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/nfs/dbraw/zinc/99/92/42/711999242.db2.gz MTJHDDYBQAYULF-VIFPVBQESA-N 0 1 233.275 -0.416 20 30 BBEDMN CN(C(=O)Cc1ncn[nH]1)[C@@H]1CCN(CC#N)C1 ZINC001033561077 712004530 /nfs/dbraw/zinc/00/45/30/712004530.db2.gz FUFUPAOXLCZLET-SECBINFHSA-N 0 1 248.290 -0.597 20 30 BBEDMN CN(C(=O)Cc1ncn[nH]1)[C@H]1CCN(CC#N)C1 ZINC001033561079 712004649 /nfs/dbraw/zinc/00/46/49/712004649.db2.gz FUFUPAOXLCZLET-VIFPVBQESA-N 0 1 248.290 -0.597 20 30 BBEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001033561742 712004609 /nfs/dbraw/zinc/00/46/09/712004609.db2.gz ITWVLUSGZPPQPD-JTQLQIEISA-N 0 1 247.302 -0.487 20 30 BBEDMN C#CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001033561742 712004607 /nfs/dbraw/zinc/00/46/07/712004607.db2.gz ITWVLUSGZPPQPD-JTQLQIEISA-N 0 1 247.302 -0.487 20 30 BBEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001033561744 712004553 /nfs/dbraw/zinc/00/45/53/712004553.db2.gz ITWVLUSGZPPQPD-SNVBAGLBSA-N 0 1 247.302 -0.487 20 30 BBEDMN C#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001033561744 712004552 /nfs/dbraw/zinc/00/45/52/712004552.db2.gz ITWVLUSGZPPQPD-SNVBAGLBSA-N 0 1 247.302 -0.487 20 30 BBEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001033597259 712006022 /nfs/dbraw/zinc/00/60/22/712006022.db2.gz UTHZGVPCZWPVAB-MNOVXSKESA-N 0 1 249.314 -0.569 20 30 BBEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001033597262 712006002 /nfs/dbraw/zinc/00/60/02/712006002.db2.gz UTHZGVPCZWPVAB-QWRGUYRKSA-N 0 1 249.314 -0.569 20 30 BBEDMN C=CCN1CC[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001033639256 712009928 /nfs/dbraw/zinc/00/99/28/712009928.db2.gz BGINVNKHAAFETJ-LLVKDONJSA-N 0 1 249.318 -0.003 20 30 BBEDMN C=CCN1CC[C@H](N(C)C(=O)Cn2cncn2)C1 ZINC001033639257 712009879 /nfs/dbraw/zinc/00/98/79/712009879.db2.gz BGINVNKHAAFETJ-NSHDSACASA-N 0 1 249.318 -0.003 20 30 BBEDMN C#CCN1CC[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001033639431 712009827 /nfs/dbraw/zinc/00/98/27/712009827.db2.gz DKIQBPABGMXNSK-LLVKDONJSA-N 0 1 247.302 -0.556 20 30 BBEDMN C#CCN1CC[C@H](N(C)C(=O)Cn2cncn2)C1 ZINC001033639433 712009866 /nfs/dbraw/zinc/00/98/66/712009866.db2.gz DKIQBPABGMXNSK-NSHDSACASA-N 0 1 247.302 -0.556 20 30 BBEDMN C#CCN1CC[C@H](N(CC)C(=O)c2nc[nH]n2)C1 ZINC001033992215 712031442 /nfs/dbraw/zinc/03/14/42/712031442.db2.gz GYUZJEUYVWFNIU-JTQLQIEISA-N 0 1 247.302 -0.026 20 30 BBEDMN C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ncn[n-]2)C1 ZINC001033992215 712031441 /nfs/dbraw/zinc/03/14/41/712031441.db2.gz GYUZJEUYVWFNIU-JTQLQIEISA-N 0 1 247.302 -0.026 20 30 BBEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2nc[nH]n2)C1 ZINC001033992217 712031377 /nfs/dbraw/zinc/03/13/77/712031377.db2.gz GYUZJEUYVWFNIU-SNVBAGLBSA-N 0 1 247.302 -0.026 20 30 BBEDMN C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ncn[n-]2)C1 ZINC001033992217 712031376 /nfs/dbraw/zinc/03/13/76/712031376.db2.gz GYUZJEUYVWFNIU-SNVBAGLBSA-N 0 1 247.302 -0.026 20 30 BBEDMN N#CCN1CCCC[C@@H](NC(=O)c2cnn[nH]2)C1 ZINC001034281340 712056616 /nfs/dbraw/zinc/05/66/16/712056616.db2.gz BFSXZVICDOJXCB-SECBINFHSA-N 0 1 248.290 -0.087 20 30 BBEDMN N#CCN1CCCC[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001034281344 712056355 /nfs/dbraw/zinc/05/63/55/712056355.db2.gz BFSXZVICDOJXCB-VIFPVBQESA-N 0 1 248.290 -0.087 20 30 BBEDMN C=CCN1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034375144 712061257 /nfs/dbraw/zinc/06/12/57/712061257.db2.gz LLBKAHKPNWFNQD-SECBINFHSA-N 0 1 225.292 -0.372 20 30 BBEDMN C=CCN1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034375145 712061170 /nfs/dbraw/zinc/06/11/70/712061170.db2.gz LLBKAHKPNWFNQD-VIFPVBQESA-N 0 1 225.292 -0.372 20 30 BBEDMN N#CCN1CCCC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001034444406 712062833 /nfs/dbraw/zinc/06/28/33/712062833.db2.gz PHCHKMCPPYLOHK-SECBINFHSA-N 0 1 248.290 -0.087 20 30 BBEDMN N#CCN1CCCC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001034444406 712062830 /nfs/dbraw/zinc/06/28/30/712062830.db2.gz PHCHKMCPPYLOHK-SECBINFHSA-N 0 1 248.290 -0.087 20 30 BBEDMN N#CCN1CCCC[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001034444407 712062894 /nfs/dbraw/zinc/06/28/94/712062894.db2.gz PHCHKMCPPYLOHK-VIFPVBQESA-N 0 1 248.290 -0.087 20 30 BBEDMN N#CCN1CCCC[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001034444407 712062892 /nfs/dbraw/zinc/06/28/92/712062892.db2.gz PHCHKMCPPYLOHK-VIFPVBQESA-N 0 1 248.290 -0.087 20 30 BBEDMN N#CCN[C@H]1CC[C@H](NC(=O)c2cnn[nH]2)CC1 ZINC001034678835 712078072 /nfs/dbraw/zinc/07/80/72/712078072.db2.gz HGAZLFAUOUPLFA-KYZUINATSA-N 0 1 248.290 -0.041 20 30 BBEDMN N#CCN[C@H]1CC[C@H](NC(=O)c2ncn[nH]2)CC1 ZINC001034757583 712086509 /nfs/dbraw/zinc/08/65/09/712086509.db2.gz KJNPGHCTVNWWPI-KYZUINATSA-N 0 1 248.290 -0.041 20 30 BBEDMN N#CCN[C@H]1CC[C@H](NC(=O)c2nc[nH]n2)CC1 ZINC001034757583 712086505 /nfs/dbraw/zinc/08/65/05/712086505.db2.gz KJNPGHCTVNWWPI-KYZUINATSA-N 0 1 248.290 -0.041 20 30 BBEDMN C#CCN1CC2(C1)CCN(C(=O)CC(N)=O)CC2 ZINC001035673401 712139630 /nfs/dbraw/zinc/13/96/30/712139630.db2.gz NDAQOQSIJGJDBE-UHFFFAOYSA-N 0 1 249.314 -0.581 20 30 BBEDMN CC#CCN1CC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035782629 712143166 /nfs/dbraw/zinc/14/31/66/712143166.db2.gz GWMQQBWJLOSMEM-UHFFFAOYSA-N 0 1 249.314 -0.581 20 30 BBEDMN C=CCN1CC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035783054 712143227 /nfs/dbraw/zinc/14/32/27/712143227.db2.gz UZOIKPCYZLWTIQ-UHFFFAOYSA-N 0 1 237.303 -0.418 20 30 BBEDMN C#CCN1CC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035783138 