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ZINC001144906084 781398347 /nfs/dbraw/zinc/39/83/47/781398347.db2.gz DGUWVWMCUBKTPG-WBPNIITGSA-N 0 0 319.310 -2.746 20 30 DAEDRN COc1ccc(C#N)cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144905162 781398903 /nfs/dbraw/zinc/39/89/03/781398903.db2.gz PLPNDNULORXTEI-MVWJERBFSA-N 0 0 324.289 -1.851 20 30 DAEDRN COc1ccc(C#N)cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144905165 781398957 /nfs/dbraw/zinc/39/89/57/781398957.db2.gz PLPNDNULORXTEI-YUSALJHKSA-N 0 0 324.289 -1.851 20 30 DAEDRN C#Cc1ccc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1 ZINC001144906460 781399208 /nfs/dbraw/zinc/39/92/08/781399208.db2.gz TWZLKWUEWSMAEN-FRRDWIJNSA-N 0 0 307.302 -2.072 20 30 DAEDRN N#Cc1cnc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)s1 ZINC001144906975 781399534 /nfs/dbraw/zinc/39/95/34/781399534.db2.gz VTEJZQYISMJSTB-NBEYISGCSA-N 0 0 315.307 -2.725 20 30 DAEDRN CC(C)C[C@](C)(C#N)NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144908334 781401181 /nfs/dbraw/zinc/40/11/81/781401181.db2.gz VPZGALMZZFLUMM-VWMGYNLJSA-N 0 0 302.327 -1.925 20 30 DAEDRN C=C(C)C(=O)OCCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144907529 781401191 /nfs/dbraw/zinc/40/11/91/781401191.db2.gz YKCADODMTFUQID-XHNCKOQMSA-N 0 0 305.283 -3.134 20 30 DAEDRN N#C[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccccc1 ZINC001144894107 781403781 /nfs/dbraw/zinc/40/37/81/781403781.db2.gz OKLCMYYFYQZUIT-IRCOFANPSA-N 0 0 308.290 -1.988 20 30 DAEDRN C#CCCC1(CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)N=N1 ZINC001144908549 781404728 /nfs/dbraw/zinc/40/47/28/781404728.db2.gz ZOJVJWYHAKWVLM-IVZWLZJFSA-N 0 0 313.310 -2.288 20 30 DAEDRN CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](C#N)C(N)=O ZINC001146245118 781411314 /nfs/dbraw/zinc/41/13/14/781411314.db2.gz ATXYPONDUSLPFN-SSDOTTSWSA-N 0 0 313.314 -1.879 20 30 DAEDRN CC1(C)[C@H](C(=O)N[C@@H](C#N)C(N)=O)N2C(=O)C[C@H]2S1(=O)=O ZINC001146267273 781413308 /nfs/dbraw/zinc/41/33/08/781413308.db2.gz QRCNCDAKFJZAML-ARDNSNSESA-N 0 0 314.323 -2.386 20 30 DAEDRN CC(=O)NCC(=O)N1CC2(C1)CCN(CC(=O)NCC#N)C2 ZINC001146915348 781424175 /nfs/dbraw/zinc/42/41/75/781424175.db2.gz YOBHADQGEXIOEI-UHFFFAOYSA-N 0 0 307.354 -1.703 20 30 DAEDRN N#CCNC(=O)CN1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001146974182 781427611 /nfs/dbraw/zinc/42/76/11/781427611.db2.gz OPJZRWJHNDGHES-UHFFFAOYSA-N 0 0 318.341 -2.153 20 30 DAEDRN N#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccsn2)[C@H](O)C1 ZINC001099887620 781441766 /nfs/dbraw/zinc/44/17/66/781441766.db2.gz IFPMTQGDRLQUKP-MWLCHTKSSA-N 0 0 323.378 -1.052 20 30 DAEDRN CNC(=O)CC(=O)N1CC2(C1)CCN(CC(=O)NCC#N)C2 