smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](C1CC1)[C@H]1C=CCCC1 17772247 537778116 /nfs/dbraw/zinc/77/81/16/537778116.db2.gz NSKBQQDPVOKPMK-VIFPVBQESA-N 1 1 151.253 2.189 20 0 AEADMO CC[C@H](C)C[N@H+]1CC[C@@H](C)C1 14593186 537778250 /nfs/dbraw/zinc/77/82/50/537778250.db2.gz SHWYDOLCEPXLHO-VHSXEESVSA-N 1 1 155.285 2.374 20 0 AEADMO C[N@@H+](C1CC1)[C@@H]1C=CCCC1 17772249 537778271 /nfs/dbraw/zinc/77/82/71/537778271.db2.gz NSKBQQDPVOKPMK-SECBINFHSA-N 1 1 151.253 2.189 20 0 AEADMO CC[C@@H](C)C[N@H+]1CC[C@@H](C)C1 14593185 537778937 /nfs/dbraw/zinc/77/89/37/537778937.db2.gz SHWYDOLCEPXLHO-NXEZZACHSA-N 1 1 155.285 2.374 20 0 AEADMO CCC(CC)[NH2+]CCCN1CCCC1 20129023 537780853 /nfs/dbraw/zinc/78/08/53/537780853.db2.gz RMNKDJMGQMYFOF-UHFFFAOYSA-N 1 1 198.354 2.251 20 0 AEADMO CC(C)[C@H](C)[NH2+]CCCN1CCCC1 20129046 537780881 /nfs/dbraw/zinc/78/08/81/537780881.db2.gz GNVOJFSVOOUPSP-LBPRGKRZSA-N 1 1 198.354 2.106 20 0 AEADMO CCC[C@@H](C)[NH2+]CCCN1CCCC1 20129145 537780890 /nfs/dbraw/zinc/78/08/90/537780890.db2.gz NFGJSCKBYQDNLI-GFCCVEGCSA-N 1 1 198.354 2.251 20 0 AEADMO CC(C)[NH2+]C[C@H](C(C)C)N1CCCC1 20200837 537780955 /nfs/dbraw/zinc/78/09/55/537780955.db2.gz RUCPWCXBECQBIU-GFCCVEGCSA-N 1 1 198.354 2.105 20 0 AEADMO CC1CCN(CCC[NH2+]C(C)C)CC1 20146303 537782142 /nfs/dbraw/zinc/78/21/42/537782142.db2.gz UHEMTMGLQXEDLK-UHFFFAOYSA-N 1 1 198.354 2.106 20 0 AEADMO CC(C)[C@@H](C)[NH2+]CCCN1CCCC1 20129045 537782412 /nfs/dbraw/zinc/78/24/12/537782412.db2.gz GNVOJFSVOOUPSP-GFCCVEGCSA-N 1 1 198.354 2.106 20 0 AEADMO CC(C)[NH2+]C[C@@H](C(C)C)N1CCCC1 20200836 537783283 /nfs/dbraw/zinc/78/32/83/537783283.db2.gz RUCPWCXBECQBIU-LBPRGKRZSA-N 1 1 198.354 2.105 20 0 AEADMO CCC[C@H](C)[NH2+]CCCN1CCCC1 20129146 537783461 /nfs/dbraw/zinc/78/34/61/537783461.db2.gz NFGJSCKBYQDNLI-LBPRGKRZSA-N 1 1 198.354 2.251 20 0 AEADMO CCCC[N@@H+](C)Cc1cccnc1 27828475 537787086 /nfs/dbraw/zinc/78/70/86/537787086.db2.gz QKLBVCOXCYESHY-UHFFFAOYSA-N 1 1 178.279 2.314 20 0 AEADMO CC(C)CC[C@@H](C)[NH2+]Cc1ccn[nH]1 36900130 537804575 /nfs/dbraw/zinc/80/45/75/537804575.db2.gz JYCQPGKJUVDYTA-SNVBAGLBSA-N 1 1 195.310 2.324 20 0 AEADMO CC(C)CC[C@H](C)[NH2+]Cc1ccn[nH]1 36900131 537805709 /nfs/dbraw/zinc/80/57/09/537805709.db2.gz JYCQPGKJUVDYTA-JTQLQIEISA-N 1 1 195.310 2.324 20 0 AEADMO CCCC[C@H](C)[NH2+]CCCN(C)C 37213660 537809504 /nfs/dbraw/zinc/80/95/04/537809504.db2.gz VJESRMSOFJINOO-NSHDSACASA-N 1 1 186.343 2.106 20 0 AEADMO CCCC[C@@H](C)[NH2+]CCCN(C)C 37213659 537812817 /nfs/dbraw/zinc/81/28/17/537812817.db2.gz VJESRMSOFJINOO-LLVKDONJSA-N 1 1 186.343 2.106 20 0 AEADMO CC(=O)CCCn1cc[nH+]c1C(C)C 37329142 537817331 /nfs/dbraw/zinc/81/73/31/537817331.db2.gz XTQYFIODNXNSLH-UHFFFAOYSA-N 1 1 194.278 2.376 20 0 AEADMO CCCC[C@H](C)[NH2+]Cc1cn[nH]c1C 38011461 537825059 /nfs/dbraw/zinc/82/50/59/537825059.db2.gz QBBODXLMKJMHPR-VIFPVBQESA-N 1 1 195.310 2.386 20 0 AEADMO CCCC[C@@H](C)[NH2+]Cc1cn[nH]c1C 38011460 537825882 /nfs/dbraw/zinc/82/58/82/537825882.db2.gz QBBODXLMKJMHPR-SECBINFHSA-N 1 1 195.310 2.386 20 0 AEADMO CC[C@@H](C)C[N@H+]1CC[C@H](C)C1 38916005 537828277 /nfs/dbraw/zinc/82/82/77/537828277.db2.gz SHWYDOLCEPXLHO-ZJUUUORDSA-N 1 1 155.285 2.374 20 0 AEADMO CCC[N@@H+](C)Cc1cnccc1C 38973462 537829295 /nfs/dbraw/zinc/82/92/95/537829295.db2.gz XFKIKZBEKJAQNZ-UHFFFAOYSA-N 1 1 178.279 2.232 20 0 AEADMO CC[C@H](C)C[NH2+]C1CCN(CC)CC1 38097997 537829474 /nfs/dbraw/zinc/82/94/74/537829474.db2.gz DITWSJHVUXVULF-NSHDSACASA-N 1 1 198.354 2.106 20 0 AEADMO CC[C@H](C)C[N@H+]1CC[C@H](C)C1 38916006 537829509 /nfs/dbraw/zinc/82/95/09/537829509.db2.gz SHWYDOLCEPXLHO-UWVGGRQHSA-N 1 1 155.285 2.374 20 0 AEADMO CC[C@@H](C)C[NH2+]C1CCN(CC)CC1 38097996 537831662 /nfs/dbraw/zinc/83/16/62/537831662.db2.gz DITWSJHVUXVULF-LLVKDONJSA-N 1 1 198.354 2.106 20 0 AEADMO CC(C)[N@@H+](CCO)C1CCCCC1 39310796 537833385 /nfs/dbraw/zinc/83/33/85/537833385.db2.gz VDEMCLUFYJGNTM-UHFFFAOYSA-N 1 1 185.311 2.022 20 0 AEADMO CCC[N@@H+](C)Cc1cccnc1C 39116776 537838435 /nfs/dbraw/zinc/83/84/35/537838435.db2.gz OLBANCFMYYLUCH-UHFFFAOYSA-N 1 1 178.279 2.232 20 0 AEADMO CCCC(CCC)[NH2+]Cc1ccn[nH]1 41014545 537838960 /nfs/dbraw/zinc/83/89/60/537838960.db2.gz WXJHEUNNHVUIMT-UHFFFAOYSA-N 1 1 195.310 2.468 20 0 AEADMO CCCC[C@H](C)[NH2+]Cc1ccn[nH]1 41015367 537839702 /nfs/dbraw/zinc/83/97/02/537839702.db2.gz TZSMZSSXQDJGNC-VIFPVBQESA-N 1 1 181.283 2.078 20 0 AEADMO CCCCn1cc[nH+]c1CC 41392087 537840311 /nfs/dbraw/zinc/84/03/11/537840311.db2.gz FWEIDDZCICNFFR-UHFFFAOYSA-N 1 1 152.241 2.246 20 0 AEADMO CC(C)C[N@H+]1CCC[C@@H](C)C1 41362788 537840411 /nfs/dbraw/zinc/84/04/11/537840411.db2.gz HOZGQZCCSLDKBD-SNVBAGLBSA-N 1 1 155.285 2.374 20 0 AEADMO C[C@H](c1cccs1)[N@@H+](C)CCCO 42227112 537840492 /nfs/dbraw/zinc/84/04/92/537840492.db2.gz NXBPEHRBXRGIJV-SECBINFHSA-N 1 1 199.319 2.123 20 0 AEADMO CCc1[nH+]ccn1CC(=O)C(C)(C)C 41392117 537841024 /nfs/dbraw/zinc/84/10/24/537841024.db2.gz WKFJTSGSYGLMMI-UHFFFAOYSA-N 1 1 194.278 2.061 20 0 AEADMO CCC[N@@H+](CCN)CC1CCCCC1 41056531 537841153 /nfs/dbraw/zinc/84/11/53/537841153.db2.gz OJPLVAJJUMYNJH-UHFFFAOYSA-N 1 1 198.354 2.237 20 0 AEADMO CCCC[N@H+](C)CCCN1CCCC1 41209525 537841366 /nfs/dbraw/zinc/84/13/66/537841366.db2.gz HUMULKDMPNDLLJ-UHFFFAOYSA-N 1 1 198.354 2.204 20 0 AEADMO CCCC[N@@H+](C)CCCN1CCCC1 41209525 537841377 /nfs/dbraw/zinc/84/13/77/537841377.db2.gz HUMULKDMPNDLLJ-UHFFFAOYSA-N 1 1 198.354 2.204 20 0 AEADMO CCCC[C@@H](C)[NH2+]Cc1ccn[nH]1 41015365 537841663 /nfs/dbraw/zinc/84/16/63/537841663.db2.gz TZSMZSSXQDJGNC-SECBINFHSA-N 1 1 181.283 2.078 20 0 AEADMO C[C@@H](c1cccs1)[N@@H+](C)CCCO 42227109 537842081 /nfs/dbraw/zinc/84/20/81/537842081.db2.gz NXBPEHRBXRGIJV-VIFPVBQESA-N 1 1 199.319 2.123 20 0 AEADMO c1csc(C[NH2+]Cc2ccon2)c1 41670987 537842298 /nfs/dbraw/zinc/84/22/98/537842298.db2.gz MQGFPFMIZVGGMB-UHFFFAOYSA-N 1 1 194.259 2.026 20 0 AEADMO CC(C)C[N@H+]1CCC[C@H](C)C1 41362790 537842957 /nfs/dbraw/zinc/84/29/57/537842957.db2.gz HOZGQZCCSLDKBD-JTQLQIEISA-N 1 1 155.285 2.374 20 0 AEADMO CCCC[N@@H+](C)CCN1CCCCC1 41209517 537843015 /nfs/dbraw/zinc/84/30/15/537843015.db2.gz VAKKUDNMBWCHPF-UHFFFAOYSA-N 1 1 198.354 2.204 20 0 AEADMO CCCCN(C)CC[NH+]1CCCCC1 41209517 537843022 /nfs/dbraw/zinc/84/30/22/537843022.db2.gz VAKKUDNMBWCHPF-UHFFFAOYSA-N 1 1 198.354 2.204 20 0 AEADMO c1csc(C[NH2+]Cc2ccno2)c1 41042042 537843783 /nfs/dbraw/zinc/84/37/83/537843783.db2.gz FRCCJRPPWXREBB-UHFFFAOYSA-N 1 1 194.259 2.026 20 0 AEADMO CCOCC[N@@H+](C)Cc1cccs1 41392514 537843810 /nfs/dbraw/zinc/84/38/10/537843810.db2.gz IWZUDCYSBHWZGV-UHFFFAOYSA-N 1 1 199.319 2.216 20 0 AEADMO CCOCC[N@H+]1C[C@@H](C)C[C@@H](C)C1 41362824 537843872 /nfs/dbraw/zinc/84/38/72/537843872.db2.gz SZXLVBSYOVBXEC-PHIMTYICSA-N 1 1 185.311 2.001 20 0 AEADMO CCCN1CCC([NH2+]C2CCC2)CC1 44480480 537844762 /nfs/dbraw/zinc/84/47/62/537844762.db2.gz FYZIZLVXFHUWGV-UHFFFAOYSA-N 1 1 196.338 2.003 20 0 AEADMO CCC(CC)C[N@@H+](CC)C[C@H](C)O 44383921 537845009 /nfs/dbraw/zinc/84/50/09/537845009.db2.gz XYWBOFUYOMCDHK-JTQLQIEISA-N 1 1 187.327 2.125 20 0 AEADMO CCC[N@@H+](C[C@H](O)C(C)(C)C)C1CC1 44130690 537845550 /nfs/dbraw/zinc/84/55/50/537845550.db2.gz RRFYSWVJKKNKJB-NSHDSACASA-N 1 1 199.338 2.268 20 0 AEADMO C[C@H](O)CC[N@@H+](C)C1CCCCCC1 44160671 537846204 /nfs/dbraw/zinc/84/62/04/537846204.db2.gz ACZZHOCKZWPDGF-NSHDSACASA-N 1 1 199.338 2.412 20 0 AEADMO CC(C)C[C@@H](C)[N@@H+](C)CC[C@@H](C)O 44176699 537846260 /nfs/dbraw/zinc/84/62/60/537846260.db2.gz FSKFWRRHUFOHGD-GHMZBOCLSA-N 1 1 187.327 2.124 20 0 AEADMO CC[C@H]1CCC[N@H+]1C[C@H](O)C(C)(C)C 44112530 537846402 /nfs/dbraw/zinc/84/64/02/537846402.db2.gz LAOMXZKDXWZJIU-QWRGUYRKSA-N 1 1 199.338 2.268 20 0 AEADMO CC[C@H]1CCCC[N@H+]1CC[C@@H](C)O 44129089 537846558 /nfs/dbraw/zinc/84/65/58/537846558.db2.gz GBLHXLYKTZAIIF-MNOVXSKESA-N 1 1 185.311 2.022 20 0 AEADMO C[C@H](O)CC[N@@H+](C)C1CCCCC1 44120936 537846727 /nfs/dbraw/zinc/84/67/27/537846727.db2.gz LGKHKUMJXAKEBA-JTQLQIEISA-N 1 1 185.311 2.022 20 0 AEADMO C[C@@H](O)CC[N@@H+](C)C1CCCCC1 44120942 537846964 /nfs/dbraw/zinc/84/69/64/537846964.db2.gz LGKHKUMJXAKEBA-SNVBAGLBSA-N 1 1 185.311 2.022 20 0 AEADMO CC[C@H](C)[N@@H+](C)C[C@H](O)C(C)(C)C 44126275 537847320 /nfs/dbraw/zinc/84/73/20/537847320.db2.gz SBBUZHRECALOSP-UWVGGRQHSA-N 1 1 187.327 2.124 20 0 AEADMO CCC(CC)C[N@@H+](CC)C[C@@H](C)O 44383917 537847601 /nfs/dbraw/zinc/84/76/01/537847601.db2.gz XYWBOFUYOMCDHK-SNVBAGLBSA-N 1 1 187.327 2.125 20 0 AEADMO CC[C@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)C 42778276 537847554 /nfs/dbraw/zinc/84/75/54/537847554.db2.gz VSWCWRNBKSZARV-UWVGGRQHSA-N 1 1 187.327 2.124 20 0 AEADMO CCC[N@@H+](C[C@@H](O)C(C)(C)C)C1CC1 44130693 537848067 /nfs/dbraw/zinc/84/80/67/537848067.db2.gz RRFYSWVJKKNKJB-LLVKDONJSA-N 1 1 199.338 2.268 20 0 AEADMO CC[C@@H]1CCC[N@H+]1C[C@H](O)C(C)(C)C 44112526 537848207 /nfs/dbraw/zinc/84/82/07/537848207.db2.gz LAOMXZKDXWZJIU-MNOVXSKESA-N 1 1 199.338 2.268 20 0 AEADMO CC[C@@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)C 42778278 537848239 /nfs/dbraw/zinc/84/82/39/537848239.db2.gz VSWCWRNBKSZARV-VHSXEESVSA-N 1 1 187.327 2.124 20 0 AEADMO CC(C)C[C@H](C)[N@@H+](C)CC[C@@H](C)O 44176703 537848592 /nfs/dbraw/zinc/84/85/92/537848592.db2.gz FSKFWRRHUFOHGD-WDEREUQCSA-N 1 1 187.327 2.124 20 0 AEADMO CC[C@@H]1CCCC[N@H+]1CC[C@@H](C)O 44129086 537848896 /nfs/dbraw/zinc/84/88/96/537848896.db2.gz GBLHXLYKTZAIIF-GHMZBOCLSA-N 1 1 185.311 2.022 20 0 AEADMO CC[C@@H](C)[N@@H+](C)C[C@H](O)C(C)(C)C 44126272 537849060 /nfs/dbraw/zinc/84/90/60/537849060.db2.gz SBBUZHRECALOSP-ZJUUUORDSA-N 1 1 187.327 2.124 20 0 AEADMO CCC(CC)[NH2+]C[C@H]1CCCN(C)C1 44534398 537851995 /nfs/dbraw/zinc/85/19/95/537851995.db2.gz GMUIDZDJOPNVFR-LLVKDONJSA-N 1 1 198.354 2.106 20 0 AEADMO CC(C)c1[nH+]ccn1CCC[C@H](C)O 45621001 537855808 /nfs/dbraw/zinc/85/58/08/537855808.db2.gz HLIBUTYEDOSVSZ-JTQLQIEISA-N 1 1 196.294 2.168 20 0 AEADMO CCCC(=O)Cn1cc[nH+]c1C(C)C 50184626 537856288 /nfs/dbraw/zinc/85/62/88/537856288.db2.gz RRBPDGQPXRVOKD-UHFFFAOYSA-N 1 1 194.278 2.376 20 0 AEADMO CC(C)CC[N@@H+](C)CCC[C@@H](C)O 45620554 537857246 /nfs/dbraw/zinc/85/72/46/537857246.db2.gz WDJNHHAOCCPUMJ-LLVKDONJSA-N 1 1 187.327 2.125 20 0 AEADMO C[C@H](c1ccccc1)[N@@H+](C)CCCO 49807240 537857300 /nfs/dbraw/zinc/85/73/00/537857300.db2.gz NGFZENGQBATGPH-LLVKDONJSA-N 1 1 193.290 2.062 20 0 AEADMO CCCC[C@H](CC)C[N@@H+](C)CCO 50104657 537857368 /nfs/dbraw/zinc/85/73/68/537857368.db2.gz FYOXSIIBBRMWKX-NSHDSACASA-N 1 1 187.327 2.127 20 0 AEADMO CCC[N@@H+](CCC[C@@H](C)O)C1CC1 45619625 537857380 /nfs/dbraw/zinc/85/73/80/537857380.db2.gz AXEPMPFIZHNYSV-SNVBAGLBSA-N 1 1 185.311 2.022 20 0 AEADMO CCCC[N@@H+](CC)CCC[C@@H](C)O 45619378 537857464 /nfs/dbraw/zinc/85/74/64/537857464.db2.gz KBENKWCOFMJQMC-LLVKDONJSA-N 1 1 187.327 2.269 20 0 AEADMO CC[C@@H]1CCC[N@@H+](CCC[C@@H](C)O)C1 45619755 537857499 /nfs/dbraw/zinc/85/74/99/537857499.db2.gz VBQBBIBGPRLFDJ-VXGBXAGGSA-N 1 1 199.338 2.269 20 0 AEADMO CC[C@H](C)C[N@@H+](C)CCC[C@@H](C)O 45619640 537857576 /nfs/dbraw/zinc/85/75/76/537857576.db2.gz MIGPOGRYLPUTRT-WDEREUQCSA-N 1 1 187.327 2.125 20 0 AEADMO C[C@H]1C[C@@H](C)C[N@@H+](CCC[C@@H](C)O)C1 45618954 537857591 /nfs/dbraw/zinc/85/75/91/537857591.db2.gz YVEATRPMAWITBU-GRYCIOLGSA-N 1 1 199.338 2.125 20 0 AEADMO CC[C@H]1CCC[N@@H+](CCC[C@@H](C)O)C1 45619758 537857646 /nfs/dbraw/zinc/85/76/46/537857646.db2.gz VBQBBIBGPRLFDJ-NEPJUHHUSA-N 1 1 199.338 2.269 20 0 AEADMO CC(C)[C@H](C)[N@@H+](C)CCC[C@@H](C)O 45619815 537857666 /nfs/dbraw/zinc/85/76/66/537857666.db2.gz PBRDHCVTTPSNQE-MNOVXSKESA-N 1 1 187.327 2.124 20 0 AEADMO CC(C)c1[nH+]ccn1CCC[C@@H](C)O 45620998 537857849 /nfs/dbraw/zinc/85/78/49/537857849.db2.gz HLIBUTYEDOSVSZ-SNVBAGLBSA-N 1 1 196.294 2.168 20 0 AEADMO CCC[N@@H+](CCC[C@@H](C)O)CC1CC1 45620159 537858226 /nfs/dbraw/zinc/85/82/26/537858226.db2.gz GVIIDZSBTDIUGH-LLVKDONJSA-N 1 1 199.338 2.269 20 0 AEADMO CC[C@@H](C)C[N@@H+](C)CCC[C@@H](C)O 45619637 537858319 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AEADMO CC(C)C[N@@H+](C)C[C@@H]1CCSC1 381852979 538428151 /nfs/dbraw/zinc/42/81/51/538428151.db2.gz RBUUABCKZWHWOY-JTQLQIEISA-N 1 1 187.352 2.327 20 0 AEADMO C[C@@H]1C[C@H](O)C[N@H+]1CCCC(C)(C)C 384998992 538429195 /nfs/dbraw/zinc/42/91/95/538429195.db2.gz CHHTXNCHEWZIHD-MNOVXSKESA-N 1 1 199.338 2.268 20 0 AEADMO CC[C@H]1[C@H](C)CC[N@H+]1CCCCCO 383886346 538428415 /nfs/dbraw/zinc/42/84/15/538428415.db2.gz HTTNNFFBWCFHSR-NEPJUHHUSA-N 1 1 199.338 2.269 20 0 AEADMO CC[C@@H]1[C@H](C)CC[N@H+]1CCCCCO 383886351 538428438 /nfs/dbraw/zinc/42/84/38/538428438.db2.gz HTTNNFFBWCFHSR-VXGBXAGGSA-N 1 1 199.338 2.269 20 0 AEADMO C[C@@H]([N@@H+](C)CCC(C)(C)O)C1(C)CC1 385382159 538428464 /nfs/dbraw/zinc/42/84/64/538428464.db2.gz XUFOKVZMPBAPIX-SNVBAGLBSA-N 1 1 199.338 2.268 20 0 AEADMO CC[C@@H]1[C@H](C)CC[N@H+]1CCC[C@@H](C)O 383900499 538428555 /nfs/dbraw/zinc/42/85/55/538428555.db2.gz MGXFZJWQPJLJMT-IJLUTSLNSA-N 1 1 199.338 2.268 20 0 AEADMO CC[C@H]1[C@H](C)CC[N@H+]1CCC(C)(C)O 383932774 538428562 /nfs/dbraw/zinc/42/85/62/538428562.db2.gz VTCJZKVXNRDDGS-MNOVXSKESA-N 1 1 199.338 2.268 20 0 AEADMO C[C@H]1C[C@@H](O)C[N@H+]1CCCC(C)(C)C 384998996 538428568 /nfs/dbraw/zinc/42/85/68/538428568.db2.gz CHHTXNCHEWZIHD-WDEREUQCSA-N 1 1 199.338 2.268 20 0 AEADMO CC[C@@H]1[C@H](C)CC[N@H+]1CCC(C)(C)O 383932773 538428583 /nfs/dbraw/zinc/42/85/83/538428583.db2.gz VTCJZKVXNRDDGS-GHMZBOCLSA-N 1 1 199.338 2.268 20 0 AEADMO CCCC[N@@H+](C)C[C@H]1C[C@@H]1C 388155888 538429401 /nfs/dbraw/zinc/42/94/01/538429401.db2.gz QKQDWMLQYDXNSH-VHSXEESVSA-N 1 1 155.285 2.374 20 0 AEADMO CCCCC[N@H+]1CCC[C@H]1COC 388304818 538430853 /nfs/dbraw/zinc/43/08/53/538430853.db2.gz PCFOLPCGZWJMGB-NSHDSACASA-N 1 1 185.311 2.287 20 0 AEADMO C[C@H]1C[C@H](O)C[N@H+]1CCCC(C)(C)C 384998995 538428736 /nfs/dbraw/zinc/42/87/36/538428736.db2.gz CHHTXNCHEWZIHD-QWRGUYRKSA-N 1 1 199.338 2.268 20 0 AEADMO CC[N@@H+](CCC1CC1)CCC(C)(C)O 385324651 538428814 /nfs/dbraw/zinc/42/88/14/538428814.db2.gz BPKDYVCQSDLPGT-UHFFFAOYSA-N 1 1 199.338 2.269 20 0 AEADMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCC(C)(C)O 383932776 538428818 /nfs/dbraw/zinc/42/88/18/538428818.db2.gz VTCJZKVXNRDDGS-WDEREUQCSA-N 1 1 199.338 2.268 20 0 AEADMO C[C@H]([N@@H+](C)CCC(C)(C)O)C1(C)CC1 385382156 538428842 /nfs/dbraw/zinc/42/88/42/538428842.db2.gz XUFOKVZMPBAPIX-JTQLQIEISA-N 1 1 199.338 2.268 20 0 AEADMO CC(C)C[C@H](C)C[N@H+]1C[C@@H](O)C[C@H]1C 385008751 538428859 /nfs/dbraw/zinc/42/88/59/538428859.db2.gz GQVBGRFNGJGROR-TUAOUCFPSA-N 1 1 199.338 2.124 20 0 AEADMO CC(C)C[C@H](C)C[N@H+]1C[C@H](O)C[C@H]1C 385008748 538428883 /nfs/dbraw/zinc/42/88/83/538428883.db2.gz GQVBGRFNGJGROR-QJPTWQEYSA-N 1 1 199.338 2.124 20 0 AEADMO CC[C@H]1[C@@H](C)CC[N@H+]1CCC(C)(C)O 383932775 538428895 /nfs/dbraw/zinc/42/88/95/538428895.db2.gz VTCJZKVXNRDDGS-QWRGUYRKSA-N 1 1 199.338 2.268 20 0 AEADMO C[C@@H]([N@@H+](C)CC1CCCC1)C(C)(C)O 382831065 538428924 /nfs/dbraw/zinc/42/89/24/538428924.db2.gz BJWIPMWCPHCPGD-SNVBAGLBSA-N 1 1 199.338 2.268 20 0 AEADMO CC(C)C[C@H](C)C[N@H+]1C[C@H](O)C[C@@H]1C 385008749 538428962 /nfs/dbraw/zinc/42/89/62/538428962.db2.gz GQVBGRFNGJGROR-SDDRHHMPSA-N 1 1 199.338 2.124 20 0 AEADMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCC[C@H](C)O 383900502 538429013 /nfs/dbraw/zinc/42/90/13/538429013.db2.gz MGXFZJWQPJLJMT-SDDRHHMPSA-N 1 1 199.338 2.268 20 0 AEADMO CC[C@@H]1[C@H](C)CC[N@H+]1CCC[C@H](C)O 383900497 538429067 /nfs/dbraw/zinc/42/90/67/538429067.db2.gz MGXFZJWQPJLJMT-GRYCIOLGSA-N 1 1 199.338 2.268 20 0 AEADMO CC[C@H]1[C@@H](C)CC[N@H+]1CCCCCO 383886350 538429079 /nfs/dbraw/zinc/42/90/79/538429079.db2.gz HTTNNFFBWCFHSR-RYUDHWBXSA-N 1 1 199.338 2.269 20 0 AEADMO C[C@H]([N@@H+](C)CC1CCCC1)C(C)(C)O 382831064 538429089 /nfs/dbraw/zinc/42/90/89/538429089.db2.gz BJWIPMWCPHCPGD-JTQLQIEISA-N 1 1 199.338 2.268 20 0 AEADMO CC(C)C[C@H](C)C[N@H+]1C[C@@H](O)C[C@@H]1C 385008750 538429119 /nfs/dbraw/zinc/42/91/19/538429119.db2.gz GQVBGRFNGJGROR-SRVKXCTJSA-N 1 1 199.338 2.124 20 0 AEADMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCCCCO 383886348 538429148 /nfs/dbraw/zinc/42/91/48/538429148.db2.gz HTTNNFFBWCFHSR-NWDGAFQWSA-N 1 1 199.338 2.269 20 0 AEADMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCC[C@@H](C)O 383900501 538429151 /nfs/dbraw/zinc/42/91/51/538429151.db2.gz MGXFZJWQPJLJMT-QJPTWQEYSA-N 1 1 199.338 2.268 20 0 AEADMO CCCC[N@@H+](C)C[C@@H]1C[C@@H]1C 388155886 538429252 /nfs/dbraw/zinc/42/92/52/538429252.db2.gz QKQDWMLQYDXNSH-UWVGGRQHSA-N 1 1 155.285 2.374 20 0 AEADMO CC[N@@H+](CCCF)CC(C)C 388044159 538429330 /nfs/dbraw/zinc/42/93/30/538429330.db2.gz SFIVYGSIFXIFAQ-UHFFFAOYSA-N 1 1 161.264 2.324 20 0 AEADMO CC(C)CCC[N@H+]1C[C@H](O)C(C)(C)C1 387856963 538429559 /nfs/dbraw/zinc/42/95/59/538429559.db2.gz KOHISVYWEXJVLH-NSHDSACASA-N 1 1 199.338 2.125 20 0 AEADMO C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1O 387843786 538429577 /nfs/dbraw/zinc/42/95/77/538429577.db2.gz GXLZKCUZJDHLAP-MNOVXSKESA-N 1 1 199.338 2.125 20 0 AEADMO CCCC[N@H+]1C[C@@H](C)OC[C@@H]1CC 388317484 538430941 /nfs/dbraw/zinc/43/09/41/538430941.db2.gz VTEVHDJFHJHIKE-MNOVXSKESA-N 1 1 185.311 2.286 20 0 AEADMO CCC(CC)C[N@H+]1C[C@H](O)C(C)(C)C1 387891432 538429663 /nfs/dbraw/zinc/42/96/63/538429663.db2.gz RNLBLYWMWTUHNK-NSHDSACASA-N 1 1 199.338 2.125 20 0 AEADMO CC(C)CCC[N@H+]1C[C@@H](O)C(C)(C)C1 387856962 538429690 /nfs/dbraw/zinc/42/96/90/538429690.db2.gz KOHISVYWEXJVLH-LLVKDONJSA-N 1 1 199.338 2.125 20 0 AEADMO CCCC[N@@H+](C)C[C@@H]1C[C@H]1C 388155890 538429709 /nfs/dbraw/zinc/42/97/09/538429709.db2.gz QKQDWMLQYDXNSH-ZJUUUORDSA-N 1 1 155.285 2.374 20 0 AEADMO CCCC[N@H+]1C[C@@H](C)OC[C@H]1CC 388317481 538430945 /nfs/dbraw/zinc/43/09/45/538430945.db2.gz VTEVHDJFHJHIKE-GHMZBOCLSA-N 1 1 185.311 2.286 20 0 AEADMO C[C@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1O 387843787 538429740 /nfs/dbraw/zinc/42/97/40/538429740.db2.gz GXLZKCUZJDHLAP-QWRGUYRKSA-N 1 1 199.338 2.125 20 0 AEADMO CCOCC[N@@H+](C)[C@@H]1C=CCCC1 388282012 538430951 /nfs/dbraw/zinc/43/09/51/538430951.db2.gz NDEFENNAKLXEMU-LLVKDONJSA-N 1 1 183.295 2.063 20 0 AEADMO CCC(CC)C[N@H+]1C[C@@H](O)C(C)(C)C1 387891431 538429782 /nfs/dbraw/zinc/42/97/82/538429782.db2.gz RNLBLYWMWTUHNK-LLVKDONJSA-N 1 1 199.338 2.125 20 0 AEADMO C[C@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1O 387843788 538429808 /nfs/dbraw/zinc/42/98/08/538429808.db2.gz GXLZKCUZJDHLAP-WDEREUQCSA-N 1 1 199.338 2.125 20 0 AEADMO C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1O 387843785 538429829 /nfs/dbraw/zinc/42/98/29/538429829.db2.gz GXLZKCUZJDHLAP-GHMZBOCLSA-N 1 1 199.338 2.125 20 0 AEADMO CCCCC[N@H+]1CCO[C@@H](C)[C@H]1C 388284316 538430958 /nfs/dbraw/zinc/43/09/58/538430958.db2.gz PEPJPBPREGPIHQ-MNOVXSKESA-N 1 1 185.311 2.286 20 0 AEADMO CCCC[N@@H+](C)C[C@H]1C[C@H]1C 388155885 538429894 /nfs/dbraw/zinc/42/98/94/538429894.db2.gz QKQDWMLQYDXNSH-NXEZZACHSA-N 1 1 155.285 2.374 20 0 AEADMO CCOC[C@@H]1CC[N@H+]([C@H](C)CC)C1 388317293 538430975 /nfs/dbraw/zinc/43/09/75/538430975.db2.gz VRJVHHAFKRANEO-GHMZBOCLSA-N 1 1 185.311 2.143 20 0 AEADMO CCC(CC)[N@@H+](CC)C[C@H](C)CO 388266549 538430232 /nfs/dbraw/zinc/43/02/32/538430232.db2.gz CMJHAJIKZBZNMW-JTQLQIEISA-N 1 1 187.327 2.125 20 0 AEADMO CCC(CC)[N@@H+](CC)C[C@@H](C)CO 388266551 538430309 /nfs/dbraw/zinc/43/03/09/538430309.db2.gz CMJHAJIKZBZNMW-SNVBAGLBSA-N 1 1 187.327 2.125 20 0 AEADMO CCC[N@H+]1CCC[C@]1(CO)CCC 388274303 538431205 /nfs/dbraw/zinc/43/12/05/538431205.db2.gz IKKGTWOWKRCWNC-NSHDSACASA-N 1 1 185.311 2.023 20 0 AEADMO C[C@@H]1CC[N@@H+](CCCCCF)C1 388507633 538433164 /nfs/dbraw/zinc/43/31/64/538433164.db2.gz POXNIYQAKNNUQQ-SNVBAGLBSA-N 1 1 173.275 2.468 20 0 AEADMO CCCC[N@H+]1C[C@H](C)OC[C@H]1CC 388317495 538431201 /nfs/dbraw/zinc/43/12/01/538431201.db2.gz VTEVHDJFHJHIKE-WDEREUQCSA-N 1 1 185.311 2.286 20 0 AEADMO CCCCC[N@H+]1CCO[C@@H](C)[C@@H]1C 388284317 538431215 /nfs/dbraw/zinc/43/12/15/538431215.db2.gz PEPJPBPREGPIHQ-QWRGUYRKSA-N 1 1 185.311 2.286 20 0 AEADMO FCCCC[N@@H+]1C[C@H]2CCC[C@H]2C1 388243077 538430661 /nfs/dbraw/zinc/43/06/61/538430661.db2.gz RNCUPIIJMLJHBM-PHIMTYICSA-N 1 1 185.286 2.468 20 0 AEADMO CCOC[C@H]1CC[N@H+]([C@@H](C)CC)C1 388317295 538430745 /nfs/dbraw/zinc/43/07/45/538430745.db2.gz VRJVHHAFKRANEO-QWRGUYRKSA-N 1 1 185.311 2.143 20 0 AEADMO CCOC[C@@H]1CC[N@H+]([C@@H](C)CC)C1 388317423 538430747 /nfs/dbraw/zinc/43/07/47/538430747.db2.gz VRJVHHAFKRANEO-WDEREUQCSA-N 1 1 185.311 2.143 20 0 AEADMO CCOCC[N@@H+](C)[C@H]1C=CCCC1 388282013 538430893 /nfs/dbraw/zinc/43/08/93/538430893.db2.gz NDEFENNAKLXEMU-NSHDSACASA-N 1 1 183.295 2.063 20 0 AEADMO CCCCC[N@H+]1CCC[C@@H]1COC 388304647 538431003 /nfs/dbraw/zinc/43/10/03/538431003.db2.gz PCFOLPCGZWJMGB-LLVKDONJSA-N 1 1 185.311 2.287 20 0 AEADMO FCCC[N@H+]1CCC[C@@H](C2CC2)C1 388306306 538431006 /nfs/dbraw/zinc/43/10/06/538431006.db2.gz PTSQQWRMLJNZFK-LLVKDONJSA-N 1 1 185.286 2.468 20 0 AEADMO CCC[N@H+]1CCC[C@@]1(CO)CCC 388274302 538431014 /nfs/dbraw/zinc/43/10/14/538431014.db2.gz IKKGTWOWKRCWNC-LLVKDONJSA-N 1 1 185.311 2.023 20 0 AEADMO CCCC[N@@H+](C)CC[C@H]1CCCO1 388275457 538431021 /nfs/dbraw/zinc/43/10/21/538431021.db2.gz ITVBQVOGSPSJQG-LLVKDONJSA-N 1 1 185.311 2.287 20 0 AEADMO CCOC[C@H]1CC[N@H+]([C@H](C)CC)C1 388317294 538431058 /nfs/dbraw/zinc/43/10/58/538431058.db2.gz VRJVHHAFKRANEO-MNOVXSKESA-N 1 1 185.311 2.143 20 0 AEADMO CCCC[N@@H+](C)CC[C@@H]1CCCO1 388275458 538431152 /nfs/dbraw/zinc/43/11/52/538431152.db2.gz ITVBQVOGSPSJQG-NSHDSACASA-N 1 1 185.311 2.287 20 0 AEADMO CCCCC[N@H+]1CCO[C@H](C)[C@@H]1C 388284318 538431154 /nfs/dbraw/zinc/43/11/54/538431154.db2.gz PEPJPBPREGPIHQ-WDEREUQCSA-N 1 1 185.311 2.286 20 0 AEADMO CCCC[N@H+]1C[C@H](C)OC[C@@H]1CC 388317491 538431178 /nfs/dbraw/zinc/43/11/78/538431178.db2.gz VTEVHDJFHJHIKE-QWRGUYRKSA-N 1 1 185.311 2.286 20 0 AEADMO CCCCC[N@H+]1CCO[C@H](C)[C@H]1C 388284315 538431191 /nfs/dbraw/zinc/43/11/91/538431191.db2.gz PEPJPBPREGPIHQ-GHMZBOCLSA-N 1 1 185.311 2.286 20 0 AEADMO CCCCC[N@H+]1CCC[C@]1(C)CO 388324829 538431435 /nfs/dbraw/zinc/43/14/35/538431435.db2.gz