smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 157293501 538022374 /nfs/dbraw/zinc/02/23/74/538022374.db2.gz SSIQUIAFODYDTG-NSHDSACASA-N 2 0 196.338 2.023 20 30 AEEDRP C=C[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 157293648 538023964 /nfs/dbraw/zinc/02/39/64/538023964.db2.gz SSIQUIAFODYDTG-LLVKDONJSA-N 2 0 196.338 2.023 20 30 AEEDRP C=CCC[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C 697860799 757433273 /nfs/dbraw/zinc/43/32/73/757433273.db2.gz WUSDCENWMMZPBL-NWDGAFQWSA-N 2 0 198.354 2.271 20 30 AEEDRP C=CCC[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C 697860801 757434383 /nfs/dbraw/zinc/43/43/83/757434383.db2.gz WUSDCENWMMZPBL-RYUDHWBXSA-N 2 0 198.354 2.271 20 30 AEEDRP C=CCC[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C 697860798 757435303 /nfs/dbraw/zinc/43/53/03/757435303.db2.gz WUSDCENWMMZPBL-NEPJUHHUSA-N 2 0 198.354 2.271 20 30 AEEDRP C=CCC[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C 697860803 757436783 /nfs/dbraw/zinc/43/67/83/757436783.db2.gz WUSDCENWMMZPBL-VXGBXAGGSA-N 2 0 198.354 2.271 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]CC[C@H](C)[NH2+]C 1118121804 757653723 /nfs/dbraw/zinc/65/37/23/757653723.db2.gz ITGMKQWIZBNEKD-NWDGAFQWSA-N 2 0 198.354 2.319 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]CC[C@@H](C)[NH2+]C 1118121809 757655231 /nfs/dbraw/zinc/65/52/31/757655231.db2.gz ITGMKQWIZBNEKD-VXGBXAGGSA-N 2 0 198.354 2.319 20 30 AEEDRP C=CCCCC[C@@H](C)[NH2+]CCCC[NH3+] 1118059224 757655844 /nfs/dbraw/zinc/65/58/44/757655844.db2.gz LSPYWCAXVASPHI-GFCCVEGCSA-N 2 0 198.354 2.450 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]CC[C@@H](C)[NH2+]C 1118121802 757659018 /nfs/dbraw/zinc/65/90/18/757659018.db2.gz ITGMKQWIZBNEKD-NEPJUHHUSA-N 2 0 198.354 2.319 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]CC[C@H](C)[NH2+]C 1118121808 757659191 /nfs/dbraw/zinc/65/91/91/757659191.db2.gz ITGMKQWIZBNEKD-RYUDHWBXSA-N 2 0 198.354 2.319 20 30 AEEDRP C=CCCCC[C@H](C)[NH2+]CCCC[NH3+] 1118059235 757662643 /nfs/dbraw/zinc/66/26/43/757662643.db2.gz LSPYWCAXVASPHI-LBPRGKRZSA-N 2 0 198.354 2.450 20 30 AEEDRP C=CC[N@@H+](CCCCCC[NH3+])C1CC1 131646209 573912958 /nfs/dbraw/zinc/91/29/58/573912958.db2.gz PGLXQHQBVGCDBW-UHFFFAOYSA-N 2 0 196.338 2.156 20 30 AEEDRP C=C(C)CC[N@@H+](CC)C1CC[NH2+]CC1 169089159 1169292507 /nfs/dbraw/zinc/29/25/07/1169292507.db2.gz DFIIUOUHGIBCQR-UHFFFAOYSA-N 2 0 196.338 2.027 20 30 AEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 386923132 1169615292 /nfs/dbraw/zinc/61/52/92/1169615292.db2.gz RVTMWULFEFCNJW-RYUDHWBXSA-N 2 0 196.338 2.073 20 30 AEEDRP C=C(C)CC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 386923133 1169615470 /nfs/dbraw/zinc/61/54/70/1169615470.db2.gz RVTMWULFEFCNJW-VXGBXAGGSA-N 2 0 196.338 2.073 20 30 AEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 386923131 1169616346 /nfs/dbraw/zinc/61/63/46/1169616346.db2.gz RVTMWULFEFCNJW-NWDGAFQWSA-N 2 0 196.338 2.073 20 30 AEEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 386923130 1169616955 /nfs/dbraw/zinc/61/69/55/1169616955.db2.gz RVTMWULFEFCNJW-NEPJUHHUSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@H](C)[NH2+]C 1325720723 1170232261 /nfs/dbraw/zinc/23/22/61/1170232261.db2.gz GTZATNIWKYVUKH-SDDRHHMPSA-N 2 0 198.354 2.175 20 30 AEEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H](C)[NH2+]C 1325720724 1170232562 /nfs/dbraw/zinc/23/25/62/1170232562.db2.gz GTZATNIWKYVUKH-SRVKXCTJSA-N 2 0 198.354 2.175 20 30 AEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](C)[NH2+]C 1325720721 1170233379 /nfs/dbraw/zinc/23/33/79/1170233379.db2.gz GTZATNIWKYVUKH-QJPTWQEYSA-N 2 0 198.354 2.175 20 30 AEEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H](C)[NH2+]C 1325720726 1170233778 /nfs/dbraw/zinc/23/37/78/1170233778.db2.gz GTZATNIWKYVUKH-TUAOUCFPSA-N 2 0 198.354 2.175 20 30 AEEDRP C=CCC[C@@H](CCC)[NH2+]CCCC[NH3+] 1331833903 1170295215 /nfs/dbraw/zinc/29/52/15/1170295215.db2.gz JMPHWGJHXBYHOT-GFCCVEGCSA-N 2 0 198.354 2.450 20 30 AEEDRP C=CCC[C@@H]([NH2+]CCCC[NH3+])C1CC1 1331837115 1170295482 /nfs/dbraw/zinc/29/54/82/1170295482.db2.gz ZLHIQGMTDYERLP-GFCCVEGCSA-N 2 0 196.338 2.060 20 30 AEEDRP C=CCC[C@H]([NH2+]CCCC[NH3+])C1CC1 1331837116 1170295917 /nfs/dbraw/zinc/29/59/17/1170295917.db2.gz ZLHIQGMTDYERLP-LBPRGKRZSA-N 2 0 196.338 2.060 20 30 AEEDRP C=CCC[C@H](CCC)[NH2+]CCCC[NH3+] 1331833910 1170296960 /nfs/dbraw/zinc/29/69/60/1170296960.db2.gz JMPHWGJHXBYHOT-LBPRGKRZSA-N 2 0 198.354 2.450 20 30 AEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)C[NH2+]C 1345483974 1170472279 /nfs/dbraw/zinc/47/22/79/1170472279.db2.gz UWOWJIBLSDCEQN-GRYCIOLGSA-N 2 0 198.354 2.032 20 30 AEEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)C[NH2+]C 1345483979 1170472433 /nfs/dbraw/zinc/47/24/33/1170472433.db2.gz UWOWJIBLSDCEQN-WOPDTQHZSA-N 2 0 198.354 2.032 20 30 AEEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)C[NH2+]C 1345483978 1170472674 /nfs/dbraw/zinc/47/26/74/1170472674.db2.gz UWOWJIBLSDCEQN-SRVKXCTJSA-N 2 0 198.354 2.032 20 30 AEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)C[NH2+]C 1345483977 1170472965 /nfs/dbraw/zinc/47/29/65/1170472965.db2.gz UWOWJIBLSDCEQN-SDDRHHMPSA-N 2 0 198.354 2.032 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]CCCC[NH3+] 1348851468 1170506022 /nfs/dbraw/zinc/50/60/22/1170506022.db2.gz AQXXEJZCGLKNNA-LLVKDONJSA-N 2 0 184.327 2.060 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]CCCC[NH3+] 1348851469 1170506196 /nfs/dbraw/zinc/50/61/96/1170506196.db2.gz AQXXEJZCGLKNNA-NSHDSACASA-N 2 0 184.327 2.060 20 30 AEEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]1 1574907673 1170684981 /nfs/dbraw/zinc/68/49/81/1170684981.db2.gz WPZRZBGNKGGRAC-RYUDHWBXSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CC[NH2+]1 1574907674 1170685684 /nfs/dbraw/zinc/68/56/84/1170685684.db2.gz WPZRZBGNKGGRAC-VXGBXAGGSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCCCC[C@H](C)[NH2+]C[C@H]1CC[NH2+]1 1574907672 1170685768 /nfs/dbraw/zinc/68/57/68/1170685768.db2.gz WPZRZBGNKGGRAC-NWDGAFQWSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CC(C)(C)CCC[NH2+]CC(C)(C)[NH3+] 1574872501 1170685805 /nfs/dbraw/zinc/68/58/05/1170685805.db2.gz NDRVZUWZOQFOCO-UHFFFAOYSA-N 2 0 198.354 2.306 20 30 AEEDRP C=CCC1([NH2+]CCC[NH3+])CCCCC1 1574900355 1170686118 /nfs/dbraw/zinc/68/61/18/1170686118.db2.gz WBWQFCRIYNJWQF-UHFFFAOYSA-N 2 0 196.338 2.204 20 30 AEEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]1 1574907671 1170686263 /nfs/dbraw/zinc/68/62/63/1170686263.db2.gz WPZRZBGNKGGRAC-NEPJUHHUSA-N 2 0 196.338 2.073 20 30 AEEDRP CCCCCCC[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 300044077 571884907 /nfs/dbraw/zinc/88/49/07/571884907.db2.gz FCSAYSXILRJVBM-VXGBXAGGSA-N 2 0 198.354 2.236 20 30 AEEDRP C=CCCC[N@@H+](C)C1CCC([NH3+])CC1 85870092 572832882 /nfs/dbraw/zinc/83/28/82/572832882.db2.gz WQEIRBBVKCGAEP-UHFFFAOYSA-N 2 0 196.338 2.154 20 30 AEEDRP CCCCCCC[NH2+][C@@H](C)C1C[NH2+]C1 686253967 573442877 /nfs/dbraw/zinc/44/28/77/573442877.db2.gz GJWCNZQTALXXQH-NSHDSACASA-N 2 0 198.354 2.154 20 30 AEEDRP