ZINC001147446267 781443165 /nfs/dbraw/zinc/44/31/65/781443165.db2.gz PUUZZFOQVWFELE-UHFFFAOYSA-N 0 0 307.354 -1.703 20 30 DAEDRN C=CCNC(=O)CN1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001147455069 781443634 /nfs/dbraw/zinc/44/36/34/781443634.db2.gz BJSCZTKQUNKAOO-LLVKDONJSA-N 0 0 322.365 -1.069 20 30 DAEDRN Cn1cc(C(=O)N2CC3(C2)CCN(CC(=O)NCC#N)C3)nn1 ZINC001147476572 781443753 /nfs/dbraw/zinc/44/37/53/781443753.db2.gz UDNLIKWMVVYALU-UHFFFAOYSA-N 0 0 317.353 -1.397 20 30 DAEDRN C#CCNC(=O)CN1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099887669 781443926 /nfs/dbraw/zinc/44/39/26/781443926.db2.gz IRDUNVMGVASFIL-WDEREUQCSA-N 0 0 324.381 -2.201 20 30 DAEDRN C=CCNC(=O)CN1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001147455070 781444163 /nfs/dbraw/zinc/44/41/63/781444163.db2.gz BJSCZTKQUNKAOO-NSHDSACASA-N 0 0 322.365 -1.069 20 30 DAEDRN C#CCNC(=O)CN1CCC2(CN(C(=O)c3ncn(C)n3)C2)C1 ZINC001147467477 781444226 /nfs/dbraw/zinc/44/42/26/781444226.db2.gz JYFNLUSSERWKLK-UHFFFAOYSA-N 0 0 316.365 -1.288 20 30 DAEDRN CNS(=O)(=O)CCC(=O)N1CC2(C1)CCN(CC#N)C2 ZINC001147557947 781445822 /nfs/dbraw/zinc/44/58/22/781445822.db2.gz IXFNXOORHGFKPK-UHFFFAOYSA-N 0 0 300.384 -1.016 20 30 DAEDRN C=CCNC(=O)CN1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001147576817 781446801 /nfs/dbraw/zinc/44/68/01/781446801.db2.gz OTNRIOTXFUAYSQ-UHFFFAOYSA-N 0 0 319.369 -1.490 20 30 DAEDRN C#CCOCCC(=O)N1CC2(C1)CCN(CC(=O)NC(N)=O)C2 ZINC001147534844 781447334 /nfs/dbraw/zinc/44/73/34/781447334.db2.gz NNYMCLYTFZSUQK-UHFFFAOYSA-N 0 0 322.365 -1.245 20 30 DAEDRN N=C(c1nonc1N)N(O)C(=O)c1cc2n(n1)CCNC2=O ZINC001147537409 781447570 /nfs/dbraw/zinc/44/75/70/781447570.db2.gz XQNFBDBKFXRZTD-UHFFFAOYSA-N 0 0 306.242 -1.551 20 30 DAEDRN C#CCO[C@H](C)C(=O)N1CC2(C1)CCN(CC(=O)NC(N)=O)C2 ZINC001147531249 781447753 /nfs/dbraw/zinc/44/77/53/781447753.db2.gz ZYPPFFKXYHUNOB-LLVKDONJSA-N 0 0 322.365 -1.246 20 30 DAEDRN N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001147705584 781456185 /nfs/dbraw/zinc/45/61/85/781456185.db2.gz LMKICEDELPPJNH-UHFFFAOYSA-N 0 0 318.293 -1.112 20 30 DAEDRN N#CCNC(=O)CN1CCC2(CN(C(=O)[C@@H]3CCNC3=O)C2)C1 ZINC001148045021 781462966 /nfs/dbraw/zinc/46/29/66/781462966.db2.gz GPDJXCDVYOIYDB-LLVKDONJSA-N 0 0 319.365 -1.703 20 30 DAEDRN C#CCNC(=O)CN1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001148167956 781465364 /nfs/dbraw/zinc/46/53/64/781465364.db2.gz LRAYALFJSNTHBC-NSHDSACASA-N 0 0 319.365 -2.049 20 30 DAEDRN C#C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C1CCOCC1 ZINC001148193523 781465384 /nfs/dbraw/zinc/46/53/84/781465384.db2.gz CRJZEHCSOFGVJN-ZYHUDNBSSA-N 0 0 320.353 -1.278 20 30 DAEDRN