712143192 /nfs/dbraw/zinc/14/31/92/712143192.db2.gz WKQVAZUYTDOWPJ-UHFFFAOYSA-N 0 1 235.287 -0.971 20 30 BBEDMN C#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCN1C ZINC001038097528 711816405 /nfs/dbraw/zinc/81/64/05/711816405.db2.gz ZCFRHOFXNRHHEL-NEPJUHHUSA-N 0 1 235.331 -0.096 20 30 BBEDMN C#CCN1CC[C@H]1CNC(=O)[C@H]1CCCN1C ZINC001038097531 711816399 /nfs/dbraw/zinc/81/63/99/711816399.db2.gz ZCFRHOFXNRHHEL-NWDGAFQWSA-N 0 1 235.331 -0.096 20 30 BBEDMN C#CCN1CC[C@H]1CNC(=O)[C@@H]1CCCN1C ZINC001038097536 711816412 /nfs/dbraw/zinc/81/64/12/711816412.db2.gz ZCFRHOFXNRHHEL-RYUDHWBXSA-N 0 1 235.331 -0.096 20 30 BBEDMN C#CCN1CC[C@@H]1CNC(=O)[C@H]1CCCN1C ZINC001038097537 711816389 /nfs/dbraw/zinc/81/63/89/711816389.db2.gz ZCFRHOFXNRHHEL-VXGBXAGGSA-N 0 1 235.331 -0.096 20 30 BBEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001038121713 711803320 /nfs/dbraw/zinc/80/33/20/711803320.db2.gz ZEBGNDDBMWIKMH-GHMZBOCLSA-N 0 1 249.314 -0.521 20 30 BBEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001038121716 711803324 /nfs/dbraw/zinc/80/33/24/711803324.db2.gz ZEBGNDDBMWIKMH-WDEREUQCSA-N 0 1 249.314 -0.521 20 30 BBEDMN N#CCN1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001038434001 710686592 /nfs/dbraw/zinc/68/65/92/710686592.db2.gz HMNKVAVDIQYBRM-SSDOTTSWSA-N 0 1 220.236 -0.868 20 30 BBEDMN N#CCN1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001038434004 710687456 /nfs/dbraw/zinc/68/74/56/710687456.db2.gz HMNKVAVDIQYBRM-ZETCQYMHSA-N 0 1 220.236 -0.868 20 30 BBEDMN C#CCN1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001038434644 711774854 /nfs/dbraw/zinc/77/48/54/711774854.db2.gz KPWJUDDWIYWFRG-MRVPVSSYSA-N 0 1 219.248 -0.758 20 30 BBEDMN C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC001038434644 711774853 /nfs/dbraw/zinc/77/48/53/711774853.db2.gz KPWJUDDWIYWFRG-MRVPVSSYSA-N 0 1 219.248 -0.758 20 30 BBEDMN C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC001038434644 711774851 /nfs/dbraw/zinc/77/48/51/711774851.db2.gz KPWJUDDWIYWFRG-MRVPVSSYSA-N 0 1 219.248 -0.758 20 30 BBEDMN C#CCN1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001038434651 711774831 /nfs/dbraw/zinc/77/48/31/711774831.db2.gz KPWJUDDWIYWFRG-QMMMGPOBSA-N 0 1 219.248 -0.758 20 30 BBEDMN C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn[n-]1 ZINC001038434651 711774829 /nfs/dbraw/zinc/77/48/29/711774829.db2.gz KPWJUDDWIYWFRG-QMMMGPOBSA-N 0 1 219.248 -0.758 20 30 BBEDMN C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn[n-]1 ZINC001038434651 711774828 /nfs/dbraw/zinc/77/48/28/711774828.db2.gz KPWJUDDWIYWFRG-QMMMGPOBSA-N 0 1 219.248 -0.758 20 30 BBEDMN C=CCN1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001038434883 710686485 /nfs/dbraw/zinc/68/64/85/710686485.db2.gz MQQHYKABIGEYKG-MRVPVSSYSA-N 