CCCCCCC[NH2+][C@H](C)C1C[NH2+]C1 686253964 573443716 /nfs/dbraw/zinc/44/37/16/573443716.db2.gz GJWCNZQTALXXQH-LLVKDONJSA-N 2 0 198.354 2.154 20 30 AEEDRP C=CC[N@H+](C)CCCCCCC[NH3+] 131430907 573868964 /nfs/dbraw/zinc/86/89/64/573868964.db2.gz YIINWCCDFKMPAN-UHFFFAOYSA-N 2 0 184.327 2.013 20 30 AEEDRP C=CCC[NH2+]C1CC[NH+](C(C)C)CC1 168557174 487003022 /nfs/dbraw/zinc/00/30/22/487003022.db2.gz YFDRLCVDZRYDIO-UHFFFAOYSA-N 2 0 196.338 2.025 20 30 AEEDRP C=C(C)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 169012551 487007192 /nfs/dbraw/zinc/00/71/92/487007192.db2.gz USZASZSZLONKML-NEPJUHHUSA-N 2 0 196.338 2.025 20 30 AEEDRP C=C(C)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 169012637 487007367 /nfs/dbraw/zinc/00/73/67/487007367.db2.gz USZASZSZLONKML-RYUDHWBXSA-N 2 0 196.338 2.025 20 30 AEEDRP C=C(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 169012453 487007599 /nfs/dbraw/zinc/00/75/99/487007599.db2.gz USZASZSZLONKML-NWDGAFQWSA-N 2 0 196.338 2.025 20 30 AEEDRP C=C(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 169012358 487007661 /nfs/dbraw/zinc/00/76/61/487007661.db2.gz USZASZSZLONKML-VXGBXAGGSA-N 2 0 196.338 2.025 20 30 AEEDRP C=CCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 226032283 487045843 /nfs/dbraw/zinc/04/58/43/487045843.db2.gz CNSZYJCZVIAHLP-NWDGAFQWSA-N 2 0 196.338 2.012 20 30 AEEDRP C=C(CC)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 226873401 487053600 /nfs/dbraw/zinc/05/36/00/487053600.db2.gz ZBWGENJUTWHSFF-RYUDHWBXSA-N 2 0 196.338 2.025 20 30 AEEDRP C=C(CC)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 226873392 487053676 /nfs/dbraw/zinc/05/36/76/487053676.db2.gz ZBWGENJUTWHSFF-NWDGAFQWSA-N 2 0 196.338 2.025 20 30 AEEDRP C=CCCCCC[N@@H+](C)CCC[NH2+]C 234367550 487096027 /nfs/dbraw/zinc/09/60/27/487096027.db2.gz NIKUSMZGTYIQCJ-UHFFFAOYSA-N 2 0 198.354 2.274 20 30 AEEDRP C=CCCCCC[N@H+](C)CCC[NH3+] 234288543 487096382 /nfs/dbraw/zinc/09/63/82/487096382.db2.gz RHKXHMAXKXVJGU-UHFFFAOYSA-N 2 0 184.327 2.013 20 30 AEEDRP C=CCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 251586173 487118516 /nfs/dbraw/zinc/11/85/16/487118516.db2.gz CNSZYJCZVIAHLP-VXGBXAGGSA-N 2 0 196.338 2.012 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 252966863 487130136 /nfs/dbraw/zinc/13/01/36/487130136.db2.gz SYKFTQUNRWVJBY-SDDRHHMPSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] 252966864 487130605 /nfs/dbraw/zinc/13/06/05/487130605.db2.gz SYKFTQUNRWVJBY-SRVKXCTJSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 308521078 487202661 /nfs/dbraw/zinc/20/26/61/487202661.db2.gz XUSIPGRYEHXRNH-NEPJUHHUSA-N 2 0 196.338 2.202 20 30 AEEDRP C=CCCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 308521082 487202670 /nfs/dbraw/zinc/20/26/70/487202670.db2.gz XUSIPGRYEHXRNH-RYUDHWBXSA-N 2 0 196.338 2.202 20 30 AEEDRP C=CCCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 308521084 487202680 /nfs/dbraw/zinc/20/26/80/487202680.db2.gz XUSIPGRYEHXRNH-VXGBXAGGSA-N 2 0 196.338 2.202 20 30 AEEDRP C=CCCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 308521080 487202752 /nfs/dbraw/zinc/20/27/52/487202752.db2.gz XUSIPGRYEHXRNH-NWDGAFQWSA-N 2 0 196.338 2.202 20 30 AEEDRP C=CC(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 385061639 487254702 /nfs/dbraw/zinc/25/47/02/487254702.db2.gz UOMSHTFDMUVZSW-QWRGUYRKSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 385061643 487254851 /nfs/dbraw/zinc/25/48/51/487254851.db2.gz UOMSHTFDMUVZSW-WDEREUQCSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CC(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 385061635 487254911 /nfs/dbraw/zinc/25/49/11/487254911.db2.gz UOMSHTFDMUVZSW-MNOVXSKESA-N 2 0 196.338 2.058 20 30 AEEDRP C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 385061633 487254974 /nfs/dbraw/zinc/25/49/74/487254974.db2.gz UOMSHTFDMUVZSW-GHMZBOCLSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CC[C@H](CC)[NH2+][C@H]1CCC[C@H]([NH3+])C1 393809795 487269080 /nfs/dbraw/zinc/26/90/80/487269080.db2.gz RUJZARBOEKZOLN-SRVKXCTJSA-N 2 0 196.338 2.201 20 30 AEEDRP C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 393809792 487269195 /nfs/dbraw/zinc/26/91/95/487269195.db2.gz RUJZARBOEKZOLN-SDDRHHMPSA-N 2 0 196.338 2.201 20 30 AEEDRP C=CC[C@H](CC)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 393809797 487269329 /nfs/dbraw/zinc/26/93/29/487269329.db2.gz RUJZARBOEKZOLN-WOPDTQHZSA-N 2 0 196.338 2.201 20 30 AEEDRP C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 393809789 487269517 /nfs/dbraw/zinc/26/95/17/487269517.db2.gz RUJZARBOEKZOLN-GRYCIOLGSA-N 2 0 196.338 2.201 20 30 AEEDRP C=CCC[C@@H](C)[NH2+]CC([NH3+])(CC)CC 666753838 487334969 /nfs/dbraw/zinc/33/49/69/487334969.db2.gz VZIZPTWNLBTMFF-LLVKDONJSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCC[C@H](C)[NH2+]CC([NH3+])(CC)CC 666753841 487335340 /nfs/dbraw/zinc/33/53/40/487335340.db2.gz VZIZPTWNLBTMFF-NSHDSACASA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 666857713 487342026 /nfs/dbraw/zinc/34/20/26/487342026.db2.gz GGICTEKSMVEPFJ-VXGBXAGGSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 666853887 487342113 /nfs/dbraw/zinc/34/21/13/487342113.db2.gz HVVDIXKOFXXZML-SDDRHHMPSA-N 2 0 196.338 2.201 20 30 AEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 666857710 487342123 /nfs/dbraw/zinc/34/21/23/487342123.db2.gz GGICTEKSMVEPFJ-NEPJUHHUSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 666857711 487342245 /nfs/dbraw/zinc/34/22/45/487342245.db2.gz GGICTEKSMVEPFJ-NWDGAFQWSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 666853886 487342415 /nfs/dbraw/zinc/34/24/15/487342415.db2.gz HVVDIXKOFXXZML-QJPTWQEYSA-N 2 0 196.338 2.201 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 666853888 487342491 /nfs/dbraw/zinc/34/24/91/487342491.db2.gz HVVDIXKOFXXZML-SRVKXCTJSA-N 2 0 196.338 2.201 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 666853889 487342517 /nfs/dbraw/zinc/34/25/17/487342517.db2.gz HVVDIXKOFXXZML-TUAOUCFPSA-N 2 0 196.338 2.201 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 666857712 487342573 /nfs/dbraw/zinc/34/25/73/487342573.db2.gz GGICTEKSMVEPFJ-RYUDHWBXSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 666874205 487344212 /nfs/dbraw/zinc/34/42/12/487344212.db2.gz BZGILMRBFFRCRC-SRVKXCTJSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 666874204 487344308 /nfs/dbraw/zinc/34/43/08/487344308.db2.gz BZGILMRBFFRCRC-SDDRHHMPSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 666874206 487344466 /nfs/dbraw/zinc/34/44/66/487344466.db2.gz BZGILMRBFFRCRC-TUAOUCFPSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 666874203 487344574 /nfs/dbraw/zinc/34/45/74/487344574.db2.gz BZGILMRBFFRCRC-QJPTWQEYSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@H](C)CCCC[NH3+] 666936633 487349744 /nfs/dbraw/zinc/34/97/44/487349744.db2.gz IPXJHCZCISTQLX-NWDGAFQWSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCC[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] 666936632 487349809 /nfs/dbraw/zinc/34/98/09/487349809.db2.gz IPXJHCZCISTQLX-NEPJUHHUSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCC[C@@H](C)[NH2+][C@H](C)CCC[NH3+] 