smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1nc(-c2nn[nH]n2)c(N=NCc2cnc(-c3ccncc3)s2)o1 ZINC000819965442 945320489 /nfs/dbraw/zinc/32/04/89/945320489.db2.gz HENXIMKQAILLFA-UHFFFAOYSA-N 0 1 395.452 3.117 20 30 GGEDMN C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555594 946799218 /nfs/dbraw/zinc/79/92/18/946799218.db2.gz XYWPTYZJLZSHFF-CYBMUJFWSA-N 0 1 387.365 3.468 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC001602796024 971559400 /nfs/dbraw/zinc/55/94/00/971559400.db2.gz SVNXGTRVLURXKT-KGLIPLIRSA-N 0 1 389.521 3.402 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC001602796024 971559405 /nfs/dbraw/zinc/55/94/05/971559405.db2.gz SVNXGTRVLURXKT-KGLIPLIRSA-N 0 1 389.521 3.402 20 30 GGEDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC001589605210 949244241 /nfs/dbraw/zinc/24/42/41/949244241.db2.gz NCXVDKHJAUANMA-IBGZPJMESA-N 0 1 375.494 3.014 20 30 GGEDMN CC(C)(C)c1ccc(C(C)(C)CNc2cnc(C#N)c(-c3nn[nH]n3)n2)cc1 ZINC001573881254 950750577 /nfs/dbraw/zinc/75/05/77/950750577.db2.gz BKJLNTUIJVYLSB-UHFFFAOYSA-N 0 1 376.468 3.216 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589277603 953468294 /nfs/dbraw/zinc/46/82/94/953468294.db2.gz AYHWCPJUCMUYOA-MGPQQGTHSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589277603 953468301 /nfs/dbraw/zinc/46/83/01/953468301.db2.gz AYHWCPJUCMUYOA-MGPQQGTHSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589279996 953485109 /nfs/dbraw/zinc/48/51/09/953485109.db2.gz SQOBIJLPHGBNJJ-ILXRZTDVSA-N 0 1 375.494 3.062 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589279996 953485122 /nfs/dbraw/zinc/48/51/22/953485122.db2.gz SQOBIJLPHGBNJJ-ILXRZTDVSA-N 0 1 375.494 3.062 20 30 GGEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589300001 953686341 /nfs/dbraw/zinc/68/63/41/953686341.db2.gz QIHSAOSOAAOCSC-YXAKOPBCSA-N 0 1 397.519 3.106 20 30 GGEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](CC(=O)[O-])C3CCC3)sc2C1 ZINC001589362955 954164671 /nfs/dbraw/zinc/16/46/71/954164671.db2.gz BJPRTSWGMQTGIF-GFCCVEGCSA-N 0 1 375.494 3.012 20 30 GGEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCC[C@H]3C(=O)[O-])sc2C1 ZINC001589364968 954182715 /nfs/dbraw/zinc/18/27/15/954182715.db2.gz ZNKNXSZVMZPPQB-DOMZBBRYSA-N 0 1 375.494 3.012 20 30 GGEDMN N#CCc1cccc2c1CC[N@@H+](Cc1ccc(N3CCC[C@H](C(=O)[O-])C3)o1)C2 ZINC001594611320 956213933 /nfs/dbraw/zinc/21/39/33/956213933.db2.gz RUAZBFSKRPNZIY-SFHVURJKSA-N 0 1 379.460 3.205 20 30 GGEDMN N#CCc1cccc2c1CC[N@H+](Cc1ccc(N3CCC[C@H](C(=O)[O-])C3)o1)C2 ZINC001594611320 956213941 /nfs/dbraw/zinc/21/39/41/956213941.db2.gz RUAZBFSKRPNZIY-SFHVURJKSA-N 0 1 379.460 3.205 20 30 GGEDMN N#Cc1cc2c(n(Cc3cccc(C(=O)[O-])c3)c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC001594617688 956253236 /nfs/dbraw/zinc/25/32/36/956253236.db2.gz SWSRHKCCQXMQPP-UHFFFAOYSA-N 0 1 399.450 3.025 20 30 GGEDMN COCC[N@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Cc1ccc(C#N)cc1 ZINC001594012820 957011513 /nfs/dbraw/zinc/01/15/13/957011513.db2.gz YJCHSYQOSPULJV-LJQANCHMSA-N 0 1 397.475 3.101 20 30 GGEDMN COCC[N@@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Cc1ccc(C#N)cc1 ZINC001594012820 957011528 /nfs/dbraw/zinc/01/15/28/957011528.db2.gz YJCHSYQOSPULJV-LJQANCHMSA-N 0 1 397.475 3.101 20 30 GGEDMN N#CC1(c2ccccn2)CC[NH+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC1 ZINC001120371125 957201024 /nfs/dbraw/zinc/20/10/24/957201024.db2.gz RKFMISFGOBMPRJ-UHFFFAOYSA-N 0 1 394.475 3.033 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1C#N ZINC001605074688 972702383 /nfs/dbraw/zinc/70/23/83/972702383.db2.gz YJLIAAKDIMVDKL-INIZCTEOSA-N 0 1 386.496 3.217 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1C#N ZINC001605074688 972702394 /nfs/dbraw/zinc/70/23/94/972702394.db2.gz YJLIAAKDIMVDKL-INIZCTEOSA-N 0 1 386.496 3.217 20 30 GGEDMN Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)ccc1Cl ZINC001605187444 972905960 /nfs/dbraw/zinc/90/59/60/972905960.db2.gz XZSTUIPTBLJHKB-HNNXBMFYSA-N 0 1 377.872 3.082 20 30 GGEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@]3(C)C(=O)[O-])sc2C1 ZINC001603434250 973197462 /nfs/dbraw/zinc/19/74/62/973197462.db2.gz OLUABVSRBWDCMR-CWTRNNRKSA-N 0 1 375.494 3.012 20 30 GGEDMN COc1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)cc1OCCCC#N ZINC000565599137 974584998 /nfs/dbraw/zinc/58/49/98/974584998.db2.gz MTXCXYNDNYFTBO-LBPRGKRZSA-N 0 1 375.450 3.383 20 30 GGEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662221973 975903598 /nfs/dbraw/zinc/90/35/98/975903598.db2.gz HSXCNSAJSGZEMH-HNAYVOBHSA-N 0 1 384.501 3.335 20 30 GGEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662221973 975903612 /nfs/dbraw/zinc/90/36/12/975903612.db2.gz HSXCNSAJSGZEMH-HNAYVOBHSA-N 0 1 384.501 3.335 20 30 GGEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662221971 975904331 /nfs/dbraw/zinc/90/43/31/975904331.db2.gz HSXCNSAJSGZEMH-BEFAXECRSA-N 0 1 384.501 3.335 20 30 GGEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662221971 975904345 /nfs/dbraw/zinc/90/43/45/975904345.db2.gz HSXCNSAJSGZEMH-BEFAXECRSA-N 0 1 384.501 3.335 20 30 GGEDMN CC(C)c1[nH]c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1C(=O)[O-] ZINC001591912313 976341615 /nfs/dbraw/zinc/34/16/15/976341615.db2.gz JTRIGOWDGIMWEM-UHFFFAOYSA-N 0 1 380.492 3.416 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001592225720 977412642 /nfs/dbraw/zinc/41/26/42/977412642.db2.gz LQSWPKFAHKTEQQ-QLFBSQMISA-N 0 1 375.494 3.204 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001592225720 977412645 /nfs/dbraw/zinc/41/26/45/977412645.db2.gz LQSWPKFAHKTEQQ-QLFBSQMISA-N 0 1 375.494 3.204 20 30 GGEDMN C[C@H](C[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CC1)C(=O)[O-] ZINC001592226477 977419375 /nfs/dbraw/zinc/41/93/75/977419375.db2.gz ZENIQNLHKUPVIT-KGLIPLIRSA-N 0 1 375.494 3.204 20 30 GGEDMN Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c1C ZINC000832971346 979062700 /nfs/dbraw/zinc/06/27/00/979062700.db2.gz KNINAHKMFGPGHT-UHFFFAOYSA-N 0 1 379.460 3.380 20 30 GGEDMN Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)c1C ZINC000832971346 979062706 /nfs/dbraw/zinc/06/27/06/979062706.db2.gz KNINAHKMFGPGHT-UHFFFAOYSA-N 0 1 379.460 3.380 20 30 GGEDMN C#CCOc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])cc1 ZINC000833366886 979171316 /nfs/dbraw/zinc/17/13/16/979171316.db2.gz KWWGMPDKZMCFGQ-HXUWFJFHSA-N 0 1 395.455 3.290 20 30 GGEDMN CC(=[NH+]Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000835009827 979244579 /nfs/dbraw/zinc/24/45/79/979244579.db2.gz DTBFIJRKRRSOMH-UHFFFAOYSA-N 0 1 375.375 3.336 20 30 GGEDMN C=CCCC[C@H](NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000910916467 982163439 /nfs/dbraw/zinc/16/34/39/982163439.db2.gz WBMUIYGOYBWTBH-LPHOPBHVSA-N 0 1 398.425 3.367 20 30 GGEDMN CC[C@@H](C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(=O)[O-] ZINC001594984003 982792857 /nfs/dbraw/zinc/79/28/57/982792857.db2.gz YDHOXPOZCXZNBP-CHWSQXEVSA-N 0 1 377.510 3.258 20 30 GGEDMN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595885800 982909954 /nfs/dbraw/zinc/90/99/54/982909954.db2.gz HETMLSAMLDTXIZ-UHFFFAOYSA-N 0 1 383.404 3.342 20 30 GGEDMN C#CC[C@H]1CCC[N@H+](Cn2ncc3c2ccc(Br)c3C(=O)[O-])C1 ZINC001588434624 983471452 /nfs/dbraw/zinc/47/14/52/983471452.db2.gz OVVMBWPSJMNAPD-LBPRGKRZSA-N 0 1 376.254 3.190 20 30 GGEDMN C#CC[N@@H+](C)CCCNc1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC001588463650 983491703 /nfs/dbraw/zinc/49/17/03/983491703.db2.gz HQQMEHZOGWIKDD-UHFFFAOYSA-N 0 1 376.254 3.063 20 30 GGEDMN C#CC[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC001588469289 983501352 /nfs/dbraw/zinc/50/13/52/983501352.db2.gz BQISSHZPUYDOAX-GOSISDBHSA-N 0 1 380.400 3.181 20 30 GGEDMN C#CC[N@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC001588469289 983501355 /nfs/dbraw/zinc/50/13/55/983501355.db2.gz BQISSHZPUYDOAX-GOSISDBHSA-N 0 1 380.400 3.181 20 30 GGEDMN C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC001588516904 983563136 /nfs/dbraw/zinc/56/31/36/983563136.db2.gz HLRYXAPKWGKKNX-INIZCTEOSA-N 0 1 383.473 3.297 20 30 GGEDMN C=C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588670067 983817087 /nfs/dbraw/zinc/81/70/87/983817087.db2.gz VETGHELBCDPCEP-GVDBMIGSSA-N 0 1 378.444 3.148 20 30 GGEDMN C=C[C@@H](Sc1nnc([C@@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588715037 983954657 /nfs/dbraw/zinc/95/46/57/983954657.db2.gz SBOZZJDIJLBAPQ-HUUCEWRRSA-N 0 1 376.482 3.020 20 30 GGEDMN CC[N@H+]1CC[C@H]1CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001596415234 984019731 /nfs/dbraw/zinc/01/97/31/984019731.db2.gz HZEHSQBPLOVSOC-FQEVSTJZSA-N 0 1 377.444 3.000 20 30 GGEDMN CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589020861 985009370 /nfs/dbraw/zinc/00/93/70/985009370.db2.gz GJVQOGNDTPKBTF-FOIQADDNSA-N 0 1 383.473 3.071 20 30 GGEDMN Cc1[nH]c(C(=O)[C@@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)c(C)c1C(=O)[O-] ZINC001599946343 985534580 /nfs/dbraw/zinc/53/45/80/985534580.db2.gz SBZRWPFTIKGPRZ-OAHLLOKOSA-N 0 1 394.475 3.349 20 30 GGEDMN Cc1[nH]c(C(=O)[C@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)c(C)c1C(=O)[O-] ZINC001599946342 985534719 /nfs/dbraw/zinc/53/47/19/985534719.db2.gz SBZRWPFTIKGPRZ-HNNXBMFYSA-N 0 1 394.475 3.349 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)c1C#N ZINC001599973111 986042336 /nfs/dbraw/zinc/04/23/36/986042336.db2.gz IPTKQLFQPQTORN-CZUORRHYSA-N 0 1 386.496 3.215 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)c1C#N ZINC001599973111 986042347 /nfs/dbraw/zinc/04/23/47/986042347.db2.gz IPTKQLFQPQTORN-CZUORRHYSA-N 0 1 386.496 3.215 20 30 GGEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC001589331470 986186229 /nfs/dbraw/zinc/18/62/29/986186229.db2.gz FPTYEUKNMXKVSJ-KBPBESRZSA-N 0 1 375.494 3.062 20 30 GGEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001589331532 986187607 /nfs/dbraw/zinc/18/76/07/986187607.db2.gz HNUCHCBDLJWHLH-GJRWTSMGSA-N 0 1 387.505 3.062 20 30 GGEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589341938 986259428 /nfs/dbraw/zinc/25/94/28/986259428.db2.gz RCWDTRIMKCDLRY-OAHLLOKOSA-N 0 1 395.434 3.217 20 30 GGEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589341938 986259436 /nfs/dbraw/zinc/25/94/36/986259436.db2.gz RCWDTRIMKCDLRY-OAHLLOKOSA-N 0 1 395.434 3.217 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589341937 986259676 /nfs/dbraw/zinc/25/96/76/986259676.db2.gz RCWDTRIMKCDLRY-HNNXBMFYSA-N 0 1 395.434 3.217 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589341937 986259685 /nfs/dbraw/zinc/25/96/85/986259685.db2.gz RCWDTRIMKCDLRY-HNNXBMFYSA-N 0 1 395.434 3.217 20 30 GGEDMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CCCCC1(C#N)CCC1)C[C@@H]2C(=O)[O-] ZINC001589948026 988739071 /nfs/dbraw/zinc/73/90/71/988739071.db2.gz JLRRZNWQTBAIBE-MRXNPFEDSA-N 0 1 391.512 3.104 20 30 GGEDMN CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1cccc(C(=O)[O-])c1C#N)CC2 ZINC001589992678 988905323 /nfs/dbraw/zinc/90/53/23/988905323.db2.gz YPBQZLRKSFTVFZ-UHFFFAOYSA-N 0 1 385.464 3.232 20 30 GGEDMN CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](C(=O)[O-])C1 ZINC001590034758 989050323 /nfs/dbraw/zinc/05/03/23/989050323.db2.gz LSQGBBHFBPSZQG-SFHVURJKSA-N 0 1 399.491 3.138 20 30 GGEDMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001599864377 989219615 /nfs/dbraw/zinc/21/96/15/989219615.db2.gz AMGQUPMDQFPRAK-OLMNPRSZSA-N 0 1 387.480 3.167 20 30 GGEDMN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001599866400 989269178 /nfs/dbraw/zinc/26/91/78/989269178.db2.gz LLKTZTJILLQBOX-HUUCEWRRSA-N 0 1 387.480 3.239 20 30 GGEDMN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001590139963 989406503 /nfs/dbraw/zinc/40/65/03/989406503.db2.gz QOWRRRUUGXIGCN-LEUOFYLZSA-N 0 1 385.464 3.062 20 30 GGEDMN CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@H+]2[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001590168343 989488646 /nfs/dbraw/zinc/48/86/46/989488646.db2.gz HHSNRBMCSDILBJ-TUAABQIMSA-N 0 1 399.491 3.453 20 30 GGEDMN C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001599884681 989535838 /nfs/dbraw/zinc/53/58/38/989535838.db2.gz BIPFPCLRYCQUFP-XPNTWCBSSA-N 0 1 375.472 3.138 20 30 GGEDMN C[C@]12CN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001599884681 989535855 /nfs/dbraw/zinc/53/58/55/989535855.db2.gz BIPFPCLRYCQUFP-XPNTWCBSSA-N 0 1 375.472 3.138 20 30 GGEDMN C[C@]12CN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001599884681 989535857 /nfs/dbraw/zinc/53/58/57/989535857.db2.gz BIPFPCLRYCQUFP-XPNTWCBSSA-N 0 1 375.472 3.138 20 30 GGEDMN COc1ccccc1COC1CC[NH+](Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001599712386 991394022 /nfs/dbraw/zinc/39/40/22/991394022.db2.gz CSXTVAINQRHNLO-UHFFFAOYSA-N 0 1 380.444 3.446 20 30 GGEDMN COc1ccccc1NC(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001599715152 991440767 /nfs/dbraw/zinc/44/07/67/991440767.db2.gz LWJUXZFQEABTNA-FXAWDEMLSA-N 0 1 393.443 3.043 20 30 GGEDMN COc1ccccc1NC(=O)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001599715156 991441130 /nfs/dbraw/zinc/44/11/30/991441130.db2.gz LWJUXZFQEABTNA-PXNSSMCTSA-N 0 1 393.443 3.043 20 30 GGEDMN COc1ccccc1NC(=O)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599715797 991451861 /nfs/dbraw/zinc/45/18/61/991451861.db2.gz VOMLXNVXKQYIEG-XLIONFOSSA-N 0 1 393.443 3.043 20 30 GGEDMN COc1ccccc1NC(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599715792 991451982 /nfs/dbraw/zinc/45/19/82/991451982.db2.gz VOMLXNVXKQYIEG-FXAWDEMLSA-N 0 1 393.443 3.043 20 30 GGEDMN C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598436954 991835785 /nfs/dbraw/zinc/83/57/85/991835785.db2.gz LIBWABFXUCWCCX-DOMZBBRYSA-N 0 1 395.278 3.173 20 30 GGEDMN C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598436954 991835796 /nfs/dbraw/zinc/83/57/96/991835796.db2.gz LIBWABFXUCWCCX-DOMZBBRYSA-N 0 1 395.278 3.173 20 30 GGEDMN C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598437022 991837495 /nfs/dbraw/zinc/83/74/95/991837495.db2.gz LYLFMEVLAASUSY-DLBZAZTESA-N 0 1 389.249 3.112 20 30 GGEDMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC001598446874 991883362 /nfs/dbraw/zinc/88/33/62/991883362.db2.gz MEFQGEQHGTYXEQ-KRWDZBQOSA-N 0 1 386.411 3.054 20 30 GGEDMN CC(C)[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cccc(C(=O)[O-])c1C#N ZINC001591591222 992806708 /nfs/dbraw/zinc/80/67/08/992806708.db2.gz QLJLHFYFFRJHFO-UHFFFAOYSA-N 0 1 375.469 3.334 20 30 GGEDMN CC(C)[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cccc(C(=O)[O-])c1C#N ZINC001591591222 992806714 /nfs/dbraw/zinc/80/67/14/992806714.db2.gz QLJLHFYFFRJHFO-UHFFFAOYSA-N 0 1 375.469 3.334 20 30 GGEDMN CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001598547040 992958287 /nfs/dbraw/zinc/95/82/87/992958287.db2.gz OLMUSFOXKSDFKA-OUQXZNHLSA-N 0 1 396.409 3.206 20 30 GGEDMN CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001598547040 992958294 /nfs/dbraw/zinc/95/82/94/992958294.db2.gz OLMUSFOXKSDFKA-OUQXZNHLSA-N 0 1 396.409 3.206 20 30 GGEDMN COc1cccc([C@H](C(=O)[O-])[N@@H+](C)CC[C@@](C#N)(C(C)=O)c2ccccc2)c1 ZINC001599646740 994436071 /nfs/dbraw/zinc/43/60/71/994436071.db2.gz FMHYXICTGAGPSD-IFMALSPDSA-N 0 1 380.444 3.193 20 30 GGEDMN COc1cccc([C@H](O)C2CC[NH+](Cc3cccc(C(=O)[O-])c3C#N)CC2)c1 ZINC001599657998 994611920 /nfs/dbraw/zinc/61/19/20/994611920.db2.gz ARGBDHSJBCWVQM-OAQYLSRUSA-N 0 1 380.444 3.211 20 30 GGEDMN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001598759703 995762971 /nfs/dbraw/zinc/76/29/71/995762971.db2.gz NQNDMGQVYPNFEC-XLIONFOSSA-N 0 1 378.428 3.063 20 30 GGEDMN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001598759703 995762981 /nfs/dbraw/zinc/76/29/81/995762981.db2.gz NQNDMGQVYPNFEC-XLIONFOSSA-N 0 1 378.428 3.063 20 30 GGEDMN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001598759705 995762997 /nfs/dbraw/zinc/76/29/97/995762997.db2.gz NQNDMGQVYPNFEC-YLJYHZDGSA-N 0 1 378.428 3.063 20 30 GGEDMN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001598759705 995763006 /nfs/dbraw/zinc/76/30/06/995763006.db2.gz NQNDMGQVYPNFEC-YLJYHZDGSA-N 0 1 378.428 3.063 20 30 GGEDMN C[C@@H](Oc1ccccc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001593644803 995966171 /nfs/dbraw/zinc/96/61/71/995966171.db2.gz DENHURVKZCZYLC-GOSISDBHSA-N 0 1 393.487 3.118 20 30 GGEDMN C[C@@H](Oc1ccccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001593644803 995966178 /nfs/dbraw/zinc/96/61/78/995966178.db2.gz DENHURVKZCZYLC-GOSISDBHSA-N 0 1 393.487 3.118 20 30 GGEDMN C[C@@H](Oc1ccccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001593644803 995966184 /nfs/dbraw/zinc/96/61/84/995966184.db2.gz DENHURVKZCZYLC-GOSISDBHSA-N 0 1 393.487 3.118 20 30 GGEDMN COc1ccc([C@H](O)C2CC[NH+](Cc3cccc(C(=O)[O-])c3C#N)CC2)cc1 ZINC001599532670 997686052 /nfs/dbraw/zinc/68/60/52/997686052.db2.gz UWCFBBLLLCVTGA-NRFANRHFSA-N 0 1 380.444 3.211 20 30 GGEDMN CO[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@](C)(C(=O)[O-])C1 ZINC001599130723 997938114 /nfs/dbraw/zinc/93/81/14/997938114.db2.gz LISYEYUTUNCOLL-UNMCSNQZSA-N 0 1 378.472 3.450 20 30 GGEDMN COCC[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccc(C#N)cc1 ZINC001599237202 997967121 /nfs/dbraw/zinc/96/71/21/997967121.db2.gz OPOXAHAVNMZBTL-UHFFFAOYSA-N 0 1 388.851 3.437 20 30 GGEDMN COc1cc(OC)cc(OCCC[N@@H+](C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001599453592 998149193 /nfs/dbraw/zinc/14/91/93/998149193.db2.gz MHFGFOMKEXUNKH-FQEVSTJZSA-N 0 1 384.432 3.102 20 30 GGEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001594292507 999128191 /nfs/dbraw/zinc/12/81/91/999128191.db2.gz QIHSAOSOAAOCSC-NVDOGXPFSA-N 0 1 397.519 3.106 20 30 GGEDMN CC(C)[N@@H+](CCC(=O)[O-])CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001594441627 999627450 /nfs/dbraw/zinc/62/74/50/999627450.db2.gz GSLPGROEJQJXAR-ZDUSSCGKSA-N 0 1 377.510 3.258 20 30 GGEDMN COc1ccccc1C[C@](C)(CO)NCc1ccc(C#N)cc1Br ZINC001648162502 1126250306 /nfs/dbraw/zinc/25/03/06/1126250306.db2.gz XJTYXWHZGGHUAY-LJQANCHMSA-N 0 1 389.293 3.413 20 30 GGEDMN Cc1cccc(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000039935295 205044572 /nfs/dbraw/zinc/04/45/72/205044572.db2.gz IDCZRAANIUQIKM-UHFFFAOYSA-N 0 1 376.504 3.322 20 30 GGEDMN COc1ccc(C)cc1CN1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000040025018 205047176 /nfs/dbraw/zinc/04/71/76/205047176.db2.gz OMIPULYIBFMHKZ-UHFFFAOYSA-N 0 1 392.503 3.022 20 30 GGEDMN CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000225414077 206045197 /nfs/dbraw/zinc/04/51/97/206045197.db2.gz XWBUZXZSOAHAAL-OAHLLOKOSA-N 0 1 396.466 3.036 20 30 GGEDMN CC(C)(CN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000115597101 564196280 /nfs/dbraw/zinc/19/62/80/564196280.db2.gz ZONSNVLDZAKESC-QGZVFWFLSA-N 0 1 386.293 3.415 20 30 GGEDMN CN(CC#N)C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000116585185 564213283 /nfs/dbraw/zinc/21/32/83/564213283.db2.gz IRKRWZYNNWMAME-UHFFFAOYSA-N 0 1 398.271 3.390 20 30 GGEDMN COc1ccc([C@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)cc1Br ZINC000007879423 564242763 /nfs/dbraw/zinc/24/27/63/564242763.db2.gz RIGAVFXREXVDTC-YVEFUNNKSA-N 0 1 382.302 3.163 20 30 GGEDMN CN1CCN(c2ccc(Br)cc2NC(=O)c2ccc(C#N)cc2)CC1 ZINC000021843168 564312292 /nfs/dbraw/zinc/31/22/92/564312292.db2.gz HVCVJLABVVIMIS-UHFFFAOYSA-N 0 1 399.292 3.325 20 30 GGEDMN N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000120751680 564335977 /nfs/dbraw/zinc/33/59/77/564335977.db2.gz QGQYEVYJTNACFR-UHFFFAOYSA-N 0 1 398.220 3.123 20 30 GGEDMN CN(Cc1ccc(Br)s1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025230288 564336444 /nfs/dbraw/zinc/33/64/44/564336444.db2.gz IAUTVDLTACFCLX-CQSZACIVSA-N 0 1 395.322 3.448 20 30 GGEDMN N#CCSCCCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120996447 564347212 /nfs/dbraw/zinc/34/72/12/564347212.db2.gz AKMINHLSJPBEBZ-KRWDZBQOSA-N 0 1 393.354 3.278 20 30 GGEDMN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000028493035 564363491 /nfs/dbraw/zinc/36/34/91/564363491.db2.gz VKXBRJREMBZIBY-UHFFFAOYSA-N 0 1 380.853 3.065 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)NCc2cc(Br)cs2)c(F)c1 ZINC000124281096 564477165 /nfs/dbraw/zinc/47/71/65/564477165.db2.gz RQBOHXZOLPHNJH-UHFFFAOYSA-N 0 1 393.234 3.139 20 30 GGEDMN Cc1cc(I)ccc1NS(=O)(=O)c1ccccc1C#N ZINC000047367396 564518648 /nfs/dbraw/zinc/51/86/48/564518648.db2.gz LHYWFKURORKKEM-UHFFFAOYSA-N 0 1 398.225 3.272 20 30 GGEDMN C=CCOc1c(Br)cc(CN(C)CCN2CCCC2=O)cc1OC ZINC000127265533 564579337 /nfs/dbraw/zinc/57/93/37/564579337.db2.gz INHQYUTYCUAUFY-UHFFFAOYSA-N 0 1 397.313 3.077 20 30 GGEDMN CN(Cc1csc(Br)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000053358255 564586255 /nfs/dbraw/zinc/58/62/55/564586255.db2.gz GAIODLXAVPRTOE-AWEZNQCLSA-N 0 1 381.295 3.254 20 30 GGEDMN N#Cc1cccc(CNCc2ccc(Br)cc2N2CCOCC2)c1 ZINC000128326578 564615112 /nfs/dbraw/zinc/61/51/12/564615112.db2.gz XNVIYAQCWVCFSY-UHFFFAOYSA-N 0 1 386.293 3.447 20 30 GGEDMN CC(=O)Nc1ccc(NS(=O)(=O)c2c(F)cc(C#N)cc2F)c(Cl)c1 ZINC000129875540 564663047 /nfs/dbraw/zinc/66/30/47/564663047.db2.gz KFHQNCZRISXQMD-UHFFFAOYSA-N 0 1 385.779 3.249 20 30 GGEDMN CC(C)[C@](C)(C#N)NC(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000130738898 564691022 /nfs/dbraw/zinc/69/10/22/564691022.db2.gz MBGNBHJQNWNFEM-KRWDZBQOSA-N 0 1 378.314 3.472 20 30 GGEDMN CN(Cc1csc(Br)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000066484057 564766909 /nfs/dbraw/zinc/76/69/09/564766909.db2.gz NALDGSPHTXWPIT-OAHLLOKOSA-N 0 1 395.322 3.448 20 30 GGEDMN CN1CCC(C#N)(NC(=O)CCCCOc2ccc(Br)cc2)CC1 ZINC000066621000 564770960 /nfs/dbraw/zinc/77/09/60/564770960.db2.gz LDTUNVLSUBFQAH-UHFFFAOYSA-N 0 1 394.313 3.102 20 30 GGEDMN N#Cc1ccc(N2CCC([NH2+]Cc3cc(Br)ccc3[O-])CC2)nc1 ZINC000067010980 564781530 /nfs/dbraw/zinc/78/15/30/564781530.db2.gz NZABLRUILTZYJD-UHFFFAOYSA-N 0 1 387.281 3.180 20 30 GGEDMN CCN(C[C@@H](C)C#N)C(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000069010056 564831730 /nfs/dbraw/zinc/83/17/30/564831730.db2.gz GFBBDIPROYPOBF-AWEZNQCLSA-N 0 1 378.314 3.426 20 30 GGEDMN Cc1csc(C(C#N)C(=O)c2ccc(Br)cc2-n2cncn2)n1 ZINC000136094408 564844421 /nfs/dbraw/zinc/84/44/21/564844421.db2.gz BUFPUWSWSQKLRV-LBPRGKRZSA-N 0 1 388.250 3.285 20 30 GGEDMN Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c1C#N ZINC000137263880 564861121 /nfs/dbraw/zinc/86/11/21/564861121.db2.gz JRYOMJHOJMZFRA-UHFFFAOYSA-N 0 1 377.853 3.023 20 30 GGEDMN N#CCCCOc1cccnc1NC(=O)c1ccc(Br)cc1O ZINC000094092592 564896504 /nfs/dbraw/zinc/89/65/04/564896504.db2.gz HESMNKGLKXGNMM-UHFFFAOYSA-N 0 1 376.210 3.485 20 30 GGEDMN N#Cc1ccc([C@H](NCCc2cc(Cl)ccc2Br)C(N)=O)cc1 ZINC000152438724 564958755 /nfs/dbraw/zinc/95/87/55/564958755.db2.gz DIOSSWBCPGXWCV-INIZCTEOSA-N 0 1 392.684 3.333 20 30 GGEDMN CC(C)[C@@](C)(C#N)NC(=O)CN(C)CC1(c2ccc(Br)cc2)CC1 ZINC000152612548 564965567 /nfs/dbraw/zinc/96/55/67/564965567.db2.gz WZEMPQANLDDYHJ-GOSISDBHSA-N 0 1 392.341 3.467 20 30 GGEDMN N#Cc1ccc([C@H](NCC2(c3ccccc3Br)CC2)C(N)=O)cc1 ZINC000153624514 565004081 /nfs/dbraw/zinc/00/40/81/565004081.db2.gz CJZFROPUPSWJEH-KRWDZBQOSA-N 0 1 384.277 3.169 20 30 GGEDMN CSc1ccc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)cn1 ZINC000154008232 565022073 /nfs/dbraw/zinc/02/20/73/565022073.db2.gz VYMAFRPKDALTCV-UHFFFAOYSA-N 0 1 384.280 3.238 20 30 GGEDMN COc1cc(OC)c(NS(=O)(=O)c2cccc(C#N)c2)cc1Br ZINC000156052718 565074513 /nfs/dbraw/zinc/07/45/13/565074513.db2.gz JRCBBVCZWSZNRS-UHFFFAOYSA-N 0 1 397.250 3.139 20 30 GGEDMN C#CCN1CCC(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000157166079 565120912 /nfs/dbraw/zinc/12/09/12/565120912.db2.gz DWVVOCDSFBBHTK-UHFFFAOYSA-N 0 1 383.319 3.050 20 30 GGEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C)c(Br)c1 ZINC000184792615 565156276 /nfs/dbraw/zinc/15/62/76/565156276.db2.gz GCBMNFWQZRFKEL-UHFFFAOYSA-N 0 1 381.251 3.439 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c(F)c1 ZINC000158129029 565157261 /nfs/dbraw/zinc/15/72/61/565157261.db2.gz WXSMQMIJIIJGRV-UHFFFAOYSA-N 0 1 376.800 3.337 20 30 GGEDMN N#Cc1cc(Br)ccc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000294495901 565214511 /nfs/dbraw/zinc/21/45/11/565214511.db2.gz OWYPVDXMASHCMN-UHFFFAOYSA-N 0 1 399.292 3.110 20 30 GGEDMN Cc1cc(C)c(S(=O)(=O)Nc2cc(C#N)c(Br)cn2)c(C)c1 ZINC000185657485 565214826 /nfs/dbraw/zinc/21/48/26/565214826.db2.gz GEBJNFACLQZAQK-UHFFFAOYSA-N 0 1 380.267 3.442 20 30 GGEDMN N#Cc1cc(Br)ccc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000294630104 565221610 /nfs/dbraw/zinc/22/16/10/565221610.db2.gz YOLXODXUOCMZPW-UHFFFAOYSA-N 0 1 399.292 3.110 20 30 GGEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C)cc(Br)c1 ZINC000185975564 565232612 /nfs/dbraw/zinc/23/26/12/565232612.db2.gz XAUNQJPEEKRCST-UHFFFAOYSA-N 0 1 381.251 3.439 20 30 GGEDMN Cn1cc([C@H](O)C[C@H]2CCCN2Cc2cc(C#N)ccc2Br)cn1 ZINC000372810724 565255493 /nfs/dbraw/zinc/25/54/93/565255493.db2.gz WCFBNTFNOOIMST-SJLPKXTDSA-N 0 1 389.297 3.142 20 30 GGEDMN Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2cc(C#N)ccc2Br)cn1 ZINC000372810725 565255830 /nfs/dbraw/zinc/25/58/30/565255830.db2.gz WCFBNTFNOOIMST-WMZOPIPTSA-N 0 1 389.297 3.142 20 30 GGEDMN Cc1sc(NC(=O)CN[C@@H](C)c2ccc([S@](C)=O)cc2)c(C#N)c1C ZINC000271709537 565264818 /nfs/dbraw/zinc/26/48/18/565264818.db2.gz AOFVCQUESITGFT-VDBVYFBLSA-N 0 1 375.519 3.263 20 30 GGEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCSC2(CCOCC2)C1 ZINC000186842466 565290584 /nfs/dbraw/zinc/29/05/84/565290584.db2.gz UYGLQYOMTDVLQD-INIZCTEOSA-N 0 1 380.579 3.249 20 30 GGEDMN C#CCSCCN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272588948 565291203 /nfs/dbraw/zinc/29/12/03/565291203.db2.gz HPLJFZQFPLNJFQ-IBGZPJMESA-N 0 1 377.506 3.275 20 30 GGEDMN Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186946959 565297811 /nfs/dbraw/zinc/29/78/11/565297811.db2.gz ODVUKNANTRDPSY-UHFFFAOYSA-N 0 1 377.853 3.023 20 30 GGEDMN COCCOc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c(C)c1 ZINC000186958149 565297862 /nfs/dbraw/zinc/29/78/62/565297862.db2.gz DCLSDPPLTCOQLM-UHFFFAOYSA-N 0 1 380.853 3.346 20 30 GGEDMN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186993492 565300245 /nfs/dbraw/zinc/30/02/45/565300245.db2.gz RENBCMUNIKLWKR-QHCPKHFHSA-N 0 1 382.894 3.199 20 30 GGEDMN C=CCS(=O)(=O)CCN[C@@H]1CCSc2ccc(Br)cc21 ZINC000272887854 565301409 /nfs/dbraw/zinc/30/14/09/565301409.db2.gz RYRKODSSELMDFR-CYBMUJFWSA-N 0 1 376.341 3.176 20 30 GGEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(n2cc(Br)cn2)CC1 ZINC000374011457 565315425 /nfs/dbraw/zinc/31/54/25/565315425.db2.gz XZYFIGFSBHUDMM-AWEZNQCLSA-N 0 1 383.334 3.096 20 30 GGEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(n2cc(Br)cn2)CC1 ZINC000374011458 565315448 /nfs/dbraw/zinc/31/54/48/565315448.db2.gz XZYFIGFSBHUDMM-CQSZACIVSA-N 0 1 383.334 3.096 20 30 GGEDMN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000188900544 565431392 /nfs/dbraw/zinc/43/13/92/565431392.db2.gz SBSJLDHBWJTKSF-GFCCVEGCSA-N 0 1 380.853 3.426 20 30 GGEDMN COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000189074847 565442087 /nfs/dbraw/zinc/44/20/87/565442087.db2.gz FTFHXLPHYLNFQM-GFCCVEGCSA-N 0 1 380.853 3.426 20 30 GGEDMN C=CCN1CCC(Nc2ncc(Cn3cc(Br)cn3)s2)CC1 ZINC000276435519 565449333 /nfs/dbraw/zinc/44/93/33/565449333.db2.gz JZJQVTLDCWMQFV-UHFFFAOYSA-N 0 1 382.331 3.213 20 30 GGEDMN C#CCCOc1ccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000276994731 565470128 /nfs/dbraw/zinc/47/01/28/565470128.db2.gz IVVOFLHHYUSFAV-UHFFFAOYSA-N 0 1 377.893 3.435 20 30 GGEDMN C[C@@H](c1ccc(C#N)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000172395264 565483585 /nfs/dbraw/zinc/48/35/85/565483585.db2.gz BYTDQHNTYZYQOK-AWEZNQCLSA-N 0 1 375.519 3.124 20 30 GGEDMN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC000189799551 565490104 /nfs/dbraw/zinc/49/01/04/565490104.db2.gz XVJUYHDHSFVJTH-ROUUACIJSA-N 0 1 378.314 3.200 20 30 GGEDMN O=C(NCC(F)(F)F)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000278083416 565538980 /nfs/dbraw/zinc/53/89/80/565538980.db2.gz UYMKVPMDDGOWSF-UHFFFAOYSA-N 0 1 382.182 3.341 20 30 GGEDMN C#CCN1CCC(c2nc(-c3ccc(Br)cc3OC)no2)CC1 ZINC000278149407 565543034 /nfs/dbraw/zinc/54/30/34/565543034.db2.gz RLHMGDZELIFPLD-UHFFFAOYSA-N 0 1 376.254 3.320 20 30 GGEDMN C[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)N(C)Cc1ccccc1 ZINC000390758681 565557429 /nfs/dbraw/zinc/55/74/29/565557429.db2.gz KHXWOVRTZRGEAN-CQSZACIVSA-N 0 1 377.897 3.010 20 30 GGEDMN COc1cc(Br)c(NC(=O)c2ccc(C#N)c(O)c2)cc1OC ZINC000190961846 565574040 /nfs/dbraw/zinc/57/40/40/565574040.db2.gz AVHSMUZLNFYDQC-UHFFFAOYSA-N 0 1 377.194 3.296 20 30 GGEDMN CC(C)(C#N)c1ccc(NS(=O)(=O)c2cncc(Br)c2)cc1 ZINC000314919948 565588945 /nfs/dbraw/zinc/58/89/45/565588945.db2.gz JFUQVXFOVHDPOP-UHFFFAOYSA-N 0 1 380.267 3.446 20 30 GGEDMN C[C@@H](c1nc(-c2cccs2)no1)N1CCN(CCCSCC#N)CC1 ZINC000173893145 565596882 /nfs/dbraw/zinc/59/68/82/565596882.db2.gz FNJGOXPGXSWSCF-AWEZNQCLSA-N 0 1 377.539 3.124 20 30 GGEDMN CCCCNC(=O)[C@@H]1CCCN(Cc2cc(C#N)ccc2Br)C1 ZINC000191779464 565630739 /nfs/dbraw/zinc/63/07/39/565630739.db2.gz RECMVLXQAYRAOE-OAHLLOKOSA-N 0 1 378.314 3.449 20 30 GGEDMN Cc1n[nH]c(CCNC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)n1 ZINC000328672606 565637992 /nfs/dbraw/zinc/63/79/92/565637992.db2.gz OKFHAZQSKKSPAD-WMLDXEAASA-N 0 1 375.270 3.279 20 30 GGEDMN CC1=CCN(CCNC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000329108794 565654780 /nfs/dbraw/zinc/65/47/80/565654780.db2.gz PSJLNJZIKQCXNT-UHFFFAOYSA-N 0 1 395.297 3.371 20 30 GGEDMN CN1CC[C@H](N2CCC(NC(=O)Cc3c(Cl)cccc3Cl)CC2)C1=O ZINC000329157986 565656806 /nfs/dbraw/zinc/65/68/06/565656806.db2.gz DITLAFDDBFSTHX-INIZCTEOSA-N 0 1 384.307 3.188 20 30 GGEDMN CN1CC[C@H](N2CCC(NC(=O)Cc3ccc(Cl)cc3Cl)CC2)C1=O ZINC000329160325 565657291 /nfs/dbraw/zinc/65/72/91/565657291.db2.gz FDMSRLVKWWNENV-INIZCTEOSA-N 0 1 384.307 3.188 20 30 GGEDMN N#Cc1ccsc1NC(=O)CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192088426 565657494 /nfs/dbraw/zinc/65/74/94/565657494.db2.gz ZDISAVKMJDDHMG-HOCLYGCPSA-N 0 1 379.844 3.471 20 30 GGEDMN N#Cc1ccsc1NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192088422 565657701 /nfs/dbraw/zinc/65/77/01/565657701.db2.gz ZDISAVKMJDDHMG-GOEBONIOSA-N 0 1 379.844 3.471 20 30 GGEDMN Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1CCc3c[nH]nc3C1)CC2 ZINC000329257344 565660533 /nfs/dbraw/zinc/66/05/33/565660533.db2.gz DBZLQKMTDSPTGE-HNNXBMFYSA-N 0 1 389.297 3.310 20 30 GGEDMN Cc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c1Cl ZINC000192129927 565661511 /nfs/dbraw/zinc/66/15/11/565661511.db2.gz OIRJUFNXKOVLEP-GFCCVEGCSA-N 0 1 398.893 3.135 20 30 GGEDMN C[C@@H]1CN(C[C@H]2CCCN2C([O-])=[NH+]c2nc3ccsc3s2)C[C@H](C)O1 ZINC000329408242 565665352 /nfs/dbraw/zinc/66/53/52/565665352.db2.gz DCOGVEAATXFAIC-FRRDWIJNSA-N 0 1 380.539 3.477 20 30 GGEDMN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCN(C2CCC2)CC1 ZINC000329428459 565665416 /nfs/dbraw/zinc/66/54/16/565665416.db2.gz JOLOVGJNELENJY-LBPRGKRZSA-N 0 1 384.307 3.383 20 30 GGEDMN C[C@@H]1CN(C[C@@H]2CCCN2C([O-])=[NH+]c2nc3ccsc3s2)C[C@H](C)O1 ZINC000329408249 565665899 /nfs/dbraw/zinc/66/58/99/565665899.db2.gz DCOGVEAATXFAIC-XQQFMLRXSA-N 0 1 380.539 3.477 20 30 GGEDMN CN1CC[C@H](N2CCC(NC(=O)CSc3ccccc3Cl)CC2)C1=O ZINC000329627810 565673697 /nfs/dbraw/zinc/67/36/97/565673697.db2.gz HAUOWMQUCSNJDD-HNNXBMFYSA-N 0 1 381.929 3.084 20 30 GGEDMN CN(CCn1cc(Br)cn1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000329670830 565675598 /nfs/dbraw/zinc/67/55/98/565675598.db2.gz RWHDTNKSBUKTPM-OAHLLOKOSA-N 0 1 399.333 3.373 20 30 GGEDMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000410338487 565677541 /nfs/dbraw/zinc/67/75/41/565677541.db2.gz SUZCWEJYSOFHSE-UHFFFAOYSA-N 0 1 390.364 3.226 20 30 GGEDMN OC[C@H](NCCOCC(F)(F)C(F)F)c1ccccc1OC(F)(F)F ZINC000280554387 565680309 /nfs/dbraw/zinc/68/03/09/565680309.db2.gz QRVNGGCOARITDO-JTQLQIEISA-N 0 1 379.272 3.125 20 30 GGEDMN N#CC1(CS(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)CCCCC1 ZINC000329994127 565688646 /nfs/dbraw/zinc/68/86/46/565688646.db2.gz LXKIICXQQCSMBH-MRXNPFEDSA-N 0 1 381.567 3.278 20 30 GGEDMN Cc1cc(NC(=O)CNC(=O)[C@@H]2CCCN2C2CC2)ccc1Br ZINC000330216164 565696839 /nfs/dbraw/zinc/69/68/39/565696839.db2.gz HNJLRVWQQKQHCK-HNNXBMFYSA-N 0 1 380.286 3.279 20 30 GGEDMN Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1CCn3ccnc3C1)CC2 ZINC000330201128 565697191 /nfs/dbraw/zinc/69/71/91/565697191.db2.gz XIFQHQYXYIDPAW-HNNXBMFYSA-N 0 1 389.297 3.241 20 30 GGEDMN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000330202934 565697543 /nfs/dbraw/zinc/69/75/43/565697543.db2.gz ZZKTZPRELMIADS-MLGOLLRUSA-N 0 1 389.297 3.321 20 30 GGEDMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000330256756 565699729 /nfs/dbraw/zinc/69/97/29/565699729.db2.gz KXERKIWTLGJXJR-TZMCWYRMSA-N 0 1 385.961 3.470 20 30 GGEDMN Cc1c(Br)cccc1NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000330465647 565708028 /nfs/dbraw/zinc/70/80/28/565708028.db2.gz WSMLPJDFPQOBQX-AWEZNQCLSA-N 0 1 384.318 3.440 20 30 GGEDMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)[C@H](C)C1 ZINC000330555475 565712605 /nfs/dbraw/zinc/71/26/05/565712605.db2.gz GXDLQLBRHFUBAD-MNOVXSKESA-N 0 1 390.709 3.035 20 30 GGEDMN C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@H](c1ccccc1)N(C)C ZINC000192863424 565714948 /nfs/dbraw/zinc/71/49/48/565714948.db2.gz KQXNBUXHOKKFCS-SCLBCKFNSA-N 0 1 377.897 3.181 20 30 GGEDMN C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@H](c1ccccc1)N(C)C ZINC000192863437 565715266 /nfs/dbraw/zinc/71/52/66/565715266.db2.gz KQXNBUXHOKKFCS-FZKQIMNGSA-N 0 1 377.897 3.181 20 30 GGEDMN COc1cc(Br)c(NC(=O)N2CCN(C)[C@@H](C)[C@H]2C)cc1OC ZINC000330720661 565720418 /nfs/dbraw/zinc/72/04/18/565720418.db2.gz XCIMQAFUPNGZJP-WDEREUQCSA-N 0 1 386.290 3.036 20 30 GGEDMN C=CCOc1c(Br)cc(CN[C@@H](C)C(=O)N2CCCC2)cc1OC ZINC000281383710 565726585 /nfs/dbraw/zinc/72/65/85/565726585.db2.gz OMLJLBWCNLCZBP-ZDUSSCGKSA-N 0 1 397.313 3.123 20 30 GGEDMN COc1cc(NC(=O)N2CCN(C)[C@@H](C)[C@@H]2C)cc(OC)c1Br ZINC000330883731 565727011 /nfs/dbraw/zinc/72/70/11/565727011.db2.gz KBDZKUWWYHMTBL-QWRGUYRKSA-N 0 1 386.290 3.036 20 30 GGEDMN CC[C@@H]1CN(C(=O)Nc2cccc(C)c2Br)CCN1C[C@H](C)O ZINC000330943905 565731210 /nfs/dbraw/zinc/73/12/10/565731210.db2.gz FVWMURBWWYXWDF-UONOGXRCSA-N 0 1 384.318 3.080 20 30 GGEDMN CC[C@H]1CCCC[N@H+]1CC/N=C(/[O-])c1cc(Br)c(C)n(C)c1=O ZINC000330939919 565731326 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/nfs/dbraw/zinc/75/92/24/566759224.db2.gz LPYKGOYNAVBVNJ-UHFFFAOYSA-N 0 1 396.266 3.224 20 30 GGEDMN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC(CC#N)CC1 ZINC000541948633 566761294 /nfs/dbraw/zinc/76/12/94/566761294.db2.gz MBERCIUSRUNSIT-CQSZACIVSA-N 0 1 378.314 3.422 20 30 GGEDMN CN1CCC(C#N)(NC(=O)CCCSc2ccc(Br)cc2)CC1 ZINC000609391860 566763810 /nfs/dbraw/zinc/76/38/10/566763810.db2.gz HJJOMMPBWBDTTF-UHFFFAOYSA-N 0 1 396.354 3.426 20 30 GGEDMN CC(=O)c1cccc(NS(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000516495433 566764902 /nfs/dbraw/zinc/76/49/02/566764902.db2.gz FGYKZIDPQYUPSR-UHFFFAOYSA-N 0 1 379.235 3.324 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1Cl ZINC000609495027 566766819 /nfs/dbraw/zinc/76/68/19/566766819.db2.gz CYOQNQCHAGHLML-UHFFFAOYSA-N 0 1 381.244 3.220 20 30 GGEDMN C=CCCCS(=O)(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000489494846 566792211 /nfs/dbraw/zinc/79/22/11/566792211.db2.gz AZPBOTWYVVNGIP-UHFFFAOYSA-N 0 1 386.945 3.069 20 30 GGEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(Br)cc2C#N)n[nH]1 ZINC000451368008 566804817 /nfs/dbraw/zinc/80/48/17/566804817.db2.gz NKTSLLWGUMQBNT-VHSXEESVSA-N 0 1 376.258 3.443 20 30 GGEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(Br)cc2C#N)n[nH]1 ZINC000451368006 566805704 /nfs/dbraw/zinc/80/57/04/566805704.db2.gz NKTSLLWGUMQBNT-NXEZZACHSA-N 0 1 376.258 3.443 20 30 GGEDMN C[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451396679 566811010 /nfs/dbraw/zinc/81/10/10/566811010.db2.gz BEKDBWNNUDRTGK-LURJTMIESA-N 0 1 389.168 3.079 20 30 GGEDMN C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451396687 566811143 /nfs/dbraw/zinc/81/11/43/566811143.db2.gz BEKDBWNNUDRTGK-ZCFIWIBFSA-N 0 1 389.168 3.079 20 30 GGEDMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1 ZINC000451452151 566820963 /nfs/dbraw/zinc/82/09/63/566820963.db2.gz GUFLDHWCNZLZFQ-GHMZBOCLSA-N 0 1 381.889 3.077 20 30 GGEDMN C[C@@H](Sc1ccc(Br)cc1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000517581179 566833110 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30 GGEDMN C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(Br)c2)n[nH]c1=O ZINC000470816767 566906324 /nfs/dbraw/zinc/90/63/24/566906324.db2.gz KUNKPGNJTBZAGI-VIFPVBQESA-N 0 1 383.271 3.052 20 30 GGEDMN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)n[nH]c1=O ZINC000470822995 566906814 /nfs/dbraw/zinc/90/68/14/566906814.db2.gz WCSWIHRHXPHEES-VIFPVBQESA-N 0 1 383.271 3.052 20 30 GGEDMN Cc1c(Br)cc(C(=O)C(C#N)c2nc3ccccc3o2)c(=O)n1C ZINC000519303180 566930717 /nfs/dbraw/zinc/93/07/17/566930717.db2.gz TXWISJOQYQALLD-NSHDSACASA-N 0 1 386.205 3.088 20 30 GGEDMN CN1CCN(c2ccc(CNc3cccc(Br)c3C#N)cn2)CC1 ZINC000519491260 566943352 /nfs/dbraw/zinc/94/33/52/566943352.db2.gz JUWXSDHSOYGQJZ-UHFFFAOYSA-N 0 1 386.297 3.080 20 30 GGEDMN CN(CCC#N)C(=O)CCN1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430239020 567001516 /nfs/dbraw/zinc/00/15/16/567001516.db2.gz AEVZKILYPSPUHB-INIZCTEOSA-N 0 1 382.277 3.487 20 30 GGEDMN CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430239022 567002451 /nfs/dbraw/zinc/00/24/51/567002451.db2.gz 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ZINC000456370647 567367173 /nfs/dbraw/zinc/36/71/73/567367173.db2.gz MKVAUDUPCHNDMF-CYBMUJFWSA-N 0 1 379.302 3.222 20 30 GGEDMN C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)CC(C)(C)C#N ZINC000456370948 567367244 /nfs/dbraw/zinc/36/72/44/567367244.db2.gz MXCSZFLRKAFGKG-ZDUSSCGKSA-N 0 1 393.329 3.468 20 30 GGEDMN C=CCCO[C@H](C)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000501225919 567373517 /nfs/dbraw/zinc/37/35/17/567373517.db2.gz HMMOOOOBRKCWCX-CQSZACIVSA-N 0 1 396.329 3.121 20 30 GGEDMN CC(C)n1cc(C#N)c(=NC(=O)c2ccc(Br)c3c2OCCC3)[nH]1 ZINC000569177637 567385693 /nfs/dbraw/zinc/38/56/93/567385693.db2.gz YDFANYOGQUJWBW-UHFFFAOYSA-N 0 1 389.253 3.097 20 30 GGEDMN Cn1cc(C#N)c(=NC(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)[nH]1 ZINC000618462210 567390987 /nfs/dbraw/zinc/39/09/87/567390987.db2.gz ADVNXPRHKUCGHY-UHFFFAOYSA-N 0 1 378.263 3.264 20 30 GGEDMN CC(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2C#N)cc1 ZINC000549721377 567406027 /nfs/dbraw/zinc/40/60/27/567406027.db2.gz UXRTVYJNXRURMV-UHFFFAOYSA-N 0 1 379.235 3.324 20 30 GGEDMN N#Cc1cccc(CN2CCC(NC(=O)c3ccoc3Br)CC2)c1 ZINC000593350746 567408726 /nfs/dbraw/zinc/40/87/26/567408726.db2.gz FSKOPIHLRAHCBU-UHFFFAOYSA-N 0 1 388.265 3.308 20 30 GGEDMN N#Cc1cccc(CN2CCC(NC(=O)c3ncccc3Br)CC2)c1 ZINC000593351592 567408807 /nfs/dbraw/zinc/40/88/07/567408807.db2.gz NCSNXHLOOQSTBC-UHFFFAOYSA-N 0 1 399.292 3.110 20 30 GGEDMN N#Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000618715588 567409056 /nfs/dbraw/zinc/40/90/56/567409056.db2.gz HYVOORAMSNBGHY-AWEZNQCLSA-N 0 1 377.809 3.086 20 30 GGEDMN COc1ccc([C@H](C)NCc2cnc3c(C#N)cnn3c2)cc1Br ZINC000549764821 567408985 /nfs/dbraw/zinc/40/89/85/567408985.db2.gz UMKWDXUXPCFGAX-NSHDSACASA-N 0 1 386.253 3.223 20 30 GGEDMN N#Cc1cccc(CN2CCC(NC(=O)c3cncc(Br)c3)CC2)c1 ZINC000593353199 567409277 /nfs/dbraw/zinc/40/92/77/567409277.db2.gz PVASVUPEACNXLY-UHFFFAOYSA-N 0 1 399.292 3.110 20 30 GGEDMN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)CN1CCOCC1 ZINC000502028604 567416017 /nfs/dbraw/zinc/41/60/17/567416017.db2.gz ARQMOCKQSMYLEK-AWEZNQCLSA-N 0 1 399.304 3.071 20 30 GGEDMN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)CN1CCOCC1 ZINC000502028605 567416090 /nfs/dbraw/zinc/41/60/90/567416090.db2.gz ARQMOCKQSMYLEK-CQSZACIVSA-N 0 1 399.304 3.071 20 30 GGEDMN N#Cc1ccc2c(c1)N(C(=O)c1cc(=O)c3cc(Br)ccc3[nH]1)CC2 ZINC000550523421 567451654 /nfs/dbraw/zinc/45/16/54/567451654.db2.gz PPWGVATUOAGSPU-UHFFFAOYSA-N 0 1 394.228 3.365 20 30 GGEDMN N#Cc1ccc(O[C@@H]2CCN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)nc1 ZINC000436868540 567461636 /nfs/dbraw/zinc/46/16/36/567461636.db2.gz IGEXZBNMQLEERC-GFCCVEGCSA-N 0 1 378.215 3.259 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2cccnc2N2CCCCC2)cc1Cl ZINC000479125848 567506566 /nfs/dbraw/zinc/50/65/66/567506566.db2.gz FFKSGFVLABTZBN-UHFFFAOYSA-N 0 1 376.869 3.398 20 30 GGEDMN C[C@H]1CCC[C@@](C#N)(NS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000479152658 567509727 /nfs/dbraw/zinc/50/97/27/567509727.db2.gz GZCSALPTYKPGNE-LKFCYVNXSA-N 0 1 393.253 3.478 20 30 GGEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000551716229 567531622 /nfs/dbraw/zinc/53/16/22/567531622.db2.gz QMLZOERTPVVPDD-CXAGYDPISA-N 0 1 378.314 3.474 20 30 GGEDMN CCOC(=O)Cc1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479494733 567540038 /nfs/dbraw/zinc/54/00/38/567540038.db2.gz CWPSIKBUFNVLHA-UHFFFAOYSA-N 0 1 378.837 3.118 20 30 GGEDMN C[S@](=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000438765127 567542881 /nfs/dbraw/zinc/54/28/81/567542881.db2.gz HIORHWPPELIOHJ-DEOSSOPVSA-N 0 1 388.392 3.115 20 30 GGEDMN C[S@@](=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000438765128 567543887 /nfs/dbraw/zinc/54/38/87/567543887.db2.gz HIORHWPPELIOHJ-XMMPIXPASA-N 0 1 388.392 3.115 20 30 GGEDMN N#Cc1ccc(CN2CCCN(Cc3ncsc3Br)CC2)cc1 ZINC000595289218 567552038 /nfs/dbraw/zinc/55/20/38/567552038.db2.gz NSANVLPFOHGBKA-UHFFFAOYSA-N 0 1 391.338 3.485 20 30 GGEDMN N#Cc1ccc(CCN(CCO)Cc2cc(Br)ccc2F)cc1 ZINC000595305992 567552739 /nfs/dbraw/zinc/55/27/39/567552739.db2.gz FPTMXMPPRDMYJA-UHFFFAOYSA-N 0 1 377.257 3.497 20 30 GGEDMN Cc1cc(Br)c(CN(C)CCCc2[nH]nc(N)c2C#N)cc1Cl ZINC000595397087 567561806 /nfs/dbraw/zinc/56/18/06/567561806.db2.gz HYDYDQQIZKRMKP-UHFFFAOYSA-N 0 1 396.720 3.483 20 30 GGEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(Br)cc(Br)c1 ZINC000530142742 567573946 /nfs/dbraw/zinc/57/39/46/567573946.db2.gz CHLWPQFZWPAVNX-JTQLQIEISA-N 0 1 382.077 3.255 20 30 GGEDMN Cn1cc(CN[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1C#N ZINC000480287191 567594634 /nfs/dbraw/zinc/59/46/34/567594634.db2.gz FUBIMFIWKQZZRJ-INIZCTEOSA-N 0 1 377.275 3.489 20 30 GGEDMN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H](c1ccccc1)N(C)C ZINC000480904648 567641132 /nfs/dbraw/zinc/64/11/32/567641132.db2.gz YCMLIAZHKHLBNA-SCLBCKFNSA-N 0 1 377.897 3.181 20 30 GGEDMN COc1ccc(NS(=O)(=O)c2cccc(C)c2C#N)cc1Br ZINC000440838223 567645801 /nfs/dbraw/zinc/64/58/01/567645801.db2.gz OKQICMCXXJWJRG-UHFFFAOYSA-N 0 1 381.251 3.439 20 30 GGEDMN Cc1cccc(CNC[C@@H](O)COc2ccc(CC#N)cc2)c1Br ZINC000572870353 567670851 /nfs/dbraw/zinc/67/08/51/567670851.db2.gz MMYWNYXKSWRYFP-QGZVFWFLSA-N 0 1 389.293 3.353 20 30 GGEDMN CSCC[C@@](C)(C#N)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000508099718 567729481 /nfs/dbraw/zinc/72/94/81/567729481.db2.gz DQVPRFRCNXVYBR-LBPRGKRZSA-N 0 1 399.282 3.041 20 30 GGEDMN CN(Cc1ccc(Br)cc1C#N)CC(C)(C)CN1CCOCC1 ZINC000553890677 567696339 /nfs/dbraw/zinc/69/63/39/567696339.db2.gz NVCYAIMKKMESNM-UHFFFAOYSA-N 0 1 380.330 3.111 20 30 GGEDMN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481726133 567698415 /nfs/dbraw/zinc/69/84/15/567698415.db2.gz PSRWTMBYRKFPGD-BONVTDFDSA-N 0 1 398.276 3.029 20 30 GGEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000573421263 567712427 /nfs/dbraw/zinc/71/24/27/567712427.db2.gz AZLXQQVDEOEQJD-ZBEGNZNMSA-N 0 1 378.270 3.313 20 30 GGEDMN CC(C)COC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000443035043 567725916 /nfs/dbraw/zinc/72/59/16/567725916.db2.gz BPVSIVMSQKZMLS-OAHLLOKOSA-N 0 1 382.869 3.497 20 30 GGEDMN C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)N(C)Cc1ccccc1 ZINC000443084712 567730115 /nfs/dbraw/zinc/73/01/15/567730115.db2.gz ZLIJPVXKZCXJPW-AWEZNQCLSA-N 0 1 377.897 3.010 20 30 GGEDMN COc1cc(OC)c(NC(=O)c2ccc(C#N)c(O)c2)cc1Br ZINC000443217625 567741225 /nfs/dbraw/zinc/74/12/25/567741225.db2.gz RRIFJMXDYYOJJJ-UHFFFAOYSA-N 0 1 377.194 3.296 20 30 GGEDMN C[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccc(Br)s1 ZINC000443331185 567749930 /nfs/dbraw/zinc/74/99/30/567749930.db2.gz OESTVKDEPJXQIV-LLVKDONJSA-N 0 1 378.295 3.349 20 30 GGEDMN COc1ccc(C)cc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443354353 567751485 /nfs/dbraw/zinc/75/14/85/567751485.db2.gz FJLOTJNOJKTRRZ-UHFFFAOYSA-N 0 1 381.251 3.439 20 30 GGEDMN CC(C)Oc1ccc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)cn1 ZINC000443368984 567752550 /nfs/dbraw/zinc/75/25/50/567752550.db2.gz KJPJEVHDOKMPJD-UHFFFAOYSA-N 0 1 396.266 3.304 20 30 GGEDMN C=CCNC(=O)[C@H](C)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000533395349 567767273 /nfs/dbraw/zinc/76/72/73/567767273.db2.gz RWXPDYDIMNQPSW-LBPRGKRZSA-N 0 1 384.307 3.335 20 30 GGEDMN CC(C)(C#N)C[C@H](O)CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000598591835 567778549 /nfs/dbraw/zinc/77/85/49/567778549.db2.gz CHHBUZAUWYRUGP-HNNXBMFYSA-N 0 1 398.320 3.007 20 30 GGEDMN C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598597562 567779337 /nfs/dbraw/zinc/77/93/37/567779337.db2.gz YRPQOYZFWAMLLE-CRAIPNDOSA-N 0 1 394.357 3.428 20 30 GGEDMN CC(C)(C#N)C[C@@H](O)CNCc1ccc(Cl)cc1I ZINC000598723298 567785806 /nfs/dbraw/zinc/78/58/06/567785806.db2.gz GBJHSQBXKDQMSM-GFCCVEGCSA-N 0 1 392.668 3.335 20 30 GGEDMN N#CCN(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000598841780 567794422 /nfs/dbraw/zinc/79/44/22/567794422.db2.gz HNLGYTUKXRHGLW-KGLIPLIRSA-N 0 1 376.762 3.181 20 30 GGEDMN N#CCN(C(=O)C(C[C@H]1COCCO1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000598841781 567794427 /nfs/dbraw/zinc/79/44/27/567794427.db2.gz HNLGYTUKXRHGLW-UONOGXRCSA-N 0 1 376.762 3.181 20 30 GGEDMN C=CCCCCN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000574898364 567803275 /nfs/dbraw/zinc/80/32/75/567803275.db2.gz PHSQWXLYEAZFMP-UHFFFAOYSA-N 0 1 380.330 3.362 20 30 GGEDMN COc1cc(C#N)ccc1NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000575037905 567809639 /nfs/dbraw/zinc/80/96/39/567809639.db2.gz OBFUDGWBAXOSRH-JTQLQIEISA-N 0 1 378.837 3.344 20 30 GGEDMN CC(C)c1csc([C@H](C#N)C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)n1 ZINC000222082478 570407120 /nfs/dbraw/zinc/40/71/20/570407120.db2.gz LIWOQQUIMNMINF-SHPPOPEUSA-N 0 1 392.550 3.169 20 30 GGEDMN CSc1nccn1-c1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000058010450 570706864 /nfs/dbraw/zinc/70/68/64/570706864.db2.gz IMXBQRITOFMKNC-UHFFFAOYSA-N 0 1 377.433 3.411 20 30 GGEDMN Cc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000032932899 570945956 /nfs/dbraw/zinc/94/59/56/570945956.db2.gz YYALIAUTTBCGLH-UHFFFAOYSA-N 0 1 391.924 3.273 20 30 GGEDMN CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000736253028 598861279 /nfs/dbraw/zinc/86/12/79/598861279.db2.gz SNXVBFSKLMEYMB-UKRRQHHQSA-N 0 1 386.504 3.421 20 30 GGEDMN N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)sc2c1CCCC2 ZINC000819095923 597079423 /nfs/dbraw/zinc/07/94/23/597079423.db2.gz OIMJQJNOBURLAT-ZDUSSCGKSA-N 0 1 375.494 3.014 20 30 GGEDMN COCCC(Cc1cccc(F)c1)N=Nc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000736979652 598787804 /nfs/dbraw/zinc/78/78/04/598787804.db2.gz SYGUANKPIHOKMQ-UHFFFAOYSA-N 0 1 387.419 3.164 20 30 GGEDMN Cc1nc(-c2nn[nH]n2)c(N=NC2C[C@H](C)c3c2cccc3Br)o1 ZINC000822423169 599337921 /nfs/dbraw/zinc/33/79/21/599337921.db2.gz IOXHHFLPYSBRHP-ZETCQYMHSA-N 0 1 388.229 3.249 20 30 GGEDMN Cc1nc(-c2nn[nH]n2)c(N=NC2C[C@@H](C)c3c2cccc3Br)o1 ZINC000822423168 599338460 /nfs/dbraw/zinc/33/84/60/599338460.db2.gz IOXHHFLPYSBRHP-SSDOTTSWSA-N 0 1 388.229 3.249 20 30 GGEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2cc(Cl)ccc2Br)o1 ZINC000822423036 599338469 /nfs/dbraw/zinc/33/84/69/599338469.db2.gz HIHAFJHOJDIJHS-UHFFFAOYSA-N 0 1 382.609 3.025 20 30 GGEDMN N#Cc1ccc(NC(=O)CC[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1Cl ZINC000739122416 599713375 /nfs/dbraw/zinc/71/33/75/599713375.db2.gz FPHJRNGUCMOJLK-DQYPLSBCSA-N 0 1 375.856 3.258 20 30 GGEDMN N#Cc1cccc(OC2CC[NH+](Cn3ncc4cc(C(=O)[O-])ccc43)CC2)c1 ZINC000739133467 599779176 /nfs/dbraw/zinc/77/91/76/599779176.db2.gz IOYKOGQBJZEHCV-UHFFFAOYSA-N 0 1 376.416 3.107 20 30 GGEDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccc(OCC#N)cc1)CC2 ZINC000737905494 599924284 /nfs/dbraw/zinc/92/42/84/599924284.db2.gz JZVRRISOUHMICG-IBGZPJMESA-N 0 1 396.443 3.180 20 30 GGEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736218749 600136144 /nfs/dbraw/zinc/13/61/44/600136144.db2.gz BAPROIPFUDJBLT-QWHCGFSZSA-N 0 1 375.494 3.012 20 30 GGEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736218749 600136148 /nfs/dbraw/zinc/13/61/48/600136148.db2.gz BAPROIPFUDJBLT-QWHCGFSZSA-N 0 1 375.494 3.012 20 30 GGEDMN C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737411780 600212431 /nfs/dbraw/zinc/21/24/31/600212431.db2.gz ALMMOUFZJSNFHZ-GOSISDBHSA-N 0 1 383.473 3.195 20 30 GGEDMN CC(C)[N@@H+](CCC(=O)[O-])CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000736468321 600220542 /nfs/dbraw/zinc/22/05/42/600220542.db2.gz NRUAAXHXCDSMCO-UHFFFAOYSA-N 0 1 377.510 3.402 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c1C#N ZINC000738252875 600289961 /nfs/dbraw/zinc/28/99/61/600289961.db2.gz JWRYQZVGJWTVKO-SFHVURJKSA-N 0 1 398.507 3.217 20 30 GGEDMN N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C(=O)[O-])cc3F)CC2)cc1 ZINC000739118302 600397720 /nfs/dbraw/zinc/39/77/20/600397720.db2.gz QGHJWAQJOMXMEM-UHFFFAOYSA-N 0 1 396.422 3.135 20 30 GGEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C(=O)[O-])cc3F)CC2)cc1 ZINC000739118302 600397723 /nfs/dbraw/zinc/39/77/23/600397723.db2.gz QGHJWAQJOMXMEM-UHFFFAOYSA-N 0 1 396.422 3.135 20 30 GGEDMN COc1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC(F)F ZINC000737995923 600563656 /nfs/dbraw/zinc/56/36/56/600563656.db2.gz UEYNVCMFCBWCHC-QGZVFWFLSA-N 0 1 376.359 3.426 20 30 GGEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000739103388 600565446 /nfs/dbraw/zinc/56/54/46/600565446.db2.gz AQXOFTDAFAUOJV-CRAIPNDOSA-N 0 1 398.850 3.083 20 30 GGEDMN N#Cc1ccc([C@H](OC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000739112007 600803857 /nfs/dbraw/zinc/80/38/57/600803857.db2.gz XNYRSIWYLBCEAT-QUCCMNQESA-N 0 1 396.418 3.278 20 30 GGEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1C#N ZINC000832849940 600820111 /nfs/dbraw/zinc/82/01/11/600820111.db2.gz TUXSDUJXICBHRX-SFHVURJKSA-N 0 1 394.475 3.234 20 30 GGEDMN C[C@@H](C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1)C(=O)[O-] ZINC000827455921 600823171 /nfs/dbraw/zinc/82/31/71/600823171.db2.gz PDHKTPYJGNCFGC-HNNXBMFYSA-N 0 1 376.416 3.331 20 30 GGEDMN C[C@@H](C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1)C(=O)[O-] ZINC000827454879 600823387 /nfs/dbraw/zinc/82/33/87/600823387.db2.gz HRDIHEYVGVOLGR-HNNXBMFYSA-N 0 1 376.416 3.331 20 30 GGEDMN 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GGEDMN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000186957558 1431576476 /nfs/dbraw/zinc/57/64/76/1431576476.db2.gz KHYSXVYADGBZEW-UHFFFAOYSA-N 0 1 391.880 3.398 20 30 GGEDMN C#CCOc1ccccc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000187085541 1431609916 /nfs/dbraw/zinc/60/99/16/1431609916.db2.gz DNZSQDXDDLNMIU-UHFFFAOYSA-N 0 1 378.409 3.218 20 30 GGEDMN C#CCOc1ccccc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000187085764 1431610453 /nfs/dbraw/zinc/61/04/53/1431610453.db2.gz HJWNMZHTDHSMLD-UHFFFAOYSA-N 0 1 392.436 3.243 20 30 GGEDMN Cc1nc(SCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[nH]c1-c1ccccc1 ZINC000187146609 1431630380 /nfs/dbraw/zinc/63/03/80/1431630380.db2.gz FMOQMDMEADMQIJ-SFHVURJKSA-N 0 1 397.548 3.170 20 30 GGEDMN C#CCOc1ccccc1NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000187175927 1431638407 /nfs/dbraw/zinc/63/84/07/1431638407.db2.gz BCWIUBSYJSFRAY-UHFFFAOYSA-N 0 1 377.488 3.158 20 30 GGEDMN N#Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 ZINC000187181152 1431639423 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ZINC000188854207 1431998991 /nfs/dbraw/zinc/99/89/91/1431998991.db2.gz COOVIRNYQCCLCQ-SFTDATJTSA-N 0 1 375.472 3.391 20 30 GGEDMN C=CCN(CCOC)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000188964089 1432017772 /nfs/dbraw/zinc/01/77/72/1432017772.db2.gz UIVOSBCDVREZGE-KRWDZBQOSA-N 0 1 385.430 3.124 20 30 GGEDMN C=CCC[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1ccccc1 ZINC000189120187 1432048363 /nfs/dbraw/zinc/04/83/63/1432048363.db2.gz YDSWBDJQGDGGMR-OAQYLSRUSA-N 0 1 378.520 3.200 20 30 GGEDMN C=C[C@](C)(CCOC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000189167690 1432056504 /nfs/dbraw/zinc/05/65/04/1432056504.db2.gz GEUCPOMQCCPMAX-OAQYLSRUSA-N 0 1 375.513 3.004 20 30 GGEDMN N#Cc1ccc(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)cc1O ZINC000189216787 1432064969 /nfs/dbraw/zinc/06/49/69/1432064969.db2.gz PPFWJTCODFAISS-UHFFFAOYSA-N 0 1 387.443 3.425 20 30 GGEDMN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCN2CCCOCC2)c1 ZINC000189426213 1432107018 /nfs/dbraw/zinc/10/70/18/1432107018.db2.gz GKMGZMXWRFRGFT-UHFFFAOYSA-N 0 1 399.878 3.456 20 30 GGEDMN C#CCN1CCC(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000189693021 1432206328 /nfs/dbraw/zinc/20/63/28/1432206328.db2.gz ZOOGULQSYVDRBD-NRFANRHFSA-N 0 1 376.504 3.476 20 30 GGEDMN C=CCSc1ccccc1NC(=O)CN[C@]1(CO)C[C@H](OCC)C1(C)C ZINC000189979477 1432296474 /nfs/dbraw/zinc/29/64/74/1432296474.db2.gz YFQUBZKBWPUEJN-PXNSSMCTSA-N 0 1 378.538 3.059 20 30 GGEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000190186655 1432336397 /nfs/dbraw/zinc/33/63/97/1432336397.db2.gz GOMRKJKWXQZOSV-JKSUJKDBSA-N 0 1 390.553 3.247 20 30 GGEDMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(CCC#N)CC3CC3)c2C1 ZINC000190255802 1432349723 /nfs/dbraw/zinc/34/97/23/1432349723.db2.gz YHBMFDWJXFOBCD-INIZCTEOSA-N 0 1 382.508 3.137 20 30 GGEDMN C=CCCN(OCc1ccccc1)C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000190261769 1432350422 /nfs/dbraw/zinc/35/04/22/1432350422.db2.gz KZSXBLPPPXFQNA-UHFFFAOYSA-N 0 1 381.457 3.362 20 30 GGEDMN COc1cc(C)c([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000190604330 1432418046 /nfs/dbraw/zinc/41/80/46/1432418046.db2.gz UFMFTRNMFHOAAC-OXQOHEQNSA-N 0 1 393.487 3.336 20 30 GGEDMN COc1cc(C)c([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000190604369 1432418060 /nfs/dbraw/zinc/41/80/60/1432418060.db2.gz UFMFTRNMFHOAAC-JXFKEZNVSA-N 0 1 393.487 3.336 20 30 GGEDMN COc1cc(C)c([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000190604355 1432418082 /nfs/dbraw/zinc/41/80/82/1432418082.db2.gz UFMFTRNMFHOAAC-UZLBHIALSA-N 0 1 393.487 3.336 20 30 GGEDMN COc1ccc2c(c1)[C@H](N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCS2 ZINC000190608906 1432419405 /nfs/dbraw/zinc/41/94/05/1432419405.db2.gz FKVIYZOMWJFQCG-UXHICEINSA-N 0 1 393.512 3.494 20 30 GGEDMN COc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000190629736 1432425570 /nfs/dbraw/zinc/42/55/70/1432425570.db2.gz AOEAQACSKZTWJA-BEFAXECRSA-N 0 1 379.460 3.027 20 30 GGEDMN N#Cc1ccc(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)cc1O ZINC000190688994 1432442789 /nfs/dbraw/zinc/44/27/89/1432442789.db2.gz WNPASDDVBAEGQS-UHFFFAOYSA-N 0 1 376.347 3.303 20 30 GGEDMN CCC[C@H](NCc1cc(C#N)n(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000190921960 1432529794 /nfs/dbraw/zinc/52/97/94/1432529794.db2.gz TXWCAKLTYUSPGS-NRFANRHFSA-N 0 1 379.508 3.394 20 30 GGEDMN COCCN(C)c1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000191276819 1432618307 /nfs/dbraw/zinc/61/83/07/1432618307.db2.gz DQZUBHHRIJEGKQ-UHFFFAOYSA-N 0 1 377.410 3.324 20 30 GGEDMN C=C(C)COc1cc(CN[C@@H]2CCCN(c3ccnn3CC)C2=O)ccc1OC ZINC000191637942 1432697792 /nfs/dbraw/zinc/69/77/92/1432697792.db2.gz PFYNZGCSPUSDGV-GOSISDBHSA-N 0 1 398.507 3.152 20 30 GGEDMN C=CCOc1ccc(CN[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000191808191 1432729855 /nfs/dbraw/zinc/72/98/55/1432729855.db2.gz CILDXXJHTGNURP-HXUWFJFHSA-N 0 1 380.488 3.459 20 30 GGEDMN C#CCCCC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000192070084 1432792561 /nfs/dbraw/zinc/79/25/61/1432792561.db2.gz GUUDHCRGVCMMTM-UHFFFAOYSA-N 0 1 375.516 3.429 20 30 GGEDMN N#CC1(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCCCC1 ZINC000192086515 1432795749 /nfs/dbraw/zinc/79/57/49/1432795749.db2.gz TYNUSBOZYMKBMF-FUHWJXTLSA-N 0 1 379.863 3.241 20 30 GGEDMN Cc1oc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192125749 1432802229 /nfs/dbraw/zinc/80/22/29/1432802229.db2.gz PGTCDBZXWZOBLR-AEFFLSMTSA-N 0 1 375.375 3.105 20 30 GGEDMN Cc1oc(NC(=O)[C@@H](C)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192126274 1432802457 /nfs/dbraw/zinc/80/24/57/1432802457.db2.gz URFOZCUMHZYHNL-CNOZUTPLSA-N 0 1 389.402 3.493 20 30 GGEDMN CN(C(=O)CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C1(C#N)CCCCC1 ZINC000192139408 1432805347 /nfs/dbraw/zinc/80/53/47/1432805347.db2.gz MNEYMDLCHMNSKL-HKUYNNGSSA-N 0 1 377.435 3.069 20 30 GGEDMN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(C#N)c(F)c1 ZINC000192206060 1432815929 /nfs/dbraw/zinc/81/59/29/1432815929.db2.gz PAGRHMZJWHMFCA-OAHLLOKOSA-N 0 1 387.480 3.430 20 30 GGEDMN N#Cc1ccc(CN2CC[C@H](NCc3ccc(Oc4cnccn4)cc3)C2=O)cc1 ZINC000192243004 1432821506 /nfs/dbraw/zinc/82/15/06/1432821506.db2.gz ISGQUOCPDGVIKP-NRFANRHFSA-N 0 1 399.454 3.031 20 30 GGEDMN CCCOc1cc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC ZINC000192244852 1432821705 /nfs/dbraw/zinc/82/17/05/1432821705.db2.gz NAKNZFMVVMSKRZ-HXUWFJFHSA-N 0 1 393.487 3.246 20 30 GGEDMN N#Cc1ccc(CN2CC[C@H](NCc3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000192245351 1432821982 /nfs/dbraw/zinc/82/19/82/1432821982.db2.gz YMOLKQHEUDSXSE-SFHVURJKSA-N 0 1 389.377 3.348 20 30 GGEDMN N#Cc1ccc(CN2CC[C@@H](NCc3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000192245345 1432822039 /nfs/dbraw/zinc/82/20/39/1432822039.db2.gz YMOLKQHEUDSXSE-GOSISDBHSA-N 0 1 389.377 3.348 20 30 GGEDMN CCCOc1ccc(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000192245226 1432822057 /nfs/dbraw/zinc/82/20/57/1432822057.db2.gz HDCFUWYYJXVFGN-FQEVSTJZSA-N 0 1 393.487 3.246 20 30 GGEDMN COC(=O)[C@@H](C)N(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCC1 ZINC000192379300 1432839419 /nfs/dbraw/zinc/83/94/19/1432839419.db2.gz SPXCXMPDAXREOI-CYBMUJFWSA-N 0 1 389.521 3.243 20 30 GGEDMN COCc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000192562816 1432860567 /nfs/dbraw/zinc/86/05/67/1432860567.db2.gz CDILPIBGVBSHKI-UHFFFAOYSA-N 0 1 378.476 3.444 20 30 GGEDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000193153362 1432945945 /nfs/dbraw/zinc/94/59/45/1432945945.db2.gz YNBZGRPXARAPSD-UHFFFAOYSA-N 0 1 383.883 3.309 20 30 GGEDMN N#Cc1ccc(CN2CC[C@@H](NCc3cnc(-c4ccco4)s3)C2=O)cc1 ZINC000193244544 1432966827 /nfs/dbraw/zinc/96/68/27/1432966827.db2.gz METVLMBPZZIULC-QGZVFWFLSA-N 0 1 378.457 3.165 20 30 GGEDMN N#CC(C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000193259039 1432969240 /nfs/dbraw/zinc/96/92/40/1432969240.db2.gz XRRZCPFNOHQUGD-NSHDSACASA-N 0 1 387.226 3.476 20 30 GGEDMN Cn1c2ccccc2nc1C(C#N)C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000193265376 1432971244 /nfs/dbraw/zinc/97/12/44/1432971244.db2.gz RRJWBQMUPOLLSL-KRWDZBQOSA-N 0 1 388.471 3.477 20 30 GGEDMN N#Cc1ccc(CN2CC[C@H](N[C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000193354910 1432984834 /nfs/dbraw/zinc/98/48/34/1432984834.db2.gz HWNJDPYGOLTKBE-SFTDATJTSA-N 0 1 390.443 3.235 20 30 GGEDMN N#Cc1ccc(CN2CC[C@@H](N[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000193354898 1432984887 /nfs/dbraw/zinc/98/48/87/1432984887.db2.gz HWNJDPYGOLTKBE-NHCUHLMSSA-N 0 1 390.443 3.235 20 30 GGEDMN CCCCCNC(=O)C(C#N)C(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000193369915 1432986497 /nfs/dbraw/zinc/98/64/97/1432986497.db2.gz HYKHHLSUPWSQPJ-ZDUSSCGKSA-N 0 1 390.534 3.416 20 30 GGEDMN CCCCCNC(=O)C(C#N)C(=O)CSc1nccn1-c1ccccc1C ZINC000193378107 1432987758 /nfs/dbraw/zinc/98/77/58/1432987758.db2.gz HJFPWYPDZXMJEC-INIZCTEOSA-N 0 1 384.505 3.288 20 30 GGEDMN Cc1nn(Cc2ccccc2)c2sc(C(=O)C(C#N)C(=O)NC(C)C)cc12 ZINC000193482801 1433006331 /nfs/dbraw/zinc/00/63/31/1433006331.db2.gz ILBAOEVTGGOAKU-MRXNPFEDSA-N 0 1 380.473 3.302 20 30 GGEDMN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(Cl)s2)cc1 ZINC000193705481 1433044033 /nfs/dbraw/zinc/04/40/33/1433044033.db2.gz OONBZASHTUOXPL-LBPRGKRZSA-N 0 1 375.837 3.064 20 30 GGEDMN CCN(CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193757457 1433053727 /nfs/dbraw/zinc/05/37/27/1433053727.db2.gz UZYPPXGKLGEJQG-SFHVURJKSA-N 0 1 398.551 3.047 20 30 GGEDMN N#CC(C(=O)COc1ccc(Br)cc1Cl)C(=O)NC1CCCC1 ZINC000193761388 1433054494 /nfs/dbraw/zinc/05/44/94/1433054494.db2.gz YEOSXKYYPQQMMV-LBPRGKRZSA-N 0 1 399.672 3.249 20 30 GGEDMN COc1cccc([C@@H](CNC(=O)c2ccccc2OCC#N)N2CCCC2)c1 ZINC000194042810 1433106173 /nfs/dbraw/zinc/10/61/73/1433106173.db2.gz CZGFFDVXWHENEJ-HXUWFJFHSA-N 0 1 379.460 3.164 20 30 GGEDMN CC[C@H](C#N)Oc1cc(CNC(=O)c2n[nH]nc2-c2ccccc2)ccc1OC ZINC000194189072 1433134637 /nfs/dbraw/zinc/13/46/37/1433134637.db2.gz IGLBEHSAKGHCSE-MRXNPFEDSA-N 0 1 391.431 3.091 20 30 GGEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000194248367 1433148575 /nfs/dbraw/zinc/14/85/75/1433148575.db2.gz KNTMMDVJKXJCQJ-MRXNPFEDSA-N 0 1 390.503 3.225 20 30 GGEDMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000194556525 1433196772 /nfs/dbraw/zinc/19/67/72/1433196772.db2.gz PIOXVQYGQCMXDN-GOSISDBHSA-N 0 1 396.491 3.219 20 30 GGEDMN COc1ccc([C@@H](CNC(=O)Cc2ccc(C#N)cc2)N2CCCCC2)cc1 ZINC000194712886 1433218793 /nfs/dbraw/zinc/21/87/93/1433218793.db2.gz ARWRGECXWARJRV-JOCHJYFZSA-N 0 1 377.488 3.453 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cn1 ZINC000195444768 1433330456 /nfs/dbraw/zinc/33/04/56/1433330456.db2.gz ALDMFMPHMAFWPH-UHFFFAOYSA-N 0 1 396.403 3.145 20 30 GGEDMN CN(C(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1)c1ccccc1 ZINC000195444561 1433330499 /nfs/dbraw/zinc/33/04/99/1433330499.db2.gz GOLOMZVPLCGGOX-UHFFFAOYSA-N 0 1 392.440 3.031 20 30 GGEDMN C[N@@H+](CCNC(=O)NCCSCc1ccccc1C#N)Cc1ccccc1 ZINC000195614345 1433341938 /nfs/dbraw/zinc/34/19/38/1433341938.db2.gz VVLXKSYLSXBYSF-UHFFFAOYSA-N 0 1 382.533 3.223 20 30 GGEDMN COc1cc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cc([N+](=O)[O-])c1O ZINC000214668812 1433361117 /nfs/dbraw/zinc/36/11/17/1433361117.db2.gz LQBNFYTVDMYCIE-WTKPLQERSA-N 0 1 382.372 3.332 20 30 GGEDMN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000229125756 1433371804 /nfs/dbraw/zinc/37/18/04/1433371804.db2.gz ISOVRUGUIQLSHH-NVJIOZQYSA-N 0 1 396.579 3.395 20 30 GGEDMN CCCC(=O)NC[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000245391928 1433458956 /nfs/dbraw/zinc/45/89/56/1433458956.db2.gz SDSQMOAHPMYSCL-UXHICEINSA-N 0 1 398.551 3.259 20 30 GGEDMN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537704 1433482536 /nfs/dbraw/zinc/48/25/36/1433482536.db2.gz YLGWPKYCOUONRD-UXHICEINSA-N 0 1 377.492 3.241 20 30 GGEDMN C=C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccccc1 ZINC000245572914 1433486904 /nfs/dbraw/zinc/48/69/04/1433486904.db2.gz CQWLEDNVSAXDFE-AKIFATBCSA-N 0 1 378.516 3.346 20 30 GGEDMN C[C@H]1c2ccccc2CCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245863668 1433529405 /nfs/dbraw/zinc/52/94/05/1433529405.db2.gz PLPNAYQTGMDAOT-FXAWDEMLSA-N 0 1 394.544 3.076 20 30 GGEDMN C[C@H](C#N)Oc1ccc(CNc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1 ZINC000246018706 1433558251 /nfs/dbraw/zinc/55/82/51/1433558251.db2.gz URNQQBHRMNXPLF-IERDGZPVSA-N 0 1 378.476 3.039 20 30 GGEDMN N#Cc1ccc([C@H](O)CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000246252713 1433586734 /nfs/dbraw/zinc/58/67/34/1433586734.db2.gz AAGMVEWIMGSXRF-NHCUHLMSSA-N 0 1 378.476 3.268 20 30 GGEDMN COc1ccc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1C#N ZINC000246350440 1433599074 /nfs/dbraw/zinc/59/90/74/1433599074.db2.gz FIUMZBAMWFHVTE-RTWAWAEBSA-N 0 1 385.895 3.382 20 30 GGEDMN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000246375809 1433602996 /nfs/dbraw/zinc/60/29/96/1433602996.db2.gz MWRCERNUNLRFDK-IAGOWNOFSA-N 0 1 397.523 3.197 20 30 GGEDMN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C(=O)NC3(C#N)CCCCC3)ccc2NC1=O ZINC000246450194 1433614421 /nfs/dbraw/zinc/61/44/21/1433614421.db2.gz UNSCNWXVKDCXFU-DAYGRLMNSA-N 0 1 398.507 3.178 20 30 GGEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000246456978 1433615081 /nfs/dbraw/zinc/61/50/81/1433615081.db2.gz FOZSOLBBCSUBRE-BRWVUGGUSA-N 0 1 384.524 3.229 20 30 GGEDMN C[C@@H]1C[C@H](c2ccccc2)CN1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246660902 1433646700 /nfs/dbraw/zinc/64/67/00/1433646700.db2.gz AJXDNRMCFHWCLE-ICPLQIHGSA-N 0 1 388.471 3.161 20 30 GGEDMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)C[C@@H]2CCC[C@H]2O)c1C#N ZINC000247254790 1433696887 /nfs/dbraw/zinc/69/68/87/1433696887.db2.gz ZZIZZNOKFKVEIB-PZJWPPBQSA-N 0 1 394.519 3.056 20 30 GGEDMN C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000248046653 1433765864 /nfs/dbraw/zinc/76/58/64/1433765864.db2.gz MPKSLWWXFPYEKH-IBGZPJMESA-N 0 1 382.552 3.246 20 30 GGEDMN C[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@@H]1C ZINC000248333590 1433786698 /nfs/dbraw/zinc/78/66/98/1433786698.db2.gz FUOUHHZYVNDXNX-BRWVUGGUSA-N 0 1 384.524 3.086 20 30 GGEDMN N#Cc1ccc(N2CCC[C@H](N(C[C@@H]3CCCO3)[C@H]3CCSC3)C2=O)cc1 ZINC000248782416 1433822170 /nfs/dbraw/zinc/82/21/70/1433822170.db2.gz VNSPBRXZKHCBJJ-UFYCRDLUSA-N 0 1 385.533 3.040 20 30 GGEDMN C=CCc1ccc(OC[C@@H](O)CN2CC[C@@]3(C2)OCc2ccccc23)c(OC)c1 ZINC000248781247 1433822251 /nfs/dbraw/zinc/82/22/51/1433822251.db2.gz WUEWYFDZXRSFFU-RDPSFJRHSA-N 0 1 395.499 3.295 20 30 GGEDMN C[C@@H]1CN(c2ccc(C(=O)C(C#N)c3cnc4ccccc4n3)cn2)C[C@@H](C)O1 ZINC000248893448 1433828134 /nfs/dbraw/zinc/82/81/34/1433828134.db2.gz SNTWKQYZTNCLKC-BFYDXBDKSA-N 0 1 387.443 3.128 20 30 GGEDMN C[C@@H]1CN(c2ccc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cn2)C[C@@H](C)O1 ZINC000248893448 1433828135 /nfs/dbraw/zinc/82/81/35/1433828135.db2.gz SNTWKQYZTNCLKC-BFYDXBDKSA-N 0 1 387.443 3.128 20 30 GGEDMN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)[C@H](C#N)c3ccccn3)cc2)C1 ZINC000249523803 1433846267 /nfs/dbraw/zinc/84/62/67/1433846267.db2.gz QOLAIBYEFYLRRJ-GPMSIDNRSA-N 0 1 397.500 3.238 20 30 GGEDMN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 ZINC000249733971 1433850259 /nfs/dbraw/zinc/85/02/59/1433850259.db2.gz VDGLWIJOMPKQQV-CRAIPNDOSA-N 0 1 383.473 3.135 20 30 GGEDMN CCCN(C[C@H](O)COc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000250010997 1433853877 /nfs/dbraw/zinc/85/38/77/1433853877.db2.gz KLQQEHDUANSKCN-XLIONFOSSA-N 0 1 381.476 3.037 20 30 GGEDMN C=CCC[C@H](C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1 ZINC000250112822 1433854463 /nfs/dbraw/zinc/85/44/63/1433854463.db2.gz TYDRBKCICZOZEN-ZLNRFVROSA-N 0 1 378.516 3.488 20 30 GGEDMN CCCCCCNC(=O)[C@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000250279444 1433855451 /nfs/dbraw/zinc/85/54/51/1433855451.db2.gz BODWXXMIOYCHEY-FPOVZHCZSA-N 0 1 396.535 3.072 20 30 GGEDMN CCCNC(=O)[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000250525685 1433856645 /nfs/dbraw/zinc/85/66/45/1433856645.db2.gz QIFRACGXHGXAKT-UXHICEINSA-N 0 1 398.551 3.177 20 30 GGEDMN CCC[C@H](C)NC(=O)[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000253359845 1433866245 /nfs/dbraw/zinc/86/62/45/1433866245.db2.gz NMGIOLKZCHVDOR-ZCNNSNEGSA-N 0 1 398.551 3.339 20 30 GGEDMN CC(C)c1csc([C@H](C#N)C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)n1 ZINC000253370051 1433866431 /nfs/dbraw/zinc/86/64/31/1433866431.db2.gz LIWOQQUIMNMINF-XABYNWHXSA-N 0 1 392.550 3.169 20 30 GGEDMN Cc1nc(SCC(=O)NC[C@@H](c2cccs2)N(C)C)c(C#N)c(C)c1C ZINC000253478888 1433867834 /nfs/dbraw/zinc/86/78/34/1433867834.db2.gz NPCNKNDCBMAGQB-INIZCTEOSA-N 0 1 388.562 3.451 20 30 GGEDMN CCc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)n[nH]1 ZINC000253605356 1433870388 /nfs/dbraw/zinc/87/03/88/1433870388.db2.gz TXQKFCAPOLVZLT-UHFFFAOYSA-N 0 1 380.477 3.377 20 30 GGEDMN CCc1n[nH]c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)n1 ZINC000253605356 1433870389 /nfs/dbraw/zinc/87/03/89/1433870389.db2.gz TXQKFCAPOLVZLT-UHFFFAOYSA-N 0 1 380.477 3.377 20 30 GGEDMN CCN(C(=O)[C@H](C)ON=Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000254935780 1433872576 /nfs/dbraw/zinc/87/25/76/1433872576.db2.gz FXDZZHCRTZMZLF-SFHVURJKSA-N 0 1 381.476 3.315 20 30 GGEDMN C[C@@H](CNC(=O)[C@H](C)ON=Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000254943292 1433872752 /nfs/dbraw/zinc/87/27/52/1433872752.db2.gz DBVIBJRJAMMHSU-OALUTQOASA-N 0 1 395.503 3.182 20 30 GGEDMN Cc1cn2c(/C=C\C(=O)c3ccc(O)c(CN4CCOCC4)c3)c(C)nc2s1 ZINC000254986416 1433873634 /nfs/dbraw/zinc/87/36/34/1433873634.db2.gz PQQYFIQYFNHLCF-XQRVVYSFSA-N 0 1 397.500 3.447 20 30 GGEDMN O=S(=O)(C[C@H](O)C/N=C\c1cc(Cl)cc(Cl)c1O)c1cccs1 ZINC000255076801 1433875859 /nfs/dbraw/zinc/87/58/59/1433875859.db2.gz BBGASGPPFDBNPU-YRMGLCMGSA-N 0 1 394.301 3.014 20 30 GGEDMN N#Cc1ccc(O)c(NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)c1 ZINC000255116410 1433876760 /nfs/dbraw/zinc/87/67/60/1433876760.db2.gz KYNURORACDXYPA-CLFYSBASSA-N 0 1 375.428 3.154 20 30 GGEDMN O=C(c1ccc(CON=Cc2ccc(N3CCOCC3)cc2)cc1)N1CCCC1 ZINC000255115279 1433876822 /nfs/dbraw/zinc/87/68/22/1433876822.db2.gz OJPKRYIEQSQOAG-UHFFFAOYSA-N 0 1 393.487 3.310 20 30 GGEDMN Cc1ccc(NC(=O)[C@@H](C)ON=Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000255230026 1433878648 /nfs/dbraw/zinc/87/86/48/1433878648.db2.gz ZIOYWKRSSRGHPH-MRXNPFEDSA-N 0 1 385.439 3.348 20 30 GGEDMN O=C(/C=C\c1ccc(-n2cccn2)cc1)c1ccc(O)c(CN2CCOCC2)c1 ZINC000255603548 1433886336 /nfs/dbraw/zinc/88/63/36/1433886336.db2.gz MVTPWQYFWOFBKT-YWEYNIOJSA-N 0 1 389.455 3.306 20 30 GGEDMN N#Cc1cnc2ccc(Cl)cc2c1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263553364 1434013002 /nfs/dbraw/zinc/01/30/02/1434013002.db2.gz MNJSKEWYBIXOTJ-UHFFFAOYSA-N 0 1 384.867 3.499 20 30 GGEDMN C=CCOc1ccc(CNC[C@](O)(c2nccn2C)C(F)(F)F)cc1Cl ZINC000263847176 1434041223 /nfs/dbraw/zinc/04/12/23/1434041223.db2.gz KZZBDOWLAYLPHC-INIZCTEOSA-N 0 1 389.805 3.178 20 30 GGEDMN CN(C)[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cccs1 ZINC000263949062 1434052138 /nfs/dbraw/zinc/05/21/38/1434052138.db2.gz DDSFEVKJELDWNU-GOSISDBHSA-N 0 1 398.532 3.194 20 30 GGEDMN CN(C)[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccsc1 ZINC000263963155 1434054179 /nfs/dbraw/zinc/05/41/79/1434054179.db2.gz JCJZWCPFZZENBM-IBGZPJMESA-N 0 1 398.532 3.194 20 30 GGEDMN CN(C)[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccsc1 ZINC000263963158 1434054232 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1435457948 /nfs/dbraw/zinc/45/79/48/1435457948.db2.gz NHGKAGAYRJUCIY-OAQYLSRUSA-N 0 1 377.492 3.150 20 30 GGEDMN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N(CC#N)C3CCCC3)[nH]n2)C1 ZINC000279162111 1435466370 /nfs/dbraw/zinc/46/63/70/1435466370.db2.gz KIRFGQFUATWVKU-CQSZACIVSA-N 0 1 387.484 3.042 20 30 GGEDMN N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(CN3CCSCC3)c2)cc1 ZINC000279447878 1435500579 /nfs/dbraw/zinc/50/05/79/1435500579.db2.gz ZEFUETORXGVUEL-HXUWFJFHSA-N 0 1 390.512 3.428 20 30 GGEDMN N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000280861246 1435732519 /nfs/dbraw/zinc/73/25/19/1435732519.db2.gz QMYOKFGODHTKTJ-RBUKOAKNSA-N 0 1 378.501 3.255 20 30 GGEDMN C=CCN1CC[C@H](N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)C1=O ZINC000280900621 1435738843 /nfs/dbraw/zinc/73/88/43/1435738843.db2.gz BNPLZDAIZDDSDA-IERDGZPVSA-N 0 1 395.478 3.444 20 30 GGEDMN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000281352863 1435805078 /nfs/dbraw/zinc/80/50/78/1435805078.db2.gz DQDIUNJSHRIPJA-FIKGOQFSSA-N 0 1 399.535 3.083 20 30 GGEDMN C=CCOc1ccc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1OC ZINC000281391191 1435806946 /nfs/dbraw/zinc/80/69/46/1435806946.db2.gz WWHZNTMCHYONBP-UHFFFAOYSA-N 0 1 386.414 3.151 20 30 GGEDMN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000281393907 1435807022 /nfs/dbraw/zinc/80/70/22/1435807022.db2.gz NBFGMYOPDLPKFV-AZFSHXRASA-N 0 1 375.900 3.412 20 30 GGEDMN N#Cc1cnc2ccccc2c1N1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000282008031 1435830821 /nfs/dbraw/zinc/83/08/21/1435830821.db2.gz ODUCJZJKHLONPJ-UHFFFAOYSA-N 0 1 389.503 3.329 20 30 GGEDMN CCN(CCCC1(C#N)CCOCC1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000282067838 1435833361 /nfs/dbraw/zinc/83/33/61/1435833361.db2.gz SPEWJTACXWFXCQ-UHFFFAOYSA-N 0 1 386.496 3.006 20 30 GGEDMN Cc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000282103222 1435834690 /nfs/dbraw/zinc/83/46/90/1435834690.db2.gz YEKQJQBHJYMJQE-UHFFFAOYSA-N 0 1 391.880 3.158 20 30 GGEDMN C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(C2CCC2)CC1 ZINC000282134082 1435835937 /nfs/dbraw/zinc/83/59/37/1435835937.db2.gz AYMSFLCRNXJCPT-UHFFFAOYSA-N 0 1 399.564 3.440 20 30 GGEDMN C=CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC000282243107 1435839857 /nfs/dbraw/zinc/83/98/57/1435839857.db2.gz KDYWMVVJXLOXAW-UHFFFAOYSA-N 0 1 388.519 3.081 20 30 GGEDMN Cc1cc([C@H]2CCCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C2)n[nH]1 ZINC000282821126 1435861731 /nfs/dbraw/zinc/86/17/31/1435861731.db2.gz UGCNNCRJWLHOLA-ZDUSSCGKSA-N 0 1 398.410 3.177 20 30 GGEDMN Cc1cc([C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C2)n[nH]1 ZINC000282821121 1435861748 /nfs/dbraw/zinc/86/17/48/1435861748.db2.gz UGCNNCRJWLHOLA-CYBMUJFWSA-N 0 1 398.410 3.177 20 30 GGEDMN CCCCCCCCCNC(=O)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000283468957 1435891320 /nfs/dbraw/zinc/89/13/20/1435891320.db2.gz LMODTQXNKLLURH-UHFFFAOYSA-N 0 1 388.556 3.029 20 30 GGEDMN CCCCCCCCCNC(=O)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000283554264 1435895179 /nfs/dbraw/zinc/89/51/79/1435895179.db2.gz QVWMAQGCNUMYRJ-UHFFFAOYSA-N 0 1 388.556 3.029 20 30 GGEDMN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000284481457 1436024929 /nfs/dbraw/zinc/02/49/29/1436024929.db2.gz FMJHCIFVJSOGRJ-SJORKVTESA-N 0 1 394.479 3.477 20 30 GGEDMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000284741177 1436045351 /nfs/dbraw/zinc/04/53/51/1436045351.db2.gz KSOXBWRPYSUKEB-LSDHHAIUSA-N 0 1 385.489 3.030 20 30 GGEDMN CC(C)C[N@@H+](Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccc(C#N)cc1 ZINC000824261838 1441496200 /nfs/dbraw/zinc/49/62/00/1441496200.db2.gz RRRJOMWDTPUCNG-UHFFFAOYSA-N 0 1 386.463 3.044 20 30 GGEDMN CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000823961910 1441613639 /nfs/dbraw/zinc/61/36/39/1441613639.db2.gz CALHAMLBDZSDMW-MRXNPFEDSA-N 0 1 394.483 3.288 20 30 GGEDMN CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000823961910 1441613644 /nfs/dbraw/zinc/61/36/44/1441613644.db2.gz CALHAMLBDZSDMW-MRXNPFEDSA-N 0 1 394.483 3.288 20 30 GGEDMN CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000823961910 1441613648 /nfs/dbraw/zinc/61/36/48/1441613648.db2.gz CALHAMLBDZSDMW-MRXNPFEDSA-N 0 1 394.483 3.288 20 30 GGEDMN C=CCCC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000735412919 1441692326 /nfs/dbraw/zinc/69/23/26/1441692326.db2.gz MXFPNSADVBBAPU-ZDUSSCGKSA-N 0 1 388.541 3.280 20 30 GGEDMN C=CCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000735412919 1441692331 /nfs/dbraw/zinc/69/23/31/1441692331.db2.gz MXFPNSADVBBAPU-ZDUSSCGKSA-N 0 1 388.541 3.280 20 30 GGEDMN C=CCCC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000735412919 1441692335 /nfs/dbraw/zinc/69/23/35/1441692335.db2.gz MXFPNSADVBBAPU-ZDUSSCGKSA-N 0 1 388.541 3.280 20 30 GGEDMN Clc1ccc(C#CC[NH+]2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000822574746 1441852859 /nfs/dbraw/zinc/85/28/59/1441852859.db2.gz YIDHVBXIAJSYAG-UHFFFAOYSA-N 0 1 393.878 3.415 20 30 GGEDMN C[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000824860402 1441965824 /nfs/dbraw/zinc/96/58/24/1441965824.db2.gz UJRUCNKQAQHBQX-ZDUSSCGKSA-N 0 1 396.886 3.368 20 30 GGEDMN C[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000824860402 1441965827 /nfs/dbraw/zinc/96/58/27/1441965827.db2.gz UJRUCNKQAQHBQX-ZDUSSCGKSA-N 0 1 396.886 3.368 20 30 GGEDMN C[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000824860402 1441965829 /nfs/dbraw/zinc/96/58/29/1441965829.db2.gz UJRUCNKQAQHBQX-ZDUSSCGKSA-N 0 1 396.886 3.368 20 30 GGEDMN C=CCc1cc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1OC ZINC000819759396 1441981201 /nfs/dbraw/zinc/98/12/01/1441981201.db2.gz WFXFIBCFMBNKBP-UHFFFAOYSA-N 0 1 383.427 3.041 20 30 GGEDMN C=CC[NH+](CC=C)[C@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C(C)C ZINC000735419271 1442131518 /nfs/dbraw/zinc/13/15/18/1442131518.db2.gz RGOAVFPEWKBPCS-CQSZACIVSA-N 0 1 395.433 3.391 20 30 GGEDMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824962127 1443358879 /nfs/dbraw/zinc/35/88/79/1443358879.db2.gz OMPHKTUUKKYAGO-CYBMUJFWSA-N 0 1 396.886 3.225 20 30 GGEDMN Cc1nn(-c2ccccc2)c(CN(CCC#N)CC(C)(C)C)c1-c1nnn[n-]1 ZINC000826332072 1443362516 /nfs/dbraw/zinc/36/25/16/1443362516.db2.gz IWVJNKBXPYRMBU-UHFFFAOYSA-N 0 1 378.484 3.123 20 30 GGEDMN Clc1cccc(C#CC[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826353528 1443903710 /nfs/dbraw/zinc/90/37/10/1443903710.db2.gz SXEUXYPPAKNUPM-UHFFFAOYSA-N 0 1 392.894 3.084 20 30 GGEDMN N#Cc1ccc(C[N@@H+]2CCCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000737712751 1446576830 /nfs/dbraw/zinc/57/68/30/1446576830.db2.gz SFKDRXYRHUILPT-UHFFFAOYSA-N 0 1 393.882 3.104 20 30 GGEDMN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000819742823 1446612001 /nfs/dbraw/zinc/61/20/01/1446612001.db2.gz AFUVDKZAVKGFHG-LJQANCHMSA-N 0 1 394.523 3.036 20 30 GGEDMN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000819742823 1446612006 /nfs/dbraw/zinc/61/20/06/1446612006.db2.gz AFUVDKZAVKGFHG-LJQANCHMSA-N 0 1 394.523 3.036 20 30 GGEDMN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000819742823 1446612012 /nfs/dbraw/zinc/61/20/12/1446612012.db2.gz AFUVDKZAVKGFHG-LJQANCHMSA-N 0 1 394.523 3.036 20 30 GGEDMN C[C@H](C#N)Oc1ccc(C[NH2+]CCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735506350 1446734242 /nfs/dbraw/zinc/73/42/42/1446734242.db2.gz WDNCQIGEGLYHRU-OAHLLOKOSA-N 0 1 394.504 3.181 20 30 GGEDMN C=CCOc1cccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000823931661 1446904472 /nfs/dbraw/zinc/90/44/72/1446904472.db2.gz CQLHLXKVHRTSJW-FQEVSTJZSA-N 0 1 377.448 3.005 20 30 GGEDMN C=CCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000823931661 1446904475 /nfs/dbraw/zinc/90/44/75/1446904475.db2.gz CQLHLXKVHRTSJW-FQEVSTJZSA-N 0 1 377.448 3.005 20 30 GGEDMN C=CC[N@H+](Cc1cccc(OCCOC)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823919713 1447152056 /nfs/dbraw/zinc/15/20/56/1447152056.db2.gz NYVBZNPICOLMRJ-UHFFFAOYSA-N 0 1 379.464 3.080 20 30 GGEDMN C=CCC[C@@H]([NH2+]CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823894033 1450012845 /nfs/dbraw/zinc/01/28/45/1450012845.db2.gz FPMCLRZWJHQJOD-LJQANCHMSA-N 0 1 376.464 3.492 20 30 GGEDMN N#Cc1ccccc1N1CCCN(c2c(-c3nnn[n-]3)c[nH+]c3ccccc32)CC1 ZINC000822842679 1450257658 /nfs/dbraw/zinc/25/76/58/1450257658.db2.gz TVZVTTFFFYPWRZ-UHFFFAOYSA-N 0 1 396.458 3.003 20 30 GGEDMN CN1CCO[C@@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)C[C@H]21 ZINC001164667225 719397573 /nfs/dbraw/zinc/39/75/73/719397573.db2.gz NGUIPZXWTBBMTA-QZTJIDSGSA-N 0 1 376.485 3.354 20 30 GGEDMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)cnc2C#N)CC3)cs1 ZINC001164691792 719805939 /nfs/dbraw/zinc/80/59/39/719805939.db2.gz KFIFUHBMXURYTR-UHFFFAOYSA-N 0 1 388.928 3.402 20 30 GGEDMN Cc1nc(CN2CCCC23CCN(c2ncc(C#N)cc2C#N)CC3)cs1 ZINC001164694357 719806745 /nfs/dbraw/zinc/80/67/45/719806745.db2.gz WBNMGJZZPQHINX-UHFFFAOYSA-N 0 1 378.505 3.225 20 30 GGEDMN Cc1nc(CN2CCCC23CCN(c2ncc([N+](=O)[O-])cc2C#N)CC3)cs1 ZINC001164694069 719807462 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C=CCOc1ccc(CNCCNS(=O)(=O)c2cccs2)cc1Cl ZINC000122157370 564402283 /nfs/dbraw/zinc/40/22/83/564402283.db2.gz NDLNCUDIXLDZOU-UHFFFAOYSA-N 0 1 386.926 3.034 20 30 GGEDMN CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000047281178 564516933 /nfs/dbraw/zinc/51/69/33/564516933.db2.gz QGXHIJGAGIEGIP-UHFFFAOYSA-N 0 1 383.926 3.026 20 30 GGEDMN COc1ccc(CN(C)[C@H](CO)c2cccc(Br)c2)cc1C#N ZINC000125564913 564518971 /nfs/dbraw/zinc/51/89/71/564518971.db2.gz NQODPCGWIOSGAB-QGZVFWFLSA-N 0 1 375.266 3.495 20 30 GGEDMN C[C@@H](C#N)NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000125752631 564525740 /nfs/dbraw/zinc/52/57/40/564525740.db2.gz BZBRKRGIJHJCPZ-JTQLQIEISA-N 0 1 398.271 3.436 20 30 GGEDMN CN1CCN(CCCNc2snc(Cl)c2C#N)[C@H](c2ccccc2)C1 ZINC000051914704 564567053 /nfs/dbraw/zinc/56/70/53/564567053.db2.gz ZGFDSPYAUDHXFH-INIZCTEOSA-N 0 1 375.929 3.459 20 30 GGEDMN C=CCN(CCOc1ccc(S(=O)(=O)N(C)C)cc1)Cc1cccs1 ZINC000053781697 564594638 /nfs/dbraw/zinc/59/46/38/564594638.db2.gz HXENLFHFFLIRGX-UHFFFAOYSA-N 0 1 380.535 3.065 20 30 GGEDMN CC(C)(C)c1nc(CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)cs1 ZINC000130203998 564673919 /nfs/dbraw/zinc/67/39/19/564673919.db2.gz UFOQZTBECPOPOH-UHFFFAOYSA-N 0 1 385.461 3.111 20 30 GGEDMN CC(C)[C@@](C)(C#N)NC(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000130738680 564690767 /nfs/dbraw/zinc/69/07/67/564690767.db2.gz MBGNBHJQNWNFEM-QGZVFWFLSA-N 0 1 378.314 3.472 20 30 GGEDMN CN(Cc1csc(Br)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000065513851 564744024 /nfs/dbraw/zinc/74/40/24/564744024.db2.gz NALDGSPHTXWPIT-HNNXBMFYSA-N 0 1 395.322 3.448 20 30 GGEDMN CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)s1 ZINC000065975255 564753958 /nfs/dbraw/zinc/75/39/58/564753958.db2.gz PYALDNWINCCJJO-UHFFFAOYSA-N 0 1 383.926 3.026 20 30 GGEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000066921089 564778639 /nfs/dbraw/zinc/77/86/39/564778639.db2.gz NHTQQLUTSPAXQL-SFHVURJKSA-N 0 1 375.310 3.458 20 30 GGEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000066921279 564778799 /nfs/dbraw/zinc/77/87/99/564778799.db2.gz SVWALDGMFCOUMT-GOSISDBHSA-N 0 1 375.310 3.458 20 30 GGEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000066921088 564778827 /nfs/dbraw/zinc/77/88/27/564778827.db2.gz NHTQQLUTSPAXQL-GOSISDBHSA-N 0 1 375.310 3.458 20 30 GGEDMN N#CCCCCS(=O)(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000068917075 564829556 /nfs/dbraw/zinc/82/95/56/564829556.db2.gz RGALVFBYXJAAOA-UHFFFAOYSA-N 0 1 383.945 3.165 20 30 GGEDMN CN(CCC(=O)Nc1ccccc1C#N)Cc1cc(Br)cn1C ZINC000151467913 564921549 /nfs/dbraw/zinc/92/15/49/564921549.db2.gz ASISKTDIDXCDIE-UHFFFAOYSA-N 0 1 375.270 3.120 20 30 GGEDMN N#Cc1ccc([C@@H](NCCc2cc(Cl)ccc2Br)C(N)=O)cc1 ZINC000152438827 564958746 /nfs/dbraw/zinc/95/87/46/564958746.db2.gz DIOSSWBCPGXWCV-MRXNPFEDSA-N 0 1 392.684 3.333 20 30 GGEDMN CCN(CCC#N)C(=O)CN(C)CC1(c2ccc(Br)cc2)CC1 ZINC000152607927 564964842 /nfs/dbraw/zinc/96/48/42/564964842.db2.gz BUEBHRGSVZTTDQ-UHFFFAOYSA-N 0 1 378.314 3.175 20 30 GGEDMN CC(C)[C@](C)(C#N)NC(=O)CN(C)CC1(c2ccc(Br)cc2)CC1 ZINC000152612645 564965518 /nfs/dbraw/zinc/96/55/18/564965518.db2.gz WZEMPQANLDDYHJ-SFHVURJKSA-N 0 1 392.341 3.467 20 30 GGEDMN [NH2+]=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCOc2ccccc21 ZINC000153465891 564996309 /nfs/dbraw/zinc/99/63/09/564996309.db2.gz OIPCEWSAFGVWFX-AWEZNQCLSA-N 0 1 376.254 3.083 20 30 GGEDMN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cccc(C#N)c2)c1 ZINC000153592043 565001922 /nfs/dbraw/zinc/00/19/22/565001922.db2.gz YWOBEWZSJFBAJB-UHFFFAOYSA-N 0 1 380.267 3.188 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)NCc2csc(-c3ccco3)n2)c(F)c1 ZINC000153645252 565005063 /nfs/dbraw/zinc/00/50/63/565005063.db2.gz PTTAFZAEBUMFSC-UHFFFAOYSA-N 0 1 381.385 3.031 20 30 GGEDMN C=CCN(Cc1ccc(Cl)s1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000110130838 565036005 /nfs/dbraw/zinc/03/60/05/565036005.db2.gz XMWZFLQOEBEGOI-UHFFFAOYSA-N 0 1 381.910 3.412 20 30 GGEDMN C=CCNC(=O)c1ccc(NS(=O)(=O)c2cc(OC)ccc2Cl)cc1 ZINC000112266417 565061213 /nfs/dbraw/zinc/06/12/13/565061213.db2.gz RCLFWCIVXUTBGL-UHFFFAOYSA-N 0 1 380.853 3.065 20 30 GGEDMN N#Cc1ccc(Br)c(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000369595675 565101954 /nfs/dbraw/zinc/10/19/54/565101954.db2.gz FAWUPNFJBFFHAP-LJQANCHMSA-N 0 1 382.261 3.417 20 30 GGEDMN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1nc(C2CC2)no1 ZINC000157150323 565121146 /nfs/dbraw/zinc/12/11/46/565121146.db2.gz MVFGRBPYWAJFHC-AWEZNQCLSA-N 0 1 380.857 3.148 20 30 GGEDMN CC(C)[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1nc(C2CC2)no1 ZINC000184347110 565129778 /nfs/dbraw/zinc/12/97/78/565129778.db2.gz ZFVASQQEFOJXLT-CQSZACIVSA-N 0 1 380.857 3.148 20 30 GGEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(Br)ccc1C ZINC000184810528 565157450 /nfs/dbraw/zinc/15/74/50/565157450.db2.gz QMEPFVUEHYGMNO-UHFFFAOYSA-N 0 1 381.251 3.439 20 30 GGEDMN CC(C)(CN[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1Br ZINC000158517890 565172384 /nfs/dbraw/zinc/17/23/84/565172384.db2.gz DFDXJWPXKGWBFA-KRWDZBQOSA-N 0 1 386.293 3.415 20 30 GGEDMN CN(CCC#N)C(=O)CCN1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185642940 565213711 /nfs/dbraw/zinc/21/37/11/565213711.db2.gz NTNUDRKMCJTIKA-INIZCTEOSA-N 0 1 382.277 3.487 20 30 GGEDMN CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185642924 565213829 /nfs/dbraw/zinc/21/38/29/565213829.db2.gz NTNUDRKMCJTIKA-MRXNPFEDSA-N 0 1 382.277 3.487 20 30 GGEDMN CCCc1ccc(S(=O)(=O)Nc2cc(C#N)c(Br)cn2)cc1 ZINC000185657513 565215073 /nfs/dbraw/zinc/21/50/73/565215073.db2.gz ZDMXQXGJPHNEML-UHFFFAOYSA-N 0 1 380.267 3.469 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2ncc(C3CCC3)cc2Br)o1 ZINC000295185489 565250065 /nfs/dbraw/zinc/25/00/65/565250065.db2.gz JTIOULBDLVQJFG-UHFFFAOYSA-N 0 1 382.239 3.377 20 30 GGEDMN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)o1 ZINC000271544722 565257867 /nfs/dbraw/zinc/25/78/67/565257867.db2.gz AFCUZEMDUCCESF-UHFFFAOYSA-N 0 1 381.479 3.013 20 30 GGEDMN C=CCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000161825114 565294122 /nfs/dbraw/zinc/29/41/22/565294122.db2.gz QNDMZNPWPTVALT-UHFFFAOYSA-N 0 1 380.853 3.104 20 30 GGEDMN CC(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000186959734 565298073 /nfs/dbraw/zinc/29/80/73/565298073.db2.gz TXXAJTRVXZMJSP-UHFFFAOYSA-N 0 1 377.853 3.151 20 30 GGEDMN C=CCS(=O)(=O)CCN[C@H]1CCSc2ccc(Br)cc21 ZINC000272887857 565301271 /nfs/dbraw/zinc/30/12/71/565301271.db2.gz RYRKODSSELMDFR-ZDUSSCGKSA-N 0 1 376.341 3.176 20 30 GGEDMN N#Cc1ccc(N2CCC[C@H](NCc3cncc(Br)c3)C2=O)cc1 ZINC000274265017 565365358 /nfs/dbraw/zinc/36/53/58/565365358.db2.gz OUHFSHIGLZHVDS-KRWDZBQOSA-N 0 1 385.265 3.001 20 30 GGEDMN N#Cc1ccc(CC(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000171099481 565408936 /nfs/dbraw/zinc/40/89/36/565408936.db2.gz NKJRBOVBBIUKIZ-UHFFFAOYSA-N 0 1 382.221 3.287 20 30 GGEDMN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000189035823 565439129 /nfs/dbraw/zinc/43/91/29/565439129.db2.gz SAWCSXSXVNVEFE-ACJLOTCBSA-N 0 1 377.897 3.181 20 30 GGEDMN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000189076364 565442485 /nfs/dbraw/zinc/44/24/85/565442485.db2.gz BRRWZKXCOWOAJN-LBPRGKRZSA-N 0 1 380.853 3.426 20 30 GGEDMN C[C@H](c1ccc(C#N)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000172395268 565483934 /nfs/dbraw/zinc/48/39/34/565483934.db2.gz BYTDQHNTYZYQOK-CQSZACIVSA-N 0 1 375.519 3.124 20 30 GGEDMN CC(C)Sc1cccc(Cl)c1CNCCNC(=O)C1N=CC=CC1=O ZINC000189841353 565491887 /nfs/dbraw/zinc/49/18/87/565491887.db2.gz MMMRLEWFGQBLSF-ZCXUNETKSA-N 0 1 379.913 3.457 20 30 GGEDMN C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ncc(Br)s1 ZINC000378274122 565518636 /nfs/dbraw/zinc/51/86/36/565518636.db2.gz SGGCLCJRDFOBDU-NSHDSACASA-N 0 1 392.326 3.492 20 30 GGEDMN COc1cc(C#N)ccc1CN1CCC(n2cc(Br)cn2)CC1 ZINC000378357872 565524334 /nfs/dbraw/zinc/52/43/34/565524334.db2.gz CALVUNMAWOFMNZ-UHFFFAOYSA-N 0 1 375.270 3.363 20 30 GGEDMN N#CCCCOc1cccnc1NS(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000190415247 565531146 /nfs/dbraw/zinc/53/11/46/565531146.db2.gz ZFZAWXKJJJTZEZ-UHFFFAOYSA-N 0 1 383.832 3.499 20 30 GGEDMN C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)N(C)Cc1ccccc1 ZINC000390750171 565557566 /nfs/dbraw/zinc/55/75/66/565557566.db2.gz COANLTFDKZPGNR-AWEZNQCLSA-N 0 1 377.897 3.010 20 30 GGEDMN COc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2OC)cc1Br ZINC000391238525 565560636 /nfs/dbraw/zinc/56/06/36/565560636.db2.gz FJJOFLPTJQNXEN-UHFFFAOYSA-N 0 1 397.250 3.139 20 30 GGEDMN COc1cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc(OC)c1OC ZINC000393042222 565567507 /nfs/dbraw/zinc/56/75/07/565567507.db2.gz XKYUIMSCZVKBEE-UHFFFAOYSA-N 0 1 382.825 3.038 20 30 GGEDMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(C#N)cc1Br ZINC000278631430 565569211 /nfs/dbraw/zinc/56/92/11/565569211.db2.gz KXVMVVFSDOTDFF-CQSZACIVSA-N 0 1 378.314 3.006 20 30 GGEDMN C=CCC[C@@H](O)CN(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191348399 565597959 /nfs/dbraw/zinc/59/79/59/565597959.db2.gz AHRQABYMZGVSCK-OAHLLOKOSA-N 0 1 386.330 3.358 20 30 GGEDMN CC(C)[C@H](CNc1cc(Br)c(C#N)cc1F)N1CCN(C)CC1 ZINC000323454092 565613577 /nfs/dbraw/zinc/61/35/77/565613577.db2.gz BIAWPWZBBXLTGJ-KRWDZBQOSA-N 0 1 383.309 3.144 20 30 GGEDMN CC(C)[C@@H](CNc1cc(Br)c(C#N)cc1F)N1CCN(C)CC1 ZINC000323454094 565613864 /nfs/dbraw/zinc/61/38/64/565613864.db2.gz BIAWPWZBBXLTGJ-QGZVFWFLSA-N 0 1 383.309 3.144 20 30 GGEDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C#N)c(Br)c1 ZINC000323516963 565614350 /nfs/dbraw/zinc/61/43/50/565614350.db2.gz HLCRFPHREHCIMC-UHFFFAOYSA-N 0 1 396.222 3.338 20 30 GGEDMN N#Cc1ccc(Br)c(CN2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000191776259 565630474 /nfs/dbraw/zinc/63/04/74/565630474.db2.gz RJRHHULNWZMMPP-HNNXBMFYSA-N 0 1 376.298 3.059 20 30 GGEDMN N#Cc1ccc(Br)c(CN2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000191776279 565630499 /nfs/dbraw/zinc/63/04/99/565630499.db2.gz