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/nfs/dbraw/zinc/24/51/00/343245100.db2.gz YOCNUSVGUXRGSC-UHFFFAOYSA-N 1 2 180.295 2.411 20 30 AEEDLO CC[C@H]1CCCC[C@H]1[NH2+]CC#N 42579561 343247736 /nfs/dbraw/zinc/24/77/36/343247736.db2.gz KPVONXIQGTZWEG-VHSXEESVSA-N 1 2 166.268 2.068 20 30 AEEDLO CC[C@H]1CCCC[C@@H]1[NH2+]CC#N 42579556 343247776 /nfs/dbraw/zinc/24/77/76/343247776.db2.gz KPVONXIQGTZWEG-UWVGGRQHSA-N 1 2 166.268 2.068 20 30 AEEDLO CC[C@@H]1CCCC[C@@H]1[NH2+]CC#N 42579553 343247953 /nfs/dbraw/zinc/24/79/53/343247953.db2.gz KPVONXIQGTZWEG-ZJUUUORDSA-N 1 2 166.268 2.068 20 30 AEEDLO CC[C@@H]1CCCC[C@H]1[NH2+]CC#N 42579559 343247988 /nfs/dbraw/zinc/24/79/88/343247988.db2.gz KPVONXIQGTZWEG-NXEZZACHSA-N 1 2 166.268 2.068 20 30 AEEDLO CCCC[N@H+](CC)[C@H](C)C#N 43521857 343253897 /nfs/dbraw/zinc/25/38/97/343253897.db2.gz OQULNMPLKZOTRV-SECBINFHSA-N 1 2 154.257 2.020 20 30 AEEDLO CCCC[N@@H+](CC)[C@H](C)C#N 43521857 343253898 /nfs/dbraw/zinc/25/38/98/343253898.db2.gz OQULNMPLKZOTRV-SECBINFHSA-N 1 2 154.257 2.020 20 30 AEEDLO CCCC[N@H+](CC)[C@@H](C)C#N 43521855 343254007 /nfs/dbraw/zinc/25/40/07/343254007.db2.gz OQULNMPLKZOTRV-VIFPVBQESA-N 1 2 154.257 2.020 20 30 AEEDLO CCCC[N@@H+](CC)[C@@H](C)C#N 43521855 343254009 /nfs/dbraw/zinc/25/40/09/343254009.db2.gz OQULNMPLKZOTRV-VIFPVBQESA-N 1 2 154.257 2.020 20 30 AEEDLO CCCC[N@@H+](C1CC1)[C@@H](C)C#N 43522151 343254340 /nfs/dbraw/zinc/25/43/40/343254340.db2.gz QFXONFACRNOMSP-VIFPVBQESA-N 1 2 166.268 2.163 20 30 AEEDLO CCCC[N@H+](C1CC1)[C@@H](C)C#N 43522151 343254343 /nfs/dbraw/zinc/25/43/43/343254343.db2.gz QFXONFACRNOMSP-VIFPVBQESA-N 1 2 166.268 2.163 20 30 AEEDLO CCCC[N@@H+](C1CC1)[C@H](C)C#N 43522153 343254540 /nfs/dbraw/zinc/25/45/40/343254540.db2.gz QFXONFACRNOMSP-SECBINFHSA-N 1 2 166.268 2.163 20 30 AEEDLO CCCC[N@H+](C1CC1)[C@H](C)C#N 43522153 343254543 /nfs/dbraw/zinc/25/45/43/343254543.db2.gz QFXONFACRNOMSP-SECBINFHSA-N 1 2 166.268 2.163 20 30 AEEDLO CC[N@H+](CC#N)CC1CCCCC1 45061177 343270914 /nfs/dbraw/zinc/27/09/14/343270914.db2.gz LHVPKGSLYCBVQL-UHFFFAOYSA-N 1 2 180.295 2.412 20 30 AEEDLO CC[N@@H+](CC#N)CC1CCCCC1 45061177 343270917 /nfs/dbraw/zinc/27/09/17/343270917.db2.gz LHVPKGSLYCBVQL-UHFFFAOYSA-N 1 2 180.295 2.412 20 30 AEEDLO C[C@H]1CCCC[C@H]1[N@H+](C)CC#N 47848376 343273537 /nfs/dbraw/zinc/27/35/37/343273537.db2.gz LKCPJCSSYRDWHS-VHSXEESVSA-N 1 2 166.268 2.020 20 30 AEEDLO C[C@H]1CCCC[C@H]1[N@@H+](C)CC#N 47848376 343273539 /nfs/dbraw/zinc/27/35/39/343273539.db2.gz LKCPJCSSYRDWHS-VHSXEESVSA-N 1 2 166.268 2.020 20 30 AEEDLO C[C@H](CC#N)[N@H+](C)Cc1cccs1 48246788 343273949 /nfs/dbraw/zinc/27/39/49/343273949.db2.gz LOZZSNYOVXTHSN-SECBINFHSA-N 1 2 194.303 2.482 20 30 AEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccs1 48246788 343273951 /nfs/dbraw/zinc/27/39/51/343273951.db2.gz LOZZSNYOVXTHSN-SECBINFHSA-N 1 2 194.303 2.482 20 30 AEEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)o1 48246780 343274071 /nfs/dbraw/zinc/27/40/71/343274071.db2.gz YIPLLKMGEALCHD-VIFPVBQESA-N 1 2 192.262 2.322 20 30 AEEDLO Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)o1 48246780 343274074 /nfs/dbraw/zinc/27/40/74/343274074.db2.gz YIPLLKMGEALCHD-VIFPVBQESA-N 1 2 192.262 2.322 20 30 AEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccs1 48246785 343274199 /nfs/dbraw/zinc/27/41/99/343274199.db2.gz LOZZSNYOVXTHSN-VIFPVBQESA-N 1 2 194.303 2.482 20 30 AEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccs1 48246785 343274202 /nfs/dbraw/zinc/27/42/02/343274202.db2.gz LOZZSNYOVXTHSN-VIFPVBQESA-N 1 2 194.303 2.482 20 30 AEEDLO Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)o1 48246782 343274218 /nfs/dbraw/zinc/27/42/18/343274218.db2.gz YIPLLKMGEALCHD-SECBINFHSA-N 1 2 192.262 2.322 20 30 AEEDLO Cc1ccc(C[N@H+](C)[C@H](C)CC#N)o1 48246782 343274220 /nfs/dbraw/zinc/27/42/20/343274220.db2.gz YIPLLKMGEALCHD-SECBINFHSA-N 1 2 192.262 2.322 20 30 AEEDLO C[N@@H+](CC#N)CCC1=CCCCC1 49805461 343277015 /nfs/dbraw/zinc/27/70/15/343277015.db2.gz IQFUTTBZKFFWIC-UHFFFAOYSA-N 1 2 178.279 2.332 20 30 AEEDLO C[N@H+](CC#N)CCC1=CCCCC1 49805461 343277017 /nfs/dbraw/zinc/27/70/17/343277017.db2.gz IQFUTTBZKFFWIC-UHFFFAOYSA-N 1 2 178.279 2.332 20 30 AEEDLO C[C@H]([NH2+]CC#N)C1CCCCC1 52338085 343305994 /nfs/dbraw/zinc/30/59/94/343305994.db2.gz OSOVVIMVSBFFEN-VIFPVBQESA-N 1 2 166.268 2.068 20 30 AEEDLO CC[C@@H]([NH2+]CC#N)C1CCCCC1 52339873 343306168 /nfs/dbraw/zinc/30/61/68/343306168.db2.gz XDLBHADWNLALOX-LLVKDONJSA-N 1 2 180.295 2.458 20 30 AEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C)o1 53037620 343312485 /nfs/dbraw/zinc/31/24/85/343312485.db2.gz IZXFWWHJTCNMQJ-JTQLQIEISA-N 1 2 192.262 2.370 20 30 AEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C)o1 53037623 343312604 /nfs/dbraw/zinc/31/26/04/343312604.db2.gz IZXFWWHJTCNMQJ-SNVBAGLBSA-N 1 2 192.262 2.370 20 30 AEEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Cl)o1 54180632 343319755 /nfs/dbraw/zinc/31/97/55/343319755.db2.gz OQGCHOXCDJBCFW-SSDOTTSWSA-N 1 2 198.653 2.182 20 30 AEEDLO CCc1ccc(C[NH2+]C[C@@H](C)C#N)o1 54181524 343320095 /nfs/dbraw/zinc/32/00/95/343320095.db2.gz NFDZFFQJZXQHFI-VIFPVBQESA-N 1 2 192.262 2.091 20 30 AEEDLO CCC1(C)CC[NH+](CC#N)CC1 60941630 343354425 /nfs/dbraw/zinc/35/44/25/343354425.db2.gz RXDPQRQADVYKOR-UHFFFAOYSA-N 1 2 166.268 2.022 20 30 AEEDLO CC[N@H+](CCC#N)CCC(F)(F)F 70212676 343479395 /nfs/dbraw/zinc/47/93/95/343479395.db2.gz LGYCYOKDGUYJBO-UHFFFAOYSA-N 1 2 194.200 2.174 20 30 AEEDLO CC[N@@H+](CCC#N)CCC(F)(F)F 70212676 343479398 /nfs/dbraw/zinc/47/93/98/343479398.db2.gz LGYCYOKDGUYJBO-UHFFFAOYSA-N 1 2 194.200 2.174 20 30 AEEDLO CC(C)[C@H]1CCC[N@H+](CC#N)CC1 70559839 343490707 /nfs/dbraw/zinc/49/07/07/343490707.db2.gz RIIXCMJGKYNOPD-NSHDSACASA-N 1 2 180.295 2.268 20 30 AEEDLO CC(C)[C@H]1CCC[N@@H+](CC#N)CC1 70559839 343490709 /nfs/dbraw/zinc/49/07/09/343490709.db2.gz RIIXCMJGKYNOPD-NSHDSACASA-N 1 2 180.295 2.268 20 30 AEEDLO CC(C)[C@@H]1CCC[N@H+](CC#N)CC1 70559838 343490809 /nfs/dbraw/zinc/49/08/09/343490809.db2.gz RIIXCMJGKYNOPD-LLVKDONJSA-N 1 2 180.295 2.268 20 30 AEEDLO CC[C@@H]1CCC[N@H+](CC#N)CC1 70609738 343501680 /nfs/dbraw/zinc/50/16/80/343501680.db2.gz OEZXJYAMQVPVLV-SNVBAGLBSA-N 1 2 166.268 2.022 20 30 AEEDLO CC[C@@H]1CCC[N@@H+](CC#N)CC1 70609738 343501683 /nfs/dbraw/zinc/50/16/83/343501683.db2.gz OEZXJYAMQVPVLV-SNVBAGLBSA-N 1 2 166.268 2.022 20 30 AEEDLO CC[C@H]1CCC[N@H+](CC#N)CC1 70609739 343501883 /nfs/dbraw/zinc/50/18/83/343501883.db2.gz OEZXJYAMQVPVLV-JTQLQIEISA-N 1 2 166.268 2.022 20 30 AEEDLO CC[C@H]1CCC[N@@H+](CC#N)CC1 70609739 343501886 /nfs/dbraw/zinc/50/18/86/343501886.db2.gz OEZXJYAMQVPVLV-JTQLQIEISA-N 1 2 166.268 2.022 20 30 AEEDLO Cc1csc([C@H](C)[NH2+]CCC#N)n1 70634667 343511160 /nfs/dbraw/zinc/51/11/60/343511160.db2.gz JRIDYVUUZDZDLI-QMMMGPOBSA-N 1 2 195.291 2.016 20 30 AEEDLO Cc1csc([C@@H](C)[NH2+]CCC#N)n1 70634666 343511436 /nfs/dbraw/zinc/51/14/36/343511436.db2.gz JRIDYVUUZDZDLI-MRVPVSSYSA-N 1 2 195.291 2.016 20 30 AEEDLO C[C@@H](CC#N)[N@H+](C)CCC(F)(F)F 70650044 343518253 /nfs/dbraw/zinc/51/82/53/343518253.db2.gz BNYCVZIPGBDJJV-ZETCQYMHSA-N 1 2 194.200 2.173 20 30 AEEDLO C[C@@H](CC#N)[N@@H+](C)CCC(F)(F)F 70650044 343518257 /nfs/dbraw/zinc/51/82/57/343518257.db2.gz BNYCVZIPGBDJJV-ZETCQYMHSA-N 1 2 194.200 2.173 20 30 AEEDLO C[C@H](CC#N)[N@H+](C)CCC(F)(F)F 70650045 343518413 /nfs/dbraw/zinc/51/84/13/343518413.db2.gz BNYCVZIPGBDJJV-SSDOTTSWSA-N 1 2 194.200 2.173 20 30 AEEDLO C[C@H](CC#N)[N@@H+](C)CCC(F)(F)F 70650045 343518416 /nfs/dbraw/zinc/51/84/16/343518416.db2.gz BNYCVZIPGBDJJV-SSDOTTSWSA-N 1 2 194.200 2.173 20 30 AEEDLO C[C@H](C#N)C[N@H+](C)CCC(F)(F)F 70913400 343541308 /nfs/dbraw/zinc/54/13/08/343541308.db2.gz LKDOSWPLKDMFSD-SSDOTTSWSA-N 1 2 194.200 2.030 20 30 AEEDLO C[C@H](C#N)C[N@@H+](C)CCC(F)(F)F 70913400 343541311 /nfs/dbraw/zinc/54/13/11/343541311.db2.gz LKDOSWPLKDMFSD-SSDOTTSWSA-N 1 2 194.200 2.030 20 30 AEEDLO C[C@@H](C#N)C[N@H+](C)CCC(F)(F)F 70913403 343541589 /nfs/dbraw/zinc/54/15/89/343541589.db2.gz LKDOSWPLKDMFSD-ZETCQYMHSA-N 1 2 194.200 2.030 20 30 AEEDLO C[C@@H](C#N)C[N@@H+](C)CCC(F)(F)F 70913403 343541590 /nfs/dbraw/zinc/54/15/90/343541590.db2.gz LKDOSWPLKDMFSD-ZETCQYMHSA-N 1 2 194.200 2.030 20 30 AEEDLO CCC(CC)(CC)[NH2+]CC#N 83388006 343619446 /nfs/dbraw/zinc/61/94/46/343619446.db2.gz IYWPZRBSUIRUJO-UHFFFAOYSA-N 1 2 154.257 2.068 20 30 AEEDLO C[C@@H](C#N)C[N@H+](C)CCC(C)(C)C#N 83638981 343622068 /nfs/dbraw/zinc/62/20/68/343622068.db2.gz HOBKGXHIKGZQIB-JTQLQIEISA-N 1 2 193.294 2.018 20 30 AEEDLO C[C@@H](C#N)C[N@@H+](C)CCC(C)(C)C#N 83638981 343622069 /nfs/dbraw/zinc/62/20/69/343622069.db2.gz HOBKGXHIKGZQIB-JTQLQIEISA-N 1 2 193.294 2.018 20 30 AEEDLO CC[N@H+](CCC#N)CCC(C)(C)C#N 83638979 343622084 /nfs/dbraw/zinc/62/20/84/343622084.db2.gz GWMZSBGINBYNHA-UHFFFAOYSA-N 1 2 193.294 2.162 20 30 AEEDLO CC[N@@H+](CCC#N)CCC(C)(C)C#N 83638979 343622086 /nfs/dbraw/zinc/62/20/86/343622086.db2.gz GWMZSBGINBYNHA-UHFFFAOYSA-N 1 2 193.294 2.162 20 30 AEEDLO CC(C)(C#N)CCCn1cc[nH+]c1 83642224 343622327 /nfs/dbraw/zinc/62/23/27/343622327.db2.gz