CC(=O)N[C@@H](CC(=O)N1CC2(C1)CCN(CC#N)C2)C(N)=O ZINC001148390682 781469838 /nfs/dbraw/zinc/46/98/38/781469838.db2.gz IGPVVMFQFQXKDO-NSHDSACASA-N 0 0 307.354 -1.576 20 30 DAEDRN CC#CCN1CC[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](O)C1 ZINC001099894387 781470915 /nfs/dbraw/zinc/47/09/15/781470915.db2.gz KEMQWAJEUYTCCR-VXGBXAGGSA-N 0 0 302.396 -1.004 20 30 DAEDRN CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC2(C1)CCN(CC#N)C2 ZINC001148458063 781472213 /nfs/dbraw/zinc/47/22/13/781472213.db2.gz HGMBBXAVPRPRKZ-LBPRGKRZSA-N 0 0 321.381 -1.186 20 30 DAEDRN C#CCN1CC[C@H](NC(=O)CS(=O)(=O)CCOC)[C@@H](O)C1 ZINC001099894522 781472344 /nfs/dbraw/zinc/47/23/44/781472344.db2.gz LSMXTSSMANPGDH-RYUDHWBXSA-N 0 0 318.395 -1.768 20 30 DAEDRN CC(=O)NCC(=O)NCC(=O)N[C@H]1CCN(CC#N)C[C@H]1O ZINC001099894531 781472384 /nfs/dbraw/zinc/47/23/84/781472384.db2.gz LVVDQNQHJKNGGT-WDEREUQCSA-N 0 0 311.342 -2.686 20 30 DAEDRN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O ZINC001099894528 781472402 /nfs/dbraw/zinc/47/24/02/781472402.db2.gz LVVDQNQHJKNGGT-GHMZBOCLSA-N 0 0 311.342 -2.686 20 30 DAEDRN C#CCNC(=O)CN1CCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001148720396 781476063 /nfs/dbraw/zinc/47/60/63/781476063.db2.gz DCYFQNGJWXLLON-UHFFFAOYSA-N 0 0 316.365 -1.438 20 30 DAEDRN C=CCOCC(=O)N(C)C1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001299327656 781480316 /nfs/dbraw/zinc/48/03/16/781480316.db2.gz VRTNYHPZIIQKJB-JTQLQIEISA-N 0 0 324.337 -1.544 20 30 DAEDRN COCCC(=O)NC[C@H]1CN(CC(=O)NCC#N)CCCO1 ZINC001148970047 781481307 /nfs/dbraw/zinc/48/13/07/781481307.db2.gz SXLPPRHTLMZGMH-LBPRGKRZSA-N 0 0 312.370 -1.130 20 30 DAEDRN C#CCNC(=O)[C@@H](C)N1CCCO[C@H](CNC(=O)COC)C1 ZINC001148951279 781481323 /nfs/dbraw/zinc/48/13/23/781481323.db2.gz PTBJXPFXLXGTCW-CHWSQXEVSA-N 0 0 311.382 -1.022 20 30 DAEDRN Cn1cc([C@@H]2CN(C(=O)[C@H]3CNC(=O)N3)C[C@H]2NCC#N)cn1 ZINC001086994712 781484784 /nfs/dbraw/zinc/48/47/84/781484784.db2.gz PPKYUNJCHJOCOX-QJPTWQEYSA-N 0 0 317.353 -1.491 20 30 DAEDRN CN(CCOCCN(C)c1nccnc1C#N)C(=O)C(N)=O ZINC001091901056 781486840 /nfs/dbraw/zinc/48/68/40/781486840.db2.gz JYQPTHHVARCNSY-UHFFFAOYSA-N 0 0 306.326 -1.255 20 30 DAEDRN N#CCNC(=O)CN1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001099901513 781487024 /nfs/dbraw/zinc/48/70/24/781487024.db2.gz KCBZLFKMWSZGTH-WPRPVWTQSA-N 0 0 307.314 -2.391 20 30 DAEDRN CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O ZINC001092128718 781490477 /nfs/dbraw/zinc/49/04/77/781490477.db2.gz KPCUYIFCWHJVEH-NWDGAFQWSA-N 0 0 318.337 -1.460 20 30 DAEDRN C#CCNC(=O)CC(=O)N[C@@H]1CCN(c2ncccn2)C[C@H]1O ZINC001092143864 781490572 /nfs/dbraw/zinc/49/05/72/781490572.db2.gz VMJXCTIRUQPUFQ-VXGBXAGGSA-N 0 0 317.349 -1.328 20 30 DAEDRN CNC(=O)CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1O ZINC001092147155 781490974 /nfs/dbraw/zinc/49/09/74/781490974.db2.gz ASFQJMKJPJNULO-GHMZBOCLSA-N 0 0 318.337 -1.460 20 30 DAEDRN CNC(=O)CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O ZINC001092147171 781490988 /nfs/dbraw/zinc/49/09/88/781490988.db2.gz AXLLYOVWWGZUCH-NXEZZACHSA-N 0 0 318.337 -1.460 20 30 DAEDRN N#Cc1cccnc1N1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001092147225 781491755 /nfs/dbraw/zinc/49/17/55/781491755.db2.gz BOMXHFIDESOPJN-QWRGUYRKSA-N 0 0 318.337 -1.323 20 30 DAEDRN N#Cc1ccc(N2CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C2)nn1 ZINC001092147716 781491916 /nfs/dbraw/zinc/49/19/16/781491916.db2.gz HZAVFMFINDCPFQ-NXEZZACHSA-N 0 0 319.325 -1.928 20 30 DAEDRN N#Cc1cccnc1N1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001092147223 781492216 /nfs/dbraw/zinc/49/22/16/781492216.db2.gz BOMXHFIDESOPJN-GHMZBOCLSA-N 0 0 318.337 -1.323 20 30 DAEDRN N#Cc1cnc(N2CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C2)cn1 ZINC001092148566 781492303 /nfs/dbraw/zinc/49/23/03/781492303.db2.gz SLMQZDSPBMIPPG-UWVGGRQHSA-N 0 0 319.325 -1.928 20 30 DAEDRN Cc1cc(C#N)nc(N2CC[C@H](NC(=O)CC(N)=O)[C@H](O)C2)n1 ZINC001092134048 781493024 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781381630 /nfs/dbraw/zinc/38/16/30/781381630.db2.gz VJSLAMXEMYMXES-BDAKNGLRSA-N 0 0 316.321 -1.721 20 30 DAEDRN N#Cc1cnccc1N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001091180737 781381841 /nfs/dbraw/zinc/38/18/41/781381841.db2.gz XOGHXCANHRJYLP-PWSUYJOCSA-N 0 0 315.333 -1.116 20 30 DAEDRN COC[C@H](OC)C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O ZINC001091178381 781381904 /nfs/dbraw/zinc/38/19/04/781381904.db2.gz ZZNREKLMXOAWPI-WOPDTQHZSA-N 0 0 321.337 -1.325 20 30 DAEDRN N#Cc1cnc(N2C[C@@H](NC(=O)C3(C(N)=O)CC3)[C@@H](O)C2)cn1 ZINC001091180263 781381935 /nfs/dbraw/zinc/38/19/35/781381935.db2.gz DMDIUEPDCVSHES-ZJUUUORDSA-N 0 0 316.321 -1.721 20 30 DAEDRN CNC(=O)NCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O ZINC001091191102 781383587 /nfs/dbraw/zinc/38/35/87/781383587.db2.gz CBASUSAECPZZOG-ZJUUUORDSA-N 0 0 319.325 -2.057 20 30 DAEDRN N[C@@H]1NCN(C(=O)/C=C/C(=O)c2ccccc2)[C@@H]2NCN[C@H]21 ZINC001144714537 781383821 /nfs/dbraw/zinc/38/38/21/781383821.db2.gz JMNOYPMSRCBIAU-PZECUIMESA-N 0 0 301.350 -1.055 20 30 DAEDRN N#CCN(Cc1ccccc1)C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144898675 781391149 /nfs/dbraw/zinc/39/11/49/781391149.db2.gz BNQVSGMDCPQVOA-YNEHKIRRSA-N 0 0 322.317 -1.817 20 30 DAEDRN N#CCc1cccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1 ZINC001144902433 781395264 /nfs/dbraw/zinc/39/52/64/781395264.db2.gz