RJRHHULNWZMMPP-OAHLLOKOSA-N 0 1 376.298 3.059 20 30 GGEDMN Cc1cc(C2CC2)nc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)n1 ZINC000191811446 565634070 /nfs/dbraw/zinc/63/40/70/565634070.db2.gz NBVFDAKCHHRYFW-UHFFFAOYSA-N 0 1 393.266 3.097 20 30 GGEDMN O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc(Br)cc2nc[nH]c21 ZINC000328653691 565637240 /nfs/dbraw/zinc/63/72/40/565637240.db2.gz LESDRBXWFMPUGM-LBPRGKRZSA-N 0 1 394.269 3.358 20 30 GGEDMN COc1cnc([NH+]=C([O-])N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000329232807 565659513 /nfs/dbraw/zinc/65/95/13/565659513.db2.gz GHUZOUNDXXHEFK-SECBINFHSA-N 0 1 375.376 3.250 20 30 GGEDMN CN1CC[C@@H](N2CCC(NC(=O)Cc3cc(Cl)ccc3Cl)CC2)C1=O ZINC000329336337 565663344 /nfs/dbraw/zinc/66/33/44/565663344.db2.gz PERDIQBWAJLYFE-MRXNPFEDSA-N 0 1 384.307 3.188 20 30 GGEDMN C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@H+]1C ZINC000329329493 565663540 /nfs/dbraw/zinc/66/35/40/565663540.db2.gz LBKDTSVGUAJPLM-ZJUUUORDSA-N 0 1 382.258 3.217 20 30 GGEDMN C[C@@H]1CN(C[C@@H]2CCCN2C([O-])=[NH+]c2nc3ccsc3s2)C[C@@H](C)O1 ZINC000329408247 565665538 /nfs/dbraw/zinc/66/55/38/565665538.db2.gz DCOGVEAATXFAIC-UPJWGTAASA-N 0 1 380.539 3.477 20 30 GGEDMN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCN(C2CCC2)CC1 ZINC000329428456 565666317 /nfs/dbraw/zinc/66/63/17/565666317.db2.gz JOLOVGJNELENJY-GFCCVEGCSA-N 0 1 384.307 3.383 20 30 GGEDMN O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329470582 565667666 /nfs/dbraw/zinc/66/76/66/565667666.db2.gz YHUZRMCEORNMLT-KGLIPLIRSA-N 0 1 377.901 3.233 20 30 GGEDMN CC(C)Oc1cc(Br)cc(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000174970801 565669844 /nfs/dbraw/zinc/66/98/44/565669844.db2.gz AWXRWPSIFDOBBR-UHFFFAOYSA-N 0 1 396.266 3.304 20 30 GGEDMN N#Cc1ccc(CN2CC[C@H](NCc3cccc(Br)c3)C2=O)cc1 ZINC000192241784 565672356 /nfs/dbraw/zinc/67/23/56/565672356.db2.gz KJWQFZXSPBTOSU-SFHVURJKSA-N 0 1 384.277 3.211 20 30 GGEDMN C[C@@H]1Cc2ccc(Br)cc2CN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329632497 565673622 /nfs/dbraw/zinc/67/36/22/565673622.db2.gz WIMMUOYSLAPOHG-IAQYHMDHSA-N 0 1 389.297 3.390 20 30 GGEDMN N#Cc1ccc(CN2CC[C@@H](NCc3cc(Br)cs3)C2=O)cc1 ZINC000192244986 565674308 /nfs/dbraw/zinc/67/43/08/565674308.db2.gz JKOOLKPISVIMSK-MRXNPFEDSA-N 0 1 390.306 3.273 20 30 GGEDMN O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CCn2ccnc2C1 ZINC000329820085 565682546 /nfs/dbraw/zinc/68/25/46/565682546.db2.gz PHLLHIKUKRLSAQ-CTYIDZIISA-N 0 1 375.270 3.321 20 30 GGEDMN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCn2c(n[nH]c2=O)C1 ZINC000330007282 565688626 /nfs/dbraw/zinc/68/86/26/565688626.db2.gz DLEZGDLNMXKWRB-VHSXEESVSA-N 0 1 384.267 3.212 20 30 GGEDMN O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CCCN1C1CC1 ZINC000330203600 565696928 /nfs/dbraw/zinc/69/69/28/565696928.db2.gz AYGLWGMVLUNGJA-CQSZACIVSA-N 0 1 381.270 3.304 20 30 GGEDMN Cc1cc(Br)c2c(c1)CN(C(=O)N[C@@H]1CCc3c[nH]nc3C1)CC2 ZINC000330197737 565697113 /nfs/dbraw/zinc/69/71/13/565697113.db2.gz SEZQOAYRICUJQM-CQSZACIVSA-N 0 1 389.297 3.310 20 30 GGEDMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000330256755 565699843 /nfs/dbraw/zinc/69/98/43/565699843.db2.gz KXERKIWTLGJXJR-OCCSQVGLSA-N 0 1 385.961 3.470 20 30 GGEDMN Cc1csc([C@@H]2COCCN2C(=O)NC[C@H](c2ccsc2)N(C)C)n1 ZINC000330329700 565701803 /nfs/dbraw/zinc/70/18/03/565701803.db2.gz MUKUVQUMKAVCGH-CABCVRRESA-N 0 1 380.539 3.103 20 30 GGEDMN Cc1csc([C@@H]2COCCN2C(=O)NC[C@@H](c2ccsc2)N(C)C)n1 ZINC000330329701 565702010 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CCN(CCNC(=O)c1ccc(Br)cc1C#N)CCC(F)(F)F ZINC000451382387 566808058 /nfs/dbraw/zinc/80/80/58/566808058.db2.gz GOOAMEKNWIVXMW-UHFFFAOYSA-N 0 1 392.219 3.325 20 30 GGEDMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1 ZINC000451452153 566820566 /nfs/dbraw/zinc/82/05/66/566820566.db2.gz GUFLDHWCNZLZFQ-QWRGUYRKSA-N 0 1 381.889 3.077 20 30 GGEDMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1 ZINC000451452154 566820845 /nfs/dbraw/zinc/82/08/45/566820845.db2.gz GUFLDHWCNZLZFQ-WDEREUQCSA-N 0 1 381.889 3.077 20 30 GGEDMN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)c1ccc(Cl)s1 ZINC000428194702 566823970 /nfs/dbraw/zinc/82/39/70/566823970.db2.gz VGJYDPLCBPODTJ-UHFFFAOYSA-N 0 1 375.881 3.046 20 30 GGEDMN CCCN(C)[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000451525407 566832215 /nfs/dbraw/zinc/83/22/15/566832215.db2.gz ANILMIKJKLHSIW-KRWDZBQOSA-N 0 1 383.945 3.336 20 30 GGEDMN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C(=O)c1ccc(Cl)s1 ZINC000428710770 566873175 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/nfs/dbraw/zinc/71/99/35/567719935.db2.gz IRUPZGZFZSIBCS-UHFFFAOYSA-N 0 1 375.475 3.132 20 30 GGEDMN N#Cc1sccc1N1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000597937514 567727545 /nfs/dbraw/zinc/72/75/45/567727545.db2.gz VUCSUFHHEITPPF-UHFFFAOYSA-N 0 1 392.278 3.050 20 30 GGEDMN CSCC[C@](C)(C#N)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000508099705 567729092 /nfs/dbraw/zinc/72/90/92/567729092.db2.gz DQVPRFRCNXVYBR-GFCCVEGCSA-N 0 1 399.282 3.041 20 30 GGEDMN CN(C)CCN(CC1CCCCC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443121826 567734391 /nfs/dbraw/zinc/73/43/91/567734391.db2.gz SKSUQDWBWQKSGS-UHFFFAOYSA-N 0 1 383.945 3.344 20 30 GGEDMN COc1cc(C)ccc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443363236 567752645 /nfs/dbraw/zinc/75/26/45/567752645.db2.gz AXTLJCGOBSZTJZ-UHFFFAOYSA-N 0 1 381.251 3.439 20 30 GGEDMN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1cc2c(cc1Br)OCCO2 ZINC000598603494 567778937 /nfs/dbraw/zinc/77/89/37/567778937.db2.gz USFCPTOAGOFPGZ-NWDGAFQWSA-N 0 1 383.286 3.172 20 30 GGEDMN COC(=O)CCSc1cccc(NS(=O)(=O)c2ccccc2C#N)c1 ZINC000533689143 567781796 /nfs/dbraw/zinc/78/17/96/567781796.db2.gz DUKZZCYQAPBZJS-UHFFFAOYSA-N 0 1 376.459 3.014 20 30 GGEDMN N#Cc1ncccc1S(=O)(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000443964826 567782618 /nfs/dbraw/zinc/78/26/18/567782618.db2.gz JIQXSPKSPUMIML-CYBMUJFWSA-N 0 1 393.749 3.328 20 30 GGEDMN N#CCN(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000598841783 567794377 /nfs/dbraw/zinc/79/43/77/567794377.db2.gz HNLGYTUKXRHGLW-ZIAGYGMSSA-N 0 1 376.762 3.181 20 30 GGEDMN N#Cc1ccc(N2CCC(NCc3ncc(Br)cc3F)CC2)nc1 ZINC000598960253 567800857 /nfs/dbraw/zinc/80/08/57/567800857.db2.gz CTMAPHCYOYFVME-UHFFFAOYSA-N 0 1 390.260 3.008 20 30 GGEDMN CN1CCN(c2ccc(Br)cc2NC(=O)c2cccc(C#N)c2)CC1 ZINC000534309532 567807631 /nfs/dbraw/zinc/80/76/31/567807631.db2.gz TWOKURCCCREYMP-UHFFFAOYSA-N 0 1 399.292 3.325 20 30 GGEDMN COc1ccccc1-c1n[nH]c(NC(=O)C[C@H](NC(C)=O)c2cccs2)n1 ZINC000048303264 570231802 /nfs/dbraw/zinc/23/18/02/570231802.db2.gz UZKKMZVMFZTBKS-ZDUSSCGKSA-N 0 1 385.449 3.397 20 30 GGEDMN COc1ccc([C@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)c(OC)c1 ZINC000036391728 570674776 /nfs/dbraw/zinc/67/47/76/570674776.db2.gz UMXZHSKIJGXQOE-LAUBAEHRSA-N 0 1 382.460 3.152 20 30 GGEDMN COc1ccc(C=CC(=O)c2[nH]c(-c3ccccc3)nc2C)cc1-c1nn[nH]n1 ZINC000737081598 599155328 /nfs/dbraw/zinc/15/53/28/599155328.db2.gz PHBFWTVRGSCHNK-NTMALXAHSA-N 0 1 386.415 3.470 20 30 GGEDMN CC(C)(C)c1nc(-c2nn[nH]n2)c(N=NCc2ccc3c(c2)CC(C)(C)O3)o1 ZINC000736213750 598787104 /nfs/dbraw/zinc/78/71/04/598787104.db2.gz JDRKIIQWQLLVJF-UHFFFAOYSA-N 0 1 381.440 3.312 20 30 GGEDMN C=C(C)COc1cc(CNCc2cc(-c3nn[nH]n3)ccc2F)ccc1OC ZINC000819722377 599457628 /nfs/dbraw/zinc/45/76/28/599457628.db2.gz HYLQIXOFNKDNJF-UHFFFAOYSA-N 0 1 383.427 3.259 20 30 GGEDMN CC(C)(C)c1nc(-c2nn[nH]n2)c(N=NCc2cccc3c2OC(C)(C)C3)o1 ZINC000736215440 599535272 /nfs/dbraw/zinc/53/52/72/599535272.db2.gz XTEGWWYUUFHMBC-UHFFFAOYSA-N 0 1 381.440 3.312 20 30 GGEDMN N#Cc1ccc(NC(=O)CC[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1Cl ZINC000739122422 599713083 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375.494 3.206 20 30 GGEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000736201933 599855914 /nfs/dbraw/zinc/85/59/14/599855914.db2.gz LAAUWNHKLYPIKK-LSDHHAIUSA-N 0 1 375.494 3.206 20 30 GGEDMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1ccc(OCC#N)cc1)CC2 ZINC000737905497 599924297 /nfs/dbraw/zinc/92/42/97/599924297.db2.gz JZVRRISOUHMICG-LJQANCHMSA-N 0 1 396.443 3.180 20 30 GGEDMN N#Cc1c(NC(=O)CC[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)sc2c1CCC2 ZINC000739092696 600089906 /nfs/dbraw/zinc/08/99/06/600089906.db2.gz HUKIHFYRJFSRMR-UHFFFAOYSA-N 0 1 381.457 3.151 20 30 GGEDMN N#Cc1c(NC(=O)CC[N@@H+]2Cc3ccc(C(=O)[O-])cc3C2)sc2c1CCC2 ZINC000739092696 600089910 /nfs/dbraw/zinc/08/99/10/600089910.db2.gz HUKIHFYRJFSRMR-UHFFFAOYSA-N 0 1 381.457 3.151 20 30 GGEDMN C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C(=O)[O-])c1ccccc1 ZINC000737411782 600212580 /nfs/dbraw/zinc/21/25/80/600212580.db2.gz ALMMOUFZJSNFHZ-SFHVURJKSA-N 0 1 383.473 3.195 20 30 GGEDMN N#Cc1ccccc1NC(=O)CC[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739147277 600328474 /nfs/dbraw/zinc/32/84/74/600328474.db2.gz RLHJGAWVAUMAKB-UHFFFAOYSA-N 0 1 387.386 3.142 20 30 GGEDMN COc1cc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(F)F ZINC000737882184 600562571 /nfs/dbraw/zinc/56/25/71/600562571.db2.gz URLQZKGBBBEZGW-KRWDZBQOSA-N 0 1 376.359 3.426 20 30 GGEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000739103404 600565288 /nfs/dbraw/zinc/56/52/88/600565288.db2.gz AQXOFTDAFAUOJV-YJBOKZPZSA-N 0 1 398.850 3.083 20 30 GGEDMN CN(C[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C ZINC000737409963 600565799 /nfs/dbraw/zinc/56/57/99/600565799.db2.gz OPQHPTDODKEFCO-AEFFLSMTSA-N 0 1 387.480 3.263 20 30 GGEDMN C[C@@H]1CN(Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000736813364 600593493 /nfs/dbraw/zinc/59/34/93/600593493.db2.gz DJAQSZWXJXPOQN-YVHKJVDXSA-N 0 1 393.487 3.083 20 30 GGEDMN O=C([O-])c1cccc(C#Cc2cccc(NC(=O)N3CC[NH+](C4CC4)CC3)c2)c1 ZINC000740212627 600685169 /nfs/dbraw/zinc/68/51/69/600685169.db2.gz MXIQXWFVGMONBR-UHFFFAOYSA-N 0 1 389.455 3.097 20 30 GGEDMN N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739112292 600803791 /nfs/dbraw/zinc/80/37/91/600803791.db2.gz YUTKGOHPTCGQMJ-WOJBJXKFSA-N 0 1 378.428 3.139 20 30 GGEDMN N#Cc1ccc([C@@H](OC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739112289 600803941 /nfs/dbraw/zinc/80/39/41/600803941.db2.gz YUTKGOHPTCGQMJ-VQTJNVASSA-N 0 1 378.428 3.139 20 30 GGEDMN COc1cc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)ccc1OCc1cccc(C#N)c1 ZINC000737881528 601030876 /nfs/dbraw/zinc/03/08/76/601030876.db2.gz RXRXEEKVPXWYAW-IBGZPJMESA-N 0 1 380.444 3.442 20 30 GGEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000739106104 601119426 /nfs/dbraw/zinc/11/94/26/601119426.db2.gz PSDAVKXLFOUMLY-CZUORRHYSA-N 0 1 378.354 3.305 20 30 GGEDMN C[C@@H]1CN(Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000828455695 601299368 /nfs/dbraw/zinc/29/93/68/601299368.db2.gz FFNLIDRWZWKEGJ-YVHKJVDXSA-N 0 1 393.487 3.083 20 30 GGEDMN CN(C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000830718363 601313428 /nfs/dbraw/zinc/31/34/28/601313428.db2.gz QLNZDKXWTKPTNK-FUHWJXTLSA-N 0 1 387.480 3.263 20 30 GGEDMN Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c(C#N)c1C ZINC000833034473 601390067 /nfs/dbraw/zinc/39/00/67/601390067.db2.gz VGZWFWCAMHSFKV-ZDUSSCGKSA-N 0 1 385.489 3.398 20 30 GGEDMN N#Cc1ccc(-c2nnc(C[N@H+]3C[C@@H](C4CCCCC4)C[C@H]3C(=O)[O-])o2)cc1 ZINC000833071184 601430909 /nfs/dbraw/zinc/43/09/09/601430909.db2.gz YCKCBNWAMKXMLU-ROUUACIJSA-N 0 1 380.448 3.464 20 30 GGEDMN N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@@H](C4CCCCC4)C[C@H]3C(=O)[O-])o2)cc1 ZINC000833071184 601430911 /nfs/dbraw/zinc/43/09/11/601430911.db2.gz YCKCBNWAMKXMLU-ROUUACIJSA-N 0 1 380.448 3.464 20 30 GGEDMN N#Cc1ccc(-c2nnc(C[N@H+]3C[C@@H](C4CCCCC4)C[C@@H]3C(=O)[O-])o2)cc1 ZINC000833071186 601431043 /nfs/dbraw/zinc/43/10/43/601431043.db2.gz YCKCBNWAMKXMLU-ZWKOTPCHSA-N 0 1 380.448 3.464 20 30 GGEDMN N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@@H](C4CCCCC4)C[C@@H]3C(=O)[O-])o2)cc1 ZINC000833071186 601431045 /nfs/dbraw/zinc/43/10/45/601431045.db2.gz YCKCBNWAMKXMLU-ZWKOTPCHSA-N 0 1 380.448 3.464 20 30 GGEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1C#N ZINC000832849973 601513741 /nfs/dbraw/zinc/51/37/41/601513741.db2.gz VFRUVHFSYYKARX-UGSOOPFHSA-N 0 1 386.496 3.073 20 30 GGEDMN C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727045 601904410 /nfs/dbraw/zinc/90/44/10/601904410.db2.gz HIWSCDPFUGAANV-SFHVURJKSA-N 0 1 391.349 3.062 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000826027163 601923397 /nfs/dbraw/zinc/92/33/97/601923397.db2.gz UNUGNALYRHGANU-CWTRNNRKSA-N 0 1 375.494 3.012 20 30 GGEDMN C=CCOc1ccc(C[N@H+](CC(=O)N2CCC(C(=O)[O-])CC2)C(C)(C)C)cc1 ZINC000825699411 602324581 /nfs/dbraw/zinc/32/45/81/602324581.db2.gz ZLLRJXBJCYNNJT-UHFFFAOYSA-N 0 1 388.508 3.175 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CC(=O)[O-])C2CCCC2)c1C#N ZINC000832849736 602336146 /nfs/dbraw/zinc/33/61/46/602336146.db2.gz RDKSXWSQLRLYTQ-UHFFFAOYSA-N 0 1 386.496 3.359 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CC(=O)[O-])C2CCCC2)c1C#N ZINC000832849736 602336148 /nfs/dbraw/zinc/33/61/48/602336148.db2.gz RDKSXWSQLRLYTQ-UHFFFAOYSA-N 0 1 386.496 3.359 20 30 GGEDMN N#Cc1c(NC(=O)CC[N@H+](CC(=O)[O-])C2CCCC2)sc2c1CCCC2 ZINC000833067550 602339721 /nfs/dbraw/zinc/33/97/21/602339721.db2.gz FBDQUSQNTAAYDW-UHFFFAOYSA-N 0 1 375.494 3.156 20 30 GGEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000827217389 604456820 /nfs/dbraw/zinc/45/68/20/604456820.db2.gz CNEHRQQTCCEGCO-CQSZACIVSA-N 0 1 375.494 3.349 20 30 GGEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000827217389 604456821 /nfs/dbraw/zinc/45/68/21/604456821.db2.gz CNEHRQQTCCEGCO-CQSZACIVSA-N 0 1 375.494 3.349 20 30 GGEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000825966748 604460861 /nfs/dbraw/zinc/46/08/61/604460861.db2.gz MHPJRVXLZJFFQF-AWEZNQCLSA-N 0 1 375.494 3.206 20 30 GGEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000825966748 604460864 /nfs/dbraw/zinc/46/08/64/604460864.db2.gz MHPJRVXLZJFFQF-AWEZNQCLSA-N 0 1 375.494 3.206 20 30 GGEDMN COc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])cc1OCCCC#N ZINC000832314766 604466880 /nfs/dbraw/zinc/46/68/80/604466880.db2.gz OSXACKCHKFGWDU-IBGZPJMESA-N 0 1 380.444 3.389 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C2(C(=O)[O-])CCCC2)c1C#N ZINC000832849336 604467314 /nfs/dbraw/zinc/46/73/14/604467314.db2.gz DOOIAJXJEFYSOK-UHFFFAOYSA-N 0 1 386.496 3.359 20 30 GGEDMN C[C@H](Oc1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1)C(=O)[O-] ZINC000833539024 604525805 /nfs/dbraw/zinc/52/58/05/604525805.db2.gz FXYUZDJGOYFCHF-SFHVURJKSA-N 0 1 393.487 3.118 20 30 GGEDMN C[C@H](Oc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1)C(=O)[O-] ZINC000833539024 604525808 /nfs/dbraw/zinc/52/58/08/604525808.db2.gz FXYUZDJGOYFCHF-SFHVURJKSA-N 0 1 393.487 3.118 20 30 GGEDMN C[C@H](Oc1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1)C(=O)[O-] ZINC000833539024 604525811 /nfs/dbraw/zinc/52/58/11/604525811.db2.gz FXYUZDJGOYFCHF-SFHVURJKSA-N 0 1 393.487 3.118 20 30 GGEDMN C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1OCC ZINC000263387659 604543959 /nfs/dbraw/zinc/54/39/59/604543959.db2.gz DJOQOWJMBGXPBK-ZDUSSCGKSA-N 0 1 384.270 3.319 20 30 GGEDMN C[C@H](Oc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1)C(=O)[O-] ZINC000833538013 604566466 /nfs/dbraw/zinc/56/64/66/604566466.db2.gz BAHFTJAPEFRQDL-KRWDZBQOSA-N 0 1 379.460 3.122 20 30 GGEDMN CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833393405 604608400 /nfs/dbraw/zinc/60/84/00/604608400.db2.gz KOJWHFQUCJUGKC-NRFANRHFSA-N 0 1 383.492 3.260 20 30 GGEDMN CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](Cc3cccc(C(=O)[O-])c3C#N)C2)o1 ZINC000833511607 604609566 /nfs/dbraw/zinc/60/95/66/604609566.db2.gz ZTFXRLMZTYADRW-INIZCTEOSA-N 0 1 382.464 3.074 20 30 GGEDMN CC(C)c1cnc(CN(C)[C@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3C#N)C2)o1 ZINC000833511607 604609570 /nfs/dbraw/zinc/60/95/70/604609570.db2.gz ZTFXRLMZTYADRW-INIZCTEOSA-N 0 1 382.464 3.074 20 30 GGEDMN C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@@H]1CNC(=O)OC(C)(C)C ZINC000833612804 604613687 /nfs/dbraw/zinc/61/36/87/604613687.db2.gz BYELIUAWXDDKKL-RDTXWAMCSA-N 0 1 387.480 3.382 20 30 GGEDMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@@H]1CNC(=O)OC(C)(C)C ZINC000833612804 604613690 /nfs/dbraw/zinc/61/36/90/604613690.db2.gz BYELIUAWXDDKKL-RDTXWAMCSA-N 0 1 387.480 3.382 20 30 GGEDMN Cc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc(C)c1OCC(=O)[O-] ZINC000833745615 604775939 /nfs/dbraw/zinc/77/59/39/604775939.db2.gz PYBGUBYVMOEQHV-FQEVSTJZSA-N 0 1 380.444 3.212 20 30 GGEDMN Cc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc(C)c1OCC(=O)[O-] ZINC000833745615 604775940 /nfs/dbraw/zinc/77/59/40/604775940.db2.gz PYBGUBYVMOEQHV-FQEVSTJZSA-N 0 1 380.444 3.212 20 30 GGEDMN COc1cc(N[C@@H]2CCC[N@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000832027259 604799190 /nfs/dbraw/zinc/79/91/90/604799190.db2.gz WZUOUOREWZNNJI-UTKZUKDTSA-N 0 1 395.459 3.278 20 30 GGEDMN COc1cc(N[C@H]2CCC[N@H+]([C@H](C(=O)[O-])c3cccc(C#N)c3)C2)cc(OC)c1 ZINC000832026099 604801300 /nfs/dbraw/zinc/80/13/00/604801300.db2.gz GMAOXIPGGRSCBX-UWJYYQICSA-N 0 1 395.459 3.278 20 30 GGEDMN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833604475 604847767 /nfs/dbraw/zinc/84/77/67/604847767.db2.gz ZTBOFXHQHIOKRT-JXORXQGFSA-N 0 1 383.492 3.062 20 30 GGEDMN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833604475 604847770 /nfs/dbraw/zinc/84/77/70/604847770.db2.gz ZTBOFXHQHIOKRT-JXORXQGFSA-N 0 1 383.492 3.062 20 30 GGEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000833421720 604943279 /nfs/dbraw/zinc/94/32/79/604943279.db2.gz ZUKIXGMRSIJHSA-AWEZNQCLSA-N 0 1 375.494 3.064 20 30 GGEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833375689 604944307 /nfs/dbraw/zinc/94/43/07/604944307.db2.gz CZYYCEYFJCXGJG-JKSUJKDBSA-N 0 1 378.538 3.474 20 30 GGEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833411071 604950953 /nfs/dbraw/zinc/95/09/53/604950953.db2.gz LGZMBHOBGQWNKI-QWHCGFSZSA-N 0 1 389.521 3.258 20 30 GGEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000833421003 604952548 /nfs/dbraw/zinc/95/25/48/604952548.db2.gz GGNMDXXDNYSBNE-JKSUJKDBSA-N 0 1 392.459 3.046 20 30 GGEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H]3CC(=O)[O-])sc2C1 ZINC000833617202 604967127 /nfs/dbraw/zinc/96/71/27/604967127.db2.gz OIXNACXZQHBVBZ-CHWSQXEVSA-N 0 1 375.494 3.012 20 30 GGEDMN CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCCCCCCC(=O)[O-])CC1=O ZINC000833698547 605139714 /nfs/dbraw/zinc/13/97/14/605139714.db2.gz XTEMCUBNYVZUQN-UHFFFAOYSA-N 0 1 384.480 3.071 20 30 GGEDMN CC[C@@H]1CC[C@@H](C(=O)C(C#N)c2nc(-c3ccc(-c4nn[nH]n4)cc3)cs2)O1 ZINC000820971475 606839196 /nfs/dbraw/zinc/83/91/96/606839196.db2.gz CNDVBAPQWLSCLU-FMKPAKJESA-N 0 1 394.460 3.124 20 30 GGEDMN CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC(C)c2ccc(F)cc2N(C)C)o1 ZINC000819781700 607035477 /nfs/dbraw/zinc/03/54/77/607035477.db2.gz CZABKZLXHLWYSP-UHFFFAOYSA-N 0 1 386.435 3.094 20 30 GGEDMN C[C@@H]1CC(NC(=O)c2ccccc2SCc2ccc(-c3nn[nH]n3)cc2)=NO1 ZINC000824892500 608207697 /nfs/dbraw/zinc/20/76/97/608207697.db2.gz JJLVJURGEDQBTI-GFCCVEGCSA-N 0 1 394.460 3.011 20 30 GGEDMN COc1ccc(C=NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(Cl)c1OC ZINC000826190490 608536124 /nfs/dbraw/zinc/53/61/24/608536124.db2.gz CVRCOCDZZWCNFY-UHFFFAOYSA-N 0 1 394.222 3.032 20 30 GGEDMN CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccccn2)n[nH]1)c1ccc(Cl)cc1 ZINC000053525851 1406426328 /nfs/dbraw/zinc/42/63/28/1406426328.db2.gz KGIXLXQPEJVVQE-OAHLLOKOSA-N 0 1 384.827 3.376 20 30 GGEDMN CCn1c(SCC(=O)Nc2nc(-c3ccccn3)n[nH]2)nnc1-c1ccco1 ZINC000053525659 1406426397 /nfs/dbraw/zinc/42/63/97/1406426397.db2.gz USCOUDAWUOYIEJ-UHFFFAOYSA-N 0 1 396.436 3.118 20 30 GGEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000053525991 1406426686 /nfs/dbraw/zinc/42/66/86/1406426686.db2.gz XNKCWWNUGYUENP-UHFFFAOYSA-N 0 1 396.414 3.296 20 30 GGEDMN Cc1cccc(NC(=O)[C@@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000054454788 1406741489 /nfs/dbraw/zinc/74/14/89/1406741489.db2.gz GSPMQAXXHNCTGJ-LJQANCHMSA-N 0 1 376.504 3.402 20 30 GGEDMN C[C@H](c1ccccc1)N(C)C(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054643134 1406794186 /nfs/dbraw/zinc/79/41/86/1406794186.db2.gz SDCXNNIXHRBMOU-HXUWFJFHSA-N 0 1 390.531 3.286 20 30 GGEDMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C(C)(C)C#N)ccc1C ZINC000054856100 1406838521 /nfs/dbraw/zinc/83/85/21/1406838521.db2.gz FQSDYIWUSFVADS-UHFFFAOYSA-N 0 1 387.461 3.293 20 30 GGEDMN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000054940230 1406853992 /nfs/dbraw/zinc/85/39/92/1406853992.db2.gz WHYJSJGQFXQOKI-KSSFIOAISA-N 0 1 396.878 3.102 20 30 GGEDMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000054940232 1406854419 /nfs/dbraw/zinc/85/44/19/1406854419.db2.gz WHYJSJGQFXQOKI-KDOFPFPSSA-N 0 1 396.878 3.102 20 30 GGEDMN N#Cc1ccc(OCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000007492120 1398689679 /nfs/dbraw/zinc/68/96/79/1398689679.db2.gz WHUSISLUPAEFEJ-UHFFFAOYSA-N 0 1 383.879 3.371 20 30 GGEDMN N#CCc1ccc(OC[C@@H](O)CN2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000055471984 1406974508 /nfs/dbraw/zinc/97/45/08/1406974508.db2.gz DMVUZZZOBNRWIB-NRFANRHFSA-N 0 1 378.472 3.087 20 30 GGEDMN Cc1ccc(-c2n[nH]c(NC(=O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000008117095 1398805524 /nfs/dbraw/zinc/80/55/24/1398805524.db2.gz AVWGECSIXXXGML-UHFFFAOYSA-N 0 1 375.388 3.054 20 30 GGEDMN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000055548769 1406997648 /nfs/dbraw/zinc/99/76/48/1406997648.db2.gz LIUMJCKQKKKCLC-UHFFFAOYSA-N 0 1 383.351 3.336 20 30 GGEDMN COc1cc(/C=C/C(=O)NC[C@H](c2cccs2)N(C)C)ccc1OCC#N ZINC000015536828 1399170153 /nfs/dbraw/zinc/17/01/53/1399170153.db2.gz DXJKHPLFKYIQIP-MNDMWVCDSA-N 0 1 385.489 3.091 20 30 GGEDMN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)c1 ZINC000016196981 1399220948 /nfs/dbraw/zinc/22/09/48/1399220948.db2.gz JPCGTTQKGBUJME-GFCCVEGCSA-N 0 1 391.430 3.115 20 30 GGEDMN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)c1 ZINC000016196981 1399220956 /nfs/dbraw/zinc/22/09/56/1399220956.db2.gz JPCGTTQKGBUJME-GFCCVEGCSA-N 0 1 391.430 3.115 20 30 GGEDMN CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)OCc1cccc(C#N)c1 ZINC000016415740 1399238859 /nfs/dbraw/zinc/23/88/59/1399238859.db2.gz XBHAVGKUFWAXFT-UHFFFAOYSA-N 0 1 380.425 3.440 20 30 GGEDMN COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000017911442 1399294510 /nfs/dbraw/zinc/29/45/10/1399294510.db2.gz OKSJCJPTFMTSQY-HTAPYJJXSA-N 0 1 393.487 3.287 20 30 GGEDMN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021406098 1399378407 /nfs/dbraw/zinc/37/84/07/1399378407.db2.gz UTSLMPNMCWMVOU-KRWDZBQOSA-N 0 1 380.467 3.232 20 30 GGEDMN COc1ccc([N+](=O)[O-])cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021404906 1399378547 /nfs/dbraw/zinc/37/85/47/1399378547.db2.gz LEOJDWFZYKUWEB-UHFFFAOYSA-N 0 1 380.448 3.183 20 30 GGEDMN C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021406190 1399378962 /nfs/dbraw/zinc/37/89/62/1399378962.db2.gz CULJUMFZHZKXJI-INIZCTEOSA-N 0 1 398.457 3.371 20 30 GGEDMN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021406233 1399379184 /nfs/dbraw/zinc/37/91/84/1399379184.db2.gz QPXHIDMKGUMZBP-INIZCTEOSA-N 0 1 398.457 3.371 20 30 GGEDMN Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)n1 ZINC000021752885 1399406520 /nfs/dbraw/zinc/40/65/20/1399406520.db2.gz KBIWHRNUEQLLIU-AWEZNQCLSA-N 0 1 380.429 3.183 20 30 GGEDMN Cc1csc(C(C#N)C(=O)COC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)n1 ZINC000021752885 1399406535 /nfs/dbraw/zinc/40/65/35/1399406535.db2.gz KBIWHRNUEQLLIU-AWEZNQCLSA-N 0 1 380.429 3.183 20 30 GGEDMN C#CCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000022763094 1399499573 /nfs/dbraw/zinc/49/95/73/1399499573.db2.gz DLHHASIEEIBVHV-UHFFFAOYSA-N 0 1 383.256 3.157 20 30 GGEDMN CN(C(=O)CN1CCCN(Cc2ccc(F)cc2)CC1)C1(C#N)CCCCC1 ZINC000022850999 1399511066 /nfs/dbraw/zinc/51/10/66/1399511066.db2.gz UXJNEGNXWGRHFZ-UHFFFAOYSA-N 0 1 386.515 3.018 20 30 GGEDMN N#Cc1ccc(CN2CCCN(C(=O)CCc3nc4ccccc4o3)CC2)cc1 ZINC000023753173 1399583233 /nfs/dbraw/zinc/58/32/33/1399583233.db2.gz KCXSKJCSDCALDM-UHFFFAOYSA-N 0 1 388.471 3.367 20 30 GGEDMN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000025460517 1399810984 /nfs/dbraw/zinc/81/09/84/1399810984.db2.gz MGUFLGXCFHQZEU-QGZVFWFLSA-N 0 1 377.488 3.279 20 30 GGEDMN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000025460523 1399811125 /nfs/dbraw/zinc/81/11/25/1399811125.db2.gz MGUFLGXCFHQZEU-KRWDZBQOSA-N 0 1 377.488 3.279 20 30 GGEDMN C=CCOc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000025864396 1399842369 /nfs/dbraw/zinc/84/23/69/1399842369.db2.gz DBWQWMJYFWLLTI-UHFFFAOYSA-N 0 1 379.504 3.194 20 30 GGEDMN Cc1cc(NC[C@@H](C(C)C)N2CCOCC2)n2c3ccccc3nc2c1C#N ZINC000026143839 1399864297 /nfs/dbraw/zinc/86/42/97/1399864297.db2.gz KZSOIRCOEBRXHN-FQEVSTJZSA-N 0 1 377.492 3.436 20 30 GGEDMN N#Cc1cccc(NC(=O)CCN2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000026228652 1399871517 /nfs/dbraw/zinc/87/15/17/1399871517.db2.gz AOMKNBVPTNRAAZ-UHFFFAOYSA-N 0 1 382.895 3.358 20 30 GGEDMN CCOc1ccc(CN2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000026340758 1399880108 /nfs/dbraw/zinc/88/01/08/1399880108.db2.gz JMKDUOFHZQWBOD-UHFFFAOYSA-N 0 1 392.503 3.103 20 30 GGEDMN N#Cc1ccc(CN2CCCN(C(=O)NCCc3ccccc3F)CC2)cc1 ZINC000027358851 1400026093 /nfs/dbraw/zinc/02/60/93/1400026093.db2.gz UYURCDIYTHNNJZ-UHFFFAOYSA-N 0 1 380.467 3.157 20 30 GGEDMN N#CCSc1ccccc1NC(=O)CN1CCN(CCc2ccccc2)CC1 ZINC000027576267 1400061077 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GGEDMN Cn1c(C(C#N)=C([O-])c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nc2ccccc21 ZINC000123045932 1414627082 /nfs/dbraw/zinc/62/70/82/1414627082.db2.gz RBCRPONFBQQUDO-HNNXBMFYSA-N 0 1 386.371 3.157 20 30 GGEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000123045932 1414627088 /nfs/dbraw/zinc/62/70/88/1414627088.db2.gz RBCRPONFBQQUDO-HNNXBMFYSA-N 0 1 386.371 3.157 20 30 GGEDMN CCOc1cc(-c2nc3ccc(C#N)cc3[nH]2)ccc1O[C@H](C)C(=O)N(C)C ZINC000123222672 1414672209 /nfs/dbraw/zinc/67/22/09/1414672209.db2.gz SGTIQPXQINRREW-CYBMUJFWSA-N 0 1 378.432 3.356 20 30 GGEDMN N#Cc1csc(CN[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1 ZINC000177701760 1428837484 /nfs/dbraw/zinc/83/74/84/1428837484.db2.gz KWVNTIXNLXFXBV-HNNXBMFYSA-N 0 1 381.379 3.413 20 30 GGEDMN CC(C)(C)c1ccc(S(=O)(=O)CCNCc2cnc3ccc(C#N)cn23)cc1 ZINC000123689984 1414810350 /nfs/dbraw/zinc/81/03/50/1414810350.db2.gz JVFBFXVSEOBROS-UHFFFAOYSA-N 0 1 396.516 3.067 20 30 GGEDMN N#CC(C(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)NC1CCCC1 ZINC000123709381 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20 30 GGEDMN CC(C)c1csc(C(C#N)C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)n1 ZINC000177746983 1428848943 /nfs/dbraw/zinc/84/89/43/1428848943.db2.gz PABOCIVFIHYSFG-MRXNPFEDSA-N 0 1 399.520 3.402 20 30 GGEDMN Cc1oc(NC(=O)CN2CCCN(Cc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000124444439 1414969967 /nfs/dbraw/zinc/96/99/67/1414969967.db2.gz ZFRRXJFDYBXJHG-UHFFFAOYSA-N 0 1 384.455 3.054 20 30 GGEDMN CN(C)CCN(C1CCCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000124445401 1414970009 /nfs/dbraw/zinc/97/00/09/1414970009.db2.gz CZVTWPNWSUTAMS-UHFFFAOYSA-N 0 1 389.443 3.072 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c(F)c1 ZINC000124476814 1414977365 /nfs/dbraw/zinc/97/73/65/1414977365.db2.gz KKMFNMYMXDQWGM-YJBOKZPZSA-N 0 1 392.427 3.283 20 30 GGEDMN N#Cc1ccc(N2CCN(C(=O)c3cc(C4CCCCC4)[nH]n3)CC2)c(F)c1 ZINC000124906762 1415070250 /nfs/dbraw/zinc/07/02/50/1415070250.db2.gz ZICPCRBFJDPEEN-UHFFFAOYSA-N 0 1 381.455 3.431 20 30 GGEDMN COc1ccc(-c2nc(C(=O)C(C#N)C(=O)Nc3ccccn3)cs2)cc1 ZINC000125063087 1415102311 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Cn1c(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc2ccccc21 ZINC000125387969 1415184625 /nfs/dbraw/zinc/18/46/25/1415184625.db2.gz HFRWKMXVMSOZEM-HNNXBMFYSA-N 0 1 383.415 3.179 20 30 GGEDMN COc1ccccc1-c1nc(CN(C)CCCc2[nH]nc(N)c2C#N)cs1 ZINC000125489045 1415212930 /nfs/dbraw/zinc/21/29/30/1415212930.db2.gz DHUXLMBDSAYYBK-UHFFFAOYSA-N 0 1 382.493 3.060 20 30 GGEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H](C)Sc1ccccc1Cl ZINC000125558370 1415226326 /nfs/dbraw/zinc/22/63/26/1415226326.db2.gz CKZOMPCDZAHFNH-KBPBESRZSA-N 0 1 382.913 3.461 20 30 GGEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H](C)Sc1ccccc1Cl ZINC000125558200 1415226333 /nfs/dbraw/zinc/22/63/33/1415226333.db2.gz CKZOMPCDZAHFNH-ZIAGYGMSSA-N 0 1 382.913 3.461 20 30 GGEDMN C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1cc(F)ccc1N1CCN(C)CC1 ZINC000177899423 1428886939 /nfs/dbraw/zinc/88/69/39/1428886939.db2.gz BCIYWQJSYQEAGS-CQSZACIVSA-N 0 1 399.445 3.471 20 30 GGEDMN N#Cc1ccc(N2CC[C@H](Sc3nc(-c4ccccc4F)n[nH]3)C2=O)cc1 ZINC000125917611 1415312226 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CCOc1ccc(NC(=O)CCN2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000137545290 1417390312 /nfs/dbraw/zinc/39/03/12/1417390312.db2.gz ZUQQCVOMEREJTK-QFIPXVFZSA-N 0 1 392.503 3.296 20 30 GGEDMN COc1cc(C#N)ccc1OCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000138623765 1417430496 /nfs/dbraw/zinc/43/04/96/1417430496.db2.gz AJJSNMLVQMVJMW-UHFFFAOYSA-N 0 1 397.500 3.133 20 30 GGEDMN N#CC(C(=O)Nc1ccccn1)C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000138889233 1417439978 /nfs/dbraw/zinc/43/99/78/1417439978.db2.gz FNZQFIRLSNQUCL-CQSZACIVSA-N 0 1 396.403 3.217 20 30 GGEDMN Cc1c(CN2CCSCC2)cccc1NC(=O)COc1ccc(C#N)cc1 ZINC000138969788 1417444218 /nfs/dbraw/zinc/44/42/18/1417444218.db2.gz RNTXPHAJXJVBCE-UHFFFAOYSA-N 0 1 381.501 3.433 20 30 GGEDMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(C#N)c3)n2)c(OC)c1 ZINC000144822535 1417672792 /nfs/dbraw/zinc/67/27/92/1417672792.db2.gz GXIFLSKTFUGHTH-UHFFFAOYSA-N 0 1 395.444 3.091 20 30 GGEDMN CCN(CC)Cc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)o1 ZINC000144932688 1417676722 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/nfs/dbraw/zinc/18/20/33/1431182033.db2.gz HGSFVIJHUIPCPL-NRFANRHFSA-N 0 1 392.503 3.395 20 30 GGEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000185622453 1431186928 /nfs/dbraw/zinc/18/69/28/1431186928.db2.gz LRHNQHDJEFWKAR-UHFFFAOYSA-N 0 1 388.836 3.207 20 30 GGEDMN CCc1noc2ncc(S(=O)(=O)Nc3ccc(OC(C)C)c(C#N)c3)cc12 ZINC000185629879 1431188677 /nfs/dbraw/zinc/18/86/77/1431188677.db2.gz BVVPBTCPDHWIDJ-UHFFFAOYSA-N 0 1 386.433 3.245 20 30 GGEDMN COc1cc(C#N)ccc1S(=O)(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000185650036 1431195847 /nfs/dbraw/zinc/19/58/47/1431195847.db2.gz ORJDUHNRFZREFV-INIZCTEOSA-N 0 1 399.516 3.071 20 30 GGEDMN C=CCN1C(=S)N=NC1c1sc(NC(=O)c2c(O)cccc2F)nc1C ZINC000185708341 1431212430 /nfs/dbraw/zinc/21/24/30/1431212430.db2.gz ZKOATTKFVSASCI-UHFFFAOYSA-N 0 1 391.453 3.282 20 30 GGEDMN Cc1c(-c2cc(CON=C(N)c3ccc(N4CCCCC4)cc3)on2)cnn1C ZINC000186164344 1431345069 /nfs/dbraw/zinc/34/50/69/1431345069.db2.gz QLIGYGSCNPQXBH-UHFFFAOYSA-N 0 1 394.479 3.211 20 30 GGEDMN COCc1c(C(=O)C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccc1 ZINC000186187781 1431348728 /nfs/dbraw/zinc/34/87/28/1431348728.db2.gz BENLVMCQNUKTRM-INIZCTEOSA-N 0 1 385.427 3.395 20 30 GGEDMN Cn1nc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cc1OC(F)F ZINC000186208322 1431352758 /nfs/dbraw/zinc/35/27/58/1431352758.db2.gz UNJCWFQBSKFNPY-MRVPVSSYSA-N 0 1 381.289 3.256 20 30 GGEDMN CN(Cc1nnc[nH]1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000186265844 1431366092 /nfs/dbraw/zinc/36/60/92/1431366092.db2.gz RBTZXFSGMFNXFO-UHFFFAOYSA-N 0 1 376.420 3.114 20 30 GGEDMN N#Cc1ccc(NC(=O)CCN2CCC(O)(c3c(F)cccc3F)CC2)cc1 ZINC000186480105 1431431530 /nfs/dbraw/zinc/43/15/30/1431431530.db2.gz UUDDIIDKSZJRMX-UHFFFAOYSA-N 0 1 385.414 3.149 20 30 GGEDMN C=C(C)[C@@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000186681095 1431490969 /nfs/dbraw/zinc/49/09/69/1431490969.db2.gz MRZGAZJFEKUCHW-KBXCAEBGSA-N 0 1 381.467 3.069 20 30 GGEDMN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCSC3(CCOCC3)C2)cc1 ZINC000186812009 1431524143 /nfs/dbraw/zinc/52/41/43/1431524143.db2.gz ZUULXKIVRPECGW-GOSISDBHSA-N 0 1 387.549 3.228 20 30 GGEDMN Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186948323 1431573931 /nfs/dbraw/zinc/57/39/31/1431573931.db2.gz MCAWQJRZKMNEPY-UHFFFAOYSA-N 0 1 389.864 3.213 20 30 GGEDMN C=CCN1C(=S)N=NC1c1sc(NC(=O)c2c[nH]nc2C2CC2)nc1C ZINC000187103526 1431616082 /nfs/dbraw/zinc/61/60/82/1431616082.db2.gz IHRYPLKVJGUJLC-UHFFFAOYSA-N 0 1 387.494 3.038 20 30 GGEDMN CN1CCN(c2ccc(NCc3cccn3Cc3ccccc3C#N)nc2)CC1 ZINC000187694797 1431801180 /nfs/dbraw/zinc/80/11/80/1431801180.db2.gz HKTSDZLCINUJIP-UHFFFAOYSA-N 0 1 386.503 3.167 20 30 GGEDMN N#Cc1ccc(Oc2ccc(NC(=O)NCCN3CCCOCC3)cc2)cc1 ZINC000187916919 1431826883 /nfs/dbraw/zinc/82/68/83/1431826883.db2.gz WKGPSDJGGSOBHQ-UHFFFAOYSA-N 0 1 380.448 3.194 20 30 GGEDMN C[C@H](c1nnnn1C1CCCCC1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000188563315 1431895554 /nfs/dbraw/zinc/89/55/54/1431895554.db2.gz IZYOERDRMUJYJN-GOSISDBHSA-N 0 1 393.539 3.319 20 30 GGEDMN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(OC2COC2)cc1 ZINC000188594483 1431898355 /nfs/dbraw/zinc/89/83/55/1431898355.db2.gz VBZKGSDVAUCTFB-UHFFFAOYSA-N 0 1 398.362 3.155 20 30 GGEDMN C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CCN1CC(C)(C)O ZINC000188661617 1431923862 /nfs/dbraw/zinc/92/38/62/1431923862.db2.gz KAAHEGHYTATJQT-KRWDZBQOSA-N 0 1 393.487 3.268 20 30 GGEDMN C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CCN1CC(C)(C)O ZINC000188661595 1431924607 /nfs/dbraw/zinc/92/46/07/1431924607.db2.gz KAAHEGHYTATJQT-QGZVFWFLSA-N 0 1 393.487 3.268 20 30 GGEDMN C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCN1CC(C)(C)O ZINC000188753882 1431959342 /nfs/dbraw/zinc/95/93/42/1431959342.db2.gz MCLTWKHJMGNBEK-QGZVFWFLSA-N 0 1 393.487 3.268 20 30 GGEDMN C[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCN1CC(C)(C)O ZINC000188753904 1431959764 /nfs/dbraw/zinc/95/97/64/1431959764.db2.gz MCLTWKHJMGNBEK-KRWDZBQOSA-N 0 1 393.487 3.268 20 30 GGEDMN CN(C)[C@H](CNC(=O)Nc1ncccc1OCCCC#N)c1ccc(F)cc1 ZINC000188773574 1431968757 /nfs/dbraw/zinc/96/87/57/1431968757.db2.gz OYGQWDUVWRAEQZ-QGZVFWFLSA-N 0 1 385.443 3.328 20 30 GGEDMN C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2n[nH]c3c2CCCC3)cc1 ZINC000188826549 1431991158 /nfs/dbraw/zinc/99/11/58/1431991158.db2.gz DCXLXQRBRUGNMJ-UHFFFAOYSA-N 0 1 378.476 3.284 20 30 GGEDMN C[C@H]1CN(Cc2ccc(CNC(=O)c3cccc(F)c3C#N)cc2)C[C@H](C)O1 ZINC000188999865 1432024677 /nfs/dbraw/zinc/02/46/77/1432024677.db2.gz UQYAJCBODUMHIE-HOTGVXAUSA-N 0 1 381.451 3.237 20 30 GGEDMN CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H](O)C(F)(F)F ZINC000189432333 1432108729 /nfs/dbraw/zinc/10/87/29/1432108729.db2.gz DXIMJDRNFXDTQK-AWEZNQCLSA-N 0 1 389.443 3.072 20 30 GGEDMN O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000189894197 1432265644 /nfs/dbraw/zinc/26/56/44/1432265644.db2.gz VINXRPCBKYNLIQ-HNNXBMFYSA-N 0 1 388.393 3.459 20 30 GGEDMN O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000189894217 1432265722 /nfs/dbraw/zinc/26/57/22/1432265722.db2.gz VINXRPCBKYNLIQ-OAHLLOKOSA-N 0 1 388.393 3.459 20 30 GGEDMN C=CCCN(OCc1ccccc1)C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000189893956 1432265747 /nfs/dbraw/zinc/26/57/47/1432265747.db2.gz MVDFGEWLZVTFGH-UHFFFAOYSA-N 0 1 395.484 3.372 20 30 GGEDMN C=CCSc1ccccc1NC(=O)CN[C@]1(CO)C[C@@H](OCC)C1(C)C ZINC000189979454 1432296103 /nfs/dbraw/zinc/29/61/03/1432296103.db2.gz YFQUBZKBWPUEJN-XLIONFOSSA-N 0 1 378.538 3.059 20 30 GGEDMN C=CCSc1ccccc1NC(=O)CN[C@@]1(CO)C[C@@H](OCC)C1(C)C ZINC000189979503 1432296418 /nfs/dbraw/zinc/29/64/18/1432296418.db2.gz YFQUBZKBWPUEJN-YLJYHZDGSA-N 0 1 378.538 3.059 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000190187358 1432336693 /nfs/dbraw/zinc/33/66/93/1432336693.db2.gz NCYWCHGUTLZDNM-CVEARBPZSA-N 0 1 390.553 3.390 20 30 GGEDMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(CCC#N)CC3CC3)c2C1 ZINC000190255785 1432349689 /nfs/dbraw/zinc/34/96/89/1432349689.db2.gz YHBMFDWJXFOBCD-MRXNPFEDSA-N 0 1 382.508 3.137 20 30 GGEDMN CC[C@@H](C#N)Oc1cc(CNC(=O)c2[nH]nc3c2CCCCC3)ccc1OC ZINC000190426717 1432379709 /nfs/dbraw/zinc/37/97/09/1432379709.db2.gz AROILXFQFWKROT-HNNXBMFYSA-N 0 1 382.464 3.298 20 30 GGEDMN Cc1c([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1C(C)(C)C ZINC000190605756 1432418385 /nfs/dbraw/zinc/41/83/85/1432418385.db2.gz NAVPOAMBJIYMGY-FOIQADDNSA-N 0 1 379.508 3.270 20 30 GGEDMN Cc1c([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1C(C)(C)C ZINC000190605772 1432418613 /nfs/dbraw/zinc/41/86/13/1432418613.db2.gz NAVPOAMBJIYMGY-MGPUTAFESA-N 0 1 379.508 3.270 20 30 GGEDMN Cc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] ZINC000190623695 1432423121 /nfs/dbraw/zinc/42/31/21/1432423121.db2.gz OEZQSPXDKIGQIR-BEFAXECRSA-N 0 1 378.432 3.227 20 30 GGEDMN Cc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] ZINC000190623654 1432423308 /nfs/dbraw/zinc/42/33/08/1432423308.db2.gz OEZQSPXDKIGQIR-DNVCBOLYSA-N 0 1 378.432 3.227 20 30 GGEDMN COCc1cc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC ZINC000190624140 1432423608 /nfs/dbraw/zinc/42/36/08/1432423608.db2.gz OWHBSFUNTAVREK-HRAATJIYSA-N 0 1 393.487 3.165 20 30 GGEDMN COc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000190629674 1432425597 /nfs/dbraw/zinc/42/55/97/1432425597.db2.gz AOEAQACSKZTWJA-HNAYVOBHSA-N 0 1 379.460 3.027 20 30 GGEDMN COc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1 ZINC000190631932 1432426741 /nfs/dbraw/zinc/42/67/41/1432426741.db2.gz MDAHNUCBGZOVFD-FOIQADDNSA-N 0 1 379.460 3.027 20 30 GGEDMN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000190670327 1432438778 /nfs/dbraw/zinc/43/87/78/1432438778.db2.gz OVUAWUIYNIPMEO-UHFFFAOYSA-N 0 1 377.322 3.117 20 30 GGEDMN C[C@@H]1CN(c2ccc(C(=O)C(C#N)c3cnc4ccccc4n3)cn2)C[C@H](C)O1 ZINC000190884302 1432519061 /nfs/dbraw/zinc/51/90/61/1432519061.db2.gz SNTWKQYZTNCLKC-UXLLHSPISA-N 0 1 387.443 3.128 20 30 GGEDMN C[C@@H]1CN(c2ccc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cn2)C[C@H](C)O1 ZINC000190884302 1432519069 /nfs/dbraw/zinc/51/90/69/1432519069.db2.gz SNTWKQYZTNCLKC-UXLLHSPISA-N 0 1 387.443 3.128 20 30 GGEDMN C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000191161493 1432579235 /nfs/dbraw/zinc/57/92/35/1432579235.db2.gz PBRJEEJDFPDNSO-UHFFFAOYSA-N 0 1 391.393 3.487 20 30 GGEDMN N#Cc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1F ZINC000191896445 1432749578 /nfs/dbraw/zinc/74/95/78/1432749578.db2.gz QLNQADJTZZEKHN-UHFFFAOYSA-N 0 1 381.407 3.277 20 30 GGEDMN C=CCN(CCOC)C(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 ZINC000191958493 1432767122 /nfs/dbraw/zinc/76/71/22/1432767122.db2.gz UKUNACDJGRVVAN-UHFFFAOYSA-N 0 1 380.920 3.148 20 30 GGEDMN N#CC1(NC(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCCCC1 ZINC000192086510 1432795453 /nfs/dbraw/zinc/79/54/53/1432795453.db2.gz TYNUSBOZYMKBMF-AEFFLSMTSA-N 0 1 379.863 3.241 20 30 GGEDMN N#CCCN(C(=O)CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000192132505 1432803823 /nfs/dbraw/zinc/80/38/23/1432803823.db2.gz ZKINAWOAPGPZNY-CTNGQTDRSA-N 0 1 385.414 3.331 20 30 GGEDMN N#CCCN(C(=O)CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000192132510 1432803900 /nfs/dbraw/zinc/80/39/00/1432803900.db2.gz ZKINAWOAPGPZNY-FPOVZHCZSA-N 0 1 385.414 3.331 20 30 GGEDMN N#Cc1ccc(CN2CC[C@@H](NCc3ccc(OC(F)F)c(F)c3)C2=O)cc1 ZINC000192243065 1432821558 /nfs/dbraw/zinc/82/15/58/1432821558.db2.gz LHJKQCBIXYOVOU-QGZVFWFLSA-N 0 1 389.377 3.189 20 30 GGEDMN N#CCCCOc1cccc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000192243791 1432821682 /nfs/dbraw/zinc/82/16/82/1432821682.db2.gz PLDNIMQUNCHGHQ-JOCHJYFZSA-N 0 1 388.471 3.132 20 30 GGEDMN CCOc1ccc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCC ZINC000192245271 1432822125 /nfs/dbraw/zinc/82/21/25/1432822125.db2.gz XFJFYVKIPRUPIZ-HXUWFJFHSA-N 0 1 393.487 3.246 20 30 GGEDMN N#Cc1ccc(N2CCC[C@@H](N(CCO)[C@@H]3CCc4ccccc43)C2=O)cc1 ZINC000192613959 1432866268 /nfs/dbraw/zinc/86/62/68/1432866268.db2.gz YASMULHVDKTQMR-FGZHOGPDSA-N 0 1 375.472 3.035 20 30 GGEDMN N#Cc1cccc(OCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000192825374 1432895420 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C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001603462421 973317774 /nfs/dbraw/zinc/31/77/74/973317774.db2.gz YOCRBKFVEFSDLH-RDBSUJKOSA-N 0 1 389.521 3.258 20 30 GGEDMN Cn1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(-c2ccc(C#N)cc2)n1 ZINC001605496429 973660990 /nfs/dbraw/zinc/66/09/90/973660990.db2.gz DZLHPHUBGBKRIB-LEWJYISDSA-N 0 1 386.455 3.259 20 30 GGEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC001592226478 977419274 /nfs/dbraw/zinc/41/92/74/977419274.db2.gz ZENIQNLHKUPVIT-UONOGXRCSA-N 0 1 375.494 3.204 20 30 GGEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC001592226479 977419744 /nfs/dbraw/zinc/41/97/44/977419744.db2.gz ZENIQNLHKUPVIT-ZIAGYGMSSA-N 0 1 375.494 3.204 20 30 GGEDMN N#CCCN(C(=O)C[N@@H+]1CCc2ccccc2[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000833066010 979076633 /nfs/dbraw/zinc/07/66/33/979076633.db2.gz SAXAZRVALYCUGX-FQEVSTJZSA-N 0 1 397.862 3.271 20 30 GGEDMN N#CCCN(C(=O)C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000833066010 979076637 /nfs/dbraw/zinc/07/66/37/979076637.db2.gz SAXAZRVALYCUGX-FQEVSTJZSA-N 0 1 397.862 3.271 20 30 GGEDMN N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC000903686787 981013885 /nfs/dbraw/zinc/01/38/85/981013885.db2.gz SOJGIHZLKLIQQF-MRXNPFEDSA-N 0 1 375.881 3.482 20 30 GGEDMN N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC000903686786 981013939 /nfs/dbraw/zinc/01/39/39/981013939.db2.gz SOJGIHZLKLIQQF-INIZCTEOSA-N 0 1 375.881 3.482 20 30 GGEDMN CC[C@](C)(C(=O)[O-])[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC1CC1 ZINC001594778481 981777682 /nfs/dbraw/zinc/77/76/82/981777682.db2.gz SSEZJERNWVXSFW-VBKZILBWSA-N 0 1 385.489 3.438 20 30 GGEDMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC1CC1 ZINC001594778624 981779376 /nfs/dbraw/zinc/77/93/76/981779376.db2.gz XIEGEGIFEFJLCK-KSFYIVLOSA-N 0 1 392.459 3.189 20 30 GGEDMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC1CC1 ZINC001594778623 981779405 /nfs/dbraw/zinc/77/94/05/981779405.db2.gz XIEGEGIFEFJLCK-AOMKIAJQSA-N 0 1 392.459 3.189 20 30 GGEDMN CC[C@H](C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(=O)[O-] ZINC001594984004 982793028 /nfs/dbraw/zinc/79/30/28/982793028.db2.gz YDHOXPOZCXZNBP-OLZOCXBDSA-N 0 1 377.510 3.258 20 30 GGEDMN CC[C@@H](C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(=O)[O-] ZINC001594984005 982793254 /nfs/dbraw/zinc/79/32/54/982793254.db2.gz YDHOXPOZCXZNBP-QWHCGFSZSA-N 0 1 377.510 3.258 20 30 GGEDMN CCC[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001595900166 982950294 /nfs/dbraw/zinc/95/02/94/982950294.db2.gz QICLSVHTHFNBHO-MRXNPFEDSA-N 0 1 387.480 3.478 20 30 GGEDMN C#CC[C@@H]1CCC[N@H+](Cn2ncc3c2ccc(Br)c3C(=O)[O-])C1 ZINC001588434623 983471316 /nfs/dbraw/zinc/47/13/16/983471316.db2.gz OVVMBWPSJMNAPD-GFCCVEGCSA-N 0 1 376.254 3.190 20 30 GGEDMN C#CC[N@H+]1CCCN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])CC1 ZINC001588477581 983517060 /nfs/dbraw/zinc/51/70/60/983517060.db2.gz VDQVTVYDUGTCQM-UHFFFAOYSA-N 0 1 398.484 3.051 20 30 GGEDMN C#CC[N@@H+]1CCCN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])CC1 ZINC001588477581 983517063 /nfs/dbraw/zinc/51/70/63/983517063.db2.gz VDQVTVYDUGTCQM-UHFFFAOYSA-N 0 1 398.484 3.051 20 30 GGEDMN C=C[C@H](Sc1nnc([C@@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588715035 983954583 /nfs/dbraw/zinc/95/45/83/983954583.db2.gz SBOZZJDIJLBAPQ-CABCVRRESA-N 0 1 376.482 3.020 20 30 GGEDMN C=CC[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588731214 984007704 /nfs/dbraw/zinc/00/77/04/984007704.db2.gz FJYWNGMOWGUTJP-BBWFWOEESA-N 0 1 378.444 3.148 20 30 GGEDMN C=CC[C@H]1[N@@H+](CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CCCC1(C)C ZINC001588773947 984150313 /nfs/dbraw/zinc/15/03/13/984150313.db2.gz NRMHKXROPCVTEF-QGZVFWFLSA-N 0 1 388.464 3.177 20 30 GGEDMN C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588832925 984327426 /nfs/dbraw/zinc/32/74/26/984327426.db2.gz YGNQAGQCKVMSOA-KRWDZBQOSA-N 0 1 386.473 3.248 20 30 GGEDMN C=CC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588832925 984327431 /nfs/dbraw/zinc/32/74/31/984327431.db2.gz YGNQAGQCKVMSOA-KRWDZBQOSA-N 0 1 386.473 3.248 20 30 GGEDMN C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001588882351 984462675 /nfs/dbraw/zinc/46/26/75/984462675.db2.gz OLOWKIUKWXTWRJ-FQEVSTJZSA-N 0 1 379.428 3.240 20 30 GGEDMN C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1=S ZINC001588897756 984512960 /nfs/dbraw/zinc/51/29/60/984512960.db2.gz UOCZPHXXCIPZOA-HXUWFJFHSA-N 0 