POBWCMFXDBKASL-UHFFFAOYSA-N 1 2 177.251 2.213 20 30 AEEDLO C[C@@H](CC#N)[N@H+](C)CCC(C)(C)C#N 83638987 343622543 /nfs/dbraw/zinc/62/25/43/343622543.db2.gz JURNZVGRDNJDPV-JTQLQIEISA-N 1 2 193.294 2.160 20 30 AEEDLO CC(C)[N@H+](CC#N)CC1CCC1 83838990 343625799 /nfs/dbraw/zinc/62/57/99/343625799.db2.gz XUFXKMSROLPYPY-UHFFFAOYSA-N 1 2 166.268 2.020 20 30 AEEDLO CC(C)[N@@H+](CC#N)CC1CCC1 83838990 343625802 /nfs/dbraw/zinc/62/58/02/343625802.db2.gz XUFXKMSROLPYPY-UHFFFAOYSA-N 1 2 166.268 2.020 20 30 AEEDLO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C#N 86437657 343652037 /nfs/dbraw/zinc/65/20/37/343652037.db2.gz OHKRRNODGOURRZ-ZJUUUORDSA-N 1 2 168.284 2.266 20 30 AEEDLO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C#N 86437657 343652038 /nfs/dbraw/zinc/65/20/38/343652038.db2.gz OHKRRNODGOURRZ-ZJUUUORDSA-N 1 2 168.284 2.266 20 30 AEEDLO CCC1(CC)C[NH+](CCC#N)C1 86681357 343654099 /nfs/dbraw/zinc/65/40/99/343654099.db2.gz SLHCNPGVRHILDB-UHFFFAOYSA-N 1 2 166.268 2.022 20 30 AEEDLO CC1(C)CCCC[C@@H]1[NH2+]CC#N 86875270 343656663 /nfs/dbraw/zinc/65/66/63/343656663.db2.gz HXADCOMKJULUPY-VIFPVBQESA-N 1 2 166.268 2.068 20 30 AEEDLO CCC(CC)[N@H+](CC)CC#N 87157220 343658470 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308593318 346314326 /nfs/dbraw/zinc/31/43/26/346314326.db2.gz QHYPEERDMLPYLT-UHFFFAOYSA-N 1 2 192.262 2.468 20 30 AEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccoc1C 320838218 346322447 /nfs/dbraw/zinc/32/24/47/346322447.db2.gz BPKQRFSGIZYFJW-NSHDSACASA-N 1 2 192.262 2.370 20 30 AEEDLO CC[C@H](CC#N)[NH2+]Cc1ccoc1C 320838216 346322908 /nfs/dbraw/zinc/32/29/08/346322908.db2.gz BPKQRFSGIZYFJW-LLVKDONJSA-N 1 2 192.262 2.370 20 30 AEEDLO CCC[C@@H]([NH2+]CC#N)C1CCC1 324748281 346324751 /nfs/dbraw/zinc/32/47/51/346324751.db2.gz QYZRTRQZCPAOBY-SNVBAGLBSA-N 1 2 166.268 2.068 20 30 AEEDLO CCC[C@H]([NH2+]CC#N)C1CCC1 324748280 346324771 /nfs/dbraw/zinc/32/47/71/346324771.db2.gz QYZRTRQZCPAOBY-JTQLQIEISA-N 1 2 166.268 2.068 20 30 AEEDLO CC(C)[N@@H+](CCCC#N)CC(F)F 379233284 346489854 /nfs/dbraw/zinc/48/98/54/346489854.db2.gz OSDAAKWUEYNQTR-UHFFFAOYSA-N 1 2 190.237 2.266 20 30 AEEDLO CC(C)[N@H+](CCCC#N)CC(F)F 379233284 346489849 /nfs/dbraw/zinc/48/98/49/346489849.db2.gz OSDAAKWUEYNQTR-UHFFFAOYSA-N 1 2 190.237 2.266 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379373107 346508828 /nfs/dbraw/zinc/50/88/28/346508828.db2.gz KPWBWIALVVXKME-UHFFFAOYSA-N 1 2 178.279 2.165 20 30 AEEDLO N#CC[N@@H+](CC1CCCC1)C1CC1 379373107 346508829 /nfs/dbraw/zinc/50/88/29/346508829.db2.gz KPWBWIALVVXKME-UHFFFAOYSA-N 1 2 178.279 2.165 20 30 AEEDLO C=CC[N@@H+](CCC#N)CC(=C)CC 379382463 346511375 /nfs/dbraw/zinc/51/13/75/346511375.db2.gz IXYQBBFABDNTBT-UHFFFAOYSA-N 1 2 178.279 2.354 20 30 AEEDLO C=CC[N@H+](CCC#N)CC(=C)CC 379382463 346511377 /nfs/dbraw/zinc/51/13/77/346511377.db2.gz IXYQBBFABDNTBT-UHFFFAOYSA-N 1 2 178.279 2.354 20 30 AEEDLO CC(C)CCC[N@H+](CC#N)C1CC1 379392681 346514257 /nfs/dbraw/zinc/51/42/57/346514257.db2.gz SKQPFFUVMPGOFV-UHFFFAOYSA-N 1 2 180.295 2.411 20 30 AEEDLO CC(C)CCC[N@@H+](CC#N)C1CC1 379392681 346514262 /nfs/dbraw/zinc/51/42/62/346514262.db2.gz SKQPFFUVMPGOFV-UHFFFAOYSA-N 1 2 180.295 2.411 20 30 AEEDLO Cc1ccoc1C[N@@H+](C)C[C@H](C)C#N 379573375 346525479 /nfs/dbraw/zinc/52/54/79/346525479.db2.gz IMLSEOLAROWGMD-SECBINFHSA-N 1 2 192.262 2.180 20 30 AEEDLO Cc1ccoc1C[N@H+](C)C[C@H](C)C#N 379573375 346525481 /nfs/dbraw/zinc/52/54/81/346525481.db2.gz IMLSEOLAROWGMD-SECBINFHSA-N 1 2 192.262 2.180 20 30 AEEDLO Cc1ccoc1C[N@@H+](C)C[C@@H](C)C#N 379573376 346525993 /nfs/dbraw/zinc/52/59/93/346525993.db2.gz IMLSEOLAROWGMD-VIFPVBQESA-N 1 2 192.262 2.180 20 30 AEEDLO Cc1ccoc1C[N@H+](C)C[C@@H](C)C#N 379573376 346525996 /nfs/dbraw/zinc/52/59/96/346525996.db2.gz IMLSEOLAROWGMD-VIFPVBQESA-N 1 2 192.262 2.180 20 30 AEEDLO C[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC#N 379657951 346528511 /nfs/dbraw/zinc/52/85/11/346528511.db2.gz MYQUUWWIQPVOFE-GHMZBOCLSA-N 1 2 188.274 2.292 20 30 AEEDLO C[C@H]([NH2+]CC#N)[C@@H](C)c1ccccc1 379657952 346528602 /nfs/dbraw/zinc/52/86/02/346528602.db2.gz MYQUUWWIQPVOFE-MNOVXSKESA-N 1 2 188.274 2.292 20 30 AEEDLO C[C@H]([NH2+]CC#N)[C@H](C)c1ccccc1 379657953 346528673 /nfs/dbraw/zinc/52/86/73/346528673.db2.gz MYQUUWWIQPVOFE-QWRGUYRKSA-N 1 2 188.274 2.292 20 30 AEEDLO C[C@@H]([NH2+]CC#N)[C@H](C)c1ccccc1 379657954 346528700 /nfs/dbraw/zinc/52/87/00/346528700.db2.gz MYQUUWWIQPVOFE-WDEREUQCSA-N 1 2 188.274 2.292 20 30 AEEDLO C=C(C)CCNc1[nH+]cccc1OC 