HNTBVCBTQIITDH-QJPTWQEYSA-N 0 0 308.290 -1.665 20 30 DAEDRN O=C(C=CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(F)(F)F ZINC001144902987 781396063 /nfs/dbraw/zinc/39/60/63/781396063.db2.gz IEYSPEOXQZQUJM-CIBAMPSWSA-N 0 0 315.200 -2.608 20 30 DAEDRN O=C(C=CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C(F)(F)F ZINC001144902990 781396345 /nfs/dbraw/zinc/39/63/45/781396345.db2.gz IEYSPEOXQZQUJM-VLALPYAGSA-N 0 0 315.200 -2.608 20 30 DAEDRN C=CCN1CCC[C@H]1CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144902853 781396877 /nfs/dbraw/zinc/39/68/77/781396877.db2.gz HJPSTBRYPSWFEC-FIQHERPVSA-N 0 0 316.354 -2.603 20 30 DAEDRN C=CC[C@@](C)(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)OC ZINC001144906081 781398389 /nfs/dbraw/zinc/39/83/89/781398389.db2.gz DGUWVWMCUBKTPG-NMSKTSORSA-N 0 0 319.310 -2.746 20 30 DAEDRN N#Cc1sccc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893510 781402514 /nfs/dbraw/zinc/40/25/14/781402514.db2.gz MSOKSTIFQDRWPJ-BWVDBABLSA-N 0 0 300.292 -1.798 20 30 DAEDRN N#Cc1sccc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893528 781402586 /nfs/dbraw/zinc/40/25/86/781402586.db2.gz MSOKSTIFQDRWPJ-NBEYISGCSA-N 0 0 300.292 -1.798 20 30 DAEDRN Cc1ncc(C#N)cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893478 781402668 /nfs/dbraw/zinc/40/26/68/781402668.db2.gz MOAGCYDJWZKXBS-GMTAPVOTSA-N 0 0 309.278 -2.156 20 30 DAEDRN Cn1nc(NC(=N)c2ccc(C(N)=O)cc2)c(=O)n(C)c1=O ZINC001171256725 781406404 /nfs/dbraw/zinc/40/64/04/781406404.db2.gz LTZHDIRYQPHMHE-UHFFFAOYSA-N 0 0 302.294 -1.385 20 30 DAEDRN CC(=O)N[C@@H](CS)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000232582393 781409114 /nfs/dbraw/zinc/40/91/14/781409114.db2.gz NWKUUJANEPSAEQ-VIFPVBQESA-N 0 0 309.413 -1.475 20 30 DAEDRN C[C@@H](C[C@H](C)NC(=O)CNC(=O)Cn1cncn1)NCC#N ZINC001146562072 781415037 /nfs/dbraw/zinc/41/50/37/781415037.db2.gz MHVOUFVWDQRQQR-QWRGUYRKSA-N 0 0 307.358 -1.209 20 30 DAEDRN COc1ccc(C(=NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)NO)nc1 ZINC001146629055 781416970 /nfs/dbraw/zinc/41/69/70/781416970.db2.gz VOVOXVYWTYZDHP-IJLUTSLNSA-N 0 0 323.305 -1.245 20 30 DAEDRN C=CCNC(=O)CN1CCC2(CN(C(=O)CNC(N)=O)C2)C1 ZINC001146998801 781427325 /nfs/dbraw/zinc/42/73/25/781427325.db2.gz AAXLTBIZTCWGQR-UHFFFAOYSA-N 0 0 309.370 -1.509 20 30 DAEDRN N#CCNC(=O)CN1CCC2(CN(C(=O)[C@@H]3COCCO3)C2)C1 ZINC001147031264 781431523 /nfs/dbraw/zinc/43/15/23/781431523.db2.gz MFGAZPAAEOFGQK-LBPRGKRZSA-N 0 0 322.365 -1.424 20 30 DAEDRN C#CCNC(=O)CN1CCC2(CN(C(=O)CNC(=O)CC)C2)C1 ZINC001147225375 781435294 /nfs/dbraw/zinc/43/52/94/781435294.db2.gz KURZXGYXHNDULV-UHFFFAOYSA-N 0 0 320.393 -1.204 20 30 DAEDRN C#CCNC(=O)CN1CCC2(CN(C(=O)COCCOC)C2)C1 