1 384.505 3.163 20 30 GGEDMN C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1=S ZINC001588897756 984512965 /nfs/dbraw/zinc/51/29/65/984512965.db2.gz UOCZPHXXCIPZOA-HXUWFJFHSA-N 0 1 384.505 3.163 20 30 GGEDMN CCOC(=O)c1csc(C2CC[NH+](Cc3cccc(C(=O)[O-])c3C#N)CC2)n1 ZINC001596746346 985064444 /nfs/dbraw/zinc/06/44/44/985064444.db2.gz BOGOZIYWURLWAY-UHFFFAOYSA-N 0 1 399.472 3.269 20 30 GGEDMN C[C@H](C[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1)C(=O)[O-] ZINC001589331472 986186514 /nfs/dbraw/zinc/18/65/14/986186514.db2.gz FPTYEUKNMXKVSJ-UONOGXRCSA-N 0 1 375.494 3.062 20 30 GGEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589341936 986260057 /nfs/dbraw/zinc/26/00/57/986260057.db2.gz QYGORWXLCAMFRJ-MRXNPFEDSA-N 0 1 377.444 3.078 20 30 GGEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589341936 986260072 /nfs/dbraw/zinc/26/00/72/986260072.db2.gz QYGORWXLCAMFRJ-MRXNPFEDSA-N 0 1 377.444 3.078 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589342123 986263716 /nfs/dbraw/zinc/26/37/16/986263716.db2.gz USOXPNLELZLHLG-INIZCTEOSA-N 0 1 377.444 3.078 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589342123 986263724 /nfs/dbraw/zinc/26/37/24/986263724.db2.gz USOXPNLELZLHLG-INIZCTEOSA-N 0 1 377.444 3.078 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589449076 986833466 /nfs/dbraw/zinc/83/34/66/986833466.db2.gz YOCRBKFVEFSDLH-BFHYXJOUSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589449076 986833478 /nfs/dbraw/zinc/83/34/78/986833478.db2.gz YOCRBKFVEFSDLH-BFHYXJOUSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589449077 986833994 /nfs/dbraw/zinc/83/39/94/986833994.db2.gz YOCRBKFVEFSDLH-MELADBBJSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589449077 986834005 /nfs/dbraw/zinc/83/40/05/986834005.db2.gz YOCRBKFVEFSDLH-MELADBBJSA-N 0 1 389.521 3.258 20 30 GGEDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2Cc1cccc(C(=O)[O-])c1C#N ZINC001590003416 988930327 /nfs/dbraw/zinc/93/03/27/988930327.db2.gz CFWBALDZRYYYPH-ZWKOTPCHSA-N 0 1 385.464 3.230 20 30 GGEDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2Cc1cccc(C(=O)[O-])c1C#N ZINC001590003416 988930336 /nfs/dbraw/zinc/93/03/36/988930336.db2.gz CFWBALDZRYYYPH-ZWKOTPCHSA-N 0 1 385.464 3.230 20 30 GGEDMN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001590139965 989406216 /nfs/dbraw/zinc/40/62/16/989406216.db2.gz QOWRRRUUGXIGCN-XOYOTBSWSA-N 0 1 385.464 3.062 20 30 GGEDMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001599878265 989448738 /nfs/dbraw/zinc/44/87/38/989448738.db2.gz UJFPBFQTVBNECA-CHWSQXEVSA-N 0 1 375.494 3.012 20 30 GGEDMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001599878265 989448740 /nfs/dbraw/zinc/44/87/40/989448740.db2.gz UJFPBFQTVBNECA-CHWSQXEVSA-N 0 1 375.494 3.012 20 30 GGEDMN COc1ccccc1NC(=O)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599715795 991452034 /nfs/dbraw/zinc/45/20/34/991452034.db2.gz VOMLXNVXKQYIEG-PXNSSMCTSA-N 0 1 393.443 3.043 20 30 GGEDMN C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598437023 991837246 /nfs/dbraw/zinc/83/72/46/991837246.db2.gz LYLFMEVLAASUSY-IAGOWNOFSA-N 0 1 389.249 3.112 20 30 GGEDMN COc1cccc(OC)c1OC1CC[NH+](Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001599682032 994998327 /nfs/dbraw/zinc/99/83/27/994998327.db2.gz JKQUKBFIILGDFD-UHFFFAOYSA-N 0 1 396.443 3.317 20 30 GGEDMN C[C@H](Oc1ccccc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001593644807 995966623 /nfs/dbraw/zinc/96/66/23/995966623.db2.gz DENHURVKZCZYLC-SFHVURJKSA-N 0 1 393.487 3.118 20 30 GGEDMN C[C@H](Oc1ccccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001593644807 995966624 /nfs/dbraw/zinc/96/66/24/995966624.db2.gz DENHURVKZCZYLC-SFHVURJKSA-N 0 1 393.487 3.118 20 30 GGEDMN C[C@H](Oc1ccccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001593644807 995966626 /nfs/dbraw/zinc/96/66/26/995966626.db2.gz DENHURVKZCZYLC-SFHVURJKSA-N 0 1 393.487 3.118 20 30 GGEDMN C[C@@H](c1ncc(C(=O)[O-])s1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001593732106 996308408 /nfs/dbraw/zinc/30/84/08/996308408.db2.gz NXYYCYFRUMFMQF-LBPRGKRZSA-N 0 1 384.461 3.125 20 30 GGEDMN COC[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC001599193173 997163255 /nfs/dbraw/zinc/16/32/55/997163255.db2.gz ZGWZENORODVSHV-JOCHJYFZSA-N 0 1 380.444 3.203 20 30 GGEDMN COc1ccc([C@@H](O)C2CC[NH+](Cc3cccc(C(=O)[O-])c3C#N)CC2)cc1 ZINC001599532672 997686112 /nfs/dbraw/zinc/68/61/12/997686112.db2.gz UWCFBBLLLCVTGA-OAQYLSRUSA-N 0 1 380.444 3.211 20 30 GGEDMN COc1ccc(C[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@H](CO)C(C)C)cc1 ZINC001599559428 998160912 /nfs/dbraw/zinc/16/09/12/998160912.db2.gz ATKPIZVDOBSOBM-OAQYLSRUSA-N 0 1 382.460 3.284 20 30 GGEDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001599463741 998322066 /nfs/dbraw/zinc/32/20/66/998322066.db2.gz MYAWWRIOTFWSRV-SFHVURJKSA-N 0 1 384.407 3.289 20 30 GGEDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001599463741 998322074 /nfs/dbraw/zinc/32/20/74/998322074.db2.gz MYAWWRIOTFWSRV-SFHVURJKSA-N 0 1 384.407 3.289 20 30 GGEDMN COc1ccc(C#N)cc1C[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1 ZINC001599477015 998549291 /nfs/dbraw/zinc/54/92/91/998549291.db2.gz SYRBUEKWHNXOAD-UHFFFAOYSA-N 0 1 389.249 3.416 20 30 GGEDMN COC(=O)c1cccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1C#N ZINC001598995597 998777086 /nfs/dbraw/zinc/77/70/86/998777086.db2.gz JPEOCYRHWMWKRB-MRXNPFEDSA-N 0 1 392.333 3.279 20 30 GGEDMN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001594292778 999129447 /nfs/dbraw/zinc/12/94/47/999129447.db2.gz UGERWSHTWPAIOQ-LZKLMHIUSA-N 0 1 397.519 3.034 20 30 GGEDMN C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C(=O)[O-])C1 ZINC001594418850 999563236 /nfs/dbraw/zinc/56/32/36/999563236.db2.gz KVJORTCRPOEOHV-IUODEOHRSA-N 0 1 375.494 3.012 20 30 GGEDMN 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CSc1ccccc1NC(=O)CCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000028879433 1400206512 /nfs/dbraw/zinc/20/65/12/1400206512.db2.gz IVGOKXMCFWDOBM-UHFFFAOYSA-N 0 1 394.544 3.427 20 30 GGEDMN N#Cc1ccc(CN2CCN(CCC(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000028879390 1400206592 /nfs/dbraw/zinc/20/65/92/1400206592.db2.gz RYYYNOISFSERQX-UHFFFAOYSA-N 0 1 396.922 3.036 20 30 GGEDMN N#Cc1ccc(CN2CCCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000028960682 1400216687 /nfs/dbraw/zinc/21/66/87/1400216687.db2.gz RIVSJFMAFUUNHH-UHFFFAOYSA-N 0 1 382.895 3.358 20 30 GGEDMN CCOc1ccc(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000028960718 1400216792 /nfs/dbraw/zinc/21/67/92/1400216792.db2.gz NSWGKIFBQWRWJX-UHFFFAOYSA-N 0 1 392.503 3.103 20 30 GGEDMN C=CCc1ccc(OC[C@H](O)CN2CCN(c3cccc(C)c3)CC2)c(OC)c1 ZINC000029632705 1400325681 /nfs/dbraw/zinc/32/56/81/1400325681.db2.gz IBWVDPYYTLCEPW-JOCHJYFZSA-N 0 1 396.531 3.294 20 30 GGEDMN COc1ccc(Cl)cc1CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000029985190 1400392033 /nfs/dbraw/zinc/39/20/33/1400392033.db2.gz XBFAKVWJUXMOHL-UHFFFAOYSA-N 0 1 397.906 3.497 20 30 GGEDMN CCN(CC(=O)NCCc1ccc(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742005 1400407005 /nfs/dbraw/zinc/40/70/05/1400407005.db2.gz PWBIRCCJZJEGOF-KRWDZBQOSA-N 0 1 395.503 3.317 20 30 GGEDMN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741941 1400407118 /nfs/dbraw/zinc/40/71/18/1400407118.db2.gz GONUBJHVXXYPED-GOSISDBHSA-N 0 1 392.503 3.416 20 30 GGEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000056160015 1407233387 /nfs/dbraw/zinc/23/33/87/1407233387.db2.gz JLLJITGPKGYFJR-HZPDHXFCSA-N 0 1 383.467 3.348 20 30 GGEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000056160014 1407233756 /nfs/dbraw/zinc/23/37/56/1407233756.db2.gz JLLJITGPKGYFJR-JKSUJKDBSA-N 0 1 383.467 3.348 20 30 GGEDMN COCCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000056171882 1407239435 /nfs/dbraw/zinc/23/94/35/1407239435.db2.gz ZHNBFTJHGXDEIF-HOTGVXAUSA-N 0 1 397.475 3.270 20 30 GGEDMN COCCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000056171883 1407239984 /nfs/dbraw/zinc/23/99/84/1407239984.db2.gz ZHNBFTJHGXDEIF-CVEARBPZSA-N 0 1 397.475 3.270 20 30 GGEDMN Cc1ccc(I)cc1C(=O)Nc1cc(C#N)ccc1O ZINC000159863769 1424545208 /nfs/dbraw/zinc/54/52/08/1424545208.db2.gz IZSVCSIXCQJURC-UHFFFAOYSA-N 0 1 378.169 3.429 20 30 GGEDMN N#Cc1ccc(CN2CCCN(C(=O)NCCc3c(F)cccc3F)CC2)cc1 ZINC000056420993 1407326787 /nfs/dbraw/zinc/32/67/87/1407326787.db2.gz PBCSOSCSKJUOAX-UHFFFAOYSA-N 0 1 398.457 3.296 20 30 GGEDMN COc1ccc(CCNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000042927650 1403674325 /nfs/dbraw/zinc/67/43/25/1403674325.db2.gz IPFKDTGAKCXLML-UHFFFAOYSA-N 0 1 392.503 3.027 20 30 GGEDMN C[C@H]1CN(Cc2ccc(CNC(=O)Nc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000043329622 1403748079 /nfs/dbraw/zinc/74/80/79/1403748079.db2.gz BNBZNYFGYXXAEL-IRXDYDNUSA-N 0 1 378.476 3.489 20 30 GGEDMN CC(=O)Nc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000043653337 1403797441 /nfs/dbraw/zinc/79/74/41/1403797441.db2.gz CUHUHFYWHZNJAK-UHFFFAOYSA-N 0 1 391.475 3.256 20 30 GGEDMN C=CCNC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000043656690 1403797539 /nfs/dbraw/zinc/79/75/39/1403797539.db2.gz XCLCOBQVTMBPKC-UHFFFAOYSA-N 0 1 375.450 3.112 20 30 GGEDMN C#Cc1cccc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000043985114 1403855572 /nfs/dbraw/zinc/85/55/72/1403855572.db2.gz AZHQBMUZDVMFSI-UHFFFAOYSA-N 0 1 392.503 3.010 20 30 GGEDMN C#Cc1cccc(NC(=O)NCCCN2CCN(c3cccc(C)c3)CC2)c1 ZINC000043983401 1403855583 /nfs/dbraw/zinc/85/55/83/1403855583.db2.gz NSRHHYYSDNKLGM-UHFFFAOYSA-N 0 1 376.504 3.310 20 30 GGEDMN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)oc2c1C(=O)CCC2 ZINC000044566475 1403952208 /nfs/dbraw/zinc/95/22/08/1403952208.db2.gz LZPLTMCHODZCBY-UHFFFAOYSA-N 0 1 379.460 3.183 20 30 GGEDMN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045314436 1404097784 /nfs/dbraw/zinc/09/77/84/1404097784.db2.gz DOYZUHICKJRIQD-UHFFFAOYSA-N 0 1 388.305 3.271 20 30 GGEDMN COCc1cccc(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000046158191 1404316031 /nfs/dbraw/zinc/31/60/31/1404316031.db2.gz OBMNTUWIYPLPPH-UHFFFAOYSA-N 0 1 392.503 3.122 20 30 GGEDMN C#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)c1 ZINC000046328288 1404366185 /nfs/dbraw/zinc/36/61/85/1404366185.db2.gz JXFZSUZUBIUOJO-UHFFFAOYSA-N 0 1 377.425 3.116 20 30 GGEDMN CCOc1ccc(C#N)cc1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000056729274 1407410546 /nfs/dbraw/zinc/41/05/46/1407410546.db2.gz QOJUPIAKOZPTBT-UHFFFAOYSA-N 0 1 379.464 3.138 20 30 GGEDMN C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000046831545 1404606624 /nfs/dbraw/zinc/60/66/24/1404606624.db2.gz OZTHNBNNWIWIQK-UGKGYDQZSA-N 0 1 398.551 3.371 20 30 GGEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000047342962 1404811523 /nfs/dbraw/zinc/81/15/23/1404811523.db2.gz CFUACPQLPWBMKW-UHFFFAOYSA-N 0 1 389.394 3.317 20 30 GGEDMN Cc1cccc(C2N=NC(=S)N2CC(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000047343030 1404811572 /nfs/dbraw/zinc/81/15/72/1404811572.db2.gz YKYXMHGTMPDZSU-UHFFFAOYSA-N 0 1 392.448 3.011 20 30 GGEDMN O=C(Nc1nnc(SCc2ccccc2)s1)N1CCN(CC2CC2)CC1 ZINC000047350468 1404813724 /nfs/dbraw/zinc/81/37/24/1404813724.db2.gz OZMVQQBSWTZGTA-UHFFFAOYSA-N 0 1 389.550 3.404 20 30 GGEDMN COc1ccccc1[C@@H](CNC(=O)NCc1cccc(C#N)c1)N1CCCC1 ZINC000047914860 1404994080 /nfs/dbraw/zinc/99/40/80/1404994080.db2.gz YDFRLJHCXJQGKJ-HXUWFJFHSA-N 0 1 378.476 3.203 20 30 GGEDMN COc1ccccc1[C@@H](CNC(=O)NCc1ccc(C#N)cc1)N1CCCC1 ZINC000047914862 1404994448 /nfs/dbraw/zinc/99/44/48/1404994448.db2.gz USSWOJAXKGGYHY-HXUWFJFHSA-N 0 1 378.476 3.203 20 30 GGEDMN COc1ccccc1[C@@H](CNC(=O)NCC#Cc1ccccc1)N1CCCC1 ZINC000047914898 1404994574 /nfs/dbraw/zinc/99/45/74/1404994574.db2.gz YTLYIWKPXSBDTJ-OAQYLSRUSA-N 0 1 377.488 3.183 20 30 GGEDMN C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000048149437 1405075449 /nfs/dbraw/zinc/07/54/49/1405075449.db2.gz WCFXWPFCQCQZLH-SFHVURJKSA-N 0 1 382.464 3.154 20 30 GGEDMN C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000048161305 1405080554 /nfs/dbraw/zinc/08/05/54/1405080554.db2.gz DCYMJVHNQUNPCP-LJQANCHMSA-N 0 1 384.455 3.166 20 30 GGEDMN C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNCc3cccc(C#N)c3)cc2)C1 ZINC000048746635 1405279323 /nfs/dbraw/zinc/27/93/23/1405279323.db2.gz MNUAEQXSVLHIKT-QGZVFWFLSA-N 0 1 383.517 3.269 20 30 GGEDMN C[C@@H]1CN(Cc2ccc(CNC(=O)NCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000048827247 1405300070 /nfs/dbraw/zinc/30/00/70/1405300070.db2.gz GRLDHXGTPLYNRT-QZTJIDSGSA-N 0 1 392.503 3.167 20 30 GGEDMN C[C@H]1CN(Cc2ccc(CNC(=O)NCc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000048827390 1405300662 /nfs/dbraw/zinc/30/06/62/1405300662.db2.gz BUQPCVOGZWLXOX-ROUUACIJSA-N 0 1 392.503 3.167 20 30 GGEDMN CCc1ccc(OCC(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049392143 1405375756 /nfs/dbraw/zinc/37/57/56/1405375756.db2.gz CBCZIPAPAWRRIT-QGZVFWFLSA-N 0 1 388.431 3.015 20 30 GGEDMN CCCOc1cccc(C(=O)[C@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000049395302 1405375999 /nfs/dbraw/zinc/37/59/99/1405375999.db2.gz ROCKDTFFUKJJIQ-KRWDZBQOSA-N 0 1 388.431 3.476 20 30 GGEDMN CCCOc1cccc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000049395302 1405376008 /nfs/dbraw/zinc/37/60/08/1405376008.db2.gz ROCKDTFFUKJJIQ-KRWDZBQOSA-N 0 1 388.431 3.476 20 30 GGEDMN CCn1c(C)cc(C(=O)[C@@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)c1C ZINC000049394603 1405376309 /nfs/dbraw/zinc/37/63/09/1405376309.db2.gz HPIVCDFZFZDKCE-MRXNPFEDSA-N 0 1 375.436 3.126 20 30 GGEDMN CCn1c(C)cc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c1C ZINC000049394603 1405376322 /nfs/dbraw/zinc/37/63/22/1405376322.db2.gz HPIVCDFZFZDKCE-MRXNPFEDSA-N 0 1 375.436 3.126 20 30 GGEDMN Cc1cc(C(C#N)C(=O)c2nn(-c3ccccc3F)c3c2CCC3)nc(C)n1 ZINC000049406961 1405377932 /nfs/dbraw/zinc/37/79/32/1405377932.db2.gz BWGYUILMELWNLF-HNNXBMFYSA-N 0 1 375.407 3.397 20 30 GGEDMN Cc1cc([C@H](C#N)C(=O)c2nn(-c3ccccc3F)c3c2CCC3)nc(C)n1 ZINC000049406961 1405377939 /nfs/dbraw/zinc/37/79/39/1405377939.db2.gz BWGYUILMELWNLF-HNNXBMFYSA-N 0 1 375.407 3.397 20 30 GGEDMN COc1ccc([C@@H](CNC(=O)CNc2ccc(C#N)cc2)N2CCCCC2)cc1 ZINC000050025166 1405454452 /nfs/dbraw/zinc/45/44/52/1405454452.db2.gz IFMPYDMOGXCQIO-JOCHJYFZSA-N 0 1 392.503 3.322 20 30 GGEDMN N#CC(C(=O)CCCc1nnc(-c2ccccc2)o1)C(=O)NC1CCCCC1 ZINC000050685434 1405624571 /nfs/dbraw/zinc/62/45/71/1405624571.db2.gz BUOILZJIAWPFJF-QGZVFWFLSA-N 0 1 380.448 3.217 20 30 GGEDMN C=CC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914319 1427690591 /nfs/dbraw/zinc/69/05/91/1427690591.db2.gz FMMQMSYEDDUDCT-UHFFFAOYSA-N 0 1 389.438 3.380 20 30 GGEDMN C=CC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914319 1427690595 /nfs/dbraw/zinc/69/05/95/1427690595.db2.gz FMMQMSYEDDUDCT-UHFFFAOYSA-N 0 1 389.438 3.380 20 30 GGEDMN CCCCNC(=O)[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000051058929 1405715885 /nfs/dbraw/zinc/71/58/85/1405715885.db2.gz AAAXUPIEVNJQKV-PMACEKPBSA-N 0 1 398.551 3.259 20 30 GGEDMN CCCCNC(=O)[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000051059887 1405716834 /nfs/dbraw/zinc/71/68/34/1405716834.db2.gz QCRYROIABKYNSZ-HXUWFJFHSA-N 0 1 398.551 3.178 20 30 GGEDMN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409063 1406044354 /nfs/dbraw/zinc/04/43/54/1406044354.db2.gz SCZXLGITMSZJBU-KNQAVFIVSA-N 0 1 382.552 3.103 20 30 GGEDMN C[C@H](Cc1ccsc1)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052582961 1406089027 /nfs/dbraw/zinc/08/90/27/1406089027.db2.gz OHBCLKIYPNTQII-QGZVFWFLSA-N 0 1 382.533 3.468 20 30 GGEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000056845662 1407453357 /nfs/dbraw/zinc/45/33/57/1407453357.db2.gz VVJPYOSTRBUCIE-UHFFFAOYSA-N 0 1 394.519 3.452 20 30 GGEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)NCCN1CCc2ccccc2C1 ZINC000056863798 1407459118 /nfs/dbraw/zinc/45/91/18/1407459118.db2.gz VHFPFVKOGMUROY-UHFFFAOYSA-N 0 1 379.504 3.451 20 30 GGEDMN N#Cc1cc(NS(=O)(=O)c2c[nH]c3ncccc23)ccc1OCC(F)(F)F ZINC000057118367 1407523414 /nfs/dbraw/zinc/52/34/14/1407523414.db2.gz NJCKISUYBLLUNJ-UHFFFAOYSA-N 0 1 396.350 3.176 20 30 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379.420 3.367 20 30 GGEDMN C=CCOc1cccc(NC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)c1 ZINC000118015715 1413096798 /nfs/dbraw/zinc/09/67/98/1413096798.db2.gz SENCGVLZHKRSEY-UHFFFAOYSA-N 0 1 379.420 3.367 20 30 GGEDMN Cn1c2ccccc2nc1-c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000118161654 1413118246 /nfs/dbraw/zinc/11/82/46/1413118246.db2.gz OUCQQFDUWVOEEC-UHFFFAOYSA-N 0 1 389.440 3.308 20 30 GGEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@H]2C(C)(C)O)c1C#N ZINC000118994993 1413296719 /nfs/dbraw/zinc/29/67/19/1413296719.db2.gz RLJBKXWNCVKYAI-IBGZPJMESA-N 0 1 380.492 3.140 20 30 GGEDMN N#CCCN(CCC#N)C(=O)CN1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000119139763 1413352820 /nfs/dbraw/zinc/35/28/20/1413352820.db2.gz WGNLZKMZDBPYPG-QHCPKHFHSA-N 0 1 386.499 3.484 20 30 GGEDMN C=CCOc1ccc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000119473916 1413459587 /nfs/dbraw/zinc/45/95/87/1413459587.db2.gz SEMIAQWQJIAZHL-HNNXBMFYSA-N 0 1 390.505 3.100 20 30 GGEDMN COC(=O)[C@H](C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000177411048 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GGEDMN C=CCOc1cccc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000122895027 1414591335 /nfs/dbraw/zinc/59/13/35/1414591335.db2.gz NHJMEQVVWLLACZ-KNQAVFIVSA-N 0 1 395.503 3.256 20 30 GGEDMN CCOc1cc(-c2nc3ccc(C#N)cc3[nH]2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000123222470 1414672029 /nfs/dbraw/zinc/67/20/29/1414672029.db2.gz SGTIQPXQINRREW-ZDUSSCGKSA-N 0 1 378.432 3.356 20 30 GGEDMN C#CCNC(=O)c1ccccc1NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000123435901 1414730457 /nfs/dbraw/zinc/73/04/57/1414730457.db2.gz OLUKWIJDIZRTQK-UHFFFAOYSA-N 0 1 388.427 3.009 20 30 GGEDMN CNS(=O)(=O)c1ccc(-c2ccc(-c3nc4ccc(C#N)cc4[nH]3)o2)cc1 ZINC000123822732 1414829634 /nfs/dbraw/zinc/82/96/34/1414829634.db2.gz PYSDUCAYIXXUMU-UHFFFAOYSA-N 0 1 378.413 3.270 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)NC[C@@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000124026136 1414872054 /nfs/dbraw/zinc/87/20/54/1414872054.db2.gz UUTILZKOARMHGC-HNNXBMFYSA-N 0 1 397.472 3.013 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)c(F)c1 ZINC000124030117 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CCN(C)[C@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1 ZINC000127565808 1415811201 /nfs/dbraw/zinc/81/12/01/1415811201.db2.gz FNJYALRRSKZTKI-QFIPXVFZSA-N 0 1 392.503 3.151 20 30 GGEDMN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000127601491 1415817556 /nfs/dbraw/zinc/81/75/56/1415817556.db2.gz XBLURXOVCOCKSR-JYJNAYRXSA-N 0 1 381.476 3.492 20 30 GGEDMN N#CC(C(=O)Nc1ccccn1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127686625 1415833151 /nfs/dbraw/zinc/83/31/51/1415833151.db2.gz RVGAALTXVHJVLE-ZDUSSCGKSA-N 0 1 393.384 3.074 20 30 GGEDMN Cc1noc(C)c1C[C@H](C)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000128225375 1415943817 /nfs/dbraw/zinc/94/38/17/1415943817.db2.gz ZSKPRXQSIFBMJO-INIZCTEOSA-N 0 1 395.507 3.012 20 30 GGEDMN CN1CCN(CCOc2ccc(NC(=O)c3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC000128279756 1415953728 /nfs/dbraw/zinc/95/37/28/1415953728.db2.gz HUJOOSFHAKVYKT-UHFFFAOYSA-N 0 1 398.894 3.090 20 30 GGEDMN CCS[C@@H](C)c1noc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000178248412 1429031832 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GGEDMN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152126311 1418151243 /nfs/dbraw/zinc/15/12/43/1418151243.db2.gz GKCQYEZPWJWSNL-WFASDCNBSA-N 0 1 398.898 3.414 20 30 GGEDMN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000152126311 1418151250 /nfs/dbraw/zinc/15/12/50/1418151250.db2.gz GKCQYEZPWJWSNL-WFASDCNBSA-N 0 1 398.898 3.414 20 30 GGEDMN N#CCSc1ccccc1NC(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152248292 1418183845 /nfs/dbraw/zinc/18/38/45/1418183845.db2.gz MLTRFZFWVSFWHA-HNNXBMFYSA-N 0 1 396.520 3.116 20 30 GGEDMN N#CCSc1ccccc1NC(=O)CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000152248292 1418183852 /nfs/dbraw/zinc/18/38/52/1418183852.db2.gz MLTRFZFWVSFWHA-HNNXBMFYSA-N 0 1 396.520 3.116 20 30 GGEDMN Cc1sc(NC(=O)CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(C#N)c1C ZINC000152279742 1418193195 /nfs/dbraw/zinc/19/31/95/1418193195.db2.gz SUOXWGHGAGMGLV-AWEZNQCLSA-N 0 1 384.509 3.050 20 30 GGEDMN Cc1sc(NC(=O)CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(C#N)c1C ZINC000152279742 1418193199 /nfs/dbraw/zinc/19/31/99/1418193199.db2.gz SUOXWGHGAGMGLV-AWEZNQCLSA-N 0 1 384.509 3.050 20 30 GGEDMN C[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)C[N@H+]1Cc1ccccc1 ZINC000820643235 1429245105 /nfs/dbraw/zinc/24/51/05/1429245105.db2.gz SKCITCBETMTJJT-CYBMUJFWSA-N 0 1 394.483 3.215 20 30 GGEDMN C[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C[N@@H+]1Cc1ccccc1 ZINC000820643235 1429245111 /nfs/dbraw/zinc/24/51/11/1429245111.db2.gz SKCITCBETMTJJT-CYBMUJFWSA-N 0 1 394.483 3.215 20 30 GGEDMN C[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C[N@H+]1Cc1ccccc1 ZINC000820643235 1429245114 /nfs/dbraw/zinc/24/51/14/1429245114.db2.gz SKCITCBETMTJJT-CYBMUJFWSA-N 0 1 394.483 3.215 20 30 GGEDMN CN(CCC#N)C(=O)CCN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000179197468 1429291904 /nfs/dbraw/zinc/29/19/04/1429291904.db2.gz WBZASMSKUODCLU-INIZCTEOSA-N 0 1 397.306 3.158 20 30 GGEDMN Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000179268555 1429309105 /nfs/dbraw/zinc/30/91/05/1429309105.db2.gz WYUROXWBUXZNKR-UHFFFAOYSA-N 0 1 387.436 3.043 20 30 GGEDMN C=CCc1ccc(OCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(OC)c1 ZINC000179330601 1429331112 /nfs/dbraw/zinc/33/11/12/1429331112.db2.gz YLFFXHZXAVIDQP-KRWDZBQOSA-N 0 1 396.491 3.204 20 30 GGEDMN N#Cc1ccc(CSCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179359274 1429343357 /nfs/dbraw/zinc/34/33/57/1429343357.db2.gz QGQNELAFBHCNEW-QGZVFWFLSA-N 0 1 381.505 3.193 20 30 GGEDMN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000179470546 1429386263 /nfs/dbraw/zinc/38/62/63/1429386263.db2.gz YYAUBPQQLAKJOH-LEWJYISDSA-N 0 1 393.487 3.142 20 30 GGEDMN CC[C@@H](NCc1cc(C#N)ccc1OC)c1ccccc1OCC(=O)N(C)C ZINC000179727269 1429524778 /nfs/dbraw/zinc/52/47/78/1429524778.db2.gz COXYWJYBKIHLSB-LJQANCHMSA-N 0 1 381.476 3.275 20 30 GGEDMN N#Cc1ccc(O)c(NC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)c1 ZINC000179728824 1429525722 /nfs/dbraw/zinc/52/57/22/1429525722.db2.gz AAIAMBPLZQYKRW-UHFFFAOYSA-N 0 1 391.284 3.255 20 30 GGEDMN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000179742653 1429532694 /nfs/dbraw/zinc/53/26/94/1429532694.db2.gz GIKXSQNQAWYUDA-KUHUBIRLSA-N 0 1 377.444 3.202 20 30 GGEDMN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC[C@H]2C[C@@H](C)O)c1C#N ZINC000152576879 1422150658 /nfs/dbraw/zinc/15/06/58/1422150658.db2.gz ZKHCYDBKHJGVLU-KDOFPFPSSA-N 0 1 398.482 3.279 20 30 GGEDMN Cc1oc(NC(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C#N)c1C ZINC000179767657 1429549454 /nfs/dbraw/zinc/54/94/54/1429549454.db2.gz YFQAFFOKVIYDSB-ZDUSSCGKSA-N 0 1 380.448 3.406 20 30 GGEDMN CCCN1c2ccc(NS(=O)(=O)c3cccc(C)c3C#N)cc2CCC1=O ZINC000179768171 1429550342 /nfs/dbraw/zinc/55/03/42/1429550342.db2.gz DGNCNQSTVHPIME-UHFFFAOYSA-N 0 1 383.473 3.357 20 30 GGEDMN N#Cc1ccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)[nH]1 ZINC000153301260 1422453279 /nfs/dbraw/zinc/45/32/79/1422453279.db2.gz TZGYBMVESOCHTJ-UHFFFAOYSA-N 0 1 376.382 3.253 20 30 GGEDMN N#CCc1ccc(OC[C@@H](O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153315560 1422463354 /nfs/dbraw/zinc/46/33/54/1422463354.db2.gz YAIDVHXHUGYDTQ-FQEVSTJZSA-N 0 1 381.432 3.065 20 30 GGEDMN N#CCc1ccc(OC[C@H](O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153315676 1422463924 /nfs/dbraw/zinc/46/39/24/1422463924.db2.gz YAIDVHXHUGYDTQ-HXUWFJFHSA-N 0 1 381.432 3.065 20 30 GGEDMN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153341030 1422479406 /nfs/dbraw/zinc/47/94/06/1422479406.db2.gz KWVSKNHAWAVJTI-JTQLQIEISA-N 0 1 395.294 3.062 20 30 GGEDMN Cn1c2cc(C(=O)C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc2[nH]c1=O ZINC000153350192 1422484282 /nfs/dbraw/zinc/48/42/82/1422484282.db2.gz MWWSLMKLAAKTKC-OAHLLOKOSA-N 0 1 399.435 3.352 20 30 GGEDMN C=CCn1c(CCN2CCCCC2)nn(CN(CC#N)C2CCCC2)c1=S ZINC000153419720 1422525067 /nfs/dbraw/zinc/52/50/67/1422525067.db2.gz NDAQVFTWZFFMKE-UHFFFAOYSA-N 0 1 388.585 3.354 20 30 GGEDMN N#CCC[C@H](NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)c1ccccc1 ZINC000153706554 1422713210 /nfs/dbraw/zinc/71/32/10/1422713210.db2.gz YUHCPJWIBHCWDD-KRWDZBQOSA-N 0 1 392.484 3.237 20 30 GGEDMN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000154288615 1422867703 /nfs/dbraw/zinc/86/77/03/1422867703.db2.gz QHRKMRQBELASRM-UHFFFAOYSA-N 0 1 383.351 3.336 20 30 GGEDMN COC(=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000154295975 1422868753 /nfs/dbraw/zinc/86/87/53/1422868753.db2.gz KFDXGTXSAXDQSO-UHFFFAOYSA-N 0 1 384.335 3.164 20 30 GGEDMN N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000154381062 1422881333 /nfs/dbraw/zinc/88/13/33/1422881333.db2.gz OPCKIWVPTKNQNK-LJQANCHMSA-N 0 1 396.878 3.103 20 30 GGEDMN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000154449130 1422890207 /nfs/dbraw/zinc/89/02/07/1422890207.db2.gz BQGLEEHENQVDSQ-UHFFFAOYSA-N 0 1 393.350 3.163 20 30 GGEDMN COc1ccccc1N1CC[C@H](NCc2cccc(OCCCC#N)c2)C1=O ZINC000154454434 1422890791 /nfs/dbraw/zinc/89/07/91/1422890791.db2.gz WAMUSVWRCFCFGE-IBGZPJMESA-N 0 1 379.460 3.273 20 30 GGEDMN Cc1oc(NC(=O)CN(CCCO)[C@H]2CCCc3ccccc32)c(C#N)c1C ZINC000154612432 1422962422 /nfs/dbraw/zinc/96/24/22/1422962422.db2.gz ZSKBRZAWNSHSSR-FQEVSTJZSA-N 0 1 381.476 3.469 20 30 GGEDMN COc1cccc(N2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000179883776 1429623583 /nfs/dbraw/zinc/62/35/83/1429623583.db2.gz URDWCWWXUMFGQJ-UHFFFAOYSA-N 0 1 387.487 3.290 20 30 GGEDMN C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735399214 1423228356 /nfs/dbraw/zinc/22/83/56/1423228356.db2.gz QNDJHTGSXXRBOI-ZDUSSCGKSA-N 0 1 388.541 3.422 20 30 GGEDMN C=CCCOCCNC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000155319357 1423315608 /nfs/dbraw/zinc/31/56/08/1423315608.db2.gz GZFMXYMLRJEJMP-UHFFFAOYSA-N 0 1 394.518 3.180 20 30 GGEDMN CS(=O)(=O)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc32)cs1 ZINC000155575364 1423426456 /nfs/dbraw/zinc/42/64/56/1423426456.db2.gz REFUFGHPHNXNCI-OAHLLOKOSA-N 0 1 398.465 3.266 20 30 GGEDMN CS(=O)(=O)c1cc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)cs1 ZINC000155575364 1423426463 /nfs/dbraw/zinc/42/64/63/1423426463.db2.gz REFUFGHPHNXNCI-OAHLLOKOSA-N 0 1 398.465 3.266 20 30 GGEDMN C[C@@H](NC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)c1nncn1C ZINC000155676206 1423481843 /nfs/dbraw/zinc/48/18/43/1423481843.db2.gz HDDXKRMOPHAADA-ZWNOBZJWSA-N 0 1 386.868 3.077 20 30 GGEDMN Cc1ccc2nc([C@H]3CCCN(C(=O)C#Cc4ccc5c(c4)OCO5)C3)[nH]c2c1 ZINC000155740869 1423512037 /nfs/dbraw/zinc/51/20/37/1423512037.db2.gz YPPAPZSKXKGEAP-KRWDZBQOSA-N 0 1 387.439 3.358 20 30 GGEDMN N#Cc1ccc(NC(=O)CN(Cc2ccccc2)[C@H](CO)C2CC2)cc1Cl ZINC000155922986 1423595707 /nfs/dbraw/zinc/59/57/07/1423595707.db2.gz MAMYQMYHOOLGAJ-HXUWFJFHSA-N 0 1 383.879 3.423 20 30 GGEDMN Cc1sc(NC(=O)CN(Cc2ccccc2)[C@H](CO)C2CC2)c(C#N)c1C ZINC000155979358 1423618238 /nfs/dbraw/zinc/61/82/38/1423618238.db2.gz KMMAARRAHZRBKP-LJQANCHMSA-N 0 1 383.517 3.448 20 30 GGEDMN CC(C)OCCCNC(=O)C1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000156120437 1423680972 /nfs/dbraw/zinc/68/09/72/1423680972.db2.gz CEQLHAZCCWASHX-UHFFFAOYSA-N 0 1 376.928 3.335 20 30 GGEDMN CN(CCC#N)c1ccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000825914387 1423724295 /nfs/dbraw/zinc/72/42/95/1423724295.db2.gz CAPRNACWHGYZTQ-UHFFFAOYSA-N 0 1 387.491 3.381 20 30 GGEDMN C[C@@H](CCN(C)Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820242190 1423811708 /nfs/dbraw/zinc/81/17/08/1423811708.db2.gz LTBDMZMAGPTCNG-KRWDZBQOSA-N 0 1 389.507 3.081 20 30 GGEDMN C[C@@H](CCN(C)Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820242190 1423811716 /nfs/dbraw/zinc/81/17/16/1423811716.db2.gz LTBDMZMAGPTCNG-KRWDZBQOSA-N 0 1 389.507 3.081 20 30 GGEDMN C[C@@H](CCN(C)Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820242190 1423811725 /nfs/dbraw/zinc/81/17/25/1423811725.db2.gz LTBDMZMAGPTCNG-KRWDZBQOSA-N 0 1 389.507 3.081 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCCOc3c(F)cccc32)c(F)c1 ZINC000179992841 1429679557 /nfs/dbraw/zinc/67/95/57/1429679557.db2.gz ZLVWZAFAJNMLQA-HNNXBMFYSA-N 0 1 382.363 3.168 20 30 GGEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000156997332 1423899426 /nfs/dbraw/zinc/89/94/26/1423899426.db2.gz HGYBOMXUSNPIEF-SJORKVTESA-N 0 1 377.916 3.439 20 30 GGEDMN Cc1cccc(Cl)c1NC(=O)CO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000157069590 1423917232 /nfs/dbraw/zinc/91/72/32/1423917232.db2.gz COPZYRDXPDYLQH-LPYMAVHISA-N 0 1 387.867 3.474 20 30 GGEDMN C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)cc1 ZINC000157099776 1423924923 /nfs/dbraw/zinc/92/49/23/1423924923.db2.gz AQBMSFQOVBEFEE-UHFFFAOYSA-N 0 1 376.416 3.253 20 30 GGEDMN N#Cc1ccc(CN2CCCN(C(=O)NCc3nc(C4CC4)cs3)CC2)cc1 ZINC000157176209 1423945810 /nfs/dbraw/zinc/94/58/10/1423945810.db2.gz RXADNVAQAMHMHR-UHFFFAOYSA-N 0 1 395.532 3.310 20 30 GGEDMN N#CCC[C@@H](NC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccccc1 ZINC000157195689 1423952823 /nfs/dbraw/zinc/95/28/23/1423952823.db2.gz WBHCTTLFRUUDQP-HXUWFJFHSA-N 0 1 384.524 3.366 20 30 GGEDMN N#C[C@H]1CN(Cc2cccc(Br)c2O)CCN1Cc1ccccc1 ZINC000157321632 1423983955 /nfs/dbraw/zinc/98/39/55/1423983955.db2.gz KXADYHIGXOGZAH-KRWDZBQOSA-N 0 1 386.293 3.365 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ZRHUKURTUKHSDB-KRWDZBQOSA-N 0 1 382.265 3.483 20 30 GGEDMN N#CC1(c2ccccc2)CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000826380809 1443545093 /nfs/dbraw/zinc/54/50/93/1443545093.db2.gz NCCZKVGMXWKJMK-UHFFFAOYSA-N 0 1 376.439 3.500 20 30 GGEDMN COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1-c1nnn[n-]1 ZINC000826193560 1443837715 /nfs/dbraw/zinc/83/77/15/1443837715.db2.gz HONFQSYXOFYCBD-UHFFFAOYSA-N 0 1 376.464 3.405 20 30 GGEDMN COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1-c1nn[n-]n1 ZINC000826193560 1443837718 /nfs/dbraw/zinc/83/77/18/1443837718.db2.gz HONFQSYXOFYCBD-UHFFFAOYSA-N 0 1 376.464 3.405 20 30 GGEDMN COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1-c1nn[n-]n1 ZINC000826193560 1443837721 /nfs/dbraw/zinc/83/77/21/1443837721.db2.gz HONFQSYXOFYCBD-UHFFFAOYSA-N 0 1 376.464 3.405 20 30 GGEDMN COc1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OCCCC#N ZINC000821804275 1444029891 /nfs/dbraw/zinc/02/98/91/1444029891.db2.gz KWPHYLJWKCMVDH-OAHLLOKOSA-N 0 1 392.463 3.409 20 30 GGEDMN CCC[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736478511 1446276156 /nfs/dbraw/zinc/27/61/56/1446276156.db2.gz CJUXFNYDNRROSN-UHFFFAOYSA-N 0 1 392.463 3.038 20 30 GGEDMN C[C@H]([NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(C#N)cc1 ZINC000824548088 1446301779 /nfs/dbraw/zinc/30/17/79/1446301779.db2.gz VCTINDMWROFWOJ-INIZCTEOSA-N 0 1 387.491 3.054 20 30 GGEDMN N#Cc1c(C[NH+]2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cn2ccccc12 ZINC000737706748 1446504578 /nfs/dbraw/zinc/50/45/78/1446504578.db2.gz YZDQLLOREOELPR-UHFFFAOYSA-N 0 1 399.458 3.034 20 30 GGEDMN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(OC)c(OC)cc1OC ZINC000823915415 1446608810 /nfs/dbraw/zinc/60/88/10/1446608810.db2.gz XGEXYQWPGJSZMO-UHFFFAOYSA-N 0 1 395.463 3.081 20 30 GGEDMN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(OC)c(OC)cc1OC ZINC000823915415 1446608813 /nfs/dbraw/zinc/60/88/13/1446608813.db2.gz XGEXYQWPGJSZMO-UHFFFAOYSA-N 0 1 395.463 3.081 20 30 GGEDMN C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825887595 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20 30 GGEDMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164808855 721577019 /nfs/dbraw/zinc/57/70/19/721577019.db2.gz WAZDUQQFZYVQAZ-AKFKNWHVSA-N 0 1 399.498 3.370 20 30 GGEDMN Cc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c(C#N)c1 ZINC001164907430 721586532 /nfs/dbraw/zinc/58/65/32/721586532.db2.gz SLUGWASMJLHGOR-HXUWFJFHSA-N 0 1 383.446 3.394 20 30 GGEDMN COc1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1C#N ZINC001164906101 721698381 /nfs/dbraw/zinc/69/83/81/721698381.db2.gz LENLUSOJERLXIY-FQEVSTJZSA-N 0 1 399.445 3.095 20 30 GGEDMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc(C#N)c(C)n2)CC1 ZINC001165022033 721842704 /nfs/dbraw/zinc/84/27/04/721842704.db2.gz NGICJDQAYYTLIR-UHFFFAOYSA-N 0 1 380.492 3.380 20 30 GGEDMN N#CCc1ccc(OCc2ccc(N3CCN(C[C@@H]4CCCO4)CC3)nc2)cc1 ZINC001165042400 721919367 /nfs/dbraw/zinc/91/93/67/721919367.db2.gz CZWHXJDTFKGEED-QFIPXVFZSA-N 0 1 392.503 3.028 20 30 GGEDMN Cc1ccc(CN2CCOC3(CCN(c4nccc(C#N)c4F)CC3)C2)cc1 ZINC001164941023 721925880 /nfs/dbraw/zinc/92/58/80/721925880.db2.gz YYMZQAAHIMOBNZ-UHFFFAOYSA-N 0 1 380.467 3.272 20 30 GGEDMN N#Cc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(Cl)c1 ZINC001164960459 722052948 /nfs/dbraw/zinc/05/29/48/722052948.db2.gz OJYYTIURURRKAN-UHFFFAOYSA-N 0 1 397.910 3.121 20 30 GGEDMN N#Cc1c[nH]c2nc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)ncc12 ZINC001164995955 722206015 /nfs/dbraw/zinc/20/60/15/722206015.db2.gz QLBXNCPGOPTXDG-NRFANRHFSA-N 0 1 376.439 3.214 20 30 GGEDMN CC(C)(C)c1nc(-c2nn[nH]n2)c(N=NCc2cnc(-c3ccccn3)s2)o1 ZINC000819965840 945320571 /nfs/dbraw/zinc/32/05/71/945320571.db2.gz OXWQJBIEIFMFMS-UHFFFAOYSA-N 0 1 395.452 3.117 20 30 GGEDMN C=CCN(CCc1ccco1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000823909645 946515786 /nfs/dbraw/zinc/51/57/86/946515786.db2.gz MEXZKUGWYJITGB-UHFFFAOYSA-N 0 1 375.379 3.292 20 30 GGEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CCC(O)(c3cccc(F)c3)CC2)o1 ZINC000824352801 946666591 /nfs/dbraw/zinc/66/65/91/946666591.db2.gz OJEHWDHVOXCEAF-UHFFFAOYSA-N 0 1 399.430 3.347 20 30 GGEDMN C=CCN(CC1CCCCC1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC001573340960 947523644 /nfs/dbraw/zinc/52/36/44/947523644.db2.gz FMWDZQWSOJZTPV-MRXNPFEDSA-N 0 1 386.525 3.102 20 30 GGEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001602786590 971536218 /nfs/dbraw/zinc/53/62/18/971536218.db2.gz ZSCKTNQRSIXLKX-QLFBSQMISA-N 0 1 375.494 3.062 20 30 GGEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001602786590 971536226 /nfs/dbraw/zinc/53/62/26/971536226.db2.gz ZSCKTNQRSIXLKX-QLFBSQMISA-N 0 1 375.494 3.062 20 30 GGEDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC001589605211 949242426 /nfs/dbraw/zinc/24/24/26/949242426.db2.gz NCXVDKHJAUANMA-LJQANCHMSA-N 0 1 375.494 3.014 20 30 GGEDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001589303771 953716855 /nfs/dbraw/zinc/71/68/55/953716855.db2.gz CYBFVHOYHWMXSR-CHWSQXEVSA-N 0 1 375.494 3.012 20 30 GGEDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001589303771 953716862 /nfs/dbraw/zinc/71/68/62/953716862.db2.gz CYBFVHOYHWMXSR-CHWSQXEVSA-N 0 1 375.494 3.012 20 30 GGEDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001589303774 953718723 /nfs/dbraw/zinc/71/87/23/953718723.db2.gz CYBFVHOYHWMXSR-STQMWFEESA-N 0 1 375.494 3.012 20 30 GGEDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001589303774 953718731 /nfs/dbraw/zinc/71/87/31/953718731.db2.gz CYBFVHOYHWMXSR-STQMWFEESA-N 0 1 375.494 3.012 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001589353736 954109601 /nfs/dbraw/zinc/10/96/01/954109601.db2.gz XFZBYSWEIYWLBG-IOASZLSFSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001589353736 954109611 /nfs/dbraw/zinc/10/96/11/954109611.db2.gz XFZBYSWEIYWLBG-IOASZLSFSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@@H](C)C[C@H](C(=O)[O-])C3)sc2C1 ZINC001589364461 954178738 /nfs/dbraw/zinc/17/87/38/954178738.db2.gz UMOGPJASGVHHIX-RDBSUJKOSA-N 0 1 389.521 3.116 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC001603118601 972198361 /nfs/dbraw/zinc/19/83/61/972198361.db2.gz HBHHXAHTGSUKPQ-AWEZNQCLSA-N 0 1 375.494 3.206 20 30 GGEDMN Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)ccc1Cl ZINC001594311976 958039569 /nfs/dbraw/zinc/03/95/69/958039569.db2.gz SDAZHWWZVTZREL-INIZCTEOSA-N 0 1 391.899 3.472 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(C)(C(=O)[O-])CC2)c1C#N ZINC001594252605 959622011 /nfs/dbraw/zinc/62/20/11/959622011.db2.gz CPBGRQKBKITNRK-UHFFFAOYSA-N 0 1 386.496 3.217 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1C#N ZINC001594252540 959622160 /nfs/dbraw/zinc/62/21/60/959622160.db2.gz AMMLNJGRKCAODF-CJNGLKHVSA-N 0 1 386.496 3.073 20 30 GGEDMN N#Cc1c(NC(=O)C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)sc2c1CCCCC2 ZINC001574479149 961649087 /nfs/dbraw/zinc/64/90/87/961649087.db2.gz FDZGMHGTVMVZTI-AWEZNQCLSA-N 0 1 389.521 3.404 20 30 GGEDMN N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)sc2c1CCCCC2 ZINC001574479149 961649095 /nfs/dbraw/zinc/64/90/95/961649095.db2.gz FDZGMHGTVMVZTI-AWEZNQCLSA-N 0 1 389.521 3.404 20 30 GGEDMN C#CC[N@H+](Cc1cc(C(=O)[O-])oc1CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001573310785 962691247 /nfs/dbraw/zinc/69/12/47/962691247.db2.gz CRLPZDYVZOTGGP-UHFFFAOYSA-N 0 1 390.480 3.375 20 30 GGEDMN C=C(CCC(=O)[O-])C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001573325467 962796290 /nfs/dbraw/zinc/79/62/90/962796290.db2.gz JUULUSXCVIOUHN-KRWDZBQOSA-N 0 1 398.425 3.320 20 30 GGEDMN Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC001605284572 973082224 /nfs/dbraw/zinc/08/22/24/973082224.db2.gz JDSFZGWMMSPEAJ-UWJYYQICSA-N 0 1 391.471 3.314 20 30 GGEDMN Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC001605284572 973082239 /nfs/dbraw/zinc/08/22/39/973082239.db2.gz JDSFZGWMMSPEAJ-UWJYYQICSA-N 0 1 391.471 3.314 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001603462419 973315758 /nfs/dbraw/zinc/31/57/58/973315758.db2.gz YOCRBKFVEFSDLH-MCIONIFRSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001603462419 973315767 /nfs/dbraw/zinc/31/57/67/973315767.db2.gz YOCRBKFVEFSDLH-MCIONIFRSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001603462418 973317720 /nfs/dbraw/zinc/31/77/20/973317720.db2.gz YOCRBKFVEFSDLH-HZSPNIEDSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001603462418 973317734 /nfs/dbraw/zinc/31/77/34/973317734.db2.gz YOCRBKFVEFSDLH-HZSPNIEDSA-N 0 1 389.521 3.258 20 30 GGEDMN COc1cc(C[N@H+](CC(=O)[O-])CC2CC2)ccc1OCc1cccc(C#N)c1 ZINC001604702587 973903313 /nfs/dbraw/zinc/90/33/13/973903313.db2.gz HWGAYLYQCPRRGQ-UHFFFAOYSA-N 0 1 380.444 3.442 20 30 GGEDMN C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000583940005 974948123 /nfs/dbraw/zinc/94/81/23/974948123.db2.gz MPCFGUWMWVURAD-MRXNPFEDSA-N 0 1 382.460 3.086 20 30 GGEDMN C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000583940005 974948126 /nfs/dbraw/zinc/94/81/26/974948126.db2.gz MPCFGUWMWVURAD-MRXNPFEDSA-N 0 1 382.460 3.086 20 30 GGEDMN CC(C)[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001591910549 976322667 /nfs/dbraw/zinc/32/26/67/976322667.db2.gz IGJXIGZELMMJGN-QZTJIDSGSA-N 0 1 387.480 3.261 20 30 GGEDMN CC[C@@H]1[C@@H](C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC[N@H+]1C ZINC000909108251 981418224 /nfs/dbraw/zinc/41/82/24/981418224.db2.gz SQHCTIKQBYZZLR-LEWJYISDSA-N 0 1 376.456 3.453 20 30 GGEDMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC1CC1 ZINC001594778626 981779296 /nfs/dbraw/zinc/77/92/96/981779296.db2.gz XIEGEGIFEFJLCK-ZHRRBRCNSA-N 0 1 392.459 3.189 20 30 GGEDMN C#CC[N@H+](CC1(CC(=O)[O-])CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC001588467950 983499390 /nfs/dbraw/zinc/49/93/90/983499390.db2.gz IOJYWOIXKSTRDA-HNNXBMFYSA-N 0 1 378.266 3.463 20 30 GGEDMN C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001588517567 983565709 /nfs/dbraw/zinc/56/57/09/983565709.db2.gz VPNWIOPFFPTMGX-OAHLLOKOSA-N 0 1 383.473 3.031 20 30 GGEDMN C=CC[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588731672 984010030 /nfs/dbraw/zinc/01/00/30/984010030.db2.gz MMYOIIQHWWWLIZ-UAGQMJEPSA-N 0 1 378.444 3.148 20 30 GGEDMN C=CC[C@@H](Sc1nnc([C@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588763596 984119363 /nfs/dbraw/zinc/11/93/63/984119363.db2.gz UNBOYNRNVNDTPF-JKSUJKDBSA-N 0 1 390.509 3.410 20 30 GGEDMN C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588832926 984327652 /nfs/dbraw/zinc/32/76/52/984327652.db2.gz YGNQAGQCKVMSOA-QGZVFWFLSA-N 0 1 386.473 3.248 20 30 GGEDMN C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588832926 984327656 /nfs/dbraw/zinc/32/76/56/984327656.db2.gz YGNQAGQCKVMSOA-QGZVFWFLSA-N 0 1 386.473 3.248 20 30 GGEDMN C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001588882352 984462657 /nfs/dbraw/zinc/46/26/57/984462657.db2.gz OLOWKIUKWXTWRJ-HXUWFJFHSA-N 0 1 379.428 3.240 20 30 GGEDMN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589431100 986724849 /nfs/dbraw/zinc/72/48/49/986724849.db2.gz DMQZCCYXLHYFOT-SJCJKPOMSA-N 0 1 383.835 3.223 20 30 GGEDMN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589431100 986724861 /nfs/dbraw/zinc/72/48/61/986724861.db2.gz DMQZCCYXLHYFOT-SJCJKPOMSA-N 0 1 383.835 3.223 20 30 GGEDMN CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)ccc1OC ZINC001594725427 987230902 /nfs/dbraw/zinc/23/09/02/987230902.db2.gz WLUSBOHAYYBZMN-AAEUAGOBSA-N 0 1 375.450 3.382 20 30 GGEDMN CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)ccc1OC ZINC001594725428 987231364 /nfs/dbraw/zinc/23/13/64/987231364.db2.gz WLUSBOHAYYBZMN-DGCLKSJQSA-N 0 1 375.450 3.382 20 30 GGEDMN CCc1oc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1C(=O)[O-] ZINC001597799386 989380631 /nfs/dbraw/zinc/38/06/31/989380631.db2.gz QIMFUPRIYCXTNS-UHFFFAOYSA-N 0 1 390.443 3.282 20 30 GGEDMN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001590138601 989394580 /nfs/dbraw/zinc/39/45/80/989394580.db2.gz GXSSCJFOWRAQDI-RANZSIQMSA-N 0 1 385.464 3.062 20 30 GGEDMN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001590138599 989395047 /nfs/dbraw/zinc/39/50/47/989395047.db2.gz GXSSCJFOWRAQDI-LEUOFYLZSA-N 0 1 385.464 3.062 20 30 GGEDMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC001598446875 991883342 /nfs/dbraw/zinc/88/33/42/991883342.db2.gz MEFQGEQHGTYXEQ-QGZVFWFLSA-N 0 1 386.411 3.054 20 30 GGEDMN Cn1c2ccc(F)cc2c(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1C(=O)[O-] ZINC001598506135 992504614 /nfs/dbraw/zinc/50/46/14/992504614.db2.gz VNQNXGAWWIGXBO-LJQANCHMSA-N 0 1 381.407 3.053 20 30 GGEDMN C[N@@H+](Cc1ccc(C#N)cc1)Cn1ncc2c1ccc(Br)c2C(=O)[O-] ZINC001598509396 992550513 /nfs/dbraw/zinc/55/05/13/992550513.db2.gz WGUPAXRHWYUKHH-UHFFFAOYSA-N 0 1 399.248 3.458 20 30 GGEDMN C[N@H+](Cc1ccc(C#N)cc1)Cn1ncc2c1ccc(Br)c2C(=O)[O-] ZINC001598509396 992550518 /nfs/dbraw/zinc/55/05/18/992550518.db2.gz WGUPAXRHWYUKHH-UHFFFAOYSA-N 0 1 399.248 3.458 20 30 GGEDMN C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(C(=O)[O-])cc1 ZINC001598513917 992597538 /nfs/dbraw/zinc/59/75/38/992597538.db2.gz JRRPIMBBLIPVGN-UHFFFAOYSA-N 0 1 375.432 3.189 20 30 GGEDMN CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001598547024 992957073 /nfs/dbraw/zinc/95/70/73/992957073.db2.gz OLMUSFOXKSDFKA-LZOLKVDOSA-N 0 1 396.409 3.206 20 30 GGEDMN CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001598547024 992957080 /nfs/dbraw/zinc/95/70/80/992957080.db2.gz OLMUSFOXKSDFKA-LZOLKVDOSA-N 0 1 396.409 3.206 20 30 GGEDMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CC[C@@](C#N)(C(C)=O)c2ccccc2)c1 ZINC001599646742 994435630 /nfs/dbraw/zinc/43/56/30/994435630.db2.gz FMHYXICTGAGPSD-RBBKRZOGSA-N 0 1 380.444 3.193 20 30 GGEDMN COc1cc(C=NNc2cc[nH+]cc2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001599399178 997184493 /nfs/dbraw/zinc/18/44/93/997184493.db2.gz DSXGHFOPOBLCHM-UHFFFAOYSA-N 0 1 377.400 3.235 20 30 GGEDMN CO[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@](C)(C(=O)[O-])C1 ZINC001599130715 997936998 /nfs/dbraw/zinc/93/69/98/997936998.db2.gz LISYEYUTUNCOLL-IFMALSPDSA-N 0 1 378.472 3.450 20 30 GGEDMN COc1cc(C#N)ccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC001599348265 998047723 /nfs/dbraw/zinc/04/77/23/998047723.db2.gz VCACYCOJNWFXGI-SFHVURJKSA-N 0 1 396.443 3.158 20 30 GGEDMN COc1cc(C#N)ccc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC001599348265 998047732 /nfs/dbraw/zinc/04/77/32/998047732.db2.gz VCACYCOJNWFXGI-SFHVURJKSA-N 0 1 396.443 3.158 20 30 GGEDMN COc1cc(OC)cc(OCCC[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001599453593 998148804 /nfs/dbraw/zinc/14/88/04/998148804.db2.gz MHFGFOMKEXUNKH-HXUWFJFHSA-N 0 1 384.432 3.102 20 30 GGEDMN C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C(=O)[O-])C1 ZINC001594418852 999563355 /nfs/dbraw/zinc/56/33/55/999563355.db2.gz KVJORTCRPOEOHV-SWLSCSKDSA-N 0 1 375.494 3.012 20 30 GGEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCCC[C@@H]3C(=O)[O-])sc2C1 