0 1 221.264 -0.205 20 30 BBEDMN C=CCN1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001038434894 710688122 /nfs/dbraw/zinc/68/81/22/710688122.db2.gz MQQHYKABIGEYKG-QMMMGPOBSA-N 0 1 221.264 -0.205 20 30 BBEDMN CC#CCN1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001038449473 711780927 /nfs/dbraw/zinc/78/09/27/711780927.db2.gz JJFSGISDYMLUGO-SECBINFHSA-N 0 1 233.275 -0.368 20 30 BBEDMN CC#CCN1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001038449473 711780925 /nfs/dbraw/zinc/78/09/25/711780925.db2.gz JJFSGISDYMLUGO-SECBINFHSA-N 0 1 233.275 -0.368 20 30 BBEDMN CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC001038449473 711780924 /nfs/dbraw/zinc/78/09/24/711780924.db2.gz JJFSGISDYMLUGO-SECBINFHSA-N 0 1 233.275 -0.368 20 30 BBEDMN CC#CCN1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001038449479 711780907 /nfs/dbraw/zinc/78/09/07/711780907.db2.gz JJFSGISDYMLUGO-VIFPVBQESA-N 0 1 233.275 -0.368 20 30 BBEDMN CC#CCN1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001038449479 711780906 /nfs/dbraw/zinc/78/09/06/711780906.db2.gz JJFSGISDYMLUGO-VIFPVBQESA-N 0 1 233.275 -0.368 20 30 BBEDMN CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn[n-]1 ZINC001038449479 711780905 /nfs/dbraw/zinc/78/09/05/711780905.db2.gz JJFSGISDYMLUGO-VIFPVBQESA-N 0 1 233.275 -0.368 20 30 BBEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001038590861 711890502 /nfs/dbraw/zinc/89/05/02/711890502.db2.gz FZHUIXOPNMMHDZ-GHMZBOCLSA-N 0 1 249.314 -0.664 20 30 BBEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001038590862 711890475 /nfs/dbraw/zinc/89/04/75/711890475.db2.gz FZHUIXOPNMMHDZ-MNOVXSKESA-N 0 1 249.314 -0.664 20 30 BBEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001038590863 711890496 /nfs/dbraw/zinc/89/04/96/711890496.db2.gz FZHUIXOPNMMHDZ-QWRGUYRKSA-N 0 1 249.314 -0.664 20 30 BBEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001038590864 711890484 /nfs/dbraw/zinc/89/04/84/711890484.db2.gz FZHUIXOPNMMHDZ-WDEREUQCSA-N 0 1 249.314 -0.664 20 30 BBEDMN CN1CC(C(=O)NC[C@H]2CCN2CC#N)=NC1=O ZINC001038658829 710700360 /nfs/dbraw/zinc/70/03/60/710700360.db2.gz WTVKJXDTIVSZNO-MRVPVSSYSA-N 0 1 249.274 -0.547 20 30 BBEDMN CN1CC(C(=O)NC[C@@H]2CCN2CC#N)=NC1=O ZINC001038658831 710699636 /nfs/dbraw/zinc/69/96/36/710699636.db2.gz WTVKJXDTIVSZNO-QMMMGPOBSA-N 0 1 249.274 -0.547 20 30 BBEDMN C#CCN1CC[C@@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001038659115 710700366 /nfs/dbraw/zinc/70/03/66/710700366.db2.gz XYZHGJDEZHGTIL-SECBINFHSA-N 0 1 248.286 -0.437 20 30 BBEDMN C#CCN1CC[C@H]1CNC(=O)C1=NC(=O)N(C)C1 ZINC001038659117 710698657 /nfs/dbraw/zinc/69/86/57/710698657.db2.gz XYZHGJDEZHGTIL-VIFPVBQESA-N 0 1 248.286 -0.437 20 30 BBEDMN N#CCN1CC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001038673743 