YWBXHVNXXIQGPM-LLVKDONJSA-N 1 1 185.311 2.023 20 0 AEADMO FCCC[N@H+]1CCC[C@H](C2CC2)C1 388306311 538431347 /nfs/dbraw/zinc/43/13/47/538431347.db2.gz 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187.327 2.124 20 0 AEADMO CC(C)C[N@@H+](CCCCO)C(C)C 42589481 574021801 /nfs/dbraw/zinc/02/18/01/574021801.db2.gz OPIDXPRICPLLTE-UHFFFAOYSA-N 1 1 187.327 2.125 20 0 AEADMO CCC(CC)Nc1cc(NC)[nH+]cn1 87807254 574036638 /nfs/dbraw/zinc/03/66/38/574036638.db2.gz KQOMPRHULHRDDC-UHFFFAOYSA-N 1 1 194.282 2.119 20 0 AEADMO CCC[C@H](C)Nc1cc(NC)[nH+]cn1 87807684 574041580 /nfs/dbraw/zinc/04/15/80/574041580.db2.gz KBQAHSWMYUUZPA-QMMMGPOBSA-N 1 1 194.282 2.119 20 0 AEADMO CC[C@H](C)[C@@H](C)[N@H+]1CC[C@@H](COC)C1 1167461931 760864265 /nfs/dbraw/zinc/86/42/65/760864265.db2.gz WLKGNWRRPSVGSC-QJPTWQEYSA-N 1 1 199.338 2.389 20 0 AEADMO CC[C@H](C)[C@H](C)[N@H+]1CC[C@@H](COC)C1 1167461932 760864653 /nfs/dbraw/zinc/86/46/53/760864653.db2.gz WLKGNWRRPSVGSC-SDDRHHMPSA-N 1 1 199.338 2.389 20 0 AEADMO CC[C@H](C)[C@@H](C)[N@H+]1CC[C@H](COC)C1 1167461934 760865580 /nfs/dbraw/zinc/86/55/80/760865580.db2.gz WLKGNWRRPSVGSC-TUAOUCFPSA-N 1 1 199.338 2.389 20 0 AEADMO CC[C@H](C)[C@H](C)[N@H+]1CC[C@H](COC)C1 1167461933 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/nfs/dbraw/zinc/98/93/39/486989339.db2.gz WPSIMGRJSVNEFB-MNOVXSKESA-N 1 1 199.338 2.389 20 0 AEADMO CC[C@H](O)C[N@H+]1CC[C@@H](C)C(C)(C)C1 680586017 486989408 /nfs/dbraw/zinc/98/94/08/486989408.db2.gz MGSGTCYCAWLUOB-MNOVXSKESA-N 1 1 199.338 2.125 20 0 AEADMO CC[C@H](O)C[N@H+]1CC[C@H](C)C(C)(C)C1 680586018 486989421 /nfs/dbraw/zinc/98/94/21/486989421.db2.gz MGSGTCYCAWLUOB-QWRGUYRKSA-N 1 1 199.338 2.125 20 0 AEADMO CC[C@@H](O)C[N@H+]1CC[C@H](C)C(C)(C)C1 680586019 486989511 /nfs/dbraw/zinc/98/95/11/486989511.db2.gz MGSGTCYCAWLUOB-WDEREUQCSA-N 1 1 199.338 2.125 20 0 AEADMO CCOCC[N@H+]1CC[C@@H](C)C(C)(C)C1 680585788 486989554 /nfs/dbraw/zinc/98/95/54/486989554.db2.gz KVYPUDGASQEMNX-LLVKDONJSA-N 1 1 199.338 2.391 20 0 AEADMO COC[C@@H](C)[N@H+]1CC[C@H](C)C(C)(C)C1 680586500 486989592 /nfs/dbraw/zinc/98/95/92/486989592.db2.gz VASRXMLRVUCTEJ-WDEREUQCSA-N 1 1 199.338 2.389 20 0 AEADMO CO[C@@H](C)C[N@H+]1CC[C@H](C)C(C)(C)C1 680586741 486989659 /nfs/dbraw/zinc/98/96/59/486989659.db2.gz 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680650823 486990371 /nfs/dbraw/zinc/99/03/71/486990371.db2.gz QTHMCZLUHNNCDV-UHFFFAOYSA-N 1 1 199.338 2.269 20 0 AEADMO CC[N@@H+](CCC1CC1)CC1(C)COC1 680635737 486990381 /nfs/dbraw/zinc/99/03/81/486990381.db2.gz FGAWGFIYQVFUSQ-UHFFFAOYSA-N 1 1 197.322 2.145 20 0 AEADMO CC[N@@H+](CCC1CC1)C[C@@H](C)OC 680635731 486990491 /nfs/dbraw/zinc/99/04/91/486990491.db2.gz DZYYECOUGXXITB-SNVBAGLBSA-N 1 1 185.311 2.143 20 0 AEADMO CC[N@@H+](CCC1CC1)Cc1cc[nH]n1 680649865 486990598 /nfs/dbraw/zinc/99/05/98/486990598.db2.gz JEAMRPKDEMSVLJ-UHFFFAOYSA-N 1 1 193.294 2.032 20 0 AEADMO CC[N@@H+](CCC1CC1)Cc1cn[nH]c1 680650535 486990628 /nfs/dbraw/zinc/99/06/28/486990628.db2.gz XVQSJLFHCOGLTP-UHFFFAOYSA-N 1 1 193.294 2.032 20 0 AEADMO C[C@H](O)C[N@@H+](C)C[C@H]1CCCC[C@H]1C 680672076 486990995 /nfs/dbraw/zinc/99/09/95/486990995.db2.gz PFLARJAVGCCMLP-GRYCIOLGSA-N 1 1 199.338 2.125 20 0 AEADMO C[C@H](O)C[N@@H+](C)C[C@H]1CCCC[C@@H]1C 680672077 486991088 /nfs/dbraw/zinc/99/10/88/486991088.db2.gz PFLARJAVGCCMLP-SDDRHHMPSA-N 1 1 199.338 2.125 20 0 AEADMO C[C@H](O)C[N@@H+](C)C[C@@H]1CCCC[C@H]1C 680672079 486991351 /nfs/dbraw/zinc/99/13/51/486991351.db2.gz PFLARJAVGCCMLP-WOPDTQHZSA-N 1 1 199.338 2.125 20 0 AEADMO C[C@H](O)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1C 680672078 486991472 /nfs/dbraw/zinc/99/14/72/486991472.db2.gz PFLARJAVGCCMLP-SRVKXCTJSA-N 1 1 199.338 2.125 20 0 AEADMO CC(C)CCC[N@H+]1[C@@H](C)CNC[C@H]1C 165542723 486991923 /nfs/dbraw/zinc/99/19/23/486991923.db2.gz JRJDTHLTFOMAKC-TXEJJXNPSA-N 1 1 198.354 2.105 20 0 AEADMO CC(C)CCCN1[C@@H](C)C[NH2+]C[C@H]1C 165542723 486991928 /nfs/dbraw/zinc/99/19/28/486991928.db2.gz JRJDTHLTFOMAKC-TXEJJXNPSA-N 1 1 198.354 2.105 20 0 AEADMO CC(C)CCC[N@H+](C)C1CCNCC1 165538162 486992037 /nfs/dbraw/zinc/99/20/37/486992037.db2.gz NNKFKGYIRUEOLK-UHFFFAOYSA-N 1 1 198.354 2.106 20 0 AEADMO CC(C)CCC[N@@H+](C)C1CCNCC1 165538162 486992042 /nfs/dbraw/zinc/99/20/42/486992042.db2.gz NNKFKGYIRUEOLK-UHFFFAOYSA-N 1 1 198.354 2.106 20 0 AEADMO C[C@H](O)C[N@@H+](C)CC1CCCCCC1 680817512 486993269 /nfs/dbraw/zinc/99/32/69/486993269.db2.gz ANBIDWCDAUDFIP-NSHDSACASA-N 1 1 199.338 2.269 20 0 AEADMO CC(C)OCC[N@H+]1CCC[C@@H](C)C1 680848717 486994106 /nfs/dbraw/zinc/99/41/06/486994106.db2.gz IARRFTMRXXVPAS-LLVKDONJSA-N 1 1 185.311 2.143 20 0 AEADMO CCCC[N@@H+](C)Cc1cc(C)no1 680849948 486994199 /nfs/dbraw/zinc/99/41/99/486994199.db2.gz GQLKEJDMWZOSGY-UHFFFAOYSA-N 1 1 182.267 2.215 20 0 AEADMO Nc1cccc(C[N@@H+]2CC=CCC2)c1 166120887 486994335 /nfs/dbraw/zinc/99/43/35/486994335.db2.gz RUNBZTBRIUYSED-UHFFFAOYSA-N 1 1 188.274 2.031 20 0 AEADMO CC(C)OCC[N@H+]1C[C@@H](C)C[C@@H](C)C1 680848884 486994353 /nfs/dbraw/zinc/99/43/53/486994353.db2.gz CENHBGSZJOZJHC-TXEJJXNPSA-N 1 1 199.338 2.389 20 0 AEADMO CC(C)OCC[N@H+]1CCCC[C@@H]1C 680853368 486994372 /nfs/dbraw/zinc/99/43/72/486994372.db2.gz JOVNSKDNQWCGLC-NSHDSACASA-N 1 1 185.311 2.286 20 0 AEADMO CC(C)OCC[N@H+]1CCCC[C@H]1C 680853364 486994414 /nfs/dbraw/zinc/99/44/14/486994414.db2.gz JOVNSKDNQWCGLC-LLVKDONJSA-N 1 1 185.311 2.286 20 0 AEADMO CCCC[N@@H+](C)CCOC(C)C 680849355 486994481 /nfs/dbraw/zinc/99/44/81/486994481.db2.gz MWRIXJBUDDTOMX-UHFFFAOYSA-N 1 1 173.300 2.143 20 0 AEADMO COCC[N@@H+](C)[C@@H](C)c1ccccc1 680866351 486994704 /nfs/dbraw/zinc/99/47/04/486994704.db2.gz DXROUCSSYXWGKT-NSHDSACASA-N 1 1 193.290 2.326 20 0 AEADMO CC(C)OCC[N@@H+](C)Cc1ccco1 680881149 486995169 /nfs/dbraw/zinc/99/51/69/486995169.db2.gz PQMIVWONERRXJS-UHFFFAOYSA-N 1 1 197.278 2.136 20 0 AEADMO CC[N@@H+](CCOC)Cc1cccs1 680872575 486995401 /nfs/dbraw/zinc/99/54/01/486995401.db2.gz ZAKYXNIBFRXQRV-UHFFFAOYSA-N 1 1 199.319 2.216 20 0 AEADMO COCC[N@@H+](C)[C@H](C)c1ccccc1 680866350 486995596 /nfs/dbraw/zinc/99/55/96/486995596.db2.gz DXROUCSSYXWGKT-LLVKDONJSA-N 1 1 193.290 2.326 20 0 AEADMO C[N@@H+](CCCc1ccncc1)C1CC1 680883061 486996847 /nfs/dbraw/zinc/99/68/47/486996847.db2.gz VIZDZZWROHLOEU-UHFFFAOYSA-N 1 1 190.290 2.108 20 0 AEADMO CCOCCC[N@H+]1CCCC2(CC2)C1 681169015 487012499 /nfs/dbraw/zinc/01/24/99/487012499.db2.gz SHZPMZLITWJWKT-UHFFFAOYSA-N 1 1 197.322 2.289 20 0 AEADMO CC(C)OCC[N@@H+](C)C1CCCC1 680941474 487001088 /nfs/dbraw/zinc/00/10/88/487001088.db2.gz JZONVQWRTKMVQG-UHFFFAOYSA-N 1 1 185.311 2.286 20 0 AEADMO COCC[N@@H+](C)[C@@H](C)c1cccs1 680940902 487001198 /nfs/dbraw/zinc/00/11/98/487001198.db2.gz LMDBFPWFPRVGPY-VIFPVBQESA-N 1 1 199.319 2.387 20 0 AEADMO Cc1ccc(C[N@@H+]2CC=CCC2)cn1 680934369 487001284 /nfs/dbraw/zinc/00/12/84/487001284.db2.gz OOHDXLCSBNPTLI-UHFFFAOYSA-N 1 1 188.274 2.152 20 0 AEADMO COCC[N@@H+](C)[C@H](C)c1cccs1 680940901 487001320 /nfs/dbraw/zinc/00/13/20/487001320.db2.gz LMDBFPWFPRVGPY-SECBINFHSA-N 1 1 199.319 2.387 20 0 AEADMO C[N@H+](CCN)CCC1CCCCCC1 168418724 487001955 /nfs/dbraw/zinc/00/19/55/487001955.db2.gz VCAHMFLDFSHBKE-UHFFFAOYSA-N 1 1 198.354 2.237 20 0 AEADMO C[N@@H+](CCN)CCC1CCCCCC1 168418724 487001958 /nfs/dbraw/zinc/00/19/58/487001958.db2.gz VCAHMFLDFSHBKE-UHFFFAOYSA-N 1 1 198.354 2.237 20 0 AEADMO C[NH2+]CCNCCC1CCCCCC1 168417168 487002298 /nfs/dbraw/zinc/00/22/98/487002298.db2.gz DURMQHOLNZIGFO-UHFFFAOYSA-N 1 1 198.354 2.156 20 0 AEADMO CC/C=C\CC[N@H+]1CCCC[C@@H]1CO 681018955 487004195 /nfs/dbraw/zinc/00/41/95/487004195.db2.gz IHCBUAPXPOECRF-VSQXVHSFSA-N 1 1 197.322 2.190 20 0 AEADMO CC/C=C\CC[N@@H+](CCO)CC1CC1 681018903 487004293 /nfs/dbraw/zinc/00/42/93/487004293.db2.gz GJAWKARUBVJPRX-ARJAWSKDSA-N 1 1 197.322 2.047 20 0 AEADMO CC/C=C/CC[N@H+]1CCCC[C@H]1CO 681018953 487004300 /nfs/dbraw/zinc/00/43/00/487004300.db2.gz IHCBUAPXPOECRF-PCAWENJQSA-N 1 1 197.322 2.190 20 0 AEADMO CC/C=C/CC[N@H+]1C[C@H](C)O[C@H](C)C1 681019196 487004458 /nfs/dbraw/zinc/00/44/58/487004458.db2.gz LRMSCQWBOWMZMF-MTJJXUSZSA-N 1 1 197.322 2.452 20 0 AEADMO CC/C=C\CC[N@H+]1C[C@H](C)OC[C@@H]1C 681019083 487004497 /nfs/dbraw/zinc/00/44/97/487004497.db2.gz QQRPIVKGEXOQMO-YGABWQLJSA-N 1 1 197.322 2.452 20 0 AEADMO CC/C=C\CC[N@H+]1C[C@H](C)O[C@H](C)C1 681019195 487004598 /nfs/dbraw/zinc/00/45/98/487004598.db2.gz LRMSCQWBOWMZMF-DLXAAPBESA-N 1 1 197.322 2.452 20 0 AEADMO CC/C=C/CC[N@H+]1C[C@H](C)OC[C@H]1C 681019079 487004626 /nfs/dbraw/zinc/00/46/26/487004626.db2.gz QQRPIVKGEXOQMO-AIIUZBJTSA-N 1 1 197.322 2.452 20 0 AEADMO CC/C=C/CC[N@H+]1CCC[C@@H](CO)C1 681019661 487004648 /nfs/dbraw/zinc/00/46/48/487004648.db2.gz ZEJHHYZVILWDNA-AAOUONPWSA-N 1 1 197.322 2.047 20 0 AEADMO CC/C=C/CC[N@H+]1C[C@H](C)OC[C@@H]1C 681019082 487004721 /nfs/dbraw/zinc/00/47/21/487004721.db2.gz QQRPIVKGEXOQMO-WTIVYXKASA-N 1 1 197.322 2.452 20 0 AEADMO CC/C=C\CC[N@H+]1C[C@H](C)OC[C@H]1C 681019080 487004743 /nfs/dbraw/zinc/00/47/43/487004743.db2.gz QQRPIVKGEXOQMO-DUVUQDDDSA-N 1 1 197.322 2.452 20 0 AEADMO CC/C=C\CC[N@H+]1CCC[C@H](CO)C1 681019663 487004752 /nfs/dbraw/zinc/00/47/52/487004752.db2.gz ZEJHHYZVILWDNA-MVZIDQBPSA-N 1 1 197.322 2.047 20 0 AEADMO CC/C=C\CC[N@H+]1CCCC[C@H]1CO 681018951 487004760 /nfs/dbraw/zinc/00/47/60/487004760.db2.gz IHCBUAPXPOECRF-MVZIDQBPSA-N 1 1 197.322 2.190 20 0 AEADMO CC/C=C/CC[N@H+]1CCC[C@H](CO)C1 681019664 487004825 /nfs/dbraw/zinc/00/48/25/487004825.db2.gz ZEJHHYZVILWDNA-PCAWENJQSA-N 1 1 197.322 2.047 20 0 AEADMO C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(C)(C)C 168834109 487004863 /nfs/dbraw/zinc/00/48/63/487004863.db2.gz XFAXKHXWZJZJNT-WDEREUQCSA-N 1 1 198.354 2.234 20 0 AEADMO CC/C=C/CC[N@H+]1CCCC[C@@H]1CO 681018949 487004879 /nfs/dbraw/zinc/00/48/79/487004879.db2.gz IHCBUAPXPOECRF-AAOUONPWSA-N 1 1 197.322 2.190 20 0 AEADMO CC/C=C\CC[N@H+]1CCC[C@@H](CO)C1 681019666 487004958 /nfs/dbraw/zinc/00/49/58/487004958.db2.gz ZEJHHYZVILWDNA-VSQXVHSFSA-N 1 1 197.322 2.047 20 0 AEADMO CC/C=C/CC[N@@H+](CCO)CC1CC1 681018904 487004968 /nfs/dbraw/zinc/00/49/68/487004968.db2.gz GJAWKARUBVJPRX-ONEGZZNKSA-N 1 1 197.322 2.047 20 0 AEADMO CCCC[N@@H+](C)[C@@H](C)c1cnccn1 681020102 487004986 /nfs/dbraw/zinc/00/49/86/487004986.db2.gz XHIKRDYLCAZMMJ-JTQLQIEISA-N 1 1 193.294 2.270 20 0 AEADMO C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(C)(C)C 168834192 487005062 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/nfs/dbraw/zinc/28/24/05/487282405.db2.gz LAKUJJKLJPVDHU-JQWIXIFHSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@H](N)C[NH2+][C@H](C)CCC1CC1 398077085 487282462 /nfs/dbraw/zinc/28/24/62/487282462.db2.gz LAKUJJKLJPVDHU-ZYHUDNBSSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@@H](N)C[NH2+][C@H](C)CCC1CC1 398077084 487282438 /nfs/dbraw/zinc/28/24/38/487282438.db2.gz LAKUJJKLJPVDHU-PWSUYJOCSA-N 1 1 198.354 2.138 20 0 AEADMO C[C@@H](CCC1CC1)[NH2+]CC1(N)CCC1 398068068 487282529 /nfs/dbraw/zinc/28/25/29/487282529.db2.gz IAGFBKRLRPBFQO-JTQLQIEISA-N 1 1 196.338 2.036 20 0 AEADMO CCCNCC[NH2+][C@@H](C)CCC1CC1 398071899 487282541 /nfs/dbraw/zinc/28/25/41/487282541.db2.gz JJNNCIFHXGOJHM-NSHDSACASA-N 1 1 198.354 2.154 20 0 AEADMO CCC[NH2+]CCN[C@@H](C)CCC1CC1 398071899 487282545 /nfs/dbraw/zinc/28/25/45/487282545.db2.gz JJNNCIFHXGOJHM-NSHDSACASA-N 1 1 198.354 2.154 20 0 AEADMO CC(C)[C@H](N)C[NH2+][C@@H](C)CCC1CC1 398077080 487282797 /nfs/dbraw/zinc/28/27/97/487282797.db2.gz LAKUJJKLJPVDHU-CMPLNLGQSA-N 1 1 198.354 2.138 20 0 AEADMO OC[C@@H]1CCCC[N@H+]1CCC1CCC1 398619110 487284690 /nfs/dbraw/zinc/28/46/90/487284690.db2.gz MZXHKMHAMNCTJN-LBPRGKRZSA-N 1 1 197.322 2.023 20 0 AEADMO OCC[C@H]1CCC[N@H+]1CCC1CCC1 398613559 487284817 /nfs/dbraw/zinc/28/48/17/487284817.db2.gz LJVBNNWSTNONLX-GFCCVEGCSA-N 1 1 197.322 2.023 20 0 AEADMO OCC[N@@H+](CCC1CCC1)C1CCC1 398581487 487284899 /nfs/dbraw/zinc/28/48/99/487284899.db2.gz IHHKSZMFRBVWDG-UHFFFAOYSA-N 1 1 197.322 2.023 20 0 AEADMO CC[C@H](C)[N@@H+](CCO)CCC1CCC1 398586308 487284955 /nfs/dbraw/zinc/28/49/55/487284955.db2.gz JVCXQBJCXWGSHV-NSHDSACASA-N 1 1 199.338 2.269 20 0 AEADMO CCCC[N@@H+](CCO)CCC1CCC1 398613198 487285000 /nfs/dbraw/zinc/28/50/00/487285000.db2.gz LFAZJJGFSUMOMQ-UHFFFAOYSA-N 1 1 199.338 2.271 20 0 AEADMO OC[C@H]1CCCC[N@H+]1CCC1CCC1 398619109 487285043 /nfs/dbraw/zinc/28/50/43/487285043.db2.gz MZXHKMHAMNCTJN-GFCCVEGCSA-N 1 1 197.322 2.023 20 0 AEADMO OCC[C@@H]1CCC[N@H+]1CCC1CCC1 398613564 487285050 /nfs/dbraw/zinc/28/50/50/487285050.db2.gz LJVBNNWSTNONLX-LBPRGKRZSA-N 1 1 197.322 2.023 20 0 AEADMO C[C@H]([N@@H+](C)CCC1CCC1)C(C)(C)O 398470148 487285059 /nfs/dbraw/zinc/28/50/59/487285059.db2.gz OWVCRJNBNZMGTF-JTQLQIEISA-N 1 1 199.338 2.268 20 0 AEADMO CC[C@@H](C)[N@@H+](CCO)CCC1CCC1 398586305 487285122 /nfs/dbraw/zinc/28/51/22/487285122.db2.gz JVCXQBJCXWGSHV-LLVKDONJSA-N 1 1 199.338 2.269 20 0 AEADMO C[N@@H+](CCCCCO)CCC1CCC1 398503776 487285220 /nfs/dbraw/zinc/28/52/20/487285220.db2.gz AVQZZDBIVDXFCU-UHFFFAOYSA-N 1 1 199.338 2.271 20 0 AEADMO CC[N@@H+](CCC1CCC1)CC(C)(C)O 398407972 487285287 /nfs/dbraw/zinc/28/52/87/487285287.db2.gz AKUNWNRCDWUXIH-UHFFFAOYSA-N 1 1 199.338 2.269 20 0 AEADMO C[C@@H]([N@@H+](C)CCC1CCC1)C(C)(C)O 398470149 487285292 /nfs/dbraw/zinc/28/52/92/487285292.db2.gz OWVCRJNBNZMGTF-SNVBAGLBSA-N 1 1 199.338 2.268 20 0 AEADMO OCCC[N@@H+](CCC1CCC1)C1CC1 404209036 487292385 /nfs/dbraw/zinc/29/23/85/487292385.db2.gz DYNZFBSEXPFLQK-UHFFFAOYSA-N 1 1 197.322 2.023 20 0 AEADMO Cc1[nH+]ccn1CC1CC=CC1 606249381 487302802 /nfs/dbraw/zinc/30/28/02/487302802.db2.gz SZGDQVWKPHMPGG-UHFFFAOYSA-N 1 1 162.236 2.158 20 0 AEADMO Cc1[nH+]cn(CC2CC=CC2)c1C 606254105 487302865 /nfs/dbraw/zinc/30/28/65/487302865.db2.gz RSEITSMBUHACFP-UHFFFAOYSA-N 1 1 176.263 2.466 20 0 AEADMO Cc1nc(C[NH+]2CCCCC2)[nH]c1C 606266959 487305196 /nfs/dbraw/zinc/30/51/96/487305196.db2.gz SXLHZMRMLAPRQB-UHFFFAOYSA-N 1 1 193.294 2.012 20 0 AEADMO CC1(C)CC[N@@H+](CCO)CC(C)(C)C1 606273004 487305483 /nfs/dbraw/zinc/30/54/83/487305483.db2.gz VGJJIJCZTWRMBA-UHFFFAOYSA-N 1 1 199.338 2.127 20 0 AEADMO CC1(C)CC[N@@H+](CCN)CC(C)(C)C1 606274799 487306133 /nfs/dbraw/zinc/30/61/33/487306133.db2.gz PUONELHMGOFMGB-UHFFFAOYSA-N 1 1 198.354 2.093 20 0 AEADMO CC1(C)CCN(CC[NH3+])CC(C)(C)C1 606274799 487306135 /nfs/dbraw/zinc/30/61/35/487306135.db2.gz PUONELHMGOFMGB-UHFFFAOYSA-N 1 1 198.354 2.093 20 0 AEADMO CC[C@@]1(O)CCC[N@H+](C2CCCC2)C1 606274141 487306141 /nfs/dbraw/zinc/30/61/41/487306141.db2.gz WTCUUTVJHRUHDR-GFCCVEGCSA-N 1 1 197.322 2.166 20 0 AEADMO CC[C@]1(O)CCC[N@H+](C2CCCC2)C1 606274142 487306261 /nfs/dbraw/zinc/30/62/61/487306261.db2.gz WTCUUTVJHRUHDR-LBPRGKRZSA-N 1 1 197.322 2.166 20 0 AEADMO CCSCC[N@@H+](C)Cc1ccoc1 610212528 487306502 /nfs/dbraw/zinc/30/65/02/487306502.db2.gz KMSKDKCOJHBORR-UHFFFAOYSA-N 1 1 199.319 2.465 20 0 AEADMO CCSCC[N@@H+](CC)C1CC1 610211988 487306523 /nfs/dbraw/zinc/30/65/23/487306523.db2.gz MCBDZNSMTWGVPJ-UHFFFAOYSA-N 1 1 173.325 2.224 20 0 AEADMO CCCC[C@@H](CC)NC[C@H]1CCC[NH2+]1 666783913 487339334 /nfs/dbraw/zinc/33/93/34/487339334.db2.gz NSODLLVKSOGECF-VXGBXAGGSA-N 1 1 198.354 2.297 20 0 AEADMO CCCC[C@@H](CC)NC[C@@H]1CCC[NH2+]1 666783909 487339344 /nfs/dbraw/zinc/33/93/44/487339344.db2.gz NSODLLVKSOGECF-NEPJUHHUSA-N 1 1 198.354 2.297 20 0 AEADMO CC[N@@H+](CCOC)Cc1ccoc1C 666293654 487326929 /nfs/dbraw/zinc/32/69/29/487326929.db2.gz MFHTYKLXWZYNAV-UHFFFAOYSA-N 1 1 197.278 2.056 20 0 AEADMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cn[nH]c1 666455019 487330421 /nfs/dbraw/zinc/33/04/21/487330421.db2.gz OIUHYELEGUNWAM-VIFPVBQESA-N 1 1 193.294 2.030 20 0 AEADMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cn[nH]c1 666455018 487330628 /nfs/dbraw/zinc/33/06/28/487330628.db2.gz OIUHYELEGUNWAM-SECBINFHSA-N 1 1 193.294 2.030 20 0 AEADMO CCC[C@@H](CC)[NH2+]C[C@H](N)C(C)C 666741262 487333126 /nfs/dbraw/zinc/33/31/26/487333126.db2.gz HTZYLMLHYZKBJM-MNOVXSKESA-N 1 1 186.343 2.138 20 0 AEADMO CC(C)[C@H](N)C[NH2+]CC1CCCCC1 666741139 487333091 /nfs/dbraw/zinc/33/30/91/487333091.db2.gz VZAMNGLSNNOYRD-GFCCVEGCSA-N 1 1 198.354 2.140 20 0 AEADMO CCC[C@H](CC)[NH2+]C[C@@H](N)C(C)C 666741264 487333142 /nfs/dbraw/zinc/33/31/42/487333142.db2.gz HTZYLMLHYZKBJM-WDEREUQCSA-N 1 1 186.343 2.138 20 0 AEADMO CC(C)[C@H](N)C[NH2+][C@H](C)CC1CCC1 666741308 487333271 /nfs/dbraw/zinc/33/32/71/487333271.db2.gz POCSXOUJIRMCNQ-ZYHUDNBSSA-N 1 1 198.354 2.138 20 0 AEADMO CCC[C@@H](CC)[NH2+]C[C@@H](N)C(C)C 666741261 487333278 /nfs/dbraw/zinc/33/32/78/487333278.db2.gz HTZYLMLHYZKBJM-GHMZBOCLSA-N 1 1 186.343 2.138 20 0 AEADMO CC(C)[C@@H](N)C[NH2+][C@H](C)CC1CCC1 666741307 487333330 /nfs/dbraw/zinc/33/33/30/487333330.db2.gz POCSXOUJIRMCNQ-PWSUYJOCSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@@H](N)C[NH2+][C@@H](C)CC1CCC1 666741306 487333371 /nfs/dbraw/zinc/33/33/71/487333371.db2.gz POCSXOUJIRMCNQ-JQWIXIFHSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@@H](N)C[NH2+]CC1CCCCC1 666741140 487333464 /nfs/dbraw/zinc/33/34/64/487333464.db2.gz VZAMNGLSNNOYRD-LBPRGKRZSA-N 1 1 198.354 2.140 20 0 AEADMO CC(C)[C@H](N)C[NH2+][C@@H](C)CC1CCC1 666741305 487333473 /nfs/dbraw/zinc/33/34/73/487333473.db2.gz POCSXOUJIRMCNQ-CMPLNLGQSA-N 1 1 198.354 2.138 20 0 AEADMO CCC[C@H](CC)[NH2+]C[C@H](N)C(C)C 666741263 487333563 /nfs/dbraw/zinc/33/35/63/487333563.db2.gz HTZYLMLHYZKBJM-QWRGUYRKSA-N 1 1 186.343 2.138 20 0 AEADMO CC(C)[C@@H](N)C[NH2+][C@@H]1CCCC1(C)C 666741385 487333842 /nfs/dbraw/zinc/33/38/42/487333842.db2.gz FIEUXVVBOOUOGJ-WDEREUQCSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@H](N)C[NH2+][C@H]1CCCC[C@H]1C 666741429 487333861 /nfs/dbraw/zinc/33/38/61/487333861.db2.gz RVWZKJKAQRVQDX-UTUOFQBUSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@H](N)C[NH2+][C@@H]1CCCC[C@@H]1C 666741427 487333962 /nfs/dbraw/zinc/33/39/62/487333962.db2.gz RVWZKJKAQRVQDX-QJPTWQEYSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@H](N)C[NH2+][C@H]1CCCC1(C)C 666741383 487334111 /nfs/dbraw/zinc/33/41/11/487334111.db2.gz FIEUXVVBOOUOGJ-MNOVXSKESA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@@H](N)C[NH2+][C@@H]1CCC[C@@H](C)C1 666741390 487334118 /nfs/dbraw/zinc/33/41/18/487334118.db2.gz KDYGRTHNPLDHKA-UTUOFQBUSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@H](N)C[NH2+][C@@H]1CCCC[C@H]1C 666741426 487334133 /nfs/dbraw/zinc/33/41/33/487334133.db2.gz RVWZKJKAQRVQDX-IJLUTSLNSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@H](N)C[NH2+][C@@H]1CCCC1(C)C 666741382 487334188 /nfs/dbraw/zinc/33/41/88/487334188.db2.gz FIEUXVVBOOUOGJ-GHMZBOCLSA-N 1 1 198.354 2.138 20 0 AEADMO CC1CCC([NH2+]C[C@@H](N)C(C)C)CC1 666741421 487334196 /nfs/dbraw/zinc/33/41/96/487334196.db2.gz RETXZQGSTPRCQZ-HTAVTVPLSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@H](N)C[NH2+][C@H]1CCC[C@@H](C)C1 666741388 487334262 /nfs/dbraw/zinc/33/42/62/487334262.db2.gz KDYGRTHNPLDHKA-GRYCIOLGSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@H](N)C[NH2+][C@H]1CCCC[C@@H]1C 666741428 487334295 /nfs/dbraw/zinc/33/42/95/487334295.db2.gz RVWZKJKAQRVQDX-TUAOUCFPSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@H](N)C[NH2+][C@@H]1CCC[C@@H](C)C1 666741389 487334381 /nfs/dbraw/zinc/33/43/81/487334381.db2.gz KDYGRTHNPLDHKA-IJLUTSLNSA-N 1 1 198.354 2.138 20 0 AEADMO CC1CCC([NH2+]C[C@H](N)C(C)C)CC1 666741422 487334530 /nfs/dbraw/zinc/33/45/30/487334530.db2.gz RETXZQGSTPRCQZ-MCIGGMRASA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@@H](N)C[NH2+][C@H]1CCCC1(C)C 666741384 487334572 /nfs/dbraw/zinc/33/45/72/487334572.db2.gz FIEUXVVBOOUOGJ-QWRGUYRKSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@@H](N)C[NH2+][C@H]1CCC[C@@H](C)C1 666741391 487334605 /nfs/dbraw/zinc/33/46/05/487334605.db2.gz KDYGRTHNPLDHKA-WOPDTQHZSA-N 1 1 198.354 2.138 20 0 AEADMO CCCC(CCC)[NH2+]CC(C)(C)N 666752826 487334820 /nfs/dbraw/zinc/33/48/20/487334820.db2.gz NEOQECHAAHWEJA-UHFFFAOYSA-N 1 1 186.343 2.282 20 0 AEADMO CCC(N)(CC)C[NH2+][C@@H]1CCC[C@@H]1C 666753769 487334960 /nfs/dbraw/zinc/33/49/60/487334960.db2.gz ICNZEFMVWAUNMM-WDEREUQCSA-N 1 1 198.354 2.282 20 0 AEADMO CCC(N)(CC)C[NH2+][C@@H]1CCC[C@H]1C 666753766 487335053 /nfs/dbraw/zinc/33/50/53/487335053.db2.gz ICNZEFMVWAUNMM-GHMZBOCLSA-N 1 1 198.354 2.282 20 0 AEADMO CCC(N)(CC)C[NH2+][C@@H](C)CC1CC1 666753835 487335075 /nfs/dbraw/zinc/33/50/75/487335075.db2.gz VPGWSLGIKUJZGA-JTQLQIEISA-N 1 1 198.354 2.282 20 0 AEADMO CCCC[C@@H](CC)[NH2+]CC(C)(C)N 666752838 487335136 /nfs/dbraw/zinc/33/51/36/487335136.db2.gz YWDAWODRZDOJRW-SNVBAGLBSA-N 1 1 186.343 2.282 20 0 AEADMO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)N 666752783 487335178 /nfs/dbraw/zinc/33/51/78/487335178.db2.gz AKGIQRDWTALJCM-MNOVXSKESA-N 1 1 198.354 2.138 20 0 AEADMO CCC(N)(CC)C[NH2+][C@H](C)C1CCC1 666754585 487335224 /nfs/dbraw/zinc/33/52/24/487335224.db2.gz TVLAHRBEOFCGAN-SNVBAGLBSA-N 1 1 198.354 2.282 20 0 AEADMO CCC(N)(CC)C[NH2+][C@H]1CCC[C@H]1C 666753767 487335298 /nfs/dbraw/zinc/33/52/98/487335298.db2.gz ICNZEFMVWAUNMM-MNOVXSKESA-N 1 1 198.354 2.282 20 0 AEADMO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)N 666752786 487335314 /nfs/dbraw/zinc/33/53/14/487335314.db2.gz AKGIQRDWTALJCM-WDEREUQCSA-N 1 1 198.354 2.138 20 0 AEADMO CCC(N)(CC)C[NH2+][C@H]1CCC[C@@H]1C 666753768 487335328 /nfs/dbraw/zinc/33/53/28/487335328.db2.gz ICNZEFMVWAUNMM-QWRGUYRKSA-N 1 1 198.354 2.282 20 0 AEADMO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)N 666752785 487335349 /nfs/dbraw/zinc/33/53/49/487335349.db2.gz AKGIQRDWTALJCM-QWRGUYRKSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@H]1CCC[C@H]1[NH2+]CC(C)(C)N 666752781 487335415 /nfs/dbraw/zinc/33/54/15/487335415.db2.gz AKGIQRDWTALJCM-GHMZBOCLSA-N 1 1 198.354 2.138 20 0 AEADMO C[C@@H](CC1CCCC1)[NH2+]CC(C)(C)N 666752832 487335421 /nfs/dbraw/zinc/33/54/21/487335421.db2.gz SGIRUUWHOZTLSQ-JTQLQIEISA-N 1 1 198.354 2.282 20 0 AEADMO CCCC[C@H](CC)[NH2+]CC(C)(C)N 666752836 487335427 /nfs/dbraw/zinc/33/54/27/487335427.db2.gz YWDAWODRZDOJRW-JTQLQIEISA-N 1 1 186.343 2.282 20 0 AEADMO CCC(N)(CC)C[NH2+][C@@H](C)C1CCC1 666754584 487335438 /nfs/dbraw/zinc/33/54/38/487335438.db2.gz TVLAHRBEOFCGAN-JTQLQIEISA-N 1 1 198.354 2.282 20 0 AEADMO C[C@H](CC1CCCC1)[NH2+]CC(C)(C)N 666752833 487335488 /nfs/dbraw/zinc/33/54/88/487335488.db2.gz SGIRUUWHOZTLSQ-SNVBAGLBSA-N 1 1 198.354 2.282 20 0 AEADMO CCC(N)(CC)C[NH2+][C@H](C)CC1CC1 666753836 487335505 /nfs/dbraw/zinc/33/55/05/487335505.db2.gz VPGWSLGIKUJZGA-SNVBAGLBSA-N 1 1 198.354 2.282 20 0 AEADMO C[NH2+]CCN[C@@H](C)CCC1CCCC1 666779019 487336821 /nfs/dbraw/zinc/33/68/21/487336821.db2.gz YBINORCGYXIEQF-NSHDSACASA-N 1 1 198.354 2.154 20 0 AEADMO C[NH2+]CCN[C@H](C)CCC1CCCC1 666779018 487337086 /nfs/dbraw/zinc/33/70/86/487337086.db2.gz YBINORCGYXIEQF-LLVKDONJSA-N 1 1 198.354 2.154 20 0 AEADMO CC(C)C[C@@H](C)CNC[C@H]1CCC[NH2+]1 666783917 487338950 /nfs/dbraw/zinc/33/89/50/487338950.db2.gz OIAARZAGHCDZCP-VXGBXAGGSA-N 1 1 198.354 2.010 20 0 AEADMO CC(C)C[C@H](C)CNC[C@H]1CCC[NH2+]1 666783915 487338737 /nfs/dbraw/zinc/33/87/37/487338737.db2.gz OIAARZAGHCDZCP-NWDGAFQWSA-N 1 1 198.354 2.010 20 0 AEADMO CCCC(CCC)NC[C@H]1CCC[NH2+]1 666783306 487338764 /nfs/dbraw/zinc/33/87/64/487338764.db2.gz YXIDJRYOHKCPOY-GFCCVEGCSA-N 1 1 198.354 2.297 20 0 AEADMO CCCC[C@H](CC)NC[C@H]1CCC[NH2+]1 666783910 487338788 /nfs/dbraw/zinc/33/87/88/487338788.db2.gz NSODLLVKSOGECF-NWDGAFQWSA-N 1 1 198.354 2.297 20 0 AEADMO CCCC(CCC)NC[C@@H]1CCC[NH2+]1 666783307 487338934 /nfs/dbraw/zinc/33/89/34/487338934.db2.gz YXIDJRYOHKCPOY-LBPRGKRZSA-N 1 1 198.354 2.297 20 0 AEADMO CCCC[C@H](CC)NC[C@@H]1CCC[NH2+]1 666783911 487339041 /nfs/dbraw/zinc/33/90/41/487339041.db2.gz NSODLLVKSOGECF-RYUDHWBXSA-N 1 1 198.354 2.297 20 0 AEADMO CC(C)C[C@H](C)CNC[C@@H]1CCC[NH2+]1 666783916 487339189 /nfs/dbraw/zinc/33/91/89/487339189.db2.gz OIAARZAGHCDZCP-RYUDHWBXSA-N 1 1 198.354 2.010 20 0 AEADMO CC(C)C[C@@H](C)CNC[C@@H]1CCC[NH2+]1 666783914 487339285 /nfs/dbraw/zinc/33/92/85/487339285.db2.gz OIAARZAGHCDZCP-NEPJUHHUSA-N 1 1 198.354 2.010 20 0 AEADMO C[C@@H](CC1CCC1)[NH2+]CC1(N)CCC1 666827576 487340409 /nfs/dbraw/zinc/34/04/09/487340409.db2.gz BFHBJLGKOVTCFC-JTQLQIEISA-N 1 1 196.338 2.036 20 0 AEADMO CC(C)C[C@H](C)C[NH2+]CC1(N)CCC1 666827614 487340528 /nfs/dbraw/zinc/34/05/28/487340528.db2.gz OCTABJFCUYDSCQ-NSHDSACASA-N 1 1 198.354 2.140 20 0 AEADMO CCCC[C@H](CC)[NH2+]CC1(N)CCC1 666827593 487340581 /nfs/dbraw/zinc/34/05/81/487340581.db2.gz IPFAYQYISLQXET-NSHDSACASA-N 1 1 198.354 2.426 20 0 AEADMO CCCC[C@@H](CC)[NH2+]CC1(N)CCC1 666827592 487340507 /nfs/dbraw/zinc/34/05/07/487340507.db2.gz IPFAYQYISLQXET-LLVKDONJSA-N 1 1 198.354 2.426 20 0 AEADMO CC(C)CC[C@@H](C)[NH2+]CC1(N)CCC1 666827623 487340617 /nfs/dbraw/zinc/34/06/17/487340617.db2.gz PHPHZJLFYKEIDF-LLVKDONJSA-N 1 1 198.354 2.282 20 0 AEADMO C[C@H](CC1CCC1)[NH2+]CC1(N)CCC1 666827577 487340670 /nfs/dbraw/zinc/34/06/70/487340670.db2.gz BFHBJLGKOVTCFC-SNVBAGLBSA-N 1 1 196.338 2.036 20 0 AEADMO CCCNCC[NH2+][C@@H]1CCCC1(C)C 666820064 487340782 /nfs/dbraw/zinc/34/07/82/487340782.db2.gz SVNPVAMCWQVORS-LLVKDONJSA-N 1 1 198.354 2.154 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C 666911151 487348009 /nfs/dbraw/zinc/34/80/09/487348009.db2.gz BGTJXFYFCLLSTQ-WHOHXGKFSA-N 1 1 198.354 2.138 20 0 AEADMO CCCNCC[NH2+][C@H]1CCCC1(C)C 666820065 487340880 /nfs/dbraw/zinc/34/08/80/487340880.db2.gz SVNPVAMCWQVORS-NSHDSACASA-N 1 1 198.354 2.154 20 0 AEADMO CCCNCC[NH2+][C@@H](C)CC1CCC1 666820782 487340929 /nfs/dbraw/zinc/34/09/29/487340929.db2.gz ACPAERPMTKIUHW-NSHDSACASA-N 1 1 198.354 2.154 20 0 AEADMO CCC[NH2+]CCN[C@@H](C)CC1CCC1 666820782 487340932 /nfs/dbraw/zinc/34/09/32/487340932.db2.gz ACPAERPMTKIUHW-NSHDSACASA-N 1 1 198.354 2.154 20 0 AEADMO CC(C)C[C@@H](C)C[NH2+]CC1(N)CCC1 666827613 487340950 /nfs/dbraw/zinc/34/09/50/487340950.db2.gz OCTABJFCUYDSCQ-LLVKDONJSA-N 1 1 198.354 2.140 20 0 AEADMO CCCNCC[NH2+][C@H](C)CC1CCC1 666820781 487340976 /nfs/dbraw/zinc/34/09/76/487340976.db2.gz ACPAERPMTKIUHW-LLVKDONJSA-N 1 1 198.354 2.154 20 0 AEADMO CCC[NH2+]CCN[C@H](C)CC1CCC1 666820781 487340979 /nfs/dbraw/zinc/34/09/79/487340979.db2.gz ACPAERPMTKIUHW-LLVKDONJSA-N 1 1 198.354 2.154 20 0 AEADMO CCCC[C@H](CC)[NH2+]C[C@H](N)C1CC1 666835045 487341020 /nfs/dbraw/zinc/34/10/20/487341020.db2.gz KYVIFRWTNIRWHO-RYUDHWBXSA-N 1 1 198.354 2.282 20 0 AEADMO CCCC(CCC)[NH2+]C[C@H](N)C1CC1 666835032 487341040 /nfs/dbraw/zinc/34/10/40/487341040.db2.gz HAVCNYFHGMQPBO-LBPRGKRZSA-N 1 1 198.354 2.282 20 0 AEADMO CCCC[C@H](CC)[NH2+]C[C@@H](N)C1CC1 666835044 487341099 /nfs/dbraw/zinc/34/10/99/487341099.db2.gz KYVIFRWTNIRWHO-NWDGAFQWSA-N 1 1 198.354 2.282 20 0 AEADMO CCCC[C@@H](CC)[NH2+]C[C@H](N)C1CC1 666835043 487341198 /nfs/dbraw/zinc/34/11/98/487341198.db2.gz KYVIFRWTNIRWHO-NEPJUHHUSA-N 1 1 198.354 2.282 20 0 AEADMO CCCC(CCC)[NH2+]C[C@@H](N)C1CC1 666835031 487341283 /nfs/dbraw/zinc/34/12/83/487341283.db2.gz HAVCNYFHGMQPBO-GFCCVEGCSA-N 1 1 198.354 2.282 20 0 AEADMO CCCC(CCC)[NH2+]CC1(N)CCC1 666828459 487341320 /nfs/dbraw/zinc/34/13/20/487341320.db2.gz XSEPVSUPXZSMIM-UHFFFAOYSA-N 1 1 198.354 2.426 20 0 AEADMO CCC[C@H](CC)[NH2+]CC1(N)CCC1 666827628 487341339 /nfs/dbraw/zinc/34/13/39/487341339.db2.gz UNTMBQYAICPVAV-JTQLQIEISA-N 1 1 184.327 2.036 20 0 AEADMO CCCC[C@@H](CC)[NH2+]C[C@@H](N)C1CC1 666835046 487341349 /nfs/dbraw/zinc/34/13/49/487341349.db2.gz KYVIFRWTNIRWHO-VXGBXAGGSA-N 1 1 198.354 2.282 20 0 AEADMO CC(C)CC[C@@H](C)[NH2+]C[C@H](N)C1CC1 666835058 487341356 /nfs/dbraw/zinc/34/13/56/487341356.db2.gz QSLBUQXYPAFCDR-PWSUYJOCSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)CC[C@H](C)[NH2+]C[C@@H](N)C1CC1 666835056 487341375 /nfs/dbraw/zinc/34/13/75/487341375.db2.gz QSLBUQXYPAFCDR-CMPLNLGQSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)CC[C@H](C)[NH2+]CC1(N)CCC1 666827624 487341460 /nfs/dbraw/zinc/34/14/60/487341460.db2.gz PHPHZJLFYKEIDF-NSHDSACASA-N 1 1 198.354 2.282 20 0 AEADMO CC(C)CC[C@H](C)[NH2+]C[C@H](N)C1CC1 666835057 487341553 /nfs/dbraw/zinc/34/15/53/487341553.db2.gz QSLBUQXYPAFCDR-JQWIXIFHSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)CC[C@@H](C)[NH2+]C[C@@H](N)C1CC1 666835059 487341623 /nfs/dbraw/zinc/34/16/23/487341623.db2.gz QSLBUQXYPAFCDR-ZYHUDNBSSA-N 1 1 198.354 2.138 20 0 AEADMO CCC[C@@H](CC)[NH2+]CC1(N)CCC1 666827629 487341713 /nfs/dbraw/zinc/34/17/13/487341713.db2.gz UNTMBQYAICPVAV-SNVBAGLBSA-N 1 1 184.327 2.036 20 0 AEADMO CCN[C@H](C)C[NH2+][C@H](C)CC1CCC1 666878527 487344940 /nfs/dbraw/zinc/34/49/40/487344940.db2.gz GJIOYKVQQVEOTK-GHMZBOCLSA-N 1 1 198.354 2.153 20 0 AEADMO CCCC[C@H](C)[NH2+]C[C@@H](C)NCC 666877401 487345017 /nfs/dbraw/zinc/34/50/17/487345017.db2.gz NRIQOKICHRLWMA-WDEREUQCSA-N 1 1 186.343 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C 666877389 487345027 /nfs/dbraw/zinc/34/50/27/487345027.db2.gz HAAAXMWUDNRGOO-IJLUTSLNSA-N 1 1 198.354 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+][C@H]1CCC(C)(C)C1 666877420 487345063 /nfs/dbraw/zinc/34/50/63/487345063.db2.gz WPNAYRVADRMZKP-MNOVXSKESA-N 1 1 198.354 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+][C@H]1CCC[C@@H](C)C1 666877369 487345072 /nfs/dbraw/zinc/34/50/72/487345072.db2.gz AQGMFPJRPMPTOO-UTUOFQBUSA-N 1 1 198.354 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C 666877392 487345095 /nfs/dbraw/zinc/34/50/95/487345095.db2.gz HAAAXMWUDNRGOO-UTUOFQBUSA-N 1 1 198.354 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+]CCCC(C)C 666878589 487345004 /nfs/dbraw/zinc/34/50/04/487345004.db2.gz QWOSNYCMVOTWBN-LLVKDONJSA-N 1 1 186.343 2.010 20 0 AEADMO CCN[C@H](C)C[NH2+][C@@H](C)CC1CCC1 666878528 487345142 /nfs/dbraw/zinc/34/51/42/487345142.db2.gz GJIOYKVQQVEOTK-WDEREUQCSA-N 1 1 198.354 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+]CC(CC)CC 666877227 487345148 /nfs/dbraw/zinc/34/51/48/487345148.db2.gz GDGCAJRVVPBFNX-SNVBAGLBSA-N 1 1 186.343 2.010 20 0 AEADMO CCN[C@H](C)C[NH2+]CCC(C)(C)C 666878601 487345159 /nfs/dbraw/zinc/34/51/59/487345159.db2.gz VXQKODREJRRTBG-SNVBAGLBSA-N 1 1 186.343 2.010 20 0 AEADMO CCN[C@H](C)C[NH2+]CC1CCCCC1 666877236 487345165 /nfs/dbraw/zinc/34/51/65/487345165.db2.gz KUKPRLKZYFXJMN-LLVKDONJSA-N 1 1 198.354 2.154 20 0 AEADMO CCN[C@H](C)C[NH2+][C@H]1CCCC1(C)C 666877386 487345177 /nfs/dbraw/zinc/34/51/77/487345177.db2.gz GKAUEKFWWBTMSK-MNOVXSKESA-N 1 1 198.354 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+][C@@H]1CCCC1(C)C 666877385 487345201 /nfs/dbraw/zinc/34/52/01/487345201.db2.gz GKAUEKFWWBTMSK-GHMZBOCLSA-N 1 1 198.354 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+]C1CCC(C)CC1 666877393 487345237 /nfs/dbraw/zinc/34/52/37/487345237.db2.gz HIQSTNZXHAPUAV-MOENNCHZSA-N 1 1 198.354 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+][C@H](C)CC(C)C 666877364 487345260 /nfs/dbraw/zinc/34/52/60/487345260.db2.gz ACDUMMNRHJLFPT-GHMZBOCLSA-N 1 1 186.343 2.009 20 0 AEADMO CCN[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C 666877391 487345276 /nfs/dbraw/zinc/34/52/76/487345276.db2.gz HAAAXMWUDNRGOO-TUAOUCFPSA-N 1 1 198.354 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+][C@@H](C)CC(C)C 666877365 487345309 /nfs/dbraw/zinc/34/53/09/487345309.db2.gz ACDUMMNRHJLFPT-WDEREUQCSA-N 1 1 186.343 2.009 20 0 AEADMO CCN[C@H](C)C[NH2+][C@@H]1CCC(C)(C)C1 666877419 487345416 /nfs/dbraw/zinc/34/54/16/487345416.db2.gz WPNAYRVADRMZKP-GHMZBOCLSA-N 1 1 198.354 2.153 20 0 AEADMO CCC[C@H](CC)[NH2+]C[C@@H](C)NCC 666877405 487345444 /nfs/dbraw/zinc/34/54/44/487345444.db2.gz PNNOUDGGMNPBTP-MNOVXSKESA-N 1 1 186.343 2.153 20 0 AEADMO CCC[C@@H](CC)[NH2+]C[C@@H](C)NCC 666877404 487345479 /nfs/dbraw/zinc/34/54/79/487345479.db2.gz PNNOUDGGMNPBTP-GHMZBOCLSA-N 1 1 186.343 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+][C@H](C)CCC1CC1 666878597 487345492 /nfs/dbraw/zinc/34/54/92/487345492.db2.gz UNMYKZZUIKINIR-GHMZBOCLSA-N 1 1 198.354 2.153 20 0 AEADMO CCCC[C@@H](C)[NH2+]C[C@@H](C)NCC 666877400 487345524 /nfs/dbraw/zinc/34/55/24/487345524.db2.gz NRIQOKICHRLWMA-GHMZBOCLSA-N 1 1 186.343 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+][C@@H]1CCC[C@H](C)C1 666877367 487345546 /nfs/dbraw/zinc/34/55/46/487345546.db2.gz AQGMFPJRPMPTOO-QJPTWQEYSA-N 1 1 198.354 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+][C@@H](C)CCC1CC1 666878598 487345606 /nfs/dbraw/zinc/34/56/06/487345606.db2.gz UNMYKZZUIKINIR-WDEREUQCSA-N 1 1 198.354 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C)C1 666877366 487345662 /nfs/dbraw/zinc/34/56/62/487345662.db2.gz AQGMFPJRPMPTOO-IJLUTSLNSA-N 1 1 198.354 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+]C1CCCCCC1 666877375 487345671 /nfs/dbraw/zinc/34/56/71/487345671.db2.gz CWKPWTNCVNMPRQ-LLVKDONJSA-N 1 1 198.354 2.297 20 0 AEADMO CCN[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C 666877390 487345714 /nfs/dbraw/zinc/34/57/14/487345714.db2.gz HAAAXMWUDNRGOO-QJPTWQEYSA-N 1 1 198.354 2.153 20 0 AEADMO CCN[C@H](C)C[NH2+][C@H]1CCC[C@H](C)C1 666877368 487345754 /nfs/dbraw/zinc/34/57/54/487345754.db2.gz AQGMFPJRPMPTOO-TUAOUCFPSA-N 1 1 198.354 2.153 20 0 AEADMO CCCC[C@@H](CC)[NH2+]C[C@H](N)CC 666911254 487347954 /nfs/dbraw/zinc/34/79/54/487347954.db2.gz RXXNYXBRRRUUEE-GHMZBOCLSA-N 1 1 186.343 2.282 20 0 AEADMO CC[C@H](N)C[NH2+]C[C@H]1CCCC[C@@H]1C 666910404 487347965 /nfs/dbraw/zinc/34/79/65/487347965.db2.gz BJUCVYBBQXHYCE-TUAOUCFPSA-N 1 1 198.354 2.140 20 0 AEADMO CCCC[C@H](CC)[NH2+]C[C@@H](N)CC 666911256 487347994 /nfs/dbraw/zinc/34/79/94/487347994.db2.gz RXXNYXBRRRUUEE-QWRGUYRKSA-N 1 1 186.343 2.282 20 0 AEADMO CC[C@H](N)C[NH2+]C[C@@H]1CCCC[C@H]1C 666910406 487348002 /nfs/dbraw/zinc/34/80/02/487348002.db2.gz BJUCVYBBQXHYCE-WOPDTQHZSA-N 1 1 198.354 2.140 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C 666911150 487348042 /nfs/dbraw/zinc/34/80/42/487348042.db2.gz BGTJXFYFCLLSTQ-NOOOWODRSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H](N)C[NH2+]C[C@@H]1CCCC[C@@H]1C 666910403 487348071 /nfs/dbraw/zinc/34/80/71/487348071.db2.gz BJUCVYBBQXHYCE-SRVKXCTJSA-N 1 1 198.354 2.140 20 0 AEADMO CC[C@H](N)C[NH2+]C1CCC(C)(C)CC1 666911163 487348124 /nfs/dbraw/zinc/34/81/24/487348124.db2.gz BSMXDLUXENVYEE-JTQLQIEISA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@@H](N)C[NH2+]CC1CCCCCC1 666910478 487348131 /nfs/dbraw/zinc/34/81/31/487348131.db2.gz ZTFNORJXUNYIGZ-GFCCVEGCSA-N 1 1 198.354 2.284 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C 666911149 487348137 /nfs/dbraw/zinc/34/81/37/487348137.db2.gz BGTJXFYFCLLSTQ-FIQHERPVSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CCCCC1(C)C 666911216 487348017 /nfs/dbraw/zinc/34/80/17/487348017.db2.gz KLWNYONXUOBBLK-WDEREUQCSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@@H](N)C[NH2+][C@@H](C)CCC(C)C 666911247 487348145 /nfs/dbraw/zinc/34/81/45/487348145.db2.gz PYNVHWOTWFRHJE-WDEREUQCSA-N 1 1 186.343 2.138 20 0 AEADMO CC[C@H](N)C[NH2+]C[C@H]1CCCC[C@H]1C 666910405 487348225 /nfs/dbraw/zinc/34/82/25/487348225.db2.gz BJUCVYBBQXHYCE-UTUOFQBUSA-N 1 1 198.354 2.140 20 0 AEADMO CC[C@@H](N)C[NH2+]C1CCC(C)(C)CC1 666911165 487348236 /nfs/dbraw/zinc/34/82/36/487348236.db2.gz BSMXDLUXENVYEE-SNVBAGLBSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@H](N)C[NH2+]CC1CCCCCC1 666910479 487348255 /nfs/dbraw/zinc/34/82/55/487348255.db2.gz ZTFNORJXUNYIGZ-LBPRGKRZSA-N 1 1 198.354 2.284 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 666911203 487348278 /nfs/dbraw/zinc/34/82/78/487348278.db2.gz HWORDCVPDYZJNM-WISYIIOYSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@@H](N)C[NH2+][C@H]1CCCCC1(C)C 666911213 487348332 /nfs/dbraw/zinc/34/83/32/487348332.db2.gz KLWNYONXUOBBLK-MNOVXSKESA-N 1 1 198.354 2.282 20 0 AEADMO CCCC[C@H](CC)[NH2+]C[C@H](N)CC 666911255 487348345 /nfs/dbraw/zinc/34/83/45/487348345.db2.gz RXXNYXBRRRUUEE-MNOVXSKESA-N 1 1 186.343 2.282 20 0 AEADMO CCC1CCC([NH2+]C[C@@H](N)CC)CC1 666911167 487348352 /nfs/dbraw/zinc/34/83/52/487348352.db2.gz CLTAZHUHRQXGTJ-CXQJBGSLSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@@H](N)C[NH2+][C@@H]1CCCCC1(C)C 666911212 487348393 /nfs/dbraw/zinc/34/83/93/487348393.db2.gz KLWNYONXUOBBLK-GHMZBOCLSA-N 1 1 198.354 2.282 20 0 AEADMO CCC1CCC([NH2+]C[C@H](N)CC)CC1 666911168 487348423 /nfs/dbraw/zinc/34/84/23/487348423.db2.gz CLTAZHUHRQXGTJ-MOENNCHZSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H](C)CCC(C)C 666911246 487348431 /nfs/dbraw/zinc/34/84/31/487348431.db2.gz PYNVHWOTWFRHJE-QWRGUYRKSA-N 1 1 186.343 2.138 20 0 AEADMO CC[C@H](N)C[NH2+][C@H]1CCCCC1(C)C 666911214 487348488 /nfs/dbraw/zinc/34/84/88/487348488.db2.gz KLWNYONXUOBBLK-QWRGUYRKSA-N 1 1 198.354 2.282 20 0 AEADMO CCCC[C@@H](CC)[NH2+]C[C@@H](N)CC 666911257 487348496 /nfs/dbraw/zinc/34/84/96/487348496.db2.gz RXXNYXBRRRUUEE-WDEREUQCSA-N 1 1 186.343 2.282 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 666911195 487348533 /nfs/dbraw/zinc/34/85/33/487348533.db2.gz HWORDCVPDYZJNM-FIQHERPVSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C 666911152 487348583 /nfs/dbraw/zinc/34/85/83/487348583.db2.gz BGTJXFYFCLLSTQ-WISYIIOYSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 666911197 487348623 /nfs/dbraw/zinc/34/86/23/487348623.db2.gz HWORDCVPDYZJNM-NOOOWODRSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H](N)C[NH2+][C@H](C)CCC(C)C 666911245 487348669 /nfs/dbraw/zinc/34/86/69/487348669.db2.gz PYNVHWOTWFRHJE-MNOVXSKESA-N 1 1 186.343 2.138 20 0 AEADMO CC[C@@H](N)C[NH2+][C@H](C)CCC(C)C 666911244 487348678 /nfs/dbraw/zinc/34/86/78/487348678.db2.gz PYNVHWOTWFRHJE-GHMZBOCLSA-N 1 1 186.343 2.138 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 666911200 487348686 /nfs/dbraw/zinc/34/86/86/487348686.db2.gz HWORDCVPDYZJNM-WHOHXGKFSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 666911663 487348830 /nfs/dbraw/zinc/34/88/30/487348830.db2.gz BTHIIKZLFFCCOK-WHOHXGKFSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CCC[C@@H]1C(C)C 666911707 487348837 /nfs/dbraw/zinc/34/88/37/487348837.db2.gz ZGVMJVAEIIYRKC-QJPTWQEYSA-N 1 1 198.354 2.138 20 0 AEADMO CCCC(CCC)[NH2+]C[C@H](N)CC 666911283 487348867 /nfs/dbraw/zinc/34/88/67/487348867.db2.gz XUXLRWILYDGBOZ-SNVBAGLBSA-N 1 1 186.343 2.282 20 0 AEADMO CC[C@@H](N)C[NH2+][C@@H](C)CC1CCCC1 666911276 487348875 /nfs/dbraw/zinc/34/88/75/487348875.db2.gz WXDDUJOUIHNOLH-CMPLNLGQSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@H](N)C[NH2+]C[C@H]1CCC[C@H](C)C1 666911653 487348920 /nfs/dbraw/zinc/34/89/20/487348920.db2.gz AERJZYPWJUNEMQ-SRVKXCTJSA-N 1 1 198.354 2.140 20 0 AEADMO CC[C@H](N)C[NH2+][C@H]1CCC[C@H](CC)C1 666911286 487348943 /nfs/dbraw/zinc/34/89/43/487348943.db2.gz YUFTVQBUWXLSAU-SRVKXCTJSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@H](N)C[NH2+][C@H]1CCC[C@@H]1C(C)C 666911710 487348996 /nfs/dbraw/zinc/34/89/96/487348996.db2.gz ZGVMJVAEIIYRKC-TUAOUCFPSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CCC[C@H](CC)C1 666911285 487349029 /nfs/dbraw/zinc/34/90/29/487349029.db2.gz YUFTVQBUWXLSAU-SDDRHHMPSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@@H](N)C[NH2+][C@H](C)CC1CCCC1 666911279 487349037 /nfs/dbraw/zinc/34/90/37/487349037.db2.gz WXDDUJOUIHNOLH-ZYHUDNBSSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 666911661 487349086 /nfs/dbraw/zinc/34/90/86/487349086.db2.gz BTHIIKZLFFCCOK-FIQHERPVSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H](N)C[NH2+]C[C@@H]1CCC[C@@H](C)C1 666911655 487349096 /nfs/dbraw/zinc/34/90/96/487349096.db2.gz AERJZYPWJUNEMQ-UTUOFQBUSA-N 1 1 198.354 2.140 20 0 AEADMO CC[C@H](N)C[NH2+]C1C[C@H](C)C[C@@H](C)C1 666911291 487349151 /nfs/dbraw/zinc/34/91/51/487349151.db2.gz YWRDTNLRWBSORI-MXWKQRLJSA-N 1 1 198.354 2.138 20 0 AEADMO CCCC(CCC)[NH2+]C[C@@H](N)CC 666911282 487349158 /nfs/dbraw/zinc/34/91/58/487349158.db2.gz XUXLRWILYDGBOZ-JTQLQIEISA-N 1 1 186.343 2.282 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H](C)CC1CCCC1 666911277 487349165 /nfs/dbraw/zinc/34/91/65/487349165.db2.gz WXDDUJOUIHNOLH-JQWIXIFHSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@@H](N)C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 666911289 487349189 /nfs/dbraw/zinc/34/91/89/487349189.db2.gz YWRDTNLRWBSORI-KXNHARMFSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CCC[C@H]1C(C)C 666911708 487349204 /nfs/dbraw/zinc/34/92/04/487349204.db2.gz ZGVMJVAEIIYRKC-SDDRHHMPSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@@H](N)C[NH2+][C@@H](C)C1CCCCC1 666911691 487349209 /nfs/dbraw/zinc/34/92/09/487349209.db2.gz VKVUWLKJQSPZEG-CMPLNLGQSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@H](N)C[NH2+]C1C[C@@H](C)C[C@H](C)C1 666911288 487349214 /nfs/dbraw/zinc/34/92/14/487349214.db2.gz YWRDTNLRWBSORI-DCAQKATOSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H](N)C[NH2+][C@H](C)C1CCCCC1 666911693 487349233 /nfs/dbraw/zinc/34/92/33/487349233.db2.gz VKVUWLKJQSPZEG-PWSUYJOCSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 666911662 487349239 /nfs/dbraw/zinc/34/92/39/487349239.db2.gz BTHIIKZLFFCCOK-NOOOWODRSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H](N)C[NH2+]C[C@H]1CCC[C@@H](C)C1 666911656 487349284 /nfs/dbraw/zinc/34/92/84/487349284.db2.gz AERJZYPWJUNEMQ-WOPDTQHZSA-N 1 1 198.354 2.140 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 666911664 487349293 /nfs/dbraw/zinc/34/92/93/487349293.db2.gz BTHIIKZLFFCCOK-WISYIIOYSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 666911292 487349313 /nfs/dbraw/zinc/34/93/13/487349313.db2.gz YWRDTNLRWBSORI-WHOHXGKFSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H](N)C[NH2+][C@H]1CCC[C@@H](CC)C1 666911287 487349329 /nfs/dbraw/zinc/34/93/29/487349329.db2.gz YUFTVQBUWXLSAU-WOPDTQHZSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@H](N)C[NH2+][C@H](C)CC1CCCC1 666911278 487349355 /nfs/dbraw/zinc/34/93/55/487349355.db2.gz WXDDUJOUIHNOLH-PWSUYJOCSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H](C)C1CCCCC1 666911692 487349396 /nfs/dbraw/zinc/34/93/96/487349396.db2.gz VKVUWLKJQSPZEG-JQWIXIFHSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@H](N)C[NH2+][C@H]1CCC[C@H]1C(C)C 666911709 487349429 /nfs/dbraw/zinc/34/94/29/487349429.db2.gz ZGVMJVAEIIYRKC-SRVKXCTJSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@@H](N)C[NH2+][C@H](C)C1CCCCC1 666911694 487349448 /nfs/dbraw/zinc/34/94/48/487349448.db2.gz VKVUWLKJQSPZEG-ZYHUDNBSSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@H](N)C[NH2+]C[C@@H]1CCC[C@H](C)C1 666911654 487349460 /nfs/dbraw/zinc/34/94/60/487349460.db2.gz AERJZYPWJUNEMQ-TUAOUCFPSA-N 1 1 198.354 2.140 20 0 AEADMO CC[C@H](N)C[NH2+][C@@H]1CCC[C@@H](CC)C1 666911284 487349472 /nfs/dbraw/zinc/34/94/72/487349472.db2.gz YUFTVQBUWXLSAU-GRYCIOLGSA-N 1 1 198.354 2.282 20 0 AEADMO CCC(CC)CN[C@@H]1CC[NH2+]C1(C)C 666966109 487352074 /nfs/dbraw/zinc/35/20/74/487352074.db2.gz QQWMNRWPDPURPK-LLVKDONJSA-N 1 1 198.354 2.153 20 0 AEADMO CC(C)(C)CCN[C@@H]1CC[NH2+]C1(C)C 666966119 487352103 /nfs/dbraw/zinc/35/21/03/487352103.db2.gz UBIKKZPQMPJFIW-SNVBAGLBSA-N 1 1 198.354 2.153 20 0 AEADMO CC(C)CCCN[C@@H]1CC[NH2+]C1(C)C 666966058 487352226 /nfs/dbraw/zinc/35/22/26/487352226.db2.gz DVBYYUPJGYGVAL-LLVKDONJSA-N 1 1 198.354 2.153 20 0 AEADMO CC(C)CCCN[C@H]1CC[NH2+]C1(C)C 666966059 487352458 /nfs/dbraw/zinc/35/24/58/487352458.db2.gz DVBYYUPJGYGVAL-NSHDSACASA-N 1 1 198.354 2.153 20 0 AEADMO CC(C)(C)CCN[C@H]1CC[NH2+]C1(C)C 666966118 487352673 /nfs/dbraw/zinc/35/26/73/487352673.db2.gz UBIKKZPQMPJFIW-JTQLQIEISA-N 1 1 198.354 2.153 20 0 AEADMO CCC(CC)CN[C@H]1CC[NH2+]C1(C)C 666966110 487352742 /nfs/dbraw/zinc/35/27/42/487352742.db2.gz QQWMNRWPDPURPK-NSHDSACASA-N 1 1 198.354 2.153 20 0 AEADMO C[N@@H+](CCN)C[C@H]1CCCC(C)(C)C1 667043289 487353083 /nfs/dbraw/zinc/35/30/83/487353083.db2.gz TUXWIOFIEGQPFT-NSHDSACASA-N 1 1 198.354 2.093 20 0 AEADMO CN(CC[NH3+])C[C@H]1CCCC(C)(C)C1 667043289 487353086 /nfs/dbraw/zinc/35/30/86/487353086.db2.gz TUXWIOFIEGQPFT-NSHDSACASA-N 1 1 198.354 2.093 20 0 AEADMO C[N@@H+](CCN)C[C@@H]1CCCC(C)(C)C1 667043288 487353499 /nfs/dbraw/zinc/35/34/99/487353499.db2.gz TUXWIOFIEGQPFT-LLVKDONJSA-N 1 1 198.354 2.093 20 0 AEADMO CN(CC[NH3+])C[C@@H]1CCCC(C)(C)C1 667043288 487353500 /nfs/dbraw/zinc/35/35/00/487353500.db2.gz TUXWIOFIEGQPFT-LLVKDONJSA-N 1 1 198.354 2.093 20 0 AEADMO CCCn1nccc1C[N@@H+](C)C(C)C 