ZINC001594441437 999627216 /nfs/dbraw/zinc/62/72/16/999627216.db2.gz CIIXSCIPCCNWMS-CZUORRHYSA-N 0 1 389.521 3.402 20 30 GGEDMN CC(C)[N@@H+](CCC(=O)[O-])CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001594441626 999627464 /nfs/dbraw/zinc/62/74/64/999627464.db2.gz GSLPGROEJQJXAR-CYBMUJFWSA-N 0 1 377.510 3.258 20 30 GGEDMN C[C@@H](C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CC1)C(=O)[O-] ZINC001594442179 999628605 /nfs/dbraw/zinc/62/86/05/999628605.db2.gz NQBGUNWDLPFCMQ-OLZOCXBDSA-N 0 1 389.521 3.258 20 30 GGEDMN COc1ccccc1C[C@](C)(CO)NCc1cc(C#N)ccc1Br ZINC001620536917 1126240930 /nfs/dbraw/zinc/24/09/30/1126240930.db2.gz HQCOHSYAWBZGMP-LJQANCHMSA-N 0 1 389.293 3.413 20 30 GGEDMN C[C@@H](C(=O)N1CCc2sccc2C1)N1CCCN(c2ccccc2C#N)CC1 ZINC000052801328 222008514 /nfs/dbraw/zinc/00/85/14/222008514.db2.gz WABOODYLNSTDQR-KRWDZBQOSA-N 0 1 394.544 3.105 20 30 GGEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cccc(NC(=O)c2cccnc2)c1 ZINC000053527056 222011070 /nfs/dbraw/zinc/01/10/70/222011070.db2.gz PCDHGHWVKWFZIL-UHFFFAOYSA-N 0 1 385.387 3.150 20 30 GGEDMN C=CCN(CCc1ccccc1)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000072309734 518774735 /nfs/dbraw/zinc/77/47/35/518774735.db2.gz WNFHDKDOHHBRBA-UHFFFAOYSA-N 0 1 380.492 3.110 20 30 GGEDMN N#Cc1ccc([C@@H](NCC2(c3cccc(Br)c3)CC2)C(N)=O)cc1 ZINC000115600809 564196187 /nfs/dbraw/zinc/19/61/87/564196187.db2.gz YBRZSUJDRLRCSL-QGZVFWFLSA-N 0 1 384.277 3.169 20 30 GGEDMN N#Cc1ccc([C@H](NCC2(c3cccc(Br)c3)CC2)C(N)=O)cc1 ZINC000115600807 564196495 /nfs/dbraw/zinc/19/64/95/564196495.db2.gz YBRZSUJDRLRCSL-KRWDZBQOSA-N 0 1 384.277 3.169 20 30 GGEDMN N#Cc1ccc([C@H](NCCCc2ccc(Br)cc2F)C(N)=O)cc1 ZINC000116394191 564209563 /nfs/dbraw/zinc/20/95/63/564209563.db2.gz QSWXYQHDJSLNDZ-KRWDZBQOSA-N 0 1 390.256 3.209 20 30 GGEDMN N#CCCn1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000117854269 564233184 /nfs/dbraw/zinc/23/31/84/564233184.db2.gz KEXCOQPCOMGEMX-UHFFFAOYSA-N 0 1 385.225 3.202 20 30 GGEDMN C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)N(C)CCC#N ZINC000007628598 564239100 /nfs/dbraw/zinc/23/91/00/564239100.db2.gz XXLJKWZBFSJMLS-SNVBAGLBSA-N 0 1 394.298 3.087 20 30 GGEDMN COc1ccc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)cc1Br ZINC000007879427 564243130 /nfs/dbraw/zinc/24/31/30/564243130.db2.gz RIGAVFXREXVDTC-PXAZEXFGSA-N 0 1 382.302 3.163 20 30 GGEDMN N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000008115332 564246442 /nfs/dbraw/zinc/24/64/42/564246442.db2.gz CUYHCQPNJRUCRL-UHFFFAOYSA-N 0 1 398.220 3.123 20 30 GGEDMN Cc1nc(NC(=O)CC2(N3CCOCC3)CCCC2)sc1SCC#N ZINC000118774658 564246521 /nfs/dbraw/zinc/24/65/21/564246521.db2.gz DBUANLAIILXKIU-UHFFFAOYSA-N 0 1 380.539 3.041 20 30 GGEDMN CN(Cc1ccc(Br)s1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000014200946 564280430 /nfs/dbraw/zinc/28/04/30/564280430.db2.gz QABMXFRYERPWJK-CYBMUJFWSA-N 0 1 381.295 3.254 20 30 GGEDMN O=C(Nc1nncs1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000021216213 564309921 /nfs/dbraw/zinc/30/99/21/564309921.db2.gz WQCVFNIYIXKBOY-UHFFFAOYSA-N 0 1 378.410 3.114 20 30 GGEDMN N#CCSCCCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120996328 564346822 /nfs/dbraw/zinc/34/68/22/564346822.db2.gz AKMINHLSJPBEBZ-QGZVFWFLSA-N 0 1 393.354 3.278 20 30 GGEDMN COCCCCCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120977313 564347243 /nfs/dbraw/zinc/34/72/43/564347243.db2.gz WRBXJOLGYXUWCD-SFHVURJKSA-N 0 1 380.330 3.448 20 30 GGEDMN CN(CCCc1[nH]nc(N)c1C#N)Cc1cc(Br)ccc1Cl ZINC000121442782 564369791 /nfs/dbraw/zinc/36/97/91/564369791.db2.gz KCIYJDHHCMJXPQ-UHFFFAOYSA-N 0 1 382.693 3.344 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCOc3c(Cl)cccc32)c(F)c1 ZINC000124448955 564482979 /nfs/dbraw/zinc/48/29/79/564482979.db2.gz ZYDNRMZMVQGTGU-AWEZNQCLSA-N 0 1 384.791 3.292 20 30 GGEDMN CN(Cc1cc(Br)cs1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000047752780 564525951 /nfs/dbraw/zinc/52/59/51/564525951.db2.gz PVKMYWVPXUBYKD-HNNXBMFYSA-N 0 1 395.322 3.448 20 30 GGEDMN CN(Cc1cc(Br)cs1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000047751732 564526234 /nfs/dbraw/zinc/52/62/34/564526234.db2.gz KEDULOCSFSXMRH-CQSZACIVSA-N 0 1 381.295 3.254 20 30 GGEDMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000125968709 564532992 /nfs/dbraw/zinc/53/29/92/564532992.db2.gz WPNZFBWUSACHOR-UHFFFAOYSA-N 0 1 383.926 3.026 20 30 GGEDMN COc1cc(S(=O)(=O)Nc2ccc(C#N)cc2)c(OC)cc1Br ZINC000128465145 564619036 /nfs/dbraw/zinc/61/90/36/564619036.db2.gz MSFPQSPJRAUZPW-UHFFFAOYSA-N 0 1 397.250 3.139 20 30 GGEDMN C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1 ZINC000055664161 564628704 /nfs/dbraw/zinc/62/87/04/564628704.db2.gz MJHBOSMRJMXBJV-UHFFFAOYSA-N 0 1 395.278 3.166 20 30 GGEDMN N#CC1(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)CCC1 ZINC000134622119 564808770 /nfs/dbraw/zinc/80/87/70/564808770.db2.gz CCSWIEWIWANPDP-UHFFFAOYSA-N 0 1 379.438 3.320 20 30 GGEDMN CCN(C[C@H](C)C#N)C(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000069010058 564831575 /nfs/dbraw/zinc/83/15/75/564831575.db2.gz GFBBDIPROYPOBF-CQSZACIVSA-N 0 1 378.314 3.426 20 30 GGEDMN Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)cc1[N+](=O)[O-] ZINC000135611078 564836640 /nfs/dbraw/zinc/83/66/40/564836640.db2.gz CLLXPJZSGQXBMF-UHFFFAOYSA-N 0 1 396.222 3.338 20 30 GGEDMN Cc1c(NS(=O)(=O)c2cc(Br)cc(C#N)c2)cccc1[N+](=O)[O-] ZINC000135679930 564838518 /nfs/dbraw/zinc/83/85/18/564838518.db2.gz DQBLQDBZSCHGCG-UHFFFAOYSA-N 0 1 396.222 3.338 20 30 GGEDMN Cc1csc(C(C#N)C(=O)c2ccc(Br)cc2-n2cncn2)n1 ZINC000136094449 564844970 /nfs/dbraw/zinc/84/49/70/564844970.db2.gz BUFPUWSWSQKLRV-GFCCVEGCSA-N 0 1 388.250 3.285 20 30 GGEDMN Cc1cc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)ccc1[N+](=O)[O-] ZINC000093930580 564894802 /nfs/dbraw/zinc/89/48/02/564894802.db2.gz PHRJBLRWEHVFOI-UHFFFAOYSA-N 0 1 396.222 3.338 20 30 GGEDMN COCCCOc1ccccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000098052324 564912076 /nfs/dbraw/zinc/91/20/76/564912076.db2.gz LSOHUWVHTOFERK-UHFFFAOYSA-N 0 1 380.853 3.428 20 30 GGEDMN C[C@H](C(=O)N(C)CCC#N)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000152605970 564964824 /nfs/dbraw/zinc/96/48/24/564964824.db2.gz DLFYJSHXXFJYPM-CQSZACIVSA-N 0 1 378.314 3.173 20 30 GGEDMN CN(CC(=O)N[C@@](C)(C#N)C1CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000152608498 564964937 /nfs/dbraw/zinc/96/49/37/564964937.db2.gz PMVKVNXDFAYQPA-SFHVURJKSA-N 0 1 390.325 3.221 20 30 GGEDMN CN(CC(=O)N[C@](C)(C#N)C1CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000152608426 564964950 /nfs/dbraw/zinc/96/49/50/564964950.db2.gz PMVKVNXDFAYQPA-GOSISDBHSA-N 0 1 390.325 3.221 20 30 GGEDMN C[C@@H](C(=O)N(C)CCC#N)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000152605846 564965461 /nfs/dbraw/zinc/96/54/61/564965461.db2.gz DLFYJSHXXFJYPM-AWEZNQCLSA-N 0 1 378.314 3.173 20 30 GGEDMN CC(C)[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)N(C)C ZINC000106408266 564982984 /nfs/dbraw/zinc/98/29/84/564982984.db2.gz BVZNRPSRFVOOEI-CQSZACIVSA-N 0 1 375.523 3.227 20 30 GGEDMN CC(C)[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)N(C)C ZINC000106408263 564982997 /nfs/dbraw/zinc/98/29/97/564982997.db2.gz BVZNRPSRFVOOEI-AWEZNQCLSA-N 0 1 375.523 3.227 20 30 GGEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CCc1ccc(Br)cc1 ZINC000106861636 564990188 /nfs/dbraw/zinc/99/01/88/564990188.db2.gz RFOJNZQTZFFLOJ-KDOFPFPSSA-N 0 1 380.330 3.366 20 30 GGEDMN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2ccc(C#N)cc2)c1 ZINC000153590854 565002468 /nfs/dbraw/zinc/00/24/68/565002468.db2.gz DIPGMQKJBKMLJF-UHFFFAOYSA-N 0 1 380.267 3.188 20 30 GGEDMN CC(C)n1ncc2cc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cnc21 ZINC000108361715 565009631 /nfs/dbraw/zinc/00/96/31/565009631.db2.gz HRSOYJFJTIUTFR-UHFFFAOYSA-N 0 1 375.841 3.338 20 30 GGEDMN N#Cc1cccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000108759286 565016364 /nfs/dbraw/zinc/01/63/64/565016364.db2.gz WXZKAZHWNBFHNR-UHFFFAOYSA-N 0 1 382.195 3.030 20 30 GGEDMN N#Cc1cc(Br)cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000153964619 565019693 /nfs/dbraw/zinc/01/96/93/565019693.db2.gz LDEJTHKLAQIGMJ-UHFFFAOYSA-N 0 1 382.195 3.030 20 30 GGEDMN COc1cc(F)ccc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000153972906 565020494 /nfs/dbraw/zinc/02/04/94/565020494.db2.gz DNYCCABBDFACAJ-UHFFFAOYSA-N 0 1 385.214 3.269 20 30 GGEDMN CC(C)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1nc(C2CC2)no1 ZINC000183641469 565085030 /nfs/dbraw/zinc/08/50/30/565085030.db2.gz HTEJKGSVFHNFAS-CQSZACIVSA-N 0 1 380.857 3.148 20 30 GGEDMN CCOc1ccc(N(CCC#N)C(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000267021557 565101673 /nfs/dbraw/zinc/10/16/73/565101673.db2.gz POINJQKTYGSBBW-UHFFFAOYSA-N 0 1 380.520 3.264 20 30 GGEDMN Cc1ccc(C#N)cc1NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000156837366 565108038 /nfs/dbraw/zinc/10/80/38/565108038.db2.gz CRVFLBJWXJXHJD-UHFFFAOYSA-N 0 1 394.294 3.496 20 30 GGEDMN CC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1nc(C2CC2)no1 ZINC000157150765 565121659 /nfs/dbraw/zinc/12/16/59/565121659.db2.gz KEQUZNIEKAQSTK-CQSZACIVSA-N 0 1 380.857 3.148 20 30 GGEDMN N#Cc1ccc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)cc1 ZINC000184461332 565135697 /nfs/dbraw/zinc/13/56/97/565135697.db2.gz YOMSUIBRQIIPKU-UHFFFAOYSA-N 0 1 379.235 3.056 20 30 GGEDMN N#Cc1cc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)ccc1F ZINC000184491722 565139527 /nfs/dbraw/zinc/13/95/27/565139527.db2.gz RDORIRALNWEYDD-UHFFFAOYSA-N 0 1 397.225 3.196 20 30 GGEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000184511761 565140558 /nfs/dbraw/zinc/14/05/58/565140558.db2.gz VKGHKFNPLLXQID-UHFFFAOYSA-N 0 1 393.262 3.365 20 30 GGEDMN Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2cc(C#N)ccc2Br)cn1 ZINC000372810722 565255874 /nfs/dbraw/zinc/25/58/74/565255874.db2.gz WCFBNTFNOOIMST-AEFFLSMTSA-N 0 1 389.297 3.142 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1Cl ZINC000161026885 565269057 /nfs/dbraw/zinc/26/90/57/565269057.db2.gz PUCXIVFUIHVKKL-CYBMUJFWSA-N 0 1 378.837 3.180 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)cc1Cl ZINC000161026999 565269342 /nfs/dbraw/zinc/26/93/42/565269342.db2.gz PUCXIVFUIHVKKL-ZDUSSCGKSA-N 0 1 378.837 3.180 20 30 GGEDMN CC(C)(C[C@@H]1CCCN(Cc2cc(C#N)ccc2Br)C1)C(N)=O ZINC000295594713 565275756 /nfs/dbraw/zinc/27/57/56/565275756.db2.gz MROJWTWWTRGBEI-AWEZNQCLSA-N 0 1 378.314 3.434 20 30 GGEDMN N#Cc1cc(Br)ccc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000295823479 565288502 /nfs/dbraw/zinc/28/85/02/565288502.db2.gz MAMXFBHYXQKJCS-UHFFFAOYSA-N 0 1 399.292 3.110 20 30 GGEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 ZINC000186934119 565296643 /nfs/dbraw/zinc/29/66/43/565296643.db2.gz YLYONOYEIRANNI-UHFFFAOYSA-N 0 1 375.837 3.361 20 30 GGEDMN C=CCS(=O)(=O)CCN[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000272850245 565299852 /nfs/dbraw/zinc/29/98/52/565299852.db2.gz KYJGYLMBELPTLJ-CYBMUJFWSA-N 0 1 380.535 3.379 20 30 GGEDMN C#CCN1CCC(C(=O)N(Cc2csc(Br)c2)C2CC2)CC1 ZINC000161994912 565300434 /nfs/dbraw/zinc/30/04/34/565300434.db2.gz XPMPLRRXHHEUFY-UHFFFAOYSA-N 0 1 381.339 3.347 20 30 GGEDMN Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)ccc1C(=O)N(C)C ZINC000186998105 565301458 /nfs/dbraw/zinc/30/14/58/565301458.db2.gz BBXANEGYPJWCLZ-UHFFFAOYSA-N 0 1 377.853 3.023 20 30 GGEDMN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000373824722 565304992 /nfs/dbraw/zinc/30/49/92/565304992.db2.gz RLPUTCDUKGXNLY-CQSZACIVSA-N 0 1 375.519 3.124 20 30 GGEDMN CC(C)c1nnc2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cn21 ZINC000187781102 565354987 /nfs/dbraw/zinc/35/49/87/565354987.db2.gz JCVKRXATXLBMHA-UHFFFAOYSA-N 0 1 375.841 3.179 20 30 GGEDMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000188905213 565432251 /nfs/dbraw/zinc/43/22/51/565432251.db2.gz OHHQLDNEFFFTCE-LBPRGKRZSA-N 0 1 380.853 3.426 20 30 GGEDMN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(Br)cc1C#N ZINC000376506501 565439983 /nfs/dbraw/zinc/43/99/83/565439983.db2.gz KZFWQPZTSSXPBL-CQSZACIVSA-N 0 1 378.314 3.006 20 30 GGEDMN C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(Br)cc1C#N ZINC000376506500 565440311 /nfs/dbraw/zinc/44/03/11/565440311.db2.gz KZFWQPZTSSXPBL-AWEZNQCLSA-N 0 1 378.314 3.006 20 30 GGEDMN COc1cc(NC(=O)c2ccc(C#N)c(O)c2)cc(OC)c1Br ZINC000189138549 565446101 /nfs/dbraw/zinc/44/61/01/565446101.db2.gz FXEPWJUTBJLKFO-UHFFFAOYSA-N 0 1 377.194 3.296 20 30 GGEDMN C[C@H](/N=C/c1cc(Br)cc(Br)c1O)c1ncnn1C ZINC000276384304 565446859 /nfs/dbraw/zinc/44/68/59/565446859.db2.gz DYOXITLLZUOSGI-JGSFKELHSA-N 0 1 388.063 3.226 20 30 GGEDMN C[C@@H](/N=C/c1cc(Br)cc(Br)c1O)c1ncnn1C ZINC000276384308 565447319 /nfs/dbraw/zinc/44/73/19/565447319.db2.gz DYOXITLLZUOSGI-PCCAMLSSSA-N 0 1 388.063 3.226 20 30 GGEDMN C#CCN(C(=O)CCc1cnc[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000376670050 565447963 /nfs/dbraw/zinc/44/79/63/565447963.db2.gz FWCDDBWKOZUHQI-MRXNPFEDSA-N 0 1 388.265 3.090 20 30 GGEDMN N#Cc1ccc(CN2CCCN(Cc3ccc(Br)cn3)CC2)cc1 ZINC000171959387 565458539 /nfs/dbraw/zinc/45/85/39/565458539.db2.gz VRHSDBMLEYIHBJ-UHFFFAOYSA-N 0 1 385.309 3.424 20 30 GGEDMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000276907380 565466342 /nfs/dbraw/zinc/46/63/42/565466342.db2.gz MRBFQGAWWHPGMZ-WMZOPIPTSA-N 0 1 389.297 3.291 20 30 GGEDMN Cc1cc(I)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000189761310 565487138 /nfs/dbraw/zinc/48/71/38/565487138.db2.gz QSVQMCLWCNPQOL-UHFFFAOYSA-N 0 1 378.169 3.429 20 30 GGEDMN C#CCN1CCC(c2nc(-c3cc(Br)c(C)nc3OC)no2)CC1 ZINC000278117581 565541105 /nfs/dbraw/zinc/54/11/05/565541105.db2.gz QDMDAUFRLMHVFI-UHFFFAOYSA-N 0 1 391.269 3.024 20 30 GGEDMN CN1CCN(c2ccc(Br)cc2NC(=O)CC(C)(C)C#N)CC1 ZINC000278383365 565555334 /nfs/dbraw/zinc/55/53/34/565555334.db2.gz HWVAHFGNUJACLA-UHFFFAOYSA-N 0 1 379.302 3.079 20 30 GGEDMN C[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)N(C)Cc1ccccc1 ZINC000390758679 565557869 /nfs/dbraw/zinc/55/78/69/565557869.db2.gz KHXWOVRTZRGEAN-AWEZNQCLSA-N 0 1 377.897 3.010 20 30 GGEDMN CC(C)[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)s1 ZINC000398173017 565576392 /nfs/dbraw/zinc/57/63/92/565576392.db2.gz PIBBOQBMMUCOQN-KRWDZBQOSA-N 0 1 377.535 3.055 20 30 GGEDMN CC(C)[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)s1 ZINC000398173021 565577099 /nfs/dbraw/zinc/57/70/99/565577099.db2.gz PIBBOQBMMUCOQN-QGZVFWFLSA-N 0 1 377.535 3.055 20 30 GGEDMN C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000311000514 565579141 /nfs/dbraw/zinc/57/91/41/565579141.db2.gz JMRRMYJTYBOEER-CQSZACIVSA-N 0 1 377.897 3.010 20 30 GGEDMN CN(Cc1cc(Br)cs1)C[C@H](O)COc1ccccc1C#N ZINC000314721949 565587901 /nfs/dbraw/zinc/58/79/01/565587901.db2.gz UUNJCVUPEMHJNX-AWEZNQCLSA-N 0 1 381.295 3.254 20 30 GGEDMN C=CCC[C@H](O)CN(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191348418 565598017 /nfs/dbraw/zinc/59/80/17/565598017.db2.gz AHRQABYMZGVSCK-HNNXBMFYSA-N 0 1 386.330 3.358 20 30 GGEDMN N#CCCCOc1cccc(NS(=O)(=O)c2cncc(Br)c2)c1 ZINC000321181140 565604652 /nfs/dbraw/zinc/60/46/52/565604652.db2.gz SQVUBRLAUACPRD-UHFFFAOYSA-N 0 1 396.266 3.327 20 30 GGEDMN CC(C)c1nc2n(n1)C[C@@H]([NH+]=C([O-])NCc1ccsc1Br)CC2 ZINC000328724547 565639522 /nfs/dbraw/zinc/63/95/22/565639522.db2.gz YPTBTJJXYJOFHA-NSHDSACASA-N 0 1 398.330 3.244 20 30 GGEDMN CC1=CCN(CCNC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000329117339 565654133 /nfs/dbraw/zinc/65/41/33/565654133.db2.gz ULXUAGQFWQLIAY-UHFFFAOYSA-N 0 1 381.270 3.177 20 30 GGEDMN Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1CCc3c[nH]nc3C1)CC2 ZINC000329257347 565660632 /nfs/dbraw/zinc/66/06/32/565660632.db2.gz DBZLQKMTDSPTGE-OAHLLOKOSA-N 0 1 389.297 3.310 20 30 GGEDMN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000329452713 565667471 /nfs/dbraw/zinc/66/74/71/565667471.db2.gz PBHKBLDDIQGYLG-HUUCEWRRSA-N 0 1 390.285 3.107 20 30 GGEDMN CCc1nc(C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)co1 ZINC000329582898 565671229 /nfs/dbraw/zinc/67/12/29/565671229.db2.gz LOEVYVKVAJITAB-UHFFFAOYSA-N 0 1 393.285 3.388 20 30 GGEDMN 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C=CCNC(=O)NC(=O)[C@H](C)N1CCC(c2ccc(Br)cc2)CC1 ZINC000503384531 567483525 /nfs/dbraw/zinc/48/35/25/567483525.db2.gz OPRQLGCSQJGUPR-ZDUSSCGKSA-N 0 1 394.313 3.029 20 30 GGEDMN C=CCOCCCc1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000551435044 567506206 /nfs/dbraw/zinc/50/62/06/567506206.db2.gz OGPYGYPRICSSAF-UHFFFAOYSA-N 0 1 390.241 3.419 20 30 GGEDMN C[C@@H]1CCC[C@](C#N)(NS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000479152662 567510430 /nfs/dbraw/zinc/51/04/30/567510430.db2.gz GZCSALPTYKPGNE-OTYXRUKQSA-N 0 1 393.253 3.478 20 30 GGEDMN C=CCOc1ccc(Br)cc1NC(=O)CCCCc1cn[nH]n1 ZINC000458039750 567516522 /nfs/dbraw/zinc/51/65/22/567516522.db2.gz QXGZHCOCSUKTRG-UHFFFAOYSA-N 0 1 379.258 3.484 20 30 GGEDMN Cc1c(Br)cncc1CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000594944758 567526637 /nfs/dbraw/zinc/52/66/37/567526637.db2.gz WAZUSPQUOVNUPZ-GOSISDBHSA-N 0 1 399.292 3.309 20 30 GGEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000479488693 567539070 /nfs/dbraw/zinc/53/90/70/567539070.db2.gz 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20 30 GGEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(N(C)C)n1 ZINC000137202221 1417374686 /nfs/dbraw/zinc/37/46/86/1417374686.db2.gz WQBYLJYUIRSAHB-UHFFFAOYSA-N 0 1 384.383 3.147 20 30 GGEDMN CCN(CC)C(=O)Cc1ccc(NS(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC000137251721 1417377104 /nfs/dbraw/zinc/37/71/04/1417377104.db2.gz ZAPPXKXZWPDZSH-UHFFFAOYSA-N 0 1 385.489 3.078 20 30 GGEDMN Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c1C#N ZINC000137283596 1417378768 /nfs/dbraw/zinc/37/87/68/1417378768.db2.gz SLXNPKVWIXIVFK-UHFFFAOYSA-N 0 1 389.864 3.213 20 30 GGEDMN N#Cc1ccc(CSc2nnc(NC(=O)CCCCc3cn[nH]n3)s2)cc1 ZINC000138481867 1417419059 /nfs/dbraw/zinc/41/90/59/1417419059.db2.gz UKQBXIATVYBVHL-UHFFFAOYSA-N 0 1 399.505 3.172 20 30 GGEDMN CCCN1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000139949528 1417482440 /nfs/dbraw/zinc/48/24/40/1417482440.db2.gz IWYPFXSAGZQWMM-UHFFFAOYSA-N 0 1 379.508 3.248 20 30 GGEDMN CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1Cc2ccccc2C1 ZINC000141179058 1417528149 /nfs/dbraw/zinc/52/81/49/1417528149.db2.gz UZSXZHPPUUQDEM-UHFFFAOYSA-N 0 1 386.417 3.272 20 30 GGEDMN COC(=O)Cc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000150781111 1417805733 /nfs/dbraw/zinc/80/57/33/1417805733.db2.gz INZFXADGLYDSSK-UHFFFAOYSA-N 0 1 398.362 3.093 20 30 GGEDMN C=CCCO[C@@H](C)C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000150878113 1417826676 /nfs/dbraw/zinc/82/66/76/1417826676.db2.gz UQHYEVHCQFBTKH-HNNXBMFYSA-N 0 1 399.457 3.055 20 30 GGEDMN C=CCCCCCN(C)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000150888568 1417828590 /nfs/dbraw/zinc/82/85/90/1417828590.db2.gz BXYIBTCBGGSWKI-UHFFFAOYSA-N 0 1 389.565 3.492 20 30 GGEDMN N#CC(C(=O)C=CSCc1ccco1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000150921933 1417835960 /nfs/dbraw/zinc/83/59/60/1417835960.db2.gz ZQGXKDWWMWULBD-HQPKTYMTSA-N 0 1 392.444 3.414 20 30 GGEDMN COc1ccc([C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)N2CCCC2)cc1 ZINC000151029694 1417858577 /nfs/dbraw/zinc/85/85/77/1417858577.db2.gz OFLAWRNJYHURSF-LJQANCHMSA-N 0 1 385.414 3.412 20 30 GGEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000151096634 1417871712 /nfs/dbraw/zinc/87/17/12/1417871712.db2.gz FBKHUMBMFDFIQM-BMLIUANNSA-N 0 1 379.436 3.285 20 30 GGEDMN COc1ccc([C@@H](CNC(=O)CN(CC#N)C2CCCC2)N2CCCCC2)cc1 ZINC000151120519 1417876271 /nfs/dbraw/zinc/87/62/71/1417876271.db2.gz UIPLYWZGEUDOBX-JOCHJYFZSA-N 0 1 398.551 3.107 20 30 GGEDMN N#Cc1ccc([C@@H](Sc2nc(-c3ccc4c(c3)CCC4)n[nH]2)C(N)=O)cc1 ZINC000151196490 1417891815 /nfs/dbraw/zinc/89/18/15/1417891815.db2.gz YZPCRCNSWJBEGW-QGZVFWFLSA-N 0 1 375.457 3.151 20 30 GGEDMN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000151200161 1417892676 /nfs/dbraw/zinc/89/26/76/1417892676.db2.gz BASWRZFLQIDWKX-OAHLLOKOSA-N 0 1 387.480 3.201 20 30 GGEDMN CCN(C(=O)CON=C(N)c1ccc(N(C)C)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000151287099 1417915429 /nfs/dbraw/zinc/91/54/29/1417915429.db2.gz JFWINKMBVYPZDH-HNNXBMFYSA-N 0 1 386.471 3.138 20 30 GGEDMN COc1cccc([C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)N2CCCC2)c1 ZINC000151286658 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Cn1cc([C@@H](NCCC(=O)Nc2cccc(C#N)c2)c2ccc(F)cc2)cn1 ZINC000185447903 1431147743 /nfs/dbraw/zinc/14/77/43/1431147743.db2.gz HWNCYTSMSMCDLK-NRFANRHFSA-N 0 1 377.423 3.139 20 30 GGEDMN C=C(C)[C@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000185475509 1431153512 /nfs/dbraw/zinc/15/35/12/1431153512.db2.gz KNGKOPSPZYDWFG-JXFKEZNVSA-N 0 1 393.478 3.336 20 30 GGEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000185617318 1431185230 /nfs/dbraw/zinc/18/52/30/1431185230.db2.gz NOBUKSLFHSYENQ-UHFFFAOYSA-N 0 1 399.394 3.452 20 30 GGEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000185643678 1431193674 /nfs/dbraw/zinc/19/36/74/1431193674.db2.gz QNYVLUMAOQQKGH-LLVKDONJSA-N 0 1 379.386 3.223 20 30 GGEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)Nc1cccc(C#N)c1 ZINC000185647990 1431195181 /nfs/dbraw/zinc/19/51/81/1431195181.db2.gz QFHIRDRCGPOECA-NSHDSACASA-N 0 1 379.386 3.223 20 30 GGEDMN C#CCOc1ccccc1NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000185761746 1431227288 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/nfs/dbraw/zinc/58/43/79/1431584379.db2.gz HIXGIPWCUHPXIY-UHFFFAOYSA-N 0 1 391.880 3.459 20 30 GGEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000187234802 1431659486 /nfs/dbraw/zinc/65/94/86/1431659486.db2.gz JCIFBAJKRJCZGD-CQSZACIVSA-N 0 1 376.807 3.297 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC1(O)CCCCCC1 ZINC000187343737 1431703360 /nfs/dbraw/zinc/70/33/60/1431703360.db2.gz OJJUMFZQDIWZTC-KRWDZBQOSA-N 0 1 375.488 3.478 20 30 GGEDMN C=CCC[C@H](C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1 ZINC000187376437 1431713401 /nfs/dbraw/zinc/71/34/01/1431713401.db2.gz TYDRBKCICZOZEN-VABKMULXSA-N 0 1 378.516 3.488 20 30 GGEDMN C=C(C)[C@@H](NC[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187779964 1431811599 /nfs/dbraw/zinc/81/15/99/1431811599.db2.gz JTLWNYFFVIVSPY-WOJBJXKFSA-N 0 1 395.471 3.483 20 30 GGEDMN C[C@H]1CCCCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000187925834 1431828109 /nfs/dbraw/zinc/82/81/09/1431828109.db2.gz KREBYGXKEHKJRY-ROUUACIJSA-N 0 1 398.551 3.478 20 30 GGEDMN N#Cc1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)nn2CCO)cc1O ZINC000188064546 1431841606 /nfs/dbraw/zinc/84/16/06/1431841606.db2.gz CMMXSOIHUGGOCC-UHFFFAOYSA-N 0 1 382.807 3.025 20 30 GGEDMN C#CCOc1ccccc1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000188073984 1431842784 /nfs/dbraw/zinc/84/27/84/1431842784.db2.gz DMQXDLHCWDWLEN-QGZVFWFLSA-N 0 1 378.476 3.441 20 30 GGEDMN C=C(C)[C@H](NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000188301612 1431870956 /nfs/dbraw/zinc/87/09/56/1431870956.db2.gz AWUHNUJOBQNSPT-PMACEKPBSA-N 0 1 394.510 3.153 20 30 GGEDMN N#Cc1ccccc1Oc1ccc(NC(=O)NCCN2CCCOCC2)cc1F ZINC000188363920 1431877144 /nfs/dbraw/zinc/87/71/44/1431877144.db2.gz NGECNCXAGGYFLJ-UHFFFAOYSA-N 0 1 398.438 3.333 20 30 GGEDMN N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1[O-] ZINC000188409435 1431881904 /nfs/dbraw/zinc/88/19/04/1431881904.db2.gz ROQVNZDOWVJAES-QGZVFWFLSA-N 0 1 389.377 3.287 20 30 GGEDMN N#Cc1ccc(C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)cc1O ZINC000188604375 1431899443 /nfs/dbraw/zinc/89/94/43/1431899443.db2.gz SEKBOPUGVMNZPT-UHFFFAOYSA-N 0 1 380.795 3.023 20 30 GGEDMN CN(C)[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)c1cccc(F)c1 ZINC000188681710 1431931111 /nfs/dbraw/zinc/93/11/11/1431931111.db2.gz QYBKKJKCDHOQIE-KRWDZBQOSA-N 0 1 385.443 3.328 20 30 GGEDMN C=CCN(CCOC)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000188711280 1431941562 /nfs/dbraw/zinc/94/15/62/1431941562.db2.gz YSYYXEJZIMJKNY-UHFFFAOYSA-N 0 1 379.932 3.396 20 30 GGEDMN CN(C)[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)c1ccc(F)cc1 ZINC000188773554 1431969143 /nfs/dbraw/zinc/96/91/43/1431969143.db2.gz OYGQWDUVWRAEQZ-KRWDZBQOSA-N 0 1 385.443 3.328 20 30 GGEDMN N#Cc1cc(NC(=O)NCCN2CCCOCC2)ccc1Oc1ccccc1 ZINC000188889021 1432003808 /nfs/dbraw/zinc/00/38/08/1432003808.db2.gz CVJYOXVYHXUSHT-UHFFFAOYSA-N 0 1 380.448 3.194 20 30 GGEDMN CN(C)c1cccc(CCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000188918610 1432008400 /nfs/dbraw/zinc/00/84/00/1432008400.db2.gz LGWXUSGYMDERPD-UHFFFAOYSA-N 0 1 390.531 3.291 20 30 GGEDMN N#Cc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[O-] ZINC000188952730 1432015845 /nfs/dbraw/zinc/01/58/45/1432015845.db2.gz MVWIWDMSSRVRIF-IBGZPJMESA-N 0 1 387.443 3.160 20 30 GGEDMN C=CCC[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)nc1)c1ccccc1 ZINC000189120161 1432048553 /nfs/dbraw/zinc/04/85/53/1432048553.db2.gz YDSWBDJQGDGGMR-NRFANRHFSA-N 0 1 378.520 3.200 20 30 GGEDMN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000189167713 1432056613 /nfs/dbraw/zinc/05/66/13/1432056613.db2.gz GEUCPOMQCCPMAX-NRFANRHFSA-N 0 1 375.513 3.004 20 30 GGEDMN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCN2CCCOCC2)c1 ZINC000189442684 1432113080 /nfs/dbraw/zinc/11/30/80/1432113080.db2.gz HIEWHOKLLYYXJD-UHFFFAOYSA-N 0 1 399.878 3.456 20 30 GGEDMN N#Cc1ccccc1Oc1ccc(C(=O)NCCN2CCCOCC2)cc1Cl ZINC000189446353 1432114374 /nfs/dbraw/zinc/11/43/74/1432114374.db2.gz KBKLKMMXPLFFOU-UHFFFAOYSA-N 0 1 399.878 3.456 20 30 GGEDMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000189478085 1432128268 /nfs/dbraw/zinc/12/82/68/1432128268.db2.gz CBNZUKCIRIRYLP-QGZVFWFLSA-N 0 1 393.491 3.108 20 30 GGEDMN CC[C@]1(CO)CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000189683825 1432203014 /nfs/dbraw/zinc/20/30/14/1432203014.db2.gz ZEQSWTIYNHCODJ-HSZRJFAPSA-N 0 1 394.519 3.200 20 30 GGEDMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(CC(C)(C)O)C2CC2)c1C#N ZINC000189991180 1432300900 /nfs/dbraw/zinc/30/09/00/1432300900.db2.gz GOAPLDRNEJKACA-UHFFFAOYSA-N 0 1 394.519 3.199 20 30 GGEDMN N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC000190041440 1432309319 /nfs/dbraw/zinc/30/93/19/1432309319.db2.gz UVIJPORHXXGCLO-QFIPXVFZSA-N 0 1 389.499 3.418 20 30 GGEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000190186727 1432336136 /nfs/dbraw/zinc/33/61/36/1432336136.db2.gz LHVWNECNSXUBCY-HOTGVXAUSA-N 0 1 390.553 3.247 20 30 GGEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000190186707 1432336342 /nfs/dbraw/zinc/33/63/42/1432336342.db2.gz LHVWNECNSXUBCY-JKSUJKDBSA-N 0 1 390.553 3.247 20 30 GGEDMN COc1ccc2c(c1)[C@H](N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCS2 ZINC000190608872 1432419581 /nfs/dbraw/zinc/41/95/81/1432419581.db2.gz FKVIYZOMWJFQCG-WOJBJXKFSA-N 0 1 393.512 3.494 20 30 GGEDMN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000190618958 1432422791 /nfs/dbraw/zinc/42/27/91/1432422791.db2.gz STRKJBPLIMLEJV-FDDCHVKYSA-N 0 1 399.498 3.255 20 30 GGEDMN CCc1nc2c(s1)[C@@H](N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 ZINC000190622225 1432423141 /nfs/dbraw/zinc/42/31/41/1432423141.db2.gz JQRYAEGGVNUPLP-FUHWJXTLSA-N 0 1 380.517 3.345 20 30 GGEDMN CCc1nc2c(s1)[C@H](N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 ZINC000190622244 1432423378 /nfs/dbraw/zinc/42/33/78/1432423378.db2.gz JQRYAEGGVNUPLP-AEFFLSMTSA-N 0 1 380.517 3.345 20 30 GGEDMN COCc1cc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC ZINC000190624198 1432423742 /nfs/dbraw/zinc/42/37/42/1432423742.db2.gz OWHBSFUNTAVREK-IERDGZPVSA-N 0 1 393.487 3.165 20 30 GGEDMN Cc1c([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000190630271 1432426285 /nfs/dbraw/zinc/42/62/85/1432426285.db2.gz AEXLQYXBSSKRCC-DNVCBOLYSA-N 0 1 378.432 3.227 20 30 GGEDMN COc1ccc(OC)c([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190632793 1432426475 /nfs/dbraw/zinc/42/64/75/1432426475.db2.gz ISCOCNDXJZBJSJ-MGPUTAFESA-N 0 1 379.460 3.027 20 30 GGEDMN COc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1 ZINC000190631911 1432426544 /nfs/dbraw/zinc/42/65/44/1432426544.db2.gz MDAHNUCBGZOVFD-MGPUTAFESA-N 0 1 379.460 3.027 20 30 GGEDMN N#Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1O ZINC000190819934 1432494200 /nfs/dbraw/zinc/49/42/00/1432494200.db2.gz MGSLCMBIOZQKJB-UHFFFAOYSA-N 0 1 391.349 3.372 20 30 GGEDMN CC1(C)OCc2cc(CN[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2O1 ZINC000190837959 1432501597 /nfs/dbraw/zinc/50/15/97/1432501597.db2.gz KFTZJWMDQGPPQA-FQEVSTJZSA-N 0 1 391.471 3.094 20 30 GGEDMN Cc1nc(COc2ccccc2C(=O)C(C#N)c2cnc3ccccc3n2)no1 ZINC000190937714 1432533464 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Cn1cc(CN[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1C#N ZINC000191564967 1432684091 /nfs/dbraw/zinc/68/40/91/1432684091.db2.gz XHNOJOVBUMBODJ-SFHVURJKSA-N 0 1 390.409 3.196 20 30 GGEDMN C=CCc1cc(CN[C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc(OC)c1O ZINC000191799691 1432728369 /nfs/dbraw/zinc/72/83/69/1432728369.db2.gz BYHOMJDNAZGZNV-FQEVSTJZSA-N 0 1 380.488 3.328 20 30 GGEDMN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192044007 1432785668 /nfs/dbraw/zinc/78/56/68/1432785668.db2.gz JDWHGOGWUIXFIM-RTBURBONSA-N 0 1 390.892 3.105 20 30 GGEDMN N#CCCN(C(=O)CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000192132498 1432803790 /nfs/dbraw/zinc/80/37/90/1432803790.db2.gz ZKINAWOAPGPZNY-PZJWPPBQSA-N 0 1 385.414 3.331 20 30 GGEDMN CN(C(=O)CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C1(C#N)CCCCC1 ZINC000192139389 1432805332 /nfs/dbraw/zinc/80/53/32/1432805332.db2.gz MNEYMDLCHMNSKL-IEBWSBKVSA-N 0 1 377.435 3.069 20 30 GGEDMN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(C#N)c(F)c1 ZINC000192206052 1432815925 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CC(C)(N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)NCC1CCCCC1 ZINC000192715607 1432879153 /nfs/dbraw/zinc/87/91/53/1432879153.db2.gz WJNXAFHWZSKRKU-HXUWFJFHSA-N 0 1 396.535 3.118 20 30 GGEDMN CCCCNC(=O)C1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000192869159 1432901251 /nfs/dbraw/zinc/90/12/51/1432901251.db2.gz KSVDJBVQALIBGG-LJQANCHMSA-N 0 1 398.551 3.259 20 30 GGEDMN N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc4c(c3)CCO4)CC2)cc1 ZINC000193029017 1432924635 /nfs/dbraw/zinc/92/46/35/1432924635.db2.gz QOGCYSIDBFJFKU-UHFFFAOYSA-N 0 1 376.460 3.233 20 30 GGEDMN COc1ccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)N(C)C)cc1OC ZINC000193103625 1432936726 /nfs/dbraw/zinc/93/67/26/1432936726.db2.gz QTSQQSQMUDLSOO-LJQANCHMSA-N 0 1 396.491 3.020 20 30 GGEDMN N#C[C@@H](C(=O)CNC(=O)c1ccc(F)cc1)c1nc2ccccc2n1C(F)F ZINC000193284263 1432973999 /nfs/dbraw/zinc/97/39/99/1432973999.db2.gz MYCQVGPYLZGNGR-ZDUSSCGKSA-N 0 1 386.333 3.177 20 30 GGEDMN CCCCCNC(=O)C(C#N)C(=O)CSc1nccn1-c1ccccc1C ZINC000193378117 1432987694 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N#Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cn1 ZINC000195443625 1433330135 /nfs/dbraw/zinc/33/01/35/1433330135.db2.gz AGSMYMCHFUOLTA-UHFFFAOYSA-N 0 1 378.413 3.006 20 30 GGEDMN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@H]1CC[C@@H](SC)C1 ZINC000229351059 1433371730 /nfs/dbraw/zinc/37/17/30/1433371730.db2.gz GHYZKCIWDWKHJK-DLBZAZTESA-N 0 1 392.569 3.168 20 30 GGEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)C[C@@H]2CCCC[C@H]2O)c1C#N ZINC000245542863 1433483053 /nfs/dbraw/zinc/48/30/53/1433483053.db2.gz KJGYREBNTPAKOC-FXAWDEMLSA-N 0 1 398.507 3.039 20 30 GGEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C[C@@H]1CCCC[C@H]1O ZINC000245556128 1433484671 /nfs/dbraw/zinc/48/46/71/1433484671.db2.gz UEVLCDIJQXZIIB-SOLBZPMBSA-N 0 1 375.538 3.360 20 30 GGEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C[C@H]1CCCC[C@H]1O ZINC000245556126 1433484747 /nfs/dbraw/zinc/48/47/47/1433484747.db2.gz UEVLCDIJQXZIIB-JFIYKMOQSA-N 0 1 375.538 3.360 20 30 GGEDMN C=C[C@H](CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccccc1 ZINC000245572916 1433486752 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394.494 3.228 20 30 GGEDMN O=C1CC[C@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]2N1C1CC1 ZINC000245928562 1433544650 /nfs/dbraw/zinc/54/46/50/1433544650.db2.gz YARAJPOACPPMPE-LPHOPBHVSA-N 0 1 392.421 3.412 20 30 GGEDMN Cc1cccc(S(=O)(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1C#N ZINC000246224506 1433583853 /nfs/dbraw/zinc/58/38/53/1433583853.db2.gz VRDFDNSQOYMOMX-DNVCBOLYSA-N 0 1 389.546 3.290 20 30 GGEDMN Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000246279055 1433589033 /nfs/dbraw/zinc/58/90/33/1433589033.db2.gz VNNNNRXNJRFINI-QFBILLFUSA-N 0 1 389.546 3.290 20 30 GGEDMN COc1ccc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1C#N ZINC000246350458 1433598948 /nfs/dbraw/zinc/59/89/48/1433598948.db2.gz FIUMZBAMWFHVTE-SFTDATJTSA-N 0 1 385.895 3.382 20 30 GGEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@@H]2C[C@H](C)O)c1C#N ZINC000246687120 1433650120 /nfs/dbraw/zinc/65/01/20/1433650120.db2.gz MDSYUUTUZOUNTI-HNAYVOBHSA-N 0 1 380.492 3.140 20 30 GGEDMN N#Cc1ccc(N2CC[C@H](N3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)C2=O)cc1 ZINC000246814100 1433672278 /nfs/dbraw/zinc/67/22/78/1433672278.db2.gz NKDJKMXRFHEIBA-BHIFYINESA-N 0 1 393.462 3.391 20 30 GGEDMN CN(C(=O)CN1CCC[C@H]1C[C@@H](O)c1cccs1)C1(C#N)CCCCC1 ZINC000247232568 1433694263 /nfs/dbraw/zinc/69/42/63/1433694263.db2.gz SFCUDNLGZJEZJM-DLBZAZTESA-N 0 1 375.538 3.321 20 30 GGEDMN N#Cc1ccc(CN2CCCN(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC000247640574 1433742006 /nfs/dbraw/zinc/74/20/06/1433742006.db2.gz HARSLMQLZUSBAO-GOTSBHOMSA-N 0 1 394.563 3.247 20 30 GGEDMN Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000247783142 1433751274 /nfs/dbraw/zinc/75/12/74/1433751274.db2.gz XXPDNZYSDSBXDO-CTNGQTDRSA-N 0 1 379.508 3.330 20 30 GGEDMN C[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H]1C ZINC000248333591 1433786875 /nfs/dbraw/zinc/78/68/75/1433786875.db2.gz FUOUHHZYVNDXNX-IKGGRYGDSA-N 0 1 384.524 3.086 20 30 GGEDMN C[C@@H](NC(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000248376435 1433789709 /nfs/dbraw/zinc/78/97/09/1433789709.db2.gz CNXVGMXBCNDQOQ-QGZVFWFLSA-N 0 1 382.533 3.005 20 30 GGEDMN COC(=O)[C@H](C)[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000248757185 1433820474 /nfs/dbraw/zinc/82/04/74/1433820474.db2.gz PTJZKVADJYWYIK-TYCQWZJGSA-N 0 1 391.471 3.194 20 30 GGEDMN C=CCc1ccc(OC[C@H](O)CN2CC[C@@]3(C2)OCc2ccccc23)c(OC)c1 ZINC000248781258 1433822175 /nfs/dbraw/zinc/82/21/75/1433822175.db2.gz WUEWYFDZXRSFFU-YKSBVNFPSA-N 0 1 395.499 3.295 20 30 GGEDMN C[C@@H]1CN(c2ccc(C(=O)C(C#N)c3cnc4ccccc4n3)cn2)C[C@H](C)O1 ZINC000248893454 1433828173 /nfs/dbraw/zinc/82/81/73/1433828173.db2.gz SNTWKQYZTNCLKC-HLLBOEOZSA-N 0 1 387.443 3.128 20 30 GGEDMN C[C@@H]1CN(c2ccc(C(=O)[C@H](C#N)c3cnc4ccccc4n3)cn2)C[C@H](C)O1 ZINC000248893454 1433828174 /nfs/dbraw/zinc/82/81/74/1433828174.db2.gz SNTWKQYZTNCLKC-HLLBOEOZSA-N 0 1 387.443 3.128 20 30 GGEDMN N#Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[O-] ZINC000249038409 1433832955 /nfs/dbraw/zinc/83/29/55/1433832955.db2.gz COOVIRNYQCCLCQ-LEWJYISDSA-N 0 1 375.472 3.391 20 30 GGEDMN N#Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[O-] ZINC000249038409 1433832956 /nfs/dbraw/zinc/83/29/56/1433832956.db2.gz COOVIRNYQCCLCQ-LEWJYISDSA-N 0 1 375.472 3.391 20 30 GGEDMN C=C(C)[C@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000249074342 1433833984 /nfs/dbraw/zinc/83/39/84/1433833984.db2.gz MRZGAZJFEKUCHW-KSSFIOAISA-N 0 1 381.467 3.069 20 30 GGEDMN N#Cc1ccc(N2CC[C@H](N3CCC[C@H](C(=O)Nc4ccccc4)C3)C2=O)cc1 ZINC000249102328 1433835400 /nfs/dbraw/zinc/83/54/00/1433835400.db2.gz FKOZJFAMTHFYQT-RXVVDRJESA-N 0 1 388.471 3.014 20 30 GGEDMN CC[C@@H]1[C@@H](C)CCN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000249417759 1433843303 /nfs/dbraw/zinc/84/33/03/1433843303.db2.gz GTNYBDUTEZMANO-SQGPQFPESA-N 0 1 398.551 3.476 20 30 GGEDMN CCCNC(=O)[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000250525690 1433856556 /nfs/dbraw/zinc/85/65/56/1433856556.db2.gz QIFRACGXHGXAKT-WOJBJXKFSA-N 0 1 398.551 3.177 20 30 GGEDMN C=CCN(CCOC)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000250978372 1433857582 /nfs/dbraw/zinc/85/75/82/1433857582.db2.gz VMPZOJUSBAVJBT-MAUKXSAKSA-N 0 1 383.895 3.316 20 30 GGEDMN Cc1ccc(NC(=O)CON=Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000251168898 1433857889 /nfs/dbraw/zinc/85/78/89/1433857889.db2.gz WRBALVUSIZYVDF-UHFFFAOYSA-N 0 1 387.867 3.474 20 30 GGEDMN C=C(C)[C@H](NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000251682773 1433859668 /nfs/dbraw/zinc/85/96/68/1433859668.db2.gz NSELEZCBKVULTO-YWZLYKJASA-N 0 1 393.478 3.477 20 30 GGEDMN CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000253359844 1433866179 /nfs/dbraw/zinc/86/61/79/1433866179.db2.gz NMGIOLKZCHVDOR-XUVXKRRUSA-N 0 1 398.551 3.339 20 30 GGEDMN CCN(Cc1ccccc1)c1ccc(C=Nn2c(=O)c(C)n[nH]c2=S)cc1 ZINC000254488797 1433871254 /nfs/dbraw/zinc/87/12/54/1433871254.db2.gz JAVVGHRTJPCKIN-UHFFFAOYSA-N 0 1 379.489 3.144 20 30 GGEDMN CON=Cc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000254943837 1433872797 /nfs/dbraw/zinc/87/27/97/1433872797.db2.gz WOMKCYCOVOERNW-OAQYLSRUSA-N 0 1 381.476 3.242 20 30 GGEDMN CC(C)CCC[C@@H](C)NC(=O)CON=Cc1ccc(N2CCOCC2)cc1 ZINC000255049712 1433875025 /nfs/dbraw/zinc/87/50/25/1433875025.db2.gz NXGBZBAEWGIKSJ-GOSISDBHSA-N 0 1 375.513 3.205 20 30 GGEDMN CCN(Cc1cccc(F)c1)C(=O)CON=Cc1ccc(N2CCOCC2)cc1 ZINC000255051569 1433875062 /nfs/dbraw/zinc/87/50/62/1433875062.db2.gz WMBMDNWWZCMALH-UHFFFAOYSA-N 0 1 399.466 3.062 20 30 GGEDMN C[C@@H](NC(=O)[C@@H](C)ON=Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000255061290 1433875292 /nfs/dbraw/zinc/87/52/92/1433875292.db2.gz QCFMSHUVHOXKDF-IAGOWNOFSA-N 0 1 399.466 3.279 20 30 GGEDMN C[C@@H](ON=Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000255061289 1433875305 /nfs/dbraw/zinc/87/53/05/1433875305.db2.gz QCFMSHUVHOXKDF-DLBZAZTESA-N 0 1 399.466 3.279 20 30 GGEDMN O=C(/C=C\C1=Cc2ccccc2OC1)c1ccc(O)c(CN2CCOCC2)c1 ZINC000255105314 1433876299 /nfs/dbraw/zinc/87/62/99/1433876299.db2.gz WFYSPSOKGMPZGO-ALCCZGGFSA-N 0 1 377.440 3.439 20 30 GGEDMN COc1cc(/C=C\C(=O)c2cnn(-c3ccccn3)c2C)cc([N+](=O)[O-])c1O ZINC000255166318 1433877772 /nfs/dbraw/zinc/87/77/72/1433877772.db2.gz WIMVXWPQPZHETK-SREVYHEPSA-N 0 1 380.360 3.094 20 30 GGEDMN CCN1CCN(c2ccc(CNC(=O)/C=C\c3ccccc3C#N)cc2F)CC1 ZINC000255168210 1433877889 /nfs/dbraw/zinc/87/78/89/1433877889.db2.gz ZUALNKOGOXBKBY-NTMALXAHSA-N 0 1 392.478 3.169 20 30 GGEDMN C[C@H](NC(=O)/C=C\c1ccccc1C#N)c1cc(F)ccc1N1CCN(C)CC1 ZINC000255168173 1433877906 /nfs/dbraw/zinc/87/79/06/1433877906.db2.gz WTCUUITUMPRJKK-JEZWAEDTSA-N 0 1 392.478 3.340 20 30 GGEDMN Cc1ccc(NC(=O)[C@H](C)ON=Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000255230022 1433878679 /nfs/dbraw/zinc/87/86/79/1433878679.db2.gz ZIOYWKRSSRGHPH-INIZCTEOSA-N 0 1 385.439 3.348 20 30 GGEDMN COc1ccc(S(N)(=O)=O)cc1N=Cc1cc(Cl)cc(Cl)c1O ZINC000255564370 1433885416 /nfs/dbraw/zinc/88/54/16/1433885416.db2.gz AHFIOURIPPARDC-UHFFFAOYSA-N 0 1 375.233 3.106 20 30 GGEDMN CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255573592 1433885731 /nfs/dbraw/zinc/88/57/31/1433885731.db2.gz VFGWOKPEJZYGNO-KAMYIIQDSA-N 0 1 387.480 3.062 20 30 GGEDMN O=C(/C=C\c1cnn(-c2ccccc2)c1)c1ccc(O)c(CN2CCOCC2)c1 ZINC000255868167 1433890485 /nfs/dbraw/zinc/89/04/85/1433890485.db2.gz YFGQXYOKIOUITK-VURMDHGXSA-N 0 1 389.455 3.306 20 30 GGEDMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000263513829 1434010681 /nfs/dbraw/zinc/01/06/81/1434010681.db2.gz YXMBTRBSVXMZHV-UHFFFAOYSA-N 0 1 391.471 3.145 20 30 GGEDMN C=C(C)COc1cccc(NC(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c1 ZINC000263515246 1434010733 /nfs/dbraw/zinc/01/07/33/1434010733.db2.gz ZMTWYCAUTAVVSX-UHFFFAOYSA-N 0 1 387.480 3.091 20 30 GGEDMN CC[N@@H+](CC(=O)[O-])C1CCN(c2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000263546798 1434012592 /nfs/dbraw/zinc/01/25/92/1434012592.db2.gz HPRVPBHVUQYYAU-UHFFFAOYSA-N 0 1 391.475 3.043 20 30 GGEDMN N#Cc1cnc2c(F)cc(F)cc2c1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263558142 1434013167 /nfs/dbraw/zinc/01/31/67/1434013167.db2.gz PNKUDPIPCYCLAD-UHFFFAOYSA-N 0 1 386.402 3.124 20 30 GGEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](CNC(=O)CCC)C1 ZINC000263698500 1434022644 /nfs/dbraw/zinc/02/26/44/1434022644.db2.gz IEEWLTDCYUDOLT-ZWKOTPCHSA-N 0 1 391.581 3.280 20 30 GGEDMN C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)N1CCN(C)CC1 ZINC000263751008 1434029153 /nfs/dbraw/zinc/02/91/53/1434029153.db2.gz KBGONYIYFPKHIO-KRWDZBQOSA-N 0 1 394.544 3.075 20 30 GGEDMN Cc1cc2c[nH]nc2c(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000263803117 1434035784 /nfs/dbraw/zinc/03/57/84/1434035784.db2.gz LHRVMBJMHIKRSN-UHFFFAOYSA-N 0 1 387.443 3.234 20 30 GGEDMN C[C@@H](NC(=O)c1cccc(CC#N)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000263835878 1434039762 /nfs/dbraw/zinc/03/97/62/1434039762.db2.gz ZZBMPXXZHJKFAP-MRXNPFEDSA-N 0 1 380.467 3.135 20 30 GGEDMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000264396814 1434107098 /nfs/dbraw/zinc/10/70/98/1434107098.db2.gz YJMKWQCZKQMRPH-QGZVFWFLSA-N 0 1 393.491 3.108 20 30 GGEDMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000264733257 1434149811 /nfs/dbraw/zinc/14/98/11/1434149811.db2.gz ZZQZVTRKRFCKMR-SBHAEUEKSA-N 0 1 399.535 3.208 20 30 GGEDMN COc1cc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)ccc1OCc1ccncc1 ZINC000264908010 1434163856 /nfs/dbraw/zinc/16/38/56/1434163856.db2.gz YBLFDMZFKAQQSA-IRXDYDNUSA-N 0 1 396.491 3.080 20 30 GGEDMN COc1cc([C@H](C)N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc(OC)c1OC ZINC000265231251 1434204045 /nfs/dbraw/zinc/20/40/45/1434204045.db2.gz VAOBCBPDVAGIHE-KSSFIOAISA-N 0 1 395.459 3.040 20 30 GGEDMN COc1ccc(CN(C)C(=O)[C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000266513121 1434345351 /nfs/dbraw/zinc/34/53/51/1434345351.db2.gz YCJJMTQJFICOGP-HOTGVXAUSA-N 0 1 381.476 3.273 20 30 GGEDMN C[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OCC#N)cc1 ZINC000266840203 1434380799 /nfs/dbraw/zinc/38/07/99/1434380799.db2.gz GPFQUVKVMQHVFO-CVEARBPZSA-N 0 1 387.505 3.251 20 30 GGEDMN C[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OCC#N)cc1 ZINC000266840206 1434380858 /nfs/dbraw/zinc/38/08/58/1434380858.db2.gz GPFQUVKVMQHVFO-HOTGVXAUSA-N 0 1 387.505 3.251 20 30 GGEDMN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000267076913 1434405624 /nfs/dbraw/zinc/40/56/24/1434405624.db2.gz ROTPHZGJHKLRNQ-UHFFFAOYSA-N 0 1 388.445 3.084 20 30 GGEDMN C#CCN1CCC(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)CC1 ZINC000267115413 1434408391 /nfs/dbraw/zinc/40/83/91/1434408391.db2.gz SEKHIFOEPRINOT-UHFFFAOYSA-N 0 1 375.375 3.227 20 30 GGEDMN C[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(-n2cccn2)cc1 ZINC000267725573 1434458702 /nfs/dbraw/zinc/45/87/02/1434458702.db2.gz VSRNNFJRWJBHQB-KDOFPFPSSA-N 0 1 377.473 3.262 20 30 GGEDMN N#Cc1ccc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c(Cl)c1 ZINC000269083983 1434589956 /nfs/dbraw/zinc/58/99/56/1434589956.db2.gz IPAGWLBRXSGBKR-IBGZPJMESA-N 0 1 396.878 3.103 20 30 GGEDMN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(C#N)cc3F)cc2)C[C@H](C)O1 ZINC000269459865 1434648943 /nfs/dbraw/zinc/64/89/43/1434648943.db2.gz XSALEONBLJMJMP-IYBDPMFKSA-N 0 1 381.451 3.237 20 30 GGEDMN C#CCOc1ccccc1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000269602494 1434662631 /nfs/dbraw/zinc/66/26/31/1434662631.db2.gz IYDUIKRYJTYWAX-GOSISDBHSA-N 0 1 392.503 3.118 20 30 GGEDMN CC(C)c1nc([C@H](C)NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000270611146 1434750389 /nfs/dbraw/zinc/75/03/89/1434750389.db2.gz DUVQXDNFKYSDEY-LBPRGKRZSA-N 0 1 379.386 3.359 20 30 GGEDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(COc3ccccc3C#N)o2)n[nH]1 ZINC000270771267 1434772931 /nfs/dbraw/zinc/77/29/31/1434772931.db2.gz QTFZIGDIUSMCKR-ZDUSSCGKSA-N 0 1 379.420 3.463 20 30 GGEDMN CCOC(=O)c1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000271205788 1434808008 /nfs/dbraw/zinc/80/80/08/1434808008.db2.gz YELYOYRARXBCDB-UHFFFAOYSA-N 0 1 381.432 3.179 20 30 GGEDMN C#CC[C@H](N[C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000271426653 1434823665 /nfs/dbraw/zinc/82/36/65/1434823665.db2.gz COUNNFXFSVUPGA-GCJKJVERSA-N 0 1 398.528 3.123 20 30 GGEDMN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271536581 1434832815 /nfs/dbraw/zinc/83/28/15/1434832815.db2.gz XOTLBEJKYOCOMM-ZDUSSCGKSA-N 0 1 380.416 3.436 20 30 GGEDMN C[C@H](NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000271613210 1434839136 /nfs/dbraw/zinc/83/91/36/1434839136.db2.gz BNNGVGJADYMOQF-KRWDZBQOSA-N 0 1 390.487 3.086 20 30 GGEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000271642148 1434841314 /nfs/dbraw/zinc/84/13/14/1434841314.db2.gz CPXSVPSBQYWYTA-ROUUACIJSA-N 0 1 380.492 3.319 20 30 GGEDMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000271644223 1434841370 /nfs/dbraw/zinc/84/13/70/1434841370.db2.gz HUADHZZJTASYQM-MRXNPFEDSA-N 0 1 378.476 3.330 20 30 GGEDMN CN(Cc1ccc(OC(F)F)cc1)C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000271646891 1434841727 /nfs/dbraw/zinc/84/17/27/1434841727.db2.gz AHDWRIOZFSOVOB-UHFFFAOYSA-N 0 1 385.414 3.397 20 30 GGEDMN CSc1ccccc1NC(=O)CN(C)C(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000271679553 1434843562 /nfs/dbraw/zinc/84/35/62/1434843562.db2.gz PGZZMEVWXLXWJU-OAHLLOKOSA-N 0 1 396.516 3.028 20 30 GGEDMN CSc1ccccc1NC(=O)CN(C)C(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000271679550 1434843593 /nfs/dbraw/zinc/84/35/93/1434843593.db2.gz PGZZMEVWXLXWJU-HNNXBMFYSA-N 0 1 396.516 3.028 20 30 GGEDMN C#CC[C@H](NCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)c1ccccc1 ZINC000271678548 1434843630 /nfs/dbraw/zinc/84/36/30/1434843630.db2.gz HVWKOJRDVQXYKP-NRFANRHFSA-N 0 1 377.488 3.461 20 30 GGEDMN C#CC[C@H](NCC(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccccc1 ZINC000271680062 1434843832 /nfs/dbraw/zinc/84/38/32/1434843832.db2.gz IFURFRRPNVESJC-NRFANRHFSA-N 0 1 377.488 3.461 20 30 GGEDMN CCCCOc1ccc([C@@H](C)NCC(=O)N(CCC#N)CCC#N)cc1OC ZINC000271703261 1434845047 /nfs/dbraw/zinc/84/50/47/1434845047.db2.gz UKVOHDXCINXQGS-QGZVFWFLSA-N 0 1 386.496 3.181 20 30 GGEDMN COc1ccc([C@H](CCO)NCC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000271704206 1434845212 /nfs/dbraw/zinc/84/52/12/1434845212.db2.gz TYFQUESAODCILL-QFIPXVFZSA-N 0 1 395.503 3.272 20 30 GGEDMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000271738231 1434847207 /nfs/dbraw/zinc/84/72/07/1434847207.db2.gz BSPUDCUQWZTJSZ-UHFFFAOYSA-N 0 1 393.487 3.203 20 30 GGEDMN N#Cc1cccc(C2(NCC(=O)N(Cc3ccco3)CC(F)(F)F)CC2)c1 ZINC000271831408 1434853484 /nfs/dbraw/zinc/85/34/84/1434853484.db2.gz UJFKLAIDQLHGQT-UHFFFAOYSA-N 0 1 377.366 3.321 20 30 GGEDMN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271926716 1434859735 /nfs/dbraw/zinc/85/97/35/1434859735.db2.gz GUGAAHSYKHGLNJ-OAHLLOKOSA-N 0 1 389.496 3.376 20 30 GGEDMN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000271931692 1434860124 /nfs/dbraw/zinc/86/01/24/1434860124.db2.gz LKKDIRGLFSYGPV-KBPBESRZSA-N 0 1 375.469 3.359 20 30 GGEDMN COc1cc(CN[C@H](C)c2ccc(C#N)c(F)c2)ccc1OCC(=O)N(C)C ZINC000271933665 1434860294 /nfs/dbraw/zinc/86/02/94/1434860294.db2.gz JIPCRSZVBCRIQJ-CQSZACIVSA-N 0 1 385.439 3.024 20 30 GGEDMN CC(C)C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271981049 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N#CCCCNC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000273157124 1434967297 /nfs/dbraw/zinc/96/72/97/1434967297.db2.gz MYIFKOUOCOKMNE-UHFFFAOYSA-N 0 1 391.519 3.112 20 30 GGEDMN C=CCc1ccc(OC[C@H](O)CN[C@@H](CCOC)c2ccco2)c(OC)c1 ZINC000273322652 1434980782 /nfs/dbraw/zinc/98/07/82/1434980782.db2.gz XFIUBBVHDJPOPP-MSOLQXFVSA-N 0 1 375.465 3.124 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000273564469 1434997167 /nfs/dbraw/zinc/99/71/67/1434997167.db2.gz ZCVHRVJAUCLCEZ-PBHICJAKSA-N 0 1 396.390 3.174 20 30 GGEDMN CC[C@@H]1CN(C(=O)Nc2cc(C)n(CCC#N)n2)CCN1Cc1ccccc1 ZINC000273847690 1435021036 /nfs/dbraw/zinc/02/10/36/1435021036.db2.gz MYZZDKJQXFZJLS-LJQANCHMSA-N 0 1 380.496 3.234 20 30 GGEDMN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C(=O)C(F)(F)F)CC1)C(C)C ZINC000274809558 1435094564 /nfs/dbraw/zinc/09/45/64/1435094564.db2.gz BLWIQQYCTIVBRV-MRXNPFEDSA-N 0 1 389.462 3.238 20 30 GGEDMN COc1cccc([C@H](CNC(=O)Nc2ncccc2OCCCC#N)N(C)C)c1 ZINC000275038035 1435111842 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385.468 3.089 20 30 GGEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C=Cc2ccc(OCC#N)c(OC)c2)n[nH]1 ZINC000277139451 1435267244 /nfs/dbraw/zinc/26/72/44/1435267244.db2.gz VAMJFGNPQOAMDB-LUIPGBGBSA-N 0 1 383.452 3.120 20 30 GGEDMN N#Cc1cccc(COc2cccc(CN[C@H](C[NH+]3CCCCC3)C(=O)[O-])c2)c1 ZINC000277247369 1435284485 /nfs/dbraw/zinc/28/44/85/1435284485.db2.gz JPAANFFCTLIWEX-JOCHJYFZSA-N 0 1 393.487 3.166 20 30 GGEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(C#N)ccc2OCCOC)n[nH]1 ZINC000277456989 1435305992 /nfs/dbraw/zinc/30/59/92/1435305992.db2.gz QASNLJHAAKJXIA-OLZOCXBDSA-N 0 1 386.456 3.098 20 30 GGEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2OCCOC)n[nH]1 ZINC000277456983 1435305997 /nfs/dbraw/zinc/30/59/97/1435305997.db2.gz QASNLJHAAKJXIA-CHWSQXEVSA-N 0 1 386.456 3.098 20 30 GGEDMN C=CC[C@@H]1N(C(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)CCCC1(C)C ZINC000277545390 1435311826 /nfs/dbraw/zinc/31/18/26/1435311826.db2.gz BQMISBABSBIOIF-INIZCTEOSA-N 0 1 381.480 3.083 20 30 GGEDMN C=CC[C@H]1N(C(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)CCCC1(C)C ZINC000277545393 1435311872 /nfs/dbraw/zinc/31/18/72/1435311872.db2.gz BQMISBABSBIOIF-MRXNPFEDSA-N 0 1 381.480 3.083 20 30 GGEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCCC(=O)Nc2ccccc2C#N)n[nH]1 ZINC000277820690 1435333674 /nfs/dbraw/zinc/33/36/74/1435333674.db2.gz LRMAJMZEQMEDPP-KGLIPLIRSA-N 0 1 382.468 3.176 20 30 GGEDMN CC(C)[C@@](C)(C#N)NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278039228 1435352704 /nfs/dbraw/zinc/35/27/04/1435352704.db2.gz CDXLGIJVWWXGLM-GOSISDBHSA-N 0 1 397.441 3.355 20 30 GGEDMN C#CCN1CCC(c2nc(-c3cc(Cl)ccc3OCCOC)no2)CC1 ZINC000278134701 1435363001 /nfs/dbraw/zinc/36/30/01/1435363001.db2.gz QFGQVZLPBRBPCY-UHFFFAOYSA-N 0 1 375.856 3.228 20 30 GGEDMN CC(C)(C#N)CC(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000278185542 1435367693 /nfs/dbraw/zinc/36/76/93/1435367693.db2.gz BLMBEQDGJJRFNH-UHFFFAOYSA-N 0 1 391.519 3.325 20 30 GGEDMN C#CCN1CCC(c2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)CC1 ZINC000278199187 1435368747 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C#CCN1CCC(C(=O)N(CCc2ccccn2)Cc2ccc(OC)cc2)CC1 ZINC000280383702 1435649468 /nfs/dbraw/zinc/64/94/68/1435649468.db2.gz ZDYBUWOWJGOKGU-UHFFFAOYSA-N 0 1 391.515 3.007 20 30 GGEDMN Cc1oc(C#N)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000280597296 1435685611 /nfs/dbraw/zinc/68/56/11/1435685611.db2.gz IZMJDPATSPLTNM-UHFFFAOYSA-N 0 1 392.381 3.483 20 30 GGEDMN N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000280861243 1435732287 /nfs/dbraw/zinc/73/22/87/1435732287.db2.gz QMYOKFGODHTKTJ-MOPGFXCFSA-N 0 1 378.501 3.255 20 30 GGEDMN C=CCN1CC[C@@H](N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)C1=O ZINC000280900625 1435738989 /nfs/dbraw/zinc/73/89/89/1435738989.db2.gz BNPLZDAIZDDSDA-IIBYNOLFSA-N 0 1 395.478 3.444 20 30 GGEDMN CNC(=O)CN(CCCC1(C#N)CCOCC1)Cc1cccc(C(F)(F)F)c1 ZINC000281140540 1435783012 /nfs/dbraw/zinc/78/30/12/1435783012.db2.gz AQOVMUINRRBQGG-UHFFFAOYSA-N 0 1 397.441 3.354 20 30 GGEDMN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000281352868 1435805117 /nfs/dbraw/zinc/80/51/17/1435805117.db2.gz DQDIUNJSHRIPJA-WWMYMODYSA-N 0 1 399.535 3.083 20 30 GGEDMN Cc1cc(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)n[nH]1 ZINC000282433821 1435847080 /nfs/dbraw/zinc/84/70/80/1435847080.db2.gz UOLWHLVURDTEQL-UHFFFAOYSA-N 0 1 398.410 3.177 20 30 GGEDMN COc1cc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)ccc1C#N ZINC000282448384 1435847592 /nfs/dbraw/zinc/84/75/92/1435847592.db2.gz UYQNDLVXVUASLN-UHFFFAOYSA-N 0 1 393.443 3.146 20 30 GGEDMN N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3CCCC34CCOCC4)CC2)cc1 ZINC000282756279 1435859214 /nfs/dbraw/zinc/85/92/14/1435859214.db2.gz GSSSMACUUIPFMK-NRFANRHFSA-N 0 1 396.535 3.125 20 30 GGEDMN CC(C)c1nnc([C@@H]2COCCN2C2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000282937376 1435866855 /nfs/dbraw/zinc/86/68/55/1435866855.db2.gz GGDQULXBLZPLBN-FQEVSTJZSA-N 0 1 395.507 3.103 20 30 GGEDMN COc1cc(C=CC(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)ccc1OCC#N ZINC000283350071 1435885503 /nfs/dbraw/zinc/88/55/03/1435885503.db2.gz POCOUYWZYPSTNF-JKNJVXJCSA-N 0 1 380.448 3.049 20 30 GGEDMN Cc1nc2c(cccc2C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[nH]1 ZINC000283597833 1435897257 /nfs/dbraw/zinc/89/72/57/1435897257.db2.gz YAFSEROXTXJAGU-UHFFFAOYSA-N 0 1 387.443 3.234 20 30 GGEDMN CC(C)(C)c1ncc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000284363303 1436016150 /nfs/dbraw/zinc/01/61/50/1436016150.db2.gz NEQGASILLRWECP-UHFFFAOYSA-N 0 1 377.492 3.496 20 30 GGEDMN COc1ncc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000284411033 1436019601 /nfs/dbraw/zinc/01/96/01/1436019601.db2.gz QFYCGFIAEVAPCE-ACJLOTCBSA-N 0 1 384.867 3.067 20 30 GGEDMN N#CCCN(C(=O)CN1CCC2(CCOCC2)CC1)c1cccc(Cl)c1 ZINC000284685708 1436040069 /nfs/dbraw/zinc/04/00/69/1436040069.db2.gz HFBHWALNSYZFHB-UHFFFAOYSA-N 0 1 375.900 3.479 20 30 GGEDMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000284739405 1436044919 /nfs/dbraw/zinc/04/49/19/1436044919.db2.gz KSOXBWRPYSUKEB-CABCVRRESA-N 0 1 385.489 3.030 20 30 GGEDMN CC[C@H](C#N)Oc1cccc(CNc2c(-c3nnn[n-]3)c[nH+]c3ccccc32)c1 ZINC000820843005 1441721862 /nfs/dbraw/zinc/72/18/62/1441721862.db2.gz RZONNDAFIKUTER-OAHLLOKOSA-N 0 1 385.431 3.130 20 30 GGEDMN C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735399210 1441749677 /nfs/dbraw/zinc/74/96/77/1441749677.db2.gz QNDJHTGSXXRBOI-CYBMUJFWSA-N 0 1 388.541 3.422 20 30 GGEDMN C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735399210 1441749680 /nfs/dbraw/zinc/74/96/80/1441749680.db2.gz QNDJHTGSXXRBOI-CYBMUJFWSA-N 0 1 388.541 3.422 20 30 GGEDMN CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000820107925 1441892533 /nfs/dbraw/zinc/89/25/33/1441892533.db2.gz DJASQKIGHKKTAX-AWEZNQCLSA-N 0 1 394.483 3.116 20 30 GGEDMN CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000820107925 1441892536 /nfs/dbraw/zinc/89/25/36/1441892536.db2.gz DJASQKIGHKKTAX-AWEZNQCLSA-N 0 1 394.483 3.116 20 30 GGEDMN CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000820107925 1441892540 /nfs/dbraw/zinc/89/25/40/1441892540.db2.gz DJASQKIGHKKTAX-AWEZNQCLSA-N 0 1 394.483 3.116 20 30 GGEDMN Clc1ccccc1C#CC[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826353292 1441991520 /nfs/dbraw/zinc/99/15/20/1441991520.db2.gz JIJLTYWXINHMQA-UHFFFAOYSA-N 0 1 392.894 3.084 20 30 GGEDMN Clc1ccccc1C#CC[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826353292 1441991521 /nfs/dbraw/zinc/99/15/21/1441991521.db2.gz JIJLTYWXINHMQA-UHFFFAOYSA-N 0 1 392.894 3.084 20 30 GGEDMN C=CCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000823931662 1443156859 /nfs/dbraw/zinc/15/68/59/1443156859.db2.gz CQLHLXKVHRTSJW-HXUWFJFHSA-N 0 1 377.448 3.005 20 30 GGEDMN C=CCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000823931662 1443156861 /nfs/dbraw/zinc/15/68/61/1443156861.db2.gz CQLHLXKVHRTSJW-HXUWFJFHSA-N 0 1 377.448 3.005 20 30 GGEDMN C[C@H]1CCC[C@@H]([NH+]2CCC(N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)CC2)C1 ZINC000824925266 1443438578 /nfs/dbraw/zinc/43/85/78/1443438578.db2.gz 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N#Cc1cnc(Cl)cc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164960521 722052920 /nfs/dbraw/zinc/05/29/20/722052920.db2.gz RASBSYPHYURTJH-UHFFFAOYSA-N 0 1 397.910 3.121 20 30 GGEDMN N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995791 722197942 /nfs/dbraw/zinc/19/79/42/722197942.db2.gz YAWLKJJFEXWQRV-FQEVSTJZSA-N 0 1 381.411 3.245 20 30 GGEDMN CCc1nc(C#N)c(C#N)nc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995011 722211915 /nfs/dbraw/zinc/21/19/15/722211915.db2.gz FGBXAMPKJJDYTD-QFIPXVFZSA-N 0 1 390.466 3.166 20 30 GGEDMN CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)o1 ZINC000735939380 944721337 /nfs/dbraw/zinc/72/13/37/944721337.db2.gz OIUGCTVXWADKTB-HIFRSBDPSA-N 0 1 386.504 3.421 20 30 GGEDMN C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)[O-])C1 ZINC001602718090 971372271 /nfs/dbraw/zinc/37/22/71/971372271.db2.gz CZMVXJQMWZZHON-ZDUSSCGKSA-N 0 1 394.493 3.158 20 30 GGEDMN C=CC[C@H]1CCC[N@H+](CC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)[O-])C1 ZINC001602718090 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HNUCHCBDLJWHLH-QZNHQWIBSA-N 0 1 387.505 3.062 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589341935 986259390 /nfs/dbraw/zinc/25/93/90/986259390.db2.gz QYGORWXLCAMFRJ-INIZCTEOSA-N 0 1 377.444 3.078 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589341935 986259396 /nfs/dbraw/zinc/25/93/96/986259396.db2.gz QYGORWXLCAMFRJ-INIZCTEOSA-N 0 1 377.444 3.078 20 30 GGEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589341930 986260240 /nfs/dbraw/zinc/26/02/40/986260240.db2.gz QXEAHBMEOPBMRY-OAHLLOKOSA-N 0 1 395.434 3.217 20 30 GGEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589341930 986260251 /nfs/dbraw/zinc/26/02/51/986260251.db2.gz QXEAHBMEOPBMRY-OAHLLOKOSA-N 0 1 395.434 3.217 20 30 GGEDMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001594568201 986369541 /nfs/dbraw/zinc/36/95/41/986369541.db2.gz JCTLPCPRJHHWFB-GOSISDBHSA-N 0 1 392.503 3.445 20 30 GGEDMN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC001594568210 986370299 /nfs/dbraw/zinc/37/02/99/986370299.db2.gz JCTLPCPRJHHWFB-SFHVURJKSA-N 0 1 392.503 3.445 20 30 GGEDMN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589431104 986725065 /nfs/dbraw/zinc/72/50/65/986725065.db2.gz DMQZCCYXLHYFOT-YVEFUNNKSA-N 0 1 383.835 3.223 20 30 GGEDMN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589431104 986725070 /nfs/dbraw/zinc/72/50/70/986725070.db2.gz DMQZCCYXLHYFOT-YVEFUNNKSA-N 0 1 383.835 3.223 20 30 GGEDMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CCCCC1(C#N)CCC1)C[C@H]2C(=O)[O-] ZINC001589948023 988738965 /nfs/dbraw/zinc/73/89/65/988738965.db2.gz JLRRZNWQTBAIBE-INIZCTEOSA-N 0 1 391.512 3.104 20 30 GGEDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2Cc1cccc(C(=O)[O-])c1C#N ZINC001590003292 988929838 /nfs/dbraw/zinc/92/98/38/988929838.db2.gz CFWBALDZRYYYPH-QZTJIDSGSA-N 0 1 385.464 3.230 20 30 GGEDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2Cc1cccc(C(=O)[O-])c1C#N ZINC001590003292 988929841 /nfs/dbraw/zinc/92/98/41/988929841.db2.gz CFWBALDZRYYYPH-QZTJIDSGSA-N 0 1 385.464 3.230 20 30 GGEDMN C[C@@H]1CC[N@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001599849379 988987446 /nfs/dbraw/zinc/98/74/46/988987446.db2.gz PWVDQBCISCQXHL-ZBFHGGJFSA-N 0 1 387.480 3.382 20 30 GGEDMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001599849379 988987453 /nfs/dbraw/zinc/98/74/53/988987453.db2.gz PWVDQBCISCQXHL-ZBFHGGJFSA-N 0 1 387.480 3.382 20 30 GGEDMN CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@H+](Cc3cccc(C(=O)[O-])c3C#N)[C@@H]2C1 ZINC001590091677 989210429 /nfs/dbraw/zinc/21/04/29/989210429.db2.gz RVVFIANVOSUEMI-MAUKXSAKSA-N 0 1 385.464 3.088 20 30 GGEDMN CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@@H+](Cc3cccc(C(=O)[O-])c3C#N)[C@@H]2C1 ZINC001590091677 989210437 /nfs/dbraw/zinc/21/04/37/989210437.db2.gz RVVFIANVOSUEMI-MAUKXSAKSA-N 0 1 385.464 3.088 20 30 GGEDMN CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001590184986 989536367 /nfs/dbraw/zinc/53/63/67/989536367.db2.gz MVJNSOMBCGUETA-MAUKXSAKSA-N 0 1 387.480 3.311 20 30 GGEDMN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@H+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001590215494 989584578 /nfs/dbraw/zinc/58/45/78/989584578.db2.gz GZIMZJMAJTYZKR-SVMVAKDDSA-N 0 1 399.491 3.311 20 30 GGEDMN COc1ccccc1NC(=O)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001599715161 991441067 /nfs/dbraw/zinc/44/10/67/991441067.db2.gz LWJUXZFQEABTNA-YLJYHZDGSA-N 0 1 393.443 3.043 20 30 GGEDMN C[N@@H+](CCOCC(F)(F)C(F)F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598496882 992379002 /nfs/dbraw/zinc/37/90/02/992379002.db2.gz NHAOCLWTWOSZJI-NSHDSACASA-N 0 1 377.256 3.078 20 30 GGEDMN Cn1c2ccc(F)cc2c(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1C(=O)[O-] ZINC001598506134 992505369 /nfs/dbraw/zinc/50/53/69/992505369.db2.gz VNQNXGAWWIGXBO-IBGZPJMESA-N 0 1 381.407 3.053 20 30 GGEDMN C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598532779 992804525 /nfs/dbraw/zinc/80/45/25/992804525.db2.gz GXVWHZLBWQYDAV-KRWDZBQOSA-N 0 1 399.248 3.226 20 30 GGEDMN COc1cccc([C@@H](O)C2CC[NH+](Cc3cccc(C(=O)[O-])c3C#N)CC2)c1 ZINC001599657997 994611753 /nfs/dbraw/zinc/61/17/53/994611753.db2.gz ARGBDHSJBCWVQM-NRFANRHFSA-N 0 1 380.444 3.211 20 30 GGEDMN C[C@@H](Oc1ccccc1C[N@H+]1CCCN(c2ccccc2C#N)CC1)C(=O)[O-] ZINC001593645702 995977472 /nfs/dbraw/zinc/97/74/72/995977472.db2.gz LNRAEFPCHZDBBX-QGZVFWFLSA-N 0 1 379.460 3.122 20 30 GGEDMN C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC001593703782 996182182 /nfs/dbraw/zinc/18/21/82/996182182.db2.gz VLDVJDWPDWOKCD-CQSZACIVSA-N 0 1 379.416 3.406 20 30 GGEDMN C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC001593703782 996182186 /nfs/dbraw/zinc/18/21/86/996182186.db2.gz VLDVJDWPDWOKCD-CQSZACIVSA-N 0 1 379.416 3.406 20 30 GGEDMN C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC001593703781 996182292 /nfs/dbraw/zinc/18/22/92/996182292.db2.gz VLDVJDWPDWOKCD-AWEZNQCLSA-N 0 1 379.416 3.406 20 30 GGEDMN C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC001593703781 996182297 /nfs/dbraw/zinc/18/22/97/996182297.db2.gz VLDVJDWPDWOKCD-AWEZNQCLSA-N 0 1 379.416 3.406 20 30 GGEDMN COC[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC001599193174 997162713 /nfs/dbraw/zinc/16/27/13/997162713.db2.gz ZGWZENORODVSHV-QFIPXVFZSA-N 0 1 380.444 3.203 20 30 GGEDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC001599463929 998324248 /nfs/dbraw/zinc/32/42/48/998324248.db2.gz QLCHQTPZFBZOEU-IBGZPJMESA-N 0 1 383.419 3.269 20 30 GGEDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CC#Cc1ccc(F)cc1)CC2 ZINC001599463929 998324260 /nfs/dbraw/zinc/32/42/60/998324260.db2.gz QLCHQTPZFBZOEU-IBGZPJMESA-N 0 1 383.419 3.269 20 30 GGEDMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001599465504 998353114 /nfs/dbraw/zinc/35/31/14/998353114.db2.gz KIRUNSIQSUFGOZ-LJQANCHMSA-N 0 1 380.444 3.458 20 30 GGEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001594292769 999129518 /nfs/dbraw/zinc/12/95/18/999129518.db2.gz UGERWSHTWPAIOQ-DDDLWCFWSA-N 0 1 397.519 3.034 20 30 GGEDMN C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C(=O)[O-])C1 ZINC001594418854 999563386 /nfs/dbraw/zinc/56/33/86/999563386.db2.gz KVJORTCRPOEOHV-WFASDCNBSA-N 0 1 375.494 3.012 20 30 GGEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCCC[C@H]3C(=O)[O-])sc2C1 ZINC001594441436 999627178 /nfs/dbraw/zinc/62/71/78/999627178.db2.gz CIIXSCIPCCNWMS-CJNGLKHVSA-N 0 1 389.521 3.402 20 30 GGEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C(C)(C)CC(=O)[O-])sc2C1 ZINC001594442602 999629772 /nfs/dbraw/zinc/62/97/72/999629772.db2.gz VTALMGQIUSXOSO-GFCCVEGCSA-N 0 1 377.510 3.258 20 30 GGEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C3(C(=O)[O-])CCCC3)sc2C1 ZINC001594442710 999630288 /nfs/dbraw/zinc/63/02/88/999630288.db2.gz YYWZCUMMLGJFDL-CYBMUJFWSA-N 0 1 389.521 3.402 20 30 GGEDMN COc1ccc([C@@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)c(OC)c1 ZINC000037200156 205024135 /nfs/dbraw/zinc/02/41/35/205024135.db2.gz UMXZHSKIJGXQOE-UWJYYQICSA-N 0 1 382.460 3.152 20 30 GGEDMN C#CCCCC(=O)Nc1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000192042862 518246450 /nfs/dbraw/zinc/24/64/50/518246450.db2.gz HCPOTSYEWDLVBZ-UHFFFAOYSA-N 0 1 390.436 3.377 20 30 GGEDMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1cc(C#N)ccc1C ZINC000114673820 564180449 /nfs/dbraw/zinc/18/04/49/564180449.db2.gz ZSMARVXEUWBUNT-UHFFFAOYSA-N 0 1 380.853 3.346 20 30 GGEDMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1Cl ZINC000118301875 564238712 /nfs/dbraw/zinc/23/87/12/564238712.db2.gz OWLBGBJNBWEYOD-UHFFFAOYSA-N 0 1 385.228 3.452 20 30 GGEDMN COc1ccc([C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)cc1Br ZINC000007879426 564243033 /nfs/dbraw/zinc/24/30/33/564243033.db2.gz RIGAVFXREXVDTC-SJKOYZFVSA-N 0 1 382.302 3.163 20 30 GGEDMN CSCCc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000121346888 564364610 /nfs/dbraw/zinc/36/46/10/564364610.db2.gz CBHGMRVPVKRCGW-UHFFFAOYSA-N 0 1 377.447 3.173 20 30 GGEDMN CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1Cl ZINC000122086683 564399341 /nfs/dbraw/zinc/39/93/41/564399341.db2.gz IAKHKRPLQDZFJS-UHFFFAOYSA-N 0 1 384.244 3.025 20 30 GGEDMN CC(C)(C)c1csc(CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000125168310 564505419 /nfs/dbraw/zinc/50/54/19/564505419.db2.gz IRIHHCJVTYSXGP-UHFFFAOYSA-N 0 1 385.461 3.111 20 30 GGEDMN COc1ccc(CN(C)[C@@H](CO)c2cccc(Br)c2)cc1C#N ZINC000125564718 564518560 /nfs/dbraw/zinc/51/85/60/564518560.db2.gz NQODPCGWIOSGAB-KRWDZBQOSA-N 0 1 375.266 3.495 20 30 GGEDMN CN(Cc1cc(Br)cs1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000047752781 564526280 /nfs/dbraw/zinc/52/62/80/564526280.db2.gz PVKMYWVPXUBYKD-OAHLLOKOSA-N 0 1 395.322 3.448 20 30 GGEDMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000125968982 564532946 /nfs/dbraw/zinc/53/29/46/564532946.db2.gz HMYGOSRDKGMHOA-UHFFFAOYSA-N 0 1 383.926 3.026 20 30 GGEDMN CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000062930406 564713515 /nfs/dbraw/zinc/71/35/15/564713515.db2.gz XWURMVKNXYEGAL-UHFFFAOYSA-N 0 1 380.853 3.428 20 30 GGEDMN Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000063497166 564717655 /nfs/dbraw/zinc/71/76/55/564717655.db2.gz KTLHZCAZOSLOEV-UHFFFAOYSA-N 0 1 389.257 3.415 20 30 GGEDMN COc1ccc(C#N)cc1NS(=O)(=O)c1cc(Br)ccc1C ZINC000064479065 564731046 /nfs/dbraw/zinc/73/10/46/564731046.db2.gz LPSYOCGGWCOBFL-UHFFFAOYSA-N 0 1 381.251 3.439 20 30 GGEDMN COc1cc(C)c(S(=O)(=O)Nc2nc(C)c(SCC#N)s2)cc1C ZINC000066253720 564759833 /nfs/dbraw/zinc/75/98/33/564759833.db2.gz KINRJQFIYQGDER-UHFFFAOYSA-N 0 1 383.520 3.493 20 30 GGEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000066921280 564778814 /nfs/dbraw/zinc/77/88/14/564778814.db2.gz SVWALDGMFCOUMT-SFHVURJKSA-N 0 1 375.310 3.458 20 30 GGEDMN CN(CCc1ccc(Br)cc1)CC(=O)NC1(C#N)CCCCC1 ZINC000078611023 564864268 /nfs/dbraw/zinc/86/42/68/564864268.db2.gz VPDBAVUZOLQZHD-UHFFFAOYSA-N 0 1 378.314 3.266 20 30 GGEDMN C[C@@](C#N)(NC(=O)CNC1(c2ccc(Br)cc2)CCC1)C1CC1 ZINC000101545366 564917189 /nfs/dbraw/zinc/91/71/89/564917189.db2.gz QBXFWZYQUSMLIX-KRWDZBQOSA-N 0 1 376.298 3.226 20 30 GGEDMN COc1cc(C#N)ccc1OCCN(C)Cc1cc(Br)cn1C ZINC000151477384 564921342 /nfs/dbraw/zinc/92/13/42/564921342.db2.gz OWPAZZNSBZEVSN-UHFFFAOYSA-N 0 1 378.270 3.179 20 30 GGEDMN CCOCCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000102862374 564937848 /nfs/dbraw/zinc/93/78/48/564937848.db2.gz RMROKXBPOJTPAT-UHFFFAOYSA-N 0 1 380.853 3.428 20 30 GGEDMN COc1cc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)cc(OC)c1 ZINC000153967682 565019508 /nfs/dbraw/zinc/01/95/08/565019508.db2.gz GWTIUKYATVHXRE-UHFFFAOYSA-N 0 1 397.250 3.139 20 30 GGEDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000153964854 565019634 /nfs/dbraw/zinc/01/96/34/565019634.db2.gz JDUDAUAQKWTQOS-UHFFFAOYSA-N 0 1 396.222 3.338 20 30 GGEDMN COc1ccc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)c(OC)c1 ZINC000153968526 565019729 /nfs/dbraw/zinc/01/97/29/565019729.db2.gz DKEDUJRUHKAOSJ-UHFFFAOYSA-N 0 1 397.250 3.139 20 30 GGEDMN COCc1ccccc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000153974585 565020000 /nfs/dbraw/zinc/02/00/00/565020000.db2.gz KOYADFHCRUEFAM-UHFFFAOYSA-N 0 1 381.251 3.268 20 30 GGEDMN C[S@@](=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000154446966 565039431 /nfs/dbraw/zinc/03/94/31/565039431.db2.gz XIRNPQRPOJYJQQ-DEOSSOPVSA-N 0 1 388.392 3.115 20 30 GGEDMN CN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)c1cccc(C#N)c1 ZINC000112631539 565065333 /nfs/dbraw/zinc/06/53/33/565065333.db2.gz MRORYCAMSJYHMO-UHFFFAOYSA-N 0 1 382.217 3.439 20 30 GGEDMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(OCCCC#N)c2)cs1 ZINC000266518513 565083037 /nfs/dbraw/zinc/08/30/37/565083037.db2.gz ZFJQTYHPPFQJKQ-UHFFFAOYSA-N 0 1 380.447 3.018 20 30 GGEDMN CC(C)COC[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000157002002 565114670 /nfs/dbraw/zinc/11/46/70/565114670.db2.gz ASASGMXDPNVQJW-OAHLLOKOSA-N 0 1 382.869 3.497 20 30 GGEDMN N#Cc1cccc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)c1 ZINC000184461997 565136298 /nfs/dbraw/zinc/13/62/98/565136298.db2.gz RYJFJOJKIWRGNQ-UHFFFAOYSA-N 0 1 379.235 3.056 20 30 GGEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Br)cc1C ZINC000184779303 565156805 /nfs/dbraw/zinc/15/68/05/565156805.db2.gz JBAJFCMMEJBMFP-UHFFFAOYSA-N 0 1 381.251 3.439 20 30 GGEDMN CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185107511 565179059 /nfs/dbraw/zinc/17/90/59/565179059.db2.gz HRFYYJHWYQBRHT-UHFFFAOYSA-N 0 1 383.926 3.026 20 30 GGEDMN N#Cc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c(Br)c1 ZINC000295513411 565271481 /nfs/dbraw/zinc/27/14/81/565271481.db2.gz HZXJLPLKTSMILS-GOEBONIOSA-N 0 1 384.277 3.102 20 30 GGEDMN CC(C)(C[C@@H]1CCCN(Cc2ccc(C#N)cc2Br)C1)C(N)=O ZINC000295546091 565272233 /nfs/dbraw/zinc/27/22/33/565272233.db2.gz JZHUMEFFEVASDU-AWEZNQCLSA-N 0 1 378.314 3.434 20 30 GGEDMN CC(C)(C[C@H]1CCCN(Cc2cc(C#N)ccc2Br)C1)C(N)=O ZINC000295594716 565276125 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C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1n[nH]c(CC)n1 ZINC000297193896 565361110 /nfs/dbraw/zinc/36/11/10/565361110.db2.gz CGLUJHJLHXDSAY-UHFFFAOYSA-N 0 1 396.264 3.167 20 30 GGEDMN CN1CCCN(c2ccc(-c3noc(CSCC#N)n3)cc2Cl)CC1 ZINC000274228909 565363332 /nfs/dbraw/zinc/36/33/32/565363332.db2.gz UZDUUEVFSXNXAL-UHFFFAOYSA-N 0 1 377.901 3.289 20 30 GGEDMN C=CCNC(=O)NC(=O)CN[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188189712 565387557 /nfs/dbraw/zinc/38/75/57/565387557.db2.gz AICJIXXNHNQZOP-OAHLLOKOSA-N 0 1 398.276 3.031 20 30 GGEDMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc(C#N)cc1Br ZINC000275357321 565406023 /nfs/dbraw/zinc/40/60/23/565406023.db2.gz VROJHFCLYKPZOA-WMZOPIPTSA-N 0 1 389.297 3.291 20 30 GGEDMN Cc1nc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)ccc1C#N ZINC000171099716 565409488 /nfs/dbraw/zinc/40/94/88/565409488.db2.gz FSIORLVEIJJPJU-UHFFFAOYSA-N 0 1 383.209 3.062 20 30 GGEDMN C[C@H](/N=C/c1cc(Br)cc(Br)c1O)c1ncn(C)n1 ZINC000275456196 565412000 /nfs/dbraw/zinc/41/20/00/565412000.db2.gz JPWPNUAIGSEXSO-JGSFKELHSA-N 0 1 388.063 3.226 20 30 GGEDMN N#Cc1ccc(C(=O)Nc2cnn(-c3ccccc3Br)c2)cc1O ZINC000189022356 565437695 /nfs/dbraw/zinc/43/76/95/565437695.db2.gz FNYNEGYBECHUFP-UHFFFAOYSA-N 0 1 383.205 3.464 20 30 GGEDMN C#CCN(C(=O)CCc1cnc[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000376670049 565448043 /nfs/dbraw/zinc/44/80/43/565448043.db2.gz FWCDDBWKOZUHQI-INIZCTEOSA-N 0 1 388.265 3.090 20 30 GGEDMN CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000171820514 565452837 /nfs/dbraw/zinc/45/28/37/565452837.db2.gz UDCLKHHLPHQXKH-UHFFFAOYSA-N 0 1 395.531 3.063 20 30 GGEDMN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC[C@H]2CCCO2)CC1 ZINC000189799567 565489703 /nfs/dbraw/zinc/48/97/03/565489703.db2.gz XVJUYHDHSFVJTH-MSOLQXFVSA-N 0 1 378.314 3.200 20 30 GGEDMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000172591086 565493726 /nfs/dbraw/zinc/49/37/26/565493726.db2.gz QPUVFHWAWCJQBE-UHFFFAOYSA-N 0 1 380.853 3.346 20 30 GGEDMN N#Cc1ccc(CN2CC[C@H](NCc3csc(Br)c3)C2=O)cc1 ZINC000277438391 565496781 /nfs/dbraw/zinc/49/67/81/565496781.db2.gz OEQVPPRVAQSYJG-HNNXBMFYSA-N 0 1 390.306 3.273 20 30 GGEDMN N#Cc1ccc(CN2CC[C@@H](NCc3csc(Br)c3)C2=O)cc1 ZINC000277438396 565496940 /nfs/dbraw/zinc/49/69/40/565496940.db2.gz OEQVPPRVAQSYJG-OAHLLOKOSA-N 0 1 390.306 3.273 20 30 GGEDMN C=CCN1CCC(NC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)CC1 ZINC000172908684 565511981 /nfs/dbraw/zinc/51/19/81/565511981.db2.gz WENYOVWPZHTURZ-AWEZNQCLSA-N 0 1 393.325 3.425 20 30 GGEDMN CN1CCN(c2ccc(CNc3ccc(Br)cc3C#N)cn2)CC1 ZINC000302210472 565537486 /nfs/dbraw/zinc/53/74/86/565537486.db2.gz YIHWYWIZRTYUGU-UHFFFAOYSA-N 0 1 386.297 3.080 20 30 GGEDMN C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000386483736 565548018 /nfs/dbraw/zinc/54/80/18/565548018.db2.gz WNQPCBUMJBCWPQ-CQSZACIVSA-N 0 1 377.897 3.010 20 30 GGEDMN C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)N(C)Cc1ccccc1 ZINC000390769039 565557538 /nfs/dbraw/zinc/55/75/38/565557538.db2.gz UKAIJZVOWRHRDY-CQSZACIVSA-N 0 1 377.897 3.010 20 30 GGEDMN CN1CCC(C#N)(NC(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC000322359515 565608999 /nfs/dbraw/zinc/60/89/99/565608999.db2.gz HNTDPHBJIVFLLB-UHFFFAOYSA-N 0 1 390.203 3.186 20 30 GGEDMN CN1CCC(C#N)(NC(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000323419271 565613546 /nfs/dbraw/zinc/61/35/46/565613546.db2.gz OBIKIVPYYJGEBK-UHFFFAOYSA-N 0 1 390.203 3.186 20 30 GGEDMN COC(=O)CCN(Cc1cc(C#N)n(C)c1)Cc1cccc(Br)c1 ZINC000191631090 565617830 /nfs/dbraw/zinc/61/78/30/565617830.db2.gz FXLCUEGTJMZEBD-UHFFFAOYSA-N 0 1 390.281 3.225 20 30 GGEDMN C[C@@H]1CN(C[C@@H]2CCCN2Cc2cc(C#N)ccc2Br)C[C@H](C)O1 ZINC000191778175 565630543 /nfs/dbraw/zinc/63/05/43/565630543.db2.gz AABMHZOSZVVSCU-DAYGRLMNSA-N 0 1 392.341 3.394 20 30 GGEDMN N#Cc1ccc(Br)c(CN2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000191815181 565635892 /nfs/dbraw/zinc/63/58/92/565635892.db2.gz YOCPQWSWDVKABX-RDTXWAMCSA-N 0 1 388.309 3.296 20 30 GGEDMN C=CCN(Cc1cc(Br)ccc1F)C(=O)CSc1nnc(C)[nH]1 ZINC000174681513 565650684 /nfs/dbraw/zinc/65/06/84/565650684.db2.gz XQQLKXQPTXIXBH-UHFFFAOYSA-N 0 1 399.289 3.322 20 30 GGEDMN C=CCN(Cc1cc(Br)ccc1F)C(=O)CSc1nc(C)n[nH]1 ZINC000174681513 565650689 /nfs/dbraw/zinc/65/06/89/565650689.db2.gz XQQLKXQPTXIXBH-UHFFFAOYSA-N 0 1 399.289 3.322 20 30 GGEDMN C[S@@](=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000174740970 565654767 /nfs/dbraw/zinc/65/47/67/565654767.db2.gz DCXYTTBTWVWWBH-XMMPIXPASA-N 0 1 388.392 3.115 20 30 GGEDMN CN1CC[C@@H](N2CCC(NC(=O)Cc3c(Cl)cccc3Cl)CC2)C1=O ZINC000329157987 565657353 /nfs/dbraw/zinc/65/73/53/565657353.db2.gz DITLAFDDBFSTHX-MRXNPFEDSA-N 0 1 384.307 3.188 20 30 GGEDMN CN1CC[C@@H](N2CCC(NC(=O)Cc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000329188243 565658406 /nfs/dbraw/zinc/65/84/06/565658406.db2.gz QIHYPQMLCFUHEJ-MRXNPFEDSA-N 0 1 384.307 3.188 20 30 GGEDMN CN1CC[C@H](N2CCC(NC(=O)c3cc(Cl)sc3Cl)CC2)C1=O ZINC000329196705 565659813 /nfs/dbraw/zinc/65/98/13/565659813.db2.gz UXGWHXLWBCIHCH-NSHDSACASA-N 0 1 376.309 3.055 20 30 GGEDMN C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@H+]1C ZINC000329329492 565663090 /nfs/dbraw/zinc/66/30/90/565663090.db2.gz LBKDTSVGUAJPLM-NXEZZACHSA-N 0 1 382.258 3.217 20 30 GGEDMN CC[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280417579 565670651 /nfs/dbraw/zinc/67/06/51/565670651.db2.gz YZMVWPACIWWXSH-QGZVFWFLSA-N 0 1 377.897 3.361 20 30 GGEDMN N#Cc1ccc(CN2CC[C@@H](NCc3ccc(Br)cc3)C2=O)cc1 ZINC000192245407 565674316 /nfs/dbraw/zinc/67/43/16/565674316.db2.gz PZHBGDRYVVUHIP-GOSISDBHSA-N 0 1 384.277 3.211 20 30 GGEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000330113698 565693124 /nfs/dbraw/zinc/69/31/24/565693124.db2.gz DFNFIZRJMNDAAJ-CQSZACIVSA-N 0 1 379.917 3.234 20 30 GGEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000330113697 565693489 /nfs/dbraw/zinc/69/34/89/565693489.db2.gz DFNFIZRJMNDAAJ-AWEZNQCLSA-N 0 1 379.917 3.234 20 30 GGEDMN [O-]C(N[C@@H]1CCc2cc(Br)ccc21)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330173199 565695534 /nfs/dbraw/zinc/69/55/34/565695534.db2.gz HDDWZFNVWAWRFM-UKRRQHHQSA-N 0 1 375.270 3.152 20 30 GGEDMN C[C@@H]1CN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)CCN1CC(C)(C)O ZINC000330241305 565698111 /nfs/dbraw/zinc/69/81/11/565698111.db2.gz FPTNCNRYGNZYST-TZMCWYRMSA-N 0 1 385.961 3.470 20 30 GGEDMN CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CCCN1C1CC1 ZINC000330222126 565698485 /nfs/dbraw/zinc/69/84/85/565698485.db2.gz RMZCFZKGFYROGQ-HNNXBMFYSA-N 0 1 380.286 3.122 20 30 GGEDMN COc1c(Cl)cc(NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1Cl ZINC000330351083 565702871 /nfs/dbraw/zinc/70/28/71/565702871.db2.gz LUVWHTHYCUNFPJ-LBPRGKRZSA-N 0 1 386.239 3.048 20 30 GGEDMN Cc1c(Br)cccc1NC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000330465648 565707849 /nfs/dbraw/zinc/70/78/49/565707849.db2.gz WSMLPJDFPQOBQX-CQSZACIVSA-N 0 1 384.318 3.440 20 30 GGEDMN CC[C@H]1CN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CCN1C[C@H](C)O ZINC000330663957 565718336 /nfs/dbraw/zinc/71/83/36/565718336.db2.gz XYGVOIFZWIMJGC-AAEUAGOBSA-N 0 1 390.311 3.325 20 30 GGEDMN C[C@@H](NC(=O)c1ccc(I)c([O-])c1)C(C)(C)C[NH+](C)C ZINC000330847991 565725497 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ZINC000512171643 566518790 /nfs/dbraw/zinc/51/87/90/566518790.db2.gz XZYCBWDMZLQYQH-MRXNPFEDSA-N 0 1 384.307 3.349 20 30 GGEDMN C=CC1CCN(Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)CC1 ZINC000449036464 566524043 /nfs/dbraw/zinc/52/40/43/566524043.db2.gz TXGMPSKOPWVBKA-CYBMUJFWSA-N 0 1 381.314 3.360 20 30 GGEDMN CC[C@@H](NCC(=O)N(CCC#N)CCC#N)c1cc(F)cc(Br)c1 ZINC000485839349 566530887 /nfs/dbraw/zinc/53/08/87/566530887.db2.gz DCFUPGXZSXRERR-MRXNPFEDSA-N 0 1 395.276 3.285 20 30 GGEDMN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](CC)c1cc(F)cc(Br)c1 ZINC000485843577 566532226 /nfs/dbraw/zinc/53/22/26/566532226.db2.gz JWNSOIFVXKFNSP-QMTHXVAHSA-N 0 1 386.265 3.029 20 30 GGEDMN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](CC)c1cc(F)cc(Br)c1 ZINC000485843576 566533079 /nfs/dbraw/zinc/53/30/79/566533079.db2.gz JWNSOIFVXKFNSP-IINYFYTJSA-N 0 1 386.265 3.029 20 30 GGEDMN CCN(CCC#N)C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000603904046 566546165 /nfs/dbraw/zinc/54/61/65/566546165.db2.gz YIQYLAVKDDIIPC-UHFFFAOYSA-N 0 1 394.298 3.088 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)cc1Cl ZINC000603977594 566548215 /nfs/dbraw/zinc/54/82/15/566548215.db2.gz RTYCCYUPNPSAOZ-UHFFFAOYSA-N 0 1 391.758 3.349 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1Cl ZINC000603972499 566548259 /nfs/dbraw/zinc/54/82/59/566548259.db2.gz AHUPKUKKMGKVGW-UHFFFAOYSA-N 0 1 375.837 3.139 20 30 GGEDMN C[C@@H](NCC#Cc1cccc(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000539303359 566572348 /nfs/dbraw/zinc/57/23/48/566572348.db2.gz HFKGCNIXIWJGRD-OAHLLOKOSA-N 0 1 376.909 3.293 20 30 GGEDMN CSc1cc2c(cc1NS(=O)(=O)c1cc(C#N)ccc1C)OCCO2 ZINC000513362374 566597339 /nfs/dbraw/zinc/59/73/39/566597339.db2.gz ABYPLSAEFXGOAX-UHFFFAOYSA-N 0 1 376.459 3.161 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000467146586 566630345 /nfs/dbraw/zinc/63/03/45/566630345.db2.gz JMYZGSVVTPYLHA-MWLCHTKSSA-N 0 1 382.354 3.483 20 30 GGEDMN CC(C)N(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Br)cc1 ZINC000514095266 566640643 /nfs/dbraw/zinc/64/06/43/566640643.db2.gz QFPZDTXJHADRJL-SFHVURJKSA-N 0 1 378.314 3.468 20 30 GGEDMN CC(C)n1cc(C#N)c(=NC(=O)c2cc(Br)ccc2OC(F)F)[nH]1 ZINC000579835719 566643636 /nfs/dbraw/zinc/64/36/36/566643636.db2.gz MVUHKGIIRFVMGS-UHFFFAOYSA-N 0 1 399.195 3.374 20 30 GGEDMN N#Cc1cc(Br)ccc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000450202692 566644188 /nfs/dbraw/zinc/64/41/88/566644188.db2.gz UZOGRUSKJVNMLI-UHFFFAOYSA-N 0 1 376.298 3.411 20 30 GGEDMN COc1ccccc1[C@H](CNc1ncc(Br)cc1C#N)N(C)C ZINC000450217553 566645942 /nfs/dbraw/zinc/64/59/42/566645942.db2.gz UGIBKWVHBRLFIY-HNNXBMFYSA-N 0 1 375.270 3.439 20 30 GGEDMN C[C@@H](CNc1ncc(Br)cc1C#N)N1CCc2sccc2C1 ZINC000450240915 566647325 /nfs/dbraw/zinc/64/73/25/566647325.db2.gz JKDKHMXANVNKSC-NSHDSACASA-N 0 1 377.311 3.058 20 30 GGEDMN C[C@H](CNc1ncc(Br)cc1C#N)N1CCc2sccc2C1 ZINC000450240914 566647769 /nfs/dbraw/zinc/64/77/69/566647769.db2.gz JKDKHMXANVNKSC-LLVKDONJSA-N 0 1 377.311 3.058 20 30 GGEDMN C[C@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)N(C)CCC#N ZINC000514685438 566662051 /nfs/dbraw/zinc/66/20/51/566662051.db2.gz RGKHCVKQTKWACY-JTQLQIEISA-N 0 1 394.298 3.087 20 30 GGEDMN COc1ccc(NC(=O)c2ccc(C#N)c(O)c2)c(I)c1 ZINC000487607003 566684339 /nfs/dbraw/zinc/68/43/39/566684339.db2.gz LPFTZDVHDUOROU-UHFFFAOYSA-N 0 1 394.168 3.129 20 30 GGEDMN CC(C)(C#N)CCS(=O)(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000515303998 566703999 /nfs/dbraw/zinc/70/39/99/566703999.db2.gz PEFUVRVERIZJRE-UHFFFAOYSA-N 0 1 377.857 3.079 20 30 GGEDMN C=CCN1CC[C@H](N(C)CCCC(=O)c2ccc(Br)cc2)C1=O ZINC000450911897 566720790 /nfs/dbraw/zinc/72/07/90/566720790.db2.gz XBERNTVQHAJLEH-INIZCTEOSA-N 0 1 379.298 3.131 20 30 GGEDMN C=CCN1CC[C@@H](N(C)CCCC(=O)c2ccc(Br)cc2)C1=O ZINC000450911899 566720850 /nfs/dbraw/zinc/72/08/50/566720850.db2.gz XBERNTVQHAJLEH-MRXNPFEDSA-N 0 1 379.298 3.131 20 30 GGEDMN COc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)cc1Br ZINC000468818763 566733982 /nfs/dbraw/zinc/73/39/82/566733982.db2.gz CKJLXNFTDVNUIU-NEPJUHHUSA-N 0 1 380.286 3.059 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cn1 ZINC000609231866 566753748 /nfs/dbraw/zinc/75/37/48/566753748.db2.gz QJHRUNGTMKZPCW-UHFFFAOYSA-N 0 1 377.294 3.408 20 30 GGEDMN CCOc1ccc(S(=O)(=O)Nc2cnc(C#N)c(Cl)c2)cc1OCC ZINC000451095056 566756004 /nfs/dbraw/zinc/75/60/04/566756004.db2.gz RJXKIKXHANKXMC-UHFFFAOYSA-N 0 1 381.841 3.205 20 30 GGEDMN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccccc2CC#N)c1 ZINC000427317414 566766219 /nfs/dbraw/zinc/76/62/19/566766219.db2.gz VZFRGAOIVNSQAW-UHFFFAOYSA-N 0 1 378.837 3.384 20 30 GGEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc(C#N)c2Br)n[nH]1 ZINC000451159858 566768032 /nfs/dbraw/zinc/76/80/32/566768032.db2.gz FAJVWPSQWGCFTR-UWVGGRQHSA-N 0 1 376.258 3.443 20 30 GGEDMN C=CCOc1ccccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609543101 566770316 /nfs/dbraw/zinc/77/03/16/566770316.db2.gz KGMUEYIRUFDKGQ-UHFFFAOYSA-N 0 1 382.825 3.292 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)NCCCC(F)(F)F)cc1Br ZINC000451257812 566783297 /nfs/dbraw/zinc/78/32/97/566783297.db2.gz DIARNAMPICAERG-UHFFFAOYSA-N 0 1 389.168 3.081 20 30 GGEDMN C=CCCCN1CCN(C(=O)c2ccccc2I)CC1 ZINC000609798670 566786823 /nfs/dbraw/zinc/78/68/23/566786823.db2.gz YRPALIITMZXNGH-UHFFFAOYSA-N 0 1 384.261 3.015 20 30 GGEDMN CN(C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451290453 566789804 /nfs/dbraw/zinc/78/98/04/566789804.db2.gz XPJVLAXWVGNGNQ-UHFFFAOYSA-N 0 1 383.945 3.291 20 30 GGEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000609959836 566798073 /nfs/dbraw/zinc/79/80/73/566798073.db2.gz VNPSTKNXXQRNLR-LLVKDONJSA-N 0 1 379.781 3.371 20 30 GGEDMN Cc1cc(C2CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)CC2)n[nH]1 ZINC000451385887 566809752 /nfs/dbraw/zinc/80/97/52/566809752.db2.gz UHHQXUATOUSVLP-UHFFFAOYSA-N 0 1 378.885 3.006 20 30 GGEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000562836087 566826848 /nfs/dbraw/zinc/82/68/48/566826848.db2.gz VTCQBTJAPIFYIP-UHFFFAOYSA-N 0 1 377.897 3.271 20 30 GGEDMN Cn1cc(C#N)c(=NC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)[nH]1 ZINC000610561907 566843446 /nfs/dbraw/zinc/84/34/46/566843446.db2.gz SOZJDHKEQBAALO-OAHLLOKOSA-N 0 1 388.269 3.139 20 30 GGEDMN CC(C)N(Cc1cc(Br)ccc1F)C(=O)N=c1[nH]n(C)cc1C#N ZINC000610562716 566843559 /nfs/dbraw/zinc/84/35/59/566843559.db2.gz CZFLMVFZFCWIMA-UHFFFAOYSA-N 0 1 394.248 3.058 20 30 GGEDMN C=CCOc1c(Br)cc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1OC ZINC000543412863 566878701 /nfs/dbraw/zinc/87/87/01/566878701.db2.gz RRGQOPVUPZZLJD-DZKIICNBSA-N 0 1 382.298 3.225 20 30 GGEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)[nH]1 ZINC000543398326 566879083 /nfs/dbraw/zinc/87/90/83/566879083.db2.gz JVPPMTOZIUYXMO-APWZRJJASA-N 0 1 399.292 3.363 20 30 GGEDMN C=CCOc1c(Br)cc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1OC ZINC000543412964 566879447 /nfs/dbraw/zinc/87/94/47/566879447.db2.gz RRGQOPVUPZZLJD-OFQRWUPVSA-N 0 1 382.298 3.225 20 30 GGEDMN C=CCOCCCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000470773407 566903031 /nfs/dbraw/zinc/90/30/31/566903031.db2.gz NYUQUQNPDXAENL-SFHVURJKSA-N 0 1 378.314 3.224 20 30 GGEDMN C[C@@H](NCCS(=O)(=O)c1cccc(Br)c1)c1cccc(C#N)c1 ZINC000611386747 566914071 /nfs/dbraw/zinc/91/40/71/566914071.db2.gz TYINILKGINNZET-CYBMUJFWSA-N 0 1 393.306 3.445 20 30 GGEDMN C[C@H](NCCS(=O)(=O)c1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000611389162 566914744 /nfs/dbraw/zinc/91/47/44/566914744.db2.gz XUWMDTCXOQQILV-ZDUSSCGKSA-N 0 1 393.306 3.445 20 30 GGEDMN C[C@H](NCCS(=O)(=O)c1cccc(Br)c1)c1cccc(C#N)c1 ZINC000611386748 566915022 /nfs/dbraw/zinc/91/50/22/566915022.db2.gz TYINILKGINNZET-ZDUSSCGKSA-N 0 1 393.306 3.445 20 30 GGEDMN COC(=O)c1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)ccc1Cl ZINC000611537956 566925520 /nfs/dbraw/zinc/92/55/20/566925520.db2.gz SSGSNHUSUABSAK-UHFFFAOYSA-N 0 1 385.228 3.452 20 30 GGEDMN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2c(C)cccc2SC)c1 ZINC000471964857 566990388 /nfs/dbraw/zinc/99/03/88/566990388.db2.gz BJQUKZJQZXCNFZ-UHFFFAOYSA-N 0 1 376.503 3.434 20 30 GGEDMN C=CCCNS(=O)(=O)c1scc(Br)c1Br ZINC000657077109 567011246 /nfs/dbraw/zinc/01/12/46/567011246.db2.gz LJENKPOILCVEDM-UHFFFAOYSA-N 0 1 375.107 3.128 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000564864006 567014568 /nfs/dbraw/zinc/01/45/68/567014568.db2.gz LGLZWQMXNJOPOO-MAUKXSAKSA-N 0 1 378.856 3.270 20 30 GGEDMN CCOC(=O)COc1c(Br)cc(C)cc1CNCC1(CC#N)CC1 ZINC000430760798 567034618 /nfs/dbraw/zinc/03/46/18/567034618.db2.gz SSTTWJABSGSUOC-UHFFFAOYSA-N 0 1 395.297 3.483 20 30 GGEDMN C=CCCn1cc(CNC[C@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000657327426 567047200 /nfs/dbraw/zinc/04/72/00/567047200.db2.gz VWMOSVVWPXLQNY-OAHLLOKOSA-N 0 1 390.329 3.233 20 30 GGEDMN C=CCCn1cc(CNC[C@@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000657327425 567047700 /nfs/dbraw/zinc/04/77/00/567047700.db2.gz VWMOSVVWPXLQNY-HNNXBMFYSA-N 0 1 390.329 3.233 20 30 GGEDMN CCOC(=O)[C@@H](C(=O)CSc1cccc(F)c1C#N)c1nc(C)cs1 ZINC000584540638 567052377 /nfs/dbraw/zinc/05/23/77/567052377.db2.gz GSBZWOZYXMKWHM-HNNXBMFYSA-N 0 1 378.450 3.470 20 30 GGEDMN CCOC(=O)C(C(=O)CSc1cccc(F)c1C#N)c1nc(C)cs1 ZINC000584540638 567052385 /nfs/dbraw/zinc/05/23/85/567052385.db2.gz GSBZWOZYXMKWHM-HNNXBMFYSA-N 0 1 378.450 3.470 20 30 GGEDMN CCOC(=O)C(=C(O)CSc1cccc(F)c1C#N)c1nc(C)cs1 ZINC000584540638 567052390 /nfs/dbraw/zinc/05/23/90/567052390.db2.gz GSBZWOZYXMKWHM-HNNXBMFYSA-N 0 1 378.450 3.470 20 30 GGEDMN Cc1c(C#N)cccc1NC(=O)c1ccc(I)c(O)c1 ZINC000545514833 567058687 /nfs/dbraw/zinc/05/86/87/567058687.db2.gz OVYMEZDXQRQQQN-UHFFFAOYSA-N 0 1 378.169 3.429 20 30 GGEDMN C=CCNC(=O)[C@@H](C)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000473461616 567081849 /nfs/dbraw/zinc/08/18/49/567081849.db2.gz MUVAFGGKORBDHZ-RDTXWAMCSA-N 0 1 388.309 3.408 20 30 GGEDMN C=CCC[C@@H](CO)N[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453380297 567083476 /nfs/dbraw/zinc/08/34/76/567083476.db2.gz ZHWMUCICTZXJRM-DOMZBBRYSA-N 0 1 379.302 3.316 20 30 GGEDMN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2ccc(C#N)c(F)c2)c1 ZINC000565687445 567090389 /nfs/dbraw/zinc/09/03/89/567090389.db2.gz JMZCNGQNDAEXKH-UHFFFAOYSA-N 0 1 398.257 3.327 20 30 GGEDMN N#Cc1cc(F)c(N2CCC[C@H](CN3CCOCC3)C2)cc1Br ZINC000566020184 567119882 /nfs/dbraw/zinc/11/98/82/567119882.db2.gz HAUDIUQXFLQNEA-CYBMUJFWSA-N 0 1 382.277 3.008 20 30 GGEDMN CC(C)(C#N)CCS(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000566307779 567147336 /nfs/dbraw/zinc/14/73/36/567147336.db2.gz FKNWHPLPERLEQE-ZDUSSCGKSA-N 0 1 386.901 3.437 20 30 GGEDMN CC(C)(C)[C@@H](O)CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000588963175 567147611 /nfs/dbraw/zinc/14/76/11/567147611.db2.gz HPOBRCFNGSDZRX-IRXDYDNUSA-N 0 1 380.330 3.038 20 30 GGEDMN N#Cc1ccc(CN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1Cl ZINC000589344187 567177112 /nfs/dbraw/zinc/17/71/12/567177112.db2.gz HSIAPPYSPFIJAI-GOSISDBHSA-N 0 1 375.881 3.026 20 30 GGEDMN C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H](c1ccccc1)N(C)C ZINC000474576350 567179902 /nfs/dbraw/zinc/17/99/02/567179902.db2.gz LWTYNGASYGQOET-ACJLOTCBSA-N 0 1 377.897 3.181 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1Br ZINC000432767840 567186908 /nfs/dbraw/zinc/18/69/08/567186908.db2.gz 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CN1CCC(C#N)(NC(=O)Cc2csc3ccc(Br)cc23)CC1 ZINC000527068808 567311141 /nfs/dbraw/zinc/31/11/41/567311141.db2.gz IQCTVNRNLLXGHQ-UHFFFAOYSA-N 0 1 392.322 3.310 20 30 GGEDMN N#C[C@H]1N(C(=O)c2cccc(Br)c2O)CCC[C@]12CCCCO2 ZINC000548400726 567314345 /nfs/dbraw/zinc/31/43/45/567314345.db2.gz FESODLGAIZKERP-RHSMWYFYSA-N 0 1 379.254 3.222 20 30 GGEDMN N#C[C@@H]1N(C(=O)c2cccc(Br)c2O)CCC[C@@]12CCCCO2 ZINC000548400728 567314352 /nfs/dbraw/zinc/31/43/52/567314352.db2.gz FESODLGAIZKERP-YOEHRIQHSA-N 0 1 379.254 3.222 20 30 GGEDMN N#CC1(NC(=O)CN[C@H](c2cc(F)cc(Br)c2)C2CC2)CCC1 ZINC000527377110 567334873 /nfs/dbraw/zinc/33/48/73/567334873.db2.gz LMMNSQXSQWCXHY-INIZCTEOSA-N 0 1 380.261 3.191 20 30 GGEDMN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1noc2c1COCC2 ZINC000527593011 567344508 /nfs/dbraw/zinc/34/45/08/567344508.db2.gz SBRJIGHPILXHGR-VIFPVBQESA-N 0 1 380.187 3.015 20 30 GGEDMN N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1noc2c1COCC2 ZINC000527593011 567344510 /nfs/dbraw/zinc/34/45/10/567344510.db2.gz