387435312 346545464 /nfs/dbraw/zinc/54/54/64/346545464.db2.gz OVUUEPDUBVTOTC-UHFFFAOYSA-N 1 2 192.262 2.468 20 30 AEEDLO CCCCC[N@@H+]1CC[C@@](F)(C#N)C1 388319963 346549751 /nfs/dbraw/zinc/54/97/51/346549751.db2.gz WTFGNDPPJCWSCJ-SNVBAGLBSA-N 1 2 184.258 2.114 20 30 AEEDLO CCCCC[N@H+]1CC[C@@](F)(C#N)C1 388319963 346549754 /nfs/dbraw/zinc/54/97/54/346549754.db2.gz WTFGNDPPJCWSCJ-SNVBAGLBSA-N 1 2 184.258 2.114 20 30 AEEDLO CCCCC[N@@H+]1CC[C@](F)(C#N)C1 388319962 346549869 /nfs/dbraw/zinc/54/98/69/346549869.db2.gz WTFGNDPPJCWSCJ-JTQLQIEISA-N 1 2 184.258 2.114 20 30 AEEDLO CCCCC[N@H+]1CC[C@](F)(C#N)C1 388319962 346549872 /nfs/dbraw/zinc/54/98/72/346549872.db2.gz WTFGNDPPJCWSCJ-JTQLQIEISA-N 1 2 184.258 2.114 20 30 AEEDLO CC[C@@H](C)[C@@H](C)[N@H+](CC#N)C1CC1 388663864 346562912 /nfs/dbraw/zinc/56/29/12/346562912.db2.gz WAZARSZKFJIGSH-NXEZZACHSA-N 1 2 180.295 2.409 20 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601969761 346927889 /nfs/dbraw/zinc/92/78/89/346927889.db2.gz SRRCCNMPNLWGPF-SSDOTTSWSA-N 1 2 195.291 2.016 20 30 AEEDLO Cc1ncc([C@H](C)[NH2+]CCC#N)s1 601969762 346928140 /nfs/dbraw/zinc/92/81/40/346928140.db2.gz SRRCCNMPNLWGPF-ZETCQYMHSA-N 1 2 195.291 2.016 20 30 AEEDLO C[C@H](CCC#N)C[N@H+](C)CC(F)F 602453722 346932905 /nfs/dbraw/zinc/93/29/05/346932905.db2.gz JHXYRLUYPIZWPD-MRVPVSSYSA-N 1 2 190.237 2.123 20 30 AEEDLO C[C@H](CCC#N)C[N@@H+](C)CC(F)F 602453722 346932908 /nfs/dbraw/zinc/93/29/08/346932908.db2.gz JHXYRLUYPIZWPD-MRVPVSSYSA-N 1 2 190.237 2.123 20 30 AEEDLO C[C@@H](CCC#N)C[N@H+](C)CC(F)F 602453738 346933157 /nfs/dbraw/zinc/93/31/57/346933157.db2.gz JHXYRLUYPIZWPD-QMMMGPOBSA-N 1 2 190.237 2.123 20 30 AEEDLO C[C@@H](CCC#N)C[N@@H+](C)CC(F)F 602453738 346933159 /nfs/dbraw/zinc/93/31/59/346933159.db2.gz JHXYRLUYPIZWPD-QMMMGPOBSA-N 1 2 190.237 2.123 20 30 AEEDLO C[C@@H](CCC#N)CNc1cccc[nH+]1 602523129 346934998 /nfs/dbraw/zinc/93/49/98/346934998.db2.gz YIEKRXGNCWWKHT-JTQLQIEISA-N 1 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C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC#N 47848372 351546157 /nfs/dbraw/zinc/54/61/57/351546157.db2.gz LKCPJCSSYRDWHS-ZJUUUORDSA-N 1 2 166.268 2.020 20 30 AEEDLO C[C@@H]1CCCC[C@H]1[N@H+](C)CC#N 47848375 351546368 /nfs/dbraw/zinc/54/63/68/351546368.db2.gz LKCPJCSSYRDWHS-NXEZZACHSA-N 1 2 166.268 2.020 20 30 AEEDLO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC#N 47848375 351546370 /nfs/dbraw/zinc/54/63/70/351546370.db2.gz LKCPJCSSYRDWHS-NXEZZACHSA-N 1 2 166.268 2.020 20 30 AEEDLO N#CC[NH+]1CCC2(CCCC2)CC1 62953857 351590955 /nfs/dbraw/zinc/59/09/55/351590955.db2.gz ZHERGFOVQHYXAE-UHFFFAOYSA-N 1 2 178.279 2.166 20 30 AEEDLO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC#N 82657758 351640163 /nfs/dbraw/zinc/64/01/63/351640163.db2.gz KKOUZXRNJYTGKX-MNOVXSKESA-N 1 2 180.295 2.411 20 30 AEEDLO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC#N 82657758 351640167 /nfs/dbraw/zinc/64/01/67/351640167.db2.gz KKOUZXRNJYTGKX-MNOVXSKESA-N 1 2 180.295 2.411 20 30 AEEDLO CC[C@H]1CCCC[C@H]1[N@H+](C)CC#N 82657761 351640339 /nfs/dbraw/zinc/64/03/39/351640339.db2.gz KKOUZXRNJYTGKX-WDEREUQCSA-N 1 2 180.295 2.411 20 30 AEEDLO CC[C@H]1CCCC[C@H]1[N@@H+](C)CC#N 82657761 351640340 /nfs/dbraw/zinc/64/03/40/351640340.db2.gz KKOUZXRNJYTGKX-WDEREUQCSA-N 1 2 180.295 2.411 20 30 AEEDLO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC#N 82657759 351640427 /nfs/dbraw/zinc/64/04/27/351640427.db2.gz KKOUZXRNJYTGKX-QWRGUYRKSA-N 1 2 180.295 2.411 20 30 AEEDLO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC#N 82657759 351640429 /nfs/dbraw/zinc/64/04/29/351640429.db2.gz KKOUZXRNJYTGKX-QWRGUYRKSA-N 1 2 180.295 2.411 20 30 AEEDLO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC#N 82657760 351640555 /nfs/dbraw/zinc/64/05/55/351640555.db2.gz KKOUZXRNJYTGKX-GHMZBOCLSA-N 1 2 180.295 2.411 20 30 AEEDLO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC#N 82657760 351640559 /nfs/dbraw/zinc/64/05/59/351640559.db2.gz KKOUZXRNJYTGKX-GHMZBOCLSA-N 1 2 180.295 2.411 20 30 AEEDLO CC1(C)CCC[N@H+](CC#N)CC1 83680505 351646393 /nfs/dbraw/zinc/64/63/93/351646393.db2.gz BVSVKFYBOZKQHJ-UHFFFAOYSA-N 1 2 166.268 2.022 20 30 AEEDLO CC1(C)CCC[N@@H+](CC#N)CC1 83680505 351646395 /nfs/dbraw/zinc/64/63/95/351646395.db2.gz BVSVKFYBOZKQHJ-UHFFFAOYSA-N 1 2 166.268 2.022 20 30 AEEDLO N#CCC[NH+]1CC2(CCCCC2)C1 86681349 351655885 /nfs/dbraw/zinc/65/58/85/351655885.db2.gz BAQSTNMQXOIFQE-UHFFFAOYSA-N 1 2 178.279 2.166 20 30 AEEDLO CCC1(CC)CC[N@H+](CC#N)C1 87254241 351658702 /nfs/dbraw/zinc/65/87/02/351658702.db2.gz XBXGABIXVWKIBS-UHFFFAOYSA-N 1 2 166.268 2.022 20 30 AEEDLO CCC1(CC)CC[N@@H+](CC#N)C1 87254241 351658708 /nfs/dbraw/zinc/65/87/08/351658708.db2.gz XBXGABIXVWKIBS-UHFFFAOYSA-N 1 2 166.268 2.022 20 30 AEEDLO C[N@H+](CC#N)C1CCC(C)(C)CC1 87287472 351659119 /nfs/dbraw/zinc/65/91/19/351659119.db2.gz WSPSRZLMBFFPFC-UHFFFAOYSA-N 1 2 180.295 2.411 20 30 AEEDLO C[N@@H+](CC#N)C1CCC(C)(C)CC1 87287472 351659124 /nfs/dbraw/zinc/65/91/24/351659124.db2.gz WSPSRZLMBFFPFC-UHFFFAOYSA-N 1 2 180.295 2.411 20 30 AEEDLO C[C@@H](c1cccc(C#N)c1)c1c[nH]c[nH+]1 104401326 351712888 /nfs/dbraw/zinc/71/28/88/351712888.db2.gz 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351721080 /nfs/dbraw/zinc/72/10/80/351721080.db2.gz HZWVMCFBNKHCJQ-VIFPVBQESA-N 1 2 166.268 2.020 20 30 AEEDLO CC(C)(C)[C@H]1CCC[N@@H+]1CC#N 108286309 351721193 /nfs/dbraw/zinc/72/11/93/351721193.db2.gz HZWVMCFBNKHCJQ-SECBINFHSA-N 1 2 166.268 2.020 20 30 AEEDLO CC(C)(C)[C@H]1CCC[N@H+]1CC#N 108286309 351721194 /nfs/dbraw/zinc/72/11/94/351721194.db2.gz HZWVMCFBNKHCJQ-SECBINFHSA-N 1 2 166.268 2.020 20 30 AEEDLO C=C[C@H](C)Nc1cccc[nH+]1 123473673 351728502 /nfs/dbraw/zinc/72/85/02/351728502.db2.gz WZBCDXICYUNHGL-QMMMGPOBSA-N 1 2 148.209 2.068 20 30 AEEDLO C=C[C@@H](C)Nc1cccc[nH+]1 123473902 351728514 /nfs/dbraw/zinc/72/85/14/351728514.db2.gz WZBCDXICYUNHGL-MRVPVSSYSA-N 1 2 148.209 2.068 20 30 AEEDLO N#CC1(C[NH+]2Cc3ccccc3C2)CC1 260211280 351884192 /nfs/dbraw/zinc/88/41/92/351884192.db2.gz XWNUACVINDCQNT-UHFFFAOYSA-N 1 2 198.269 2.306 20 30 AEEDLO CCS[C@H]1CCCC[N@H+](CC#N)C1 306214607 351907719 /nfs/dbraw/zinc/90/77/19/351907719.db2.gz ZJDZMYZHIAOKHR-JTQLQIEISA-N 1 2 198.335 2.118 20 30 AEEDLO CCS[C@H]1CCCC[N@@H+](CC#N)C1 306214607 351907722 /nfs/dbraw/zinc/90/77/22/351907722.db2.gz ZJDZMYZHIAOKHR-JTQLQIEISA-N 1 2 198.335 2.118 20 30 AEEDLO CCS[C@@H]1CCCC[N@H+](CC#N)C1 306214608 351907879 /nfs/dbraw/zinc/90/78/79/351907879.db2.gz ZJDZMYZHIAOKHR-SNVBAGLBSA-N 1 2 198.335 2.118 20 30 AEEDLO CCS[C@@H]1CCCC[N@@H+](CC#N)C1 306214608 351907882 /nfs/dbraw/zinc/90/78/82/351907882.db2.gz ZJDZMYZHIAOKHR-SNVBAGLBSA-N 1 2 198.335 2.118 20 30 AEEDLO CCC[N@@H+]1CCCC(C)(C)[C@H]1C#N 306225038 351909907 /nfs/dbraw/zinc/90/99/07/351909907.db2.gz LMBOUPSITFDLMC-SNVBAGLBSA-N 1 2 180.295 2.411 20 30 AEEDLO CCC[N@H+]1CCCC(C)(C)[C@H]1C#N 306225038 351909908 /nfs/dbraw/zinc/90/99/08/351909908.db2.gz LMBOUPSITFDLMC-SNVBAGLBSA-N 1 2 180.295 2.411 20 30 AEEDLO CCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N 306225023 351909971 /nfs/dbraw/zinc/90/99/71/351909971.db2.gz LMBOUPSITFDLMC-JTQLQIEISA-N 1 2 180.295 2.411 20 30 AEEDLO CCC[N@H+]1CCCC(C)(C)[C@@H]1C#N 306225023 351909975 /nfs/dbraw/zinc/90/99/75/351909975.db2.gz LMBOUPSITFDLMC-JTQLQIEISA-N 1 2 180.295 2.411 20 30 AEEDLO CC[C@@]1(C)CCC[N@H+](CC#N)C1 306418186 351927627 /nfs/dbraw/zinc/92/76/27/351927627.db2.gz USHFUZLPCMDTIB-JTQLQIEISA-N 1 2 166.268 2.022 20 30 AEEDLO CC[C@@]1(C)CCC[N@@H+](CC#N)C1 306418186 351927629 /nfs/dbraw/zinc/92/76/29/351927629.db2.gz USHFUZLPCMDTIB-JTQLQIEISA-N 1 2 166.268 2.022 20 30 AEEDLO CC[C@]1(C)CCC[N@H+](CC#N)C1 306418187 351927755 /nfs/dbraw/zinc/92/77/55/351927755.db2.gz USHFUZLPCMDTIB-SNVBAGLBSA-N 1 2 166.268 2.022 20 30 AEEDLO CC[C@]1(C)CCC[N@@H+](CC#N)C1 306418187 351927756 /nfs/dbraw/zinc/92/77/56/351927756.db2.gz USHFUZLPCMDTIB-SNVBAGLBSA-N 1 2 166.268 2.022 20 30 AEEDLO CC(C)C[C@H]1CCC[N@@H+]1CC#N 306448435 351931096 /nfs/dbraw/zinc/93/10/96/351931096.db2.gz IGOLNUJZWFWFEJ-SNVBAGLBSA-N 1 2 166.268 2.020 20 30 AEEDLO CC(C)C[C@H]1CCC[N@H+]1CC#N 306448435 351931098 /nfs/dbraw/zinc/93/10/98/351931098.db2.gz IGOLNUJZWFWFEJ-SNVBAGLBSA-N 1 2 166.268 2.020 20 30 AEEDLO 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306612183 351950251 /nfs/dbraw/zinc/95/02/51/351950251.db2.gz IAFDPOYTDYDCII-UHFFFAOYSA-N 1 2 192.287 2.020 20 30 AEEDLO CC1(C)C[N@H+](CC#N)[C@@H]2CCC[C@@H]21 306610119 351950302 /nfs/dbraw/zinc/95/03/02/351950302.db2.gz ZUQUOVSXLMIPFM-VHSXEESVSA-N 1 2 178.279 2.020 20 30 AEEDLO CC1(C)C[N@H+](CC#N)[C@H]2CCC[C@@H]21 306610118 351950332 /nfs/dbraw/zinc/95/03/32/351950332.db2.gz ZUQUOVSXLMIPFM-UWVGGRQHSA-N 1 2 178.279 2.020 20 30 AEEDLO CC1(C)C[N@@H+](CC#N)[C@H]2CCC[C@@H]21 306610118 351950333 /nfs/dbraw/zinc/95/03/33/351950333.db2.gz ZUQUOVSXLMIPFM-UWVGGRQHSA-N 1 2 178.279 2.020 20 30 AEEDLO CC1(C)C[N@H+](CC#N)[C@H]2CCC[C@H]21 306610120 351950342 /nfs/dbraw/zinc/95/03/42/351950342.db2.gz ZUQUOVSXLMIPFM-ZJUUUORDSA-N 1 2 178.279 2.020 20 30 