666942064 487349871 /nfs/dbraw/zinc/34/98/71/487349871.db2.gz ITHXSNCAHIODMC-GHMZBOCLSA-N 2 0 184.327 2.058 20 30 AEEDRP C=CCC[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] 666936635 487349993 /nfs/dbraw/zinc/34/99/93/487349993.db2.gz IPXJHCZCISTQLX-VXGBXAGGSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCC[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] 666942065 487350158 /nfs/dbraw/zinc/35/01/58/487350158.db2.gz ITHXSNCAHIODMC-MNOVXSKESA-N 2 0 184.327 2.058 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@H](C)CCC[NH3+] 666942067 487350233 /nfs/dbraw/zinc/35/02/33/487350233.db2.gz ITHXSNCAHIODMC-WDEREUQCSA-N 2 0 184.327 2.058 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@@H](C)CCC[NH3+] 666942066 487350254 /nfs/dbraw/zinc/35/02/54/487350254.db2.gz ITHXSNCAHIODMC-QWRGUYRKSA-N 2 0 184.327 2.058 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] 666936634 487350258 /nfs/dbraw/zinc/35/02/58/487350258.db2.gz IPXJHCZCISTQLX-RYUDHWBXSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 666963971 487350988 /nfs/dbraw/zinc/35/09/88/487350988.db2.gz SWZYPGAVEWAEKH-QJPTWQEYSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 666963973 487351206 /nfs/dbraw/zinc/35/12/06/487351206.db2.gz SWZYPGAVEWAEKH-SRVKXCTJSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 666963972 487351428 /nfs/dbraw/zinc/35/14/28/487351428.db2.gz SWZYPGAVEWAEKH-SDDRHHMPSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 666963974 487351468 /nfs/dbraw/zinc/35/14/68/487351468.db2.gz SWZYPGAVEWAEKH-TUAOUCFPSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCC[C@@H](C)[NH2+]CCC[NH2+]C1CC1 666991396 487352195 /nfs/dbraw/zinc/35/21/95/487352195.db2.gz ZBACIJDWUWQOLK-LLVKDONJSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[C@H](C)[NH2+]CCC[NH2+]C1CC1 666991397 487352067 /nfs/dbraw/zinc/35/20/67/487352067.db2.gz ZBACIJDWUWQOLK-NSHDSACASA-N 2 0 196.338 2.073 20 30 AEEDRP CCCCCCC[N@@H+]1CC[C@@H](C[NH3+])C1 100011655 582479512 /nfs/dbraw/zinc/47/95/12/582479512.db2.gz LRBPCGXGWQDSAJ-LBPRGKRZSA-N 2 0 198.354 2.237 20 30 AEEDRP CCCCCCC[N@@H+]1CC[C@H](C[NH3+])C1 100011652 582479532 /nfs/dbraw/zinc/47/95/32/582479532.db2.gz LRBPCGXGWQDSAJ-GFCCVEGCSA-N 2 0 198.354 2.237 20 30 AEEDRP C=CCC[C@H](C)[NH2+]CCC(C)(C)[NH3+] 903939057 582629747 /nfs/dbraw/zinc/62/97/47/582629747.db2.gz CDGLKNIUDXLIAE-JTQLQIEISA-N 2 0 184.327 2.058 20 30 AEEDRP C=CCC[C@@H](C)[NH2+]CCC(C)(C)[NH3+] 903939064 582630333 /nfs/dbraw/zinc/63/03/33/582630333.db2.gz CDGLKNIUDXLIAE-SNVBAGLBSA-N 2 0 184.327 2.058 20 30 AEEDRP C=C(CC)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 158114025 582663443 /nfs/dbraw/zinc/66/34/43/582663443.db2.gz ZBWGENJUTWHSFF-NEPJUHHUSA-N 2 0 196.338 2.025 20 30 AEEDRP C=C(CC)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 158113874 582663466 /nfs/dbraw/zinc/66/34/66/582663466.db2.gz ZBWGENJUTWHSFF-VXGBXAGGSA-N 2 0 196.338 2.025 20 30 AEEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@@H](C)[NH3+] 817972974 583001015 /nfs/dbraw/zinc/00/10/15/583001015.db2.gz QQBVTCJTQSRCFF-VXGBXAGGSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCCCCC[C@H](C)[NH2+]C[C@@H](C)[NH3+] 817972969 583001165 /nfs/dbraw/zinc/00/11/65/583001165.db2.gz QQBVTCJTQSRCFF-NEPJUHHUSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCCCCC[C@H](C)[NH2+]C[C@H](C)[NH3+] 817972972 583001322 /nfs/dbraw/zinc/00/13/22/583001322.db2.gz QQBVTCJTQSRCFF-RYUDHWBXSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@H](C)[NH3+] 817972971 583001835 /nfs/dbraw/zinc/00/18/35/583001835.db2.gz QQBVTCJTQSRCFF-NWDGAFQWSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCC[C@@H](C)[NH2+]CCCCCC[NH3+] 843127945 583132238 /nfs/dbraw/zinc/13/22/38/583132238.db2.gz RVXLDSDXGHCHQN-GFCCVEGCSA-N 2 0 198.354 2.450 20 30 AEEDRP C=CCC[C@H](C)[NH2+]CCCCCC[NH3+] 843127947 583132503 /nfs/dbraw/zinc/13/25/03/583132503.db2.gz RVXLDSDXGHCHQN-LBPRGKRZSA-N 2 0 198.354 2.450 20 30 AEEDRP CCCCCCCN1CCC[C@H]([NH3+])C1 108665147 583180536 /nfs/dbraw/zinc/18/05/36/583180536.db2.gz AFPMZCDPKTYKNQ-LBPRGKRZSA-N 2 0 198.354 2.380 20 30 AEEDRP CCCCCCCN1CCC[C@@H]([NH3+])C1 108665150 583180948 /nfs/dbraw/zinc/18/09/48/583180948.db2.gz AFPMZCDPKTYKNQ-GFCCVEGCSA-N 2 0 198.354 2.380 20 30 AEEDRP CCCCCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] 863539809 583310876 /nfs/dbraw/zinc/31/08/76/583310876.db2.gz LHUKMTRZUXUYJX-NWDGAFQWSA-N 2 0 198.354 2.426 20 30 AEEDRP CCCCCCC[NH2+][C@H]1CCC[C@H]1[NH3+] 863539808 583310886 /nfs/dbraw/zinc/31/08/86/583310886.db2.gz LHUKMTRZUXUYJX-NEPJUHHUSA-N 2 0 198.354 2.426 20 30 AEEDRP CCCCCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] 863539811 583311046 /nfs/dbraw/zinc/31/10/46/583311046.db2.gz LHUKMTRZUXUYJX-VXGBXAGGSA-N 2 0 198.354 2.426 20 30 AEEDRP CCCCCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] 863539810 583311187 /nfs/dbraw/zinc/31/11/87/583311187.db2.gz LHUKMTRZUXUYJX-RYUDHWBXSA-N 2 0 198.354 2.426 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 873254314 583371830 /nfs/dbraw/zinc/37/18/30/583371830.db2.gz QLCSCJXAJAZLCD-TUAOUCFPSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 873254313 583372132 /nfs/dbraw/zinc/37/21/32/583372132.db2.gz QLCSCJXAJAZLCD-GRYCIOLGSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]C[C@H]1C[C@H]([NH3+])C1 873258454 583372675 /nfs/dbraw/zinc/37/26/75/583372675.db2.gz QLCSCJXAJAZLCD-IJLUTSLNSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1C[C@H]([NH3+])C1 873258455 583373195 /nfs/dbraw/zinc/37/31/95/583373195.db2.gz QLCSCJXAJAZLCD-SRVKXCTJSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@H](C)CC[NH+](C)C 126805403 490039128 /nfs/dbraw/zinc/03/91/28/490039128.db2.gz PWNRRQQSUUTKTJ-NWDGAFQWSA-N 2 0 198.354 2.271 20 30 AEEDRP C=CCC[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C 126805605 490039147 /nfs/dbraw/zinc/03/91/47/490039147.db2.gz PWNRRQQSUUTKTJ-VXGBXAGGSA-N 2 0 198.354 2.271 20 30 AEEDRP C=CCC[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C 126805196 490039156 /nfs/dbraw/zinc/03/91/56/490039156.db2.gz PWNRRQQSUUTKTJ-NEPJUHHUSA-N 2 0 198.354 2.271 20 30 AEEDRP C=CCC[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C 126805039 490039227 /nfs/dbraw/zinc/03/92/27/490039227.db2.gz PWNRRQQSUUTKTJ-RYUDHWBXSA-N 2 0 198.354 2.271 20 30 AEEDRP CCCCCCC[N@H+](C)CCC[NH3+] 59088274 697623192 /nfs/dbraw/zinc/62/31/92/697623192.db2.gz VWHIHECLWYKUHZ-UHFFFAOYSA-N 2 0 186.343 2.237 20 30 AEEDRP CCCCCCC[NH2+]CC1([NH3+])CCC1 309159213 697776075 /nfs/dbraw/zinc/77/60/75/697776075.db2.gz YFISWWQCMPGPFG-UHFFFAOYSA-N 2 0 198.354 2.428 20 30 AEEDRP CCCCCCC[N@H+](C)C1CC([NH3+])C1 384818087 697931303 /nfs/dbraw/zinc/93/13/03/697931303.db2.gz DPKRBWLWAZUHSU-UHFFFAOYSA-N 2 0 198.354 2.378 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643470533 352958708 /nfs/dbraw/zinc/95/87/08/352958708.db2.gz HCLPITLRHAFXGZ-SDDRHHMPSA-N 2 0 196.338 2.201 20 30 AEEDRP C=CCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643486355 352962758 /nfs/dbraw/zinc/96/27/58/352962758.db2.gz FHTFWXHRMPANEB-VXGBXAGGSA-N 2 0 196.338 2.202 20 30 AEEDRP C=CCC[C@H](CCC)[NH2+]CCC[NH2+]C 