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PFDCQEURXNVMRM-WDEREUQCSA-N 1 1 199.338 2.532 10 30 AFEEMO C=CCC[C@H](C)[N@H+]1CCC=C(C)C1 308320959 573244695 /nfs/dbraw/zinc/24/46/95/573244695.db2.gz BBHNCKBLDGUDHY-LBPRGKRZSA-N 1 1 179.307 2.993 10 30 AFEEMO C=CCC[C@H](C)[N@H+]1C[C@H]2CCC[C@H]21 308331826 573262787 /nfs/dbraw/zinc/26/27/87/573262787.db2.gz LCYUAKXDDPXBDZ-QJPTWQEYSA-N 1 1 179.307 2.825 10 30 AFEEMO CCCCC[N@@H+](C)C[C@H](C#N)CC 259088076 573333561 /nfs/dbraw/zinc/33/35/61/573333561.db2.gz VTPNHCLJQHXXML-NSHDSACASA-N 1 1 182.311 2.658 10 30 AFEEMO CC(C)C[N@H+]1CCC(C)(C)[C@@H](C#N)C1 259099142 573368954 /nfs/dbraw/zinc/36/89/54/573368954.db2.gz AHDWJXYZFJMHQT-NSHDSACASA-N 1 1 194.322 2.514 10 30 AFEEMO CC(C)C[N@H+]1CCC(C)(C)[C@H](C#N)C1 259099140 573369891 /nfs/dbraw/zinc/36/98/91/573369891.db2.gz AHDWJXYZFJMHQT-LLVKDONJSA-N 1 1 194.322 2.514 10 30 AFEEMO CC[C@](C#N)(C1CC1)[NH+]1CCCCC1 83058779 573382342 /nfs/dbraw/zinc/38/23/42/573382342.db2.gz ZGKNWEJRFDBRKA-LBPRGKRZSA-N 1 1 192.306 2.555 10 30 AFEEMO C=C(Cl)C[NH2+][C@H](C)c1occc1C 129788911 573390485 /nfs/dbraw/zinc/39/04/85/573390485.db2.gz MKDNFVDWPYNGCZ-SECBINFHSA-N 1 1 199.681 2.991 10 30 AFEEMO C=C1CCC[N@H+](CC/C=C/CC)C1 308387320 573417482 /nfs/dbraw/zinc/41/74/82/573417482.db2.gz XRMMDDBUPMFSTR-SNAWJCMRSA-N 1 1 179.307 2.995 10 30 AFEEMO C=C1CCC[N@H+](CC/C=C\CC)C1 308387317 573417849 /nfs/dbraw/zinc/41/78/49/573417849.db2.gz XRMMDDBUPMFSTR-PLNGDYQASA-N 1 1 179.307 2.995 10 30 AFEEMO CCCc1ccc([C@H](S)[NH2+]C)cc1 259102806 573430554 /nfs/dbraw/zinc/43/05/54/573430554.db2.gz AJQBGFQMDMNMMN-NSHDSACASA-N 1 1 195.331 2.787 10 30 AFEEMO CC(C)(C)[N@H+]1C[C@@H](C#N)CCC1(C)C 259468970 573481147 /nfs/dbraw/zinc/48/11/47/573481147.db2.gz QPPVYJNPBXRKFJ-SNVBAGLBSA-N 1 1 194.322 2.799 10 30 AFEEMO C[C@@H]1CCC[C@]1(C#N)[NH+]1CCCCC1 83395987 573484279 /nfs/dbraw/zinc/48/42/79/573484279.db2.gz SRHPHHOKUXXBNN-VXGBXAGGSA-N 1 1 192.306 2.555 10 30 AFEEMO CCC[C@@H]1CCC[C@]([NH3+])(C#N)CC1 83437742 573505051 /nfs/dbraw/zinc/50/50/51/573505051.db2.gz RVIPLSPBOWNEQD-GHMZBOCLSA-N 1 1 180.295 2.588 10 30 AFEEMO CCC[C@H]1CCC[C@]([NH3+])(C#N)CC1 83437743 573505132 /nfs/dbraw/zinc/50/51/32/573505132.db2.gz RVIPLSPBOWNEQD-WDEREUQCSA-N 1 1 180.295 2.588 10 30 AFEEMO C/[NH+]=C(\SC)C1CCCCC1 258709753 573508514 /nfs/dbraw/zinc/50/85/14/573508514.db2.gz NPFSOZVPRZQZBO-KTKRTIGZSA-N 1 1 171.309 2.958 10 30 AFEEMO CC(C)[C@H](C#N)C[N@@H+](C)C(C)(C)C 259110795 573508528 /nfs/dbraw/zinc/50/85/28/573508528.db2.gz XPVORTDUAYGZAU-SNVBAGLBSA-N 1 1 182.311 2.512 10 30 AFEEMO C[NH2+][C@@H](S)c1coc2ccccc12 259486650 573521548 /nfs/dbraw/zinc/52/15/48/573521548.db2.gz RARAKQMODRZKFX-JTQLQIEISA-N 1 1 193.271 2.581 10 30 AFEEMO C[NH2+][C@H](c1cccs1)C(C)(C)C#N 259489567 573521769 /nfs/dbraw/zinc/52/17/69/573521769.db2.gz REMDOZWXVQEPAW-SECBINFHSA-N 1 1 194.303 2.558 10 30 AFEEMO C[NH2+][C@@H](c1cccs1)C(C)(C)C#N 259489568 573522828 /nfs/dbraw/zinc/52/28/28/573522828.db2.gz REMDOZWXVQEPAW-VIFPVBQESA-N 1 1 194.303 2.558 10 30 AFEEMO C[C@H](CC#N)[NH+]1CC2(CCCCC2)C1 86681202 573567640 /nfs/dbraw/zinc/56/76/40/573567640.db2.gz JPQRFBSCXNASGF-LLVKDONJSA-N 1 1 192.306 2.555 10 30 AFEEMO CC[C@H](CC#N)[NH+]1CC2(CCCC2)C1 86681504 573567161 /nfs/dbraw/zinc/56/71/61/573567161.db2.gz FZFKFENEWAXBBM-LLVKDONJSA-N 1 1 192.306 2.555 10 30 AFEEMO CC[C@@H](CC#N)[NH+]1CC2(CCCC2)C1 86681502 573567215 /nfs/dbraw/zinc/56/72/15/573567215.db2.gz FZFKFENEWAXBBM-NSHDSACASA-N 1 1 192.306 2.555 10 30 AFEEMO CC(C)C[N@H+]1C[C@H](CC#N)CC1(C)C 259515742 573575315 /nfs/dbraw/zinc/57/53/15/573575315.db2.gz UVPZEBXLHRMBHK-LLVKDONJSA-N 1 1 194.322 2.657 10 30 AFEEMO