AEEDLO CC1(C)C[N@@H+](CC#N)[C@H]2CCC[C@H]21 306610120 351950344 /nfs/dbraw/zinc/95/03/44/351950344.db2.gz ZUQUOVSXLMIPFM-ZJUUUORDSA-N 1 2 178.279 2.020 20 30 AEEDLO CC1(C)C[N@H+](CC#N)[C@@H]2CCC[C@H]21 306610117 351950389 /nfs/dbraw/zinc/95/03/89/351950389.db2.gz ZUQUOVSXLMIPFM-NXEZZACHSA-N 1 2 178.279 2.020 20 30 AEEDLO CC1(C)C[N@@H+](CC#N)[C@@H]2CCC[C@H]21 306610117 351950392 /nfs/dbraw/zinc/95/03/92/351950392.db2.gz ZUQUOVSXLMIPFM-NXEZZACHSA-N 1 2 178.279 2.020 20 30 AEEDLO N#C[C@@H]1CC[C@H](Nc2cccc[nH+]2)C1 306729705 351959347 /nfs/dbraw/zinc/95/93/47/351959347.db2.gz OUFPKHWOQZQLJF-ZJUUUORDSA-N 1 2 187.246 2.186 20 30 AEEDLO CC[N@@H+]1CCCC(C)(C)[C@@H]1C#N 306865329 351969944 /nfs/dbraw/zinc/96/99/44/351969944.db2.gz LXHVALFYDIDJAP-VIFPVBQESA-N 1 2 166.268 2.020 20 30 AEEDLO CC[N@H+]1CCCC(C)(C)[C@@H]1C#N 306865329 351969948 /nfs/dbraw/zinc/96/99/48/351969948.db2.gz LXHVALFYDIDJAP-VIFPVBQESA-N 1 2 166.268 2.020 20 30 AEEDLO CC[N@@H+]1CCCC(C)(C)[C@H]1C#N 306865319 351969985 /nfs/dbraw/zinc/96/99/85/351969985.db2.gz LXHVALFYDIDJAP-SECBINFHSA-N 1 2 166.268 2.020 20 30 AEEDLO CC[N@H+]1CCCC(C)(C)[C@H]1C#N 306865319 351969987 /nfs/dbraw/zinc/96/99/87/351969987.db2.gz LXHVALFYDIDJAP-SECBINFHSA-N 1 2 166.268 2.020 20 30 AEEDLO N#CC[N@@H+]1CCCC2(CCCC2)C1 307017119 351981104 /nfs/dbraw/zinc/98/11/04/351981104.db2.gz POYQKCRKJMXSMP-UHFFFAOYSA-N 1 2 178.279 2.166 20 30 AEEDLO N#CC[N@H+]1CCCC2(CCCC2)C1 307017119 351981107 /nfs/dbraw/zinc/98/11/07/351981107.db2.gz POYQKCRKJMXSMP-UHFFFAOYSA-N 1 2 178.279 2.166 20 30 AEEDLO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC#N 307071061 351984433 /nfs/dbraw/zinc/98/44/33/351984433.db2.gz WLFJJGDLLNPQIA-JTQLQIEISA-N 1 2 180.295 2.411 20 30 AEEDLO CCC(C)(C)[C@@H]1CCC[N@H+]1CC#N 307071061 351984442 /nfs/dbraw/zinc/98/44/42/351984442.db2.gz WLFJJGDLLNPQIA-JTQLQIEISA-N 1 2 180.295 2.411 20 30 AEEDLO CCC(C)(C)[C@H]1CCC[N@@H+]1CC#N 307071062 351984686 /nfs/dbraw/zinc/98/46/86/351984686.db2.gz WLFJJGDLLNPQIA-SNVBAGLBSA-N 1 2 180.295 2.411 20 30 AEEDLO CCC(C)(C)[C@H]1CCC[N@H+]1CC#N 307071062 351984689 /nfs/dbraw/zinc/98/46/89/351984689.db2.gz WLFJJGDLLNPQIA-SNVBAGLBSA-N 1 2 180.295 2.411 20 30 AEEDLO C[C@@H]1CCC[C@H](C[N@H+](C)CC#N)C1 307115336 351987260 /nfs/dbraw/zinc/98/72/60/351987260.db2.gz TWKUCMFAPVIXRZ-MNOVXSKESA-N 1 2 180.295 2.268 20 30 AEEDLO C[C@@H]1CCC[C@H](C[N@@H+](C)CC#N)C1 307115336 351987262 /nfs/dbraw/zinc/98/72/62/351987262.db2.gz TWKUCMFAPVIXRZ-MNOVXSKESA-N 1 2 180.295 2.268 20 30 AEEDLO C[C@H]1CCC[C@H](C[N@H+](C)CC#N)C1 307115338 351987270 /nfs/dbraw/zinc/98/72/70/351987270.db2.gz TWKUCMFAPVIXRZ-QWRGUYRKSA-N 1 2 180.295 2.268 20 30 AEEDLO C[C@H]1CCC[C@H](C[N@@H+](C)CC#N)C1 307115338 351987271 /nfs/dbraw/zinc/98/72/71/351987271.db2.gz TWKUCMFAPVIXRZ-QWRGUYRKSA-N 1 2 180.295 2.268 20 30 AEEDLO C[C@@H]1CCC[C@@H](C[N@H+](C)CC#N)C1 307115334 351987319 /nfs/dbraw/zinc/98/73/19/351987319.db2.gz TWKUCMFAPVIXRZ-GHMZBOCLSA-N 1 2 180.295 2.268 20 30 AEEDLO C[C@@H]1CCC[C@@H](C[N@@H+](C)CC#N)C1 307115334 351987322 /nfs/dbraw/zinc/98/73/22/351987322.db2.gz TWKUCMFAPVIXRZ-GHMZBOCLSA-N 1 2 180.295 2.268 20 30 AEEDLO C[C@H]1CCC[C@@H](C[N@H+](C)CC#N)C1 307115339 351987398 /nfs/dbraw/zinc/98/73/98/351987398.db2.gz TWKUCMFAPVIXRZ-WDEREUQCSA-N 1 2 180.295 2.268 20 30 AEEDLO C[C@H]1CCC[C@@H](C[N@@H+](C)CC#N)C1 307115339 351987400 /nfs/dbraw/zinc/98/74/00/351987400.db2.gz TWKUCMFAPVIXRZ-WDEREUQCSA-N 1 2 180.295 2.268 20 30 AEEDLO C=C1CC[NH+](Cc2nccs2)CC1 307152414 351990728 /nfs/dbraw/zinc/99/07/28/351990728.db2.gz YCXXGJMPJCNBGO-UHFFFAOYSA-N 1 2 194.303 2.295 20 30 AEEDLO C[C@H]1CCCC[C@]1(C)[NH2+]CC#N 307162273 351991189 /nfs/dbraw/zinc/99/11/89/351991189.db2.gz YFKIQRVEBKIPLF-UWVGGRQHSA-N 1 2 166.268 2.068 20 30 AEEDLO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC#N 307162272 351991204 /nfs/dbraw/zinc/99/12/04/351991204.db2.gz YFKIQRVEBKIPLF-NXEZZACHSA-N 1 2 166.268 2.068 20 30 AEEDLO C[C@H]1CCCC[C@@]1(C)[NH2+]CC#N 307162274 351991384 /nfs/dbraw/zinc/99/13/84/351991384.db2.gz YFKIQRVEBKIPLF-VHSXEESVSA-N 1 2 166.268 2.068 20 30 AEEDLO C[C@@H]1CCCC[C@]1(C)[NH2+]CC#N 307162275 351991416 /nfs/dbraw/zinc/99/14/16/351991416.db2.gz YFKIQRVEBKIPLF-ZJUUUORDSA-N 1 2 166.268 2.068 20 30 AEEDLO CC[C@@H](C)[C@H]1CCCC[N@H+]1CC#N 307170102 351991937 /nfs/dbraw/zinc/99/19/37/351991937.db2.gz ZXDIXZOYYDRAGE-GHMZBOCLSA-N 1 2 180.295 2.411 20 30 AEEDLO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC#N 307170104 351991978 /nfs/dbraw/zinc/99/19/78/351991978.db2.gz