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C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001079799269 805944867 /nfs/dbraw/zinc/94/48/67/805944867.db2.gz YAIAKNASLKUAPZ-JHJVBQTASA-N 0 1 277.368 -0.076 20 30 CBEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001079842561 805946523 /nfs/dbraw/zinc/94/65/23/805946523.db2.gz IIGATFZCALTYPR-FRRDWIJNSA-N 0 1 277.368 -0.028 20 30 CBEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001079894911 805950320 /nfs/dbraw/zinc/95/03/20/805950320.db2.gz KMCHDIABDVABLF-IJLUTSLNSA-N 0 1 263.341 -0.418 20 30 CBEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001080075533 805959457 /nfs/dbraw/zinc/95/94/57/805959457.db2.gz CMVLEOXULDJXDI-JHJVBQTASA-N 0 1 292.383 -0.153 20 30 CBEDMN C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001080250157 805966657 /nfs/dbraw/zinc/96/66/57/805966657.db2.gz USRDRWKZWHYQJS-MWLCHTKSSA-N 0 1 290.323 -0.831 20 30 CBEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001080265331 805969338 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C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2CCOCC2)C1 ZINC001081058716 806024001 /nfs/dbraw/zinc/02/40/01/806024001.db2.gz QOGWHFVRZFLYOA-HZSPNIEDSA-N 0 1 279.384 -0.223 20 30 CBEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001081003895 806022492 /nfs/dbraw/zinc/02/24/92/806022492.db2.gz HMFXXLLHTVFPCE-FRRDWIJNSA-N 0 1 277.368 -0.076 20 30 CBEDMN C#CCCN1C[C@@H](NC(=O)[C@H]2COCCO2)[C@H](OC)C1 ZINC001081384095 806072962 /nfs/dbraw/zinc/07/29/62/806072962.db2.gz OMCBLSDVRBEOJM-JHJVBQTASA-N 0 1 282.340 -0.760 20 30 CBEDMN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@H](OC)C1 ZINC001081518831 806092716 /nfs/dbraw/zinc/09/27/16/806092716.db2.gz YODXXAIHJICDNN-JHJVBQTASA-N 0 1 295.383 -0.096 20 30 CBEDMN C#CCCN1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](OC)C1 ZINC001081599059 806105133 /nfs/dbraw/zinc/10/51/33/806105133.db2.gz KRQPWHYNAXHOBJ-ZIAGYGMSSA-N 0 1 293.367 -0.697 20 30 CBEDMN C#CCCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)[C@H](OC)C1 ZINC001081884668 806130116 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CBEDMN N#CCN1C[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H](O)C1 ZINC001083597493 806379190 /nfs/dbraw/zinc/37/91/90/806379190.db2.gz YGTVNPLEIDCCPY-MNOVXSKESA-N 0 1 275.312 -0.803 20 30 CBEDMN C#CCN1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1 ZINC001083606682 806381068 /nfs/dbraw/zinc/38/10/68/806381068.db2.gz KJHBQOPMGBWUAV-KGLIPLIRSA-N 0 1 284.319 -0.258 20 30 CBEDMN C#CCCN1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](O)C1 ZINC001083599325 806382764 /nfs/dbraw/zinc/38/27/64/806382764.db2.gz OXLAKRLPHYFDNT-OLZOCXBDSA-N 0 1 289.335 -0.817 20 30 CBEDMN C#CCCN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)[C@@H](O)C1 ZINC001083658011 806394511 /nfs/dbraw/zinc/39/45/11/806394511.db2.gz ASZUZMQDGSHUPT-MQYQWHSLSA-N 0 1 280.368 -0.014 20 30 CBEDMN C=CCCN1C[C@@H](NC(=O)c2csnn2)[C@@H](O)C1 ZINC001083676510 806398658 /nfs/dbraw/zinc/39/86/58/806398658.db2.gz DZPXEBREOOFHNR-SCZZXKLOSA-N 0 1 268.342 -0.111 20 30 CBEDMN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)[C@@H](O)C1 ZINC001083671354 806399678 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CC#CC[N@H+]1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001028662002 799159382 /nfs/dbraw/zinc/15/93/82/799159382.db2.gz RRENMCDERUWGQG-SECBINFHSA-N 0 1 291.311 -0.642 20 30 CBEDMN C=CC[N@H+]1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001028662852 799159895 /nfs/dbraw/zinc/15/98/95/799159895.db2.gz AWKQOHHZURKLRM-MRVPVSSYSA-N 0 1 279.300 -0.480 20 30 CBEDMN C#CC[N@@H+]1CC[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001028732744 799163395 /nfs/dbraw/zinc/16/33/95/799163395.db2.gz NSRMAJUBGJCKAE-SNVBAGLBSA-N 0 1 290.323 -0.829 20 30 CBEDMN N#CCN1CC(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001031374799 799479208 /nfs/dbraw/zinc/47/92/08/799479208.db2.gz IMLLGTHERAAMAK-UHFFFAOYSA-N 0 1 256.269 -0.105 20 30 CBEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001031497611 799496552 /nfs/dbraw/zinc/49/65/52/799496552.db2.gz WNYGPDGNVUDELQ-JTQLQIEISA-N 0 1 279.340 -0.194 20 30 CBEDMN C#CCCN1CC(CNC(=O)c2nccnc2N)C1 ZINC001031589581 799515352 /nfs/dbraw/zinc/51/53/52/799515352.db2.gz BNNUJNHZTCGUGM-UHFFFAOYSA-N 0 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-0.048 20 30 CBEDMN C#CCN1CC[C@@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001033642835 799774520 /nfs/dbraw/zinc/77/45/20/799774520.db2.gz PXTXNQUZRLDMNS-LLVKDONJSA-N 0 1 292.339 -0.954 20 30 CBEDMN C#CCN1CC[C@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001033654744 799775106 /nfs/dbraw/zinc/77/51/06/799775106.db2.gz BZINJGULZKFXIL-JTQLQIEISA-N 0 1 290.323 -0.735 20 30 CBEDMN CC#CCN1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033646251 799776537 /nfs/dbraw/zinc/77/65/37/799776537.db2.gz MNKVISLRFYDWOW-GFCCVEGCSA-N 0 1 291.351 -0.309 20 30 CBEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001033668755 799777921 /nfs/dbraw/zinc/77/79/21/799777921.db2.gz DXWAQIBIZPAZKL-MNOVXSKESA-N 0 1 287.385 -0.603 20 30 CBEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2nc3ncccn3n2)C1 ZINC001033662534 799778677 /nfs/dbraw/zinc/77/86/77/799778677.db2.gz QRZBDTXQDLFKAT-GFCCVEGCSA-N 0 1 298.350 -0.167 20 30 CBEDMN C=CCN1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001033686268 799780333 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