C[C@H](C#N)C[N@H+]1CCCC(C)(C)CC1 83680494 573589284 /nfs/dbraw/zinc/58/92/84/573589284.db2.gz RPPINYSRTLRDSJ-LLVKDONJSA-N 1 1 194.322 2.658 10 30 AFEEMO CC[C@@H](C#N)[N@@H+]1CCCC(C)(C)CC1 83680501 573589374 /nfs/dbraw/zinc/58/93/74/573589374.db2.gz FYSVTIMVMBYWMN-NSHDSACASA-N 1 1 194.322 2.801 10 30 AFEEMO CC[C@@H](C#N)[N@H+]1CCCC(C)(C)CC1 83680501 573589381 /nfs/dbraw/zinc/58/93/81/573589381.db2.gz FYSVTIMVMBYWMN-NSHDSACASA-N 1 1 194.322 2.801 10 30 AFEEMO C[C@@H](CC#N)[N@@H+](C)CC1(C)CCCC1 308645970 573599363 /nfs/dbraw/zinc/59/93/63/573599363.db2.gz HKOSTICIXBDKPD-NSHDSACASA-N 1 1 194.322 2.801 10 30 AFEEMO CCCC[N@H+]1C[C@H](CC#N)CC1(C)C 259534843 573627140 /nfs/dbraw/zinc/62/71/40/573627140.db2.gz WGOSCCOPGWACJR-LLVKDONJSA-N 1 1 194.322 2.801 10 30 AFEEMO C[C@@H](CC#N)[NH2+]CC1(F)CCCCC1 308650170 573628780 /nfs/dbraw/zinc/62/87/80/573628780.db2.gz JXNVAZSEFRXCMQ-JTQLQIEISA-N 1 1 198.285 2.551 10 30 AFEEMO C[C@H](CC#N)[NH2+]CC1(F)CCCCC1 308650171 573629772 /nfs/dbraw/zinc/62/97/72/573629772.db2.gz JXNVAZSEFRXCMQ-SNVBAGLBSA-N 1 1 198.285 2.551 10 30 AFEEMO CC(C)[N@H+]1CC[C@@H](CC#N)C(C)(C)C1 259146004 573637212 /nfs/dbraw/zinc/63/72/12/573637212.db2.gz DYZMYWYTYHVRPK-LLVKDONJSA-N 1 1 194.322 2.657 10 30 AFEEMO CC[C@@H](C)[N@H+]1C[C@@H](C#N)CCC1(C)C 259539724 573647160 /nfs/dbraw/zinc/64/71/60/573647160.db2.gz WNUZRFGJBNFUJB-GHMZBOCLSA-N 1 1 194.322 2.799 10 30 AFEEMO CC[C@H](C)[N@H+]1C[C@H](C#N)CCC1(C)C 259539733 573648895 /nfs/dbraw/zinc/64/88/95/573648895.db2.gz WNUZRFGJBNFUJB-QWRGUYRKSA-N 1 1 194.322 2.799 10 30 AFEEMO C=CC[N@H+](CC)C[C@H]1CC=CCC1 393587686 573659320 /nfs/dbraw/zinc/65/93/20/573659320.db2.gz XGPUTKZMBOFYSC-LBPRGKRZSA-N 1 1 179.307 2.851 10 30 AFEEMO CC[NH+](CC)[C@@]1(C#N)CCCC1(C)C 86867642 573667628 /nfs/dbraw/zinc/66/76/28/573667628.db2.gz RWZUWULZICQOFM-GFCCVEGCSA-N 1 1 194.322 2.801 10 30 AFEEMO CC1(C)CCC[C@@]1(C#N)[NH+]1CCCC1 86867660 573667219 /nfs/dbraw/zinc/66/72/19/573667219.db2.gz PEHHLMFKJQEPCR-LBPRGKRZSA-N 1 1 192.306 2.555 10 30 AFEEMO C=C[C@H](C)[N@@H+](C)Cc1ccoc1C 393550713 573693288 /nfs/dbraw/zinc/69/32/88/573693288.db2.gz QOGVCLMYLDJYKB-VIFPVBQESA-N 1 1 179.263 2.594 10 30 AFEEMO C#CC[N@H+](CC)[C@@H](C)CCCC=C 308419137 573693585 /nfs/dbraw/zinc/69/35/85/573693585.db2.gz OEILEQPSKXMPAL-LBPRGKRZSA-N 1 1 179.307 2.686 10 30 AFEEMO C#CC[N@H+](CC)[C@H](C)CCCC=C 308419136 573695144 /nfs/dbraw/zinc/69/51/44/573695144.db2.gz OEILEQPSKXMPAL-GFCCVEGCSA-N 1 1 179.307 2.686 10 30 AFEEMO CCC[N@H+](CC#N)[C@H](C)[C@H](C)CC 308422401 573706307 /nfs/dbraw/zinc/70/63/07/573706307.db2.gz PDOIIUKKIQBMSJ-GHMZBOCLSA-N 1 1 182.311 2.657 10 30 AFEEMO CCC[N@@H+](CC#N)[C@H](C)[C@H](C)CC 308422401 573706312 /nfs/dbraw/zinc/70/63/12/573706312.db2.gz PDOIIUKKIQBMSJ-GHMZBOCLSA-N 1 1 182.311 2.657 10 30 AFEEMO C=CC[N@H+](CCCF)C1CCCC1 308427201 573742611 /nfs/dbraw/zinc/74/26/11/573742611.db2.gz XUWNBGGCOUDJHA-UHFFFAOYSA-N 1 1 185.286 2.777 10 30 AFEEMO C[N@@H+](C1CCC(C#N)CC1)C(C)(C)C 258901012 573743076 /nfs/dbraw/zinc/74/30/76/573743076.db2.gz WFFXUAABTIQGKL-UHFFFAOYSA-N 1 1 194.322 2.799 10 30 AFEEMO C[C@@H]1CCCC[N@H+]1CC1(CS)CC1 87054552 573754118 /nfs/dbraw/zinc/75/41/18/573754118.db2.gz LPFLNCGDNIHZRV-SNVBAGLBSA-N 1 1 199.363 2.571 10 30 AFEEMO SCCC[N@H+]1CCC[C@@H]2CCC[C@H]21 87053738 573753852 /nfs/dbraw/zinc/75/38/52/573753852.db2.gz RFKKPOYRPDJRNU-WDEREUQCSA-N 1 1 199.363 2.571 10 30 AFEEMO C[C@@H]1CCC[N@@H+](C/C=C/CS)[C@@H]1C 87050780 573753884 /nfs/dbraw/zinc/75/38/84/573753884.db2.gz YHZDIDPGWYWLPG-YIZUVKHSSA-N 1 1 199.363 2.593 10 30 AFEEMO C[C@H]1CCCC[N@H+]1CC1(CS)CC1 87054554 573759931 /nfs/dbraw/zinc/75/99/31/573759931.db2.gz LPFLNCGDNIHZRV-JTQLQIEISA-N 1 