643498406 352971963 /nfs/dbraw/zinc/97/19/63/352971963.db2.gz WQHUPZCBJHLLHN-LBPRGKRZSA-N 2 0 198.354 2.320 20 30 AEEDRP C=CCC[C@H](CCC)[NH2+][C@H]1CC[NH2+]C1 643499735 352974193 /nfs/dbraw/zinc/97/41/93/352974193.db2.gz HPPKBVZSADQING-RYUDHWBXSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]C[C@@H]([NH3+])CC 643540232 353002278 /nfs/dbraw/zinc/00/22/78/353002278.db2.gz IOTADXFKXZWNSL-WDEREUQCSA-N 2 0 184.327 2.058 20 30 AEEDRP C=CCC[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C 308576290 409737644 /nfs/dbraw/zinc/73/76/44/409737644.db2.gz MWIZLHRYWUBSPV-NWDGAFQWSA-N 2 0 198.354 2.128 20 30 AEEDRP C=CCC[NH+]1CCC([NH2+]C(C)C)CC1 308641117 346317060 /nfs/dbraw/zinc/31/70/60/346317060.db2.gz DTZDNZQXPAOTKW-UHFFFAOYSA-N 2 0 196.338 2.025 20 30 AEEDRP C=CCCCC[C@H](C)[NH2+]CC[C@H](C)[NH3+] 622044465 347236574 /nfs/dbraw/zinc/23/65/74/347236574.db2.gz GVCCAJMHTNIEGJ-RYUDHWBXSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCCCC[C@@H](C)[NH2+]CC[C@H](C)[NH3+] 622044464 347236703 /nfs/dbraw/zinc/23/67/03/347236703.db2.gz GVCCAJMHTNIEGJ-NWDGAFQWSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]CC[C@H](C)[NH3+] 622045559 347238078 /nfs/dbraw/zinc/23/80/78/347238078.db2.gz AASXQVBASXWNOL-QWRGUYRKSA-N 2 0 184.327 2.058 20 30 AEEDRP C=CCC[C@H]([NH2+]CC[C@H](C)[NH3+])C1CC1 622045395 347238291 /nfs/dbraw/zinc/23/82/91/347238291.db2.gz RDLIDWXSBHXERE-JQWIXIFHSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]CC[C@H](C)[NH3+] 622045560 347238608 /nfs/dbraw/zinc/23/86/08/347238608.db2.gz AASXQVBASXWNOL-WDEREUQCSA-N 2 0 184.327 2.058 20 30 AEEDRP C=CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1CC1 622045394 347238779 /nfs/dbraw/zinc/23/87/79/347238779.db2.gz RDLIDWXSBHXERE-CMPLNLGQSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCC[C@H](CCC)[NH2+]CC[C@H](C)[NH3+] 622045717 347239108 /nfs/dbraw/zinc/23/91/08/347239108.db2.gz QZWLLBSQSYCNOY-RYUDHWBXSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCC[C@@H](CCC)[NH2+]CC[C@H](C)[NH3+] 622045716 347239385 /nfs/dbraw/zinc/23/93/85/347239385.db2.gz QZWLLBSQSYCNOY-NWDGAFQWSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCC[C@@H](CCC)[NH2+][C@@H]1CC[NH2+]C1 629409329 347343010 /nfs/dbraw/zinc/34/30/10/347343010.db2.gz HPPKBVZSADQING-VXGBXAGGSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+]C1 629409328 347343023 /nfs/dbraw/zinc/34/30/23/347343023.db2.gz HPPKBVZSADQING-NWDGAFQWSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643470532 352958781 /nfs/dbraw/zinc/95/87/81/352958781.db2.gz HCLPITLRHAFXGZ-QJPTWQEYSA-N 2 0 196.338 2.201 20 30 AEEDRP C=CC[C@@H](C)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 643470571 352958797 /nfs/dbraw/zinc/95/87/97/352958797.db2.gz SCHPOVRGBDEFIX-IJLUTSLNSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CC[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 643470579 352958856 /nfs/dbraw/zinc/95/88/56/352958856.db2.gz VQMDZDCXUOSMHW-UNXYVOJBSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CC[C@@H](C)[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 643470543 352958870 /nfs/dbraw/zinc/95/88/70/352958870.db2.gz JPRDPXQGCFYWQM-UTUOFQBUSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CC[C@@H](C)[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 643470544 352958880 /nfs/dbraw/zinc/95/88/80/352958880.db2.gz JPRDPXQGCFYWQM-WOPDTQHZSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 643470572 352958913 /nfs/dbraw/zinc/95/89/13/352958913.db2.gz SCHPOVRGBDEFIX-UTUOFQBUSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 643470541 352958927 /nfs/dbraw/zinc/95/89/27/352958927.db2.gz JPRDPXQGCFYWQM-SRVKXCTJSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 643470542 352958931 /nfs/dbraw/zinc/95/89/31/352958931.db2.gz JPRDPXQGCFYWQM-TUAOUCFPSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CC[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 643470570 352958942 /nfs/dbraw/zinc/95/89/42/352958942.db2.gz SCHPOVRGBDEFIX-GRYCIOLGSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@H]1CCCCC[C@H]1[NH3+] 643470535 352958962 /nfs/dbraw/zinc/95/89/62/352958962.db2.gz HCLPITLRHAFXGZ-TUAOUCFPSA-N 2 0 196.338 2.201 20 30 AEEDRP C=CC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 643470573 352958997 /nfs/dbraw/zinc/95/89/97/352958997.db2.gz SCHPOVRGBDEFIX-WOPDTQHZSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CC[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 643470580 352959008 /nfs/dbraw/zinc/95/90/08/352959008.db2.gz VQMDZDCXUOSMHW-VOMCLLRMSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 643470534 352959204 /nfs/dbraw/zinc/95/92/04/352959204.db2.gz HCLPITLRHAFXGZ-SRVKXCTJSA-N 2 0 196.338 2.201 20 30 AEEDRP C=CCCCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 643477967 352960673 /nfs/dbraw/zinc/96/06/73/352960673.db2.gz JEEZBPQGGXXRDB-NEPJUHHUSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C1 643477968 352960797 /nfs/dbraw/zinc/96/07/97/352960797.db2.gz JEEZBPQGGXXRDB-RYUDHWBXSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCCCC[NH2+][C@H](C)C[C@H](C)[NH3+] 643481972 352961427 /nfs/dbraw/zinc/96/14/27/352961427.db2.gz SYULSYDMSPWMGN-WDEREUQCSA-N 2 0 184.327 2.058 20 30 AEEDRP C=CCCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] 643481970 352961620 /nfs/dbraw/zinc/96/16/20/352961620.db2.gz SYULSYDMSPWMGN-MNOVXSKESA-N 2 0 184.327 2.058 20 30 AEEDRP C=CCCC[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] 643478466 352961836 /nfs/dbraw/zinc/96/18/36/352961836.db2.gz VVBQMUMBSHOGEJ-SRVKXCTJSA-N 2 0 198.354 2.447 20 30 AEEDRP C=CCCCC[NH2+][C@H](C)C[C@@H](C)[NH3+] 643481969 352961853 /nfs/dbraw/zinc/96/18/53/352961853.db2.gz SYULSYDMSPWMGN-GHMZBOCLSA-N 2 0 184.327 2.058 20 30 AEEDRP C=CCCCC[NH2+][C@@H](C)C[C@H](C)[NH3+] 643481971 352961856 /nfs/dbraw/zinc/96/18/56/352961856.db2.gz SYULSYDMSPWMGN-QWRGUYRKSA-N 2 0 184.327 2.058 20 30 AEEDRP C=CCCC[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] 643478463 352961929 /nfs/dbraw/zinc/96/19/29/352961929.db2.gz VVBQMUMBSHOGEJ-GRYCIOLGSA-N 2 0 198.354 2.447 20 30 AEEDRP C=CCCC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] 643478467 352961950 /nfs/dbraw/zinc/96/19/50/352961950.db2.gz VVBQMUMBSHOGEJ-WOPDTQHZSA-N 2 0 198.354 2.447 20 30 AEEDRP C=CCCC[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] 643478465 352961954 /nfs/dbraw/zinc/96/19/54/352961954.db2.gz VVBQMUMBSHOGEJ-SDDRHHMPSA-N 2 0 198.354 2.447 20 30 AEEDRP C=CCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] 643486352 352962678 /nfs/dbraw/zinc/96/26/78/352962678.db2.gz FHTFWXHRMPANEB-NEPJUHHUSA-N 2 0 196.338 2.202 20 30 AEEDRP C=CCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643486353 352962692 /nfs/dbraw/zinc/96/26/92/352962692.db2.gz FHTFWXHRMPANEB-NWDGAFQWSA-N 2 0 196.338 2.202 20 30 AEEDRP C=CCCC[NH2+]C1CCC(C[NH3+])CC1 643486372 352962715 /nfs/dbraw/zinc/96/27/15/352962715.db2.gz HUZUUBVNPRSYKH-UHFFFAOYSA-N 2 0 196.338 2.060 20 30 AEEDRP C=CCCC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 643486382 352962787 /nfs/dbraw/zinc/96/27/87/352962787.db2.gz JFHPRAIUYYIQCG-NEPJUHHUSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 