710702338 /nfs/dbraw/zinc/70/23/38/710702338.db2.gz ICZVDPIBSJQXNO-SSDOTTSWSA-N 0 1 237.238 -0.124 20 30 BBEDMN N#CCN1CC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001038673744 710701348 /nfs/dbraw/zinc/70/13/48/710701348.db2.gz ICZVDPIBSJQXNO-ZETCQYMHSA-N 0 1 237.238 -0.124 20 30 BBEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001038705644 710701620 /nfs/dbraw/zinc/70/16/20/710701620.db2.gz VYCWNGNHMGGTBI-AXFHLTTASA-N 0 1 249.314 -0.678 20 30 BBEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001038705647 710702201 /nfs/dbraw/zinc/70/22/01/710702201.db2.gz VYCWNGNHMGGTBI-MXWKQRLJSA-N 0 1 249.314 -0.678 20 30 BBEDMN C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1nnc[n-]1 ZINC001038826661 711746746 /nfs/dbraw/zinc/74/67/46/711746746.db2.gz QUFTZUMTHKFYMU-MRVPVSSYSA-N 0 1 219.248 -0.758 20 30 BBEDMN C#CC[N@@H+]1CC[C@H]1CNC(=O)c1nnc[n-]1 ZINC001038826664 711747262 /nfs/dbraw/zinc/74/72/62/711747262.db2.gz QUFTZUMTHKFYMU-QMMMGPOBSA-N 0 1 219.248 -0.758 20 30 BBEDMN C=CCN1CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001038826692 710709401 /nfs/dbraw/zinc/70/94/01/710709401.db2.gz RIMJOIQTTFOHPL-MRVPVSSYSA-N 0 1 221.264 -0.205 20 30 BBEDMN C=CCN1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001038826692 710709397 /nfs/dbraw/zinc/70/93/97/710709397.db2.gz RIMJOIQTTFOHPL-MRVPVSSYSA-N 0 1 221.264 -0.205 20 30 BBEDMN C=CCN1CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001038826696 710710283 /nfs/dbraw/zinc/71/02/83/710710283.db2.gz RIMJOIQTTFOHPL-QMMMGPOBSA-N 0 1 221.264 -0.205 20 30 BBEDMN C=CCN1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001038826696 710710279 /nfs/dbraw/zinc/71/02/79/710710279.db2.gz RIMJOIQTTFOHPL-QMMMGPOBSA-N 0 1 221.264 -0.205 20 30 BBEDMN N#CCN1CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001038827517 710708972 /nfs/dbraw/zinc/70/89/72/710708972.db2.gz YLFNDJOXUSTWOV-SSDOTTSWSA-N 0 1 220.236 -0.868 20 30 BBEDMN N#CCN1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001038827517 710708969 /nfs/dbraw/zinc/70/89/69/710708969.db2.gz YLFNDJOXUSTWOV-SSDOTTSWSA-N 0 1 220.236 -0.868 20 30 BBEDMN N#CCN1CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001038827522 710710741 /nfs/dbraw/zinc/71/07/41/710710741.db2.gz YLFNDJOXUSTWOV-ZETCQYMHSA-N 0 1 220.236 -0.868 20 30 BBEDMN N#CCN1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001038827522 710710738 /nfs/dbraw/zinc/71/07/38/710710738.db2.gz YLFNDJOXUSTWOV-ZETCQYMHSA-N 0 1 220.236 -0.868 20 30 BBEDMN CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1nnc[n-]1 ZINC001038840328 710709348 /nfs/dbraw/zinc/70/93/48/710709348.db2.gz GXXRWBFIPXAYRY-SECBINFHSA-N 0 1 233.275 -0.368 20 30 BBEDMN CC#CC[N@H+]1CC[C@H]1CNC(=O)c1nnc[n-]1 ZINC001038840329 710710193 /nfs/dbraw/zinc/71/01/93/710710193.db2.gz