1 199.363 2.571 10 30 AFEEMO CC[C@@H]1CCCC[N@H+]1CCCS 87056953 573760009 /nfs/dbraw/zinc/76/00/09/573760009.db2.gz RIUJGYNWTDLKKH-SNVBAGLBSA-N 1 1 187.352 2.571 10 30 AFEEMO C[C@H]1CC[C@@H](C)[N@@H+](C/C=C/CS)C1 87076815 573763745 /nfs/dbraw/zinc/76/37/45/573763745.db2.gz LLHCRJHGDLYXCK-MJKAUQOVSA-N 1 1 199.363 2.593 10 30 AFEEMO C[C@H]([N@@H+](C)CCCS)C(C)(C)C 87071785 573763878 /nfs/dbraw/zinc/76/38/78/573763878.db2.gz HMPLLXJHKMLVBI-VIFPVBQESA-N 1 1 189.368 2.673 10 30 AFEEMO CC[C@H](C#N)C[N@@H+](C)CC(C)(C)C 258934078 573770796 /nfs/dbraw/zinc/77/07/96/573770796.db2.gz IARSYMMWTRETDI-SNVBAGLBSA-N 1 1 182.311 2.514 10 30 AFEEMO CC[C@@H](C#N)C[N@@H+](C)CC(C)(C)C 258934077 573770964 /nfs/dbraw/zinc/77/09/64/573770964.db2.gz IARSYMMWTRETDI-JTQLQIEISA-N 1 1 182.311 2.514 10 30 AFEEMO CCCc1[nH+]ccn1CCCCS 87093514 573774589 /nfs/dbraw/zinc/77/45/89/573774589.db2.gz MSGDDVGRAPRIQK-UHFFFAOYSA-N 1 1 198.335 2.546 10 30 AFEEMO CC[C@H](C#N)C[N@@H+](C)CCC1CCC1 258939183 573781767 /nfs/dbraw/zinc/78/17/67/573781767.db2.gz IOGNDUUDLOWONJ-LLVKDONJSA-N 1 1 194.322 2.658 10 30 AFEEMO CCC(CC)[N@@H+]1CCCC[C@@H]1C#N 87157230 573800172 /nfs/dbraw/zinc/80/01/72/573800172.db2.gz MBPOCQDMYUBWQP-LLVKDONJSA-N 1 1 180.295 2.553 10 30 AFEEMO CCC(CC)[N@H+]1CCCC[C@@H]1C#N 87157230 573800178 /nfs/dbraw/zinc/80/01/78/573800178.db2.gz MBPOCQDMYUBWQP-LLVKDONJSA-N 1 1 180.295 2.553 10 30 AFEEMO CCC(CC)[N@@H+]1CCCC[C@H]1C#N 87157232 573802812 /nfs/dbraw/zinc/80/28/12/573802812.db2.gz MBPOCQDMYUBWQP-NSHDSACASA-N 1 1 180.295 2.553 10 30 AFEEMO CCC(CC)[N@H+]1CCCC[C@H]1C#N 87157232 573802819 /nfs/dbraw/zinc/80/28/19/573802819.db2.gz MBPOCQDMYUBWQP-NSHDSACASA-N 1 1 180.295 2.553 10 30 AFEEMO CC(C)[C@H](C#N)C[N@@H+](C)C1CCCC1 258953099 573802684 /nfs/dbraw/zinc/80/26/84/573802684.db2.gz JRYWSRZOWJEWJI-LLVKDONJSA-N 1 1 194.322 2.657 10 30 AFEEMO CC(C)[C@@H](C#N)C[N@@H+](C)C1CCCC1 258953102 573803022 /nfs/dbraw/zinc/80/30/22/573803022.db2.gz JRYWSRZOWJEWJI-NSHDSACASA-N 1 1 194.322 2.657 10 30 AFEEMO CC1(C)CC[C@@H](CC#N)C[N@H+]1C1CC1 259193634 573806275 /nfs/dbraw/zinc/80/62/75/573806275.db2.gz BRGIDOORUKETJA-JTQLQIEISA-N 1 1 192.306 2.553 10 30 AFEEMO CC[C@@H]1[C@H](CC#N)CCC[N@H+]1C1CC1 107234084 573809427 /nfs/dbraw/zinc/80/94/27/573809427.db2.gz AUYDVDBKBRICDK-CMPLNLGQSA-N 1 1 192.306 2.553 10 30 AFEEMO CC(C)[C@H](C#N)[C@@H]([NH3+])c1cccs1 259200712 573812059 /nfs/dbraw/zinc/81/20/59/573812059.db2.gz DLCAPNNODGRHKM-WCBMZHEXSA-N 1 1 194.303 2.544 10 30 AFEEMO CC(C)[C@@H](C#N)[C@@H]([NH3+])c1cccs1 259200703 573812388 /nfs/dbraw/zinc/81/23/88/573812388.db2.gz DLCAPNNODGRHKM-PSASIEDQSA-N 1 1 194.303 2.544 10 30 AFEEMO CC(C)[C@H](C#N)C[N@@H+](C)CC(C)(C)C 258963188 573820788 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/nfs/dbraw/zinc/76/17/33/573761733.db2.gz JFEVBJSZZRCFTR-QWRGUYRKSA-N 1 1 199.363 2.571 10 30 AFEEMO SCC[N@H+]1CCC[C@H]1C1CCCC1 87072905 573762074 /nfs/dbraw/zinc/76/20/74/573762074.db2.gz ZOWNNQCYCYYQCI-NSHDSACASA-N 1 1 199.363 2.571 10 30 AFEEMO C[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/CS)C1 87076813 573762800 /nfs/dbraw/zinc/76/28/00/573762800.db2.gz LLHCRJHGDLYXCK-YIZUVKHSSA-N 1 1 199.363 2.593 10 30 AFEEMO SCC[N@H+]1CCC[C@@H]1C1CCCC1 87072906 573762815 /nfs/dbraw/zinc/76/28/15/573762815.db2.gz ZOWNNQCYCYYQCI-LLVKDONJSA-N 1 1 199.363 2.571 10 30 AFEEMO C[N@@H+](CCS)C1CCCCCC1 87058962 573763014 /nfs/dbraw/zinc/76/30/14/573763014.db2.gz MQKMQCFVSDRLBK-UHFFFAOYSA-N 1 1 187.352 2.571 10 30 AFEEMO CC1(C)CCC[N@H+]1CC1(CS)CC1 87060426 573764570 /nfs/dbraw/zinc/76/45/70/573764570.db2.gz RNMCPOPWVVSZGR-UHFFFAOYSA-N 1 1 199.363 2.571 10 30 AFEEMO C[C@H]1CC[C@H](C)[N@@H+](C/C=C/CS)C1 