ZINC001147251486 781435503 /nfs/dbraw/zinc/43/55/03/781435503.db2.gz YERHRWQFOJBLOV-UHFFFAOYSA-N 0 0 323.393 -1.067 20 30 DAEDRN C#CCNC(=O)CN1CCC2(CN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001147422361 781443232 /nfs/dbraw/zinc/44/32/32/781443232.db2.gz JUOCDYASANYOTA-NSHDSACASA-N 0 0 321.381 -1.673 20 30 DAEDRN Cn1cnc(C(=O)N2CC3(C2)CCN(CC(=O)NCC#N)C3)n1 ZINC001147467459 781443902 /nfs/dbraw/zinc/44/39/02/781443902.db2.gz JRPYYALQJIZUME-UHFFFAOYSA-N 0 0 317.353 -1.397 20 30 DAEDRN N#CCNC(=O)CN1CCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001147624934 781446721 /nfs/dbraw/zinc/44/67/21/781446721.db2.gz MXEPHSTWJTTXFQ-UHFFFAOYSA-N 0 0 317.353 -1.548 20 30 DAEDRN C=CCNC(=O)CN1CCC2(CN(C(=O)CNC(=O)NC)C2)C1 ZINC001147670659 781450945 /nfs/dbraw/zinc/45/09/45/781450945.db2.gz VYQKLKXXCWRYCK-UHFFFAOYSA-N 0 0 323.397 -1.248 20 30 DAEDRN Cc1n[nH]nc1C(=O)N1CC2(C1)CCN(CC(=O)NCC#N)C2 ZINC001148017475 781460844 /nfs/dbraw/zinc/46/08/44/781460844.db2.gz PQCIQJASPPPUJJ-UHFFFAOYSA-N 0 0 317.353 -1.099 20 30 DAEDRN C#C[C@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C1CCOCC1 ZINC001148193522 781465347 /nfs/dbraw/zinc/46/53/47/781465347.db2.gz CRJZEHCSOFGVJN-PWSUYJOCSA-N 0 0 320.353 -1.278 20 30 DAEDRN C#CCN1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099893895 781467035 /nfs/dbraw/zinc/46/70/35/781467035.db2.gz AHSYDABRYYUJOS-VXGBXAGGSA-N 0 0 310.354 -2.577 20 30 DAEDRN C#CCNC(=O)CN1CCC2(CN(C(=O)c3cnn(C)n3)C2)C1 ZINC001148430718 781472194 /nfs/dbraw/zinc/47/21/94/781472194.db2.gz WLVKOKDOAUXAHE-UHFFFAOYSA-N 0 0 316.365 -1.288 20 30 DAEDRN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCN(CC#N)C[C@@H]1O ZINC001099894529 781472487 /nfs/dbraw/zinc/47/24/87/781472487.db2.gz LVVDQNQHJKNGGT-MNOVXSKESA-N 0 0 311.342 -2.686 20 30 DAEDRN CC(=O)NCC(=O)NCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O ZINC001099894530 781472594 /nfs/dbraw/zinc/47/25/94/781472594.db2.gz LVVDQNQHJKNGGT-QWRGUYRKSA-N 0 0 311.342 -2.686 20 30 DAEDRN C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001149189118 781477620 /nfs/dbraw/zinc/47/76/20/781477620.db2.gz OPHGEJQFQXSWGF-LBPRGKRZSA-N 0 0 319.365 -1.020 20 30 DAEDRN C#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001149189117 781479415 /nfs/dbraw/zinc/47/94/15/781479415.db2.gz OPHGEJQFQXSWGF-GFCCVEGCSA-N 0 0 319.365 -1.020 20 30 DAEDRN C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001149330296 781479595 /nfs/dbraw/zinc/47/95/95/781479595.db2.gz HNECVVLABUCLOB-ZIAGYGMSSA-N 0 0 323.393 -1.021 20 30 DAEDRN C#CCNC(=O)CN1CCCO[C@H](CNC(=O)CCOC)C1 ZINC001148969422 781480326 /nfs/dbraw/zinc/48/03/26/781480326.db2.gz NYPTZTFEAFOXBV-CYBMUJFWSA-N 0 0 311.382 -1.021 20 30 