GXXRWBFIPXAYRY-VIFPVBQESA-N 0 1 233.275 -0.368 20 30 BBEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001038934555 710714351 /nfs/dbraw/zinc/71/43/51/710714351.db2.gz ZEBGNDDBMWIKMH-MNOVXSKESA-N 0 1 249.314 -0.521 20 30 BBEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001038934557 710714015 /nfs/dbraw/zinc/71/40/15/710714015.db2.gz ZEBGNDDBMWIKMH-QWRGUYRKSA-N 0 1 249.314 -0.521 20 30 BBEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001039348617 710725678 /nfs/dbraw/zinc/72/56/78/710725678.db2.gz XLMLCMIQDURPHF-MNOVXSKESA-N 0 1 249.314 -0.440 20 30 BBEDMN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039426355 710731657 /nfs/dbraw/zinc/73/16/57/710731657.db2.gz CBJMBRBDJKJFDP-MNOVXSKESA-N 0 1 249.314 -0.440 20 30 BBEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039427131 710731718 /nfs/dbraw/zinc/73/17/18/710731718.db2.gz JGWNDUIDSNDARS-ZJUUUORDSA-N 0 1 237.303 -0.277 20 30 BBEDMN C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001041154230 710763933 /nfs/dbraw/zinc/76/39/33/710763933.db2.gz VGHQZCDAGAEWEH-CYBMUJFWSA-N 0 1 249.314 -0.581 20 30 BBEDMN C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CC(N)=O)C2)C1 ZINC001041154231 710764540 /nfs/dbraw/zinc/76/45/40/710764540.db2.gz VGHQZCDAGAEWEH-ZDUSSCGKSA-N 0 1 249.314 -0.581 20 30 BBEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042209768 710774934 /nfs/dbraw/zinc/77/49/34/710774934.db2.gz CZBMIAOEGAGTLF-NXEZZACHSA-N 0 1 235.287 -0.972 20 30 BBEDMN C#CCN1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042209773 710775581 /nfs/dbraw/zinc/77/55/81/710775581.db2.gz CZBMIAOEGAGTLF-UWVGGRQHSA-N 0 1 235.287 -0.972 20 30 BBEDMN C#CCN1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042209775 710775432 /nfs/dbraw/zinc/77/54/32/710775432.db2.gz CZBMIAOEGAGTLF-VHSXEESVSA-N 0 1 235.287 -0.972 20 30 BBEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042209777 710775403 /nfs/dbraw/zinc/77/54/03/710775403.db2.gz CZBMIAOEGAGTLF-ZJUUUORDSA-N 0 1 235.287 -0.972 20 30 BBEDMN C=CCN1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042210059 710775156 /nfs/dbraw/zinc/77/51/56/710775156.db2.gz FWRNDNQOVHBIKS-NXEZZACHSA-N 0 1 237.303 -0.420 20 30 BBEDMN C=CCN1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042210060 710775421 /nfs/dbraw/zinc/77/54/21/710775421.db2.gz FWRNDNQOVHBIKS-UWVGGRQHSA-N 0 1 237.303 -0.420 20 30 BBEDMN C=CCN1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042210061 710775298 /nfs/dbraw/zinc/77/52/98/710775298.db2.gz FWRNDNQOVHBIKS-VHSXEESVSA-N 0 1 237.303 -0.420 20 30 BBEDMN C=CCN1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042210062 711668155 /nfs/dbraw/zinc/66/81/55/711668155.db2.gz FWRNDNQOVHBIKS-ZJUUUORDSA-N 0 1 237.303 -0.420 20 30 BBEDMN CC#CCN1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042213979 