87076811 573766300 /nfs/dbraw/zinc/76/63/00/573766300.db2.gz LLHCRJHGDLYXCK-SEUFLZDSSA-N 1 1 199.363 2.593 10 30 AFEEMO CC(C)C[N@H+]1CCC[C@@H](C#N)C1(C)C 259179083 573771435 /nfs/dbraw/zinc/77/14/35/573771435.db2.gz BAWYXLKOPONEDC-NSHDSACASA-N 1 1 194.322 2.657 10 30 AFEEMO CC1(C)[C@@H](C#N)CC[N@H+]1C1CCCC1 259567196 573771361 /nfs/dbraw/zinc/77/13/61/573771361.db2.gz YIFRWCWXTBMQQY-SNVBAGLBSA-N 1 1 192.306 2.553 10 30 AFEEMO CC(C)c1[nH+]ccn1C[C@@H](C)CS 87092047 573771576 /nfs/dbraw/zinc/77/15/76/573771576.db2.gz OSJTUSRTTHRQGF-SECBINFHSA-N 1 1 198.335 2.572 10 30 AFEEMO CC#CC[N@H+](CCCC)[C@H](C)CC 308435851 573774094 /nfs/dbraw/zinc/77/40/94/573774094.db2.gz WHDBTNJRAQSVAU-GFCCVEGCSA-N 1 1 181.323 2.910 10 30 AFEEMO CC(C)[N@H+]1C[C@H](CC#N)CCC1(C)C 259187550 573788454 /nfs/dbraw/zinc/78/84/54/573788454.db2.gz BLUAUINRYRCWJA-NSHDSACASA-N 1 1 194.322 2.799 10 30 AFEEMO CC[C@@H](C)[N@@H+](CCC#N)CC(C)C 43419675 573788646 /nfs/dbraw/zinc/78/86/46/573788646.db2.gz HGBPLNYCYDMJEZ-LLVKDONJSA-N 1 1 182.311 2.657 10 30 AFEEMO CC(C)CC[N@@H+](C)C[C@H](C#N)C(C)C 258943910 573789149 /nfs/dbraw/zinc/78/91/49/573789149.db2.gz IZBJTNDWMCCZNR-LBPRGKRZSA-N 1 1 196.338 2.760 10 30 AFEEMO CC(C)[N@H+]1C[C@@H](CC#N)CCC1(C)C 259187547 573789978 /nfs/dbraw/zinc/78/99/78/573789978.db2.gz BLUAUINRYRCWJA-LLVKDONJSA-N 1 1 194.322 2.799 10 30 AFEEMO CC(C)CC[N@@H+](C)C[C@@H](C#N)C(C)C 258943905 573790000 /nfs/dbraw/zinc/79/00/00/573790000.db2.gz IZBJTNDWMCCZNR-GFCCVEGCSA-N 1 1 196.338 2.760 10 30 AFEEMO CC[C@H](C)[N@@H+](CCC#N)CC(C)C 43419677 573790827 /nfs/dbraw/zinc/79/08/27/573790827.db2.gz HGBPLNYCYDMJEZ-NSHDSACASA-N 1 1 182.311 2.657 10 30 AFEEMO C=C(C)C[N@H+](C)CC1(C(F)F)CC1 308440274 573793189 /nfs/dbraw/zinc/79/31/89/573793189.db2.gz YSUHIUGUAFKLEE-UHFFFAOYSA-N 1 1 189.249 2.540 10 30 AFEEMO Cc1cc(C)c(C[NH2+]CS)cc1C 258955704 573808780 /nfs/dbraw/zinc/80/87/80/573808780.db2.gz SBMRXNFTFZHCEJ-UHFFFAOYSA-N 1 1 195.331 2.589 10 30 AFEEMO CC(C)[C@@H](C#N)[C@H]([NH3+])c1cccs1 259200708 573814821 /nfs/dbraw/zinc/81/48/21/573814821.db2.gz DLCAPNNODGRHKM-SCZZXKLOSA-N 1 1 194.303 2.544 10 30 AFEEMO CC(C)[C@H](C#N)[C@H]([NH3+])c1cccs1 259200716 573814865 /nfs/dbraw/zinc/81/48/65/573814865.db2.gz DLCAPNNODGRHKM-WPRPVWTQSA-N 1 1 194.303 2.544 10 30 AFEEMO CCC(CC)[C@@H](C#N)[NH+]1CCCCC1 41049897 573822344 /nfs/dbraw/zinc/82/23/44/573822344.db2.gz YCFUOAYTBIFTGS-GFCCVEGCSA-N 1 1 194.322 2.801 10 30 AFEEMO N#Cc1ccc2[nH]c3cc[nH+]cc3c2c1 259202955 573824189 /nfs/dbraw/zinc/82/41/89/573824189.db2.gz BFMQZPVWRJSCRZ-UHFFFAOYSA-N 1 1 193.209 2.588 10 30 AFEEMO CCCC[C@H](C#N)[NH+]1CCCCCC1 41053505 573828667 /nfs/dbraw/zinc/82/86/67/573828667.db2.gz HPECYOKPPVSGJZ-GFCCVEGCSA-N 1 1 194.322 2.945 10 30 AFEEMO CCCC[N@@H+]([C@@H](C)C#N)[C@@H](C)CC 43522347 573832757 /nfs/dbraw/zinc/83/27/57/573832757.db2.gz KCFOKLRCZTUJQZ-QWRGUYRKSA-N 1 1 182.311 2.799 10 30 AFEEMO CCCC[N@H+]([C@@H](C)C#N)[C@@H](C)CC 43522347 573832762 /nfs/dbraw/zinc/83/27/62/573832762.db2.gz KCFOKLRCZTUJQZ-QWRGUYRKSA-N 1 1 182.311 2.799 10 30 AFEEMO Cc1ccc(C[NH2+]CS)c(C)c1C 258961512 573832859 /nfs/dbraw/zinc/83/28/59/573832859.db2.gz SYPYNFMIGHIREF-UHFFFAOYSA-N 1 1 195.331 2.589 10 30 AFEEMO CC(C)C[NH+](CC(C)C)[C@@H](C)C#N 43522060 573834083 /nfs/dbraw/zinc/83/40/83/573834083.db2.gz HVHPIQMZHZRLSR-NSHDSACASA-N 1 1 182.311 2.512 10 30 AFEEMO CC[C@@H](C#N)[N@H+](CC)C1CCCCC1 43556096 573843682 /nfs/dbraw/zinc/84/36/82/573843682.db2.gz DOHLTONTLJOCIH-NSHDSACASA-N 1 1 194.322 2.943 10 30 AFEEMO CC[C@@H](C#N)[N@@H+](CC)C1CCCCC1 43556096 573843689 /nfs/dbraw/zinc/84/36/89/573843689.db2.gz DOHLTONTLJOCIH-NSHDSACASA-N 1 1 194.322 2.943 10 30 AFEEMO