ZXDIXZOYYDRAGE-QWRGUYRKSA-N 1 2 180.295 2.411 20 30 AEEDLO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC#N 307170103 351992040 /nfs/dbraw/zinc/99/20/40/351992040.db2.gz ZXDIXZOYYDRAGE-MNOVXSKESA-N 1 2 180.295 2.411 20 30 AEEDLO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC#N 307170103 351992041 /nfs/dbraw/zinc/99/20/41/351992041.db2.gz ZXDIXZOYYDRAGE-MNOVXSKESA-N 1 2 180.295 2.411 20 30 AEEDLO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC#N 307170105 351992104 /nfs/dbraw/zinc/99/21/04/351992104.db2.gz ZXDIXZOYYDRAGE-WDEREUQCSA-N 1 2 180.295 2.411 20 30 AEEDLO CC[C@H](C)[C@H]1CCCC[N@H+]1CC#N 307170105 351992109 /nfs/dbraw/zinc/99/21/09/351992109.db2.gz ZXDIXZOYYDRAGE-WDEREUQCSA-N 1 2 180.295 2.411 20 30 AEEDLO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC#N 307188700 351992823 /nfs/dbraw/zinc/99/28/23/351992823.db2.gz BTHCZVJHJGBSKG-VHSXEESVSA-N 1 2 180.295 2.314 20 30 AEEDLO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC#N 307188698 351992838 /nfs/dbraw/zinc/99/28/38/351992838.db2.gz BTHCZVJHJGBSKG-NXEZZACHSA-N 1 2 180.295 2.314 20 30 AEEDLO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC#N 307188701 351992849 /nfs/dbraw/zinc/99/28/49/351992849.db2.gz BTHCZVJHJGBSKG-ZJUUUORDSA-N 1 2 180.295 2.314 20 30 AEEDLO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC#N 307188699 351992881 /nfs/dbraw/zinc/99/28/81/351992881.db2.gz BTHCZVJHJGBSKG-UWVGGRQHSA-N 1 2 180.295 2.314 20 30 AEEDLO CC1(C)CCCC[N@H+](CC#N)C1 307207799 351994817 /nfs/dbraw/zinc/99/48/17/351994817.db2.gz IWLXDTGKAHOUOY-UHFFFAOYSA-N 1 2 166.268 2.022 20 30 AEEDLO CC1(C)CCCC[N@@H+](CC#N)C1 307207799 351994820 /nfs/dbraw/zinc/99/48/20/351994820.db2.gz IWLXDTGKAHOUOY-UHFFFAOYSA-N 1 2 166.268 2.022 20 30 AEEDLO C=C1CC[NH+](Cc2cscn2)CC1 307457368 352014727 /nfs/dbraw/zinc/01/47/27/352014727.db2.gz ZCSLXERMKBQUSK-UHFFFAOYSA-N 1 2 194.303 2.295 20 30 AEEDLO C[C@H]1CC[C@@]2(CC[N@H+](CC#N)C2)C1 307533044 352020621 /nfs/dbraw/zinc/02/06/21/352020621.db2.gz MNQKBMJMUAQECU-WDEREUQCSA-N 1 2 178.279 2.022 20 30 AEEDLO C[C@H]1CC[C@@]2(CC[N@@H+](CC#N)C2)C1 307533044 352020623 /nfs/dbraw/zinc/02/06/23/352020623.db2.gz MNQKBMJMUAQECU-WDEREUQCSA-N 1 2 178.279 2.022 20 30 AEEDLO C[C@@H]1CC[C@@]2(CC[N@H+](CC#N)C2)C1 307533029 352020655 /nfs/dbraw/zinc/02/06/55/352020655.db2.gz MNQKBMJMUAQECU-GHMZBOCLSA-N 1 2 178.279 2.022 20 30 AEEDLO C[C@@H]1CC[C@@]2(CC[N@@H+](CC#N)C2)C1 307533029 352020659 /nfs/dbraw/zinc/02/06/59/352020659.db2.gz MNQKBMJMUAQECU-GHMZBOCLSA-N 1 2 178.279 2.022 20 30 AEEDLO C[C@H]1CC[C@]2(CC[N@H+](CC#N)C2)C1 307533039 352020733 /nfs/dbraw/zinc/02/07/33/352020733.db2.gz MNQKBMJMUAQECU-QWRGUYRKSA-N 1 2 178.279 2.022 20 30 AEEDLO C[C@H]1CC[C@]2(CC[N@@H+](CC#N)C2)C1 307533039 352020735 /nfs/dbraw/zinc/02/07/35/352020735.db2.gz MNQKBMJMUAQECU-QWRGUYRKSA-N 1 2 178.279 2.022 20 30 AEEDLO C[C@@H]1CC[C@]2(CC[N@H+](CC#N)C2)C1 307533034 352020792 /nfs/dbraw/zinc/02/07/92/352020792.db2.gz MNQKBMJMUAQECU-MNOVXSKESA-N 1 2 178.279 2.022 20 30 AEEDLO C[C@@H]1CC[C@]2(CC[N@@H+](CC#N)C2)C1 307533034 352020795 /nfs/dbraw/zinc/02/07/95/352020795.db2.gz MNQKBMJMUAQECU-MNOVXSKESA-N 1 2 178.279 2.022 20 30 AEEDLO C=C(C)CC[N@@H+]1CCC(F)(F)C1 307679526 352031282 /nfs/dbraw/zinc/03/12/82/352031282.db2.gz MQUWIRCLPHPNBY-UHFFFAOYSA-N 1 2 175.222 2.294 20 30 AEEDLO C=C(C)CC[N@H+]1CCC(F)(F)C1 307679526 352031285 /nfs/dbraw/zinc/03/12/85/352031285.db2.gz MQUWIRCLPHPNBY-UHFFFAOYSA-N 1 2 175.222 2.294 20 30 AEEDLO C[N@H+](CC#N)[C@H]1CCC(C)(C)C1 307728746 352035882 /nfs/dbraw/zinc/03/58/82/352035882.db2.gz GKNPITAGMSSBJC-VIFPVBQESA-N 1 2 166.268 2.020 20 30 AEEDLO C[N@@H+](CC#N)[C@H]1CCC(C)(C)C1 307728746 352035887 /nfs/dbraw/zinc/03/58/87/352035887.db2.gz GKNPITAGMSSBJC-VIFPVBQESA-N 1 2 166.268 2.020 20 30 AEEDLO C[N@H+](CC#N)[C@@H]1CCC(C)(C)C1 307728745 352036193 /nfs/dbraw/zinc/03/61/93/352036193.db2.gz GKNPITAGMSSBJC-SECBINFHSA-N 1 2 166.268 2.020 20 30 AEEDLO C[N@@H+](CC#N)[C@@H]1CCC(C)(C)C1 307728745 352036196 /nfs/dbraw/zinc/03/61/96/352036196.db2.gz GKNPITAGMSSBJC-SECBINFHSA-N 1 2 166.268 2.020 20 30 AEEDLO C=CC1CCN(c2cccc[nH+]2)CC1 334325365 352063918 /nfs/dbraw/zinc/06/39/18/352063918.db2.gz KWMCKPMBRPJHJE-UHFFFAOYSA-N 1 2 188.274 2.484 20 30 AEEDLO CC1(C#N)C[NH+](CC2(C)CCC2)C1 334519072 352074241 /nfs/dbraw/zinc/07/42/41/352074241.db2.gz OIPULQJZNXGBPI-UHFFFAOYSA-N 1 2 178.279 2.022 20 30 AEEDLO C=CCN(C)c1nc(C)[nH+]c(C)c1C 334765386 352081738 /nfs/dbraw/zinc/08/17/38/352081738.db2.gz VQRCKISBXFUNFV-UHFFFAOYSA-N 1 2 191.278 2.024 20 