710775214 /nfs/dbraw/zinc/77/52/14/710775214.db2.gz MZMUAIUGMPCAQY-GHMZBOCLSA-N 0 1 249.314 -0.582 20 30 BBEDMN CC#CCN1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042213980 710775718 /nfs/dbraw/zinc/77/57/18/710775718.db2.gz MZMUAIUGMPCAQY-MNOVXSKESA-N 0 1 249.314 -0.582 20 30 BBEDMN CC#CCN1CC[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042213981 710775540 /nfs/dbraw/zinc/77/55/40/710775540.db2.gz MZMUAIUGMPCAQY-QWRGUYRKSA-N 0 1 249.314 -0.582 20 30 BBEDMN CC#CCN1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042213982 710775079 /nfs/dbraw/zinc/77/50/79/710775079.db2.gz MZMUAIUGMPCAQY-WDEREUQCSA-N 0 1 249.314 -0.582 20 30 BBEDMN CN(C(=O)c1ccn[nH]1)C1CN(CC#N)C1 ZINC001042492544 710788503 /nfs/dbraw/zinc/78/85/03/710788503.db2.gz PSQDPPKQMDLHAB-UHFFFAOYSA-N 0 1 219.248 -0.311 20 30 BBEDMN C#CCN1CC(N(C)C(=O)c2ccn[nH]2)C1 ZINC001042492793 710787307 /nfs/dbraw/zinc/78/73/07/710787307.db2.gz YUXLSUCYAZZPGO-UHFFFAOYSA-N 0 1 218.260 -0.201 20 30 BBEDMN Cc1cc(C(=O)N(C)C2CN(CC#N)C2)n[nH]1 ZINC001042508156 710789472 /nfs/dbraw/zinc/78/94/72/710789472.db2.gz XDPKCLQCPQZOCE-UHFFFAOYSA-N 0 1 233.275 -0.002 20 30 BBEDMN Cc1ncc(C(=O)N(C)C2CN(CC#N)C2)[nH]1 ZINC001042543249 710791608 /nfs/dbraw/zinc/79/16/08/710791608.db2.gz IAHXJIPLJKOASZ-UHFFFAOYSA-N 0 1 233.275 -0.002 20 30 BBEDMN C#CCN1CC(N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001042563878 710793541 /nfs/dbraw/zinc/79/35/41/710793541.db2.gz ZMHHXYVASOQFOA-UHFFFAOYSA-N 0 1 232.287 -0.272 20 30 BBEDMN C=CCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042705414 710797667 /nfs/dbraw/zinc/79/76/67/710797667.db2.gz PKGGGZZBNNHFFF-NXEZZACHSA-N 0 1 239.275 -0.020 20 30 BBEDMN C#CCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042705483 710798083 /nfs/dbraw/zinc/79/80/83/710798083.db2.gz TXPGBBLYMWWRJY-NXEZZACHSA-N 0 1 237.259 -0.573 20 30 BBEDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC#N)C1 ZINC001042705633 710798550 /nfs/dbraw/zinc/79/85/50/710798550.db2.gz VJGGXRYGSIZFKQ-RKDXNWHRSA-N 0 1 238.247 -0.682 20 30 BBEDMN C#CCCN1CC(N(C)C(=O)c2[nH]nnc2C)C1 ZINC001043506461 711948021 /nfs/dbraw/zinc/94/80/21/711948021.db2.gz BHWMLBFOKFRFLK-UHFFFAOYSA-N 0 1 247.302 -0.107 20 30 BBEDMN C#CCN1CC(N(C)C(=O)c2[nH]nnc2C)C1 ZINC001043506982 710809627 /nfs/dbraw/zinc/80/96/27/710809627.db2.gz SCOPFZHLVDTHKU-UHFFFAOYSA-N 0 1 233.275 -0.497 20 30 BBEDMN Cc1nn[nH]c1C(=O)N(C)C1CN(CC#N)C1 ZINC001043507049 710809618 /nfs/dbraw/zinc/80/96/18/710809618.db2.gz WMAANSBBNZNIEW-UHFFFAOYSA-N 0 1 234.263 -0.607 20 30 BBEDMN CC#CCN1CC(N(C)C(=O)c2[nH]nnc2C)C1 ZINC001043508829 710809381 /nfs/dbraw/zinc/80/93/81/710809381.db2.gz WPXWDBKFKNAFAS-UHFFFAOYSA-N 0 1 247.302 -0.107 20 30 BBEDMN C#CCN1CC(N(C)C(=O)C2=NC(=O)N(C)C2)C1 ZINC001043750225 