CC[C@H](C#N)[N@H+](CC(C)C)C(C)C 43556765 573843785 /nfs/dbraw/zinc/84/37/85/573843785.db2.gz RPXKSEYSGSUMIO-LLVKDONJSA-N 1 1 182.311 2.655 10 30 AFEEMO CC[C@H](C#N)[N@@H+](CC(C)C)C(C)C 43556765 573843792 /nfs/dbraw/zinc/84/37/92/573843792.db2.gz RPXKSEYSGSUMIO-LLVKDONJSA-N 1 1 182.311 2.655 10 30 AFEEMO CC[C@@H](C#N)[N@H+](CC)C1CCCC1 43556314 573845677 /nfs/dbraw/zinc/84/56/77/573845677.db2.gz RCJASJIBCDCLKD-JTQLQIEISA-N 1 1 180.295 2.553 10 30 AFEEMO CC[C@@H](C#N)[N@@H+](CC)C1CCCC1 43556314 573845679 /nfs/dbraw/zinc/84/56/79/573845679.db2.gz RCJASJIBCDCLKD-JTQLQIEISA-N 1 1 180.295 2.553 10 30 AFEEMO CC(C)CC[N@H+]1C[C@@H](C#N)CC1(C)C 259210068 573844834 /nfs/dbraw/zinc/84/48/34/573844834.db2.gz CNLIQCQXZBJCCQ-LLVKDONJSA-N 1 1 194.322 2.657 10 30 AFEEMO CC[C@H](C#N)[N@H+](CC)C1CCCCC1 43556098 573845700 /nfs/dbraw/zinc/84/57/00/573845700.db2.gz DOHLTONTLJOCIH-LLVKDONJSA-N 1 1 194.322 2.943 10 30 AFEEMO CC[C@H](C#N)[N@@H+](CC)C1CCCCC1 43556098 573845707 /nfs/dbraw/zinc/84/57/07/573845707.db2.gz DOHLTONTLJOCIH-LLVKDONJSA-N 1 1 194.322 2.943 10 30 AFEEMO CC[C@H](C#N)[N@H+](C)[C@@H](C)C(C)(C)C 43556814 573845401 /nfs/dbraw/zinc/84/54/01/573845401.db2.gz ZVABANDMHFBFPA-VHSXEESVSA-N 1 1 182.311 2.655 10 30 AFEEMO CC[C@H](C#N)[N@@H+](C)[C@@H](C)C(C)(C)C 43556814 573845405 /nfs/dbraw/zinc/84/54/05/573845405.db2.gz ZVABANDMHFBFPA-VHSXEESVSA-N 1 1 182.311 2.655 10 30 AFEEMO CC[C@@H](C#N)[N@H+](C)[C@@H](C)C(C)(C)C 43556812 573848545 /nfs/dbraw/zinc/84/85/45/573848545.db2.gz ZVABANDMHFBFPA-UWVGGRQHSA-N 1 1 182.311 2.655 10 30 AFEEMO CC(C)CC[N@H+]1C[C@H](C#N)CC1(C)C 259210075 573848026 /nfs/dbraw/zinc/84/80/26/573848026.db2.gz CNLIQCQXZBJCCQ-NSHDSACASA-N 1 1 194.322 2.657 10 30 AFEEMO CC[C@@H](C#N)[N@@H+](C)[C@@H](C)C(C)(C)C 43556812 573848553 /nfs/dbraw/zinc/84/85/53/573848553.db2.gz ZVABANDMHFBFPA-UWVGGRQHSA-N 1 1 182.311 2.655 10 30 AFEEMO CC[C@H](C#N)[N@H+](CC)C1CCCC1 43556316 573848194 /nfs/dbraw/zinc/84/81/94/573848194.db2.gz RCJASJIBCDCLKD-SNVBAGLBSA-N 1 1 180.295 2.553 10 30 AFEEMO CC[C@H](C#N)[N@@H+](CC)C1CCCC1 43556316 573848200 /nfs/dbraw/zinc/84/82/00/573848200.db2.gz RCJASJIBCDCLKD-SNVBAGLBSA-N 1 1 180.295 2.553 10 30 AFEEMO CC(C)[C@H]1C/C(=[NH+]\CCO)C[C@@H](C)C1 308454270 573852219 /nfs/dbraw/zinc/85/22/19/573852219.db2.gz URSMHRXQQGQBOQ-HDTCZIKISA-N 1 1 197.322 2.512 10 30 AFEEMO CC(C)C[N@H+]1CC[C@H](CC#N)C1(C)C 259212544 573852335 /nfs/dbraw/zinc/85/23/35/573852335.db2.gz COLVGBQRQLHLBV-NSHDSACASA-N 1 1 194.322 2.657 10 30 AFEEMO CCC1(CC)CC[N@@H+](C[C@@H](C)C#N)C1 87254243 573855890 /nfs/dbraw/zinc/85/58/90/573855890.db2.gz SALLEWLXACEDKY-NSHDSACASA-N 1 1 194.322 2.658 10 30 AFEEMO Cc1cccc([C@@H]([NH3+])C(C)(C)C#N)c1 259576616 573863287 /nfs/dbraw/zinc/86/32/87/573863287.db2.gz VWQFBSYVPXKVRU-LLVKDONJSA-N 1 1 188.274 2.545 10 30 AFEEMO CC[C@@H]1CCCC[N@H+]1C/C=C\CS 211626049 573868465 /nfs/dbraw/zinc/86/84/65/573868465.db2.gz KAFDBWBOUOSCOX-ISALQUGTSA-N 1 1 199.363 2.737 10 30 AFEEMO CC[C@@H](C)[N@@H+](CC)C/C=C\CS 211625827 573868549 /nfs/dbraw/zinc/86/85/49/573868549.db2.gz NTGTXAUCQKFHCP-JYESYGNLSA-N 1 1 187.352 2.593 10 30 AFEEMO [NH2+]=CNc1c(Cl)cccc1Cl 238550368 573870847 /nfs/dbraw/zinc/87/08/47/573870847.db2.gz CJOBVDAKXKNCTF-UHFFFAOYSA-N 1 1 189.045 2.612 10 30 AFEEMO CC[C@H]1CCCC[N@H+]1C/C=C\CS 211626130 573868229 /nfs/dbraw/zinc/86/82/29/573868229.db2.gz KAFDBWBOUOSCOX-GZTOBOFZSA-N 1 1 199.363 2.737 10 30 AFEEMO CC[C@H](C)[N@@H+](CC)C/C=C\CS 211625904 573868442 /nfs/dbraw/zinc/86/84/42/573868442.db2.gz NTGTXAUCQKFHCP-GFVADAIESA-N 1 1 187.352 2.593 10 30 AFEEMO CC(C)[C@H]1C/C(=[NH+]/CCO)C[C@@H](C)C1 238161478 573869150 /nfs/dbraw/zinc/86/91/50/573869150.db2.gz