SBRJIGHPILXHGR-VIFPVBQESA-N 0 1 380.187 3.015 20 30 GGEDMN N#Cc1c(Br)cccc1N1CCC(CCN2CCOCC2)CC1 ZINC000568811666 567358320 /nfs/dbraw/zinc/35/83/20/567358320.db2.gz MNUICUMUGAWLKZ-UHFFFAOYSA-N 0 1 378.314 3.259 20 30 GGEDMN C[C@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1ccc(C#N)cc1 ZINC000548937092 567361579 /nfs/dbraw/zinc/36/15/79/567361579.db2.gz USQUGRWZRLQULB-LBPRGKRZSA-N 0 1 383.249 3.179 20 30 GGEDMN C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000435603899 567378130 /nfs/dbraw/zinc/37/81/30/567378130.db2.gz MDKUBUJCBRNUAZ-TVQRCGJNSA-N 0 1 395.264 3.161 20 30 GGEDMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435720484 567386053 /nfs/dbraw/zinc/38/60/53/567386053.db2.gz BUHCATUSYMZTDE-UHFFFAOYSA-N 0 1 380.853 3.346 20 30 GGEDMN COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000436001779 567400532 /nfs/dbraw/zinc/40/05/32/567400532.db2.gz HAGGKXLRUQYFCG-UHFFFAOYSA-N 0 1 381.251 3.439 20 30 GGEDMN N#Cc1cccc(CN2CCC(NC(=O)c3ccncc3Br)CC2)c1 ZINC000593355439 567408667 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Cc1cc([C@@H]2CCCN2C(=O)N=c2[nH]n(C)cc2C#N)ccc1Br ZINC000619536922 567463199 /nfs/dbraw/zinc/46/31/99/567463199.db2.gz GJDVLPHIMXAOMD-HNNXBMFYSA-N 0 1 388.269 3.154 20 30 GGEDMN CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000437007421 567475063 /nfs/dbraw/zinc/47/50/63/567475063.db2.gz XUCHBQRBXQYHGX-UHFFFAOYSA-N 0 1 395.234 3.030 20 30 GGEDMN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000619755390 567480440 /nfs/dbraw/zinc/48/04/40/567480440.db2.gz HHLSBMLRABSPLO-CYBMUJFWSA-N 0 1 377.897 3.313 20 30 GGEDMN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(c2ccc(Br)cc2)CC1 ZINC000503384530 567481425 /nfs/dbraw/zinc/48/14/25/567481425.db2.gz OPRQLGCSQJGUPR-CYBMUJFWSA-N 0 1 394.313 3.029 20 30 GGEDMN COC(=O)[C@@H](NS(=O)(=O)c1ccccc1C#N)c1ccc(Cl)cc1Cl ZINC000570401800 567482031 /nfs/dbraw/zinc/48/20/31/567482031.db2.gz ZCKJDJOPIOPUHY-HNNXBMFYSA-N 0 1 399.255 3.058 20 30 GGEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC(c2ccc(Br)cc2)CC1 ZINC000503385600 567483479 /nfs/dbraw/zinc/48/34/79/567483479.db2.gz RNUHBWQPOUSGKY-CQSZACIVSA-N 0 1 378.314 3.389 20 30 GGEDMN N#Cc1ccc(NC(=O)CN[C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000551412761 567504635 /nfs/dbraw/zinc/50/46/35/567504635.db2.gz BXSOTEFEYXTJPD-GOSISDBHSA-N 0 1 385.265 3.395 20 30 GGEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000551716230 567531807 /nfs/dbraw/zinc/53/18/07/567531807.db2.gz QMLZOERTPVVPDD-DYVFJYSZSA-N 0 1 378.314 3.474 20 30 GGEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CS3)c1 ZINC000479484161 567539633 /nfs/dbraw/zinc/53/96/33/567539633.db2.gz QLRIHRBVHZFOIM-UHFFFAOYSA-N 0 1 379.850 3.057 20 30 GGEDMN COc1ccc(C#N)cc1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438765573 567543926 /nfs/dbraw/zinc/54/39/26/567543926.db2.gz TYAXBAINOYKTSC-UHFFFAOYSA-N 0 1 385.214 3.269 20 30 GGEDMN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1csc(C(=O)OC)c1 ZINC000438759724 567543939 /nfs/dbraw/zinc/54/39/39/567543939.db2.gz ZNDBGDHBOYEDEN-UHFFFAOYSA-N 0 1 379.463 3.029 20 30 GGEDMN N#CCc1ccc(OC[C@H](O)CNCc2ccc(F)cc2Br)cc1 ZINC000552034390 567551885 /nfs/dbraw/zinc/55/18/85/567551885.db2.gz SLNJCAXGAWRNKX-MRXNPFEDSA-N 0 1 393.256 3.184 20 30 GGEDMN Cc1ccnc2[nH]c(C(C#N)=C([O-])c3cn4ccc(Br)cc4[nH+]3)nc21 ZINC000552073016 567554531 /nfs/dbraw/zinc/55/45/31/567554531.db2.gz KITWMNAOKVTGRY-NSHDSACASA-N 0 1 395.220 3.167 20 30 GGEDMN CN(CCOCc1ccc(C#N)cc1)C(=O)c1cccc(Br)c1O ZINC000571392172 567559403 /nfs/dbraw/zinc/55/94/03/567559403.db2.gz WNGNTQIFUJRFEX-UHFFFAOYSA-N 0 1 389.249 3.315 20 30 GGEDMN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458722191 567568804 /nfs/dbraw/zinc/56/88/04/567568804.db2.gz DBHAPEVBBMJDNM-MEDUHNTESA-N 0 1 393.285 3.106 20 30 GGEDMN N#CC1CCC(CNC(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000458735033 567570106 /nfs/dbraw/zinc/57/01/06/567570106.db2.gz NULKICMUJAXKOF-UHFFFAOYSA-N 0 1 390.285 3.455 20 30 GGEDMN CC(C)(CCC#N)CNC(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000458778855 567573958 /nfs/dbraw/zinc/57/39/58/567573958.db2.gz 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N#Cc1cc(Br)ccc1CNC1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000459764050 567658065 /nfs/dbraw/zinc/65/80/65/567658065.db2.gz BGPVNOOINOOWLU-UHFFFAOYSA-N 0 1 388.309 3.091 20 30 GGEDMN Cc1cc(I)cc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000553571186 567667099 /nfs/dbraw/zinc/66/70/99/567667099.db2.gz OCBDUWCIVLNBIX-UHFFFAOYSA-N 0 1 378.169 3.429 20 30 GGEDMN COC(=O)c1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c(Br)c1 ZINC000572826917 567668836 /nfs/dbraw/zinc/66/88/36/567668836.db2.gz JHCRKLCBEMHHON-RMKNXTFCSA-N 0 1 388.221 3.060 20 30 GGEDMN Cc1cccc(CNC[C@H](O)COc2ccc(CC#N)cc2)c1Br ZINC000572870352 567670695 /nfs/dbraw/zinc/67/06/95/567670695.db2.gz MMYWNYXKSWRYFP-KRWDZBQOSA-N 0 1 389.293 3.353 20 30 GGEDMN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cncc(Br)c1 ZINC000572900541 567674449 /nfs/dbraw/zinc/67/44/49/567674449.db2.gz INPCQYHKCMABKY-ACJLOTCBSA-N 0 1 399.292 3.167 20 30 GGEDMN N#Cc1cc(NS(=O)(=O)c2cncc(Cl)c2)ccc1OC(F)(F)F ZINC000442223543 567685801 /nfs/dbraw/zinc/68/58/01/567685801.db2.gz 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XHNASAAYKWSGLN-MRXNPFEDSA-N 0 1 375.222 3.245 20 30 GGEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000833074167 601312183 /nfs/dbraw/zinc/31/21/83/601312183.db2.gz QKFFQLMRPCOWHF-MAUKXSAKSA-N 0 1 398.850 3.083 20 30 GGEDMN C[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830811171 601320219 /nfs/dbraw/zinc/32/02/19/601320219.db2.gz QLPUTSRDIOMGIV-QGZVFWFLSA-N 0 1 390.342 3.146 20 30 GGEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000833073894 601322287 /nfs/dbraw/zinc/32/22/87/601322287.db2.gz JOXRKNANVUSBRH-XJKSGUPXSA-N 0 1 378.354 3.305 20 30 GGEDMN COc1cc(C[N@@H+]2CC[C@@](F)(C(=O)[O-])C2)ccc1OCc1cccc(C#N)c1 ZINC000831995371 601551060 /nfs/dbraw/zinc/55/10/60/601551060.db2.gz JMURFVDSLNWEEZ-NRFANRHFSA-N 0 1 384.407 3.144 20 30 GGEDMN COc1cc(C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)ccc1OCc1cccc(C#N)c1 ZINC000831995371 601551062 /nfs/dbraw/zinc/55/10/62/601551062.db2.gz JMURFVDSLNWEEZ-NRFANRHFSA-N 0 1 384.407 3.144 20 30 GGEDMN C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cc1 ZINC000830660913 601856769 /nfs/dbraw/zinc/85/67/69/601856769.db2.gz IYYJKSFBOMLBTN-UHFFFAOYSA-N 0 1 385.851 3.417 20 30 GGEDMN C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cc1 ZINC000830660913 601856771 /nfs/dbraw/zinc/85/67/71/601856771.db2.gz IYYJKSFBOMLBTN-UHFFFAOYSA-N 0 1 385.851 3.417 20 30 GGEDMN Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1C ZINC000832935897 601857445 /nfs/dbraw/zinc/85/74/45/601857445.db2.gz SMJKVUXASQGKNY-IHPCNDPISA-N 0 1 383.492 3.268 20 30 GGEDMN C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727397 601901367 /nfs/dbraw/zinc/90/13/67/601901367.db2.gz RRBRWYQMGPMWGY-OAHLLOKOSA-N 0 1 397.378 3.123 20 30 GGEDMN COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000831860797 601901393 /nfs/dbraw/zinc/90/13/93/601901393.db2.gz CLZPZSMTWUBKFH-GOSISDBHSA-N 0 1 394.349 3.121 20 30 GGEDMN 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C#CCN(Cc1ccc(F)cc1)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000062488938 1408268317 /nfs/dbraw/zinc/26/83/17/1408268317.db2.gz CUUMFKBUVGKSIM-UHFFFAOYSA-N 0 1 380.467 3.030 20 30 GGEDMN N#Cc1ccc(O)c(NC(=O)CCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000176407531 1428305920 /nfs/dbraw/zinc/30/59/20/1428305920.db2.gz BTSJCSYUWXMVLZ-UHFFFAOYSA-N 0 1 394.456 3.012 20 30 GGEDMN N#Cc1ccc(CN2CCC(N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000063349834 1408342493 /nfs/dbraw/zinc/34/24/93/1408342493.db2.gz QPCBHGVJCOXYGR-UHFFFAOYSA-N 0 1 394.391 3.439 20 30 GGEDMN COCCN(Cc1ccc(C#N)cc1)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000063754297 1408401072 /nfs/dbraw/zinc/40/10/72/1408401072.db2.gz ULWHDBGSDGRAMB-UHFFFAOYSA-N 0 1 378.428 3.327 20 30 GGEDMN COc1ccc(CCNC(=O)CN(Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000063751034 1408401970 /nfs/dbraw/zinc/40/19/70/1408401970.db2.gz GMBJNYWGHPILMC-UHFFFAOYSA-N 0 1 395.503 3.145 20 30 GGEDMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2OC(C)C)cc1 ZINC000064477013 1408563194 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30 GGEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000124010252 1414868613 /nfs/dbraw/zinc/86/86/13/1414868613.db2.gz LVOCRXDHNNBVNO-KRWDZBQOSA-N 0 1 380.467 3.232 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000124025950 1414871976 /nfs/dbraw/zinc/87/19/76/1414871976.db2.gz UUTILZKOARMHGC-OAHLLOKOSA-N 0 1 397.472 3.013 20 30 GGEDMN CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)[n-]c(=S)n(C)c3=O)n1 ZINC000177742975 1428847844 /nfs/dbraw/zinc/84/78/44/1428847844.db2.gz BOBWXVJPOGUNSJ-GFCCVEGCSA-N 0 1 384.486 3.292 20 30 GGEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)CCCn2ccnc2)c1C#N ZINC000124284349 1414929195 /nfs/dbraw/zinc/92/91/95/1414929195.db2.gz WHEWEYFWXDLHMP-UHFFFAOYSA-N 0 1 390.491 3.123 20 30 GGEDMN CC(C)c1csc(C(C#N)C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)n1 ZINC000177746974 1428848925 /nfs/dbraw/zinc/84/89/25/1428848925.db2.gz PABOCIVFIHYSFG-INIZCTEOSA-N 0 1 399.520 3.402 20 30 GGEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000177747775 1428849022 /nfs/dbraw/zinc/84/90/22/1428849022.db2.gz WWPBGLIEINSSRR-LBPRGKRZSA-N 0 1 382.405 3.245 20 30 GGEDMN Cc1ccc(-c2n[nH]c(SCC(=O)N(C)Cc3cccc(C#N)c3)n2)cc1 ZINC000124592000 1415001708 /nfs/dbraw/zinc/00/17/08/1415001708.db2.gz OEVZOPYKESSELZ-UHFFFAOYSA-N 0 1 377.473 3.403 20 30 GGEDMN COc1cc(OCC(=O)C(C#N)c2nc(C(C)C)cs2)ccc1[N+](=O)[O-] ZINC000177778546 1428856473 /nfs/dbraw/zinc/85/64/73/1428856473.db2.gz BYMHVECCIXVXQC-GFCCVEGCSA-N 0 1 375.406 3.439 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@@H](c2nccs2)c2ccccc2)c(F)c1 ZINC000125122927 1415113699 /nfs/dbraw/zinc/11/36/99/1415113699.db2.gz KGZDMDZPLXUDHL-OAHLLOKOSA-N 0 1 391.424 3.361 20 30 GGEDMN CC(C)(C#N)c1ccc(NC(=O)c2cc(F)ccc2NS(C)(=O)=O)cc1 ZINC000125192356 1415127448 /nfs/dbraw/zinc/12/74/48/1415127448.db2.gz GQJKFSSRWWHFPJ-UHFFFAOYSA-N 0 1 375.425 3.251 20 30 GGEDMN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000125209016 1415130964 /nfs/dbraw/zinc/13/09/64/1415130964.db2.gz AZYWZHJNYYWENR-CMPLNLGQSA-N 0 1 389.304 3.336 20 30 GGEDMN C=CCOc1cc(OC)ccc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000125226651 1415134118 /nfs/dbraw/zinc/13/41/18/1415134118.db2.gz LQTONRBYVJRUOM-UHFFFAOYSA-N 0 1 381.476 3.049 20 30 GGEDMN N#Cc1ccccc1OCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)o1 ZINC000125271707 1415148314 /nfs/dbraw/zinc/14/83/14/1415148314.db2.gz ZLAWYBBVMMNLCX-MRXNPFEDSA-N 0 1 386.367 3.086 20 30 GGEDMN N#Cc1ccccc1OCc1ccc(C(=O)C(C#N)C(=O)Nc2ccccn2)o1 ZINC000125271707 1415148322 /nfs/dbraw/zinc/14/83/22/1415148322.db2.gz ZLAWYBBVMMNLCX-MRXNPFEDSA-N 0 1 386.367 3.086 20 30 GGEDMN N#CCc1ccc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000125286521 1415152799 /nfs/dbraw/zinc/15/27/99/1415152799.db2.gz HJSGIVCCXSWGSB-UHFFFAOYSA-N 0 1 377.492 3.086 20 30 GGEDMN CCC[C@H](C)NC(=O)[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000125293735 1415155819 /nfs/dbraw/zinc/15/58/19/1415155819.db2.gz NMGIOLKZCHVDOR-UFYCRDLUSA-N 0 1 398.551 3.339 20 30 GGEDMN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000125480693 1415211259 /nfs/dbraw/zinc/21/12/59/1415211259.db2.gz QEAXDYIRZSXNRC-UHFFFAOYSA-N 0 1 388.475 3.034 20 30 GGEDMN C[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1cc(F)ccc1N1CCN(C)CC1 ZINC000177899410 1428887102 /nfs/dbraw/zinc/88/71/02/1428887102.db2.gz BCIYWQJSYQEAGS-AWEZNQCLSA-N 0 1 399.445 3.471 20 30 GGEDMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)CCN1Cc1ccccc1 ZINC000125827442 1415291442 /nfs/dbraw/zinc/29/14/42/1415291442.db2.gz JOVWZYGPCMMKKA-KXBFYZLASA-N 0 1 387.480 3.029 20 30 GGEDMN N#Cc1ccc(F)cc1CSc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N ZINC000125841059 1415294510 /nfs/dbraw/zinc/29/45/10/1415294510.db2.gz YCOVYYDTTLLNPU-UHFFFAOYSA-N 0 1 391.435 3.352 20 30 GGEDMN COCc1ccccc1CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000125944440 1415319066 /nfs/dbraw/zinc/31/90/66/1415319066.db2.gz DBIHJTFQTYAZPE-UHFFFAOYSA-N 0 1 392.503 3.122 20 30 GGEDMN COc1ccc(CCNC(=O)C(C#N)C(=O)CC2(C)CCCCC2)cc1OC ZINC000126112325 1415360748 /nfs/dbraw/zinc/36/07/48/1415360748.db2.gz PRTWDPVXMHKDPS-QGZVFWFLSA-N 0 1 386.492 3.432 20 30 GGEDMN N#CC(C(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)Nc1ccccn1 ZINC000126313125 1415414994 /nfs/dbraw/zinc/41/49/94/1415414994.db2.gz VVDJJOZYIMYUBU-INIZCTEOSA-N 0 1 394.431 3.158 20 30 GGEDMN Cc1ccc(-c2nc(CC(=O)C(C#N)C(=O)Nc3ccccn3)cs2)cc1 ZINC000126361545 1415426692 /nfs/dbraw/zinc/42/66/92/1415426692.db2.gz PFJZECBRFFMLHS-INIZCTEOSA-N 0 1 376.441 3.404 20 30 GGEDMN Cc1ccc(-c2nc(CC(=O)C(C#N)C(=O)Nc3ccccn3)cs2)cc1 ZINC000126361317 1415426927 /nfs/dbraw/zinc/42/69/27/1415426927.db2.gz PFJZECBRFFMLHS-MRXNPFEDSA-N 0 1 376.441 3.404 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)NC[C@H](O)c2cc3ccccc3s2)c(F)c1 ZINC000126421208 1415447727 /nfs/dbraw/zinc/44/77/27/1415447727.db2.gz JWMVYCYQMHEJLH-AWEZNQCLSA-N 0 1 394.424 3.063 20 30 GGEDMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2sccc2C#N)CC1 ZINC000126439223 1415453650 /nfs/dbraw/zinc/45/36/50/1415453650.db2.gz TVOGNLZZTRINOA-AWEZNQCLSA-N 0 1 386.496 3.392 20 30 GGEDMN Cc1ccc(Cl)c(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000126526408 1415477882 /nfs/dbraw/zinc/47/78/82/1415477882.db2.gz VVBAIZDESIPEOB-UHFFFAOYSA-N 0 1 391.924 3.273 20 30 GGEDMN N#Cc1ccc(CN2CCCN(C(=O)/C=C/c3ccc(Cl)nc3)CC2)cc1 ZINC000126635606 1415512748 /nfs/dbraw/zinc/51/27/48/1415512748.db2.gz KHWMJDOGUAKDCI-VQHVLOKHSA-N 0 1 380.879 3.354 20 30 GGEDMN N#Cc1ccc(NC(=O)CCN2CCN(c3cccc(O)c3)CC2)cc1Cl ZINC000126644578 1415515441 /nfs/dbraw/zinc/51/54/41/1415515441.db2.gz RBNVDHQITZITNE-UHFFFAOYSA-N 0 1 384.867 3.068 20 30 GGEDMN CCN(C[C@H](C)C#N)C(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000127147975 1415672532 /nfs/dbraw/zinc/67/25/32/1415672532.db2.gz WUXUGGQVEFQJKB-LLVKDONJSA-N 0 1 393.900 3.234 20 30 GGEDMN C=CCN(CC(=O)OCC)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000127176157 1415679138 /nfs/dbraw/zinc/67/91/38/1415679138.db2.gz KGLRATHYGOYWRV-UHFFFAOYSA-N 0 1 392.253 3.031 20 30 GGEDMN N#Cc1ccc([C@@H](O)C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000127268346 1415709665 /nfs/dbraw/zinc/70/96/65/1415709665.db2.gz CXCCJWZVNMIINW-FQEVSTJZSA-N 0 1 383.879 3.093 20 30 GGEDMN N#Cc1ccc([C@@H](O)CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000127268346 1415709675 /nfs/dbraw/zinc/70/96/75/1415709675.db2.gz CXCCJWZVNMIINW-FQEVSTJZSA-N 0 1 383.879 3.093 20 30 GGEDMN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178105899 1428983911 /nfs/dbraw/zinc/98/39/11/1428983911.db2.gz CGPGSDNWZAUXLS-OAHLLOKOSA-N 0 1 398.425 3.065 20 30 GGEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000127528047 1415805232 /nfs/dbraw/zinc/80/52/32/1415805232.db2.gz LZCCTGSHSBSDPR-YDPBGYANSA-N 0 1 394.519 3.392 20 30 GGEDMN C#CCN(Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC000127532192 1415805668 /nfs/dbraw/zinc/80/56/68/1415805668.db2.gz VNKPNJZIEPESOT-LJQANCHMSA-N 0 1 398.890 3.335 20 30 GGEDMN N#CC(C(=O)Nc1ccccn1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127687356 1415832877 /nfs/dbraw/zinc/83/28/77/1415832877.db2.gz HRJMPZJWRNYYEA-CYBMUJFWSA-N 0 1 393.384 3.074 20 30 GGEDMN CC[C@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1ccc(C#N)cc1 ZINC000128177074 1415932061 /nfs/dbraw/zinc/93/20/61/1415932061.db2.gz VROGYODPEURIKW-YWZLYKJASA-N 0 1 376.460 3.129 20 30 GGEDMN Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000128225168 1415943866 /nfs/dbraw/zinc/94/38/66/1415943866.db2.gz ZSKPRXQSIFBMJO-MRXNPFEDSA-N 0 1 395.507 3.012 20 30 GGEDMN Cn1ccnc1SCc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000128232347 1415945151 /nfs/dbraw/zinc/94/51/51/1415945151.db2.gz AMONFTSANQSEMS-HNNXBMFYSA-N 0 1 380.429 3.267 20 30 GGEDMN N#Cc1cccc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000178223321 1429022031 /nfs/dbraw/zinc/02/20/31/1429022031.db2.gz VHXXYRDTGWVUIV-UHFFFAOYSA-N 0 1 382.195 3.030 20 30 GGEDMN C=CCn1c(CCN2CCCCC2)nn(CN(C)Cc2cccn2C)c1=S ZINC000128361088 1415970712 /nfs/dbraw/zinc/97/07/12/1415970712.db2.gz UTVGPUCPJYWVAP-UHFFFAOYSA-N 0 1 388.585 3.056 20 30 GGEDMN CCOc1ccc([C@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)cc1OC ZINC000128455148 1415991199 /nfs/dbraw/zinc/99/11/99/1415991199.db2.gz SZZBVMROGJCQMY-HNNXBMFYSA-N 0 1 388.489 3.090 20 30 GGEDMN CC(C)C(N)=NOCc1coc(-c2ccc(I)cc2)n1 ZINC000128508711 1416002199 /nfs/dbraw/zinc/00/21/99/1416002199.db2.gz MPXAUBQWSGDIDO-UHFFFAOYSA-N 0 1 385.205 3.391 20 30 GGEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129368776 1416197777 /nfs/dbraw/zinc/19/77/77/1416197777.db2.gz QCTAKSBTELBYMQ-HBFSDRIKSA-N 0 1 395.507 3.110 20 30 GGEDMN C[C@](NCCCOc1cccc(C#N)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000129497189 1416218870 /nfs/dbraw/zinc/21/88/70/1416218870.db2.gz ZKUCGKIZJYCXMU-LJQANCHMSA-N 0 1 391.393 3.336 20 30 GGEDMN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000129515571 1416221599 /nfs/dbraw/zinc/22/15/99/1416221599.db2.gz WAJDIJYGRPKAQG-IRFCIJBXSA-N 0 1 379.508 3.410 20 30 GGEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129838554 1416271778 /nfs/dbraw/zinc/27/17/78/1416271778.db2.gz GCBUXJRTBRAZSN-CJNGLKHVSA-N 0 1 395.429 3.316 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c([N+](=O)[O-])c1 ZINC000130407455 1416372956 /nfs/dbraw/zinc/37/29/56/1416372956.db2.gz AQGFZDHAGQUHQA-UHFFFAOYSA-N 0 1 389.286 3.425 20 30 GGEDMN Cc1cc(SCC(=O)C(C#N)C(=O)NC(C)C)c(C)cc1Br ZINC000130506392 1416390498 /nfs/dbraw/zinc/39/04/98/1416390498.db2.gz XWGGRUQQAXQCMP-LBPRGKRZSA-N 0 1 383.311 3.392 20 30 GGEDMN Cc1cc(SCC(=O)C(C#N)C(=O)NC(C)C)c(C)cc1Br ZINC000130506167 1416390665 /nfs/dbraw/zinc/39/06/65/1416390665.db2.gz XWGGRUQQAXQCMP-GFCCVEGCSA-N 0 1 383.311 3.392 20 30 GGEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1csc(-c2ccccn2)n1 ZINC000131224100 1416526205 /nfs/dbraw/zinc/52/62/05/1416526205.db2.gz WQIVKCRWWBQIRC-GFCCVEGCSA-N 0 1 378.413 3.175 20 30 GGEDMN C=CCOc1cccc(NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000131305360 1416537847 /nfs/dbraw/zinc/53/78/47/1416537847.db2.gz ODOFYPSVYBXXIK-WOJBJXKFSA-N 0 1 381.476 3.008 20 30 GGEDMN Cc1c(C#N)cccc1NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000178563787 1429107631 /nfs/dbraw/zinc/10/76/31/1429107631.db2.gz BUMGSJUPHIDEJM-UHFFFAOYSA-N 0 1 377.492 3.201 20 30 GGEDMN CC(C)Oc1cc(CN(C[C@H](O)COc2ccc(C#N)cc2)C2CC2)ccn1 ZINC000131656086 1416591640 /nfs/dbraw/zinc/59/16/40/1416591640.db2.gz SYNRIQIPSSLDSW-FQEVSTJZSA-N 0 1 381.476 3.145 20 30 GGEDMN CCC(CC)[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)N1CCOCC1 ZINC000131663067 1416592758 /nfs/dbraw/zinc/59/27/58/1416592758.db2.gz OFLCKDQETQHGSB-NHCUHLMSSA-N 0 1 386.540 3.468 20 30 GGEDMN CCC(CC)[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)N1CCOCC1 ZINC000131662867 1416592851 /nfs/dbraw/zinc/59/28/51/1416592851.db2.gz OFLCKDQETQHGSB-SFTDATJTSA-N 0 1 386.540 3.468 20 30 GGEDMN CCC(CC)[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)N1CCOCC1 ZINC000131662644 1416592863 /nfs/dbraw/zinc/59/28/63/1416592863.db2.gz OFLCKDQETQHGSB-LEWJYISDSA-N 0 1 386.540 3.468 20 30 GGEDMN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000131786794 1416620665 /nfs/dbraw/zinc/62/06/65/1416620665.db2.gz JIQHPZXQWIKPIS-MRXNPFEDSA-N 0 1 378.363 3.186 20 30 GGEDMN CC(C)N(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000178593160 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GGEDMN CN(C)[C@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1cccc(F)c1 ZINC000133607262 1416917755 /nfs/dbraw/zinc/91/77/55/1416917755.db2.gz ZFWBVYMKPUMKCW-HXUWFJFHSA-N 0 1 396.466 3.225 20 30 GGEDMN N#Cc1c(NC(=O)CCN2CCc3ccccc3[C@@H]2CO)sc2c1CCCC2 ZINC000133880649 1416987060 /nfs/dbraw/zinc/98/70/60/1416987060.db2.gz PDYQYLJYGWNGDW-IBGZPJMESA-N 0 1 395.528 3.419 20 30 GGEDMN CCN(CCC#N)C(=O)CN(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000134171852 1417032971 /nfs/dbraw/zinc/03/29/71/1417032971.db2.gz BBYHMXGXUWQARA-DEOSSOPVSA-N 0 1 391.515 3.085 20 30 GGEDMN N#Cc1ccc(C(=O)N2CCC(CCCN3CCOCC3)CC2)cc1Cl ZINC000134178982 1417034363 /nfs/dbraw/zinc/03/43/63/1417034363.db2.gz DRKWPIRCUANVAQ-UHFFFAOYSA-N 0 1 375.900 3.176 20 30 GGEDMN COC(=O)CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCC1 ZINC000134246810 1417043735 /nfs/dbraw/zinc/04/37/35/1417043735.db2.gz WUVGMZOOLSKNNI-UHFFFAOYSA-N 0 1 389.521 3.245 20 30 GGEDMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)[C@@H](CO)C(C)(C)C)c1C#N ZINC000134382225 1417062621 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COc1cccc(OCCN2CCN(CCCOc3ccc(C#N)cc3)CC2)c1 ZINC000178781041 1429168464 /nfs/dbraw/zinc/16/84/64/1429168464.db2.gz PGUXFWJMZNESCO-UHFFFAOYSA-N 0 1 395.503 3.032 20 30 GGEDMN N#CCOc1ccc(/C=C/C(=O)Nc2ccccc2CN2CCC(O)CC2)cc1 ZINC000135612614 1417246715 /nfs/dbraw/zinc/24/67/15/1417246715.db2.gz DTAXWLPPCSNSBG-JXMROGBWSA-N 0 1 391.471 3.198 20 30 GGEDMN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc(-c3ccccc3)n[nH]2)C1=O ZINC000136009858 1417285904 /nfs/dbraw/zinc/28/59/04/1417285904.db2.gz RUCLUALANBUICX-OAQYLSRUSA-N 0 1 397.479 3.393 20 30 GGEDMN C=CCNc1ncc(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)s1 ZINC000136048091 1417288396 /nfs/dbraw/zinc/28/83/96/1417288396.db2.gz RLJVUUGWEYHPLS-QGZVFWFLSA-N 0 1 386.521 3.317 20 30 GGEDMN CN1CC[C@H](CNC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136473760 1417320082 /nfs/dbraw/zinc/32/00/82/1417320082.db2.gz MZPOSDFTDKSBSH-QAPCUYQASA-N 0 1 378.879 3.417 20 30 GGEDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000178805363 1429175713 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Cc1cccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)c1C#N ZINC000137394330 1417383014 /nfs/dbraw/zinc/38/30/14/1417383014.db2.gz FTOIWUFZDWDKHE-UHFFFAOYSA-N 0 1 392.440 3.315 20 30 GGEDMN Cc1c(CN2CCSCC2)cccc1NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000137478816 1417387840 /nfs/dbraw/zinc/38/78/40/1417387840.db2.gz AGASJJWANKZQRV-UHFFFAOYSA-N 0 1 394.496 3.263 20 30 GGEDMN CC(=O)N(Cc1ccc(NS(=O)(=O)c2cccc(C)c2C#N)cc1)C(C)C ZINC000137509287 1417389522 /nfs/dbraw/zinc/38/95/22/1417389522.db2.gz BVKYLIRHGOOHLS-UHFFFAOYSA-N 0 1 385.489 3.424 20 30 GGEDMN Cc1c(CN2CCSCC2)cccc1NC(=O)COc1cccc(C#N)c1 ZINC000138918851 1417441618 /nfs/dbraw/zinc/44/16/18/1417441618.db2.gz ZCVXARVKOJPMIU-UHFFFAOYSA-N 0 1 381.501 3.433 20 30 GGEDMN COc1ccc([C@H](CNC(=O)c2c(F)cc(C#N)cc2F)N2CCCC2)cc1 ZINC000151029736 1417858464 /nfs/dbraw/zinc/85/84/64/1417858464.db2.gz OFLAWRNJYHURSF-IBGZPJMESA-N 0 1 385.414 3.412 20 30 GGEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000151096820 1417871537 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GGEDMN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1 ZINC000152057758 1418132933 /nfs/dbraw/zinc/13/29/33/1418132933.db2.gz YLMHGJAPBSAKGA-HXUWFJFHSA-N 0 1 389.434 3.238 20 30 GGEDMN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152126779 1418151408 /nfs/dbraw/zinc/15/14/08/1418151408.db2.gz KEUFUZNWSHSLLM-AWEZNQCLSA-N 0 1 384.871 3.025 20 30 GGEDMN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000152126779 1418151410 /nfs/dbraw/zinc/15/14/10/1418151410.db2.gz KEUFUZNWSHSLLM-AWEZNQCLSA-N 0 1 384.871 3.025 20 30 GGEDMN CN(CCC#N)C(=O)CCN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000179197448 1429292213 /nfs/dbraw/zinc/29/22/13/1429292213.db2.gz WBZASMSKUODCLU-MRXNPFEDSA-N 0 1 397.306 3.158 20 30 GGEDMN C=CCc1cc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc(OC)c1OC ZINC000179340152 1429334648 /nfs/dbraw/zinc/33/46/48/1429334648.db2.gz DQINECVHQJSRDY-INIZCTEOSA-N 0 1 396.491 3.448 20 30 GGEDMN C=CCc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc(OC)c1OC 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C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccc(F)c(C#N)c1 ZINC000186305102 1431377020 /nfs/dbraw/zinc/37/70/20/1431377020.db2.gz JBUHIASTASRMDE-HNNXBMFYSA-N 0 1 387.480 3.430 20 30 GGEDMN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000186919045 1431565592 /nfs/dbraw/zinc/56/55/92/1431565592.db2.gz GBNQPLRVZMFIBV-UHFFFAOYSA-N 0 1 391.880 3.494 20 30 GGEDMN Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)ccc1C(=O)NC(C)C ZINC000186989532 1431584408 /nfs/dbraw/zinc/58/44/08/1431584408.db2.gz YHXZGAHFXWLEAA-UHFFFAOYSA-N 0 1 391.880 3.459 20 30 GGEDMN CCc1cc(=O)c2cc(NS(=O)(=O)c3cc(C#N)ccc3Cl)ccc2[nH]1 ZINC000187042933 1431598217 /nfs/dbraw/zinc/59/82/17/1431598217.db2.gz KFTHDEJDEAHILZ-UHFFFAOYSA-N 0 1 387.848 3.416 20 30 GGEDMN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1C#N ZINC000187075800 1431607130 /nfs/dbraw/zinc/60/71/30/1431607130.db2.gz AMPHCXKFZCEJLD-UHFFFAOYSA-N 0 1 395.484 3.357 20 30 GGEDMN C[C@H](NC(=O)c1cccc(F)c1C#N)c1cc(F)ccc1N1CCN(C)CC1 ZINC000187437162 1431730006 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O=C(C#Cc1ccc(C(F)(F)F)cc1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000188522319 1431891657 /nfs/dbraw/zinc/89/16/57/1431891657.db2.gz SPQWYUIZZXBOCR-UHFFFAOYSA-N 0 1 375.325 3.431 20 30 GGEDMN C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CCN1CC(C)(C)O ZINC000188629240 1431909893 /nfs/dbraw/zinc/90/98/93/1431909893.db2.gz BHDUCFFSJSALBJ-KRWDZBQOSA-N 0 1 377.488 3.142 20 30 GGEDMN CN(C)[C@H](CNC(=O)Nc1ncccc1OCCCC#N)c1cccc(F)c1 ZINC000188681736 1431931281 /nfs/dbraw/zinc/93/12/81/1431931281.db2.gz QYBKKJKCDHOQIE-QGZVFWFLSA-N 0 1 385.443 3.328 20 30 GGEDMN N#CCCCOc1cccnc1NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000188764488 1431964306 /nfs/dbraw/zinc/96/43/06/1431964306.db2.gz SOYDQHDSJZXIAO-INIZCTEOSA-N 0 1 383.452 3.316 20 30 GGEDMN N#Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1[O-] ZINC000188854232 1431999032 /nfs/dbraw/zinc/99/90/32/1431999032.db2.gz COOVIRNYQCCLCQ-RTWAWAEBSA-N 0 1 375.472 3.391 20 30 GGEDMN N#Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1[O-] ZINC000188854232 1431999038 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383.895 3.316 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000190187380 1432336545 /nfs/dbraw/zinc/33/65/45/1432336545.db2.gz NCYWCHGUTLZDNM-HOTGVXAUSA-N 0 1 390.553 3.390 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000190187405 1432336714 /nfs/dbraw/zinc/33/67/14/1432336714.db2.gz WPIFLWIIDMZRFO-CVEARBPZSA-N 0 1 390.553 3.390 20 30 GGEDMN COc1ccc2c(c1)[C@@H](N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCS2 ZINC000190608926 1432419673 /nfs/dbraw/zinc/41/96/73/1432419673.db2.gz FKVIYZOMWJFQCG-PMACEKPBSA-N 0 1 393.512 3.494 20 30 GGEDMN COc1ccc2c(c1)[C@@H](N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCS2 ZINC000190608889 1432419740 /nfs/dbraw/zinc/41/97/40/1432419740.db2.gz FKVIYZOMWJFQCG-VQTJNVASSA-N 0 1 393.512 3.494 20 30 GGEDMN CCc1nc2c(s1)[C@H](N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 ZINC000190622203 1432423249 /nfs/dbraw/zinc/42/32/49/1432423249.db2.gz JQRYAEGGVNUPLP-SJLPKXTDSA-N 0 1 380.517 3.345 20 30 GGEDMN COc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000190629714 1432425492 /nfs/dbraw/zinc/42/54/92/1432425492.db2.gz AOEAQACSKZTWJA-KXBFYZLASA-N 0 1 379.460 3.027 20 30 GGEDMN COc1ccc(OC)c([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190632854 1432426634 /nfs/dbraw/zinc/42/66/34/1432426634.db2.gz ISCOCNDXJZBJSJ-QRWLVFNGSA-N 0 1 379.460 3.027 20 30 GGEDMN COc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1 ZINC000190631969 1432426833 /nfs/dbraw/zinc/42/68/33/1432426833.db2.gz MDAHNUCBGZOVFD-QRWLVFNGSA-N 0 1 379.460 3.027 20 30 GGEDMN C[C@@H]1CN(c2ccc(C(=O)C(C#N)c3cnc4ccccc4n3)cn2)C[C@@H](C)O1 ZINC000190884339 1432518834 /nfs/dbraw/zinc/51/88/34/1432518834.db2.gz SNTWKQYZTNCLKC-INMHGKMJSA-N 0 1 387.443 3.128 20 30 GGEDMN C[C@@H]1CN(c2ccc(C(=O)[C@@H](C#N)c3cnc4ccccc4n3)cn2)C[C@@H](C)O1 ZINC000190884339 1432518843 /nfs/dbraw/zinc/51/88/43/1432518843.db2.gz SNTWKQYZTNCLKC-INMHGKMJSA-N 0 1 387.443 3.128 20 30 GGEDMN N#CC(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cnc2ccccc2n1 ZINC000190965152 1432539263 /nfs/dbraw/zinc/53/92/63/1432539263.db2.gz NJESPWJIXGPDQQ-INIZCTEOSA-N 0 1 384.355 3.214 20 30 GGEDMN N#C[C@H](C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cnc2ccccc2n1 ZINC000190965152 1432539266 /nfs/dbraw/zinc/53/92/66/1432539266.db2.gz NJESPWJIXGPDQQ-INIZCTEOSA-N 0 1 384.355 3.214 20 30 GGEDMN N#Cc1cccc(OCCN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191311492 1432628986 /nfs/dbraw/zinc/62/89/86/1432628986.db2.gz KSELDMIKAPFFIK-UHFFFAOYSA-N 0 1 397.426 3.020 20 30 GGEDMN Cn1cc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1C#N ZINC000191387016 1432648598 /nfs/dbraw/zinc/64/85/98/1432648598.db2.gz RNOJEIZOOLMTGF-UHFFFAOYSA-N 0 1 376.504 3.300 20 30 GGEDMN C=C(C)COc1cc(CN[C@H]2CCCN(c3ccnn3CC)C2=O)ccc1OC ZINC000191637925 1432697920 /nfs/dbraw/zinc/69/79/20/1432697920.db2.gz PFYNZGCSPUSDGV-SFHVURJKSA-N 0 1 398.507 3.152 20 30 GGEDMN CCN(CCN(Cc1ccccc1)S(C)(=O)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000191959078 1432767187 /nfs/dbraw/zinc/76/71/87/1432767187.db2.gz NNDKXZNEAUHKIL-SFHVURJKSA-N 0 1 385.533 3.403 20 30 GGEDMN CCN(CC)c1ccc(/C=N/[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(O)c1 ZINC000191966374 1432769848 /nfs/dbraw/zinc/76/98/48/1432769848.db2.gz WYLUBEGICHKEJA-JAMLUQCHSA-N 0 1 390.487 3.330 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000192029709 1432782235 /nfs/dbraw/zinc/78/22/35/1432782235.db2.gz FXAJTPILRVCBQD-RBUKOAKNSA-N 0 1 390.892 3.105 20 30 GGEDMN Cc1oc(NC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192125736 1432802110 /nfs/dbraw/zinc/80/21/10/1432802110.db2.gz PGTCDBZXWZOBLR-SJLPKXTDSA-N 0 1 375.375 3.105 20 30 GGEDMN Cc1oc(NC(=O)[C@@H](C)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192126265 1432802409 /nfs/dbraw/zinc/80/24/09/1432802409.db2.gz URFOZCUMHZYHNL-HWOJHCLVSA-N 0 1 389.402 3.493 20 30 GGEDMN N#Cc1ccc(CN2CC[C@@H](NCc3ccc(Oc4cnccn4)cc3)C2=O)cc1 ZINC000192242999 1432821466 /nfs/dbraw/zinc/82/14/66/1432821466.db2.gz ISGQUOCPDGVIKP-OAQYLSRUSA-N 0 1 399.454 3.031 20 30 GGEDMN 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IUBOCEKGJXXAEI-VQTJNVASSA-N 0 1 396.874 3.450 20 30 GGEDMN CC[N@@H+](C)[C@H]1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001596191730 983566999 /nfs/dbraw/zinc/56/69/99/983566999.db2.gz PWDGDQSFHXWPPC-NRFANRHFSA-N 0 1 391.471 3.343 20 30 GGEDMN C=C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588670066 983817606 /nfs/dbraw/zinc/81/76/06/983817606.db2.gz VETGHELBCDPCEP-BBWFWOEESA-N 0 1 378.444 3.148 20 30 GGEDMN C=C[C@@H](Sc1nnc([C@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588715038 983954651 /nfs/dbraw/zinc/95/46/51/983954651.db2.gz SBOZZJDIJLBAPQ-LSDHHAIUSA-N 0 1 376.482 3.020 20 30 GGEDMN C=C[C@H](Sc1nnc([C@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588715036 983954687 /nfs/dbraw/zinc/95/46/87/983954687.db2.gz SBOZZJDIJLBAPQ-GJZGRUSLSA-N 0 1 376.482 3.020 20 30 GGEDMN C=CC[C@@H](C(=O)[O-])[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001588728382 983982214 /nfs/dbraw/zinc/98/22/14/983982214.db2.gz JHLUJEYYDWRKIW-HIFRSBDPSA-N 0 1 385.245 3.185 20 30 GGEDMN C=CC[C@H](Sc1nnc([C@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588763592 984119459 /nfs/dbraw/zinc/11/94/59/984119459.db2.gz UNBOYNRNVNDTPF-HOTGVXAUSA-N 0 1 390.509 3.410 20 30 GGEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001588831732 984316626 /nfs/dbraw/zinc/31/66/26/984316626.db2.gz MHKMGBFIJLPNTA-VGOFRKELSA-N 0 1 398.528 3.380 20 30 GGEDMN CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589020868 985008525 /nfs/dbraw/zinc/00/85/25/985008525.db2.gz GJVQOGNDTPKBTF-QRWLVFNGSA-N 0 1 383.473 3.071 20 30 GGEDMN CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589020870 985008717 /nfs/dbraw/zinc/00/87/17/985008717.db2.gz GJVQOGNDTPKBTF-YWZLYKJASA-N 0 1 383.473 3.071 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1C#N ZINC001599973037 986041509 /nfs/dbraw/zinc/04/15/09/986041509.db2.gz FPECVQHCNPZRFO-GCJKJVERSA-N 0 1 398.507 3.359 20 30 GGEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001589341593 986253438 /nfs/dbraw/zinc/25/34/38/986253438.db2.gz HYIAMXXFXGFQMG-MRXNPFEDSA-N 0 1 377.444 3.078 20 30 GGEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001589341593 986253450 /nfs/dbraw/zinc/25/34/50/986253450.db2.gz HYIAMXXFXGFQMG-MRXNPFEDSA-N 0 1 377.444 3.078 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589341929 986259926 /nfs/dbraw/zinc/25/99/26/986259926.db2.gz QXEAHBMEOPBMRY-HNNXBMFYSA-N 0 1 395.434 3.217 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589341929 986259938 /nfs/dbraw/zinc/25/99/38/986259938.db2.gz QXEAHBMEOPBMRY-HNNXBMFYSA-N 0 1 395.434 3.217 20 30 GGEDMN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC001594570777 986397545 /nfs/dbraw/zinc/39/75/45/986397545.db2.gz UUMNTJOFDVBWFA-QGZVFWFLSA-N 0 1 379.460 3.236 20 30 GGEDMN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589431102 986724903 /nfs/dbraw/zinc/72/49/03/986724903.db2.gz DMQZCCYXLHYFOT-SJKOYZFVSA-N 0 1 383.835 3.223 20 30 GGEDMN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589431102 986724911 /nfs/dbraw/zinc/72/49/11/986724911.db2.gz DMQZCCYXLHYFOT-SJKOYZFVSA-N 0 1 383.835 3.223 20 30 GGEDMN CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001590005522 988952593 /nfs/dbraw/zinc/95/25/93/988952593.db2.gz WPERIJXRYZUUHY-NRFANRHFSA-N 0 1 385.464 3.232 20 30 GGEDMN CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001590005522 988952603 /nfs/dbraw/zinc/95/26/03/988952603.db2.gz WPERIJXRYZUUHY-NRFANRHFSA-N 0 1 385.464 3.232 20 30 GGEDMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001599864378 989219119 /nfs/dbraw/zinc/21/91/19/989219119.db2.gz AMGQUPMDQFPRAK-ZTFGCOKTSA-N 0 1 387.480 3.167 20 30 GGEDMN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001590139964 989406101 /nfs/dbraw/zinc/40/61/01/989406101.db2.gz QOWRRRUUGXIGCN-RANZSIQMSA-N 0 1 385.464 3.062 20 30 GGEDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001599883843 989523158 /nfs/dbraw/zinc/52/31/58/989523158.db2.gz NQQPYDXOVHODON-IBGZPJMESA-N 0 1 375.494 3.156 20 30 GGEDMN C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001599884680 989535399 /nfs/dbraw/zinc/53/53/99/989535399.db2.gz BIPFPCLRYCQUFP-GIWBLDEGSA-N 0 1 375.472 3.138 20 30 GGEDMN C[C@]12CN([C@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001599884680 989535444 /nfs/dbraw/zinc/53/54/44/989535444.db2.gz BIPFPCLRYCQUFP-GIWBLDEGSA-N 0 1 375.472 3.138 20 30 GGEDMN C[C@]12CN([C@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001599884680 989535454 /nfs/dbraw/zinc/53/54/54/989535454.db2.gz BIPFPCLRYCQUFP-GIWBLDEGSA-N 0 1 375.472 3.138 20 30 GGEDMN CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001590184985 989536186 /nfs/dbraw/zinc/53/61/86/989536186.db2.gz MVJNSOMBCGUETA-CRAIPNDOSA-N 0 1 387.480 3.311 20 30 GGEDMN CC(C)C[N@@H+](CCC(=O)[O-])CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC001591331641 992304991 /nfs/dbraw/zinc/30/49/91/992304991.db2.gz PGVYOSFJSZDADX-UHFFFAOYSA-N 0 1 377.510 3.260 20 30 GGEDMN COc1cccc([C@@H](C(=O)[O-])[N@@H+](C)CC[C@](C#N)(C(C)=O)c2ccccc2)c1 ZINC001599646743 994435827 /nfs/dbraw/zinc/43/58/27/994435827.db2.gz FMHYXICTGAGPSD-UNMCSNQZSA-N 0 1 380.444 3.193 20 30 GGEDMN C[C@H](Oc1ccccc1C[N@H+]1CCCN(c2ccccc2C#N)CC1)C(=O)[O-] ZINC001593645701 995977575 /nfs/dbraw/zinc/97/75/75/995977575.db2.gz LNRAEFPCHZDBBX-KRWDZBQOSA-N 0 1 379.460 3.122 20 30 GGEDMN COc1ccc([C@H]([NH2+]Cc2ccc(Br)cc2C#N)C(=O)[O-])cc1 ZINC001599532831 997688316 /nfs/dbraw/zinc/68/83/16/997688316.db2.gz UHJDCSVQZGIJSN-INIZCTEOSA-N 0 1 375.222 3.245 20 30 GGEDMN CO[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@](C)(C(=O)[O-])C1 ZINC001599130719 997936837 /nfs/dbraw/zinc/93/68/37/997936837.db2.gz LISYEYUTUNCOLL-IRLDBZIGSA-N 0 1 378.472 3.450 20 30 GGEDMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1ccc(C#N)cc1F)CC2 ZINC001599463526 998316705 /nfs/dbraw/zinc/31/67/05/998316705.db2.gz HLJOXOTTYAMEAG-GOSISDBHSA-N 0 1 384.407 3.289 20 30 GGEDMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1ccc(C#N)cc1F)CC2 ZINC001599463526 998316709 /nfs/dbraw/zinc/31/67/09/998316709.db2.gz HLJOXOTTYAMEAG-GOSISDBHSA-N 0 1 384.407 3.289 20 30 GGEDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1ccc(C#N)cc1F)CC2 ZINC001599463527 998317000 /nfs/dbraw/zinc/31/70/00/998317000.db2.gz HLJOXOTTYAMEAG-SFHVURJKSA-N 0 1 384.407 3.289 20 30 GGEDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccc(C#N)cc1F)CC2 ZINC001599463527 998317010 /nfs/dbraw/zinc/31/70/10/998317010.db2.gz HLJOXOTTYAMEAG-SFHVURJKSA-N 0 1 384.407 3.289 20 30 GGEDMN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001599465503 998352781 /nfs/dbraw/zinc/35/27/81/998352781.db2.gz KIRUNSIQSUFGOZ-IBGZPJMESA-N 0 1 380.444 3.458 20 30 GGEDMN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001594292782 999129539 /nfs/dbraw/zinc/12/95/39/999129539.db2.gz UGERWSHTWPAIOQ-SZGUHOMWSA-N 0 1 397.519 3.034 20 30 GGEDMN C[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001594412980 999543824 /nfs/dbraw/zinc/54/38/24/999543824.db2.gz XCZYDTIKYBDWML-OLMNPRSZSA-N 0 1 387.480 3.167 20 30 GGEDMN C[C@H](C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1CC1)C(=O)[O-] ZINC001594442178 999628519 /nfs/dbraw/zinc/62/85/19/999628519.db2.gz NQBGUNWDLPFCMQ-CHWSQXEVSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C3(C(=O)[O-])CCCC3)sc2C1 ZINC001594442711 999630325 /nfs/dbraw/zinc/63/03/25/999630325.db2.gz YYWZCUMMLGJFDL-ZDUSSCGKSA-N 0 1 389.521 3.402 20 30 GGEDMN COc1ccccc1C[C@](C)(CO)NCc1ccc(Br)cc1C#N ZINC001644309140 1126247284 /nfs/dbraw/zinc/24/72/84/1126247284.db2.gz WKKZGEMEQSRXJB-LJQANCHMSA-N 0 1 389.293 3.413 20 30 GGEDMN COc1ccc(C[C@@](C)(CO)NCc2ccc(Br)cc2C#N)cc1 ZINC001656294185 1126257517 /nfs/dbraw/zinc/25/75/17/1126257517.db2.gz UFIZZRKERMIULF-IBGZPJMESA-N 0 1 389.293 3.413 20 30 GGEDMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3C#N)n2)cc1 ZINC000006141777 206641896 /nfs/dbraw/zinc/64/18/96/206641896.db2.gz OWIUYKHXXGQKHN-GFCCVEGCSA-N 0 1 379.445 3.471 20 30 GGEDMN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(C)C[C@@H]2CCOC2)c1C#N ZINC000079020422 208069354 /nfs/dbraw/zinc/06/93/54/208069354.db2.gz FDVOUGZHIWEEHM-INIZCTEOSA-N 0 1 384.455 3.012 20 30 GGEDMN N#Cc1ccc(NC(=O)CCN2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000095469114 208191436 /nfs/dbraw/zinc/19/14/36/208191436.db2.gz ZPJKDSMEPZEVRL-UHFFFAOYSA-N 0 1 389.434 3.270 20 30 GGEDMN C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 ZINC000012605197 518934113 /nfs/dbraw/zinc/93/41/13/518934113.db2.gz QGXVKKNQUSXYQL-UHFFFAOYSA-N 0 1 394.880 3.455 20 30 GGEDMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N[C@](C)(C#N)C(C)C)n1 ZINC000005998997 524190985 /nfs/dbraw/zinc/19/09/85/524190985.db2.gz PHANHAJKRMUDDD-QGZVFWFLSA-N 0 1 393.900 3.280 20 30 GGEDMN CC(C)(C)[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccccc2C#N)c1 ZINC000116159965 564204767 /nfs/dbraw/zinc/20/47/67/564204767.db2.gz OJTJAXAZEYXWRM-XMMPIXPASA-N 0 1 376.503 3.406 20 30 GGEDMN N#CCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000116438474 564210624 /nfs/dbraw/zinc/21/06/24/564210624.db2.gz BNLLOTXYSRRTFH-UHFFFAOYSA-N 0 1 384.244 3.048 20 30 GGEDMN C=CCN(CC=C)C(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000006463848 564224617 /nfs/dbraw/zinc/22/46/17/564224617.db2.gz PJIWDGWVVJLHIC-UHFFFAOYSA-N 0 1 378.885 3.426 20 30 GGEDMN N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000012944247 564272350 /nfs/dbraw/zinc/27/23/50/564272350.db2.gz KLUNRHFXDHYYTP-UHFFFAOYSA-N 0 1 375.837 3.139 20 30 GGEDMN COc1cc(Br)c(S(=O)(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000017319699 564298060 /nfs/dbraw/zinc/29/80/60/564298060.db2.gz XXSDZZJIVNIRBZ-UHFFFAOYSA-N 0 1 397.250 3.139 20 30 GGEDMN N#C[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1cccc(Br)c1 ZINC000120668471 564331691 /nfs/dbraw/zinc/33/16/91/564331691.db2.gz RHUIGBOKBBKEAQ-HNNXBMFYSA-N 0 1 382.221 3.229 20 30 GGEDMN N#C[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1cccc(Br)c1 ZINC000120668637 564331751 /nfs/dbraw/zinc/33/17/51/564331751.db2.gz RHUIGBOKBBKEAQ-OAHLLOKOSA-N 0 1 382.221 3.229 20 30 GGEDMN COCCCCCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120977476 564347177 /nfs/dbraw/zinc/34/71/77/564347177.db2.gz WRBXJOLGYXUWCD-GOSISDBHSA-N 0 1 380.330 3.448 20 30 GGEDMN N#Cc1ccc(CN2CCCN(Cc3cncc(Br)c3)CC2)cc1 ZINC000029712080 564372720 /nfs/dbraw/zinc/37/27/20/564372720.db2.gz KOUCREHHRJJSLH-UHFFFAOYSA-N 0 1 385.309 3.424 20 30 GGEDMN N#CCCCCS(=O)(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000121599738 564376507 /nfs/dbraw/zinc/37/65/07/564376507.db2.gz KXJUKSFRDPVVJG-UHFFFAOYSA-N 0 1 383.945 3.261 20 30 GGEDMN CCN(CCC#N)C(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000053454338 564589269 /nfs/dbraw/zinc/58/92/69/564589269.db2.gz KTOPDAFZHSGFRY-UHFFFAOYSA-N 0 1 394.298 3.088 20 30 GGEDMN CC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000129193240 564640869 /nfs/dbraw/zinc/64/08/69/564640869.db2.gz NGLYMBPNCMAHDG-UHFFFAOYSA-N 0 1 385.779 3.249 20 30 GGEDMN COc1ccc(Br)cc1S(=O)(=O)Nc1cc(C#N)ccc1C ZINC000063878715 564723996 /nfs/dbraw/zinc/72/39/96/564723996.db2.gz UFMRWPVKTCSBRC-UHFFFAOYSA-N 0 1 381.251 3.439 20 30 GGEDMN COc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2OC)cc1Br ZINC000064479123 564730562 /nfs/dbraw/zinc/73/05/62/564730562.db2.gz AMAHLVJXLWIIFS-UHFFFAOYSA-N 0 1 397.250 3.139 20 30 GGEDMN N#CC1(NS(=O)(=O)c2cc(F)c(Br)cc2F)CCCCC1 ZINC000132355983 564742084 /nfs/dbraw/zinc/74/20/84/564742084.db2.gz ZYLARFHJDLKAJB-UHFFFAOYSA-N 0 1 379.226 3.232 20 30 GGEDMN C#CCN1CCC(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000066708027 564772791 /nfs/dbraw/zinc/77/27/91/564772791.db2.gz ALUOQPVRQGDAFI-SFHVURJKSA-N 0 1 381.303 3.239 20 30 GGEDMN CC(C)[C@](C)(C#N)NC(=O)CNC1(c2ccc(Br)cc2)CCC1 ZINC000067712348 564798086 /nfs/dbraw/zinc/79/80/86/564798086.db2.gz GEJBRLOVIFIRLO-KRWDZBQOSA-N 0 1 378.314 3.472 20 30 GGEDMN CCn1c2ccc(Br)cc2[nH]c1=NC(=O)c1ccc(C#N)c(C)n1 ZINC000092117198 564875303 /nfs/dbraw/zinc/87/53/03/564875303.db2.gz KTDISGHOCAXDSC-UHFFFAOYSA-N 0 1 384.237 3.068 20 30 GGEDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000093931025 564894944 /nfs/dbraw/zinc/89/49/44/564894944.db2.gz QYJIHKYUAUKJMN-UHFFFAOYSA-N 0 1 381.797 3.067 20 30 GGEDMN C=CCOc1cccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC000102747614 564933949 /nfs/dbraw/zinc/93/39/49/564933949.db2.gz XBCOSLWGMMSORT-UHFFFAOYSA-N 0 1 378.837 3.200 20 30 GGEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CCc1ccc(Br)cc1 ZINC000106861634 564989975 /nfs/dbraw/zinc/98/99/75/564989975.db2.gz RFOJNZQTZFFLOJ-RDTXWAMCSA-N 0 1 380.330 3.366 20 30 GGEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CCc1ccc(Br)cc1 ZINC000106861639 564990322 /nfs/dbraw/zinc/99/03/22/564990322.db2.gz RFOJNZQTZFFLOJ-KSSFIOAISA-N 0 1 380.330 3.366 20 30 GGEDMN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2ccc(CC#N)cc2)c1 ZINC000153593176 565002499 /nfs/dbraw/zinc/00/24/99/565002499.db2.gz WODUUGYZTMZANP-UHFFFAOYSA-N 0 1 394.294 3.382 20 30 GGEDMN C=C(C)CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000154314107 565033250 /nfs/dbraw/zinc/03/32/50/565033250.db2.gz ALOOSIQMUSMYKS-UHFFFAOYSA-N 0 1 380.853 3.152 20 30 GGEDMN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000156279859 565078645 /nfs/dbraw/zinc/07/86/45/565078645.db2.gz ZDPYNMKSTQZEPT-UHFFFAOYSA-N 0 1 385.228 3.452 20 30 GGEDMN CC(C)COC[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000157001851 565114170 /nfs/dbraw/zinc/11/41/70/565114170.db2.gz ASASGMXDPNVQJW-HNNXBMFYSA-N 0 1 382.869 3.497 20 30 GGEDMN CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1nc(C2CC2)no1 ZINC000157150615 565121531 /nfs/dbraw/zinc/12/15/31/565121531.db2.gz KEQUZNIEKAQSTK-AWEZNQCLSA-N 0 1 380.857 3.148 20 30 GGEDMN CC(C)COC[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000184290786 565126912 /nfs/dbraw/zinc/12/69/12/565126912.db2.gz SPVMHVGDXPKIAO-HNNXBMFYSA-N 0 1 382.869 3.497 20 30 GGEDMN COCCOc1ccc(C#N)cc1NC(=O)c1cc(Br)ccc1O ZINC000184454729 565135872 /nfs/dbraw/zinc/13/58/72/565135872.db2.gz OMLFZTQUQZXOCU-UHFFFAOYSA-N 0 1 391.221 3.304 20 30 GGEDMN Cc1ccc(C#N)cc1NS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000184483277 565138641 /nfs/dbraw/zinc/13/86/41/565138641.db2.gz ZHKNNHPKGNZPMX-UHFFFAOYSA-N 0 1 393.262 3.365 20 30 GGEDMN COc1cc(NS(=O)(=O)c2ccc(C#N)cc2OC)ccc1Br ZINC000184863337 565161600 /nfs/dbraw/zinc/16/16/00/565161600.db2.gz ZBOWSUHMXUYFGF-UHFFFAOYSA-N 0 1 397.250 3.139 20 30 GGEDMN CC(C)(CN[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1Br ZINC000158518030 565172524 /nfs/dbraw/zinc/17/25/24/565172524.db2.gz