710812430 /nfs/dbraw/zinc/81/24/30/710812430.db2.gz NSSATGYVWHQTCD-UHFFFAOYSA-N 0 1 248.286 -0.485 20 30 BBEDMN CN(C(=O)C1=NC(=O)N(C)C1)C1CN(CC#N)C1 ZINC001043751045 710812667 /nfs/dbraw/zinc/81/26/67/710812667.db2.gz VQCYYWSPCMAHPV-UHFFFAOYSA-N 0 1 249.274 -0.595 20 30 BBEDMN CN(C(=O)Cc1c[nH]cn1)C1CN(CC#N)C1 ZINC001043978230 710816051 /nfs/dbraw/zinc/81/60/51/710816051.db2.gz SCXYZXOETCBITB-UHFFFAOYSA-N 0 1 233.275 -0.382 20 30 BBEDMN C#CC[NH+]1CC(N(C)C(=O)c2nnc[n-]2)C1 ZINC001044066983 710818637 /nfs/dbraw/zinc/81/86/37/710818637.db2.gz JODSMQOVEXQWBA-UHFFFAOYSA-N 0 1 219.248 -0.806 20 30 BBEDMN CC#CC[NH+]1CC(N(C)C(=O)c2nnc[n-]2)C1 ZINC001044068057 710817966 /nfs/dbraw/zinc/81/79/66/710817966.db2.gz UJHUDHOUNPSQRS-UHFFFAOYSA-N 0 1 233.275 -0.416 20 30 BBEDMN C#CCN1CC(N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001044163204 710819362 /nfs/dbraw/zinc/81/93/62/710819362.db2.gz NANUHCFJKIOTRX-UHFFFAOYSA-N 0 1 233.275 -0.877 20 30 BBEDMN C=CCN1CC(N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001044163233 710819404 /nfs/dbraw/zinc/81/94/04/710819404.db2.gz NITUPEFIIKPUSH-UHFFFAOYSA-N 0 1 235.291 -0.324 20 30 BBEDMN CN(C(=O)Cc1ncn[nH]1)C1CN(CC#N)C1 ZINC001044163465 710820508 /nfs/dbraw/zinc/82/05/08/710820508.db2.gz QVHCOYILRPYMOA-UHFFFAOYSA-N 0 1 234.263 -0.987 20 30 BBEDMN CC#CCN1CC(N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001044165784 710821997 /nfs/dbraw/zinc/82/19/97/710821997.db2.gz JFMNGFPFBWECSJ-UHFFFAOYSA-N 0 1 247.302 -0.487 20 30 BBEDMN CC1(NC(=O)c2cnn[nH]2)CCN(CC#N)CC1 ZINC001045489041 710840262 /nfs/dbraw/zinc/84/02/62/710840262.db2.gz ALFMDCOTBPHAJL-UHFFFAOYSA-N 0 1 248.290 -0.087 20 30 BBEDMN CC1(NC(=O)c2nnc[n-]2)CC[NH+](CC#N)CC1 ZINC001045591754 710839528 /nfs/dbraw/zinc/83/95/28/710839528.db2.gz FYNAJOKPZGQIII-UHFFFAOYSA-N 0 1 248.290 -0.087 20 30 BBEDMN CC1(NC(=O)c2nnc[nH]2)CCN(CC#N)CC1 ZINC001045591754 710839526 /nfs/dbraw/zinc/83/95/26/710839526.db2.gz FYNAJOKPZGQIII-UHFFFAOYSA-N 0 1 248.290 -0.087 20 30 BBEDMN CC1(NC(=O)c2ncn[nH]2)CCN(CC#N)CC1 ZINC001045591754 710839523 /nfs/dbraw/zinc/83/95/23/710839523.db2.gz FYNAJOKPZGQIII-UHFFFAOYSA-N 0 1 248.290 -0.087 20 30 BBEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001046196475 710853889 /nfs/dbraw/zinc/85/38/89/710853889.db2.gz CNSZQRUGYVGBFA-MFKMUULPSA-N 0 1 249.314 -0.521 20 30 BBEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001046196476 710854049 /nfs/dbraw/zinc/85/40/49/710854049.db2.gz CNSZQRUGYVGBFA-ZWNOBZJWSA-N 0 1 249.314 -0.521 20 30 BBEDMN C[C@]1(NC(=O)c2cnn[nH]2)CCN(CC#N)C1 ZINC001046439021 710860497 /nfs/dbraw/zinc/86/04/97/710860497.db2.gz KGQNFGFZFUTFNI-JTQLQIEISA-N 0 1 234.263 -0.478 20 30 BBEDMN C[C@@]1(NC(=O)c2cnn[nH]2)CCN(CC#N)C1 ZINC001046439022 710859939 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