URSMHRXQQGQBOQ-MRMLYHJQSA-N 1 1 197.322 2.512 10 30 AFEEMO Cc1ccc([C@H]([NH3+])CC#N)c(C)c1C 258988352 573892639 /nfs/dbraw/zinc/89/26/39/573892639.db2.gz FRAKRNVGRDZXPT-GFCCVEGCSA-N 1 1 188.274 2.525 10 30 AFEEMO C#CCCC[N@H+]1C[C@@H](CC)CC[C@@H]1C 308461906 573906049 /nfs/dbraw/zinc/90/60/49/573906049.db2.gz GKZICPDKRWQIHS-STQMWFEESA-N 1 1 193.334 2.910 10 30 AFEEMO CC(C)C(C#N)([NH2+]CC1CC1)C(C)C 308463171 573917951 /nfs/dbraw/zinc/91/79/51/573917951.db2.gz GZHKSQWTUPBBRU-UHFFFAOYSA-N 1 1 194.322 2.560 10 30 AFEEMO N#C[C@@H](C1CCC1)[NH+]1CCCCCC1 87585776 573959883 /nfs/dbraw/zinc/95/98/83/573959883.db2.gz UWKCLQOEXGRRSH-LBPRGKRZSA-N 1 1 192.306 2.555 10 30 AFEEMO CC(C)=CC[N@@H+](CCC#N)C(C)C 42530597 573964702 /nfs/dbraw/zinc/96/47/02/573964702.db2.gz CCSWOELXJJUAPE-UHFFFAOYSA-N 1 1 180.295 2.577 10 30 AFEEMO CC(C)=CC[N@H+](CCC#N)C(C)C 42530597 573964704 /nfs/dbraw/zinc/96/47/04/573964704.db2.gz CCSWOELXJJUAPE-UHFFFAOYSA-N 1 1 180.295 2.577 10 30 AFEEMO CC(C)[N@@H+](CCC#N)CC1CCCC1 42530795 573966952 /nfs/dbraw/zinc/96/69/52/573966952.db2.gz JCLWWBPQZXFGKS-UHFFFAOYSA-N 1 1 194.322 2.801 10 30 AFEEMO CC[C@H](C#N)[C@@H]([NH3+])c1ccc(C)cc1 259590001 573970790 /nfs/dbraw/zinc/97/07/90/573970790.db2.gz WPGPKKLTJFTCEI-ZYHUDNBSSA-N 1 1 188.274 2.545 10 30 AFEEMO C=CCNC1=[NH+]C(C)(C)C=C(C)S1 238224038 573980985 /nfs/dbraw/zinc/98/09/85/573980985.db2.gz LVNNTMLJNAGEHC-UHFFFAOYSA-N 1 1 196.319 2.547 10 30 AFEEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H](C)CC#N 42582617 573981791 /nfs/dbraw/zinc/98/17/91/573981791.db2.gz FDQGVXGQSMQJSD-QWRGUYRKSA-N 1 1 182.311 2.655 10 30 AFEEMO CC(C)C[N@@H+](C(C)C)[C@H](C)CC#N 42582843 573981824 /nfs/dbraw/zinc/98/18/24/573981824.db2.gz NGUKGIUYQNGIOD-LLVKDONJSA-N 1 1 182.311 2.655 10 30 AFEEMO N#CC[C@@H]([NH3+])c1ccccc1C(F)F 104476591 573999977 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/nfs/dbraw/zinc/27/85/22/583278522.db2.gz SFLXZYXVOOKLAN-UHFFFAOYSA-N 1 1 191.318 2.520 10 30 AFEEMO C=CC[C@@H]1CC[N@H+](C/C=C/Cl)C1 859443933 583279177 /nfs/dbraw/zinc/27/91/77/583279177.db2.gz XVGLJHPEPLYRJX-QLCVYAKKSA-N 1 1 185.698 2.637 10 30 AFEEMO C=CC[C@H]1CC[N@H+](C/C=C\Cl)C1 859443932 583279188 /nfs/dbraw/zinc/27/91/88/583279188.db2.gz XVGLJHPEPLYRJX-NWPZZWLHSA-N 1 1 185.698 2.637 10 30 AFEEMO C=CC[C@H]1CC[N@H+](CC(=C)Cl)C1 859444065 583279539 /nfs/dbraw/zinc/27/95/39/583279539.db2.gz BKVAGZDTLWSJRQ-JTQLQIEISA-N 1 1 185.698 2.637 10 30 AFEEMO C=CC[C@@H]1CC[N@H+](C/C=C\Cl)C1 859443934 583279726 /nfs/dbraw/zinc/27/97/26/583279726.db2.gz XVGLJHPEPLYRJX-XICOKMJESA-N 1 1 185.698 2.637 10 30 AFEEMO C=CC[C@@H]1CC[N@H+](CC(=C)Cl)C1 859444066 583279783 /nfs/dbraw/zinc/27/97/83/583279783.db2.gz BKVAGZDTLWSJRQ-SNVBAGLBSA-N 1 1 185.698 2.637 10 30 AFEEMO C=CC[C@H]1CC[N@H+](C/C=C/Cl)C1 859443935 583279961 /nfs/dbraw/zinc/27/99/61/583279961.db2.gz XVGLJHPEPLYRJX-YVGDHZEHSA-N 1 1 185.698 2.637 10 30 AFEEMO C#CCC[N@@H+]1CCC[C@H](C/C=C\C)C1 860183477 583284070 /nfs/dbraw/zinc/28/40/70/583284070.db2.gz JFFPLVDJCKZFMQ-DXTPNHAXSA-N 1 1 191.318 2.688 10 30 AFEEMO C#CCC[N@@H+]1CCC[C@H](C/C=C/C)C1 860183479 583284073 /nfs/dbraw/zinc/28/40/73/583284073.db2.gz JFFPLVDJCKZFMQ-LQPUYASZSA-N 1 1 191.318 2.688 10 30 AFEEMO C#CCC[N@@H+]1CCC[C@@H](C/C=C\C)C1 860183478 583284143 /nfs/dbraw/zinc/28/41/43/583284143.db2.gz JFFPLVDJCKZFMQ-HSBHDXMMSA-N 1 1 191.318 2.688 10 30 AFEEMO C#CCC[N@@H+]1CCC[C@@H](C/C=C/C)C1 860183480 583284147 /nfs/dbraw/zinc/28/41/47/583284147.db2.gz JFFPLVDJCKZFMQ-MASHWEEQSA-N 1 1 191.318 2.688 10 30 AFEEMO C#CC[C@@H]1CC[N@H+](C[C@H](C)CCC)C1 862444787 583298877 /nfs/dbraw/zinc/29/88/77/583298877.db2.gz HBRAJNWXAAMMOK-CHWSQXEVSA-N 1 1 193.334 2.768 