643486354 352962793 /nfs/dbraw/zinc/96/27/93/352962793.db2.gz FHTFWXHRMPANEB-RYUDHWBXSA-N 2 0 196.338 2.202 20 30 AEEDRP C=CCCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 643486383 352962849 /nfs/dbraw/zinc/96/28/49/352962849.db2.gz JFHPRAIUYYIQCG-RYUDHWBXSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CC[C@@H](CC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 643487713 352963394 /nfs/dbraw/zinc/96/33/94/352963394.db2.gz PUDMRHVBKBCJEZ-IJLUTSLNSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CC[C@@H](CC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 643487716 352963417 /nfs/dbraw/zinc/96/34/17/352963417.db2.gz PUDMRHVBKBCJEZ-UTUOFQBUSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CC[C@H](CC)[NH2+][C@H](C)C[C@H](C)[NH3+] 643487704 352963656 /nfs/dbraw/zinc/96/36/56/352963656.db2.gz KBVPLISCZBMOAN-AXFHLTTASA-N 2 0 184.327 2.057 20 30 AEEDRP C=CC[C@@H](CC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 643487715 352963474 /nfs/dbraw/zinc/96/34/74/352963474.db2.gz PUDMRHVBKBCJEZ-TUAOUCFPSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CC[C@H](CC)[NH2+][C@H](C)C[C@@H](C)[NH3+] 643487706 352963602 /nfs/dbraw/zinc/96/36/02/352963602.db2.gz KBVPLISCZBMOAN-MXWKQRLJSA-N 2 0 184.327 2.057 20 30 AEEDRP C=CC[C@H](CC)[NH2+][C@@H](C)C[C@H](C)[NH3+] 643487705 352963623 /nfs/dbraw/zinc/96/36/23/352963623.db2.gz KBVPLISCZBMOAN-DCAQKATOSA-N 2 0 184.327 2.057 20 30 AEEDRP C=CC[C@@H](CC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 643487714 352963687 /nfs/dbraw/zinc/96/36/87/352963687.db2.gz PUDMRHVBKBCJEZ-QJPTWQEYSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CC[C@H](CC)[NH2+][C@@H](C)C[C@@H](C)[NH3+] 643487707 352963710 /nfs/dbraw/zinc/96/37/10/352963710.db2.gz KBVPLISCZBMOAN-VWYCJHECSA-N 2 0 184.327 2.057 20 30 AEEDRP C=CCC(C)(C)C[NH2+][C@H]1CCC[C@H]1[NH3+] 643490860 352964143 /nfs/dbraw/zinc/96/41/43/352964143.db2.gz OKUARPPNGNUTOW-MNOVXSKESA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCC(C)(C)C[NH2+][C@H](C)C[C@H](C)[NH3+] 643490804 352964279 /nfs/dbraw/zinc/96/42/79/352964279.db2.gz DJCOHLVPIPIOFF-WDEREUQCSA-N 2 0 198.354 2.304 20 30 AEEDRP C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] 643490862 352964327 /nfs/dbraw/zinc/96/43/27/352964327.db2.gz OKUARPPNGNUTOW-WDEREUQCSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] 643490859 352964503 /nfs/dbraw/zinc/96/45/03/352964503.db2.gz OKUARPPNGNUTOW-GHMZBOCLSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCC(C)(C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] 643490803 352964559 /nfs/dbraw/zinc/96/45/59/352964559.db2.gz DJCOHLVPIPIOFF-QWRGUYRKSA-N 2 0 198.354 2.304 20 30 AEEDRP C=CCC(C)(C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] 643490801 352964738 /nfs/dbraw/zinc/96/47/38/352964738.db2.gz DJCOHLVPIPIOFF-GHMZBOCLSA-N 2 0 198.354 2.304 20 30 AEEDRP C=CCC(C)(C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 643490802 352964743 /nfs/dbraw/zinc/96/47/43/352964743.db2.gz DJCOHLVPIPIOFF-MNOVXSKESA-N 2 0 198.354 2.304 20 30 AEEDRP C=CCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] 643490861 352964771 /nfs/dbraw/zinc/96/47/71/352964771.db2.gz OKUARPPNGNUTOW-QWRGUYRKSA-N 2 0 196.338 2.058 20 30 AEEDRP C=C(C)CC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 643492525 352966025 /nfs/dbraw/zinc/96/60/25/352966025.db2.gz JAKPOVDBHDBRPJ-RYUDHWBXSA-N 2 0 196.338 2.073 20 30 AEEDRP C=C(C)CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] 643492551 352966198 /nfs/dbraw/zinc/96/61/98/352966198.db2.gz MXSQFOBJWLBVCH-NEPJUHHUSA-N 2 0 196.338 2.202 20 30 AEEDRP C=C(C)CC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 643492524 352966243 /nfs/dbraw/zinc/96/62/43/352966243.db2.gz JAKPOVDBHDBRPJ-NEPJUHHUSA-N 2 0 196.338 2.073 20 30 AEEDRP C=C(C)CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643492552 352966390 /nfs/dbraw/zinc/96/63/90/352966390.db2.gz MXSQFOBJWLBVCH-NWDGAFQWSA-N 2 0 196.338 2.202 20 30 AEEDRP C=C(C)CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643492554 352966414 /nfs/dbraw/zinc/96/64/14/352966414.db2.gz MXSQFOBJWLBVCH-VXGBXAGGSA-N 2 0 196.338 2.202 20 30 AEEDRP C=C(C)CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 643492553 352966472 /nfs/dbraw/zinc/96/64/72/352966472.db2.gz MXSQFOBJWLBVCH-RYUDHWBXSA-N 2 0 196.338 2.202 20 30 AEEDRP C=C(C)CC[NH2+]C1CCC(C[NH3+])CC1 643492679 352966503 /nfs/dbraw/zinc/96/65/03/352966503.db2.gz YLJNSKPPCVIQPR-UHFFFAOYSA-N 2 0 196.338 2.060 20 30 AEEDRP C=C(CC)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 643493471 352967076 /nfs/dbraw/zinc/96/70/76/352967076.db2.gz HOLSQGFUZIMTHS-RYUDHWBXSA-N 2 0 196.338 2.202 20 30 AEEDRP C=C(CC)C[NH2+]C1CCC(C[NH3+])CC1 643493544 352967158 /nfs/dbraw/zinc/96/71/58/352967158.db2.gz XLSCEBRVUZJYKG-UHFFFAOYSA-N 2 0 196.338 2.060 20 30 AEEDRP C=C(CC)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] 643493469 352967408 /nfs/dbraw/zinc/96/74/08/352967408.db2.gz HOLSQGFUZIMTHS-NEPJUHHUSA-N 2 0 196.338 2.202 20 30 AEEDRP C=C(CC)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643493470 352967437 /nfs/dbraw/zinc/96/74/37/352967437.db2.gz HOLSQGFUZIMTHS-NWDGAFQWSA-N 2 0 196.338 2.202 20 30 AEEDRP C=C(CC)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643493472 352967549 /nfs/dbraw/zinc/96/75/49/352967549.db2.gz HOLSQGFUZIMTHS-VXGBXAGGSA-N 2 0 196.338 2.202 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]C1CC[NH2+]CC1 643496165 352969060 /nfs/dbraw/zinc/96/90/60/352969060.db2.gz IHOZKSCWBPJHER-NSHDSACASA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]C1CC[NH2+]CC1 643496164 352969248 /nfs/dbraw/zinc/96/92/48/352969248.db2.gz IHOZKSCWBPJHER-LLVKDONJSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[C@@H](CCC)[NH2+]CCC[NH2+]C 643498405 352971900 /nfs/dbraw/zinc/97/19/00/352971900.db2.gz WQHUPZCBJHLLHN-GFCCVEGCSA-N 2 0 198.354 2.320 20 30 AEEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCC[NH2+]CC 643498896 352972757 /nfs/dbraw/zinc/97/27/57/352972757.db2.gz UIADYTCRAUKHLI-NEPJUHHUSA-N 2 0 198.354 2.176 20 30 AEEDRP C=CCCCC[C@H](C)[NH2+]CCC[NH2+]C 643498678 352972924 /nfs/dbraw/zinc/97/29/24/352972924.db2.gz YAMILCAXFWQCBM-LBPRGKRZSA-N 2 0 198.354 2.320 20 30 AEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCC[NH2+]CC 643498897 352972942 /nfs/dbraw/zinc/97/29/42/352972942.db2.gz UIADYTCRAUKHLI-NWDGAFQWSA-N 2 0 198.354 2.176 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]CCC[NH2+]CC 643498833 352973072 /nfs/dbraw/zinc/97/30/72/352973072.db2.gz ITFXJXPXVTZLDE-GFCCVEGCSA-N 2 0 198.354 2.320 20 30 AEEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCC[NH2+]CC 643498899 352973104 /nfs/dbraw/zinc/97/31/04/352973104.db2.gz UIADYTCRAUKHLI-VXGBXAGGSA-N 2 0 198.354 2.176 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]CCC[NH2+]CC 643498834 352973169 /nfs/dbraw/zinc/97/31/69/352973169.db2.gz ITFXJXPXVTZLDE-LBPRGKRZSA-N 2 0 198.354 2.320 20 30 AEEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCC[NH2+]CC 643498898 352973206 /nfs/dbraw/zinc/97/32/06/352973206.db2.gz UIADYTCRAUKHLI-RYUDHWBXSA-N 2 0 198.354 2.176 20 