667472880 487355805 /nfs/dbraw/zinc/35/58/05/487355805.db2.gz UGHNTIWHUQPTFB-UHFFFAOYSA-N 1 1 195.310 2.133 20 0 AEADMO C[N@@H+](CC1=CCCOC1)CC1(C)CC1 668569100 487364527 /nfs/dbraw/zinc/36/45/27/487364527.db2.gz 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902481335 582608204 /nfs/dbraw/zinc/60/82/04/582608204.db2.gz BWDRNMDLODYTOK-NEPJUHHUSA-N 1 1 198.354 2.297 20 0 AEADMO CCC[C@@H](C)[NH2+]C[C@H]1CCCCCN1 902481338 582608211 /nfs/dbraw/zinc/60/82/11/582608211.db2.gz BWDRNMDLODYTOK-VXGBXAGGSA-N 1 1 198.354 2.297 20 0 AEADMO CCC[C@@H](C)NC[C@H]1CCCCC[NH2+]1 902481338 582608213 /nfs/dbraw/zinc/60/82/13/582608213.db2.gz BWDRNMDLODYTOK-VXGBXAGGSA-N 1 1 198.354 2.297 20 0 AEADMO CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCCCN1 902488942 582608627 /nfs/dbraw/zinc/60/86/27/582608627.db2.gz OTMGIMQIZVNAPS-NEPJUHHUSA-N 1 1 198.354 2.153 20 0 AEADMO CCC[C@H](C)[NH2+]C[C@H]1CCCCCN1 902481336 582608665 /nfs/dbraw/zinc/60/86/65/582608665.db2.gz BWDRNMDLODYTOK-NWDGAFQWSA-N 1 1 198.354 2.297 20 0 AEADMO CCC[C@H](C)NC[C@H]1CCCCC[NH2+]1 902481336 582608667 /nfs/dbraw/zinc/60/86/67/582608667.db2.gz BWDRNMDLODYTOK-NWDGAFQWSA-N 1 1 198.354 2.297 20 0 AEADMO CC(C)[C@H](C)[NH2+]C[C@@H]1CCCCCN1 902488944 582608809 /nfs/dbraw/zinc/60/88/09/582608809.db2.gz OTMGIMQIZVNAPS-RYUDHWBXSA-N 1 1 198.354 2.153 20 0 AEADMO CC(C)[C@@H](C)[NH2+]C[C@H]1CCCCCN1 902488945 582609462 /nfs/dbraw/zinc/60/94/62/582609462.db2.gz OTMGIMQIZVNAPS-VXGBXAGGSA-N 1 1 198.354 2.153 20 0 AEADMO CC[C@@H]1C[C@H]1CO[NH+]=C(N)C1CCC1 902614582 582610663 /nfs/dbraw/zinc/61/06/63/582610663.db2.gz XHBWEYTWODJVOX-SCZZXKLOSA-N 1 1 196.294 2.331 20 0 AEADMO CC1CC(CO[NH+]=C(N)CC2CC2)C1 902719134 582612494 /nfs/dbraw/zinc/61/24/94/582612494.db2.gz WMQRGWQMDBTNEJ-UHFFFAOYSA-N 1 1 196.294 2.331 20 0 AEADMO CC1CC(CO[NH+]=C(N)C2CCC2)C1 902773475 582613698 /nfs/dbraw/zinc/61/36/98/582613698.db2.gz DTIPRDQKJMKSRN-UHFFFAOYSA-N 1 1 196.294 2.331 20 0 AEADMO CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](F)C1 902990996 582619748 /nfs/dbraw/zinc/61/97/48/582619748.db2.gz JAGNUHWWLRZEGF-OUAUKWLOSA-N 1 1 185.286 2.466 20 0 AEADMO F[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 902994629 582619763 /nfs/dbraw/zinc/61/97/63/582619763.db2.gz GHZIADTXDJYMPQ-SSDOTTSWSA-N 1 1 199.191 2.373 20 0 AEADMO 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902990997 582620733 /nfs/dbraw/zinc/62/07/33/582620733.db2.gz JAGNUHWWLRZEGF-VWYCJHECSA-N 1 1 185.286 2.466 20 0 AEADMO CSCCC[N@H+]1CCC[C@@H](F)C1 902998621 582621577 /nfs/dbraw/zinc/62/15/77/582621577.db2.gz NYIJFNOYQGLWGZ-SECBINFHSA-N 1 1 191.315 2.173 20 0 AEADMO CSCCC[N@H+]1CCC[C@H](F)C1 902998622 582621585 /nfs/dbraw/zinc/62/15/85/582621585.db2.gz NYIJFNOYQGLWGZ-VIFPVBQESA-N 1 1 191.315 2.173 20 0 AEADMO NC1(C[NH2+]CC2CCCCCC2)CC1 904451655 582639188 /nfs/dbraw/zinc/63/91/88/582639188.db2.gz YRDIJCOQLBAXCQ-UHFFFAOYSA-N 1 1 196.338 2.038 20 0 AEADMO CCCC[N@@H+](CCC)[C@@H]1CCN(C)C1 906533755 582656857 /nfs/dbraw/zinc/65/68/57/582656857.db2.gz GBYPMCHUFRXDDS-GFCCVEGCSA-N 1 1 198.354 2.203 20 0 AEADMO CCCC[N@@H+](CCC)[C@H]1CCN(C)C1 906533756 582657129 /nfs/dbraw/zinc/65/71/29/582657129.db2.gz GBYPMCHUFRXDDS-LBPRGKRZSA-N 1 1 198.354 2.203 20 0 AEADMO CCC(=O)CC[N@H+](C)Cc1ccoc1 753705869 582666007 /nfs/dbraw/zinc/66/60/07/582666007.db2.gz PMZQGYLTQFQYLU-UHFFFAOYSA-N 1 1 195.262 2.081 20 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C[C@H]1CCC[N@H+]1CCCCCCO 201473195 583284541 /nfs/dbraw/zinc/28/45/41/583284541.db2.gz UJMOCSDJWJRSBE-NSHDSACASA-N 1 1 185.311 2.023 20 0 AEADMO C[C@@H]1CCC[N@H+]1CCCCCCO 201473167 583284595 /nfs/dbraw/zinc/28/45/95/583284595.db2.gz UJMOCSDJWJRSBE-LLVKDONJSA-N 1 1 185.311 2.023 20 0 AEADMO CC(C)[N@H+]1CC[C@H](C(F)(F)F)C1 202952271 583296774 /nfs/dbraw/zinc/29/67/74/583296774.db2.gz AJNUIIVPIGDJDY-ZETCQYMHSA-N 1 1 181.201 2.279 20 0 AEADMO CC(C)[N@H+]1CC[C@@H](C(F)(F)F)C1 202952286 583297200 /nfs/dbraw/zinc/29/72/00/583297200.db2.gz AJNUIIVPIGDJDY-SSDOTTSWSA-N 1 1 181.201 2.279 20 0 AEADMO C1CCC(C[N@@H+]2C[C@H]3C[C@H]3C2)C1 862443312 583299282 /nfs/dbraw/zinc/29/92/82/583299282.db2.gz OCGPFQLCRQOBRW-PHIMTYICSA-N 1 1 165.280 2.128 20 0 AEADMO CCSCn1cc[nH+]c1C1CC1 863385261 583309139 /nfs/dbraw/zinc/30/91/39/583309139.db2.gz BAHXWBXEKMBKBD-UHFFFAOYSA-N 1 1 182.292 2.471 20 0 AEADMO CSCn1cc[nH+]c1C1CC1 863386782 583309219 /nfs/dbraw/zinc/30/92/19/583309219.db2.gz UOTNFALAMRFCHM-UHFFFAOYSA-N 1 1 168.265 2.081 20 0 AEADMO CCCCCC[N@H+]1CCN[C@@H](C)[C@@H]1C 204010654 583310603 /nfs/dbraw/zinc/31/06/03/583310603.db2.gz VOKCUSLLCFIWTI-RYUDHWBXSA-N 1 1 198.354 2.249 20 0 AEADMO CCCCCCN1CC[NH2+][C@@H](C)[C@@H]1C 204010654 583310605 /nfs/dbraw/zinc/31/06/05/583310605.db2.gz VOKCUSLLCFIWTI-RYUDHWBXSA-N 1 1 198.354 2.249 20 0 AEADMO CCCO[NH+]=C(N)CCC(F)(F)F 863489981 583311095 /nfs/dbraw/zinc/31/10/95/583311095.db2.gz ZLNMSOJOTHYPQQ-UHFFFAOYSA-N 1 1 198.188 2.237 20 0 AEADMO CCCCCC[N@H+]1CCN[C@H](C)[C@@H]1C 204010637 583311238 /nfs/dbraw/zinc/31/12/38/583311238.db2.gz VOKCUSLLCFIWTI-NEPJUHHUSA-N 1 1 198.354 2.249 20 0 AEADMO CCCCCCN1CC[NH2+][C@H](C)[C@@H]1C 204010637 583311239 /nfs/dbraw/zinc/31/12/39/583311239.db2.gz VOKCUSLLCFIWTI-NEPJUHHUSA-N 1 1 198.354 2.249 20 0 AEADMO CC(C)O[NH+]=C(N)CCC(F)(F)F 863490056 583311296 /nfs/dbraw/zinc/31/12/96/583311296.db2.gz CJSITOXDJWLQSH-UHFFFAOYSA-N 1 1 198.188 2.236 20 0 AEADMO C[C@H]([NH3+])CN(C)CCCC1CCCC1 863568368 583311377 /nfs/dbraw/zinc/31/13/77/583311377.db2.gz KXPQLMBXGXUUDV-NSHDSACASA-N 1 1 198.354 2.236 20 0 AEADMO C[C@H](N)C[N@H+](C)CCCC1CCCC1 863568368 583311378 /nfs/dbraw/zinc/31/13/78/583311378.db2.gz KXPQLMBXGXUUDV-NSHDSACASA-N 1 1 198.354 2.236 20 0 AEADMO C[C@H](N)C[N@@H+](C)CCCC1CCCC1 863568368 583311381 /nfs/dbraw/zinc/31/13/81/583311381.db2.gz KXPQLMBXGXUUDV-NSHDSACASA-N 1 1 198.354 2.236 20 0 AEADMO C[C@@H]([NH3+])CN(C)CCCC1CCCC1 863568367 583311401 /nfs/dbraw/zinc/31/14/01/583311401.db2.gz KXPQLMBXGXUUDV-LLVKDONJSA-N 1 1 198.354 2.236 20 0 AEADMO C[C@@H](N)C[N@H+](C)CCCC1CCCC1 863568367 583311405 /nfs/dbraw/zinc/31/14/05/583311405.db2.gz KXPQLMBXGXUUDV-LLVKDONJSA-N 1 1 198.354 2.236 20 0 AEADMO C[C@@H](N)C[N@@H+](C)CCCC1CCCC1 863568367 583311406 /nfs/dbraw/zinc/31/14/06/583311406.db2.gz KXPQLMBXGXUUDV-LLVKDONJSA-N 1 1 198.354 2.236 20 0 AEADMO Cc1ccc(-c2c[nH+]c(C)n2C)cn1 863974441 583313861 /nfs/dbraw/zinc/31/38/61/583313861.db2.gz HWSRRLCXTGBRJV-UHFFFAOYSA-N 1 1 187.246 2.099 20 0 AEADMO Cc1cn(C[Si](C)(C)C)c(C)[nH+]1 865361074 583324642 /nfs/dbraw/zinc/32/46/42/583324642.db2.gz LUAJHILTRDXWLU-UHFFFAOYSA-N 1 1 182.343 2.377 20 0 AEADMO CCSCn1cc(C)[nH+]c1C 865361570 583324680 /nfs/dbraw/zinc/32/46/80/583324680.db2.gz UAXCTZRZKSUSJW-UHFFFAOYSA-N 1 1 170.281 2.211 20 0 AEADMO CCc1[nH+]c(C)cn1CSC 865394793 583325309 /nfs/dbraw/zinc/32/53/09/583325309.db2.gz ZRYAHAZKNONKFX-UHFFFAOYSA-N 1 1 170.281 2.074 20 0 AEADMO CCSCn1cc(C)[nH+]c1CC 865393518 583325410 /nfs/dbraw/zinc/32/54/10/583325410.db2.gz ZEXCKLRJSOKZLE-UHFFFAOYSA-N 1 1 184.308 2.465 20 0 AEADMO C=C=CCNc1cc(CC)[nH+]c(C)n1 865824864 583327951 /nfs/dbraw/zinc/32/79/51/583327951.db2.gz UEPIYNHUDFIVGM-UHFFFAOYSA-N 1 1 189.262 2.100 20 0 AEADMO C=C=CCNc1nc(C)[nH+]c(C)c1C 865825085 583328412 /nfs/dbraw/zinc/32/84/12/583328412.db2.gz WGPGSPIIRVPZRV-UHFFFAOYSA-N 1 1 189.262 2.155 20 0 AEADMO N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CC1 866667229 583332315 /nfs/dbraw/zinc/33/23/15/583332315.db2.gz FXBNJBUWJWPBKK-VXGBXAGGSA-N 1 1 196.338 2.036 20 0 AEADMO C[C@H]1CCC[N@@H+](C/C=C\Cl)C1 207165919 583336056 /nfs/dbraw/zinc/33/60/56/583336056.db2.gz NSCAUIFXDQGCGR-LVCFMKKZSA-N 1 1 173.687 2.471 20 0 AEADMO C[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 207165876 583336560 /nfs/dbraw/zinc/33/65/60/583336560.db2.gz NSCAUIFXDQGCGR-AZVKUDOFSA-N 1 1 173.687 2.471 20 0 AEADMO CCCC(C)(C)[NH2+]Cc1c[nH]cn1 123194251 583347361 /nfs/dbraw/zinc/34/73/61/583347361.db2.gz BCJBOUHCCVILCN-UHFFFAOYSA-N 1 1 181.283 2.078 20 0 AEADMO Cc1[nH+]cn(Cc2cscn2)c1C 123589113 583352296 /nfs/dbraw/zinc/35/22/96/583352296.db2.gz DERYHSWPSQYAGQ-UHFFFAOYSA-N 1 1 193.275 2.005 20 0 AEADMO CCCCCO[NH+]=C(N)C1CCC1 871766419 583353711 /nfs/dbraw/zinc/35/37/11/583353711.db2.gz QGWUOXRBWOSLLZ-UHFFFAOYSA-N 1 1 184.283 2.475 20 0 AEADMO NC(CC1CC1)=[NH+]OCCCC1CC1 871734916 583353969 /nfs/dbraw/zinc/35/39/69/583353969.db2.gz HGEMIALRQSEMDA-UHFFFAOYSA-N 1 1 196.294 2.475 20 0 AEADMO NC(=[NH+]OCCC1CCC1)C1CCC1 871766710 583354664 /nfs/dbraw/zinc/35/46/64/583354664.db2.gz AEDWYOKICYNMRO-UHFFFAOYSA-N 1 1 196.294 2.475 20 0 AEADMO CC(C)=CCO[NH+]=C(N)C1CCC1 871765596 583354903 /nfs/dbraw/zinc/35/49/03/583354903.db2.gz CKNFJKAUVUALRV-UHFFFAOYSA-N 1 1 182.267 2.251 20 0 AEADMO NC(=[NH+]OCCCC1CC1)C1CCC1 871767880 583354943 /nfs/dbraw/zinc/35/49/43/583354943.db2.gz QVQXNTUWZBJCBJ-UHFFFAOYSA-N 1 1 196.294 2.475 20 0 AEADMO CC[C@@H](C)CO[NH+]=C(N)C1CCC1 871765964 583354947 /nfs/dbraw/zinc/35/49/47/583354947.db2.gz FEWUSYYGLBQZQA-MRVPVSSYSA-N 1 1 184.283 2.331 20 0 AEADMO CCCCO[NH+]=C(N)C1CCC1 871766237 583354949 /nfs/dbraw/zinc/35/49/49/583354949.db2.gz ITCHHLVYVHBBMQ-UHFFFAOYSA-N 1 1 170.256 2.085 20 0 AEADMO CC[C@H](C)CO[NH+]=C(N)C1CCC1 871765965 583354962 /nfs/dbraw/zinc/35/49/62/583354962.db2.gz FEWUSYYGLBQZQA-QMMMGPOBSA-N 1 1 184.283 2.331 20 0 AEADMO NC(=[NH+]OCC1=CCCC1)C1CCC1 871766085 583355015 /nfs/dbraw/zinc/35/50/15/583355015.db2.gz SRYDVBKTBIELHL-UHFFFAOYSA-N 1 1 194.278 2.395 20 0 AEADMO NC(=[NH+]OCC1CCCC1)C1CCC1 871765792 583355022 /nfs/dbraw/zinc/35/50/22/583355022.db2.gz BJHLRHRQNRTAMN-UHFFFAOYSA-N 1 1 196.294 2.475 20 0 AEADMO NC(=[NH+]OCCCCF)C1CCC1 871765682 583355069 /nfs/dbraw/zinc/35/50/69/583355069.db2.gz HSPQSPAETNWJHN-UHFFFAOYSA-N 1 1 188.246 2.035 20 0 AEADMO NC(=[NH+]OCC1CC=CC1)C1CCC1 871766040 583355157 /nfs/dbraw/zinc/35/51/57/583355157.db2.gz RQWWLGLKUVUELV-UHFFFAOYSA-N 1 1 194.278 2.251 20 0 AEADMO CC1(CO[NH+]=C(N)C2CCC2)CCC1 871766115 583355420 /nfs/dbraw/zinc/35/54/20/583355420.db2.gz VORBKSHOGDICHR-UHFFFAOYSA-N 1 1 196.294 2.475 20 0 AEADMO CC(C)CCO[NH+]=C(N)C1CCC1 871766668 583355431 /nfs/dbraw/zinc/35/54/31/583355431.db2.gz YXHKAWNWAQUSMA-UHFFFAOYSA-N 1 1 184.283 2.331 20 0 AEADMO NC(=[NH+]OC1CCCC1)C1CCC1 871766618 583355433 /nfs/dbraw/zinc/35/54/33/583355433.db2.gz XBPHGOSGAPDPSR-UHFFFAOYSA-N 1 1 182.267 2.228 20 0 AEADMO NC(=[NH+]OCC1CCC1)C1CCC1 871766276 583355444 /nfs/dbraw/zinc/35/54/44/583355444.db2.gz KLQFENFHZZEUQI-UHFFFAOYSA-N 1 1 182.267 2.085 20 0 AEADMO NC(=[NH+]OCCC1CC1)C1CCC1 871765882 583355469 /nfs/dbraw/zinc/35/54/69/583355469.db2.gz NIAIAGSOQQCXRR-UHFFFAOYSA-N 1 1 182.267 2.085 20 0 AEADMO CC1(C)CC(O[NH+]=C(N)C2CCC2)C1 871767893 583355477 /nfs/dbraw/zinc/35/54/77/583355477.db2.gz QXWNCAYXNRRCID-UHFFFAOYSA-N 1 1 196.294 2.474 20 0 AEADMO CCCCCC[N@@H+]1C[C@H]2COC[C@H]2C1 872320734 583362503 /nfs/dbraw/zinc/36/25/03/583362503.db2.gz KHBCCQZOFGJFCN-TXEJJXNPSA-N 1 1 197.322 2.145 20 0 AEADMO CCCCCC[N@@H+](C)C(C)(C)CO 125687814 583386220 /nfs/dbraw/zinc/38/62/20/583386220.db2.gz JWBOEQKYEBHLDU-UHFFFAOYSA-N 1 1 187.327 2.269 20 0 AEADMO CC[N@@H+](Cc1ccns1)C(C)C 876561252 583387007 /nfs/dbraw/zinc/38/70/07/583387007.db2.gz PBCRLQJBHSMMII-UHFFFAOYSA-N 1 1 184.308 2.373 20 0 AEADMO CC[N@@H+](Cc1ccc(=O)[nH]c1)C(C)C 876561762 583387577 /nfs/dbraw/zinc/38/75/77/583387577.db2.gz TZOWYZIDCBGPNQ-UHFFFAOYSA-N 1 1 194.278 2.018 20 0 AEADMO CCCCCC[N@@H+](C)[C@@H](CN)C1CC1 126599347 583394957 /nfs/dbraw/zinc/39/49/57/583394957.db2.gz ZFZRQUNBCASGIR-LBPRGKRZSA-N 1 1 198.354 2.236 20 0 AEADMO CCCCCCN(C)[C@@H](C[NH3+])C1CC1 126599347 583394962 /nfs/dbraw/zinc/39/49/62/583394962.db2.gz ZFZRQUNBCASGIR-LBPRGKRZSA-N 1 1 198.354 2.236 20 0 AEADMO CCCCCC[N@@H+](C)[C@H](CN)C1CC1 126599571 583395012 /nfs/dbraw/zinc/39/50/12/583395012.db2.gz ZFZRQUNBCASGIR-GFCCVEGCSA-N 1 1 198.354 2.236 20 0 AEADMO CCCCCCN(C)[C@H](C[NH3+])C1CC1 126599571 583395015 /nfs/dbraw/zinc/39/50/15/583395015.db2.gz ZFZRQUNBCASGIR-GFCCVEGCSA-N 1 1 198.354 2.236 20 0 AEADMO Cc1cc(C[NH+]2CC3(CC3)C2)sn1 877556364 583395577 /nfs/dbraw/zinc/39/55/77/583395577.db2.gz DYNGBQPAUJCXOZ-UHFFFAOYSA-N 1 1 194.303 2.047 20 0 AEADMO CSC(C)(C)CC[N@@H+]1C[C@H]2C[C@H]2C1 877651166 583396280 /nfs/dbraw/zinc/39/62/80/583396280.db2.gz WIQLRXWBDPUFAY-AOOOYVTPSA-N 1 1 199.363 2.470 20 0 AEADMO Cc1ncc(C[NH+]2CC(C)(C)C2)s1 877718000 583397029 /nfs/dbraw/zinc/39/70/29/583397029.db2.gz VFILIDOCJBTEKO-UHFFFAOYSA-N 1 1 196.319 2.293 20 0 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CCC[N@@H+](CC)Cc1nccs1 307963114 491073252 /nfs/dbraw/zinc/07/32/52/491073252.db2.gz YWHIBBFTFBEOCJ-UHFFFAOYSA-N 1 1 184.308 2.375 20 0 AEADMO CC[N@@H+](C)C[C@@H](C)c1nccs1 307964154 491073257 /nfs/dbraw/zinc/07/32/57/491073257.db2.gz ZSPURVNQVYCFJD-MRVPVSSYSA-N 1 1 184.308 2.198 20 0 AEADMO CC(C)C[N@@H+](CCCF)C1CC1 307962245 491073305 /nfs/dbraw/zinc/07/33/05/491073305.db2.gz MZQXDVUVPLGKSL-UHFFFAOYSA-N 1 1 173.275 2.466 20 0 AEADMO CC[N@@H+](C)C[C@H](C)c1nccs1 307964155 491073315 /nfs/dbraw/zinc/07/33/15/491073315.db2.gz ZSPURVNQVYCFJD-QMMMGPOBSA-N 1 1 184.308 2.198 20 0 AEADMO CC[C@@H](C)[N@@H+](C)Cc1nccs1 308015830 491076006 /nfs/dbraw/zinc/07/60/06/491076006.db2.gz HIXIHBKJZPIPLT-MRVPVSSYSA-N 1 1 184.308 2.373 20 0 AEADMO CC[NH+](CC)Cc1ncc(C)s1 307976014 491074152 /nfs/dbraw/zinc/07/41/52/491074152.db2.gz LCBKUWBAOJLRKE-UHFFFAOYSA-N 1 1 184.308 2.293 20 0 AEADMO CC[N@@H+](CCCF)CCC1CC1 307974999 491074154 /nfs/dbraw/zinc/07/41/54/491074154.db2.gz KBVXFHWNDFKPAJ-UHFFFAOYSA-N 1 1 173.275 2.468 20 0 AEADMO CCCC[N@H+](C)Cc1nccs1 307978974 491074409 /nfs/dbraw/zinc/07/44/09/491074409.db2.gz NLKZJEWDFBYJFO-UHFFFAOYSA-N 1 1 184.308 2.375 20 0 AEADMO CCCC[N@@H+](C)Cc1nccs1 307978974 491074410 /nfs/dbraw/zinc/07/44/10/491074410.db2.gz NLKZJEWDFBYJFO-UHFFFAOYSA-N 1 1 184.308 2.375 20 0 AEADMO CC[C@@H]1CC[N@@H+](CCCCF)C1 308017061 491076175 /nfs/dbraw/zinc/07/61/75/491076175.db2.gz QZHUMPTWTFEXES-SNVBAGLBSA-N 1 1 173.275 2.468 20 0 AEADMO CCCC[N@@H+](C)Cc1cncs1 307995279 491075136 /nfs/dbraw/zinc/07/51/36/491075136.db2.gz VXAAAQQNFSOSCR-UHFFFAOYSA-N 1 1 184.308 2.375 20 0 AEADMO CCC[N@@H+](C)CC(C)(C)COC 307998332 491075398 /nfs/dbraw/zinc/07/53/98/491075398.db2.gz XPTMLOPXALHAFQ-UHFFFAOYSA-N 1 1 173.300 2.001 20 0 AEADMO C[N@@H+](CCCF)Cc1ccco1 308000476 491075409 /nfs/dbraw/zinc/07/54/09/491075409.db2.gz ZFOIRWYXNORGMT-UHFFFAOYSA-N 1 1 171.215 2.071 20 0 AEADMO CC[N@@H+](CC1CC1)C[C@@H]1C[C@@H]1C 308002739 491075589 /nfs/dbraw/zinc/07/55/89/491075589.db2.gz 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308029125 491076488 /nfs/dbraw/zinc/07/64/88/491076488.db2.gz IIXWJLWTGJYGHL-VIFPVBQESA-N 1 1 173.300 2.142 20 0 AEADMO CC[C@@H](C)[N@@H+](C)CC(C)(C)OC 308029123 491076490 /nfs/dbraw/zinc/07/64/90/491076490.db2.gz IIXWJLWTGJYGHL-SECBINFHSA-N 1 1 173.300 2.142 20 0 AEADMO C[C@H](CF)[NH2+]Cc1ccc(Cl)o1 308031539 491076544 /nfs/dbraw/zinc/07/65/44/491076544.db2.gz JAWXLJGANKHHNU-ZCFIWIBFSA-N 1 1 191.633 2.381 20 0 AEADMO CC1(C)CC[N@@H+](CCCCF)C1 308040727 491076627 /nfs/dbraw/zinc/07/66/27/491076627.db2.gz NGKIUOASUMXIAQ-UHFFFAOYSA-N 1 1 173.275 2.468 20 0 AEADMO C[C@H]1CC[N@@H+](CCCCF)[C@H]1C 308045230 491076644 /nfs/dbraw/zinc/07/66/44/491076644.db2.gz PEDKWBOPBZFDDA-UWVGGRQHSA-N 1 1 173.275 2.466 20 0 AEADMO C[C@H]1[C@H](C)CC[N@H+]1CCCCF 308045232 491076662 /nfs/dbraw/zinc/07/66/62/491076662.db2.gz PEDKWBOPBZFDDA-ZJUUUORDSA-N 1 1 173.275 2.466 20 0 AEADMO C[C@@H]1CC[N@@H+](CCCCF)[C@@H]1C 308045229 491076779 /nfs/dbraw/zinc/07/67/79/491076779.db2.gz PEDKWBOPBZFDDA-NXEZZACHSA-N 1 1 173.275 2.466 20 0 AEADMO C[C@H]1CC[N@@H+](CCCCF)[C@@H]1C 308045231 491076809 /nfs/dbraw/zinc/07/68/09/491076809.db2.gz PEDKWBOPBZFDDA-VHSXEESVSA-N 1 1 173.275 2.466 20 0 AEADMO CC[C@H](C)[N@@H+](CCO)CCC(C)C 308162122 491082043 /nfs/dbraw/zinc/08/20/43/491082043.db2.gz XFJYCWCLTNNVRJ-NSHDSACASA-N 1 1 187.327 2.125 20 0 AEADMO C[C@@H]1C[N@@H+](CCCCF)CCS1 308053824 491077010 /nfs/dbraw/zinc/07/70/10/491077010.db2.gz TVIAFKNUMILCMZ-SECBINFHSA-N 1 1 191.315 2.173 20 0 AEADMO CC1=CCC[N@@H+](CCCCF)C1 308055861 491077033 /nfs/dbraw/zinc/07/70/33/491077033.db2.gz UMRMBLADHQBWEZ-UHFFFAOYSA-N 1 1 171.259 2.388 20 0 AEADMO CC[C@@H](C)[N@@H+](CCO)CCC(C)C 308162121 491082059 /nfs/dbraw/zinc/08/20/59/491082059.db2.gz XFJYCWCLTNNVRJ-LLVKDONJSA-N 1 1 187.327 2.125 20 0 AEADMO FCCC[N@H+]1CC[C@@H](C2CC2)C1 308085078 491077767 /nfs/dbraw/zinc/07/77/67/491077767.db2.gz NCNHCUGUOQNDOJ-SNVBAGLBSA-N 1 1 171.259 2.078 20 0 AEADMO FCCC[N@H+]1CC[C@H](C2CC2)C1 308085077 491077872 /nfs/dbraw/zinc/07/78/72/491077872.db2.gz NCNHCUGUOQNDOJ-JTQLQIEISA-N 1 1 171.259 2.078 20 0 AEADMO CC[C@@H](C)[N@H+](CC=C(C)C)CCO 308129872 491079015 /nfs/dbraw/zinc/07/90/15/491079015.db2.gz DBNQETMRSBUKID-LLVKDONJSA-N 1 1 185.311 2.045 20 0 AEADMO CC[C@H](C)[N@H+](CC=C(C)C)CCO 308129874 491079112 /nfs/dbraw/zinc/07/91/12/491079112.db2.gz DBNQETMRSBUKID-NSHDSACASA-N 1 1 185.311 2.045 20 0 AEADMO C[C@H](C1CC1)[N@@H+](C)C[C@H]1CCSC1 308132751 491079132 /nfs/dbraw/zinc/07/91/32/491079132.db2.gz CBHSWYCVFGKAJR-NXEZZACHSA-N 1 1 199.363 2.470 20 0 AEADMO C[C@H](C1CC1)[N@@H+](C)C[C@@H]1CCSC1 308132754 491079142 /nfs/dbraw/zinc/07/91/42/491079142.db2.gz CBHSWYCVFGKAJR-ZJUUUORDSA-N 1 1 199.363 2.470 20 0 AEADMO C[C@@H](C1CC1)[N@@H+](C)C[C@H]1CCSC1 308132753 491079154 /nfs/dbraw/zinc/07/91/54/491079154.db2.gz CBHSWYCVFGKAJR-VHSXEESVSA-N 1 1 199.363 2.470 20 0 AEADMO C[C@@H](C1CC1)[N@@H+](C)C[C@@H]1CCSC1 308132752 491079227 /nfs/dbraw/zinc/07/92/27/491079227.db2.gz CBHSWYCVFGKAJR-UWVGGRQHSA-N 1 1 199.363 2.470 20 0 AEADMO COCC1([N@@H+](C)CCC(C)C)CC1 308142337 491080178 /nfs/dbraw/zinc/08/01/78/491080178.db2.gz AEHQBWKRYWRYQU-UHFFFAOYSA-N 1 1 185.311 2.143 20 0 AEADMO COC1(C[N@@H+](C)C(C)C)CCCC1 308142255 491080252 /nfs/dbraw/zinc/08/02/52/491080252.db2.gz ABIHHAUUSMXQME-UHFFFAOYSA-N 1 1 185.311 2.286 20 0 AEADMO CC(C)C[N@@H+](C)CC[C@H]1CCCO1 308144127 491080517 /nfs/dbraw/zinc/08/05/17/491080517.db2.gz KKWTXLMOHPNOSO-LLVKDONJSA-N 1 1 185.311 2.143 20 0 AEADMO CC(C)C[N@@H+](C)CC[C@@H]1CCCO1 308144129 491080553 /nfs/dbraw/zinc/08/05/53/491080553.db2.gz KKWTXLMOHPNOSO-NSHDSACASA-N 1 1 185.311 2.143 20 0 AEADMO CCCCC[N@@H+](CCO)[C@H](C)CC 308152818 491081103 /nfs/dbraw/zinc/08/11/03/491081103.db2.gz RRLZRZVDHFXEFR-LLVKDONJSA-N 1 1 187.327 2.269 20 0 AEADMO CCCCC[N@@H+](CCO)[C@@H](C)CC 308152820 491081196 /nfs/dbraw/zinc/08/11/96/491081196.db2.gz RRLZRZVDHFXEFR-NSHDSACASA-N 1 1 187.327 2.269 20 0 AEADMO C[N@@H+](CCCCF)[C@H]1CCSC1 308166475 491082191 /nfs/dbraw/zinc/08/21/91/491082191.db2.gz VAMZXQDQXHMNOZ-VIFPVBQESA-N 1 1 191.315 2.173 20 0 AEADMO C[N@@H+](CCCCF)[C@@H]1CCSC1 308166473 491082251 /nfs/dbraw/zinc/08/22/51/491082251.db2.gz VAMZXQDQXHMNOZ-SECBINFHSA-N 1 1 191.315 2.173 20 0 AEADMO CCCCO[C@@H](C)Cc1[nH]cc[nH+]1 308168237 491082313 /nfs/dbraw/zinc/08/23/13/491082313.db2.gz AKUBTKIVDOUIQT-VIFPVBQESA-N 1 1 182.267 2.157 20 0 AEADMO CCCC[N@H+]1CCOC[C@]1(C)CC 308168717 491082331 /nfs/dbraw/zinc/08/23/31/491082331.db2.gz AOHWJGPQUGOXRW-NSHDSACASA-N 1 1 185.311 2.287 20 0 AEADMO CCCC[N@H+]1CCOC[C@@]1(C)CC 308168716 491082350 /nfs/dbraw/zinc/08/23/50/491082350.db2.gz AOHWJGPQUGOXRW-LLVKDONJSA-N 1 1 185.311 2.287 20 0 AEADMO CCCCO[C@H](C)Cc1[nH]cc[nH+]1 308168234 491082404 /nfs/dbraw/zinc/08/24/04/491082404.db2.gz AKUBTKIVDOUIQT-SECBINFHSA-N 1 1 182.267 2.157 20 0 AEADMO CC[N@@H+](Cc1scnc1C)C1CC1 308175167 491082628 /nfs/dbraw/zinc/08/26/28/491082628.db2.gz DAOCZEQZKXUGDY-UHFFFAOYSA-N 1 1 196.319 2.436 20 0 AEADMO CCCCC[N@H+]1CC[C@](O)(CC)C1 308247754 491087773 /nfs/dbraw/zinc/08/77/73/491087773.db2.gz YDKKYYULMDYJAA-LLVKDONJSA-N 1 1 185.311 2.023 20 0 AEADMO Cc1ccc(F)c(C[NH2+]CCF)c1 308180939 491082838 /nfs/dbraw/zinc/08/28/38/491082838.db2.gz HHCJZDJNWPZWMZ-UHFFFAOYSA-N 1 1 185.217 2.193 20 0 AEADMO CCCC[N@H+]1CCO[C@@](C)(CC)C1 308247833 491087800 /nfs/dbraw/zinc/08/78/00/491087800.db2.gz YGRBRSPZMDYXKL-NSHDSACASA-N 1 1 185.311 2.287 20 0 AEADMO CCC[N@H+]1CCCC[C@H](COC)C1 308247912 491087803 /nfs/dbraw/zinc/08/78/03/491087803.db2.gz YJZAZDRGGTZUGB-NSHDSACASA-N 1 1 185.311 2.145 20 0 AEADMO CCCC[N@H+]1CCO[C@](C)(CC)C1 308247832 491087807 /nfs/dbraw/zinc/08/78/07/491087807.db2.gz YGRBRSPZMDYXKL-LLVKDONJSA-N 1 1 185.311 2.287 20 0 AEADMO CCC[N@H+]1CCCC[C@@H](COC)C1 308247911 491087821 /nfs/dbraw/zinc/08/78/21/491087821.db2.gz YJZAZDRGGTZUGB-LLVKDONJSA-N 1 1 185.311 2.145 20 0 AEADMO CCCCC[N@H+]1CC[C@@](O)(CC)C1 308247755 491087828 /nfs/dbraw/zinc/08/78/28/491087828.db2.gz YDKKYYULMDYJAA-NSHDSACASA-N 1 1 185.311 2.023 20 0 AEADMO CC/C=C\CC[N@H+](C)CCOCC 308190256 491083416 /nfs/dbraw/zinc/08/34/16/491083416.db2.gz NIKORCJFZAZCAU-SREVYHEPSA-N 1 1 185.311 2.311 20 0 AEADMO CC/C=C/CC[N@H+](C)CCOCC 308190257 491083444 /nfs/dbraw/zinc/08/34/44/491083444.db2.gz NIKORCJFZAZCAU-VOTSOKGWSA-N 1 1 185.311 2.311 20 0 AEADMO FCCCC[N@H+]1CC[C@H](C2CC2)C1 308198228 491083839 /nfs/dbraw/zinc/08/38/39/491083839.db2.gz VHHGVDLLPSZCOS-NSHDSACASA-N 1 1 185.286 2.468 20 0 AEADMO CCCC[C@@H](C)[N@@H+](C)C[C@@H](O)CC 308200122 491083874 /nfs/dbraw/zinc/08/38/74/491083874.db2.gz PHQHKOGYDJVWEX-MNOVXSKESA-N 1 1 187.327 2.268 20 0 AEADMO FCCCC[N@H+]1CC[C@@H](C2CC2)C1 308198227 491083955 /nfs/dbraw/zinc/08/39/55/491083955.db2.gz VHHGVDLLPSZCOS-LLVKDONJSA-N 1 1 185.286 2.468 20 0 AEADMO CCCC[C@H](C)[N@@H+](C)C[C@@H](O)CC 308200123 491083963 /nfs/dbraw/zinc/08/39/63/491083963.db2.gz PHQHKOGYDJVWEX-QWRGUYRKSA-N 1 1 187.327 2.268 20 0 AEADMO CCCC[C@@H](C)[N@@H+](C)C[C@H](O)CC 308200121 491083996 /nfs/dbraw/zinc/08/39/96/491083996.db2.gz PHQHKOGYDJVWEX-GHMZBOCLSA-N 1 1 187.327 2.268 20 0 AEADMO CCCC[C@H](C)[N@@H+](C)C[C@H](O)CC 308200124 491084007 /nfs/dbraw/zinc/08/40/07/491084007.db2.gz PHQHKOGYDJVWEX-WDEREUQCSA-N 1 1 187.327 2.268 20 0 AEADMO CCCC[N@@H+](C)CC(C)(C)COC 308213538 491084971 /nfs/dbraw/zinc/08/49/71/491084971.db2.gz HULSEFKZOGARBS-UHFFFAOYSA-N 1 1 187.327 2.391 20 0 AEADMO CC[N@@H+](CCOC1CCC1)C1CC1 308215287 491084984 /nfs/dbraw/zinc/08/49/84/491084984.db2.gz IZRKHJIBYBYAPZ-UHFFFAOYSA-N 1 1 183.295 2.040 20 0 AEADMO CCC[N@@H+](CC)Cc1ccn(C)c1 308215029 491085001 /nfs/dbraw/zinc/08/50/01/491085001.db2.gz ITIFAAXIGAGRLW-UHFFFAOYSA-N 1 1 180.295 2.257 20 0 AEADMO CCC[C@H](C)[N@H+]1CC[C@@H](COC)C1 308221858 491085551 /nfs/dbraw/zinc/08/55/51/491085551.db2.gz LOEGXQGSOSVTME-WDEREUQCSA-N 1 1 185.311 2.143 20 0 AEADMO CCC[N@H+](CC)Cc1nnc(C)s1 308220912 491085557 /nfs/dbraw/zinc/08/55/57/491085557.db2.gz LCQYKLIXKKDHCP-UHFFFAOYSA-N 1 1 199.323 2.078 20 0 AEADMO CCC[N@@H+](CC)Cc1nnc(C)s1 308220912 491085558 /nfs/dbraw/zinc/08/55/58/491085558.db2.gz LCQYKLIXKKDHCP-UHFFFAOYSA-N 1 1 199.323 2.078 20 0 AEADMO CCC[C@@H](C)[N@H+]1CC[C@H](COC)C1 308221853 491085581 /nfs/dbraw/zinc/08/55/81/491085581.db2.gz LOEGXQGSOSVTME-MNOVXSKESA-N 1 1 185.311 2.143 20 0 AEADMO CCC[N@@H+](CC)Cc1cccn1C 308221758 491085587 /nfs/dbraw/zinc/08/55/87/491085587.db2.gz LLAMKMJLGIGMIK-UHFFFAOYSA-N 1 1 180.295 2.257 20 0 AEADMO CCCCC[N@H+](C)Cc1ncc[nH]1 308221280 491085597 /nfs/dbraw/zinc/08/55/97/491085597.db2.gz LEONCHLJJRFCBO-UHFFFAOYSA-N 1 1 181.283 2.032 20 0 AEADMO CCCCC[N@@H+](C)Cc1ncc[nH]1 308221280 491085598 /nfs/dbraw/zinc/08/55/98/491085598.db2.gz LEONCHLJJRFCBO-UHFFFAOYSA-N 1 1 181.283 2.032 20 0 AEADMO CCC[C@H](C)[N@H+]1CC[C@H](COC)C1 308221855 491085603 /nfs/dbraw/zinc/08/56/03/491085603.db2.gz LOEGXQGSOSVTME-QWRGUYRKSA-N 1 1 185.311 2.143 20 0 AEADMO CCCC[N@@H+](C)Cc1cccn1C 308221442 491085605 /nfs/dbraw/zinc/08/56/05/491085605.db2.gz LIOXEXFIQJSUAM-UHFFFAOYSA-N 1 1 180.295 2.257 20 0 AEADMO COC[C@H]1CCC[N@H+]1CCC(C)C 308222424 491085621 /nfs/dbraw/zinc/08/56/21/491085621.db2.gz DDTBAPWCPAWZNG-LLVKDONJSA-N 1 1 185.311 2.143 20 0 AEADMO CCC[C@@H](C)[N@H+]1CC[C@@H](COC)C1 308221851 491085683 /nfs/dbraw/zinc/08/56/83/491085683.db2.gz LOEGXQGSOSVTME-GHMZBOCLSA-N 1 1 185.311 2.143 20 0 AEADMO COC[C@@H]1CCC[N@H+]1CCC(C)C 308222425 491085706 /nfs/dbraw/zinc/08/57/06/491085706.db2.gz DDTBAPWCPAWZNG-NSHDSACASA-N 1 1 185.311 2.143 20 0 AEADMO CC[C@H](O)C[N@@H+](C(C)C)C1CCC1 308223418 491085815 /nfs/dbraw/zinc/08/58/15/491085815.db2.gz MEJBZVKLTOHWHR-NSHDSACASA-N 1 1 185.311 2.020 20 0 AEADMO CC[C@@H](O)C[N@@H+](C(C)C)C1CCC1 308223417 491085914 /nfs/dbraw/zinc/08/59/14/491085914.db2.gz MEJBZVKLTOHWHR-LLVKDONJSA-N 1 1 185.311 2.020 20 0 AEADMO CC(C)CCC[N@H+]1CCOC[C@H]1C 308225684 491086043 /nfs/dbraw/zinc/08/60/43/491086043.db2.gz DSFQFPHLDRFUFX-LLVKDONJSA-N 1 1 185.311 2.143 20 0 AEADMO CC[N@@H+](CCCCCF)CCOC 308232971 491086612 /nfs/dbraw/zinc/08/66/12/491086612.db2.gz POXXUHJNKQEIRB-UHFFFAOYSA-N 1 1 191.290 2.095 20 0 AEADMO CCCC[N@@H+]1CC=C(COC)CC1 308248065 491087704 /nfs/dbraw/zinc/08/77/04/491087704.db2.gz YTLKPKUITQUFST-UHFFFAOYSA-N 1 1 183.295 2.065 20 0 AEADMO CCCCC[N@@H+](C)[C@H]1CCCOC1 308241253 491086893 /nfs/dbraw/zinc/08/68/93/491086893.db2.gz SUQKRDRBBKARHN-NSHDSACASA-N 1 1 185.311 2.287 20 0 AEADMO CCCC[N@H+]1CC[C@@H](OC)C[C@H]1C 308240127 491086914 /nfs/dbraw/zinc/08/69/14/491086914.db2.gz SKELLFQBUUXBOY-GHMZBOCLSA-N 1 1 185.311 2.286 20 0 AEADMO CCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C 308240317 491086937 /nfs/dbraw/zinc/08/69/37/491086937.db2.gz SKELLFQBUUXBOY-WDEREUQCSA-N 1 1 185.311 2.286 20 0 AEADMO CCCCC[N@@H+](C)[C@@H]1CCCOC1 308241251 491086944 /nfs/dbraw/zinc/08/69/44/491086944.db2.gz SUQKRDRBBKARHN-LLVKDONJSA-N 1 1 185.311 2.287 20 0 AEADMO CCC[N@@H+](C)Cc1ncccc1C 308239428 491087017 /nfs/dbraw/zinc/08/70/17/491087017.db2.gz SBKMIACTRYWQJM-UHFFFAOYSA-N 1 1 178.279 2.232 20 0 AEADMO CCCC[N@H+]1CCO[C@@H](CCC)C1 308238650 491087021 /nfs/dbraw/zinc/08/70/21/491087021.db2.gz RUIRKHGCOWKVPJ-NSHDSACASA-N 1 1 185.311 2.287 20 0 AEADMO CCCC[N@H+]1CCO[C@H](CCC)C1 308238648 491087032 /nfs/dbraw/zinc/08/70/32/491087032.db2.gz RUIRKHGCOWKVPJ-LLVKDONJSA-N 1 1 185.311 2.287 20 0 AEADMO CCCC[N@H+]1CC[C@H](OC)C[C@@H]1C 308240315 491087041 /nfs/dbraw/zinc/08/70/41/491087041.db2.gz SKELLFQBUUXBOY-QWRGUYRKSA-N 1 1 185.311 2.286 20 0 AEADMO CCCC[N@H+]1CC[C@H](OC)C[C@H]1C 308240128 491087050 /nfs/dbraw/zinc/08/70/50/491087050.db2.gz SKELLFQBUUXBOY-MNOVXSKESA-N 1 1 185.311 2.286 20 0 AEADMO CCC[N@H+]1CCC[C@]1(C)CCCO 308244009 491087233 /nfs/dbraw/zinc/08/72/33/491087233.db2.gz UDYCGZPTJMUQGD-LLVKDONJSA-N 1 1 185.311 2.023 20 0 AEADMO CCC[N@H+]1CCC[C@@]1(C)CCCO 308244010 491087256 /nfs/dbraw/zinc/08/72/56/491087256.db2.gz UDYCGZPTJMUQGD-NSHDSACASA-N 1 1 185.311 2.023 20 0 AEADMO CCCC[N@@H+](C)CC1=CCCOC1 308244844 491087265 /nfs/dbraw/zinc/08/72/65/491087265.db2.gz UUKQUBIRNGFFGA-UHFFFAOYSA-N 1 1 183.295 2.065 20 0 AEADMO CCC[N@@H+](C)Cc1ccn(CC)c1 308246823 491087385 /nfs/dbraw/zinc/08/73/85/491087385.db2.gz WPVGUIAFCYTUKB-UHFFFAOYSA-N 1 1 180.295 2.350 20 0 AEADMO CCCCC[N@H+]1CCCOC[C@H]1C 308245892 491087407 /nfs/dbraw/zinc/08/74/07/491087407.db2.gz VQLJRWOJMMINIO-LLVKDONJSA-N 1 1 185.311 2.287 20 0 AEADMO CC[N@@H+](CCCF)Cc1ccoc1 308246099 491087409 /nfs/dbraw/zinc/08/74/09/491087409.db2.gz VWLRLRVVTNLMOG-UHFFFAOYSA-N 1 1 185.242 2.461 20 0 AEADMO CCCCC[N@H+]1CCCOC[C@@H]1C 308245893 491087534 /nfs/dbraw/zinc/08/75/34/491087534.db2.gz VQLJRWOJMMINIO-NSHDSACASA-N 1 1 185.311 2.287 20 0 AEADMO CC[N@H+](Cc1ncc(C)s1)C1CC1 308248126 491087689 /nfs/dbraw/zinc/08/76/89/491087689.db2.gz YVXLGCGPLLHXKA-UHFFFAOYSA-N 1 1 196.319 2.436 20 0 AEADMO CC[N@@H+](Cc1ncc(C)s1)C1CC1 308248126 491087690 /nfs/dbraw/zinc/08/76/90/491087690.db2.gz YVXLGCGPLLHXKA-UHFFFAOYSA-N 1 1 196.319 2.436 20 0 AEADMO CCC[N@@H+](C)Cc1oc(C)nc1C 308248549 491088166 /nfs/dbraw/zinc/08/81/66/491088166.db2.gz ZOTXBGJBCJJJCL-UHFFFAOYSA-N 1 1 182.267 2.133 20 0 AEADMO COc1ccsc1C[N@@H+](C)C1CC1 308250444 491088277 /nfs/dbraw/zinc/08/82/77/491088277.db2.gz BBAZUJQYCRTAPN-UHFFFAOYSA-N 1 1 197.303 2.351 20 0 AEADMO CCn1ccc(C[N@@H+](C)C(C)C)c1 308251223 491088602 /nfs/dbraw/zinc/08/86/02/491088602.db2.gz FPIJKRZSMFAUDU-UHFFFAOYSA-N 1 1 180.295 2.348 20 0 AEADMO CC[C@@H](C)[N@@H+](C)Cc1cccnc1 308284927 491092225 /nfs/dbraw/zinc/09/22/25/491092225.db2.gz CZBPRVLJMTZNAE-SNVBAGLBSA-N 1 1 178.279 2.312 20 0 AEADMO CC(C)CCC[N@@H+](C)[C@H]1CCOC1 308252147 491088815 /nfs/dbraw/zinc/08/88/15/491088815.db2.gz ICPIJAVTXJHYIA-NSHDSACASA-N 1 1 185.311 2.143 20 0 AEADMO CC(C)CCC[N@@H+](C)[C@@H]1CCOC1 308252146 491088888 /nfs/dbraw/zinc/08/88/88/491088888.db2.gz ICPIJAVTXJHYIA-LLVKDONJSA-N 1 1 185.311 2.143 20 0 AEADMO COC1(C[N@@H+](C)C2CC2)CCCC1 308253336 491089008 /nfs/dbraw/zinc/08/90/08/491089008.db2.gz HCSSDZUGGGCAJI-UHFFFAOYSA-N 1 1 183.295 2.040 20 0 AEADMO CC[N@@H+](CC1CC1)C[C@H]1CCSC1 308285266 491092601 /nfs/dbraw/zinc/09/26/01/491092601.db2.gz BPUQICNJSLUGNU-LLVKDONJSA-N 1 1 199.363 2.471 20 0 AEADMO CCCC[N@@H+](CC)Cc1ccno1 308285661 491092490 /nfs/dbraw/zinc/09/24/90/491092490.db2.gz AUFHITCTQUKJEX-UHFFFAOYSA-N 1 1 182.267 2.297 20 0 AEADMO CC[N@@H+](CC1CC1)C[C@@H]1CCSC1 308285267 491092501 /nfs/dbraw/zinc/09/25/01/491092501.db2.gz BPUQICNJSLUGNU-NSHDSACASA-N 1 1 199.363 2.471 20 0 AEADMO CCC[C@H](C)[N@@H+](C)Cc1cn[nH]c1 308285998 491092517 /nfs/dbraw/zinc/09/25/17/491092517.db2.gz DMBWUULAGFNRPZ-VIFPVBQESA-N 1 1 181.283 2.030 20 0 AEADMO COC[C@@H]1CCC[N@H+]1CC=C(C)C 308265690 491090047 /nfs/dbraw/zinc/09/00/47/491090047.db2.gz PGWQMAOIERXCMN-NSHDSACASA-N 1 1 183.295 2.063 20 0 AEADMO COC[C@H]1CCC[N@H+]1CC=C(C)C 308265689 491090192 /nfs/dbraw/zinc/09/01/92/491090192.db2.gz PGWQMAOIERXCMN-LLVKDONJSA-N 1 1 183.295 2.063 20 0 AEADMO C[C@@H](C1CC1)[N@@H+](C)Cc1cncs1 308267888 491090407 /nfs/dbraw/zinc/09/04/07/491090407.db2.gz QOPWJRXGBZMGMF-QMMMGPOBSA-N 1 1 196.319 2.373 20 0 AEADMO C[C@H](C1CC1)[N@@H+](C)Cc1cncs1 308267887 491090413 /nfs/dbraw/zinc/09/04/13/491090413.db2.gz QOPWJRXGBZMGMF-MRVPVSSYSA-N 1 1 196.319 2.373 20 0 AEADMO C[C@@H](C1CC1)[N@@H+](C)Cc1nccs1 308267267 491090416 /nfs/dbraw/zinc/09/04/16/491090416.db2.gz QIFWFGHRELPMBH-QMMMGPOBSA-N 1 1 196.319 2.373 20 0 AEADMO C[C@H](C1CC1)[N@@H+](C)Cc1nccs1 308267266 491090427 /nfs/dbraw/zinc/09/04/27/491090427.db2.gz QIFWFGHRELPMBH-MRVPVSSYSA-N 1 1 196.319 2.373 20 0 AEADMO COC(C)(C)C[N@@H+](C)CC=C(C)C 308278823 491091826 /nfs/dbraw/zinc/09/18/26/491091826.db2.gz WYOOHPFXSOHWQL-UHFFFAOYSA-N 1 1 185.311 2.309 20 0 AEADMO CC[C@H](C)[N@@H+](C)Cc1cccnc1 308284926 491092174 /nfs/dbraw/zinc/09/21/74/491092174.db2.gz CZBPRVLJMTZNAE-JTQLQIEISA-N 1 1 178.279 2.312 20 0 AEADMO CCc1cnc(C[N@H+](C)C2CC2)s1 308283321 491092234 /nfs/dbraw/zinc/09/22/34/491092234.db2.gz YWNQQDAOOYFJBN-UHFFFAOYSA-N 1 1 196.319 2.300 20 0 AEADMO CCc1cnc(C[N@@H+](C)C2CC2)s1 308283321 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PSAKFMMSEYHHPZ-WCBMZHEXSA-N 1 1 197.253 2.462 20 0 AEADMO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCF)o1 308592550 491113276 /nfs/dbraw/zinc/11/32/76/491113276.db2.gz PSAKFMMSEYHHPZ-SCZZXKLOSA-N 1 1 197.253 2.462 20 0 AEADMO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCF)o1 308592553 491113283 /nfs/dbraw/zinc/11/32/83/491113283.db2.gz PSAKFMMSEYHHPZ-WPRPVWTQSA-N 1 1 197.253 2.462 20 0 AEADMO CCC(C)(C)C[NH2+]Cc1n[nH]cc1C 308592844 491113384 /nfs/dbraw/zinc/11/33/84/491113384.db2.gz LCPTZBYCRMJASA-UHFFFAOYSA-N 1 1 195.310 2.244 20 0 AEADMO CCOc1ccccc1C[NH2+]CCF 308604877 491113947 /nfs/dbraw/zinc/11/39/47/491113947.db2.gz WCVXBAQWWUMOOD-UHFFFAOYSA-N 1 1 197.253 2.144 20 0 AEADMO CC1(C[N@H+]2CCC[C@H]2CCO)CCC1 308611027 491114148 /nfs/dbraw/zinc/11/41/48/491114148.db2.gz MDFHFWMCEFIBQP-NSHDSACASA-N 1 1 197.322 2.023 20 0 AEADMO CC1(C[N@H+]2CCC[C@@H]2CCO)CCC1 308611026 491114221 /nfs/dbraw/zinc/11/42/21/491114221.db2.gz MDFHFWMCEFIBQP-LLVKDONJSA-N 1 1 197.322 2.023 20 0 AEADMO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)CCN(C)C 308614789 491114390 /nfs/dbraw/zinc/11/43/90/491114390.db2.gz ROTZEYDBSYUFFK-IJLUTSLNSA-N 1 1 198.354 2.105 20 0 AEADMO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)CCN(C)C 308614797 491114392 /nfs/dbraw/zinc/11/43/92/491114392.db2.gz ROTZEYDBSYUFFK-UTUOFQBUSA-N 1 1 198.354 2.105 20 0 AEADMO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CCN(C)C 308614794 491114411 /nfs/dbraw/zinc/11/44/11/491114411.db2.gz ROTZEYDBSYUFFK-TUAOUCFPSA-N 1 1 198.354 2.105 20 0 AEADMO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)CCN(C)C 308614791 491114479 /nfs/dbraw/zinc/11/44/79/491114479.db2.gz ROTZEYDBSYUFFK-QJPTWQEYSA-N 1 1 198.354 2.105 20 0 AEADMO Cc1[nH]ncc1[C@H](C)[NH2+]CC1(C)CC1 308637287 491115388 /nfs/dbraw/zinc/11/53/88/491115388.db2.gz CSXKKVAEYXFAPB-QMMMGPOBSA-N 1 1 193.294 2.169 20 0 AEADMO Cc1[nH]ncc1[C@@H](C)[NH2+]CC1(C)CC1 308637082 491115449 /nfs/dbraw/zinc/11/54/49/491115449.db2.gz CSXKKVAEYXFAPB-MRVPVSSYSA-N 1 1 193.294 2.169 20 0 AEADMO CC(C)=CCC[NH2+]Cc1n[nH]cc1C 308643197 491115601 /nfs/dbraw/zinc/11/56/01/491115601.db2.gz FWTGECOGFVFLBS-UHFFFAOYSA-N 1 1 193.294 2.164 20 0 AEADMO Cc1[nH]ncc1[C@H](C)[NH2+]CC(C)(C)C 308647085 491115810 /nfs/dbraw/zinc/11/58/10/491115810.db2.gz IEQDPEQMHPHFEA-QMMMGPOBSA-N 1 1 195.310 2.415 20 0 AEADMO Cc1[nH]ncc1[C@@H](C)[NH2+]CC(C)(C)C 308647084 491115874 /nfs/dbraw/zinc/11/58/74/491115874.db2.gz IEQDPEQMHPHFEA-MRVPVSSYSA-N 1 1 195.310 2.415 20 0 AEADMO C[C@@H](CCN(C)C)[NH2+]C1CC(C)(C)C1 308671834 491117001 /nfs/dbraw/zinc/11/70/01/491117001.db2.gz VGAJLYQXEPIDAU-JTQLQIEISA-N 1 1 198.354 2.105 20 0 AEADMO C[C@H](CCN(C)C)[NH2+]C1CC(C)(C)C1 308671835 491117021 /nfs/dbraw/zinc/11/70/21/491117021.db2.gz VGAJLYQXEPIDAU-SNVBAGLBSA-N 1 1 198.354 2.105 20 0 AEADMO CCC[C@H](CC)[NH2+]Cc1n[nH]cc1C 308688244 491117585 /nfs/dbraw/zinc/11/75/85/491117585.db2.gz CKILFDVGDZEACX-JTQLQIEISA-N 1 1 195.310 2.386 20 0 AEADMO CCC[C@@H](CC)[NH2+]Cc1n[nH]cc1C 308688246 491117686 /nfs/dbraw/zinc/11/76/86/491117686.db2.gz CKILFDVGDZEACX-SNVBAGLBSA-N 1 1 195.310 2.386 20 0 AEADMO CC(C)CCC[N@@H+](CCCO)C1CC1 404316326 491119766 /nfs/dbraw/zinc/11/97/66/491119766.db2.gz VWRIEOVAIFYDIL-UHFFFAOYSA-N 1 1 199.338 2.269 20 0 AEADMO CCC[N@@H+](Cc1ccccn1)C1CC1 591470333 491120202 /nfs/dbraw/zinc/12/02/02/491120202.db2.gz OMUMWDBCQPUBKB-UHFFFAOYSA-N 1 1 190.290 2.456 20 0 AEADMO CCC[N@@H+](CC)Cc1ccccn1 591469798 491120230 /nfs/dbraw/zinc/12/02/30/491120230.db2.gz RAEVRLWLPMKFIQ-UHFFFAOYSA-N 1 1 178.279 2.314 20 0 AEADMO CCN1CCC[N@@H+](CCC(C)C)CC1 591470157 491120256 /nfs/dbraw/zinc/12/02/56/491120256.db2.gz VZEOICVAWOOVON-UHFFFAOYSA-N 1 1 198.354 2.060 20 0 AEADMO C[C@H](C1CC1)[N@@H+](C)Cc1ccccn1 591469697 491120265 /nfs/dbraw/zinc/12/02/65/491120265.db2.gz UBIUSSCJYHAGGE-SNVBAGLBSA-N 1 1 190.290 2.312 20 0 AEADMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccccn1 591469696 491120278 /nfs/dbraw/zinc/12/02/78/491120278.db2.gz UBIUSSCJYHAGGE-JTQLQIEISA-N 1 1 190.290 2.312 20 0 AEADMO CCC[NH+](CCC)CC1(CN)CCC1 58082606 1188770698 /nfs/dbraw/zinc/77/06/98/1188770698.db2.gz AZACHJQXKKXOBY-UHFFFAOYSA-N 1 1 198.354 2.237 20 0 AEADMO CCc1cc(NC2(C)CC2)nc(C)[nH+]1 228885330 1188790115 /nfs/dbraw/zinc/79/01/15/1188790115.db2.gz BEHFDALBXZMILK-UHFFFAOYSA-N 1 1 191.278 2.312 20 0 AEADMO C[C@@H]1CC[N@@H+](CCF)CC1(C)C 306451256 1188798474 /nfs/dbraw/zinc/79/84/74/1188798474.db2.gz WFBYDCKJSDSMEX-SECBINFHSA-N 1 1 173.275 2.324 20 0 AEADMO C[C@H]1CC[N@@H+](CCF)CC1(C)C 306451263 1188798535 /nfs/dbraw/zinc/79/85/35/1188798535.db2.gz WFBYDCKJSDSMEX-VIFPVBQESA-N 1 1 173.275 2.324 20 0 AEADMO CSCC[N@H+]1C[C@H]2CCCC[C@H]21 306983509 1188803588 /nfs/dbraw/zinc/80/35/88/1188803588.db2.gz SYEFIWZUWASMQI-NXEZZACHSA-N 1 1 185.336 2.224 20 0 AEADMO CC[C@H](C)[C@@H](C)[N@@H+](C)CC[C@@H](C)O 308288454 1188811353 /nfs/dbraw/zinc/81/13/53/1188811353.db2.gz FOMXIOYGDSDVCN-HBNTYKKESA-N 1 1 187.327 2.124 20 0 AEADMO Cc1ccc(C[NH2+]C(C)(C)CF)nc1 308728894 1188812443 /nfs/dbraw/zinc/81/24/43/1188812443.db2.gz IEBNWPCNOOTUGV-UHFFFAOYSA-N 1 1 196.269 2.228 20 0 AEADMO CC(C)(C)NCC[NH2+][C@@H]1CCC1(C)C 308600982 1188812625 /nfs/dbraw/zinc/81/26/25/1188812625.db2.gz OGOAYNVLLQRKLI-SNVBAGLBSA-N 1 1 198.354 2.153 20 0 AEADMO CC(C)(C)NCC[NH2+][C@H]1CCC1(C)C 308600980 1188812768 /nfs/dbraw/zinc/81/27/68/1188812768.db2.gz OGOAYNVLLQRKLI-JTQLQIEISA-N 1 1 198.354 2.153 20 0 AEADMO C[C@@H]1C[C@H]([N@@H+](C)CC2CCC2)CCO1 335547019 1188814526 /nfs/dbraw/zinc/81/45/26/1188814526.db2.gz CAMWIDFYFZHNGQ-ZYHUDNBSSA-N 1 1 197.322 2.286 20 0 AEADMO CS[C@H]1CC[C@H]([N@@H+](C)CCF)C1 379334440 1188815788 /nfs/dbraw/zinc/81/57/88/1188815788.db2.gz MPGFFMRHCCCACY-IUCAKERBSA-N 1 1 191.315 2.172 20 0 AEADMO CS[C@@H]1CC[C@@H]([N@@H+](C)CCF)C1 379334441 1188815927 /nfs/dbraw/zinc/81/59/27/1188815927.db2.gz MPGFFMRHCCCACY-RKDXNWHRSA-N 1 1 191.315 2.172 20 0 AEADMO CS[C@@H]1CC[C@H]([N@@H+](C)CCF)C1 379334439 1188816090 /nfs/dbraw/zinc/81/60/90/1188816090.db2.gz MPGFFMRHCCCACY-DTWKUNHWSA-N 1 1 191.315 2.172 20 0 AEADMO CS[C@H]1CC[C@@H]([N@@H+](C)CCF)C1 379334438 1188816659 /nfs/dbraw/zinc/81/66/59/1188816659.db2.gz MPGFFMRHCCCACY-BDAKNGLRSA-N 1 1 191.315 2.172 20 0 AEADMO C(=C/C1CC1)\C[NH2+]Cc1cscn1 382167768 1188819685 /nfs/dbraw/zinc/81/96/85/1188819685.db2.gz VLWYLAWCZLTYRP-OWOJBTEDSA-N 1 1 194.303 2.199 20 0 AEADMO C(=C\C1CC1)\C[NH2+]Cc1cscn1 382167769 1188819797 /nfs/dbraw/zinc/81/97/97/1188819797.db2.gz VLWYLAWCZLTYRP-UPHRSURJSA-N 1 1 194.303 2.199 20 0 AEADMO CCC(CC)[NH2+][C@@H](C)c1noc(C)n1 389269529 1188820688 /nfs/dbraw/zinc/82/06/88/1188820688.db2.gz LANOWJMORQPGAO-ZETCQYMHSA-N 1 1 197.282 2.217 20 0 AEADMO CCC(CC)[NH2+][C@H](C)c1noc(C)n1 389269518 1188820742 /nfs/dbraw/zinc/82/07/42/1188820742.db2.gz LANOWJMORQPGAO-SSDOTTSWSA-N 1 1 197.282 2.217 20 0 AEADMO CSCCC[N@@H+](C)C/C=C/Cl 393614745 1188821890 /nfs/dbraw/zinc/82/18/90/1188821890.db2.gz IUKVJTSONSIQQJ-HWKANZROSA-N 1 1 193.743 2.424 20 0 AEADMO CCCCC[NH2+][C@H](C)c1noc(C)n1 393655291 1188822053 /nfs/dbraw/zinc/82/20/53/1188822053.db2.gz HDJLQRXKZHCETN-MRVPVSSYSA-N 1 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1188844038 /nfs/dbraw/zinc/84/40/38/1188844038.db2.gz OVYKHXWOOOCMOC-UWVGGRQHSA-N 1 1 193.294 2.030 20 0 AEADMO CC[C@H]1CC[N@@H+](Cc2c[nH]cn2)[C@H]1C 1473403042 1188844042 /nfs/dbraw/zinc/84/40/42/1188844042.db2.gz OVYKHXWOOOCMOC-UWVGGRQHSA-N 1 1 193.294 2.030 20 0 AEADMO CC[C@@H]1CC[N@@H+](Cc2cnc[nH]2)[C@@H]1C 1473403041 1188844119 /nfs/dbraw/zinc/84/41/19/1188844119.db2.gz OVYKHXWOOOCMOC-NXEZZACHSA-N 1 1 193.294 2.030 20 0 AEADMO CC[C@@H]1CC[N@H+](Cc2c[nH]cn2)[C@@H]1C 1473403041 1188844123 /nfs/dbraw/zinc/84/41/23/1188844123.db2.gz OVYKHXWOOOCMOC-NXEZZACHSA-N 1 1 193.294 2.030 20 0 AEADMO CC[C@@H]1CC[N@@H+](Cc2c[nH]cn2)[C@@H]1C 1473403041 1188844127 /nfs/dbraw/zinc/84/41/27/1188844127.db2.gz OVYKHXWOOOCMOC-NXEZZACHSA-N 1 1 193.294 2.030 20 0 AEADMO CC[C@H]1CC[N@@H+](CC2(C)COC2)[C@H]1C 1473402996 1188844157 /nfs/dbraw/zinc/84/41/57/1188844157.db2.gz NPXKLCPNKUWHJV-QWRGUYRKSA-N 1 1 197.322 2.143 20 0 AEADMO CC[C@@H]1CC[N@@H+](CC2(C)COC2)[C@H]1C 1473402997 1188844699 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698033780 /nfs/dbraw/zinc/03/37/80/698033780.db2.gz TYUIFPDRACWEPF-ZETCQYMHSA-N 1 1 197.282 2.254 20 0 AEADMO CC[NH2+]Cc1nc(C(CC)CC)no1 395184521 698033804 /nfs/dbraw/zinc/03/38/04/698033804.db2.gz HRAPBMKGBOSCRJ-UHFFFAOYSA-N 1 1 197.282 2.083 20 0 AEADMO CCC(CC)c1noc([C@@H]([NH3+])CC)n1 395245214 698034351 /nfs/dbraw/zinc/03/43/51/698034351.db2.gz XECWVJRPENQHDC-QMMMGPOBSA-N 1 1 197.282 2.383 20 0 AEADMO CCC(CC)c1noc([C@H]([NH3+])CC)n1 395245213 698034389 /nfs/dbraw/zinc/03/43/89/698034389.db2.gz XECWVJRPENQHDC-MRVPVSSYSA-N 1 1 197.282 2.383 20 0 AEADMO CCCCCC[NH2+][C@@H]1CCCC[C@H]1N 396781458 698038148 /nfs/dbraw/zinc/03/81/48/698038148.db2.gz XTLRDRDIYCSYIT-VXGBXAGGSA-N 1 1 198.354 2.426 20 0 AEADMO CC[N@@H+](CCC1(O)CCC1)C(C)C 396789304 698038474 /nfs/dbraw/zinc/03/84/74/698038474.db2.gz PYPNRJIQZNCFNH-UHFFFAOYSA-N 1 1 185.311 2.022 20 0 AEADMO CCCCC[C@@H](C)[NH2+]C[C@H](N)C1CC1 399465606 698043407 /nfs/dbraw/zinc/04/34/07/698043407.db2.gz KWUMRTYBIMTPLZ-PWSUYJOCSA-N 1 1 198.354 2.282 20 0 AEADMO CCCCC[C@H](C)[NH2+]C[C@H](N)C1CC1 399465603 698043527 /nfs/dbraw/zinc/04/35/27/698043527.db2.gz KWUMRTYBIMTPLZ-JQWIXIFHSA-N 1 1 198.354 2.282 20 0 AEADMO CCCCC[C@H](C)[NH2+]C[C@@H](N)C1CC1 399465599 698043624 /nfs/dbraw/zinc/04/36/24/698043624.db2.gz KWUMRTYBIMTPLZ-CMPLNLGQSA-N 1 1 198.354 2.282 20 0 AEADMO C[N@@H+](CCC(C)(C)C)[C@@H]1CCC[C@H]1O 399665012 698043660 /nfs/dbraw/zinc/04/36/60/698043660.db2.gz PENCQPNQQGPDFX-GHMZBOCLSA-N 1 1 199.338 2.268 20 0 AEADMO CCCCC[C@@H](C)[NH2+]C[C@@H](N)C1CC1 399465610 698043681 /nfs/dbraw/zinc/04/36/81/698043681.db2.gz KWUMRTYBIMTPLZ-ZYHUDNBSSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@H](O)C[N@@H+](C)CCC(C)(C)C 399648684 698043782 /nfs/dbraw/zinc/04/37/82/698043782.db2.gz HINOGCGGCPTHKO-JTQLQIEISA-N 1 1 187.327 2.125 20 0 AEADMO C=C/C=C/CC[N@H+](CCO)[C@@H](C)CC 713754797 698060143 /nfs/dbraw/zinc/06/01/43/698060143.db2.gz JZAACEFCKICGSN-SYTKJHMZSA-N 1 1 197.322 2.212 20 0 AEADMO CCCCCC[N@H+]1CCC[C@]1(C)CO 723038722 698072149 /nfs/dbraw/zinc/07/21/49/698072149.db2.gz UCNMLUZWWABAFH-GFCCVEGCSA-N 1 1 199.338 2.414 20 0 AEADMO C[C@]1(CO)CCC[N@H+]1CCCC1CC1 723039905 698072180 /nfs/dbraw/zinc/07/21/80/698072180.db2.gz YICNCCDALKSOKB-GFCCVEGCSA-N 1 1 197.322 2.023 20 0 AEADMO C[C@@]1(CO)CCC[N@H+]1CCCC1CC1 723039906 698072250 /nfs/dbraw/zinc/07/22/50/698072250.db2.gz YICNCCDALKSOKB-LBPRGKRZSA-N 1 1 197.322 2.023 20 0 AEADMO CCCCCC[N@H+]1CCC[C@@]1(C)CO 723038723 698072459 /nfs/dbraw/zinc/07/24/59/698072459.db2.gz UCNMLUZWWABAFH-LBPRGKRZSA-N 1 1 199.338 2.414 20 0 AEADMO CCCC[N@@H+](CCO)C[C@@H]1C[C@H]1CC 723114437 698073096 /nfs/dbraw/zinc/07/30/96/698073096.db2.gz DNQOXRIOOLLFSH-NEPJUHHUSA-N 1 1 199.338 2.127 20 0 AEADMO CC[C@@H]1C[C@H]1Cn1cc[nH+]c1C 723108314 698073222 /nfs/dbraw/zinc/07/32/22/698073222.db2.gz XYSKLDDGXYWZFD-ZJUUUORDSA-N 1 1 164.252 2.238 20 0 AEADMO CCc1[nH+]ccn1C[C@@H]1C[C@H]1CC 723107877 698073344 /nfs/dbraw/zinc/07/33/44/698073344.db2.gz WOZKWLQPVOBPEZ-ZJUUUORDSA-N 1 1 178.279 2.492 20 0 AEADMO C[C@@H]1CC[N@H+](CC[C@@H](C)O)C[C@H](C)C1 723789203 698074630 /nfs/dbraw/zinc/07/46/30/698074630.db2.gz DUFYMFQBHWWQRY-IJLUTSLNSA-N 1 1 199.338 2.125 20 0 AEADMO CO[C@@H]1CC[N@@H+](CCC2CCCC2)C1 752088127 698084604 /nfs/dbraw/zinc/08/46/04/698084604.db2.gz JQYROFCDUKXJKR-GFCCVEGCSA-N 1 1 197.322 2.287 20 0 AEADMO CCCC[N@@H+](C)[C@H]1CCN(C)C[C@H]1C 777400701 698093998 /nfs/dbraw/zinc/09/39/98/698093998.db2.gz BUJPCWVZZSDSOG-NEPJUHHUSA-N 1 1 198.354 2.059 20 0 AEADMO CCCC[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C 777400702 698094037 /nfs/dbraw/zinc/09/40/37/698094037.db2.gz BUJPCWVZZSDSOG-NWDGAFQWSA-N 1 1 198.354 2.059 20 0 AEADMO CO[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 799126198 698098754 /nfs/dbraw/zinc/09/87/54/698098754.db2.gz VZZKRMDTJJDDME-NWDGAFQWSA-N 1 1 199.338 2.389 20 0 AEADMO CO[C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 799126199 698099229 /nfs/dbraw/zinc/09/92/29/698099229.db2.gz VZZKRMDTJJDDME-VXGBXAGGSA-N 1 1 199.338 2.389 20 0 AEADMO CCC[N@H+]1CC[C@@H](c2ccccn2)C1 799194524 698099526 /nfs/dbraw/zinc/09/95/26/698099526.db2.gz SLLOEDCQXKEUOC-LLVKDONJSA-N 1 1 190.290 2.281 20 0 AEADMO CCC[N@H+]1CC[C@H](c2ccccn2)C1 799194525 698099730 /nfs/dbraw/zinc/09/97/30/698099730.db2.gz SLLOEDCQXKEUOC-NSHDSACASA-N 1 1 190.290 2.281 20 0 AEADMO CO[C@@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 802641269 698101206 /nfs/dbraw/zinc/10/12/06/698101206.db2.gz UTIGWXSGOSNZFM-GHMZBOCLSA-N 1 1 199.338 2.389 20 0 AEADMO CO[C@@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 802641278 698101366 /nfs/dbraw/zinc/10/13/66/698101366.db2.gz UTIGWXSGOSNZFM-WDEREUQCSA-N 1 1 199.338 2.389 20 0 AEADMO C(CC1CC1)C[N@H+]1CCOCC12CC2 878567475 698143889 /nfs/dbraw/zinc/14/38/89/698143889.db2.gz OTBHIWLHHQYBAX-UHFFFAOYSA-N 1 1 195.306 2.041 20 0 AEADMO C=C/C=C/CC[N@@H+]1CC[C@@H](F)C1 878664190 698144313 /nfs/dbraw/zinc/14/43/13/698144313.db2.gz ZUSBJTXZZCQFLV-HMDXOVGESA-N 1 1 169.243 2.163 20 0 AEADMO C=C/C=C\CC[N@H+](C(C)C)C1COC1 878659018 698144419 /nfs/dbraw/zinc/14/44/19/698144419.db2.gz XTRHTTUAKFAINK-WAYWQWQTSA-N 1 1 195.306 2.228 