10 30 AFEEMO C#CC[C@@H]1CC[N@H+](CCCC(C)C)C1 862444874 583298911 /nfs/dbraw/zinc/29/89/11/583298911.db2.gz HXCYKCYIJXXWRR-CYBMUJFWSA-N 1 1 193.334 2.768 10 30 AFEEMO C#CC[C@@H]1CC[N@H+](CC(CC)CC)C1 862445150 583298923 /nfs/dbraw/zinc/29/89/23/583298923.db2.gz NDAYATWUONTTAA-CYBMUJFWSA-N 1 1 193.334 2.768 10 30 AFEEMO C#CC[C@H]1CC[N@H+](CCCC(C)C)C1 862444875 583299092 /nfs/dbraw/zinc/29/90/92/583299092.db2.gz HXCYKCYIJXXWRR-ZDUSSCGKSA-N 1 1 193.334 2.768 10 30 AFEEMO C#CC[C@H]1CC[N@H+](CC(CC)CC)C1 862445151 583299181 /nfs/dbraw/zinc/29/91/81/583299181.db2.gz NDAYATWUONTTAA-ZDUSSCGKSA-N 1 1 193.334 2.768 10 30 AFEEMO C#CC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 862442193 583299199 /nfs/dbraw/zinc/29/91/99/583299199.db2.gz BEOBKWIXWKYVNI-CYBMUJFWSA-N 1 1 199.297 2.532 10 30 AFEEMO C#CC[C@H]1CC[N@@H+](Cc2ccccc2)C1 862442194 583299201 /nfs/dbraw/zinc/29/92/01/583299201.db2.gz BEOBKWIXWKYVNI-ZDUSSCGKSA-N 1 1 199.297 2.532 10 30 AFEEMO C#CC[C@H]1CC[N@H+](C[C@H](C)CCC)C1 862444791 583299203 /nfs/dbraw/zinc/29/92/03/583299203.db2.gz HBRAJNWXAAMMOK-OLZOCXBDSA-N 1 1 193.334 2.768 10 30 AFEEMO C#CC[C@H]1CC[N@@H+](CC2CCCC2)C1 862444554 583299250 /nfs/dbraw/zinc/29/92/50/583299250.db2.gz BWCHCWLRUUBUBA-LBPRGKRZSA-N 1 1 191.318 2.522 10 30 AFEEMO C#CC[C@@H]1CC[N@H+](C[C@@H](C)CCC)C1 862444793 583299453 /nfs/dbraw/zinc/29/94/53/583299453.db2.gz HBRAJNWXAAMMOK-QWHCGFSZSA-N 1 1 193.334 2.768 10 30 AFEEMO C#CC[C@@H]1CC[N@H+](CCC(C)(C)C)C1 862445308 583299506 /nfs/dbraw/zinc/29/95/06/583299506.db2.gz QGWBEALPVXNXGZ-GFCCVEGCSA-N 1 1 193.334 2.768 10 30 AFEEMO C#CC[C@@H]1CC[N@@H+](CC2CCCC2)C1 862444552 583299539 /nfs/dbraw/zinc/29/95/39/583299539.db2.gz BWCHCWLRUUBUBA-GFCCVEGCSA-N 1 1 191.318 2.522 10 30 AFEEMO C=CC[C@@H]1CC[N@@H+](Cc2ccoc2)C1 862442050 583299556 /nfs/dbraw/zinc/29/95/56/583299556.db2.gz XONHOMDGJFCVLG-LLVKDONJSA-N 1 1 191.274 2.678 10 30 AFEEMO C#CC[C@H]1CC[N@H+](CCC(C)(C)C)C1 862445309 583299589 /nfs/dbraw/zinc/29/95/89/583299589.db2.gz QGWBEALPVXNXGZ-LBPRGKRZSA-N 1 1 193.334 2.768 10 30 AFEEMO C#CC[C@H]1CC[N@H+](C[C@@H](C)CCC)C1 862444795 583299607 /nfs/dbraw/zinc/29/96/07/583299607.db2.gz HBRAJNWXAAMMOK-STQMWFEESA-N 1 1 193.334 2.768 10 30 AFEEMO C=CC[C@H]1CC[N@@H+](Cc2ccoc2)C1 862442052 583299622 /nfs/dbraw/zinc/29/96/22/583299622.db2.gz XONHOMDGJFCVLG-NSHDSACASA-N 1 1 191.274 2.678 10 30 AFEEMO C#CC[C@H]1CC[N@H+](CC2(C)CCC2)C1 862445695 583299986 /nfs/dbraw/zinc/29/99/86/583299986.db2.gz ZRQKGZNZBDBFLA-LBPRGKRZSA-N 1 1 191.318 2.522 10 30 AFEEMO C#CC[C@@H]1CC[N@H+](CC2(C)CCC2)C1 862445694 583300004 /nfs/dbraw/zinc/30/00/04/583300004.db2.gz ZRQKGZNZBDBFLA-GFCCVEGCSA-N 1 1 191.318 2.522 10 30 AFEEMO C=CCCC(CCC)=[NH+]n1cccn1 863163664 583305260 /nfs/dbraw/zinc/30/52/60/583305260.db2.gz LQTUBBIEDXFMEX-UHFFFAOYSA-N 1 1 191.278 2.854 10 30 AFEEMO CC1(C)CCC(=[NH+]n2cccn2)CC1 863166343 583305534 /nfs/dbraw/zinc/30/55/34/583305534.db2.gz XXWVDKJSCHGTTF-UHFFFAOYSA-N 1 1 191.278 2.687 10 30 AFEEMO CC(CCCC(C)C)=[NH+]n1cccn1 863164991 583305576 /nfs/dbraw/zinc/30/55/76/583305576.db2.gz YHVJATYQDRVCFD-UHFFFAOYSA-N 1 1 193.294 2.933 10 30 AFEEMO CC(C)(C)[C@@H]1CCC1=[NH+]n1cccn1 863163789 583305661 /nfs/dbraw/zinc/30/56/61/583305661.db2.gz PLDKLJFXYMFCGL-SECBINFHSA-N 1 1 191.278 2.543 10 30 AFEEMO CC(CC(C)(C)C)=[NH+]n1cccn1 863163755 583305740 /nfs/dbraw/zinc/30/57/40/583305740.db2.gz OHWKMSZOACIXQO-UHFFFAOYSA-N 1 1 179.267 2.543 10 30 AFEEMO C[C@H]1CC(=[NH+]n2cccn2)CC[C@H]1C 863164156 583306143 /nfs/dbraw/zinc/30/61/43/583306143.db2.gz CPHBGGLSEMMFJW-ZJUUUORDSA-N 1 1 191.278 2.543 10 30 AFEEMO CC(=[NH+]n1cccn1)C1CCCCC1 863166410 583306222 /nfs/dbraw/zinc/30/62/22/583306222.db2.gz