30 AEEDRP C=CCCCC[C@@H](C)[NH2+]CCC[NH2+]C 643498677 352973286 /nfs/dbraw/zinc/97/32/86/352973286.db2.gz YAMILCAXFWQCBM-GFCCVEGCSA-N 2 0 198.354 2.320 20 30 AEEDRP C=CCC[C@@H](CCC)[NH2+][C@H]1CC[NH2+]C1 643499724 352973896 /nfs/dbraw/zinc/97/38/96/352973896.db2.gz HPPKBVZSADQING-NEPJUHHUSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCC[NH2+]1 643505715 352978741 /nfs/dbraw/zinc/97/87/41/352978741.db2.gz XNBMODMNKYAOPL-NEPJUHHUSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]C[C@H]1CCC[NH2+]1 643505718 352978862 /nfs/dbraw/zinc/97/88/62/352978862.db2.gz XNBMODMNKYAOPL-VXGBXAGGSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[NH2+]1 643505717 352979243 /nfs/dbraw/zinc/97/92/43/352979243.db2.gz XNBMODMNKYAOPL-RYUDHWBXSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[NH2+]1 643505716 352979273 /nfs/dbraw/zinc/97/92/73/352979273.db2.gz XNBMODMNKYAOPL-NWDGAFQWSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[C@@H](C)[NH2+]CCC[NH2+]C(C)C 643508441 352980965 /nfs/dbraw/zinc/98/09/65/352980965.db2.gz KCYBGKFNGNSZEA-GFCCVEGCSA-N 2 0 198.354 2.319 20 30 AEEDRP C=CCC[C@H](C)[NH2+]CCC[NH2+]C(C)C 643508442 352981136 /nfs/dbraw/zinc/98/11/36/352981136.db2.gz KCYBGKFNGNSZEA-LBPRGKRZSA-N 2 0 198.354 2.319 20 30 AEEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C 643511664 352982399 /nfs/dbraw/zinc/98/23/99/352982399.db2.gz YFRPLHMYEYMNRE-SDDRHHMPSA-N 2 0 198.354 2.160 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]C[C@@H]([NH3+])C(C)C 643511600 352982418 /nfs/dbraw/zinc/98/24/18/352982418.db2.gz IXKDJPKEJHXCDD-VXGBXAGGSA-N 2 0 198.354 2.304 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]C[C@@H]([NH3+])C(C)C 643511598 352982503 /nfs/dbraw/zinc/98/25/03/352982503.db2.gz IXKDJPKEJHXCDD-NWDGAFQWSA-N 2 0 198.354 2.304 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]C[C@H]([NH3+])C(C)C 643511599 352982519 /nfs/dbraw/zinc/98/25/19/352982519.db2.gz IXKDJPKEJHXCDD-RYUDHWBXSA-N 2 0 198.354 2.304 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]C[C@H]([NH3+])C(C)C 643511597 352982759 /nfs/dbraw/zinc/98/27/59/352982759.db2.gz IXKDJPKEJHXCDD-NEPJUHHUSA-N 2 0 198.354 2.304 20 30 AEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C 643511666 352982781 /nfs/dbraw/zinc/98/27/81/352982781.db2.gz YFRPLHMYEYMNRE-TUAOUCFPSA-N 2 0 198.354 2.160 20 30 AEEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C 643511665 352982964 /nfs/dbraw/zinc/98/29/64/352982964.db2.gz YFRPLHMYEYMNRE-SRVKXCTJSA-N 2 0 198.354 2.160 20 30 AEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C 643511663 352983039 /nfs/dbraw/zinc/98/30/39/352983039.db2.gz YFRPLHMYEYMNRE-QJPTWQEYSA-N 2 0 198.354 2.160 20 30 AEEDRP C=CCC[C@H](CCC)[NH2+]CC(C)(C)[NH3+] 643513095 352984160 /nfs/dbraw/zinc/98/41/60/352984160.db2.gz AQSBHSVQVRZUOW-NSHDSACASA-N 2 0 198.354 2.448 20 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643540596 353003118 /nfs/dbraw/zinc/00/31/18/353003118.db2.gz XQRIOXJQRWZALZ-VXGBXAGGSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCC[C@@H]([NH2+]C[C@@H]([NH3+])CC)C1CC1 643540594 353003122 /nfs/dbraw/zinc/00/31/22/353003122.db2.gz XQRIOXJQRWZALZ-NWDGAFQWSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])CC 643540816 353003142 /nfs/dbraw/zinc/00/31/42/353003142.db2.gz XGLULJBCKOYGNJ-NEPJUHHUSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H]([NH3+])CC 643540819 353003245 /nfs/dbraw/zinc/00/32/45/353003245.db2.gz XGLULJBCKOYGNJ-VXGBXAGGSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCC[C@H]([NH2+]C[C@@H]([NH3+])CC)C1CC1 643540595 353003297 /nfs/dbraw/zinc/00/32/97/353003297.db2.gz XQRIOXJQRWZALZ-RYUDHWBXSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 169108948 371684973 /nfs/dbraw/zinc/68/49/73/371684973.db2.gz SYKFTQUNRWVJBY-QJPTWQEYSA-N 2 0 196.338 2.058 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 169109115 371685016 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/nfs/dbraw/zinc/50/67/55/375506755.db2.gz PUDMRHVBKBCJEZ-WOPDTQHZSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400557376 375509086 /nfs/dbraw/zinc/50/90/86/375509086.db2.gz ZPILOOZWTWVEPW-VXGBXAGGSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400557375 375509473 /nfs/dbraw/zinc/50/94/73/375509473.db2.gz ZPILOOZWTWVEPW-RYUDHWBXSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400557374 375509633 /nfs/dbraw/zinc/50/96/33/375509633.db2.gz ZPILOOZWTWVEPW-NWDGAFQWSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400557372 375509683 /nfs/dbraw/zinc/50/96/83/375509683.db2.gz ZPILOOZWTWVEPW-NEPJUHHUSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCC[N@@H+](CCC)C1CC[NH2+]CC1 70593211 409430192 /nfs/dbraw/zinc/43/01/92/409430192.db2.gz WMOJCKBKMSZWOU-UHFFFAOYSA-N 2 0 196.338 2.027 20 30 AEEDRP C=CCCC[N@H+]1CCCC[C@H]1CC[NH3+] 70593354 409430208 /nfs/dbraw/zinc/43/02/08/409430208.db2.gz GBJONSNATBKCSY-LBPRGKRZSA-N 2 0 196.338 2.156 20 30 AEEDRP C=CCC[NH2+]C1CC[NH+](CCC)CC1 70592027 409430488 /nfs/dbraw/zinc/43/04/88/409430488.db2.gz UVKLFUVIJSDGFI-UHFFFAOYSA-N 2 0 196.338 2.027 20 30 AEEDRP C=CCCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 70593370 409430551 /nfs/dbraw/zinc/43/05/51/409430551.db2.gz HBIWKKVKNRBROD-VXGBXAGGSA-N 2 0 196.338 2.012 20 30 AEEDRP C=CCCC[NH+]1CCC([C@H](C)[NH3+])CC1 70593321 409430612 /nfs/dbraw/zinc/43/06/12/409430612.db2.gz STADNILNDKKGKD-NSHDSACASA-N 2 0 196.338 2.012 20 30 AEEDRP C=CCCC[N@H+]1CCCC[C@@H]1CC[NH3+] 70593353 409430872 /nfs/dbraw/zinc/43/08/72/409430872.db2.gz GBJONSNATBKCSY-GFCCVEGCSA-N 2 0 196.338 2.156 20 30 AEEDRP C=CCCC[NH+]1CCC(CC[NH3+])CC1 70593389 409430923 /nfs/dbraw/zinc/43/09/23/409430923.db2.gz SYFHZXWEOGWSPE-UHFFFAOYSA-N 2 0 196.338 2.013 20 30 AEEDRP C=CCCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 70593372 409430960 /nfs/dbraw/zinc/43/09/60/409430960.db2.gz HBIWKKVKNRBROD-NEPJUHHUSA-N 2 0 196.338 2.012 20 30 AEEDRP C=CCCC[NH+]1CCC([C@@H](C)[NH3+])CC1 70593322 409431369 /nfs/dbraw/zinc/43/13/69/409431369.db2.gz STADNILNDKKGKD-LLVKDONJSA-N 2 0 196.338 2.012 20 30 AEEDRP C=CCCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 70593369 409431554 /nfs/dbraw/zinc/43/15/54/409431554.db2.gz HBIWKKVKNRBROD-NWDGAFQWSA-N 2 0 196.338 2.012 20 30 AEEDRP C=CCCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 70593371 409431592 /nfs/dbraw/zinc/43/15/92/409431592.db2.gz HBIWKKVKNRBROD-RYUDHWBXSA-N 2 0 196.338 2.012 20 30 AEEDRP C=CCCC[N@H+]1CCC[C@@H](CC[NH3+])C1 70593366 409431728 /nfs/dbraw/zinc/43/17/28/409431728.db2.gz ZXFWQFBOIKJTHC-LBPRGKRZSA-N 2 0 196.338 2.013 20 30 AEEDRP C=CCCC[N@H+]1CCC[C@H](CC[NH3+])C1 70593365 409431764 /nfs/dbraw/zinc/43/17/64/409431764.db2.gz ZXFWQFBOIKJTHC-GFCCVEGCSA-N 2 0 196.338 2.013 20 30 AEEDRP CCCCCCC[NH+]1CCC([NH3+])CC1 102321331 409449137 /nfs/dbraw/zinc/44/91/37/409449137.db2.gz DLMGWASIYHDLJC-UHFFFAOYSA-N 2 0 198.354 2.380 20 30 AEEDRP C=CCC[C@@H](C)[NH2+]CC1([NH3+])CCCC1 656789743 409451682 /nfs/dbraw/zinc/45/16/82/409451682.db2.gz WTWANGRMGKTFFI-LLVKDONJSA-N 2 0 196.338 2.202 20 30 AEEDRP C=CCC[C@H](C)[NH2+]CC1([NH3+])CCCC1 656789744 409452227 /nfs/dbraw/zinc/45/22/27/409452227.db2.gz