20 0 AEADMO CC(C)[N@@H+](CCCC1CC1)C1COC1 878658301 698144443 /nfs/dbraw/zinc/14/44/43/698144443.db2.gz PVGALGBBPKXREF-UHFFFAOYSA-N 1 1 197.322 2.286 20 0 AEADMO C=C/C=C\CC[N@@H+]1CC[C@H](F)C1 878664192 698144476 /nfs/dbraw/zinc/14/44/76/698144476.db2.gz ZUSBJTXZZCQFLV-XOULXFPDSA-N 1 1 169.243 2.163 20 0 AEADMO F[C@@H]1CC[N@@H+](CCCC2CC2)C1 878662287 698144538 /nfs/dbraw/zinc/14/45/38/698144538.db2.gz ASPNRPSNVBEHPS-SNVBAGLBSA-N 1 1 171.259 2.220 20 0 AEADMO C=C/C=C/CC[N@@H+]1CC[C@H](F)C1 878664189 698144588 /nfs/dbraw/zinc/14/45/88/698144588.db2.gz ZUSBJTXZZCQFLV-FSIBCCDJSA-N 1 1 169.243 2.163 20 0 AEADMO C=C/C=C/CC[N@H+](C(C)C)C1COC1 878659017 698144608 /nfs/dbraw/zinc/14/46/08/698144608.db2.gz XTRHTTUAKFAINK-AATRIKPKSA-N 1 1 195.306 2.228 20 0 AEADMO C=C/C=C\CC[N@@H+]1CC[C@@H](F)C1 878664191 698144692 /nfs/dbraw/zinc/14/46/92/698144692.db2.gz ZUSBJTXZZCQFLV-UMBAGQNISA-N 1 1 169.243 2.163 20 0 AEADMO F[C@H]1CC[N@@H+](CCCC2CC2)C1 878662285 698144728 /nfs/dbraw/zinc/14/47/28/698144728.db2.gz ASPNRPSNVBEHPS-JTQLQIEISA-N 1 1 171.259 2.220 20 0 AEADMO C=C/C=C\CC[N@H+](C)CC(C)(C)CO 878665257 698144788 /nfs/dbraw/zinc/14/47/88/698144788.db2.gz UHVAITNFBKHQNN-SREVYHEPSA-N 1 1 197.322 2.069 20 0 AEADMO C(CC1CC1)C[N@@H+](C1CC1)C1COC1 878658595 698144798 /nfs/dbraw/zinc/14/47/98/698144798.db2.gz RTURNKFQWFWHQA-UHFFFAOYSA-N 1 1 195.306 2.040 20 0 AEADMO CCC[N@H+]1C[C@H]2CC=CC[C@H]2C1 879528938 698145956 /nfs/dbraw/zinc/14/59/56/698145956.db2.gz NVUGBEWSTWWQBV-PHIMTYICSA-N 1 1 165.280 2.294 20 0 AEADMO CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C)OC[C@H]1C 929183430 698179244 /nfs/dbraw/zinc/17/92/44/698179244.db2.gz WIKZSPADQCBGAL-KXNHARMFSA-N 1 1 197.322 2.142 20 0 AEADMO CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C)OC[C@@H]1C 929183432 698179312 /nfs/dbraw/zinc/17/93/12/698179312.db2.gz WIKZSPADQCBGAL-YFKTTZPYSA-N 1 1 197.322 2.142 20 0 AEADMO CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C)OC[C@@H]1C 929183431 698179413 /nfs/dbraw/zinc/17/94/13/698179413.db2.gz WIKZSPADQCBGAL-QCNOEVLYSA-N 1 1 197.322 2.142 20 0 AEADMO CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C)OC[C@H]1C 929183429 698179472 /nfs/dbraw/zinc/17/94/72/698179472.db2.gz WIKZSPADQCBGAL-KKOKHZNYSA-N 1 1 197.322 2.142 20 0 AEADMO C[C@@H](c1ncccn1)[NH+]1CCCCC1 929238261 698179845 /nfs/dbraw/zinc/17/98/45/698179845.db2.gz NRZQGTORINVQEH-JTQLQIEISA-N 1 1 191.278 2.024 20 0 AEADMO C[C@H](c1ncccn1)[NH+]1CCCCC1 929238272 698179856 /nfs/dbraw/zinc/17/98/56/698179856.db2.gz NRZQGTORINVQEH-SNVBAGLBSA-N 1 1 191.278 2.024 20 0 AEADMO CC[C@@H]1C[C@H]1C[N@H+]1CCS[C@H](C)C1 929519466 698180261 /nfs/dbraw/zinc/18/02/61/698180261.db2.gz ZHFWCRHTYRRDJN-MXWKQRLJSA-N 1 1 199.363 2.470 20 0 AEADMO CC(C)CC[N@H+]1CC[C@H](N(C)C)[C@H]1C 931043642 698181293 /nfs/dbraw/zinc/18/12/93/698181293.db2.gz SKWNRHDTSDZEAC-NEPJUHHUSA-N 1 1 198.354 2.057 20 0 AEADMO CC(C)CC[N@H+]1CC[C@@H](N(C)C)[C@H]1C 931043645 698181432 /nfs/dbraw/zinc/18/14/32/698181432.db2.gz SKWNRHDTSDZEAC-VXGBXAGGSA-N 1 1 198.354 2.057 20 0 AEADMO CC(C)CC[N@H+]1CC[C@H](N(C)C)[C@@H]1C 931043644 698181573 /nfs/dbraw/zinc/18/15/73/698181573.db2.gz SKWNRHDTSDZEAC-RYUDHWBXSA-N 1 1 198.354 2.057 20 0 AEADMO CC(C)CC[N@H+]1CC[C@@H](N(C)C)[C@@H]1C 931043643 698181602 /nfs/dbraw/zinc/18/16/02/698181602.db2.gz SKWNRHDTSDZEAC-NWDGAFQWSA-N 1 1 198.354 2.057 20 0 AEADMO Cc1cccc(N2CCCCC2)[nH+]1 331997 132178300 /nfs/dbraw/zinc/17/83/00/132178300.db2.gz GZGXRUZFOBFJCJ-UHFFFAOYSA-N 1 1 176.263 2.380 20 0 AEADMO C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1O 299891580 133426298 /nfs/dbraw/zinc/42/62/98/133426298.db2.gz WFJKJJUDNNDWCA-WDEREUQCSA-N 1 1 199.338 2.125 20 0 AEADMO CC1CCC([N@H+]2CCC[C@H](O)C2)CC1 221495 342931701 /nfs/dbraw/zinc/93/17/01/342931701.db2.gz KWIGVRPNFNXAHX-MCIGGMRASA-N 1 1 197.322 2.022 20 0 AEADMO CCCC[NH2+]C1C[C@@H]2CC[C@H](C1)N2C 4298843 342990399 /nfs/dbraw/zinc/99/03/99/342990399.db2.gz UECDAJBNCHQEBU-YOGCLGLASA-N 1 1 196.338 2.001 20 0 AEADMO CCCn1cc[nH+]c1C1CC1 18001618 343047938 /nfs/dbraw/zinc/04/79/38/343047938.db2.gz DVLPQEWKACSJQK-UHFFFAOYSA-N 1 1 150.225 2.171 20 0 AEADMO CC[N@@H+](C)C(C1CC1)C1CC1 19455982 343055661 /nfs/dbraw/zinc/05/56/61/343055661.db2.gz ZNANIDPSCYUPQQ-UHFFFAOYSA-N 1 1 153.269 2.127 20 0 AEADMO Cc1ccc(NC(C)C)[nH+]c1 21504940 343075548 /nfs/dbraw/zinc/07/55/48/343075548.db2.gz MYDIXQALLUFZHE-UHFFFAOYSA-N 1 1 150.225 2.210 20 0 AEADMO CCC[N@H+]1CCC[C@H](C)C1 33951177 343108123 /nfs/dbraw/zinc/10/81/23/343108123.db2.gz YIRIERBVWIOARY-VIFPVBQESA-N 1 1 141.258 2.128 20 0 AEADMO CCC[N@H+]1CCC[C@@H](C)C1 33951178 343108133 /nfs/dbraw/zinc/10/81/33/343108133.db2.gz YIRIERBVWIOARY-SECBINFHSA-N 1 1 141.258 2.128 20 0 AEADMO CCc1cc(N)[nH+]c2ccccc12 33966112 343108682 /nfs/dbraw/zinc/10/86/82/343108682.db2.gz KWKVDCPULBZFDS-UHFFFAOYSA-N 1 1 172.231 2.379 20 0 AEADMO C[N@H+]1CC=C(c2ccccc2)C1 33638503 343105821 /nfs/dbraw/zinc/10/58/21/343105821.db2.gz YSXZLMAVUKNKOW-UHFFFAOYSA-N 1 1 159.232 2.015 20 0 AEADMO C[N@@H+](CCCCO)C1CCCCCC1 36328894 343144543 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51019877 343287874 /nfs/dbraw/zinc/28/78/74/343287874.db2.gz NTKJOTGJEFPJQF-NSHDSACASA-N 1 1 185.311 2.023 20 0 AEADMO CC(C)[C@@H](C)[N@@H+](C)CCCCCO 51019840 343287880 /nfs/dbraw/zinc/28/78/80/343287880.db2.gz CYQPSIZEICLQNO-LLVKDONJSA-N 1 1 187.327 2.125 20 0 AEADMO Cc1ccc[nH+]c1NCC1CC1 51040841 343288284 /nfs/dbraw/zinc/28/82/84/343288284.db2.gz HOVHUOQHBWMACY-UHFFFAOYSA-N 1 1 162.236 2.212 20 0 AEADMO CCC[NH2+]Cc1n[nH]c2ccccc12 51666661 343291337 /nfs/dbraw/zinc/29/13/37/343291337.db2.gz WXPIEANEUOBUNQ-UHFFFAOYSA-N 1 1 189.262 2.063 20 0 AEADMO CC(C)[NH2+]Cc1n[nH]c2ccccc12 51666663 343291349 /nfs/dbraw/zinc/29/13/49/343291349.db2.gz FHEOACRJYKMDAC-UHFFFAOYSA-N 1 1 189.262 2.061 20 0 AEADMO CCCCC[N@H+]1CCC[C@@H](CCO)C1 51895503 343295690 /nfs/dbraw/zinc/29/56/90/343295690.db2.gz NIVJDHPJDAOELI-LBPRGKRZSA-N 1 1 199.338 2.271 20 0 AEADMO Cc1cccc(NC2CCC2)[nH+]1 52211236 343302286 /nfs/dbraw/zinc/30/22/86/343302286.db2.gz GCCNSRWGEZPGFN-UHFFFAOYSA-N 1 1 162.236 2.354 20 0 AEADMO 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C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](C)C1 639443257 347517163 /nfs/dbraw/zinc/51/71/63/347517163.db2.gz BDVDUBBYGYXQFK-GRYCIOLGSA-N 1 1 197.322 2.143 20 0 AEADMO C[C@@H]1OCC[C@@H]1C[N@@H+](C)C1CCCC1 639443187 347517227 /nfs/dbraw/zinc/51/72/27/347517227.db2.gz YGKVJSHXERXPFC-WDEREUQCSA-N 1 1 197.322 2.286 20 0 AEADMO C[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@@H]2C)C1 639443259 347517255 /nfs/dbraw/zinc/51/72/55/347517255.db2.gz BDVDUBBYGYXQFK-UTUOFQBUSA-N 1 1 197.322 2.143 20 0 AEADMO C[C@@H]1OCC[C@H]1C[N@H+](C)[C@@H](C)C1CC1 639440514 347517261 /nfs/dbraw/zinc/51/72/61/347517261.db2.gz OABDKMIPICMFHW-NHCYSSNCSA-N 1 1 197.322 2.142 20 0 AEADMO CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CCO[C@H]1C 639441637 347517275 /nfs/dbraw/zinc/51/72/75/347517275.db2.gz XIQPLHHLVDQRQH-SRVKXCTJSA-N 1 1 199.338 2.388 20 0 AEADMO CCCC[N@@H+](C)C[C@H]1CCO[C@H]1C 639432921 347517308 /nfs/dbraw/zinc/51/73/08/347517308.db2.gz DCNRPSUXMOEPSJ-WDEREUQCSA-N 1 1 185.311 2.143 20 0 AEADMO CC(C)[C@H](C)[N@@H+](C)C[C@H]1CCO[C@H]1C 639441635 347517321 /nfs/dbraw/zinc/51/73/21/347517321.db2.gz XIQPLHHLVDQRQH-SDDRHHMPSA-N 1 1 199.338 2.388 20 0 AEADMO C[C@H]1OCC[C@@H]1C[N@@H+](C)C1CCCC1 639443184 347517339 /nfs/dbraw/zinc/51/73/39/347517339.db2.gz YGKVJSHXERXPFC-GHMZBOCLSA-N 1 1 197.322 2.286 20 0 AEADMO C[C@@H]1OCC[C@@H]1C[N@H+](C)[C@@H](C)C1CC1 639440512 347517345 /nfs/dbraw/zinc/51/73/45/347517345.db2.gz OABDKMIPICMFHW-JBLDHEPKSA-N 1 1 197.322 2.142 20 0 AEADMO C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](C)C1 639443260 347517370 /nfs/dbraw/zinc/51/73/70/347517370.db2.gz BDVDUBBYGYXQFK-WOPDTQHZSA-N 1 1 197.322 2.143 20 0 AEADMO CCCC[N@@H+](C)C[C@@H]1CCO[C@@H]1C 639432919 347517410 /nfs/dbraw/zinc/51/74/10/347517410.db2.gz DCNRPSUXMOEPSJ-MNOVXSKESA-N 1 1 185.311 2.143 20 0 AEADMO CCCC[N@@H+](C)C[C@H]1CCO[C@@H]1C 639432918 347517426 /nfs/dbraw/zinc/51/74/26/347517426.db2.gz DCNRPSUXMOEPSJ-GHMZBOCLSA-N 1 1 185.311 2.143 20 0 AEADMO CCCC[N@@H+](C)C[C@@H]1CCO[C@H]1C 639432920 347517449 /nfs/dbraw/zinc/51/74/49/347517449.db2.gz DCNRPSUXMOEPSJ-QWRGUYRKSA-N 1 1 185.311 2.143 20 0 AEADMO C[C@H]1OCC[C@H]1C[N@@H+](C)C1CCCC1 639443185 347517464 /nfs/dbraw/zinc/51/74/64/347517464.db2.gz YGKVJSHXERXPFC-MNOVXSKESA-N 1 1 197.322 2.286 20 0 AEADMO CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CCO[C@@H]1C 639441640 347517479 /nfs/dbraw/zinc/51/74/79/347517479.db2.gz XIQPLHHLVDQRQH-TUAOUCFPSA-N 1 1 199.338 2.388 20 0 AEADMO C[C@@H]1OCC[C@@H]1C[N@H+](C)[C@H](C)C1CC1 639440513 347517495 /nfs/dbraw/zinc/51/74/95/347517495.db2.gz OABDKMIPICMFHW-JFGNBEQYSA-N 1 1 197.322 2.142 20 0 AEADMO CC(C)[C@H](C)[N@@H+](C)C[C@H]1CCO[C@@H]1C 639441634 347517507 /nfs/dbraw/zinc/51/75/07/347517507.db2.gz XIQPLHHLVDQRQH-QJPTWQEYSA-N 1 1 199.338 2.388 20 0 AEADMO C[C@@H]1OCC[C@H]1C[N@@H+](C)C1CCCC1 639443186 347517565 /nfs/dbraw/zinc/51/75/65/347517565.db2.gz YGKVJSHXERXPFC-QWRGUYRKSA-N 1 1 197.322 2.286 20 0 AEADMO CC[N@@H+](CC(C)C)C[C@H]1CCO[C@H]1C 639449977 347517848 /nfs/dbraw/zinc/51/78/48/347517848.db2.gz FVBSCPGAHIXRNL-NWDGAFQWSA-N 1 1 199.338 2.389 20 0 AEADMO CC[N@@H+](CC(C)C)C[C@@H]1CCO[C@@H]1C 639449976 347517864 /nfs/dbraw/zinc/51/78/64/347517864.db2.gz FVBSCPGAHIXRNL-NEPJUHHUSA-N 1 1 199.338 2.389 20 0 AEADMO C[C@@H]1OCC[C@@H]1C[N@H+]1CCCC[C@@H]1C 639445837 347517919 /nfs/dbraw/zinc/51/79/19/347517919.db2.gz SVMVFXVZVADHHX-SDDRHHMPSA-N 1 1 197.322 2.286 20 0 AEADMO CC[N@@H+](CC(C)C)C[C@@H]1CCO[C@H]1C 639449978 347517955 /nfs/dbraw/zinc/51/79/55/347517955.db2.gz FVBSCPGAHIXRNL-RYUDHWBXSA-N 1 1 199.338 2.389 20 0 AEADMO C[C@@H]1OCC[C@H]1C[N@H+]1CCCC[C@H]1C 639445839 347518054 /nfs/dbraw/zinc/51/80/54/347518054.db2.gz SVMVFXVZVADHHX-WOPDTQHZSA-N 1 1 197.322 2.286 20 0 AEADMO C[C@@H]1OCC[C@@H]1C[N@H+]1CCCC[C@H]1C 639445835 347518057 /nfs/dbraw/zinc/51/80/57/347518057.db2.gz SVMVFXVZVADHHX-GRYCIOLGSA-N 1 1 197.322 2.286 20 0 AEADMO C[C@@H]1OCC[C@H]1C[N@H+]1CCCC[C@@H]1C 639445838 347518061 /nfs/dbraw/zinc/51/80/61/347518061.db2.gz SVMVFXVZVADHHX-SRVKXCTJSA-N 1 1 197.322 2.286 20 0 AEADMO CC[N@@H+](CC(C)C)C[C@H]1CCO[C@@H]1C 639449979 347518098 /nfs/dbraw/zinc/51/80/98/347518098.db2.gz FVBSCPGAHIXRNL-VXGBXAGGSA-N 1 1 199.338 2.389 20 0 AEADMO CC(=O)C[N@H+](C1CCCCC1)C1CC1 639452461 347518565 /nfs/dbraw/zinc/51/85/65/347518565.db2.gz PWLCOWPIKLGJKS-UHFFFAOYSA-N 1 1 195.306 2.373 20 0 AEADMO CC(C)[N@@H+](C[C@H]1CCO[C@@H]1C)C1CC1 639452596 347518532 /nfs/dbraw/zinc/51/85/32/347518532.db2.gz RKSBJKAPQQQFKO-GHMZBOCLSA-N 1 1 197.322 2.284 20 0 AEADMO CC(C)[N@@H+](C[C@@H]1CCO[C@@H]1C)C1CC1 639452597 347518550 /nfs/dbraw/zinc/51/85/50/347518550.db2.gz RKSBJKAPQQQFKO-MNOVXSKESA-N 1 1 197.322 2.284 20 0 AEADMO CCC[N@@H+](CC)C[C@@H]1CCO[C@H]1C 639462234 347518682 /nfs/dbraw/zinc/51/86/82/347518682.db2.gz SAUUZXZYOQCVRT-QWRGUYRKSA-N 1 1 185.311 2.143 20 0 AEADMO CC(C)CC[N@@H+](C)C[C@@H]1CCO[C@H]1C 639455749 347518701 /nfs/dbraw/zinc/51/87/01/347518701.db2.gz VPNOPEOPGLMEGA-RYUDHWBXSA-N 1 1 199.338 2.389 20 0 AEADMO CC(C)[N@@H+](C[C@@H]1CCO[C@H]1C)C1CC1 639452598 347518711 /nfs/dbraw/zinc/51/87/11/347518711.db2.gz 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198.354 2.059 20 0 AEADMO CC(C)CC[N@@H+](C)C[C@H]1CCCN1C 643256071 352942348 /nfs/dbraw/zinc/94/23/48/352942348.db2.gz GCEFOHTUIUMPEO-GFCCVEGCSA-N 1 1 198.354 2.059 20 0 AEADMO CC(C)CCN(C)C[C@H]1CCC[N@@H+]1C 643256071 352942351 /nfs/dbraw/zinc/94/23/51/352942351.db2.gz GCEFOHTUIUMPEO-GFCCVEGCSA-N 1 1 198.354 2.059 20 0 AEADMO CC(C)CCN(C)C[C@H]1CCC[N@H+]1C 643256071 352942353 /nfs/dbraw/zinc/94/23/53/352942353.db2.gz GCEFOHTUIUMPEO-GFCCVEGCSA-N 1 1 198.354 2.059 20 0 AEADMO CCCCC[N@@H+](C)C[C@H]1CCCN1C 643256265 352942381 /nfs/dbraw/zinc/94/23/81/352942381.db2.gz NGZWNPAWTUYGDL-GFCCVEGCSA-N 1 1 198.354 2.203 20 0 AEADMO CCCCCN(C)C[C@H]1CCC[N@@H+]1C 643256265 352942383 /nfs/dbraw/zinc/94/23/83/352942383.db2.gz NGZWNPAWTUYGDL-GFCCVEGCSA-N 1 1 198.354 2.203 20 0 AEADMO CCCCCN(C)C[C@H]1CCC[N@H+]1C 643256265 352942385 /nfs/dbraw/zinc/94/23/85/352942385.db2.gz NGZWNPAWTUYGDL-GFCCVEGCSA-N 1 1 198.354 2.203 20 0 AEADMO CCCCC[N@@H+](C)C[C@@H]1CCCN1C 643256266 352942402 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/nfs/dbraw/zinc/95/08/32/352950832.db2.gz XQDXRBXXTZYZRM-UHFFFAOYSA-N 1 1 199.338 2.391 20 0 AEADMO CC[N@@H+](C[C@@H](C)OC)[C@@H]1C=CCCC1 643420682 352950849 /nfs/dbraw/zinc/95/08/49/352950849.db2.gz TZCUCPLPLCCMRS-VXGBXAGGSA-N 1 1 197.322 2.452 20 0 AEADMO CC[N@@H+](CCCOC)CC(C)(C)C 643409808 352950950 /nfs/dbraw/zinc/95/09/50/352950950.db2.gz PZYJSUNTPBRPCD-UHFFFAOYSA-N 1 1 187.327 2.391 20 0 AEADMO CC[N@@H+](Cc1cnc[nH]1)CC(C)(C)C 643409399 352950970 /nfs/dbraw/zinc/95/09/70/352950970.db2.gz YGJHXLAWFGDUHC-UHFFFAOYSA-N 1 1 195.310 2.278 20 0 AEADMO CC[N@H+](Cc1c[nH]cn1)CC(C)(C)C 643409399 352950972 /nfs/dbraw/zinc/95/09/72/352950972.db2.gz YGJHXLAWFGDUHC-UHFFFAOYSA-N 1 1 195.310 2.278 20 0 AEADMO CC[N@@H+](Cc1c[nH]cn1)CC(C)(C)C 643409399 352950974 /nfs/dbraw/zinc/95/09/74/352950974.db2.gz YGJHXLAWFGDUHC-UHFFFAOYSA-N 1 1 195.310 2.278 20 0 AEADMO C[C@@H](O)C[N@@H+](C)CCCC1CCCC1 643412306 352951032 /nfs/dbraw/zinc/95/10/32/352951032.db2.gz ZCIFXRKZEUFUGZ-LLVKDONJSA-N 1 1 199.338 2.269 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/nfs/dbraw/zinc/95/34/16/352953416.db2.gz WDTGULYIBLOYEL-NEPJUHHUSA-N 1 1 198.354 2.282 20 0 AEADMO CCCC[NH2+][C@H]1CCCCC[C@@H]1N 643454245 352953438 /nfs/dbraw/zinc/95/34/38/352953438.db2.gz PWXSCNHNQNPUPY-QWRGUYRKSA-N 1 1 184.327 2.036 20 0 AEADMO CCCC[NH2+][C@@H]1CCCCC[C@@H]1N 643454246 352953469 /nfs/dbraw/zinc/95/34/69/352953469.db2.gz PWXSCNHNQNPUPY-WDEREUQCSA-N 1 1 184.327 2.036 20 0 AEADMO CC(C)CC[NH2+][C@@H]1CCCCC[C@@H]1N 643454445 352953509 /nfs/dbraw/zinc/95/35/09/352953509.db2.gz WDTGULYIBLOYEL-NWDGAFQWSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@@H](NCCC(C)C)[C@@H]1CCC[NH2+]1 643454430 352953708 /nfs/dbraw/zinc/95/37/08/352953708.db2.gz QXFAULKWPLYKCH-NEPJUHHUSA-N 1 1 198.354 2.153 20 0 AEADMO CC(C)CC[NH2+][C@H]1CCCCC[C@@H]1N 643454446 352953725 /nfs/dbraw/zinc/95/37/25/352953725.db2.gz WDTGULYIBLOYEL-RYUDHWBXSA-N 1 1 198.354 2.282 20 0 AEADMO CC(C)CC[NH2+][C@@H]1CCCCC[C@H]1N 643454447 352953810 /nfs/dbraw/zinc/95/38/10/352953810.db2.gz WDTGULYIBLOYEL-VXGBXAGGSA-N 1 1 198.354 2.282 20 0 AEADMO CCCCC[NH2+][C@@H]1CCCCC[C@@H]1N 643455621 352954197 /nfs/dbraw/zinc/95/41/97/352954197.db2.gz GZUNVKFUSGCTRZ-NWDGAFQWSA-N 1 1 198.354 2.426 20 0 AEADMO CCCCC[NH2+][C@@H]1CCCCC[C@H]1N 643455623 352954331 /nfs/dbraw/zinc/95/43/31/352954331.db2.gz GZUNVKFUSGCTRZ-VXGBXAGGSA-N 1 1 198.354 2.426 20 0 AEADMO CCCCC[NH2+][C@H]1CCCCC[C@H]1N 643455620 352954625 /nfs/dbraw/zinc/95/46/25/352954625.db2.gz GZUNVKFUSGCTRZ-NEPJUHHUSA-N 1 1 198.354 2.426 20 0 AEADMO CCCCC[NH2+][C@H]1CCCCC[C@@H]1N 643455622 352954755 /nfs/dbraw/zinc/95/47/55/352954755.db2.gz GZUNVKFUSGCTRZ-RYUDHWBXSA-N 1 1 198.354 2.426 20 0 AEADMO CCCCCN[C@H](CC)[C@@H]1CCC[NH2+]1 643455655 352954842 /nfs/dbraw/zinc/95/48/42/352954842.db2.gz VLUQIJITKNHFEM-NEPJUHHUSA-N 1 1 198.354 2.297 20 0 AEADMO CCCCCN[C@@H](CC)[C@@H]1CCC[NH2+]1 643455656 352954906 /nfs/dbraw/zinc/95/49/06/352954906.db2.gz VLUQIJITKNHFEM-RYUDHWBXSA-N 1 1 198.354 2.297 20 0 AEADMO CCC1(C[NH2+][C@H]2CCC[C@@H]2N)CCC1 643461092 352955127 /nfs/dbraw/zinc/95/51/27/352955127.db2.gz QJOHDWJHNAQCLU-QWRGUYRKSA-N 1 1 196.338 2.036 20 0 AEADMO CCC1(C[NH2+][C@H]2CCC[C@H]2N)CCC1 643461091 352955735 /nfs/dbraw/zinc/95/57/35/352955735.db2.gz QJOHDWJHNAQCLU-MNOVXSKESA-N 1 1 196.338 2.036 20 0 AEADMO CCC1(C[NH2+][C@@H]2CCC[C@H]2N)CCC1 643461090 352955775 /nfs/dbraw/zinc/95/57/75/352955775.db2.gz QJOHDWJHNAQCLU-GHMZBOCLSA-N 1 1 196.338 2.036 20 0 AEADMO CC(C)(C)CCC[NH2+][C@H]1CCC[C@@H]1N 643465304 352956220 /nfs/dbraw/zinc/95/62/20/352956220.db2.gz MFVJYWKVNHHTIW-QWRGUYRKSA-N 1 1 198.354 2.282 20 0 AEADMO CC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1N 643465302 352956310 /nfs/dbraw/zinc/95/63/10/352956310.db2.gz MFVJYWKVNHHTIW-GHMZBOCLSA-N 1 1 198.354 2.282 20 0 AEADMO N[C@@H]1CCCCC[C@@H]1[NH2+]CCC1CC1 643465726 352956414 /nfs/dbraw/zinc/95/64/14/352956414.db2.gz MVSRAEAWAFGPQZ-NEPJUHHUSA-N 1 1 196.338 2.036 20 0 AEADMO CC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1N 643465305 352956553 /nfs/dbraw/zinc/95/65/53/352956553.db2.gz MFVJYWKVNHHTIW-WDEREUQCSA-N 1 1 198.354 2.282 20 0 AEADMO CC(C)(C)CCC[NH2+][C@H]1CCC[C@H]1N 643465303 352956703 /nfs/dbraw/zinc/95/67/03/352956703.db2.gz MFVJYWKVNHHTIW-MNOVXSKESA-N 1 1 198.354 2.282 20 0 AEADMO N[C@@H]1CCCCC[C@H]1[NH2+]CCC1CC1 643465729 352956977 /nfs/dbraw/zinc/95/69/77/352956977.db2.gz MVSRAEAWAFGPQZ-VXGBXAGGSA-N 1 1 196.338 2.036 20 0 AEADMO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1N)C1CC1 643467239 352956991 /nfs/dbraw/zinc/95/69/91/352956991.db2.gz OQSYDFHHGRIVAO-ZMLRMANQSA-N 1 1 196.338 2.035 20 0 AEADMO C[C@H]([NH2+][C@H]1CCCCC[C@H]1N)C1CC1 643467238 352957037 /nfs/dbraw/zinc/95/70/37/352957037.db2.gz OQSYDFHHGRIVAO-WCQGTBRESA-N 1 1 196.338 2.035 20 0 AEADMO N[C@H]1CCCCC[C@@H]1[NH2+]CCC1CC1 643465728 352957081 /nfs/dbraw/zinc/95/70/81/352957081.db2.gz MVSRAEAWAFGPQZ-RYUDHWBXSA-N 1 1 196.338 2.036 20 0 AEADMO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1N)C1CC1 643467237 352957317 /nfs/dbraw/zinc/95/73/17/352957317.db2.gz OQSYDFHHGRIVAO-MVWJERBFSA-N 1 1 196.338 2.035 20 0 AEADMO N[C@H]1CCCCC[C@H]1[NH2+]CCC1CC1 643465727 352957369 /nfs/dbraw/zinc/95/73/69/352957369.db2.gz MVSRAEAWAFGPQZ-NWDGAFQWSA-N 1 1 196.338 2.036 20 0 AEADMO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1N)C1CC1 643467236 352957444 /nfs/dbraw/zinc/95/74/44/352957444.db2.gz OQSYDFHHGRIVAO-DLOVCJGASA-N 1 1 196.338 2.035 20 0 AEADMO CC1(C)C[C@@H]1[NH2+][C@@H]1CCCCC[C@H]1N 643478377 352960607 /nfs/dbraw/zinc/96/06/07/352960607.db2.gz NHULGSURARJEGW-MXWKQRLJSA-N 1 1 196.338 2.035 20 0 AEADMO CC(C)C[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 643475937 352960706 /nfs/dbraw/zinc/96/07/06/352960706.db2.gz YCWORTMTIQBZGI-UTUOFQBUSA-N 1 1 198.354 2.151 20 0 AEADMO CC1(C)C[C@@H]1[NH2+][C@H]1CCCCC[C@H]1N 643478378 352960727 /nfs/dbraw/zinc/96/07/27/352960727.db2.gz NHULGSURARJEGW-VWYCJHECSA-N 1 1 196.338 2.035 20 0 AEADMO CC(C)C[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 643475938 352960779 /nfs/dbraw/zinc/96/07/79/352960779.db2.gz YCWORTMTIQBZGI-WOPDTQHZSA-N 1 1 198.354 2.151 20 0 AEADMO CC(C)C[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 643475933 352960814 /nfs/dbraw/zinc/96/08/14/352960814.db2.gz YCWORTMTIQBZGI-GRYCIOLGSA-N 1 1 198.354 2.151 20 0 AEADMO CC1(C)C[C@@H]1[NH2+][C@H]1CCCCC[C@@H]1N 643478376 352960839 /nfs/dbraw/zinc/96/08/39/352960839.db2.gz NHULGSURARJEGW-DCAQKATOSA-N 1 1 196.338 2.035 20 0 AEADMO CC(C)C[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 643475936 352960944 /nfs/dbraw/zinc/96/09/44/352960944.db2.gz YCWORTMTIQBZGI-IJLUTSLNSA-N 1 1 198.354 2.151 20 0 AEADMO CC1(C)C[C@@H]1[NH2+][C@@H]1CCCCC[C@@H]1N 643478375 352960982 /nfs/dbraw/zinc/96/09/82/352960982.db2.gz NHULGSURARJEGW-AXFHLTTASA-N 1 1 196.338 2.035 20 0 AEADMO CC(C)=CCC[C@@H](C)N[C@H]1CC[NH2+]C1 643492022 352965178 /nfs/dbraw/zinc/96/51/78/352965178.db2.gz JVOXRXOYIYFBAL-NEPJUHHUSA-N 1 1 196.338 2.073 20 0 AEADMO C[C@@H]([NH2+][C@H]1CCCCC[C@@H]1N)C1CC1 643492066 352965233 /nfs/dbraw/zinc/96/52/33/352965233.db2.gz OQSYDFHHGRIVAO-USWWRNFRSA-N 1 1 196.338 2.035 20 0 AEADMO CC(C)=CCC[C@H](C)N[C@H]1CC[NH2+]C1 643492027 352965311 /nfs/dbraw/zinc/96/53/11/352965311.db2.gz JVOXRXOYIYFBAL-RYUDHWBXSA-N 1 1 196.338 2.073 20 0 AEADMO C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1N)C1CC1 643492061 352965324 /nfs/dbraw/zinc/96/53/24/352965324.db2.gz OQSYDFHHGRIVAO-ADEWGFFLSA-N 1 1 196.338 2.035 20 0 AEADMO C[C@@H]([NH2+][C@H]1CCCCC[C@H]1N)C1CC1 643492065 352965640 /nfs/dbraw/zinc/96/56/40/352965640.db2.gz OQSYDFHHGRIVAO-JLLWLGSASA-N 1 1 196.338 2.035 20 0 AEADMO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1N)C1CC1 643492068 352965652 /nfs/dbraw/zinc/96/56/52/352965652.db2.gz OQSYDFHHGRIVAO-YUSALJHKSA-N 1 1 196.338 2.035 20 0 AEADMO CCC[C@H](N[C@H]1CC[NH2+]C1)C(C)(C)C 643492405 352966435 /nfs/dbraw/zinc/96/64/35/352966435.db2.gz NCTXADHGWOQJPV-QWRGUYRKSA-N 1 1 198.354 2.153 20 0 AEADMO CCC[C@@H](N[C@H]1CC[NH2+]C1)C(C)(C)C 643492406 352966452 /nfs/dbraw/zinc/96/64/52/352966452.db2.gz NCTXADHGWOQJPV-WDEREUQCSA-N 1 1 198.354 2.153 20 0 AEADMO CCC[C@@H](N[C@@H]1CC[NH2+]C1)C(C)(C)C 643492403 352966536 /nfs/dbraw/zinc/96/65/36/352966536.db2.gz NCTXADHGWOQJPV-GHMZBOCLSA-N 1 1 198.354 2.153 20 0 AEADMO CCC[C@H](N[C@@H]1CC[NH2+]C1)C(C)(C)C 643492404 352966644 /nfs/dbraw/zinc/96/66/44/352966644.db2.gz NCTXADHGWOQJPV-MNOVXSKESA-N 1 1 198.354 2.153 20 0 AEADMO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@H]1N 643493918 352968190 /nfs/dbraw/zinc/96/81/90/352968190.db2.gz KZRBCFJAFOTSME-MXWKQRLJSA-N 1 1 198.354 2.281 20 0 AEADMO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@H]1N 643493917 352968297 /nfs/dbraw/zinc/96/82/97/352968297.db2.gz KZRBCFJAFOTSME-GMTAPVOTSA-N 1 1 198.354 2.281 20 0 AEADMO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@@H]1N 643493920 352968359 /nfs/dbraw/zinc/96/83/59/352968359.db2.gz KZRBCFJAFOTSME-VWYCJHECSA-N 1 1 198.354 2.281 20 0 AEADMO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]1N 643493919 352968579 /nfs/dbraw/zinc/96/85/79/352968579.db2.gz KZRBCFJAFOTSME-OUAUKWLOSA-N 1 1 198.354 2.281 20 0 AEADMO CCC[C@H]([NH2+]CCN)c1ccsc1 643495869 352969219 /nfs/dbraw/zinc/96/92/19/352969219.db2.gz XSZCRLBCWYTFHN-JTQLQIEISA-N 1 1 198.335 2.138 20 0 AEADMO CCC[C@@H]([NH2+]CCN)c1ccsc1 643495870 352969609 /nfs/dbraw/zinc/96/96/09/352969609.db2.gz XSZCRLBCWYTFHN-SNVBAGLBSA-N 1 1 198.335 2.138 20 0 AEADMO CCC[C@H](C)[C@@H](CC)N[C@H]1CC[NH2+]C1 643499801 352973980 /nfs/dbraw/zinc/97/39/80/352973980.db2.gz PQJBMHGDQGCODL-SDDRHHMPSA-N 1 1 198.354 2.153 20 0 AEADMO CCC[C@H](C)[C@H](CC)N[C@H]1CC[NH2+]C1 643499802 352974000 /nfs/dbraw/zinc/97/40/00/352974000.db2.gz PQJBMHGDQGCODL-SRVKXCTJSA-N 1 1 198.354 2.153 20 0 AEADMO CCCC[C@H](C)[C@H](C)N[C@H]1CC[NH2+]C1 643499677 352974054 /nfs/dbraw/zinc/97/40/54/352974054.db2.gz GKIDLYUSVQOVAA-SRVKXCTJSA-N 1 1 198.354 2.153 20 0 AEADMO CCCC[C@H](C)[C@@H](C)N[C@H]1CC[NH2+]C1 643499678 352974258 /nfs/dbraw/zinc/97/42/58/352974258.db2.gz GKIDLYUSVQOVAA-TUAOUCFPSA-N 1 1 198.354 2.153 20 0 AEADMO CCC(C)(C)[C@@H](C)NC[C@H]1CCC[NH2+]1 643506384 352979597 /nfs/dbraw/zinc/97/95/97/352979597.db2.gz UQMBDPSZEYTZDE-GHMZBOCLSA-N 1 1 198.354 2.153 20 0 AEADMO CCC(C)(C)[C@H](C)NC[C@H]1CCC[NH2+]1 643506387 352979614 /nfs/dbraw/zinc/97/96/14/352979614.db2.gz UQMBDPSZEYTZDE-WDEREUQCSA-N 1 1 198.354 2.153 20 0 AEADMO CCC(C)(C)[C@H](C)NC[C@@H]1CCC[NH2+]1 643506386 352979729 /nfs/dbraw/zinc/97/97/29/352979729.db2.gz UQMBDPSZEYTZDE-QWRGUYRKSA-N 1 1 198.354 2.153 20 0 AEADMO CCC(C)(C)[C@@H](C)NC[C@@H]1CCC[NH2+]1 643506385 352979814 /nfs/dbraw/zinc/97/98/14/352979814.db2.gz UQMBDPSZEYTZDE-MNOVXSKESA-N 1 1 198.354 2.153 20 0 AEADMO CC(C)C[C@H](C)C[C@@H](C)NC1C[NH2+]C1 643509917 352981431 /nfs/dbraw/zinc/98/14/31/352981431.db2.gz JBCXOXZSNPJQNB-WDEREUQCSA-N 1 1 198.354 2.009 20 0 AEADMO CC(C)C[C@H](C)C[C@H](C)NC1C[NH2+]C1 643509916 352981500 /nfs/dbraw/zinc/98/15/00/352981500.db2.gz JBCXOXZSNPJQNB-QWRGUYRKSA-N 1 1 198.354 2.009 20 0 AEADMO CC(C)C[C@@H](C)C[C@H](C)NC1C[NH2+]C1 643509915 352981740 /nfs/dbraw/zinc/98/17/40/352981740.db2.gz JBCXOXZSNPJQNB-MNOVXSKESA-N 1 1 198.354 2.009 20 0 AEADMO CC(C)C[C@@H](C)C[C@@H](C)NC1C[NH2+]C1 643509914 352981977 /nfs/dbraw/zinc/98/19/77/352981977.db2.gz JBCXOXZSNPJQNB-GHMZBOCLSA-N 1 1 198.354 2.009 20 0 AEADMO CC(C)[C@@H](N)C[NH2+][C@@H](C)C1CCCC1 643511577 352982444 /nfs/dbraw/zinc/98/24/44/352982444.db2.gz CVVWVZVMJZSTRH-JQWIXIFHSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](N)C(C)C 643511823 352982561 /nfs/dbraw/zinc/98/25/61/352982561.db2.gz RLZUKFDWBIOCJH-WOPDTQHZSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](N)C(C)C 643511820 352982579 /nfs/dbraw/zinc/98/25/79/352982579.db2.gz RLZUKFDWBIOCJH-GRYCIOLGSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@@H](N)C[NH2+][C@H](C)C1CCCC1 643511578 352982756 /nfs/dbraw/zinc/98/27/56/352982756.db2.gz CVVWVZVMJZSTRH-PWSUYJOCSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](N)C(C)C 643511821 352982807 /nfs/dbraw/zinc/98/28/07/352982807.db2.gz RLZUKFDWBIOCJH-IJLUTSLNSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@H](N)C[NH2+][C@@H](C)C1CCCC1 643511576 352982845 /nfs/dbraw/zinc/98/28/45/352982845.db2.gz CVVWVZVMJZSTRH-CMPLNLGQSA-N 1 1 198.354 2.138 20 0 AEADMO CC(C)[C@H](N)C[NH2+][C@H](C)C1CCCC1 643511579 352982918 /nfs/dbraw/zinc/98/29/18/352982918.db2.gz CVVWVZVMJZSTRH-ZYHUDNBSSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](N)C(C)C 643511822 352982988 /nfs/dbraw/zinc/98/29/88/352982988.db2.gz RLZUKFDWBIOCJH-UTUOFQBUSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@@H]([NH2+]C[C@@H](N)C(C)C)C1CCC1 643511957 352983289 /nfs/dbraw/zinc/98/32/89/352983289.db2.gz WTDXAUQLJSHUJE-VXGBXAGGSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H]([NH2+]C[C@@H](N)C(C)C)C1CCC1 643511954 352983405 /nfs/dbraw/zinc/98/34/05/352983405.db2.gz WTDXAUQLJSHUJE-NEPJUHHUSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H]([NH2+]C[C@H](N)C(C)C)C1CCC1 643511956 352983674 /nfs/dbraw/zinc/98/36/74/352983674.db2.gz WTDXAUQLJSHUJE-RYUDHWBXSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@@H]([NH2+]C[C@H](N)C(C)C)C1CCC1 643511955 352983690 /nfs/dbraw/zinc/98/36/90/352983690.db2.gz WTDXAUQLJSHUJE-NWDGAFQWSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H]1CC[C@@H]1[NH2+]CC(N)(CC)CC 643513809 352984148 /nfs/dbraw/zinc/98/41/48/352984148.db2.gz 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/nfs/dbraw/zinc/98/49/19/352984919.db2.gz MCXGLEVOTUVVLW-NSHDSACASA-N 1 1 198.354 2.282 20 0 AEADMO CCCNCC[NH2+][C@@H](C(C)C)C1CC1 643515199 352986232 /nfs/dbraw/zinc/98/62/32/352986232.db2.gz CPTAQKDTWXNWEH-LBPRGKRZSA-N 1 1 198.354 2.010 20 0 AEADMO CCCNCC[NH2+][C@H](CC)[C@H]1C[C@@H]1C 643515137 352986275 /nfs/dbraw/zinc/98/62/75/352986275.db2.gz HMCHWMRENNORNT-SDDRHHMPSA-N 1 1 198.354 2.010 20 0 AEADMO CCCNCC[NH2+][C@H](CC)[C@@H]1C[C@H]1C 643515135 352986329 /nfs/dbraw/zinc/98/63/29/352986329.db2.gz HMCHWMRENNORNT-IJLUTSLNSA-N 1 1 198.354 2.010 20 0 AEADMO CCCNCC[NH2+][C@@H](CC)C(C)C 643515314 352986398 /nfs/dbraw/zinc/98/63/98/352986398.db2.gz LWWOJDQRZIDKIN-NSHDSACASA-N 1 1 186.343 2.010 20 0 AEADMO CCCNCC[NH2+][C@@H](CC)C1CCC1 643515094 352986446 /nfs/dbraw/zinc/98/64/46/352986446.db2.gz BSMQOSPBIOPWEX-LBPRGKRZSA-N 1 1 198.354 2.154 20 0 AEADMO CCCNCC[NH2+][C@@H](C)C1CCCC1 643515240 352986453 /nfs/dbraw/zinc/98/64/53/352986453.db2.gz OVRTUPMNTDKIHA-NSHDSACASA-N 1 1 198.354 2.154 20 0 AEADMO CCCNCC[NH2+][C@H](CC)[C@H]1C[C@H]1C 643515134 352986463 /nfs/dbraw/zinc/98/64/63/352986463.db2.gz HMCHWMRENNORNT-GRYCIOLGSA-N 1 1 198.354 2.010 20 0 AEADMO CCCNCC[NH2+][C@H](C(C)C)C1CC1 643515198 352986493 /nfs/dbraw/zinc/98/64/93/352986493.db2.gz CPTAQKDTWXNWEH-GFCCVEGCSA-N 1 1 198.354 2.010 20 0 AEADMO CCCNCC[NH2+][C@H]1CCC[C@@H]1CC 643515259 352986502 /nfs/dbraw/zinc/98/65/02/352986502.db2.gz VTYKFGHOEGMGOU-RYUDHWBXSA-N 1 1 198.354 2.154 20 0 AEADMO CCCNCC[NH2+][C@H](CC)[C@@H]1C[C@@H]1C 643515136 352986598 /nfs/dbraw/zinc/98/65/98/352986598.db2.gz HMCHWMRENNORNT-QJPTWQEYSA-N 1 1 198.354 2.010 20 0 AEADMO CCCNCC[NH2+][C@H](C)C1CCCC1 643515239 352986652 /nfs/dbraw/zinc/98/66/52/352986652.db2.gz OVRTUPMNTDKIHA-LLVKDONJSA-N 1 1 198.354 2.154 20 0 AEADMO CCCNCC[NH2+][C@H](C)C(C)(C)C 643515231 352986659 /nfs/dbraw/zinc/98/66/59/352986659.db2.gz LWUYRMIKYYYMEA-SNVBAGLBSA-N 1 1 186.343 2.010 20 0 AEADMO CCC[NH2+]CCN[C@H](C)C(C)(C)C 643515231 352986662 /nfs/dbraw/zinc/98/66/62/352986662.db2.gz LWUYRMIKYYYMEA-SNVBAGLBSA-N 1 1 186.343 2.010 20 0 AEADMO CCCNCC[NH2+][C@H](CC)C(C)C 643515313 352986675 /nfs/dbraw/zinc/98/66/75/352986675.db2.gz LWWOJDQRZIDKIN-LLVKDONJSA-N 1 1 186.343 2.010 20 0 AEADMO CCCNCC[NH2+][C@@H](C)C(C)(C)C 643515230 352986684 /nfs/dbraw/zinc/98/66/84/352986684.db2.gz LWUYRMIKYYYMEA-JTQLQIEISA-N 1 1 186.343 2.010 20 0 AEADMO CCC[NH2+]CCN[C@@H](C)C(C)(C)C 643515230 352986686 /nfs/dbraw/zinc/98/66/86/352986686.db2.gz LWUYRMIKYYYMEA-JTQLQIEISA-N 1 1 186.343 2.010 20 0 AEADMO CCCNCC[NH2+][C@@H]1CCC[C@H]1CC 643515260 352986766 /nfs/dbraw/zinc/98/67/66/352986766.db2.gz VTYKFGHOEGMGOU-VXGBXAGGSA-N 1 1 198.354 2.154 20 0 AEADMO CCCNCC[NH2+][C@H](CC)C1CCC1 643515093 352986805 /nfs/dbraw/zinc/98/68/05/352986805.db2.gz BSMQOSPBIOPWEX-GFCCVEGCSA-N 1 1 198.354 2.154 20 0 AEADMO CCCNCC[NH2+][C@H]1CCC[C@H]1CC 643515257 352986897 /nfs/dbraw/zinc/98/68/97/352986897.db2.gz VTYKFGHOEGMGOU-NEPJUHHUSA-N 1 1 198.354 2.154 20 0 AEADMO CCCNCC[NH2+][C@@H]1CCC[C@@H]1CC 643515258 352986913 /nfs/dbraw/zinc/98/69/13/352986913.db2.gz VTYKFGHOEGMGOU-NWDGAFQWSA-N 1 1 198.354 2.154 20 0 AEADMO CC[C@H]1CCC[C@@H]1[NH2+]CC1(N)CCC1 643517838 352989209 /nfs/dbraw/zinc/98/92/09/352989209.db2.gz ISXICIRCIVJXSM-QWRGUYRKSA-N 1 1 196.338 2.036 20 0 AEADMO C[C@H]([NH2+]CC1(N)CCC1)C1CCCC1 643517878 352989053 /nfs/dbraw/zinc/98/90/53/352989053.db2.gz STVQKEGIGNQARI-JTQLQIEISA-N 1 1 196.338 2.036 20 0 AEADMO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](N)C1CC1 643516730 352989167 /nfs/dbraw/zinc/98/91/67/352989167.db2.gz OXGZECZUUVNCJI-GXSJLCMTSA-N 1 1 198.354 2.138 20 0 AEADMO CC[C@H]([NH2+]CC1(N)CCC1)C1CCC1 643517925 352989192 /nfs/dbraw/zinc/98/91/92/352989192.db2.gz BLKASUJJNIHBDZ-NSHDSACASA-N 1 1 196.338 2.036 20 0 AEADMO CC[C@H]1CCC[C@H]1[NH2+]CC1(N)CCC1 643517839 352989307 /nfs/dbraw/zinc/98/93/07/352989307.db2.gz ISXICIRCIVJXSM-WDEREUQCSA-N 1 1 196.338 2.036 20 0 AEADMO CCC(C)(C)[C@@H](C)[NH2+]CC1(N)CCC1 643518005 352989343 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656789660 409451963 /nfs/dbraw/zinc/45/19/63/409451963.db2.gz USORQNIURBYBOI-NSHDSACASA-N 1 1 198.354 2.426 20 0 AEADMO CC(C)(C)CC[NH2+]CC1(N)CCCC1 656789740 409452060 /nfs/dbraw/zinc/45/20/60/409452060.db2.gz WTSVQAQECGMANR-UHFFFAOYSA-N 1 1 198.354 2.284 20 0 AEADMO CC(C)C[C@@H](C)[NH2+]CC1(N)CCCC1 656788998 409452081 /nfs/dbraw/zinc/45/20/81/409452081.db2.gz HTWHTSRFMGIKKV-LLVKDONJSA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@H](C)C[C@H](CC)N[C@H]1CC[NH2+]C1 656788193 409452146 /nfs/dbraw/zinc/45/21/46/409452146.db2.gz SWLOKIRBDNFYTK-SRVKXCTJSA-N 1 1 198.354 2.153 20 0 AEADMO C[C@@H]1CCC[C@@H]1[NH2+]CC1(N)CCCC1 656789566 409452311 /nfs/dbraw/zinc/45/23/11/409452311.db2.gz RASAHBUMYLMIOQ-MNOVXSKESA-N 1 1 196.338 2.036 20 0 AEADMO CCC[C@@H](C)[NH2+]CC1(N)CCCC1 656789570 409452483 /nfs/dbraw/zinc/45/24/83/409452483.db2.gz RBBWBLFMXVBMJQ-SNVBAGLBSA-N 1 1 184.327 2.036 20 0 AEADMO C[C@H]([NH2+]CC1(N)CCCC1)C1CCC1 656789398 409452510 /nfs/dbraw/zinc/45/25/10/409452510.db2.gz NYBAOJFNUSDIIO-JTQLQIEISA-N 1 1 196.338 2.036 20 0 AEADMO C[C@H]1CCC[C@H]1[NH2+]CC1(N)CCCC1 656789568 409452664 /nfs/dbraw/zinc/45/26/64/409452664.db2.gz RASAHBUMYLMIOQ-WDEREUQCSA-N 1 1 196.338 2.036 20 0 AEADMO C[C@@H](CC1CC1)[NH2+]CC1(N)CCCC1 656789074 409452832 /nfs/dbraw/zinc/45/28/32/409452832.db2.gz IGMFMQSJWAHAFS-JTQLQIEISA-N 1 1 196.338 2.036 20 0 AEADMO CC(C)C[C@H](C)[NH2+]CC1(N)CCCC1 656789000 409452844 /nfs/dbraw/zinc/45/28/44/409452844.db2.gz HTWHTSRFMGIKKV-NSHDSACASA-N 1 1 198.354 2.282 20 0 AEADMO CC[C@H](C)C[C@@H](CC)N[C@H]1CC[NH2+]C1 656788194 409452855 /nfs/dbraw/zinc/45/28/55/409452855.db2.gz SWLOKIRBDNFYTK-TUAOUCFPSA-N 1 1 198.354 2.153 20 0 AEADMO CCC[C@H](C)[NH2+]CC1(N)CCCC1 656789569 409452946 /nfs/dbraw/zinc/45/29/46/409452946.db2.gz RBBWBLFMXVBMJQ-JTQLQIEISA-N 1 1 184.327 2.036 20 0 AEADMO CC[C@@H](C[C@H](C)CC)N[C@H]1CC[NH2+]C1 656788196 409453000 /nfs/dbraw/zinc/45/30/00/409453000.db2.gz SWLOKIRBDNFYTK-WOPDTQHZSA-N 1 1 198.354 2.153 20 0 AEADMO C[C@@H]([NH2+]CC1(N)CCCC1)C1CCC1 656789400 409453032 /nfs/dbraw/zinc/45/30/32/409453032.db2.gz NYBAOJFNUSDIIO-SNVBAGLBSA-N 1 1 196.338 2.036 20 0 AEADMO C[C@H](CC1CC1)[NH2+]CC1(N)CCCC1 656789075 409453109 /nfs/dbraw/zinc/45/31/09/409453109.db2.gz IGMFMQSJWAHAFS-SNVBAGLBSA-N 1 1 196.338 2.036 20 0 AEADMO C[C@H]1CCC[C@@H]1[NH2+]CC1(N)CCCC1 656789567 409453159 /nfs/dbraw/zinc/45/31/59/409453159.db2.gz RASAHBUMYLMIOQ-QWRGUYRKSA-N 1 1 196.338 2.036 20 0 AEADMO CCC[N@H+]1CCCC[C@@H]1COCC 657140253 409457232 /nfs/dbraw/zinc/45/72/32/409457232.db2.gz LWWDXLYTURNWNO-LLVKDONJSA-N 1 1 185.311 2.287 20 0 AEADMO CC(C)CCC[N@H+]1CCNCC1(C)C 106876256 409457757 /nfs/dbraw/zinc/45/77/57/409457757.db2.gz BBBOHQIKNYQOHV-UHFFFAOYSA-N 1 1 198.354 2.106 20 0 AEADMO CC(C)CCCN1CC[NH2+]CC1(C)C 106876256 409457760 /nfs/dbraw/zinc/45/77/60/409457760.db2.gz BBBOHQIKNYQOHV-UHFFFAOYSA-N 1 1 198.354 2.106 20 0 AEADMO CCOC[C@@H]1CCCC[N@H+]1CC1CC1 657111556 409457845 /nfs/dbraw/zinc/45/78/45/409457845.db2.gz VTCDUCMJDGRAOC-LBPRGKRZSA-N 1 1 197.322 2.287 20 0 AEADMO CCC[N@H+]1CCCC[C@H]1COCC 657140257 409457892 /nfs/dbraw/zinc/45/78/92/409457892.db2.gz LWWDXLYTURNWNO-NSHDSACASA-N 1 1 185.311 2.287 20 0 AEADMO CCOC[C@H]1CCCC[N@H+]1CC1CC1 657111555 409458007 /nfs/dbraw/zinc/45/80/07/409458007.db2.gz VTCDUCMJDGRAOC-GFCCVEGCSA-N 1 1 197.322 2.287 20 0 AEADMO CC(C)=CC[N@H+]1CCC[C@@H]2COC[C@@H]21 657215725 409458527 /nfs/dbraw/zinc/45/85/27/409458527.db2.gz YOPITOOUDAOXBG-NEPJUHHUSA-N 1 1 195.306 2.063 20 0 AEADMO C[C@@H](O)CC[N@H+]1CCC[C@@H]1C(C)(C)C 108311613 409458638 /nfs/dbraw/zinc/45/86/38/409458638.db2.gz DVBWNOVUMWZZMA-GHMZBOCLSA-N 1 1 199.338 2.268 20 0 AEADMO CC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)C 108296191 409458765 /nfs/dbraw/zinc/45/87/65/409458765.db2.gz JHWISKRQXBRNIG-SNVBAGLBSA-N 1 1 183.295 2.086 20 0 AEADMO C[C@H](O)CC[N@H+]1CC[C@H](C(C)(C)C)C1 108311595 409458844 /nfs/dbraw/zinc/45/88/44/409458844.db2.gz DMLDYSINHHXADO-QWRGUYRKSA-N 1 1 199.338 2.125 20 0 AEADMO CC[C@H](C)C[N@H+]1CCC[C@@H]2COC[C@@H]21 657215573 409458854 /nfs/dbraw/zinc/45/88/54/409458854.db2.gz UDWIVOSCCMTJBC-TUAOUCFPSA-N 1 1 197.322 2.143 20 0 AEADMO CC(=O)C[N@H+]1CCC[C@H]1C(C)(C)C 108296192 409459013 /nfs/dbraw/zinc/45/90/13/409459013.db2.gz JHWISKRQXBRNIG-JTQLQIEISA-N 1 1 183.295 2.086 20 0 AEADMO C[C@@H](O)CC[N@H+]1CC[C@H](C(C)(C)C)C1 108311599 409459028 /nfs/dbraw/zinc/45/90/28/409459028.db2.gz DMLDYSINHHXADO-MNOVXSKESA-N 1 1 199.338 2.125 20 0 AEADMO CC(C)CC[N@H+]1CCC[C@@H]2COC[C@@H]21 657215751 409459055 /nfs/dbraw/zinc/45/90/55/409459055.db2.gz ZIPYDGRNEGFHNZ-NEPJUHHUSA-N 1 1 197.322 2.143 20 0 AEADMO CC(C)[C@H]1CCCC[N@@H+]1CC[C@@H](C)O 108311606 409459076 /nfs/dbraw/zinc/45/90/76/409459076.db2.gz YFPWDOQMBLWTLV-VXGBXAGGSA-N 1 1 199.338 2.268 20 0 AEADMO C[C@H](O)CC[N@H+]1CCC[C@@H]1C(C)(C)C 108311611 409459227 /nfs/dbraw/zinc/45/92/27/409459227.db2.gz DVBWNOVUMWZZMA-WDEREUQCSA-N 1 1 199.338 2.268 20 0 AEADMO CC(=O)C[N@@H+]1CCCC[C@@H]1C(C)C 108296186 409459481 /nfs/dbraw/zinc/45/94/81/409459481.db2.gz LEDZCWITKOMBPX-LLVKDONJSA-N 1 1 183.295 2.086 20 0 AEADMO CC(=O)C[N@@H+]1CCCC[C@H]1C(C)C 108296185 409459503 /nfs/dbraw/zinc/45/95/03/409459503.db2.gz LEDZCWITKOMBPX-NSHDSACASA-N 1 1 183.295 2.086 20 0 AEADMO CC[C@@H](C)C[N@H+]1CCC[C@@H]2COC[C@@H]21 657215575 409459735 /nfs/dbraw/zinc/45/97/35/409459735.db2.gz UDWIVOSCCMTJBC-UTUOFQBUSA-N 1 1 197.322 2.143 20 0 AEADMO CC(C)[C@@H]1CCCC[N@@H+]1CC[C@@H](C)O 108311603 409459777 /nfs/dbraw/zinc/45/97/77/409459777.db2.gz YFPWDOQMBLWTLV-NEPJUHHUSA-N 1 1 199.338 2.268 20 0 AEADMO C[N@@H+](CCCF)C1CC(C)(C)C1 657241752 409460567 /nfs/dbraw/zinc/46/05/67/409460567.db2.gz SSIQSULMNRMLMH-UHFFFAOYSA-N 1 1 173.275 2.466 20 0 AEADMO COCCC[N@@H+](C)C1CC(C)(C)C1 657242088 409460627 /nfs/dbraw/zinc/46/06/27/409460627.db2.gz NUQGREJZSFULKF-UHFFFAOYSA-N 1 1 185.311 2.143 20 0 AEADMO CO[C@@H](C)C[N@@H+](C)C1CC(C)(C)C1 657245097 409460645 /nfs/dbraw/zinc/46/06/45/409460645.db2.gz WNJAJKLTCKCSRM-VIFPVBQESA-N 1 1 185.311 2.142 20 0 AEADMO CC(C)CC[N@@H+](CC[C@H](C)O)C1CC1 109669018 409460904 /nfs/dbraw/zinc/46/09/04/409460904.db2.gz GZAZJIAIEXADEB-NSHDSACASA-N 1 1 199.338 2.268 20 0 AEADMO CCOCC[N@@H+](C)C1CC(C)(C)C1 657242104 409460959 /nfs/dbraw/zinc/46/09/59/409460959.db2.gz ZOODXEZGCRYLDX-UHFFFAOYSA-N 1 1 185.311 2.143 20 0 AEADMO CO[C@H](C)C[N@@H+](C)C1CC(C)(C)C1 657245096 409461128 /nfs/dbraw/zinc/46/11/28/409461128.db2.gz WNJAJKLTCKCSRM-SECBINFHSA-N 1 1 185.311 2.142 20 0 AEADMO C[N@@H+](CC1(C)COC1)C1CC(C)(C)C1 657242089 409461162 /nfs/dbraw/zinc/46/11/62/409461162.db2.gz OBSQWDZLDVOOQC-UHFFFAOYSA-N 1 1 197.322 2.143 20 0 AEADMO CC(C)CCN(CC(C)(C)[NH3+])C1CC1 109279742 409461634 /nfs/dbraw/zinc/46/16/34/409461634.db2.gz MBGDDVAJVPPYAM-UHFFFAOYSA-N 1 1 198.354 2.234 20 0 AEADMO CC(C)CC[N@H+](CC(C)(C)N)C1CC1 109279742 409461638 /nfs/dbraw/zinc/46/16/38/409461638.db2.gz MBGDDVAJVPPYAM-UHFFFAOYSA-N 1 1 198.354 2.234 20 0 AEADMO CC(C)CC[N@@H+](CC(C)(C)N)C1CC1 109279742 409461641 /nfs/dbraw/zinc/46/16/41/409461641.db2.gz MBGDDVAJVPPYAM-UHFFFAOYSA-N 1 1 198.354 2.234 20 0 AEADMO CC[N@@H+](CC(C)C)C(C)C 113138555 409462850 /nfs/dbraw/zinc/46/28/50/409462850.db2.gz JSAFLDXSCMRDEH-UHFFFAOYSA-N 1 1 143.274 2.373 20 0 AEADMO CC(C)CC[N@@H+](CC[C@@H](C)O)C1CC1 109669013 409462008 /nfs/dbraw/zinc/46/20/08/409462008.db2.gz GZAZJIAIEXADEB-LLVKDONJSA-N 1 1 199.338 2.268 20 0 AEADMO CCc1[nH+]ccn1CC[C@H](C)C(C)=O 657256470 409462607 /nfs/dbraw/zinc/46/26/07/409462607.db2.gz YRRPWVYRRMEMQE-VIFPVBQESA-N 1 1 194.278 2.061 20 0 AEADMO CCc1[nH+]ccn1CC[C@@H](C)C(C)=O 657256468 409462918 /nfs/dbraw/zinc/46/29/18/409462918.db2.gz YRRPWVYRRMEMQE-SECBINFHSA-N 1 1 194.278 2.061 20 0 AEADMO CCc1[nH+]ccn1CC1CC=CC1 657256138 409463092 /nfs/dbraw/zinc/46/30/92/409463092.db2.gz WBRJWIOXCLRSKN-UHFFFAOYSA-N 1 1 176.263 2.412 20 0 AEADMO C[N@@H+](CCc1ccccc1)C1CC1 117660587 409464950 /nfs/dbraw/zinc/46/49/50/409464950.db2.gz NQEQWTMKZOHTQH-UHFFFAOYSA-N 1 1 175.275 2.323 20 0 AEADMO 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665247300 409859732 /nfs/dbraw/zinc/85/97/32/409859732.db2.gz ZUZKHQUJTLQFFV-WDEREUQCSA-N 1 1 196.338 2.036 20 0 AEADMO CC[C@H](C)[N@@H+](CCO)CC1(C)CCC1 379631792 409860152 /nfs/dbraw/zinc/86/01/52/409860152.db2.gz OJRLVGPGHHYHID-NSHDSACASA-N 1 1 199.338 2.269 20 0 AEADMO CCC[C@@H](C)[C@@H](CC)N[C@H]1CC[NH2+]C1 665243659 409860183 /nfs/dbraw/zinc/86/01/83/409860183.db2.gz PQJBMHGDQGCODL-GRYCIOLGSA-N 1 1 198.354 2.153 20 0 AEADMO CC[C@@H]1CC[C@@H]1[NH2+]CC1(N)CCCC1 665247298 409860280 /nfs/dbraw/zinc/86/02/80/409860280.db2.gz ZUZKHQUJTLQFFV-MNOVXSKESA-N 1 1 196.338 2.036 20 0 AEADMO CC[C@H](C)[C@@H](C)[NH2+]CC1(N)CCCC1 665250363 409860942 /nfs/dbraw/zinc/86/09/42/409860942.db2.gz PBINKCVDEOFINE-WDEREUQCSA-N 1 1 198.354 2.282 20 0 AEADMO CC1(C[N@@H+](CCO)C2CCC2)CCC1 379644436 409861003 /nfs/dbraw/zinc/86/10/03/409861003.db2.gz XGIOUMHHKYHTTM-UHFFFAOYSA-N 1 1 197.322 2.023 20 0 AEADMO CC[C@@H]([NH2+]CC1(N)CCCC1)C(C)C 665250683 409861091 /nfs/dbraw/zinc/86/10/91/409861091.db2.gz 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CC[C@H]([NH2+]CC1(N)CCCC1)C1CC1 665249808 409862219 /nfs/dbraw/zinc/86/22/19/409862219.db2.gz ZQUIZYCXZSNZNT-NSHDSACASA-N 1 1 196.338 2.036 20 0 AEADMO CCC[C@@H](C)[C@H](CC)N[C@H]1CC[NH2+]C1 665243660 409862688 /nfs/dbraw/zinc/86/26/88/409862688.db2.gz PQJBMHGDQGCODL-WOPDTQHZSA-N 1 1 198.354 2.153 20 0 AEADMO CC[C@@H](C)[C@H](C)[NH2+]CC1(N)CCCC1 665250361 409863086 /nfs/dbraw/zinc/86/30/86/409863086.db2.gz PBINKCVDEOFINE-MNOVXSKESA-N 1 1 198.354 2.282 20 0 AEADMO CCCCC[N@H+]1CCC[C@@H](CO)[C@H]1C 665269099 409863882 /nfs/dbraw/zinc/86/38/82/409863882.db2.gz QXJBWMCBARSHNW-NEPJUHHUSA-N 1 1 199.338 2.269 20 0 AEADMO CC[C@H](C)C[N@H+]1CCC[C@@H](CO)[C@H]1C 665270556 409864418 /nfs/dbraw/zinc/86/44/18/409864418.db2.gz BGCMJIHBDMDWBP-TUAOUCFPSA-N 1 1 199.338 2.125 20 0 AEADMO CC[C@H](C)C[N@H+]1CCC[C@@H](CO)[C@@H]1C 665270555 409864624 /nfs/dbraw/zinc/86/46/24/409864624.db2.gz BGCMJIHBDMDWBP-SRVKXCTJSA-N 1 1 199.338 2.125 20 0 AEADMO CC[C@H](C)C[N@H+]1CCC[C@H](CO)[C@@H]1C 665270554 409864776 /nfs/dbraw/zinc/86/47/76/409864776.db2.gz BGCMJIHBDMDWBP-SDDRHHMPSA-N 1 1 199.338 2.125 20 0 AEADMO CCCCC[N@H+]1CCC[C@@H](CO)[C@@H]1C 665269101 409864788 /nfs/dbraw/zinc/86/47/88/409864788.db2.gz QXJBWMCBARSHNW-RYUDHWBXSA-N 1 1 199.338 2.269 20 0 AEADMO N[C@@H]1CCC[C@@H]1[NH2+]CCCC1CCC1 665267251 409865191 /nfs/dbraw/zinc/86/51/91/409865191.db2.gz SQPWIVZOUSPYDW-NEPJUHHUSA-N 1 1 196.338 2.036 20 0 AEADMO N[C@H]1CCC[C@H]1[NH2+]CCCC1CCC1 665267252 409865339 /nfs/dbraw/zinc/86/53/39/409865339.db2.gz SQPWIVZOUSPYDW-NWDGAFQWSA-N 1 1 196.338 2.036 20 0 AEADMO N[C@H]1CCC[C@@H]1[NH2+]CCCC1CCC1 665267253 409865858 /nfs/dbraw/zinc/86/58/58/409865858.db2.gz SQPWIVZOUSPYDW-RYUDHWBXSA-N 1 1 196.338 2.036 20 0 AEADMO CC(C)CC[N@H+]1CCC[C@@H](CO)[C@H]1C 665269111 409865962 /nfs/dbraw/zinc/86/59/62/409865962.db2.gz UGOCNKRENGAVJE-NEPJUHHUSA-N 1 1 199.338 2.125 20 0 AEADMO CCCCC[N@H+]1CCC[C@H](CO)[C@@H]1C 665269100 409866055 /nfs/dbraw/zinc/86/60/55/409866055.db2.gz QXJBWMCBARSHNW-NWDGAFQWSA-N 1 1 199.338 2.269 20 0 AEADMO CC(C)CC[N@H+]1CCC[C@H](CO)[C@@H]1C 665269112 409866068 /nfs/dbraw/zinc/86/60/68/409866068.db2.gz UGOCNKRENGAVJE-NWDGAFQWSA-N 1 1 199.338 2.125 20 0 AEADMO CC(C)CC[N@H+]1CCC[C@@H](CO)[C@@H]1C 665269113 409866325 /nfs/dbraw/zinc/86/63/25/409866325.db2.gz UGOCNKRENGAVJE-RYUDHWBXSA-N 1 1 199.338 2.125 20 0 AEADMO CCCCC[N@H+]1CCC[C@H](CO)[C@H]1C 665269102 409866375 /nfs/dbraw/zinc/86/63/75/409866375.db2.gz QXJBWMCBARSHNW-VXGBXAGGSA-N 1 1 199.338 2.269 20 0 AEADMO CC(C)CC[N@H+]1CCC[C@H](CO)[C@H]1C 665269114 409866514 /nfs/dbraw/zinc/86/65/14/409866514.db2.gz UGOCNKRENGAVJE-VXGBXAGGSA-N 1 1 199.338 2.125 20 0 AEADMO N[C@@H]1CCC[C@H]1[NH2+]CCCC1CCC1 665267254 409866607 /nfs/dbraw/zinc/86/66/07/409866607.db2.gz SQPWIVZOUSPYDW-VXGBXAGGSA-N 1 1 196.338 2.036 20 0 AEADMO CC[C@H](C)C[N@H+]1CCC[C@H](CO)[C@H]1C 665270553 409867112 /nfs/dbraw/zinc/86/71/12/409867112.db2.gz BGCMJIHBDMDWBP-QJPTWQEYSA-N 1 1 199.338 2.125 20 0 AEADMO COCCC[N@H+]1CC[C@@H](C2CCC2)C1 665286645 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COCCC[N@H+]1CC[C@H](C2CCC2)C1 665286646 409870243 /nfs/dbraw/zinc/87/02/43/409870243.db2.gz QVPHUSAFVQKJHN-LBPRGKRZSA-N 1 1 197.322 2.145 20 0 AEADMO CNC[C@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C 665295240 409870777 /nfs/dbraw/zinc/87/07/77/409870777.db2.gz AQQNCGAMCRSZHU-DCAQKATOSA-N 1 1 198.354 2.009 20 0 AEADMO CO[C@H](C)C[N@H+]1CC[C@@H](C2CCC2)C1 665288780 409870802 /nfs/dbraw/zinc/87/08/02/409870802.db2.gz XVTREDPWHMSJTD-ZYHUDNBSSA-N 1 1 197.322 2.143 20 0 AEADMO CC[N@H+]1CC[C@@H](C2CCC2)C1 665286744 409870880 /nfs/dbraw/zinc/87/08/80/409870880.db2.gz SUGNPIXFEWMYRG-SNVBAGLBSA-N 1 1 153.269 2.128 20 0 AEADMO CO[C@@H](C)C[N@H+]1CC[C@@H](C2CCC2)C1 665288777 409870925 /nfs/dbraw/zinc/87/09/25/409870925.db2.gz XVTREDPWHMSJTD-CMPLNLGQSA-N 1 1 197.322 2.143 20 0 AEADMO CO[C@H](C)C[N@H+]1CC[C@H](C2CCC2)C1 665288779 409871034 /nfs/dbraw/zinc/87/10/34/409871034.db2.gz XVTREDPWHMSJTD-PWSUYJOCSA-N 1 1 197.322 2.143 20 0 AEADMO CNC[C@H](C)[NH2+]C1[C@H](C)CCC[C@H]1C 665295242 409871405 /nfs/dbraw/zinc/87/14/05/409871405.db2.gz AQQNCGAMCRSZHU-MXWKQRLJSA-N 1 1 198.354 2.009 20 0 AEADMO CCC[C@H]([NH2+][C@@H](C)CNC)C1CCC1 665297509 409871594 /nfs/dbraw/zinc/87/15/94/409871594.db2.gz HLBOBVGBDLWHGE-JQWIXIFHSA-N 1 1 198.354 2.153 20 0 AEADMO CCC[C@H]([NH2+][C@H](C)CNC)C1CCC1 665297510 409871847 /nfs/dbraw/zinc/87/18/47/409871847.db2.gz HLBOBVGBDLWHGE-PWSUYJOCSA-N 1 1 198.354 2.153 20 0 AEADMO CCC[C@@H]([NH2+][C@H](C)CNC)C1CCC1 665297511 409871866 /nfs/dbraw/zinc/87/18/66/409871866.db2.gz HLBOBVGBDLWHGE-ZYHUDNBSSA-N 1 1 198.354 2.153 20 0 AEADMO CNC[C@@H](C)[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 665295241 409871958 /nfs/dbraw/zinc/87/19/58/409871958.db2.gz AQQNCGAMCRSZHU-KXNHARMFSA-N 1 1 198.354 2.009 20 0 AEADMO