ZHROVUNOUUENMR-UHFFFAOYSA-N 1 1 191.278 2.687 10 30 AFEEMO C[C@H]1CCC(=[NH+]n2cccn2)C[C@@H]1C 863164154 583306232 /nfs/dbraw/zinc/30/62/32/583306232.db2.gz CPHBGGLSEMMFJW-UWVGGRQHSA-N 1 1 191.278 2.543 10 30 AFEEMO C[C@@H]1CCCC[C@@H]1C=[NH+]n1cccn1 863165033 583306255 /nfs/dbraw/zinc/30/62/55/583306255.db2.gz ZIOABDYBVCGRHU-GHMZBOCLSA-N 1 1 191.278 2.543 10 30 AFEEMO C[C@H]1CCC(=[NH+]n2cccn2)C[C@H]1C 863164155 583306292 /nfs/dbraw/zinc/30/62/92/583306292.db2.gz CPHBGGLSEMMFJW-VHSXEESVSA-N 1 1 191.278 2.543 10 30 AFEEMO C[C@@H]1CCC(=[NH+]n2cccn2)C[C@H]1C 863164153 583306370 /nfs/dbraw/zinc/30/63/70/583306370.db2.gz CPHBGGLSEMMFJW-NXEZZACHSA-N 1 1 191.278 2.543 10 30 AFEEMO CCCC(CCC)=[NH+]n1cccn1 863165770 583306408 /nfs/dbraw/zinc/30/64/08/583306408.db2.gz NPKAHUWBOXNDOV-UHFFFAOYSA-N 1 1 179.267 2.687 10 30 AFEEMO CC[C@@H]1CCCC(=[NH+]n2cccn2)C1 863166092 583306495 /nfs/dbraw/zinc/30/64/95/583306495.db2.gz SSZNZUZATMYTRM-SNVBAGLBSA-N 1 1 191.278 2.687 10 30 AFEEMO CC(C)=CCCC(C)=[NH+]n1cccn1 863164600 583306528 /nfs/dbraw/zinc/30/65/28/583306528.db2.gz PJOYNKPBEBVELA-UHFFFAOYSA-N 1 1 191.278 2.854 10 30 AFEEMO CCC(C[C@H](C)CC)=[NH+]n1cccn1 863165605 583306535 /nfs/dbraw/zinc/30/65/35/583306535.db2.gz HHFRMAUDONRKDP-SNVBAGLBSA-N 1 1 193.294 2.933 10 30 AFEEMO C[C@H]1CCCC[C@@H]1C=[NH+]n1cccn1 863165037 583306548 /nfs/dbraw/zinc/30/65/48/583306548.db2.gz ZIOABDYBVCGRHU-WDEREUQCSA-N 1 1 191.278 2.543 10 30 AFEEMO CCCCC(CC)=[NH+]n1cccn1 863166336 583306559 /nfs/dbraw/zinc/30/65/59/583306559.db2.gz XWBNKMYQUXXPKU-UHFFFAOYSA-N 1 1 179.267 2.687 10 30 AFEEMO CC1(C)CCCC(=[NH+]n2cccn2)C1 863165051 583306576 /nfs/dbraw/zinc/30/65/76/583306576.db2.gz ZLKDPMIGAKWPTD-UHFFFAOYSA-N 1 1 191.278 2.687 10 30 AFEEMO C[C@@H]1CCCC[C@H]1C=[NH+]n1cccn1 863165034 583306612 /nfs/dbraw/zinc/30/66/12/583306612.db2.gz ZIOABDYBVCGRHU-MNOVXSKESA-N 1 1 191.278 2.543 10 30 AFEEMO CC(CC1CCCC1)=[NH+]n1cccn1 863164301 583306450 /nfs/dbraw/zinc/30/64/50/583306450.db2.gz FTALLIALNSCFQL-UHFFFAOYSA-N 1 1 191.278 2.687 10 30 AFEEMO c1cnn([NH+]=C2CCCCCCC2)c1 863165506 583306623 /nfs/dbraw/zinc/30/66/23/583306623.db2.gz CARARYKWRNTISE-UHFFFAOYSA-N 1 1 191.278 2.832 10 30 AFEEMO C[C@@H]1CC(=[NH+]n2cccn2)C[C@@H](C)C1 863164391 583306626 /nfs/dbraw/zinc/30/66/26/583306626.db2.gz IOUMHJKIOSWVGK-UWVGGRQHSA-N 1 1 191.278 2.543 10 30 AFEEMO CCCCCC(C)=[NH+]n1cccn1 863165850 583306665 /nfs/dbraw/zinc/30/66/65/583306665.db2.gz OUWXLCODWRAEME-UHFFFAOYSA-N 1 1 179.267 2.687 10 30 AFEEMO CC[C@H]1CCCC(=[NH+]n2cccn2)C1 863166091 583306692 /nfs/dbraw/zinc/30/66/92/583306692.db2.gz SSZNZUZATMYTRM-JTQLQIEISA-N 1 1 191.278 2.687 10 30 AFEEMO C[C@@H]1CC(=[NH+]n2cccn2)C[C@H](C)C1 863164389 583306697 /nfs/dbraw/zinc/30/66/97/583306697.db2.gz IOUMHJKIOSWVGK-AOOOYVTPSA-N 1 1 191.278 2.543 10 30 AFEEMO C[C@H]1CC(=[NH+]n2cccn2)C[C@H](C)C1 863164390 583306701 /nfs/dbraw/zinc/30/67/01/583306701.db2.gz IOUMHJKIOSWVGK-NXEZZACHSA-N 1 1 191.278 2.543 10 30 AFEEMO C[C@H]1CCCC[C@H]1C=[NH+]n1cccn1 863165036 583306801 /nfs/dbraw/zinc/30/68/01/583306801.db2.gz ZIOABDYBVCGRHU-QWRGUYRKSA-N 1 1 191.278 2.543 10 30 AFEEMO CC(C)(C)[C@H]1CCC1=[NH+]n1cccn1 863163790 583306923 /nfs/dbraw/zinc/30/69/23/583306923.db2.gz PLDKLJFXYMFCGL-VIFPVBQESA-N 1 1 191.278 2.543 10 30 AFEEMO CCC(C[C@@H](C)CC)=[NH+]n1cccn1 863165604 583306927 /nfs/dbraw/zinc/30/69/27/583306927.db2.gz HHFRMAUDONRKDP-JTQLQIEISA-N 1 1 193.294 2.933 10 30 AFEEMO C#CCCCCCC[N@H+](C)CC1CC1 876622046 583387818 /nfs/dbraw/zinc/38/78/18/583387818.db2.gz AQZDOPOUGKKEOX-UHFFFAOYSA-N 1 1 193.334 2.912 10 30 AFEEMO C#CCCCCCC[N@H+](C)CCC 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