WTWANGRMGKTFFI-NSHDSACASA-N 2 0 196.338 2.202 20 30 AEEDRP C=CCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 122820194 409467308 /nfs/dbraw/zinc/46/73/08/409467308.db2.gz CNSZYJCZVIAHLP-RYUDHWBXSA-N 2 0 196.338 2.012 20 30 AEEDRP C=CCCC[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 122819993 409467539 /nfs/dbraw/zinc/46/75/39/409467539.db2.gz CNSZYJCZVIAHLP-NEPJUHHUSA-N 2 0 196.338 2.012 20 30 AEEDRP C=CCC[C@H](C)[NH2+]C1CCC([NH3+])CC1 131990065 409488669 /nfs/dbraw/zinc/48/86/69/409488669.db2.gz QCCZWCYWMUDRKR-UNXYVOJBSA-N 2 0 196.338 2.201 20 30 AEEDRP C=CCC[C@@H](C)[NH2+]C1CCC([NH3+])CC1 131990267 409489019 /nfs/dbraw/zinc/48/90/19/409489019.db2.gz QCCZWCYWMUDRKR-VOMCLLRMSA-N 2 0 196.338 2.201 20 30 AEEDRP C=CCCC[N@@H+](C)CC[C@H]([NH3+])C(C)C 133301030 409494235 /nfs/dbraw/zinc/49/42/35/409494235.db2.gz ADNLZNAWKFSFOL-LBPRGKRZSA-N 2 0 198.354 2.258 20 30 AEEDRP C=CCCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C 133300823 409495586 /nfs/dbraw/zinc/49/55/86/409495586.db2.gz ADNLZNAWKFSFOL-GFCCVEGCSA-N 2 0 198.354 2.258 20 30 AEEDRP C=CCCC[NH2+][C@@H](C)CCCC[NH3+] 308176508 409691552 /nfs/dbraw/zinc/69/15/52/409691552.db2.gz AWLLEWBPULJFHE-NSHDSACASA-N 2 0 184.327 2.060 20 30 AEEDRP C=CCCC[NH2+][C@H](C)CCCC[NH3+] 308176506 409692274 /nfs/dbraw/zinc/69/22/74/409692274.db2.gz AWLLEWBPULJFHE-LLVKDONJSA-N 2 0 184.327 2.060 20 30 AEEDRP C=CC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] 662317276 409713798 /nfs/dbraw/zinc/71/37/98/409713798.db2.gz PNQWHXYFVBKPGQ-VXGBXAGGSA-N 2 0 196.338 2.012 20 30 AEEDRP C=CCCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] 308521143 409729543 /nfs/dbraw/zinc/72/95/43/409729543.db2.gz XXKAHBBTKUJQNL-NWDGAFQWSA-N 2 0 196.338 2.060 20 30 AEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 308517693 409729576 /nfs/dbraw/zinc/72/95/76/409729576.db2.gz GBTKTDMGGUFWJT-VXGBXAGGSA-N 2 0 196.338 2.060 20 30 AEEDRP C=CCCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] 308521144 409729624 /nfs/dbraw/zinc/72/96/24/409729624.db2.gz XXKAHBBTKUJQNL-RYUDHWBXSA-N 2 0 196.338 2.060 20 30 AEEDRP C=CCCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] 308521142 409729767 /nfs/dbraw/zinc/72/97/67/409729767.db2.gz XXKAHBBTKUJQNL-NEPJUHHUSA-N 2 0 196.338 2.060 20 30 AEEDRP C=CCCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 308521145 409729903 /nfs/dbraw/zinc/72/99/03/409729903.db2.gz XXKAHBBTKUJQNL-VXGBXAGGSA-N 2 0 196.338 2.060 20 30 AEEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 308517691 409730564 /nfs/dbraw/zinc/73/05/64/409730564.db2.gz GBTKTDMGGUFWJT-NWDGAFQWSA-N 2 0 196.338 2.060 20 30 AEEDRP C=CCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] 308517692 409731287 /nfs/dbraw/zinc/73/12/87/409731287.db2.gz GBTKTDMGGUFWJT-RYUDHWBXSA-N 2 0 196.338 2.060 20 30 AEEDRP C=CCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 308517690 409731478 /nfs/dbraw/zinc/73/14/78/409731478.db2.gz GBTKTDMGGUFWJT-NEPJUHHUSA-N 2 0 196.338 2.060 20 30 AEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C 308576293 409736103 /nfs/dbraw/zinc/73/61/03/409736103.db2.gz MWIZLHRYWUBSPV-VXGBXAGGSA-N 2 0 198.354 2.128 20 30 AEEDRP C=CCC[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C 308576292 409737072 /nfs/dbraw/zinc/73/70/72/409737072.db2.gz MWIZLHRYWUBSPV-RYUDHWBXSA-N 2 0 198.354 2.128 20 30 AEEDRP C=CCC[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C 308576289 409737331 /nfs/dbraw/zinc/73/73/31/409737331.db2.gz MWIZLHRYWUBSPV-NEPJUHHUSA-N 2 0 198.354 2.128 20 30 AEEDRP C=CC[N@@H+](CCC[NH3+])CC1CCCC1 308830324 409753193 /nfs/dbraw/zinc/75/31/93/409753193.db2.gz JEGSUJHHVCXXKY-UHFFFAOYSA-N 2 0 196.338 2.013 20 30 AEEDRP C=CCCCCC[N@@H+](C)CC(C)(C)[NH3+] 309023007 409765841 /nfs/dbraw/zinc/76/58/41/409765841.db2.gz YKLUFUSFYQAMOT-UHFFFAOYSA-N 2 0 198.354 2.402 20 30 AEEDRP C=C(CC)C[NH2+][C@H](C)CCCC[NH3+] 313491240 409776889 /nfs/dbraw/zinc/77/68/89/409776889.db2.gz YMILBWRYXSJVEA-LLVKDONJSA-N 2 0 184.327 2.060 20 30 AEEDRP C=C(CC)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 313488753 409777967 /nfs/dbraw/zinc/77/79/67/409777967.db2.gz AOLYHICYAOONLT-VXGBXAGGSA-N 2 0 196.338 2.060 20 30 AEEDRP C=C(CC)C[NH2+][C@@H](C)CCCC[NH3+] 313491241 409778589 /nfs/dbraw/zinc/77/85/89/409778589.db2.gz YMILBWRYXSJVEA-NSHDSACASA-N 2 0 184.327 2.060 20 30 AEEDRP C=C(CC)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 313488747 409778757 /nfs/dbraw/zinc/77/87/57/409778757.db2.gz AOLYHICYAOONLT-NEPJUHHUSA-N 2 0 196.338 2.060 20 30 AEEDRP C=C(CC)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] 313488751 409779216 /nfs/dbraw/zinc/77/92/16/409779216.db2.gz AOLYHICYAOONLT-RYUDHWBXSA-N 2 0 196.338 2.060 20 30 AEEDRP C=C(CC)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 313488748 409779509 /nfs/dbraw/zinc/77/95/09/409779509.db2.gz AOLYHICYAOONLT-NWDGAFQWSA-N 2 0 196.338 2.060 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] 379346820 409829593 /nfs/dbraw/zinc/82/95/93/409829593.db2.gz GLMQPNZCUIJHNL-QWRGUYRKSA-N 2 0 184.327 2.058 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@H](C)CCCC[NH3+] 379346821 409829621 /nfs/dbraw/zinc/82/96/21/409829621.db2.gz GLMQPNZCUIJHNL-WDEREUQCSA-N 2 0 184.327 2.058 20 30 AEEDRP C=CC[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] 379346819 409830128 /nfs/dbraw/zinc/83/01/28/409830128.db2.gz GLMQPNZCUIJHNL-MNOVXSKESA-N 2 0 184.327 2.058 20 30 AEEDRP C=CC[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] 379346818 409830230 /nfs/dbraw/zinc/83/02/30/409830230.db2.gz GLMQPNZCUIJHNL-GHMZBOCLSA-N 2 0 184.327 2.058 20 30 AEEDRP C=CCCCC[NH2+][C@@H](C)CCCC[NH3+] 379534186 409849493 /nfs/dbraw/zinc/84/94/93/409849493.db2.gz KRMFVSKWBARQGW-LBPRGKRZSA-N 2 0 198.354 2.450 20 30 AEEDRP C=CCCCC[NH2+][C@H](C)CCCC[NH3+] 379534182 409850548 /nfs/dbraw/zinc/85/05/48/409850548.db2.gz KRMFVSKWBARQGW-GFCCVEGCSA-N 2 0 198.354 2.450 20 30 AEEDRP C=CCC[C@H](CCC)[NH2+][C@H](C)C[NH2+]C 665295493 409871426 /nfs/dbraw/zinc/87/14/26/409871426.db2.gz FBNTVASCEAPKPE-NEPJUHHUSA-N 2 0 198.354 2.319 20 30 AEEDRP C=CCC[C@@H](CCC)[NH2+][C@H](C)C[NH2+]C 665295496 409871547 /nfs/dbraw/zinc/87/15/47/409871547.db2.gz FBNTVASCEAPKPE-VXGBXAGGSA-N 2 0 198.354 2.319 20 30 AEEDRP C=CCC[C@H](CCC)[NH2+][C@@H](C)C[NH2+]C 665295495 409872498 /nfs/dbraw/zinc/87/24/98/409872498.db2.gz FBNTVASCEAPKPE-RYUDHWBXSA-N 2 0 198.354 2.319 20 30 AEEDRP C=CCC[C@@H](CCC)[NH2+][C@@H](C)C[NH2+]C 665295494 409872897 /nfs/dbraw/zinc/87/28/97/409872897.db2.gz FBNTVASCEAPKPE-NWDGAFQWSA-N 2 0 198.354 2.319 20 30 AEEDRP C=CCCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 385983436 409935201 /nfs/dbraw/zinc/93/52/01/409935201.db2.gz CYBMLJWMBUFVGQ-VXGBXAGGSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CC(C)(C)C[NH2+][C@@H](C)CCCC[NH3+] 385031674 409924357 /nfs/dbraw/zinc/92/43/57/409924357.db2.gz KXBDGDMQKUSNIT-NSHDSACASA-N 2 0 198.354 2.306 20 30 AEEDRP C=CC(C)(C)C[NH2+][C@H](C)CCCC[NH3+] 385031673 409924743 /nfs/dbraw/zinc/92/47/43/409924743.db2.gz KXBDGDMQKUSNIT-LLVKDONJSA-N 2 0 198.354 2.306 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 386150657 409932816 /nfs/dbraw/zinc/93/28/16/409932816.db2.gz SCHPOVRGBDEFIX-SRVKXCTJSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CCCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 385983433 409933328 /nfs/dbraw/zinc/93/33/28/409933328.db2.gz CYBMLJWMBUFVGQ-NEPJUHHUSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 386150660 409933604 /nfs/dbraw/zinc/93/36/04/409933604.db2.gz SCHPOVRGBDEFIX-TUAOUCFPSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 385983435 409934288 /nfs/dbraw/zinc/93/42/88/409934288.db2.gz CYBMLJWMBUFVGQ-RYUDHWBXSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 386150656 409934391 /nfs/dbraw/zinc/93/43/91/409934391.db2.gz SCHPOVRGBDEFIX-SDDRHHMPSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CC[C@H](C)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 386150655 409934502 /nfs/dbraw/zinc/93/45/02/409934502.db2.gz SCHPOVRGBDEFIX-QJPTWQEYSA-N 2 0 196.338 2.071 20 30 AEEDRP C=CCCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 385983434 409935458 /nfs/dbraw/zinc/93/54/58/409935458.db2.gz CYBMLJWMBUFVGQ-NWDGAFQWSA-N 2 0 196.338 2.073 20 30 AEEDRP C=C(C)CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 386798388 409936850 /nfs/dbraw/zinc/93/68/50/409936850.db2.gz BEESCFXMRZRAGE-NEPJUHHUSA-N 2 0 196.338 2.060 20 30 AEEDRP C=C(C)CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] 386798392 409936906 /nfs/dbraw/zinc/93/69/06/409936906.db2.gz BEESCFXMRZRAGE-RYUDHWBXSA-N 2 0 196.338 2.060 20 30 AEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 386798393 409938397 /nfs/dbraw/zinc/93/83/97/409938397.db2.gz BEESCFXMRZRAGE-VXGBXAGGSA-N 2 0 196.338 2.060 20 30 AEEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 386798390 409938971 /nfs/dbraw/zinc/93/89/71/409938971.db2.gz BEESCFXMRZRAGE-NWDGAFQWSA-N 2 0 196.338 2.060 20 30 AEEDRP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 386958437 409940313 /nfs/dbraw/zinc/94/03/13/409940313.db2.gz YRVRMKOTKFKAEP-NEPJUHHUSA-N 2 0 196.338 2.073 20 30 AEEDRP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 386958440 409940801 /nfs/dbraw/zinc/94/08/01/409940801.db2.gz YRVRMKOTKFKAEP-VXGBXAGGSA-N 2 0 196.338 2.073 20 30 AEEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 386958439 409940924 /nfs/dbraw/zinc/94/09/24/409940924.db2.gz YRVRMKOTKFKAEP-RYUDHWBXSA-N 2 0 196.338 2.073 20 30 AEEDRP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 386958438 409941462 /nfs/dbraw/zinc/94/14/62/409941462.db2.gz YRVRMKOTKFKAEP-NWDGAFQWSA-N 2 0 196.338 2.073 20 30 AEEDRP C=C(C)CC[NH2+]C1CC[NH+](CC)CC1 387425742 409943582 /nfs/dbraw/zinc/94/35/82/409943582.db2.gz OZWXKDKTNBRKON-UHFFFAOYSA-N 2 0 196.338 2.027 20 30 AEEDRP C=C(CC)C[NH2+]C1CC[NH+](CC)CC1 387445905 409943934 /nfs/dbraw/zinc/94/39/34/409943934.db2.gz SZOMIDGEZGVHQI-UHFFFAOYSA-N 2 0 196.338 2.027 20 30 AEEDRP C=CC[C@@H](CC)[NH2+][C@@H](C)CCCC[NH3+] 393789496 409994324 /nfs/dbraw/zinc/99/43/24/409994324.db2.gz CMPYPBAFVJWCRW-NWDGAFQWSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CC[C@H](CC)[NH2+][C@H](C)CCCC[NH3+] 393789341 409992577 /nfs/dbraw/zinc/99/25/77/409992577.db2.gz CMPYPBAFVJWCRW-NEPJUHHUSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CC[C@@H](CC)[NH2+][C@H](C)CCCC[NH3+] 393789499 409992988 /nfs/dbraw/zinc/99/29/88/409992988.db2.gz CMPYPBAFVJWCRW-VXGBXAGGSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CC[C@H](CC)[NH2+][C@@H](C)CCCC[NH3+] 393789497 409994072 /nfs/dbraw/zinc/99/40/72/409994072.db2.gz CMPYPBAFVJWCRW-RYUDHWBXSA-N 2 0 198.354 2.448 20 30 AEEDRP C=C(C)CC[NH2+][C@@H](C)CCCC[NH3+] 395641266 410005615 /nfs/dbraw/zinc/00/56/15/410005615.db2.gz KRKTWQBUKHDGRT-NSHDSACASA-N 2 0 184.327 2.060 20 30 AEEDRP C=C(C)CC[NH2+][C@H](C)CCCC[NH3+] 395641265 410006275 /nfs/dbraw/zinc/00/62/75/410006275.db2.gz KRKTWQBUKHDGRT-LLVKDONJSA-N 2 0 184.327 2.060 20 30 AEEDRP C=CCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] 404284845 410042045 /nfs/dbraw/zinc/04/20/45/410042045.db2.gz HJJAQZPFHMHXKM-NEPJUHHUSA-N 2 0 196.338 2.012 20 30 AEEDRP C=CCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] 404284848 410042062 /nfs/dbraw/zinc/04/20/62/410042062.db2.gz HJJAQZPFHMHXKM-RYUDHWBXSA-N 2 0 196.338 2.012 20 30 AEEDRP C=CCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] 404284846 410042669 /nfs/dbraw/zinc/04/26/69/410042669.db2.gz HJJAQZPFHMHXKM-NWDGAFQWSA-N 2 0 196.338 2.012 20 30 AEEDRP C=CCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] 404284850 410042889 /nfs/dbraw/zinc/04/28/89/410042889.db2.gz HJJAQZPFHMHXKM-VXGBXAGGSA-N 2 0 196.338 2.012 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]CCC(C)(C)[NH3+] 925740304 630050167 /nfs/dbraw/zinc/05/01/67/630050167.db2.gz IDDINDSSCFXBCF-NSHDSACASA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]CCC(C)(C)[NH3+] 925740303 630050285 /nfs/dbraw/zinc/05/02/85/630050285.db2.gz IDDINDSSCFXBCF-LLVKDONJSA-N 2 0 198.354 2.448 20 30 AEEDRP C=CCCCC[NH2+][C@@H]1CC[NH2+]C1(C)C 925642137 631046894 /nfs/dbraw/zinc/04/68/94/631046894.db2.gz QLRGIQZDQYTSOO-LLVKDONJSA-N 2 0 196.338 2.073 20 30 AEEDRP C=CCCCC[NH2+][C@H]1CC[NH2+]C1(C)C 925642138 631047540 /nfs/dbraw/zinc/04/75/40/631047540.db2.gz QLRGIQZDQYTSOO-NSHDSACASA-N 2 0 196.338 2.073 20 30 AEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCC(C)(C)[NH3+] 925741804 631052127 /nfs/dbraw/zinc/05/21/27/631052127.db2.gz NHXYMKXOBGSJOU-WDEREUQCSA-N 2 0 198.354 2.304 20 30 AEEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCC(C)(C)[NH3+] 925741803 631052237 /nfs/dbraw/zinc/05/22/37/631052237.db2.gz NHXYMKXOBGSJOU-QWRGUYRKSA-N 2 0 198.354 2.304 20 30 AEEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCC(C)(C)[NH3+] 925741802 631053939 /nfs/dbraw/zinc/05/39/39/631053939.db2.gz NHXYMKXOBGSJOU-MNOVXSKESA-N 2 0 198.354 2.304 20 30 AEEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCC(C)(C)[NH3+] 925741801 631054743 /nfs/dbraw/zinc/05/47/43/631054743.db2.gz NHXYMKXOBGSJOU-GHMZBOCLSA-N 2 0 198.354 2.304 20 30 AEEDRP CCCCCCCCN1CC[C@@H]([NH3+])C1 88236265 631159619 /nfs/dbraw/zinc/15/96/19/631159619.db2.gz NSLNKGIVHHODBV-GFCCVEGCSA-N 2 0 198.354 2.380 20 30 AEEDRP C=CC[C@@H](CC)[NH2+]CC[NH2+]C(C)(C)C 393794383 1224335158 /nfs/dbraw/zinc/33/51/58/1224335158.db2.gz HKBITOJLUMLOEX-LLVKDONJSA-N 2 0 198.354 2.319 20 30 AEEDRP C=CC[C@H](CC)[NH2+]CC[NH2+]C(C)(C)C 393794384 1224335234 /nfs/dbraw/zinc/33/52/34/1224335234.db2.gz HKBITOJLUMLOEX-NSHDSACASA-N 2 0 198.354 2.319 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]C[C@@H](C)C[NH2+]C 1326474090 1224433010 /nfs/dbraw/zinc/43/30/10/1224433010.db2.gz RVZJYJZTXFFYLW-RYUDHWBXSA-N 2 0 198.354 2.176 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]C[C@@H](C)C[NH2+]C 1326474089 1224433119 /nfs/dbraw/zinc/43/31/19/1224433119.db2.gz RVZJYJZTXFFYLW-NWDGAFQWSA-N 2 0 198.354 2.176 20 30 AEEDRP C=CCC[C@H](CC)[NH2+]C[C@H](C)C[NH2+]C 1326474088 1224433898 /nfs/dbraw/zinc/43/38/98/1224433898.db2.gz RVZJYJZTXFFYLW-NEPJUHHUSA-N 2 0 198.354 2.176 20 30 AEEDRP C=CCC[C@@H](CC)[NH2+]C[C@H](C)C[NH2+]C 1326474091 1224434008 /nfs/dbraw/zinc/43/40/08/1224434008.db2.gz RVZJYJZTXFFYLW-VXGBXAGGSA-N 2 0 198.354 2.176 20 30 AEEDRP