CNC[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C 665297958 409872001 /nfs/dbraw/zinc/87/20/01/409872001.db2.gz PAVWLHVQGHCKQH-WHOHXGKFSA-N 1 1 198.354 2.009 20 0 AEADMO CNC[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 665296134 409872131 /nfs/dbraw/zinc/87/21/31/409872131.db2.gz NHUXGQKRIMZAGX-GHMZBOCLSA-N 1 1 198.354 2.153 20 0 AEADMO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CNC 665297980 409872192 /nfs/dbraw/zinc/87/21/92/409872192.db2.gz PTRFZQQEDDDBDP-QJPTWQEYSA-N 1 1 198.354 2.153 20 0 AEADMO CNC[C@H](C)[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 665295243 409872517 /nfs/dbraw/zinc/87/25/17/409872517.db2.gz AQQNCGAMCRSZHU-WHOHXGKFSA-N 1 1 198.354 2.009 20 0 AEADMO CNC[C@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 665297957 409872568 /nfs/dbraw/zinc/87/25/68/409872568.db2.gz PAVWLHVQGHCKQH-NOOOWODRSA-N 1 1 198.354 2.009 20 0 AEADMO CCC[C@@H]([NH2+][C@@H](C)CNC)C1CCC1 665297508 409872775 /nfs/dbraw/zinc/87/27/75/409872775.db2.gz HLBOBVGBDLWHGE-CMPLNLGQSA-N 1 1 198.354 2.153 20 0 AEADMO CNC[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 665296136 409872832 /nfs/dbraw/zinc/87/28/32/409872832.db2.gz NHUXGQKRIMZAGX-QWRGUYRKSA-N 1 1 198.354 2.153 20 0 AEADMO CNC[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C 665297956 409873011 /nfs/dbraw/zinc/87/30/11/409873011.db2.gz PAVWLHVQGHCKQH-FIQHERPVSA-N 1 1 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/nfs/dbraw/zinc/92/88/44/409928844.db2.gz WIUZCCUJENGPSV-MNOVXSKESA-N 1 1 199.338 2.268 20 0 AEADMO CC(C)CC[NH2+][C@@H](C)[C@H]1CCCCN1 386153464 409933529 /nfs/dbraw/zinc/93/35/29/409933529.db2.gz SOQCYUVXONNCLX-NWDGAFQWSA-N 1 1 198.354 2.153 20 0 AEADMO C[C@H]([NH2+]CC(C)(C)C)[C@@H]1CCCCN1 386129190 409933593 /nfs/dbraw/zinc/93/35/93/409933593.db2.gz OGFJKVGIGYCVBG-QWRGUYRKSA-N 1 1 198.354 2.153 20 0 AEADMO CCCCC[NH2+][C@@H](C)[C@H]1CCCCN1 386109230 409933861 /nfs/dbraw/zinc/93/38/61/409933861.db2.gz LEAMCFVYWMZYMZ-NWDGAFQWSA-N 1 1 198.354 2.297 20 0 AEADMO CC(C)CC[NH2+][C@H](C)[C@H]1CCCCN1 386153466 409934487 /nfs/dbraw/zinc/93/44/87/409934487.db2.gz SOQCYUVXONNCLX-VXGBXAGGSA-N 1 1 198.354 2.153 20 0 AEADMO C[C@@H]([NH2+]CC(C)(C)C)[C@H]1CCCCN1 386129188 409934655 /nfs/dbraw/zinc/93/46/55/409934655.db2.gz OGFJKVGIGYCVBG-GHMZBOCLSA-N 1 1 198.354 2.153 20 0 AEADMO CCCCC[NH2+][C@H](C)[C@@H]1CCCCN1 386109229 409935002 /nfs/dbraw/zinc/93/50/02/409935002.db2.gz LEAMCFVYWMZYMZ-NEPJUHHUSA-N 1 1 198.354 2.297 20 0 AEADMO CC(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1 386153463 409935234 /nfs/dbraw/zinc/93/52/34/409935234.db2.gz SOQCYUVXONNCLX-NEPJUHHUSA-N 1 1 198.354 2.153 20 0 AEADMO CC(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1 386153465 409935511 /nfs/dbraw/zinc/93/55/11/409935511.db2.gz SOQCYUVXONNCLX-RYUDHWBXSA-N 1 1 198.354 2.153 20 0 AEADMO C[C@@H]([NH2+]CC(C)(C)C)[C@@H]1CCCCN1 386129189 409935750 /nfs/dbraw/zinc/93/57/50/409935750.db2.gz OGFJKVGIGYCVBG-MNOVXSKESA-N 1 1 198.354 2.153 20 0 AEADMO CCCCC[NH2+][C@@H](C)[C@@H]1CCCCN1 386109234 409935768 /nfs/dbraw/zinc/93/57/68/409935768.db2.gz LEAMCFVYWMZYMZ-RYUDHWBXSA-N 1 1 198.354 2.297 20 0 AEADMO CCCCC[NH2+][C@H](C)[C@H]1CCCCN1 386109235 409935788 /nfs/dbraw/zinc/93/57/88/409935788.db2.gz LEAMCFVYWMZYMZ-VXGBXAGGSA-N 1 1 198.354 2.297 20 0 AEADMO C[C@H]([NH2+]CC(C)(C)C)[C@H]1CCCCN1 386129191 409935810 /nfs/dbraw/zinc/93/58/10/409935810.db2.gz OGFJKVGIGYCVBG-WDEREUQCSA-N 1 1 198.354 2.153 20 0 AEADMO COCC(C)(C)[N@@H+](C)CC1CCC1 388264656 409952749 /nfs/dbraw/zinc/95/27/49/409952749.db2.gz BREOEMUUAXXOCS-UHFFFAOYSA-N 1 1 185.311 2.143 20 0 AEADMO COCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C 388609779 409958376 /nfs/dbraw/zinc/95/83/76/409958376.db2.gz XPLCOSKAVAEJET-WDEREUQCSA-N 1 1 185.311 2.143 20 0 AEADMO COCC[N@@H+](C)[C@H]1CCCC[C@H]1C 388609777 409958530 /nfs/dbraw/zinc/95/85/30/409958530.db2.gz XPLCOSKAVAEJET-MNOVXSKESA-N 1 1 185.311 2.143 20 0 AEADMO CCC[N@@H+](CC[C@H](C)O)CC(C)C 388603621 409958842 /nfs/dbraw/zinc/95/88/42/409958842.db2.gz TZMNVILDWVGWJD-NSHDSACASA-N 1 1 187.327 2.125 20 0 AEADMO COCC[N@@H+](C)[C@H]1CCCC[C@@H]1C 388609778 409958889 /nfs/dbraw/zinc/95/88/89/409958889.db2.gz XPLCOSKAVAEJET-QWRGUYRKSA-N 1 1 185.311 2.143 20 0 AEADMO COCC[N@@H+](C)[C@@H]1CCCC[C@H]1C 388609775 409958907 /nfs/dbraw/zinc/95/89/07/409958907.db2.gz XPLCOSKAVAEJET-GHMZBOCLSA-N 1 1 185.311 2.143 20 0 AEADMO CCC[N@@H+](CC[C@@H](C)O)CC(C)C 388603620 409958957 /nfs/dbraw/zinc/95/89/57/409958957.db2.gz TZMNVILDWVGWJD-LLVKDONJSA-N 1 1 187.327 2.125 20 0 AEADMO CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 388650731 409960504 /nfs/dbraw/zinc/96/05/04/409960504.db2.gz RRFBQRGHGUATEB-QWRGUYRKSA-N 1 1 185.311 2.286 20 0 AEADMO CCC(N)(CC)C[NH2+][C@H]1CCC1(C)C 389228749 409964544 /nfs/dbraw/zinc/96/45/44/409964544.db2.gz ACYMGCMQMCVZQA-JTQLQIEISA-N 1 1 198.354 2.282 20 0 AEADMO CCC(N)(CC)C[NH2+][C@@H]1CCC1(C)C 389228751 409966195 /nfs/dbraw/zinc/96/61/95/409966195.db2.gz ACYMGCMQMCVZQA-SNVBAGLBSA-N 1 1 198.354 2.282 20 0 AEADMO C[C@@H](CN)[N@@H+](C)CCCC1CCCC1 389726770 409971505 /nfs/dbraw/zinc/97/15/05/409971505.db2.gz RCFDSRWEBZXCAU-NSHDSACASA-N 1 1 198.354 2.236 20 0 AEADMO C[C@@H](C[NH3+])N(C)CCCC1CCCC1 389726770 409971515 /nfs/dbraw/zinc/97/15/15/409971515.db2.gz RCFDSRWEBZXCAU-NSHDSACASA-N 1 1 198.354 2.236 20 0 AEADMO C[C@H](CN)[N@@H+](C)CCCC1CCCC1 389726769 409972498 /nfs/dbraw/zinc/97/24/98/409972498.db2.gz RCFDSRWEBZXCAU-LLVKDONJSA-N 1 1 198.354 2.236 20 0 AEADMO C[C@H](C[NH3+])N(C)CCCC1CCCC1 389726769 409972502 /nfs/dbraw/zinc/97/25/02/409972502.db2.gz RCFDSRWEBZXCAU-LLVKDONJSA-N 1 1 198.354 2.236 20 0 AEADMO NC1(C[NH2+]CCC2CCCC2)CCC1 389967256 409973259 /nfs/dbraw/zinc/97/32/59/409973259.db2.gz YCUBSSSMQCGBMW-UHFFFAOYSA-N 1 1 196.338 2.038 20 0 AEADMO CCC(C)(C)CC[N@H+]1CCC[C@H](N)C1 389748175 409974228 /nfs/dbraw/zinc/97/42/28/409974228.db2.gz YCONBPFDVYYTDN-NSHDSACASA-N 1 1 198.354 2.236 20 0 AEADMO CCC(C)(C)CCN1CCC[C@H]([NH3+])C1 389748175 409974233 /nfs/dbraw/zinc/97/42/33/409974233.db2.gz YCONBPFDVYYTDN-NSHDSACASA-N 1 1 198.354 2.236 20 0 AEADMO CC[C@H](CO)[N@@H+](C)CCC1CCCC1 393333409 409980699 /nfs/dbraw/zinc/98/06/99/409980699.db2.gz UWCBZQRNYLRFSM-GFCCVEGCSA-N 1 1 199.338 2.269 20 0 AEADMO CC[C@@H](CO)[N@@H+](C)CCC1CCCC1 393333416 409982728 /nfs/dbraw/zinc/98/27/28/409982728.db2.gz UWCBZQRNYLRFSM-LBPRGKRZSA-N 1 1 199.338 2.269 20 0 AEADMO CCCCC[N@H+]1CCC[C@H](O)CC1 393498051 409984227 /nfs/dbraw/zinc/98/42/27/409984227.db2.gz IDXVGHQNILXWCX-NSHDSACASA-N 1 1 185.311 2.023 20 0 AEADMO CCCCC[N@H+]1CCC[C@@H](O)CC1 393498048 409985344 /nfs/dbraw/zinc/98/53/44/409985344.db2.gz IDXVGHQNILXWCX-LLVKDONJSA-N 1 1 185.311 2.023 20 0 AEADMO CC[N@@H+](CCCCO)CC(C)(C)C 393567735 409986678 /nfs/dbraw/zinc/98/66/78/409986678.db2.gz PBVSNBPYIUACFW-UHFFFAOYSA-N 1 1 187.327 2.127 20 0 AEADMO CC[N@@H+](CC[C@@H](C)O)CC(C)(C)C 393542664 409987211 /nfs/dbraw/zinc/98/72/11/409987211.db2.gz NGCGKPYFWUNIFF-SNVBAGLBSA-N 1 1 187.327 2.125 20 0 AEADMO CC(C)CCC[N@H+]1CCO[C@@H](C)C1 393572947 409988476 /nfs/dbraw/zinc/98/84/76/409988476.db2.gz UDLPAMAEKXLODO-NSHDSACASA-N 1 1 185.311 2.143 20 0 AEADMO CC[N@@H+](CC[C@H](C)O)CC(C)(C)C 393542663 409988548 /nfs/dbraw/zinc/98/85/48/409988548.db2.gz NGCGKPYFWUNIFF-JTQLQIEISA-N 1 1 187.327 2.125 20 0 AEADMO CCC(C)(C)CC[N@H+]1CCCNCC1 394472855 409998297 /nfs/dbraw/zinc/99/82/97/409998297.db2.gz YRSRQGKYMTXIAH-UHFFFAOYSA-N 1 1 198.354 2.108 20 0 AEADMO CCC(C)(C)CCN1CCC[NH2+]CC1 394472855 409998306 /nfs/dbraw/zinc/99/83/06/409998306.db2.gz YRSRQGKYMTXIAH-UHFFFAOYSA-N 1 1 198.354 2.108 20 0 AEADMO CC(C)CC[N@@H+](C)[C@H](C)C(C)(C)O 394946215 409998609 /nfs/dbraw/zinc/99/86/09/409998609.db2.gz HYPVDFBNMCUBDJ-SNVBAGLBSA-N 1 1 187.327 2.124 20 0 AEADMO CC(C)CC[N@@H+](C)[C@@H](C)C(C)(C)O 394946213 409998916 /nfs/dbraw/zinc/99/89/16/409998916.db2.gz HYPVDFBNMCUBDJ-JTQLQIEISA-N 1 1 187.327 2.124 20 0 AEADMO C[C@@H](CN)[N@@H+](C)C[C@H]1CCCC[C@H]1C 394820977 409999445 /nfs/dbraw/zinc/99/94/45/409999445.db2.gz HGUHCTLGHRKWAF-GRYCIOLGSA-N 1 1 198.354 2.092 20 0 AEADMO C[C@@H](C[NH3+])N(C)C[C@H]1CCCC[C@H]1C 394820977 409999451 /nfs/dbraw/zinc/99/94/51/409999451.db2.gz HGUHCTLGHRKWAF-GRYCIOLGSA-N 1 1 198.354 2.092 20 0 AEADMO C[C@@H](CN)[N@@H+](C)C[C@@H]1CCCC[C@H]1C 394820982 409999614 /nfs/dbraw/zinc/99/96/14/409999614.db2.gz HGUHCTLGHRKWAF-WOPDTQHZSA-N 1 1 198.354 2.092 20 0 AEADMO C[C@@H](C[NH3+])N(C)C[C@@H]1CCCC[C@H]1C 394820982 409999622 /nfs/dbraw/zinc/99/96/22/409999622.db2.gz HGUHCTLGHRKWAF-WOPDTQHZSA-N 1 1 198.354 2.092 20 0 AEADMO C[C@@H]1CCCC[C@H]1C[N@H+](C)[C@H](C)CN 394820981 409999853 /nfs/dbraw/zinc/99/98/53/409999853.db2.gz HGUHCTLGHRKWAF-UTUOFQBUSA-N 1 1 198.354 2.092 20 0 AEADMO C[C@@H]1CCCC[C@H]1CN(C)[C@H](C)C[NH3+] 394820981 409999861 /nfs/dbraw/zinc/99/98/61/409999861.db2.gz HGUHCTLGHRKWAF-UTUOFQBUSA-N 1 1 198.354 2.092 20 0 AEADMO C[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@H](C)CN 394820979 409999899 /nfs/dbraw/zinc/99/98/99/409999899.db2.gz HGUHCTLGHRKWAF-IJLUTSLNSA-N 1 1 198.354 2.092 20 0 AEADMO C[C@@H]1CCCC[C@@H]1CN(C)[C@H](C)C[NH3+] 394820979 409999902 /nfs/dbraw/zinc/99/99/02/409999902.db2.gz HGUHCTLGHRKWAF-IJLUTSLNSA-N 1 1 198.354 2.092 20 0 AEADMO CCC(CC)C[N@@H+](C)C1(CN)CCC1 395411906 410005673 /nfs/dbraw/zinc/00/56/73/410005673.db2.gz YBBJZVWGMUIKKJ-UHFFFAOYSA-N 1 1 198.354 2.236 20 0 AEADMO CC(C)CCC[N@@H+](C)C1(CN)CCC1 395366678 410005902 /nfs/dbraw/zinc/00/59/02/410005902.db2.gz DHIBJVYEEXGBKO-UHFFFAOYSA-N 1 1 198.354 2.236 20 0 AEADMO CC(C)CCCN(C)C1(C[NH3+])CCC1 395366678 410005909 /nfs/dbraw/zinc/00/59/09/410005909.db2.gz DHIBJVYEEXGBKO-UHFFFAOYSA-N 1 1 198.354 2.236 20 0 AEADMO CC(C)C[C@H]1CCC[N@H+]1CC[C@@H](C)O 397058010 410010454 /nfs/dbraw/zinc/01/04/54/410010454.db2.gz NOEHCLSOTGCEDP-VXGBXAGGSA-N 1 1 199.338 2.268 20 0 AEADMO CC(C)C[C@@H]1CCC[N@H+]1CC[C@H](C)O 397058006 410010503 /nfs/dbraw/zinc/01/05/03/410010503.db2.gz NOEHCLSOTGCEDP-RYUDHWBXSA-N 1 1 199.338 2.268 20 0 AEADMO CC(C)C[C@H]1CCC[N@H+]1CC(C)(C)N 396779878 410011135 /nfs/dbraw/zinc/01/11/35/410011135.db2.gz UNHJXXFLDJBXOO-LLVKDONJSA-N 1 1 198.354 2.234 20 0 AEADMO CC(C)C[C@@H]1CCC[N@H+]1CC[C@@H](C)O 397057997 410011389 /nfs/dbraw/zinc/01/13/89/410011389.db2.gz NOEHCLSOTGCEDP-NEPJUHHUSA-N 1 1 199.338 2.268 20 0 AEADMO CC(C)C[C@@H]1CCC[N@H+]1CC(C)(C)N 396779880 410011582 /nfs/dbraw/zinc/01/15/82/410011582.db2.gz UNHJXXFLDJBXOO-NSHDSACASA-N 1 1 198.354 2.234 20 0 AEADMO CCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1N 396780712 410011893 /nfs/dbraw/zinc/01/18/93/410011893.db2.gz VYSNKFZAHDDJHO-IJLUTSLNSA-N 1 1 198.354 2.425 20 0 AEADMO CCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N 396764971 410012305 /nfs/dbraw/zinc/01/23/05/410012305.db2.gz VYSNKFZAHDDJHO-QJPTWQEYSA-N 1 1 198.354 2.425 20 0 AEADMO C[N@@H+](CCC1(O)CCC1)C(C)(C)C 396782561 410012477 /nfs/dbraw/zinc/01/24/77/410012477.db2.gz KKNQRPQORLYSCP-UHFFFAOYSA-N 1 1 185.311 2.022 20 0 AEADMO CC(C)C[C@H]1CCC[N@H+]1CC[C@H](C)O 397058001 410012551 /nfs/dbraw/zinc/01/25/51/410012551.db2.gz NOEHCLSOTGCEDP-NWDGAFQWSA-N 1 1 199.338 2.268 20 0 AEADMO C[C@@H]([NH2+]CC1(N)CCCCC1)C1CC1 398213320 410020517 /nfs/dbraw/zinc/02/05/17/410020517.db2.gz TULSAGZNJDBWAX-SNVBAGLBSA-N 1 1 196.338 2.036 20 0 AEADMO C[C@H]([NH2+]CC1(N)CCCCC1)C1CC1 398213318 410021236 /nfs/dbraw/zinc/02/12/36/410021236.db2.gz TULSAGZNJDBWAX-JTQLQIEISA-N 1 1 196.338 2.036 20 0 AEADMO CCCCC[N@H+]1C[C@@H](C)C[C@@H](CO)C1 398817411 410023680 /nfs/dbraw/zinc/02/36/80/410023680.db2.gz CEYWRQCDJZFKPC-NWDGAFQWSA-N 1 1 199.338 2.127 20 0 AEADMO CCCCC[N@H+]1C[C@H](C)C[C@@H](CO)C1 398817958 410025092 /nfs/dbraw/zinc/02/50/92/410025092.db2.gz CEYWRQCDJZFKPC-VXGBXAGGSA-N 1 1 199.338 2.127 20 0 AEADMO CCCCC[N@H+]1C[C@@H](C)C[C@H](CO)C1 398817956 410025255 /nfs/dbraw/zinc/02/52/55/410025255.db2.gz CEYWRQCDJZFKPC-RYUDHWBXSA-N 1 1 199.338 2.127 20 0 AEADMO CCCCC[N@@H+]1C[C@@H](CO)C[C@@H](C)C1 398817407 410025333 /nfs/dbraw/zinc/02/53/33/410025333.db2.gz CEYWRQCDJZFKPC-NEPJUHHUSA-N 1 1 199.338 2.127 20 0 AEADMO CCC[C@@H](O)C[N@H+]1CC[C@@](C)(CC)C1 399314799 410025982 /nfs/dbraw/zinc/02/59/82/410025982.db2.gz FUPWYMGVMWJWKX-VXGBXAGGSA-N 1 1 199.338 2.269 20 0 AEADMO CCC[C@H](O)C[N@H+]1CC[C@@](C)(CC)C1 399314795 410027272 /nfs/dbraw/zinc/02/72/72/410027272.db2.gz FUPWYMGVMWJWKX-NWDGAFQWSA-N 1 1 199.338 2.269 20 0 AEADMO CCC[C@H](O)C[N@H+]1CC[C@](C)(CC)C1 399314797 410028195 /nfs/dbraw/zinc/02/81/95/410028195.db2.gz FUPWYMGVMWJWKX-RYUDHWBXSA-N 1 1 199.338 2.269 20 0 AEADMO CCC[C@@H](O)C[N@H+]1CC[C@](C)(CC)C1 399314793 410028359 /nfs/dbraw/zinc/02/83/59/410028359.db2.gz FUPWYMGVMWJWKX-NEPJUHHUSA-N 1 1 199.338 2.269 20 0 AEADMO CCC[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C 399663646 410029038 /nfs/dbraw/zinc/02/90/38/410029038.db2.gz MAGCLXRKMJQXMA-QCNOEVLYSA-N 1 1 199.338 2.124 20 0 AEADMO C[C@@H]1C[N@@H+](CCCCCO)[C@@H](C)[C@@H]1C 399723443 410029168 /nfs/dbraw/zinc/02/91/68/410029168.db2.gz DGAVUMAMFMOTRQ-UTUOFQBUSA-N 1 1 199.338 2.125 20 0 AEADMO C[C@H](O)CCC[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 399807362 410029354 /nfs/dbraw/zinc/02/93/54/410029354.db2.gz VVYFJDLMJFMWEB-YFKTTZPYSA-N 1 1 199.338 2.124 20 0 AEADMO C[C@@H]1C[N@@H+](CCCCCO)[C@H](C)[C@@H]1C 399723439 410029652 /nfs/dbraw/zinc/02/96/52/410029652.db2.gz DGAVUMAMFMOTRQ-IJLUTSLNSA-N 1 1 199.338 2.125 20 0 AEADMO C[C@@H]1C[N@@H+](CCCCCO)[C@H](C)[C@H]1C 399723436 410029744 /nfs/dbraw/zinc/02/97/44/410029744.db2.gz DGAVUMAMFMOTRQ-GRYCIOLGSA-N 1 1 199.338 2.125 20 0 AEADMO CCC[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]1CC 399593952 410029827 /nfs/dbraw/zinc/02/98/27/410029827.db2.gz NHQAVDULXUNRKU-WOPDTQHZSA-N 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/nfs/dbraw/zinc/43/90/50/538439050.db2.gz QZWYSMZIFWJDTR-SDDRHHMPSA-N 1 1 199.338 2.124 20 0 AEADMO CC[C@]1(C)CC[N@@H+](CCCCCO)C1 388964525 538439086 /nfs/dbraw/zinc/43/90/86/538439086.db2.gz NJUNWTPKVNSOOV-GFCCVEGCSA-N 1 1 199.338 2.271 20 0 AEADMO CCCCCC[NH2+]Cc1n[nH]cc1C 393659369 573213194 /nfs/dbraw/zinc/21/31/94/573213194.db2.gz RJLYQTGMCJVPCM-UHFFFAOYSA-N 1 1 195.310 2.388 20 0 AEADMO CC[C@H](C)[C@@H](C)[N@@H+](C)CC(C)(C)O 308323022 573247111 /nfs/dbraw/zinc/24/71/11/573247111.db2.gz ZWDGSNNWBHIPJT-VHSXEESVSA-N 1 1 187.327 2.124 20 0 AEADMO CCC(=O)CCCn1cc[nH+]c1CC 231339241 573325620 /nfs/dbraw/zinc/32/56/20/573325620.db2.gz KEZQLDJDOAOHHJ-UHFFFAOYSA-N 1 1 194.278 2.205 20 0 AEADMO Cc1ccc(C[NH2+]C(C)(C)CF)o1 308389052 573424558 /nfs/dbraw/zinc/42/45/58/573424558.db2.gz WVODIPOBXYRIDG-UHFFFAOYSA-N 1 1 185.242 2.426 20 0 AEADMO C[C@H](O)[C@H](C)[N@H+]1CCCC(C)(C)CC1 83681028 573590739 /nfs/dbraw/zinc/59/07/39/573590739.db2.gz BWDNDLIJMSWFIG-QWRGUYRKSA-N 1 1 199.338 2.268 20 0 AEADMO C[C@H](O)[C@@H](C)[N@H+]1CCCC(C)(C)CC1 83681030 573592757 /nfs/dbraw/zinc/59/27/57/573592757.db2.gz BWDNDLIJMSWFIG-MNOVXSKESA-N 1 1 199.338 2.268 20 0 AEADMO C[C@@H]([C@@H](C)O)[N@H+]1CCCC(C)(C)CC1 83681024 573593991 /nfs/dbraw/zinc/59/39/91/573593991.db2.gz BWDNDLIJMSWFIG-WDEREUQCSA-N 1 1 199.338 2.268 20 0 AEADMO C[C@@H](C[NH2+]Cc1c[nH]cn1)C(C)(C)C 96610134 573632781 /nfs/dbraw/zinc/63/27/81/573632781.db2.gz TXZFEMFGEABTIS-VIFPVBQESA-N 1 1 195.310 2.182 20 0 AEADMO C[C@H]1CC[N@@H+](CCCCCCO)[C@@H]1C 308414149 573679764 /nfs/dbraw/zinc/67/97/64/573679764.db2.gz GQROSJGFOBZQSA-NWDGAFQWSA-N 1 1 199.338 2.269 20 0 AEADMO CCCC[N@@H+](CC)CCC(=O)CC 308431590 573782311 /nfs/dbraw/zinc/78/23/11/573782311.db2.gz UDHFSJAICIIPQS-UHFFFAOYSA-N 1 1 185.311 2.478 20 0 AEADMO CCCC[N@@H+](CCN)C1CCCCC1 76582540 573884047 /nfs/dbraw/zinc/88/40/47/573884047.db2.gz VYEDXNXPQJPUGV-UHFFFAOYSA-N 1 1 198.354 2.380 20 0 AEADMO C1CCN[C@@H](C[NH2+]C2CCCC2)CC1 81038156 573926703 /nfs/dbraw/zinc/92/67/03/573926703.db2.gz QIGLXCPOACOWDL-GFCCVEGCSA-N 1 1 196.338 2.051 20 0 AEADMO C1CC[NH2+][C@@H](CNC2CCCC2)CC1 81038156 573926712 /nfs/dbraw/zinc/92/67/12/573926712.db2.gz QIGLXCPOACOWDL-GFCCVEGCSA-N 1 1 196.338 2.051 20 0 AEADMO C[C@@H](O)CCC[N@H+]1CC2CCC1CC2 308464764 573927097 /nfs/dbraw/zinc/92/70/97/573927097.db2.gz FWILMRGARFITMF-VOMCLLRMSA-N 1 1 197.322 2.022 20 0 AEADMO CCCCC[C@H](C)NC[C@@H]1CCC[NH2+]1 42573888 573985402 /nfs/dbraw/zinc/98/54/02/573985402.db2.gz AGBKTWOXSJDRLO-RYUDHWBXSA-N 1 1 198.354 2.297 20 0 AEADMO CC(=O)[C@H]([NH3+])c1cc(Cl)ccc1C 104504004 574018945 /nfs/dbraw/zinc/01/89/45/574018945.db2.gz OCVBCJPQCMQMBR-JTQLQIEISA-N 1 1 197.665 2.237 20 0 AEADMO CCC[C@@H](C)Nc1cc(NC)[nH+]cn1 87807683 574039508 /nfs/dbraw/zinc/03/95/08/574039508.db2.gz KBQAHSWMYUUZPA-MRVPVSSYSA-N 1 1 194.282 2.119 20 0 AEADMO C[C@H]1CC[N@@H+](CCCCCF)C1 388507632 538433215 /nfs/dbraw/zinc/43/32/15/538433215.db2.gz POXNIYQAKNNUQQ-JTQLQIEISA-N 1 1 173.275 2.468 20 0 AEADMO COCC[N@@H+](CC1CCC1)C(C)C 388721543 538436628 /nfs/dbraw/zinc/43/66/28/538436628.db2.gz SOHYRTCMWNMFGI-UHFFFAOYSA-N 1 1 185.311 2.143 20 0 AEADMO CCCC[N@H+]1CCCO[C@H](CC)C1 388883172 538438458 /nfs/dbraw/zinc/43/84/58/538438458.db2.gz JHHXFRMZKOTRRP-LLVKDONJSA-N 1 1 185.311 2.287 20 0 AEADMO CC(C)C[C@H](C)[N@H+]1CC[C@H]([C@@H](C)O)C1 388984650 538438991 /nfs/dbraw/zinc/43/89/91/538438991.db2.gz QZWYSMZIFWJDTR-TUAOUCFPSA-N 1 1 199.338 2.124 20 0 AEADMO CCCCCC[N@H+]1CC[C@H]([C@H](C)O)C1 252765291 629653290 /nfs/dbraw/zinc/65/32/90/629653290.db2.gz IICUOUPLXQGEEA-RYUDHWBXSA-N 1 1 199.338 2.269 20 0 AEADMO CCCCCC[N@H+]1CC[C@@H]([C@H](C)O)C1 252765290 629653882 /nfs/dbraw/zinc/65/38/82/629653882.db2.gz IICUOUPLXQGEEA-NWDGAFQWSA-N 1 1 199.338 2.269 20 0 AEADMO CCC[C@@H](C)[N@@H+](C)CCF 306768729 629680062 /nfs/dbraw/zinc/68/00/62/629680062.db2.gz ZHNBKVMUQXNKNF-MRVPVSSYSA-N 1 1 147.237 2.076 20 0 AEADMO CC(C)[C@@H](O)C[N@H+]1C[C@@H](C)CC1(C)C 306871020 629681066 /nfs/dbraw/zinc/68/10/66/629681066.db2.gz WDVWKEFEGNWHFO-QWRGUYRKSA-N 1 1 199.338 2.124 20 0 AEADMO C[C@@H]1CCCC[N@@H+](CCF)C1 306926064 629681326 /nfs/dbraw/zinc/68/13/26/629681326.db2.gz OUBAFEUJFDXRLE-SECBINFHSA-N 1 1 159.248 2.078 20 0 AEADMO C[C@H]1CCCC[N@@H+](CCF)C1 306926065 629682958 /nfs/dbraw/zinc/68/29/58/629682958.db2.gz OUBAFEUJFDXRLE-VIFPVBQESA-N 1 1 159.248 2.078 20 0 AEADMO CC(C)[C@H](O)C[N@H+]1C[C@@H](C)CC1(C)C 306871021 629683259 /nfs/dbraw/zinc/68/32/59/629683259.db2.gz WDVWKEFEGNWHFO-WDEREUQCSA-N 1 1 199.338 2.124 20 0 AEADMO CC[C@H]1CC[C@H](C)[N@H+]1CCF 306398963 629693649 /nfs/dbraw/zinc/69/36/49/629693649.db2.gz KKYNDWKINVRUCR-IUCAKERBSA-N 1 1 159.248 2.219 20 0 AEADMO Cc1cnc(Cn2cc[nH+]c2C)s1 306392875 629693978 /nfs/dbraw/zinc/69/39/78/629693978.db2.gz FNUMHTVIWLBTJX-UHFFFAOYSA-N 1 1 193.275 2.005 20 0 AEADMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCF 306398965 629696394 /nfs/dbraw/zinc/69/63/94/629696394.db2.gz KKYNDWKINVRUCR-RKDXNWHRSA-N 1 1 159.248 2.219 20 0 AEADMO FCC[N@H+]1CCC[C@@H]1C1CCC1 306453511 629701159 /nfs/dbraw/zinc/70/11/59/629701159.db2.gz NYEOOLZLAHGBNH-SNVBAGLBSA-N 1 1 171.259 2.220 20 0 AEADMO FCC[N@H+]1CCC[C@H]1C1CCC1 306453510 629701553 /nfs/dbraw/zinc/70/15/53/629701553.db2.gz NYEOOLZLAHGBNH-JTQLQIEISA-N 1 1 171.259 2.220 20 0 AEADMO CCC[N@@H+](CC)C/C=C/Cl 306484134 629704591 /nfs/dbraw/zinc/70/45/91/629704591.db2.gz LWQJYNYPFRWHTD-AATRIKPKSA-N 1 1 161.676 2.471 20 0 AEADMO C[N@@H+](C[C@@H]1CCC=CO1)C1CCC1 306992097 629712861 /nfs/dbraw/zinc/71/28/61/629712861.db2.gz LADAMJFZORNIKE-NSHDSACASA-N 1 1 181.279 2.163 20 0 AEADMO CC[C@@H](C)C[N@H+]1CCn2cccc2C1 932528813 629724500 /nfs/dbraw/zinc/72/45/00/629724500.db2.gz QKWILSAIJUGROQ-LLVKDONJSA-N 1 1 192.306 2.350 20 0 AEADMO CC[C@H](C)C[N@H+]1CCn2cccc2C1 932528814 629724994 /nfs/dbraw/zinc/72/49/94/629724994.db2.gz QKWILSAIJUGROQ-NSHDSACASA-N 1 1 192.306 2.350 20 0 AEADMO CC1=CCC[N@@H+](C/C=C/Cl)C1 307194797 629749171 /nfs/dbraw/zinc/74/91/71/629749171.db2.gz 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629784432 /nfs/dbraw/zinc/78/44/32/629784432.db2.gz RJOVDGPSTSPTAB-ZCFIWIBFSA-N 1 1 194.105 2.274 20 0 AEADMO C[C@H]([N@@H+](C)CCF)C1(C)CC1 307626687 629787721 /nfs/dbraw/zinc/78/77/21/629787721.db2.gz QSOLOOMNTPWTLV-QMMMGPOBSA-N 1 1 159.248 2.076 20 0 AEADMO C[C@@H]([N@@H+](C)CCF)C1(C)CC1 307626684 629789301 /nfs/dbraw/zinc/78/93/01/629789301.db2.gz QSOLOOMNTPWTLV-MRVPVSSYSA-N 1 1 159.248 2.076 20 0 AEADMO CC(C)[N@@H+](CCF)C1CCC1 307626962 629790751 /nfs/dbraw/zinc/79/07/51/629790751.db2.gz QYDCAIHLIOWSCL-UHFFFAOYSA-N 1 1 159.248 2.219 20 0 AEADMO CC(C)C[N@@H+](C)C[Si](C)(C)C 307627177 629791807 /nfs/dbraw/zinc/79/18/07/629791807.db2.gz ISWHTENFPDZQKO-UHFFFAOYSA-N 1 1 173.376 2.452 20 0 AEADMO FCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 307625775 629792695 /nfs/dbraw/zinc/79/26/95/629792695.db2.gz SUZFHPQAZANUBL-UWVGGRQHSA-N 1 1 171.259 2.220 20 0 AEADMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCF 307631333 629796778 /nfs/dbraw/zinc/79/67/78/629796778.db2.gz ZVBAFVQJYOUNRW-ZJUUUORDSA-N 1 1 173.275 2.466 20 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RLGOOTCKKLDNLY-UHFFFAOYSA-N 1 1 159.248 2.078 20 0 AEADMO CC[N@@H+](CCF)C1CCCC1 307758932 629813317 /nfs/dbraw/zinc/81/33/17/629813317.db2.gz QFKHOQNMMHAURF-UHFFFAOYSA-N 1 1 159.248 2.220 20 0 AEADMO C[C@@H]1C[N@@H+](C/C=C\Cl)CCS1 307862654 629819109 /nfs/dbraw/zinc/81/91/09/629819109.db2.gz HTIUXOKLUHELTB-YAJNLLPGSA-N 1 1 191.727 2.176 20 0 AEADMO CC1(C)CC[N@@H+](C/C=C\Cl)C1 307851552 629819155 /nfs/dbraw/zinc/81/91/55/629819155.db2.gz BRQXOCMSYOZHDJ-HYXAFXHYSA-N 1 1 173.687 2.471 20 0 AEADMO C[C@H]1CC[N@@H+](C/C=C\Cl)C1 307842523 629819830 /nfs/dbraw/zinc/81/98/30/629819830.db2.gz YGIKFCPQJQSHFM-LTMVXPGCSA-N 1 1 159.660 2.081 20 0 AEADMO CC[N@@H+](CCF)CCC1CC1 307911050 629821002 /nfs/dbraw/zinc/82/10/02/629821002.db2.gz WSDZESATFSOGFI-UHFFFAOYSA-N 1 1 159.248 2.078 20 0 AEADMO CCO[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2CC)C1 932972999 629821462 /nfs/dbraw/zinc/82/14/62/629821462.db2.gz RTYYAKGFBSXCMN-WOPDTQHZSA-N 1 1 197.322 2.143 20 0 AEADMO CCO[C@H]1CC[N@@H+](C[C@H](C)CC)C1 932970064 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