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/nfs/dbraw/zinc/66/18/25/343661825.db2.gz SWCRGUQLYNJIDO-SECBINFHSA-N 0 1 168.240 0.915 20 30 ACEDMN COC[C@H](NCCC#N)C1CC1 87477915 343662014 /nfs/dbraw/zinc/66/20/14/343662014.db2.gz SWCRGUQLYNJIDO-VIFPVBQESA-N 0 1 168.240 0.915 20 30 ACEDMN C[C@@H](CC#N)N[C@@H]1CCOC1 87786902 343664384 /nfs/dbraw/zinc/66/43/84/343664384.db2.gz NVRUWDOCZPPMCB-JGVFFNPUSA-N 0 1 154.213 0.667 20 30 ACEDMN C[C@@H](CC#N)N[C@H]1CCOC1 87786906 343664481 /nfs/dbraw/zinc/66/44/81/343664481.db2.gz NVRUWDOCZPPMCB-YUMQZZPRSA-N 0 1 154.213 0.667 20 30 ACEDMN C[C@H](CC#N)N[C@H]1CCOC1 87786908 343664540 /nfs/dbraw/zinc/66/45/40/343664540.db2.gz NVRUWDOCZPPMCB-SFYZADRCSA-N 0 1 154.213 0.667 20 30 ACEDMN C[C@H](CC#N)N[C@@H]1CCOC1 87786904 343664591 /nfs/dbraw/zinc/66/45/91/343664591.db2.gz NVRUWDOCZPPMCB-HTQZYQBOSA-N 0 1 154.213 0.667 20 30 ACEDMN CC(C)(CO)CNCCC#N 88170262 343668349 /nfs/dbraw/zinc/66/83/49/343668349.db2.gz PLMBYUIZAJPHTR-UHFFFAOYSA-N 0 1 156.229 0.508 20 30 ACEDMN C#CCN1CCC2(CC1)OCCO2 107835320 343750331 /nfs/dbraw/zinc/75/03/31/343750331.db2.gz SATIWFYJULIJBO-UHFFFAOYSA-N 0 1 181.235 0.459 20 30 ACEDMN COCC(C)(C)NCCC#N 122350631 343779321 /nfs/dbraw/zinc/77/93/21/343779321.db2.gz WPYMNBIPSTZSBG-UHFFFAOYSA-N 0 1 156.229 0.915 20 30 ACEDMN C[C@@H](CC#N)NCC1(O)CCC1 123071506 343781626 /nfs/dbraw/zinc/78/16/26/343781626.db2.gz FXEVHVXUECDYBH-QMMMGPOBSA-N 0 1 168.240 0.793 20 30 ACEDMN C[C@H](CC#N)NCC1(O)CCC1 123071700 343781675 /nfs/dbraw/zinc/78/16/75/343781675.db2.gz FXEVHVXUECDYBH-MRVPVSSYSA-N 0 1 168.240 0.793 20 30 ACEDMN C=CC[C@@H](C)NC(=O)c1cnn[nH]1 123976170 343784901 /nfs/dbraw/zinc/78/49/01/343784901.db2.gz GLHRDIVMSYPYFK-ZCFIWIBFSA-N 0 1 180.211 0.499 20 30 ACEDMN C=CC[C@H](C)NC(=O)c1cnn[nH]1 123975944 343785279 /nfs/dbraw/zinc/78/52/79/343785279.db2.gz GLHRDIVMSYPYFK-LURJTMIESA-N 0 1 180.211 0.499 20 30 ACEDMN CC#CC[N@@H+]1CCSC[C@H]1C(=O)[O-] 126655058 343795489 /nfs/dbraw/zinc/79/54/89/343795489.db2.gz MJAOIJMNLJBRHK-QMMMGPOBSA-N 0 1 199.275 0.512 20 30 ACEDMN CC#CC[N@H+]1CCSC[C@H]1C(=O)[O-] 126655058 343795490 /nfs/dbraw/zinc/79/54/90/343795490.db2.gz MJAOIJMNLJBRHK-QMMMGPOBSA-N 0 1 199.275 0.512 20 30 ACEDMN CC#CC[N@@H+]1CCSC[C@@H]1C(=O)[O-] 126654821 343795700 /nfs/dbraw/zinc/79/57/00/343795700.db2.gz MJAOIJMNLJBRHK-MRVPVSSYSA-N 0 1 199.275 0.512 20 30 ACEDMN CC#CC[N@H+]1CCSC[C@@H]1C(=O)[O-] 126654821 343795703 /nfs/dbraw/zinc/79/57/03/343795703.db2.gz MJAOIJMNLJBRHK-MRVPVSSYSA-N 0 1 199.275 0.512 20 30 ACEDMN C[C@@H](CO)NCc1ccc(C#N)o1 127145241 343805047 /nfs/dbraw/zinc/80/50/47/343805047.db2.gz LYYGRDDGNLFMPA-ZETCQYMHSA-N 0 1 180.207 0.622 20 30 ACEDMN C[C@H](CO)NCc1ccc(C#N)o1 127145456 343805092 /nfs/dbraw/zinc/80/50/92/343805092.db2.gz LYYGRDDGNLFMPA-SSDOTTSWSA-N 0 1 180.207 0.622 20 30 ACEDMN C[C@H](O)CNCc1ccc(C#N)o1 128214046 343826403 /nfs/dbraw/zinc/82/64/03/343826403.db2.gz WSQCOPGRCORLNQ-ZETCQYMHSA-N 0 1 180.207 0.622 20 30 ACEDMN C[C@@H](O)CNCc1ccc(C#N)o1 128233040 343827114 /nfs/dbraw/zinc/82/71/14/343827114.db2.gz 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