DAEDRN C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001149330294 781480910 /nfs/dbraw/zinc/48/09/10/781480910.db2.gz HNECVVLABUCLOB-KGLIPLIRSA-N 0 0 323.393 -1.021 20 30 DAEDRN CN(CCOCCN(C)c1ccc(C#N)nn1)C(=O)C(N)=O ZINC001091901094 781486834 /nfs/dbraw/zinc/48/68/34/781486834.db2.gz LGVWZCVIGREFJG-UHFFFAOYSA-N 0 0 306.326 -1.255 20 30 DAEDRN C#CCN1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001099908382 781488265 /nfs/dbraw/zinc/48/82/65/781488265.db2.gz CJGHFEYVYRTMGW-RYUDHWBXSA-N 0 0 307.350 -1.290 20 30 DAEDRN C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 ZINC001092106614 781488607 /nfs/dbraw/zinc/48/86/07/781488607.db2.gz KGYLOIOVMOPVLL-YGRLFVJLSA-N 0 0 305.338 -1.158 20 30 DAEDRN C#CCN1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](O)C1 ZINC001099908381 781488674 /nfs/dbraw/zinc/48/86/74/781488674.db2.gz CJGHFEYVYRTMGW-NWDGAFQWSA-N 0 0 307.350 -1.290 20 30 DAEDRN C#CCN1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)[C@H](O)C1 ZINC001099908383 781489251 /nfs/dbraw/zinc/48/92/51/781489251.db2.gz CJGHFEYVYRTMGW-VXGBXAGGSA-N 0 0 307.350 -1.290 20 30 DAEDRN CC(=O)NCC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1O ZINC001092131123 781490105 /nfs/dbraw/zinc/49/01/05/781490105.db2.gz YVOBZWHEZKBHJW-ZYHUDNBSSA-N 0 0 318.337 -1.460 20 30 DAEDRN CC(=O)NCC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O ZINC001092130909 781490114 /nfs/dbraw/zinc/49/01/14/781490114.db2.gz YDFMFKKJYLNEQS-NEPJUHHUSA-N 0 0 318.337 -1.460 20 30 DAEDRN CC(=O)NCC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1O ZINC001092130912 781490198 /nfs/dbraw/zinc/49/01/98/781490198.db2.gz YDFMFKKJYLNEQS-RYUDHWBXSA-N 0 0 318.337 -1.460 20 30 DAEDRN N#Cc1nccnc1N1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001092147124 781490221 /nfs/dbraw/zinc/49/02/21/781490221.db2.gz AKFRPAQOFZQQOO-SCZZXKLOSA-N 0 0 319.325 -1.928 20 30 DAEDRN CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1O ZINC001092128720 781490427 /nfs/dbraw/zinc/49/04/27/781490427.db2.gz KPCUYIFCWHJVEH-VXGBXAGGSA-N 0 0 318.337 -1.460 20 30 DAEDRN CC(=O)NCC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1O ZINC001092129118 781490435 /nfs/dbraw/zinc/49/04/35/781490435.db2.gz NYGLLVSGBBTJAY-GHMZBOCLSA-N 0 0 318.337 -1.460 20 30 DAEDRN CC(=O)NCC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1O ZINC001092131121 781490542 /nfs/dbraw/zinc/49/05/42/781490542.db2.gz YVOBZWHEZKBHJW-JQWIXIFHSA-N 0 0 318.337 -1.460 20 30 DAEDRN CC(=O)NCC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1O ZINC001092128912 781490593 /nfs/dbraw/zinc/49/05/93/781490593.db2.gz MNZLSSVQWSDKHZ-RYUDHWBXSA-N 0 0 318.337 -1.460 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