30 AEEDLO C=CC[N@@H+]1Cc2cccc(F)c2C1 334791201 352082058 /nfs/dbraw/zinc/08/20/58/352082058.db2.gz XPZNAPQUGGKGQO-UHFFFAOYSA-N 1 2 177.222 2.327 20 30 AEEDLO C=CC[N@H+]1Cc2cccc(F)c2C1 334791201 352082061 /nfs/dbraw/zinc/08/20/61/352082061.db2.gz XPZNAPQUGGKGQO-UHFFFAOYSA-N 1 2 177.222 2.327 20 30 AEEDLO N#CCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 334858121 352084384 /nfs/dbraw/zinc/08/43/84/352084384.db2.gz VZLUUBXCNPTTOU-LLVKDONJSA-N 1 2 189.262 2.065 20 30 AEEDLO N#CCC[N@H+]1CCC[C@@H]1c1ccc[nH]1 334858121 352084386 /nfs/dbraw/zinc/08/43/86/352084386.db2.gz VZLUUBXCNPTTOU-LLVKDONJSA-N 1 2 189.262 2.065 20 30 AEEDLO N#CCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 334858122 352084558 /nfs/dbraw/zinc/08/45/58/352084558.db2.gz VZLUUBXCNPTTOU-NSHDSACASA-N 1 2 189.262 2.065 20 30 AEEDLO N#CCC[N@H+]1CCC[C@H]1c1ccc[nH]1 334858122 352084560 /nfs/dbraw/zinc/08/45/60/352084560.db2.gz VZLUUBXCNPTTOU-NSHDSACASA-N 1 2 189.262 2.065 20 30 AEEDLO N#CC1(COc2cc[nH+]cc2)CCC1 334958507 352086490 /nfs/dbraw/zinc/08/64/90/352086490.db2.gz XAQWGHXHFQAXGV-UHFFFAOYSA-N 1 2 188.230 2.154 20 30 AEEDLO CC#CC[N@@H+]1Cc2cccc(F)c2C1 335170305 352090457 /nfs/dbraw/zinc/09/04/57/352090457.db2.gz UYWOONUCEMRFLK-UHFFFAOYSA-N 1 2 189.233 2.165 20 30 AEEDLO CC#CC[N@H+]1Cc2cccc(F)c2C1 335170305 352090461 /nfs/dbraw/zinc/09/04/61/352090461.db2.gz UYWOONUCEMRFLK-UHFFFAOYSA-N 1 2 189.233 2.165 20 30 AEEDLO N#CC[N@@H+]1CC[C@@H](C2CCCC2)C1 335494520 352101070 /nfs/dbraw/zinc/10/10/70/352101070.db2.gz KFTLORGAVUISJR-LLVKDONJSA-N 1 2 178.279 2.022 20 30 AEEDLO N#CC[N@H+]1CC[C@@H](C2CCCC2)C1 335494520 352101071 /nfs/dbraw/zinc/10/10/71/352101071.db2.gz KFTLORGAVUISJR-LLVKDONJSA-N 1 2 178.279 2.022 20 30 AEEDLO N#CC[N@@H+]1CC[C@H](C2CCCC2)C1 335494521 352101111 /nfs/dbraw/zinc/10/11/11/352101111.db2.gz KFTLORGAVUISJR-NSHDSACASA-N 1 2 178.279 2.022 20 30 AEEDLO N#CC[N@H+]1CC[C@H](C2CCCC2)C1 335494521 352101113 /nfs/dbraw/zinc/10/11/13/352101113.db2.gz KFTLORGAVUISJR-NSHDSACASA-N 1 2 178.279 2.022 20 30 AEEDLO N#CCC[N@@H+]1CC[C@@H]1c1ccccc1 335914271 352118125 /nfs/dbraw/zinc/11/81/25/352118125.db2.gz DSWGOUAIVWQBGX-GFCCVEGCSA-N 1 2 186.258 2.347 20 30 AEEDLO N#CCC[N@H+]1CC[C@@H]1c1ccccc1 335914271 352118128 /nfs/dbraw/zinc/11/81/28/352118128.db2.gz DSWGOUAIVWQBGX-GFCCVEGCSA-N 1 2 186.258 2.347 20 30 AEEDLO N#CCC[N@@H+]1CC[C@H]1c1ccccc1 335914272 352118277 /nfs/dbraw/zinc/11/82/77/352118277.db2.gz DSWGOUAIVWQBGX-LBPRGKRZSA-N 1 2 186.258 2.347 20 30 AEEDLO N#CCC[N@H+]1CC[C@H]1c1ccccc1 335914272 352118279 /nfs/dbraw/zinc/11/82/79/352118279.db2.gz DSWGOUAIVWQBGX-LBPRGKRZSA-N 1 2 186.258 2.347 20 30 AEEDLO C[C@]1(F)CC[N@H+](CC2(C#N)CCC2)C1 336199160 352128761 /nfs/dbraw/zinc/12/87/61/352128761.db2.gz NASZRODJDJYPRY-JTQLQIEISA-N 1 2 196.269 2.114 20 30 AEEDLO C[C@]1(F)CC[N@@H+](CC2(C#N)CCC2)C1 336199160 352128762 /nfs/dbraw/zinc/12/87/62/352128762.db2.gz NASZRODJDJYPRY-JTQLQIEISA-N 1 2 196.269 2.114 20 30 AEEDLO C[C@@]1(F)CC[N@H+](CC2(C#N)CCC2)C1 336199161 352129257 /nfs/dbraw/zinc/12/92/57/352129257.db2.gz NASZRODJDJYPRY-SNVBAGLBSA-N 1 2 196.269 2.114 20 30 AEEDLO C[C@@]1(F)CC[N@@H+](CC2(C#N)CCC2)C1 336199161 352129261 /nfs/dbraw/zinc/12/92/61/352129261.db2.gz NASZRODJDJYPRY-SNVBAGLBSA-N 1 2 196.269 2.114 20 30 AEEDLO C[C@H]1CC(F)(F)CC[N@@H+]1CCC#N 528764015 352181449 /nfs/dbraw/zinc/18/14/49/352181449.db2.gz CJWKNNRMGAMUBJ-QMMMGPOBSA-N 1 2 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/nfs/dbraw/zinc/92/09/16/352920916.db2.gz URIVOXYNEAAITR-SECBINFHSA-N 1 2 178.279 2.163 20 30 AEEDLO C[C@@H](C#N)[N@H+](CC1CCC1)C1CC1 595711192 352921036 /nfs/dbraw/zinc/92/10/36/352921036.db2.gz URIVOXYNEAAITR-VIFPVBQESA-N 1 2 178.279 2.163 20 30 AEEDLO C[C@@H](C#N)[N@@H+](CC1CCC1)C1CC1 595711192 352921039 /nfs/dbraw/zinc/92/10/39/352921039.db2.gz URIVOXYNEAAITR-VIFPVBQESA-N 1 2 178.279 2.163 20 30 AEEDLO CCC1(CC)CCC[N@H+](CC#N)C1 595752808 352921608 /nfs/dbraw/zinc/92/16/08/352921608.db2.gz OGFUEIMMEAQBOZ-UHFFFAOYSA-N 1 2 180.295 2.412 20 30 AEEDLO CCC1(CC)CCC[N@@H+](CC#N)C1 595752808 352921612 /nfs/dbraw/zinc/92/16/12/352921612.db2.gz OGFUEIMMEAQBOZ-UHFFFAOYSA-N 1 2 180.295 2.412 20 30 AEEDLO CC[N@H+](CCC(C)C)[C@@H](C)C#N 595814004 352922022 /nfs/dbraw/zinc/92/20/22/352922022.db2.gz ZJLWRZQCMWIAPP-JTQLQIEISA-N 1 2 168.284 2.266 20 30 AEEDLO CC[N@@H+](CCC(C)C)[C@@H](C)C#N 595814004 352922026 /nfs/dbraw/zinc/92/20/26/352922026.db2.gz ZJLWRZQCMWIAPP-JTQLQIEISA-N 1 2 168.284 2.266 20 30 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