DFDXJWPXKGWBFA-QGZVFWFLSA-N 0 1 386.293 3.415 20 30 GGEDMN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000158740232 565179926 /nfs/dbraw/zinc/17/99/26/565179926.db2.gz ZQBOXGVFEINFJU-UHFFFAOYSA-N 0 1 385.779 3.249 20 30 GGEDMN N#C[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1cccc(Br)c1 ZINC000185147919 565181113 /nfs/dbraw/zinc/18/11/13/565181113.db2.gz FLEWYCCUMFJMKK-HNNXBMFYSA-N 0 1 382.221 3.229 20 30 GGEDMN CC(=O)Nc1ccc(Br)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000158786968 565182565 /nfs/dbraw/zinc/18/25/65/565182565.db2.gz IUSACRQSKLEEQA-UHFFFAOYSA-N 0 1 394.250 3.080 20 30 GGEDMN Cc1cc(S(=O)(=O)Nc2cc(C#N)c(Br)cn2)cc(C)c1F ZINC000185660666 565215081 /nfs/dbraw/zinc/21/50/81/565215081.db2.gz ZVXZXLQVCVEDND-UHFFFAOYSA-N 0 1 384.230 3.273 20 30 GGEDMN Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2cc(C#N)ccc2Br)cn1 ZINC000372810723 565255062 /nfs/dbraw/zinc/25/50/62/565255062.db2.gz WCFBNTFNOOIMST-FUHWJXTLSA-N 0 1 389.297 3.142 20 30 GGEDMN N#Cc1cc(Cl)ccc1CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000186757422 565284136 /nfs/dbraw/zinc/28/41/36/565284136.db2.gz AUWOUQJWIZNODS-UHFFFAOYSA-N 0 1 375.822 3.298 20 30 GGEDMN CC1(C#N)CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000272536018 565290209 /nfs/dbraw/zinc/29/02/09/565290209.db2.gz JCBGYAINEBSLER-CYBMUJFWSA-N 0 1 387.705 3.468 20 30 GGEDMN N#CCSCCCN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161758797 565292556 /nfs/dbraw/zinc/29/25/56/565292556.db2.gz NCMKQBKQMZWNIV-UHFFFAOYSA-N 0 1 386.334 3.353 20 30 GGEDMN CCCNC(=O)c1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186945100 565297360 /nfs/dbraw/zinc/29/73/60/565297360.db2.gz RZNNIPPRDRKXLY-UHFFFAOYSA-N 0 1 377.853 3.152 20 30 GGEDMN CCNC(=O)Nc1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186973239 565299068 /nfs/dbraw/zinc/29/90/68/565299068.db2.gz QTNDHGVZBRVAGD-UHFFFAOYSA-N 0 1 378.841 3.154 20 30 GGEDMN N#Cc1ccc(NS(=O)(=O)c2cc(Cl)cnc2N)cc1C(F)(F)F ZINC000164786804 565362942 /nfs/dbraw/zinc/36/29/42/565362942.db2.gz AZHBCPHGLJLEDX-UHFFFAOYSA-N 0 1 376.747 3.008 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2O)cc1Cl ZINC000168816761 565381576 /nfs/dbraw/zinc/38/15/76/565381576.db2.gz JUWBVTRHISASIA-UHFFFAOYSA-N 0 1 387.642 3.481 20 30 GGEDMN C=CCNC(=O)NC(=O)CN[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188189696 565386883 /nfs/dbraw/zinc/38/68/83/565386883.db2.gz AICJIXXNHNQZOP-HNNXBMFYSA-N 0 1 398.276 3.031 20 30 GGEDMN C[C@](C#N)(NC(=O)CNC1(c2cccc(Br)c2)CCC1)C1CC1 ZINC000170779486 565392521 /nfs/dbraw/zinc/39/25/21/565392521.db2.gz IFIKZCUNLWSHKA-QGZVFWFLSA-N 0 1 376.298 3.226 20 30 GGEDMN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@H](c1ccccc1)N(C)C ZINC000189035845 565438626 /nfs/dbraw/zinc/43/86/26/565438626.db2.gz SAWCSXSXVNVEFE-SCLBCKFNSA-N 0 1 377.897 3.181 20 30 GGEDMN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000189035796 565438654 /nfs/dbraw/zinc/43/86/54/565438654.db2.gz SAWCSXSXVNVEFE-UGSOOPFHSA-N 0 1 377.897 3.181 20 30 GGEDMN N#C[C@H](c1ccc(Br)cc1)N1CCN(CC[C@H]2CCCO2)CC1 ZINC000189799560 565489494 /nfs/dbraw/zinc/48/94/94/565489494.db2.gz XVJUYHDHSFVJTH-QZTJIDSGSA-N 0 1 378.314 3.200 20 30 GGEDMN N#C[C@H](c1ccc(Br)cc1)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC000189799540 565490061 /nfs/dbraw/zinc/49/00/61/565490061.db2.gz XVJUYHDHSFVJTH-ZWKOTPCHSA-N 0 1 378.314 3.200 20 30 GGEDMN FC(F)C(F)(F)COCC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000189922362 565497480 /nfs/dbraw/zinc/49/74/80/565497480.db2.gz KDQHOLSGHBLBOY-JTQLQIEISA-N 0 1 377.304 3.456 20 30 GGEDMN FC(F)C(F)(F)COCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000189922362 565497485 /nfs/dbraw/zinc/49/74/85/565497485.db2.gz KDQHOLSGHBLBOY-JTQLQIEISA-N 0 1 377.304 3.456 20 30 GGEDMN N#Cc1ccnc(Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c1[N+](=O)[O-] ZINC000301688738 565504898 /nfs/dbraw/zinc/50/48/98/565504898.db2.gz JISZPRFTWXWGFR-UHFFFAOYSA-N 0 1 376.163 3.493 20 30 GGEDMN N#Cc1c(Cl)nsc1Sc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000302022701 565525135 /nfs/dbraw/zinc/52/51/35/565525135.db2.gz IXINBAPRIDSWKJ-UHFFFAOYSA-N 0 1 377.838 3.376 20 30 GGEDMN COc1ccc(-c2n[nH]c(Sc3nccnc3C#N)n2)cc1Br ZINC000302664782 565548571 /nfs/dbraw/zinc/54/85/71/565548571.db2.gz JBKGGRUZZMEHPN-UHFFFAOYSA-N 0 1 389.238 3.056 20 30 GGEDMN COc1ccc(-c2n[nH]c(Sc3ccc(C#N)nn3)n2)cc1Br ZINC000302682346 565549587 /nfs/dbraw/zinc/54/95/87/565549587.db2.gz PPBBFVKNCNLQQP-UHFFFAOYSA-N 0 1 389.238 3.056 20 30 GGEDMN C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(C#N)cc1Br ZINC000278631425 565569555 /nfs/dbraw/zinc/56/95/55/565569555.db2.gz KXVMVVFSDOTDFF-AWEZNQCLSA-N 0 1 378.314 3.006 20 30 GGEDMN COc1ccc(Br)cc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000303822501 565575087 /nfs/dbraw/zinc/57/50/87/565575087.db2.gz KGHBEGCXTFUBTC-UHFFFAOYSA-N 0 1 381.251 3.439 20 30 GGEDMN CN(Cc1cc(Br)cs1)C[C@@H](O)COc1ccccc1C#N ZINC000314721954 565587344 /nfs/dbraw/zinc/58/73/44/565587344.db2.gz UUNJCVUPEMHJNX-CQSZACIVSA-N 0 1 381.295 3.254 20 30 GGEDMN CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])NCc1ccsc1Br)CC2 ZINC000328724545 565639769 /nfs/dbraw/zinc/63/97/69/565639769.db2.gz YPTBTJJXYJOFHA-LLVKDONJSA-N 0 1 398.330 3.244 20 30 GGEDMN CN(CC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCSC1 ZINC000328821475 565643834 /nfs/dbraw/zinc/64/38/34/565643834.db2.gz QJNRAJQWIJKFCL-DZGCQCFKSA-N 0 1 381.929 3.229 20 30 GGEDMN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329145336 565655691 /nfs/dbraw/zinc/65/56/91/565655691.db2.gz WTMLQOKZKMTZPP-BDJLRTHQSA-N 0 1 389.297 3.390 20 30 GGEDMN CN1CC[C@@H](N2CCC(NC(=O)Cc3ccc(Cl)cc3Cl)CC2)C1=O ZINC000329160327 565657191 /nfs/dbraw/zinc/65/71/91/565657191.db2.gz FDMSRLVKWWNENV-MRXNPFEDSA-N 0 1 384.307 3.188 20 30 GGEDMN CN1CC[C@H](N2CCC(NC(=O)Cc3cc(Cl)ccc3Cl)CC2)C1=O ZINC000329336336 565663188 /nfs/dbraw/zinc/66/31/88/565663188.db2.gz PERDIQBWAJLYFE-INIZCTEOSA-N 0 1 384.307 3.188 20 30 GGEDMN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000329452712 565667611 /nfs/dbraw/zinc/66/76/11/565667611.db2.gz PBHKBLDDIQGYLG-CABCVRRESA-N 0 1 390.285 3.107 20 30 GGEDMN O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329470583 565667730 /nfs/dbraw/zinc/66/77/30/565667730.db2.gz YHUZRMCEORNMLT-ZIAGYGMSSA-N 0 1 377.901 3.233 20 30 GGEDMN N#Cc1ccc(CN2CC[C@@H](NCc3cccc(Br)c3)C2=O)cc1 ZINC000192241780 565673203 /nfs/dbraw/zinc/67/32/03/565673203.db2.gz KJWQFZXSPBTOSU-GOSISDBHSA-N 0 1 384.277 3.211 20 30 GGEDMN O=C(N[C@@H]1CCOC2(CCSCC2)C1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329646490 565674288 /nfs/dbraw/zinc/67/42/88/565674288.db2.gz IWQJCYFHHOKGBF-CABCVRRESA-N 0 1 384.933 3.142 20 30 GGEDMN O=C(N[C@@H]1CCOC2(CCSCC2)C1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000329646492 565674371 /nfs/dbraw/zinc/67/43/71/565674371.db2.gz IWQJCYFHHOKGBF-HUUCEWRRSA-N 0 1 384.933 3.142 20 30 GGEDMN N#Cc1c(NC(=O)CCN2CCSC[C@H]2CO)sc2c1CCCCC2 ZINC000329682830 565675709 /nfs/dbraw/zinc/67/57/09/565675709.db2.gz YUDLJMMWCXEYMP-CYBMUJFWSA-N 0 1 379.551 3.276 20 30 GGEDMN [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@H]1CCc2c1cccc2Br ZINC000329956787 565687602 /nfs/dbraw/zinc/68/76/02/565687602.db2.gz PDXSFTUFCKNUHL-LRDDRELGSA-N 0 1 389.297 3.399 20 30 GGEDMN C[C@H](NC(=O)[C@H](C)N1CCn2c(n[nH]c2=O)C1)c1ccc(Cl)cc1Cl ZINC000330007281 565688732 /nfs/dbraw/zinc/68/87/32/565688732.db2.gz DLEZGDLNMXKWRB-UWVGGRQHSA-N 0 1 384.267 3.212 20 30 GGEDMN [O-]C(N[C@H]1CCc2cc(Br)ccc21)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330173198 565695427 /nfs/dbraw/zinc/69/54/27/565695427.db2.gz HDDWZFNVWAWRFM-HIFRSBDPSA-N 0 1 375.270 3.152 20 30 GGEDMN Cc1cc(NC(=O)CNC(=O)[C@H]2CCCN2C2CC2)ccc1Br ZINC000330216165 565697333 /nfs/dbraw/zinc/69/73/33/565697333.db2.gz HNJLRVWQQKQHCK-OAHLLOKOSA-N 0 1 380.286 3.279 20 30 GGEDMN Cc1cc(Br)c2c(c1)CN(C(=O)N[C@H]1CCc3c[nH]nc3C1)CC2 ZINC000330197736 565697435 /nfs/dbraw/zinc/69/74/35/565697435.db2.gz SEZQOAYRICUJQM-AWEZNQCLSA-N 0 1 389.297 3.310 20 30 GGEDMN Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1CCn3ccnc3C1)CC2 ZINC000330201129 565697532 /nfs/dbraw/zinc/69/75/32/565697532.db2.gz XIFQHQYXYIDPAW-OAHLLOKOSA-N 0 1 389.297 3.241 20 30 GGEDMN CCOc1c(Cl)cc(NC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)cc1Cl ZINC000330541365 565710828 /nfs/dbraw/zinc/71/08/28/565710828.db2.gz AFQCDOALAHRZGR-VXGBXAGGSA-N 0 1 390.311 3.325 20 30 GGEDMN O=C(N[C@H](CO)CN1CCCCC1)c1cc(Cl)cc(Br)c1F ZINC000330605675 565714039 /nfs/dbraw/zinc/71/40/39/565714039.db2.gz JVYZONUQIAKODQ-NSHDSACASA-N 0 1 393.684 3.393 20 30 GGEDMN O=C(N[C@H](CO)CN1CCCCC1)c1cc(Cl)ccc1Br ZINC000330613145 565714704 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CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183007316 566234243 /nfs/dbraw/zinc/23/42/43/566234243.db2.gz MCTDYWQFAXTFLL-UHFFFAOYSA-N 0 1 377.853 3.071 20 30 GGEDMN CCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183006829 566234470 /nfs/dbraw/zinc/23/44/70/566234470.db2.gz XSPNLBMDQVWJTK-UHFFFAOYSA-N 0 1 377.853 3.152 20 30 GGEDMN COC(=O)CCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000183053286 566236399 /nfs/dbraw/zinc/23/63/99/566236399.db2.gz YNOJBJOHOWPZDL-UHFFFAOYSA-N 0 1 378.837 3.118 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)c(F)c2)c(Cl)c1 ZINC000183159892 566240022 /nfs/dbraw/zinc/24/00/22/566240022.db2.gz VMVXMIKRIOPBJL-UHFFFAOYSA-N 0 1 376.800 3.337 20 30 GGEDMN CC[C@@H](Cc1ccccc1Br)N(C)CC(=O)N(CC)CCC#N ZINC000481810422 566253772 /nfs/dbraw/zinc/25/37/72/566253772.db2.gz DXGJBSAYAKZOEM-INIZCTEOSA-N 0 1 380.330 3.464 20 30 GGEDMN CCc1nc(C)c(NS(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000481874260 566258920 /nfs/dbraw/zinc/25/89/20/566258920.db2.gz YPXRVEWTAAOVIV-UHFFFAOYSA-N 0 1 386.296 3.449 20 30 GGEDMN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599525938 566272414 /nfs/dbraw/zinc/27/24/14/566272414.db2.gz CBZIIAFANAEXCE-BBRMVZONSA-N 0 1 396.354 3.376 20 30 GGEDMN N#Cc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462363392 566291210 /nfs/dbraw/zinc/29/12/10/566291210.db2.gz YPLDSZBWXZQGHU-UHFFFAOYSA-N 0 1 386.216 3.252 20 30 GGEDMN COc1cc(C)c(Br)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000462377911 566292907 /nfs/dbraw/zinc/29/29/07/566292907.db2.gz CKLRBQWCYRTWAG-UHFFFAOYSA-N 0 1 381.251 3.439 20 30 GGEDMN O=S(=O)(NC1(C(F)(F)F)CCOCC1)c1ccc(F)cc1C(F)(F)F ZINC000509425256 566303816 /nfs/dbraw/zinc/30/38/16/566303816.db2.gz VKGRWSWIDKYVBG-UHFFFAOYSA-N 0 1 395.296 3.234 20 30 GGEDMN N#Cc1cccc(CNC(=O)CN[C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000556545081 566312722 /nfs/dbraw/zinc/31/27/22/566312722.db2.gz FAPDCDDYZJHOOO-LJQANCHMSA-N 0 1 399.292 3.073 20 30 GGEDMN C=CCn1c(-c2ccccc2Br)nnc1N1CCN(CC)[C@H](C)C1 ZINC000669815054 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CNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000507986645 567721617 /nfs/dbraw/zinc/72/16/17/567721617.db2.gz QEOLDTPEXQOVTK-UHFFFAOYSA-N 0 1 391.250 3.035 20 30 GGEDMN C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)N(C)Cc1ccccc1 ZINC000443084713 567730151 /nfs/dbraw/zinc/73/01/51/567730151.db2.gz ZLIJPVXKZCXJPW-CQSZACIVSA-N 0 1 377.897 3.010 20 30 GGEDMN C=CCNC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000533395348 567767041 /nfs/dbraw/zinc/76/70/41/567767041.db2.gz RWXPDYDIMNQPSW-GFCCVEGCSA-N 0 1 384.307 3.335 20 30 GGEDMN CC(C)(C#N)C[C@@H](O)CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000598602057 567778977 /nfs/dbraw/zinc/77/89/77/567778977.db2.gz ZUOGMJLKCLJNLM-MRXNPFEDSA-N 0 1 384.351 3.454 20 30 GGEDMN C[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598597564 567779066 /nfs/dbraw/zinc/77/90/66/567779066.db2.gz YRPQOYZFWAMLLE-QAPCUYQASA-N 0 1 394.357 3.428 20 30 GGEDMN CC(C)(C#N)C[C@@H](O)CN1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000598620762 567779924 /nfs/dbraw/zinc/77/99/24/567779924.db2.gz RYMYFMJQOZLDBT-MRXNPFEDSA-N 0 1 398.320 3.007 20 30 GGEDMN CC(C)(CC#N)CS(=O)(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000598623911 567780518 /nfs/dbraw/zinc/78/05/18/567780518.db2.gz DKMYMMCSEDXMFH-UHFFFAOYSA-N 0 1 395.269 3.400 20 30 GGEDMN CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(Br)c2C#N)cc1 ZINC000555528609 567786685 /nfs/dbraw/zinc/78/66/85/567786685.db2.gz JZHVNNZQFCOHIN-UHFFFAOYSA-N 0 1 394.250 3.080 20 30 GGEDMN C=CCOc1c(Br)cc(CNC[C@@](C)(O)C(F)(F)F)cc1OC ZINC000534092994 567799649 /nfs/dbraw/zinc/79/96/49/567799649.db2.gz HWLRAVKXKMGYOE-CQSZACIVSA-N 0 1 398.219 3.425 20 30 GGEDMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1 ZINC000006141674 570276640 /nfs/dbraw/zinc/27/66/40/570276640.db2.gz UWOVKWJZBWHREO-GFCCVEGCSA-N 0 1 379.445 3.471 20 30 GGEDMN C=CCc1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(OC)c1 ZINC000032896479 570887645 /nfs/dbraw/zinc/88/76/45/570887645.db2.gz IAPGFRBONPMDDB-UHFFFAOYSA-N 0 1 395.503 3.193 20 30 GGEDMN C[C@H](C(=O)N1CCc2sccc2C1)N1CCCN(c2ccccc2C#N)CC1 ZINC000052801329 570908280 /nfs/dbraw/zinc/90/82/80/570908280.db2.gz WABOODYLNSTDQR-QGZVFWFLSA-N 0 1 394.544 3.105 20 30 GGEDMN CC(C)Cc1nc(-c2nn[nH]n2)c(N=NCc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000735851087 598824131 /nfs/dbraw/zinc/82/41/31/598824131.db2.gz LRURVMBNIKNGIZ-UHFFFAOYSA-N 0 1 390.791 3.061 20 30 GGEDMN CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC(C)c2cnc3ccsc3c2)o1 ZINC000735450677 598824245 /nfs/dbraw/zinc/82/42/45/598824245.db2.gz CEDJYWNREVCEAY-UHFFFAOYSA-N 0 1 382.453 3.499 20 30 GGEDMN Cc1nc(-c2nn[nH]n2)c(N=NC(C)Cc2ccc(Br)cc2F)o1 ZINC000736054817 598491897 /nfs/dbraw/zinc/49/18/97/598491897.db2.gz ANISJTBZOIXZQR-UHFFFAOYSA-N 0 1 394.208 3.095 20 30 GGEDMN CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1)c1c(Cl)nc2ccccn21 ZINC000735451165 599534126 /nfs/dbraw/zinc/53/41/26/599534126.db2.gz QXBKWBFSRAPFOP-UHFFFAOYSA-N 0 1 399.846 3.289 20 30 GGEDMN N#Cc1c2c(sc1NC(=O)CC[N@H+]1[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]31)CCC2 ZINC000739093630 599713119 /nfs/dbraw/zinc/71/31/19/599713119.db2.gz RRVTWFINLAEUSA-RCBQFDQVSA-N 0 1 387.505 3.155 20 30 GGEDMN CC(C)[N@@H+](C)CCNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736457502 599795131 /nfs/dbraw/zinc/79/51/31/599795131.db2.gz LJZJUJNWFUTQBN-UHFFFAOYSA-N 0 1 379.460 3.246 20 30 GGEDMN COc1ccc2c(c1)CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1)CC2 ZINC000826212431 607783062 /nfs/dbraw/zinc/78/30/62/607783062.db2.gz QGCFGQUDMYUMKB-UHFFFAOYSA-N 0 1 381.440 3.118 20 30 GGEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(CC(=O)[O-])CC1 ZINC000736202328 599855853 /nfs/dbraw/zinc/85/58/53/599855853.db2.gz MBJSHBJKXFQVNI-CQSZACIVSA-N 0 1 375.494 3.064 20 30 GGEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000736546457 599855955 /nfs/dbraw/zinc/85/59/55/599855955.db2.gz YKRCDYQLURQLBM-HUUCEWRRSA-N 0 1 375.494 3.349 20 30 GGEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000736546457 599855956 /nfs/dbraw/zinc/85/59/56/599855956.db2.gz YKRCDYQLURQLBM-HUUCEWRRSA-N 0 1 375.494 3.349 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000736546456 599855985 /nfs/dbraw/zinc/85/59/85/599855985.db2.gz YKRCDYQLURQLBM-GJZGRUSLSA-N 0 1 375.494 3.349 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000736546456 599855986 /nfs/dbraw/zinc/85/59/86/599855986.db2.gz YKRCDYQLURQLBM-GJZGRUSLSA-N 0 1 375.494 3.349 20 30 GGEDMN C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC000737515328 599878913 /nfs/dbraw/zinc/87/89/13/599878913.db2.gz SUFHCQLQZUCEKN-LJQANCHMSA-N 0 1 391.471 3.248 20 30 GGEDMN C[C@@H](C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1)C(=O)[O-] ZINC000736577369 599949342 /nfs/dbraw/zinc/94/93/42/599949342.db2.gz BERJZSOCTBQLCK-ZDUSSCGKSA-N 0 1 389.521 3.402 20 30 GGEDMN COc1cc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)ccc1OCc1cccc(C#N)c1 ZINC000737881531 600261502 /nfs/dbraw/zinc/26/15/02/600261502.db2.gz RXRXEEKVPXWYAW-LJQANCHMSA-N 0 1 380.444 3.442 20 30 GGEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736200785 600290173 /nfs/dbraw/zinc/29/01/73/600290173.db2.gz DFKLTBIJHWYBFU-CABCVRRESA-N 0 1 387.505 3.064 20 30 GGEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736200790 600290394 /nfs/dbraw/zinc/29/03/94/600290394.db2.gz DFKLTBIJHWYBFU-HUUCEWRRSA-N 0 1 387.505 3.064 20 30 GGEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)CC2)cc1 ZINC000739118561 600384825 /nfs/dbraw/zinc/38/48/25/600384825.db2.gz TUSXWYUVNOVTNK-UHFFFAOYSA-N 0 1 396.422 3.135 20 30 GGEDMN C=CCC[C@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)c1ccccc1 ZINC000819734384 607440139 /nfs/dbraw/zinc/44/01/39/607440139.db2.gz NMXRMQAEQVAJKA-HNNXBMFYSA-N 0 1 396.476 3.127 20 30 GGEDMN COc1cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(F)F ZINC000737882187 600562390 /nfs/dbraw/zinc/56/23/90/600562390.db2.gz URLQZKGBBBEZGW-QGZVFWFLSA-N 0 1 376.359 3.426 20 30 GGEDMN COc1ccc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC(F)F ZINC000737995922 600563484 /nfs/dbraw/zinc/56/34/84/600563484.db2.gz UEYNVCMFCBWCHC-KRWDZBQOSA-N 0 1 376.359 3.426 20 30 GGEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000739103398 600565374 /nfs/dbraw/zinc/56/53/74/600565374.db2.gz AQXOFTDAFAUOJV-QAPCUYQASA-N 0 1 398.850 3.083 20 30 GGEDMN C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000736813354 600593699 /nfs/dbraw/zinc/59/36/99/600593699.db2.gz DJAQSZWXJXPOQN-DRSNIGMVSA-N 0 1 393.487 3.083 20 30 GGEDMN C[C@H](C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1)C(=O)[O-] ZINC000827455923 600823527 /nfs/dbraw/zinc/82/35/27/600823527.db2.gz PDHKTPYJGNCFGC-OAHLLOKOSA-N 0 1 376.416 3.331 20 30 GGEDMN C[C@@H]1C[C@H](NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC[N@H+]1C ZINC000736759021 600941186 /nfs/dbraw/zinc/94/11/86/600941186.db2.gz FVOWCVJEZUDQLL-IIBYNOLFSA-N 0 1 391.471 3.389 20 30 GGEDMN Cc1cccc(N(CCC#N)C(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1C ZINC000832971350 600988129 /nfs/dbraw/zinc/98/81/29/600988129.db2.gz KXFQRNVRQZWCIJ-RLLQIKCJSA-N 0 1 383.492 3.268 20 30 GGEDMN Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1C ZINC000832971349 600988139 /nfs/dbraw/zinc/98/81/39/600988139.db2.gz KXFQRNVRQZWCIJ-IHPCNDPISA-N 0 1 383.492 3.268 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000736218746 601030837 /nfs/dbraw/zinc/03/08/37/601030837.db2.gz BAPROIPFUDJBLT-OLZOCXBDSA-N 0 1 375.494 3.012 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000736218746 601030840 /nfs/dbraw/zinc/03/08/40/601030840.db2.gz BAPROIPFUDJBLT-OLZOCXBDSA-N 0 1 375.494 3.012 20 30 GGEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000739106099 601119371 /nfs/dbraw/zinc/11/93/71/601119371.db2.gz PSDAVKXLFOUMLY-BBRMVZONSA-N 0 1 378.354 3.305 20 30 GGEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000739106102 601119451 /nfs/dbraw/zinc/11/94/51/601119451.db2.gz PSDAVKXLFOUMLY-CJNGLKHVSA-N 0 1 378.354 3.305 20 30 GGEDMN COc1ccc(Br)c(C[NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832143207 601302195 /nfs/dbraw/zinc/30/21/95/601302195.db2.gz XHNASAAYKWSGLN-INIZCTEOSA-N 0 1 375.222 3.245 20 30 GGEDMN COc1cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(F)F ZINC000831989841 601309295 /nfs/dbraw/zinc/30/92/95/601309295.db2.gz NVTJRHYTRXPHHC-QGZVFWFLSA-N 0 1 376.359 3.426 20 30 GGEDMN COc1ccc(C[N@@H+](C)[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC(F)F ZINC000832310432 601311842 /nfs/dbraw/zinc/31/18/42/601311842.db2.gz ANDKAZFLAUSFNL-KRWDZBQOSA-N 0 1 376.359 3.426 20 30 GGEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000833074169 601312343 /nfs/dbraw/zinc/31/23/43/601312343.db2.gz QKFFQLMRPCOWHF-YJBOKZPZSA-N 0 1 398.850 3.083 20 30 GGEDMN CN(C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000830718367 601313553 /nfs/dbraw/zinc/31/35/53/601313553.db2.gz QLNZDKXWTKPTNK-WMZOPIPTSA-N 0 1 387.480 3.263 20 30 GGEDMN COc1cccc([C@@H](C)[NH+]2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832534078 601315573 /nfs/dbraw/zinc/31/55/73/601315573.db2.gz SFTKGXOIXAHJCE-IERDGZPVSA-N 0 1 379.460 3.071 20 30 GGEDMN Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])c(C#N)c1C ZINC000833034472 601390135 /nfs/dbraw/zinc/39/01/35/601390135.db2.gz VGZWFWCAMHSFKV-CYBMUJFWSA-N 0 1 385.489 3.398 20 30 GGEDMN N#Cc1cccc(-c2nnc(C[N@H+]3C[C@H](C4CCCCC4)C[C@H]3C(=O)[O-])o2)c1 ZINC000833074063 601430868 /nfs/dbraw/zinc/43/08/68/601430868.db2.gz NQIVBDMCYGBJRN-MSOLQXFVSA-N 0 1 380.448 3.464 20 30 GGEDMN N#Cc1cccc(-c2nnc(C[N@@H+]3C[C@H](C4CCCCC4)C[C@H]3C(=O)[O-])o2)c1 ZINC000833074063 601430870 /nfs/dbraw/zinc/43/08/70/601430870.db2.gz NQIVBDMCYGBJRN-MSOLQXFVSA-N 0 1 380.448 3.464 20 30 GGEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1C#N ZINC000832849968 601513605 /nfs/dbraw/zinc/51/36/05/601513605.db2.gz VFRUVHFSYYKARX-ACJLOTCBSA-N 0 1 386.496 3.073 20 30 GGEDMN COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000831860798 601901416 /nfs/dbraw/zinc/90/14/16/601901416.db2.gz CLZPZSMTWUBKFH-SFHVURJKSA-N 0 1 394.349 3.121 20 30 GGEDMN C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830727032 601906411 /nfs/dbraw/zinc/90/64/11/601906411.db2.gz GFRBHEUYGQOKCA-SFHVURJKSA-N 0 1 391.349 3.062 20 30 GGEDMN C[C@]1(C(=O)[O-])CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000828024859 601935220 /nfs/dbraw/zinc/93/52/20/601935220.db2.gz YXZWBGDIMOZEIU-IBGZPJMESA-N 0 1 375.494 3.014 20 30 GGEDMN Cc1cc(N(CCC#N)C(=O)C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)ccc1Cl ZINC000832889287 601955797 /nfs/dbraw/zinc/95/57/97/601955797.db2.gz PNTMEZGLWYJETR-CQSZACIVSA-N 0 1 377.872 3.080 20 30 GGEDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000827687362 602244454 /nfs/dbraw/zinc/24/44/54/602244454.db2.gz KWJGTAJPLZRUHY-BMGDILEWSA-N 0 1 387.480 3.309 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CC(=O)[O-])C1CCCC1 ZINC000827219308 602331790 /nfs/dbraw/zinc/33/17/90/602331790.db2.gz YLQDGZBDZYHOOL-AWEZNQCLSA-N 0 1 375.494 3.349 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000827219308 602331793 /nfs/dbraw/zinc/33/17/93/602331793.db2.gz YLQDGZBDZYHOOL-AWEZNQCLSA-N 0 1 375.494 3.349 20 30 GGEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CC(=O)[O-])C1CCCC1 ZINC000825967371 602335512 /nfs/dbraw/zinc/33/55/12/602335512.db2.gz URJZYZUUCOFUFH-AWEZNQCLSA-N 0 1 375.494 3.206 20 30 GGEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000825967371 602335514 /nfs/dbraw/zinc/33/55/14/602335514.db2.gz URJZYZUUCOFUFH-AWEZNQCLSA-N 0 1 375.494 3.206 20 30 GGEDMN N#CCOc1ccc(C[NH+]2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)cc1 ZINC000833067560 604358397 /nfs/dbraw/zinc/35/83/97/604358397.db2.gz GCBUCYVQUVQXJW-FQEVSTJZSA-N 0 1 399.878 3.186 20 30 GGEDMN C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1(C(=O)[O-])CCCC1 ZINC000830683886 604462159 /nfs/dbraw/zinc/46/21/59/604462159.db2.gz PGCUGBYVMVBWNY-UHFFFAOYSA-N 0 1 375.494 3.156 20 30 GGEDMN C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1(C(=O)[O-])CCCC1 ZINC000830683886 604462160 /nfs/dbraw/zinc/46/21/60/604462160.db2.gz PGCUGBYVMVBWNY-UHFFFAOYSA-N 0 1 375.494 3.156 20 30 GGEDMN Cc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc(C)c1OCC(=O)[O-] ZINC000832883743 604474219 /nfs/dbraw/zinc/47/42/19/604474219.db2.gz YZBVGNGBVBFPFQ-OAQYLSRUSA-N 0 1 393.487 3.149 20 30 GGEDMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000833405954 604491917 /nfs/dbraw/zinc/49/19/17/604491917.db2.gz ZMWJLYGZEUKMQW-INIZCTEOSA-N 0 1 389.455 3.050 20 30 GGEDMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000833405954 604491923 /nfs/dbraw/zinc/49/19/23/604491923.db2.gz ZMWJLYGZEUKMQW-INIZCTEOSA-N 0 1 389.455 3.050 20 30 GGEDMN C=CCc1cc(C[N@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c(O)c(OC)c1 ZINC000833379696 604501812 /nfs/dbraw/zinc/50/18/12/604501812.db2.gz KNEXZMDEJLPGIY-UHFFFAOYSA-N 0 1 377.387 3.494 20 30 GGEDMN C=CCc1cc(C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)c(O)c(OC)c1 ZINC000833379696 604501814 /nfs/dbraw/zinc/50/18/14/604501814.db2.gz KNEXZMDEJLPGIY-UHFFFAOYSA-N 0 1 377.387 3.494 20 30 GGEDMN C=CCOc1c(Br)cc(C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1OC ZINC000263399398 604522195 /nfs/dbraw/zinc/52/21/95/604522195.db2.gz HPDJEMCOCDTQHL-AWEZNQCLSA-N 0 1 384.270 3.462 20 30 GGEDMN C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000263434531 604524063 /nfs/dbraw/zinc/52/40/63/604524063.db2.gz TZUHSWKLJNVMQG-CYBMUJFWSA-N 0 1 384.270 3.319 20 30 GGEDMN CN(C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])c2C#N)C1)C(=O)OC(C)(C)C ZINC000833693341 604605769 /nfs/dbraw/zinc/60/57/69/604605769.db2.gz UKQYYSTZLDDNGG-HNNXBMFYSA-N 0 1 387.480 3.335 20 30 GGEDMN CN(C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1)C(=O)OC(C)(C)C ZINC000833693341 604605774 /nfs/dbraw/zinc/60/57/74/604605774.db2.gz UKQYYSTZLDDNGG-HNNXBMFYSA-N 0 1 387.480 3.335 20 30 GGEDMN C=CCc1cc(C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)cc(OC)c1O ZINC000833379938 604638290 /nfs/dbraw/zinc/63/82/90/604638290.db2.gz QQAPZLANZRPJQW-UHFFFAOYSA-N 0 1 377.387 3.494 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c1C#N ZINC000832849598 604746642 /nfs/dbraw/zinc/74/66/42/604746642.db2.gz LBNPAKJMVHFXAB-ZDUSSCGKSA-N 0 1 386.496 3.215 20 30 GGEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833375815 604846777 /nfs/dbraw/zinc/84/67/77/604846777.db2.gz GZNSQBUFOTWEEO-HNNXBMFYSA-N 0 1 384.501 3.408 20 30 GGEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833375815 604846781 /nfs/dbraw/zinc/84/67/81/604846781.db2.gz GZNSQBUFOTWEEO-HNNXBMFYSA-N 0 1 384.501 3.408 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833411069 604951004 /nfs/dbraw/zinc/95/10/04/604951004.db2.gz LGZMBHOBGQWNKI-CHWSQXEVSA-N 0 1 389.521 3.258 20 30 GGEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000833421265 604952737 /nfs/dbraw/zinc/95/27/37/604952737.db2.gz LAMKTVJOLGJWLA-AWEZNQCLSA-N 0 1 377.872 3.363 20 30 GGEDMN CC(C)(C)OC(=O)N1CCC2(CC[N@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)CC1 ZINC000833436558 605018672 /nfs/dbraw/zinc/01/86/72/605018672.db2.gz KLHIPBCYFYMDPM-SFHVURJKSA-N 0 1 399.491 3.407 20 30 GGEDMN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833436032 605221130 /nfs/dbraw/zinc/22/11/30/605221130.db2.gz BJTQXYUZUKUBFY-SQNIBIBYSA-N 0 1 385.464 3.158 20 30 GGEDMN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833437651 605222154 /nfs/dbraw/zinc/22/21/54/605222154.db2.gz UULGUKHKXGVICO-FGTMMUONSA-N 0 1 385.464 3.158 20 30 GGEDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@@H]21 ZINC000833439015 605428368 /nfs/dbraw/zinc/42/83/68/605428368.db2.gz NUPDVXFVOQCDPE-FCGDIQPGSA-N 0 1 399.491 3.309 20 30 GGEDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@@H]21 ZINC000833439027 605428406 /nfs/dbraw/zinc/42/84/06/605428406.db2.gz NUPDVXFVOQCDPE-HCXYKTFWSA-N 0 1 399.491 3.309 20 30 GGEDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)C[C@@H]21 ZINC000833439319 605428632 /nfs/dbraw/zinc/42/86/32/605428632.db2.gz QVIKCUFYRAORNQ-FCGDIQPGSA-N 0 1 399.491 3.309 20 30 GGEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CC(C)(C)Oc3cc(F)ccc32)o1 ZINC000820198119 606370350 /nfs/dbraw/zinc/37/03/50/606370350.db2.gz QRSRXGKROIHQHJ-UHFFFAOYSA-N 0 1 385.403 3.495 20 30 GGEDMN CCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1)c1ccc(N(C)C)cc1 ZINC000820832438 607036006 /nfs/dbraw/zinc/03/60/06/607036006.db2.gz KAOKOOPVUFBIBQ-UHFFFAOYSA-N 0 1 382.472 3.444 20 30 GGEDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccccc1-c1nn[nH]n1 ZINC000826497469 607882176 /nfs/dbraw/zinc/88/21/76/607882176.db2.gz INXPSUQZRGLBNU-UHFFFAOYSA-N 0 1 377.286 3.240 20 30 GGEDMN CCCCc1nc(Cl)c(CN=Nc2oc(C(C)C)nc2-c2nn[nH]n2)[nH]1 ZINC000825296396 607887965 /nfs/dbraw/zinc/88/79/65/607887965.db2.gz HCUPCUKVWYLVMH-UHFFFAOYSA-N 0 1 377.840 3.143 20 30 GGEDMN CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1)c1nc2c(s1)CCCC2 ZINC000823961898 608053678 /nfs/dbraw/zinc/05/36/78/608053678.db2.gz BMHDHQOLSYSCBE-UHFFFAOYSA-N 0 1 386.485 3.324 20 30 GGEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2cccc(OCc3ccc(F)cc3)c2)o1 ZINC000826323072 608319051 /nfs/dbraw/zinc/31/90/51/608319051.db2.gz OPNPVRIKUYGWBM-UHFFFAOYSA-N 0 1 393.382 3.327 20 30 GGEDMN Fc1ccc(Br)c(C=NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826373781 608536723 /nfs/dbraw/zinc/53/67/23/608536723.db2.gz ZFYBPJJVSWVTDK-UHFFFAOYSA-N 0 1 396.611 3.263 20 30 GGEDMN CC(C)(C)OC(=O)c1cccc(C=NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000824113974 609305515 /nfs/dbraw/zinc/30/55/15/609305515.db2.gz HOGOHBYEUNUFDO-UHFFFAOYSA-N 0 1 399.842 3.316 20 30 GGEDMN Cc1[nH]c2ccc(F)cc2c1CN=Nc1oc(CC(C)C)nc1-c1nn[nH]n1 ZINC000826233370 609449352 /nfs/dbraw/zinc/44/93/52/609449352.db2.gz DZTHZNWREGHKSZ-UHFFFAOYSA-N 0 1 382.403 3.428 20 30 GGEDMN CC(C)C(=O)NCC/N=C/c1cc(Br)cc(Br)c1O ZINC000025258517 1399781530 /nfs/dbraw/zinc/78/15/30/1399781530.db2.gz QAZRGVKQXHXIOL-FRKPEAEDSA-N 0 1 392.091 3.108 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCN(CC3CC3)CC2)c1C#N ZINC000053238046 1406339300 /nfs/dbraw/zinc/33/93/00/1406339300.db2.gz GTTWAFPVAKTGAJ-UHFFFAOYSA-N 0 1 383.540 3.058 20 30 GGEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCN(CC3CC3)CC2)c1C#N ZINC000053237780 1406339851 /nfs/dbraw/zinc/33/98/51/1406339851.db2.gz FMXRQKODKFPFCL-UHFFFAOYSA-N 0 1 397.567 3.448 20 30 GGEDMN COc1cc(OC)c(OC)c2[nH]c(C(=O)Nc3nc(-c4ccccn4)n[nH]3)cc21 ZINC000053527435 1406426526 /nfs/dbraw/zinc/42/65/26/1406426526.db2.gz VATXIQIIZTVEHD-UHFFFAOYSA-N 0 1 394.391 3.010 20 30 GGEDMN N#Cc1ccc(CN2CCCN(C(=O)NCCCOc3ccccc3)CC2)cc1 ZINC000054005302 1406585767 /nfs/dbraw/zinc/58/57/67/1406585767.db2.gz PSJLJRDGXMODEH-UHFFFAOYSA-N 0 1 392.503 3.245 20 30 GGEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000054216748 1406655366 /nfs/dbraw/zinc/65/53/66/1406655366.db2.gz YHLVUABKEAABCQ-OAHLLOKOSA-N 0 1 392.931 3.199 20 30 GGEDMN N#Cc1ccc(CN2CCCN(CC(=O)NCc3cccc(Cl)c3)CC2)cc1 ZINC000054454779 1406741803 /nfs/dbraw/zinc/74/18/03/1406741803.db2.gz CHPNYFBKRZYRRC-UHFFFAOYSA-N 0 1 396.922 3.036 20 30 GGEDMN CCc1ccccc1NC(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054642752 1406793152 /nfs/dbraw/zinc/79/31/52/1406793152.db2.gz NIPXZJBODXFJRT-UHFFFAOYSA-N 0 1 376.504 3.267 20 30 GGEDMN Cc1ccccc1NC(=O)[C@@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055102329 1406885676 /nfs/dbraw/zinc/88/56/76/1406885676.db2.gz FGOJMDULSQUIQG-LJQANCHMSA-N 0 1 376.504 3.402 20 30 GGEDMN C[C@@H](C(=O)NCCC1=CCCCC1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172694 1406897577 /nfs/dbraw/zinc/89/75/77/1406897577.db2.gz BUFLMXADYXUCLF-FQEVSTJZSA-N 0 1 394.563 3.461 20 30 GGEDMN COc1ccc(OCCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000055294225 1406922995 /nfs/dbraw/zinc/92/29/95/1406922995.db2.gz QLHNRUIUVRCDMK-UHFFFAOYSA-N 0 1 393.487 3.070 20 30 GGEDMN N#Cc1ccc(CN2CCCN(C(=O)CCOc3ccccc3F)CC2)cc1 ZINC000055309734 1406926027 /nfs/dbraw/zinc/92/60/27/1406926027.db2.gz QHCKGSZLCHWIJZ-UHFFFAOYSA-N 0 1 381.451 3.201 20 30 GGEDMN CC(C)(C#N)C(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000055327630 1406931262 /nfs/dbraw/zinc/93/12/62/1406931262.db2.gz WIIZRFDGOARBQC-UHFFFAOYSA-N 0 1 376.504 3.493 20 30 GGEDMN CCc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[nH]c(C)c1C(C)=O ZINC000055388365 1406945645 /nfs/dbraw/zinc/94/56/45/1406945645.db2.gz JJLGCIQSZZUBER-UHFFFAOYSA-N 0 1 380.492 3.164 20 30 GGEDMN COc1ccc2nc(SCc3nc4ccccc4c(=O)n3CC#N)[nH]c2c1 ZINC000004273757 1398388411 /nfs/dbraw/zinc/38/84/11/1398388411.db2.gz CXGWVFMOEOCEDI-UHFFFAOYSA-N 0 1 377.429 3.097 20 30 GGEDMN CCOC(=O)Nc1ccc(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1 ZINC000010703499 1398912412 /nfs/dbraw/zinc/91/24/12/1398912412.db2.gz JYUBVEGPVQWTKE-CQSZACIVSA-N 0 1 387.417 3.053 20 30 GGEDMN CCOC(=O)Nc1ccc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000010703499 1398912415 /nfs/dbraw/zinc/91/24/15/1398912415.db2.gz JYUBVEGPVQWTKE-CQSZACIVSA-N 0 1 387.417 3.053 20 30 GGEDMN CCc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)n[nH]1 ZINC000011717443 1399007555 /nfs/dbraw/zinc/00/75/55/1399007555.db2.gz FZNFBFRVKVYTRS-UHFFFAOYSA-N 0 1 394.504 3.436 20 30 GGEDMN CCc1n[nH]c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)n1 ZINC000011717443 1399007559 /nfs/dbraw/zinc/00/75/59/1399007559.db2.gz FZNFBFRVKVYTRS-UHFFFAOYSA-N 0 1 394.504 3.436 20 30 GGEDMN COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1OC ZINC000055555402 1407000020 /nfs/dbraw/zinc/00/00/20/1407000020.db2.gz IYQNYQSFTQNAJU-UHFFFAOYSA-N 0 1 386.351 3.395 20 30 GGEDMN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)c1 ZINC000016196982 1399221049 /nfs/dbraw/zinc/22/10/49/1399221049.db2.gz JPCGTTQKGBUJME-LBPRGKRZSA-N 0 1 391.430 3.115 20 30 GGEDMN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)c1 ZINC000016196982 1399221053 /nfs/dbraw/zinc/22/10/53/1399221053.db2.gz JPCGTTQKGBUJME-LBPRGKRZSA-N 0 1 391.430 3.115 20 30 GGEDMN CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)OCc1ccc(C#N)cc1 ZINC000016415104 1399238806 /nfs/dbraw/zinc/23/88/06/1399238806.db2.gz XTZAHVUDOPXGGT-UHFFFAOYSA-N 0 1 380.425 3.440 20 30 GGEDMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000016734794 1399259486 /nfs/dbraw/zinc/25/94/86/1399259486.db2.gz KILHNMCTUUJTKN-PZJWPPBQSA-N 0 1 381.501 3.004 20 30 GGEDMN N#Cc1cccnc1Oc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000055591899 1407016765 /nfs/dbraw/zinc/01/67/65/1407016765.db2.gz TYLAZTBRHJSSKW-UHFFFAOYSA-N 0 1 393.424 3.481 20 30 GGEDMN COc1ccccc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000055595660 1407018947 /nfs/dbraw/zinc/01/89/47/1407018947.db2.gz AXERQEDASNSXAM-UHFFFAOYSA-N 0 1 386.351 3.309 20 30 GGEDMN CCN(C(C)=O)c1nc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cs1 ZINC000021405946 1399378106 /nfs/dbraw/zinc/37/81/06/1399378106.db2.gz QGXHXXUHHWVSOK-UHFFFAOYSA-N 0 1 397.548 3.095 20 30 GGEDMN C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021405861 1399378489 /nfs/dbraw/zinc/37/84/89/1399378489.db2.gz BMKUPUKXJPZFHJ-MRXNPFEDSA-N 0 1 397.910 3.142 20 30 GGEDMN COc1ccc(NC(=O)[C@@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000021406086 1399378518 /nfs/dbraw/zinc/37/85/18/1399378518.db2.gz LEHAOXYUMIIPCV-GOSISDBHSA-N 0 1 392.503 3.102 20 30 GGEDMN C[C@@H](C(=O)Nc1cccnc1Cl)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021406181 1399379020 /nfs/dbraw/zinc/37/90/20/1399379020.db2.gz GUPGQJXLDDWTDH-INIZCTEOSA-N 0 1 397.910 3.142 20 30 GGEDMN Cc1ccc(CNC(=O)[C@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000021406333 1399379266 /nfs/dbraw/zinc/37/92/66/1399379266.db2.gz GKRQISNTCZDXPW-FQEVSTJZSA-N 0 1 390.531 3.079 20 30 GGEDMN Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)n1 ZINC000021752881 1399406643 /nfs/dbraw/zinc/40/66/43/1399406643.db2.gz KBIWHRNUEQLLIU-CQSZACIVSA-N 0 1 380.429 3.183 20 30 GGEDMN Cc1csc(C(C#N)C(=O)COC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)n1 ZINC000021752881 1399406647 /nfs/dbraw/zinc/40/66/47/1399406647.db2.gz KBIWHRNUEQLLIU-CQSZACIVSA-N 0 1 380.429 3.183 20 30 GGEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000022803369 1399506423 /nfs/dbraw/zinc/50/64/23/1399506423.db2.gz JOYASDAMOQVSIV-HSZRJFAPSA-N 0 1 378.520 3.012 20 30 GGEDMN N#Cc1ccc(CN2CCCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 ZINC000022850563 1399510691 /nfs/dbraw/zinc/51/06/91/1399510691.db2.gz APSWQGZFANNSAP-UHFFFAOYSA-N 0 1 379.489 3.378 20 30 GGEDMN N#Cc1ccc(CN2CCCN(C(=O)CCCOc3ccccc3)CC2)cc1 ZINC000023450900 1399561979 /nfs/dbraw/zinc/56/19/79/1399561979.db2.gz CLSONUIYOKSART-UHFFFAOYSA-N 0 1 377.488 3.452 20 30 GGEDMN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000024049795 1399598433 /nfs/dbraw/zinc/59/84/33/1399598433.db2.gz HWZNWWOHJZWCFA-FQEVSTJZSA-N 0 1 397.523 3.283 20 30 GGEDMN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000024049793 1399598608 /nfs/dbraw/zinc/59/86/08/1399598608.db2.gz HWZNWWOHJZWCFA-HXUWFJFHSA-N 0 1 397.523 3.283 20 30 GGEDMN COc1ccc(Cl)cc1CC(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000024219081 1399612933 /nfs/dbraw/zinc/61/29/33/1399612933.db2.gz RONSCJYFOSXPEB-CYBMUJFWSA-N 0 1 378.837 3.076 20 30 GGEDMN COc1ccc(Cl)cc1CC(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000024219081 1399612940 /nfs/dbraw/zinc/61/29/40/1399612940.db2.gz RONSCJYFOSXPEB-CYBMUJFWSA-N 0 1 378.837 3.076 20 30 GGEDMN CCCCN1C(=O)N=NC1S[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000024303321 1399619612 /nfs/dbraw/zinc/61/96/12/1399619612.db2.gz DKQVVYVLYVHXDW-FVRSWCFKSA-N 0 1 379.530 3.195 20 30 GGEDMN C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 ZINC000055651426 1407042543 /nfs/dbraw/zinc/04/25/43/1407042543.db2.gz OUFIOUUFHRYYOU-OAHLLOKOSA-N 0 1 383.473 3.374 20 30 GGEDMN N#Cc1cnn(-c2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)c1N ZINC000024578291 1399645629 /nfs/dbraw/zinc/64/56/29/1399645629.db2.gz JSOYXTJCKHKCOR-UHFFFAOYSA-N 0 1 389.440 3.280 20 30 GGEDMN C=CCNC(=O)NC(=O)[C@H](C)N1CCC(CCc2ccc(OCC)cc2)CC1 ZINC000024814286 1399675445 /nfs/dbraw/zinc/67/54/45/1399675445.db2.gz AXRUNFHWRDPYGY-KRWDZBQOSA-N 0 1 387.524 3.130 20 30 GGEDMN C=CCNC(=O)c1ccc(NS(=O)(=O)c2cccc3cc(C)cnc32)cc1 ZINC000055664100 1407048156 /nfs/dbraw/zinc/04/81/56/1407048156.db2.gz QNGMQPDMHAHDIL-UHFFFAOYSA-N 0 1 381.457 3.260 20 30 GGEDMN CN(Cc1ccccc1OC(F)(F)F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000025260502 1399782240 /nfs/dbraw/zinc/78/22/40/1399782240.db2.gz HRUNFTUQQAVYHI-INIZCTEOSA-N 0 1 380.366 3.329 20 30 GGEDMN N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000026018375 1399854223 /nfs/dbraw/zinc/85/42/23/1399854223.db2.gz UOYDAWQJPGXMPM-UHFFFAOYSA-N 0 1 375.407 3.050 20 30 GGEDMN COCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CCCC1 ZINC000026447745 1399890957 /nfs/dbraw/zinc/89/09/57/1399890957.db2.gz JOWUTHBJLXOXLQ-UHFFFAOYSA-N 0 1 398.507 3.447 20 30 GGEDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000026568082 1399899862 /nfs/dbraw/zinc/89/98/62/1399899862.db2.gz YEKJAMQOZCLLKT-QGZVFWFLSA-N 0 1 378.476 3.025 20 30 GGEDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000026568086 1399899957 /nfs/dbraw/zinc/89/99/57/1399899957.db2.gz YEKJAMQOZCLLKT-KRWDZBQOSA-N 0 1 378.476 3.025 20 30 GGEDMN Cc1oc(NC(=O)[C@H](C)N2CCN(Cc3ccccc3C)CC2)c(C#N)c1C ZINC000026762590 1399931480 /nfs/dbraw/zinc/93/14/80/1399931480.db2.gz LDXDJSGNVZZKRT-KRWDZBQOSA-N 0 1 380.492 3.221 20 30 GGEDMN COc1ccccc1[C@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)N1CCCC1 ZINC000027570271 1400059103 /nfs/dbraw/zinc/05/91/03/1400059103.db2.gz DMOWKLDQOKEJHC-UWJYYQICSA-N 0 1 393.487 3.287 20 30 GGEDMN CN(C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000027571451 1400059607 /nfs/dbraw/zinc/05/96/07/1400059607.db2.gz CLNZVHNRCLFRSQ-GOSISDBHSA-N 0 1 382.508 3.022 20 30 GGEDMN COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)N1CCCC1 ZINC000027570261 1400059701 /nfs/dbraw/zinc/05/97/01/1400059701.db2.gz DMOWKLDQOKEJHC-DYESRHJHSA-N 0 1 393.487 3.287 20 30 GGEDMN COc1ccc([C@H](CNC(=O)COc2ccccc2C#N)N2CCCCC2)cc1 ZINC000027667821 1400073538 /nfs/dbraw/zinc/07/35/38/1400073538.db2.gz APMPIPPHJRPUGS-NRFANRHFSA-N 0 1 393.487 3.289 20 30 GGEDMN Cc1cc(NC(=O)CSCC(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)no1 ZINC000028789180 1400196980 /nfs/dbraw/zinc/19/69/80/1400196980.db2.gz GYBDCNYIZGJMOS-UHFFFAOYSA-N 0 1 386.437 3.036 20 30 GGEDMN N#Cc1ccc(NC(=O)CCN2CCN(c3ccc(O)cc3)CC2)cc1Cl ZINC000028843379 1400202747 /nfs/dbraw/zinc/20/27/47/1400202747.db2.gz QMACJRSSJHVCBR-UHFFFAOYSA-N 0 1 384.867 3.068 20 30 GGEDMN Cc1cccc(C)c1NC(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028960386 1400216820 /nfs/dbraw/zinc/21/68/20/1400216820.db2.gz FKICLTCWHQNPJT-UHFFFAOYSA-N 0 1 376.504 3.322 20 30 GGEDMN C[C@@H](C(=O)N1CCc2ccccc21)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961469 1400216827 /nfs/dbraw/zinc/21/68/27/1400216827.db2.gz OQKVIRSUVURVCT-IBGZPJMESA-N 0 1 388.515 3.044 20 30 GGEDMN Cc1cccc(C(=O)N2CCCN(CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000029848697 1400362840 /nfs/dbraw/zinc/36/28/40/1400362840.db2.gz LMMKTFVNWXJMIC-UHFFFAOYSA-N 0 1 396.516 3.105 20 30 GGEDMN CCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000042741845 1400407262 /nfs/dbraw/zinc/40/72/62/1400407262.db2.gz QJQFWJLRFIUJKQ-CQSZACIVSA-N 0 1 394.431 3.018 20 30 GGEDMN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741938 1400407339 /nfs/dbraw/zinc/40/73/39/1400407339.db2.gz GONUBJHVXXYPED-SFHVURJKSA-N 0 1 392.503 3.416 20 30 GGEDMN CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(Cl)c1F ZINC000056065757 1407189095 /nfs/dbraw/zinc/18/90/95/1407189095.db2.gz HFDOTYRRONXSLE-UHFFFAOYSA-N 0 1 395.887 3.103 20 30 GGEDMN COCCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056171856 1407239743 /nfs/dbraw/zinc/23/97/43/1407239743.db2.gz XVRMAWFMFIOCFA-HOTGVXAUSA-N 0 1 397.475 3.270 20 30 GGEDMN COc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000043267628 1403735925 /nfs/dbraw/zinc/73/59/25/1403735925.db2.gz NRUYRUZGUBZWNP-UHFFFAOYSA-N 0 1 394.475 3.315 20 30 GGEDMN Cc1cccc(N2CCN(CCCNC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000043329506 1403748379 /nfs/dbraw/zinc/74/83/79/1403748379.db2.gz XCWHSKVYSSRBCX-UHFFFAOYSA-N 0 1 377.492 3.201 20 30 GGEDMN N#Cc1ccc(CN2CCCN(C(=O)NCCc3ccc(F)cc3)CC2)cc1 ZINC000044254858 1403909503 /nfs/dbraw/zinc/90/95/03/1403909503.db2.gz ITDACTSDNLDSHN-UHFFFAOYSA-N 0 1 380.467 3.157 20 30 GGEDMN Cc1cc(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000045346281 1404103113 /nfs/dbraw/zinc/10/31/13/1404103113.db2.gz MCNADILVLPUQFH-UHFFFAOYSA-N 0 1 380.467 3.423 20 30 GGEDMN CN(C)[C@H](CNC(=O)NCCSCc1ccccc1C#N)c1ccsc1 ZINC000045572275 1404149107 /nfs/dbraw/zinc/14/91/07/1404149107.db2.gz VYFLDOIAEWTHCZ-GOSISDBHSA-N 0 1 388.562 3.455 20 30 GGEDMN CN(C)[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccsc1 ZINC000046346197 1404376235 /nfs/dbraw/zinc/37/62/35/1404376235.db2.gz XXQMFJDRBOXZND-FQEVSTJZSA-N 0 1 397.548 3.144 20 30 GGEDMN Cc1ccc(C(=O)CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047010380 1404673743 /nfs/dbraw/zinc/67/37/43/1404673743.db2.gz SCIASKRCQHSYAU-UHFFFAOYSA-N 0 1 377.488 3.420 20 30 GGEDMN Cc1ccc(C(=O)CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000047011613 1404674109 /nfs/dbraw/zinc/67/41/09/1404674109.db2.gz RFQICPDDISHPBK-UHFFFAOYSA-N 0 1 383.517 3.482 20 30 GGEDMN Cc1csc([C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 ZINC000047219520 1404751646 /nfs/dbraw/zinc/75/16/46/1404751646.db2.gz BTQCYNOECHQCOM-INIZCTEOSA-N 0 1 389.502 3.116 20 30 GGEDMN Cc1csc(C(C#N)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 ZINC000047219520 1404751653 /nfs/dbraw/zinc/75/16/53/1404751653.db2.gz BTQCYNOECHQCOM-INIZCTEOSA-N 0 1 389.502 3.116 20 30 GGEDMN CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000047281166 1404785569 /nfs/dbraw/zinc/78/55/69/1404785569.db2.gz GRHIBTRYPPSEFN-UHFFFAOYSA-N 0 1 395.887 3.103 20 30 GGEDMN N#CC(C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1nc2ccccc2[nH]1 ZINC000048813735 1405296648 /nfs/dbraw/zinc/29/66/48/1405296648.db2.gz JIXXPDQBFFGGHK-WFASDCNBSA-N 0 1 378.819 3.446 20 30 GGEDMN C[C@H]1CN(Cc2ccc(CNC(=O)NCc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000048827244 1405300380 /nfs/dbraw/zinc/30/03/80/1405300380.db2.gz GRLDHXGTPLYNRT-ROUUACIJSA-N 0 1 392.503 3.167 20 30 GGEDMN N#Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1Cl ZINC000048852730 1405308727 /nfs/dbraw/zinc/30/87/27/1405308727.db2.gz LUBRTGJSSSMFBB-LJQANCHMSA-N 0 1 396.878 3.103 20 30 GGEDMN Cc1cccc(O[C@H](C)C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000049392534 1405375037 /nfs/dbraw/zinc/37/50/37/1405375037.db2.gz XWLZVSSOTHEBSQ-PBHICJAKSA-N 0 1 388.431 3.150 20 30 GGEDMN N#CC(C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccn1 ZINC000049458063 1405379941 /nfs/dbraw/zinc/37/99/41/1405379941.db2.gz UFCZJLBGBLESNU-ZBFHGGJFSA-N 0 1 387.361 3.325 20 30 GGEDMN N#Cc1ccc(CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000049971266 1405437454 /nfs/dbraw/zinc/43/74/54/1405437454.db2.gz IQQXZGHMERTZKD-UHFFFAOYSA-N 0 1 393.516 3.420 20 30 GGEDMN N#CC(C(=O)CCCNC(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCC1 ZINC000050678888 1405622679 /nfs/dbraw/zinc/62/26/79/1405622679.db2.gz AQNVLTGUJZWKTC-KRWDZBQOSA-N 0 1 389.883 3.008 20 30 GGEDMN N#CC(C(=O)Cc1csc(Cc2ccccc2)n1)C(=O)NC1CCCCC1 ZINC000050685326 1405624042 /nfs/dbraw/zinc/62/40/42/1405624042.db2.gz PPXMSKRYORZNLG-GOSISDBHSA-N 0 1 381.501 3.434 20 30 GGEDMN C=CCc1cc(CNC(=O)c2c[nH]c3ccccc3c2=O)cc(OC)c1OC ZINC000050860118 1405668467 /nfs/dbraw/zinc/66/84/67/1405668467.db2.gz LURUBAOBKAAEKL-UHFFFAOYSA-N 0 1 378.428 3.204 20 30 GGEDMN CCCCNC(=O)[C@H]1CCCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000051059891 1405717035 /nfs/dbraw/zinc/71/70/35/1405717035.db2.gz QCRYROIABKYNSZ-FQEVSTJZSA-N 0 1 398.551 3.178 20 30 GGEDMN CCCCNC(=O)[C@H]1CCCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000051062599 1405717852 /nfs/dbraw/zinc/71/78/52/1405717852.db2.gz BDFZFVWCJQQDCX-FQEVSTJZSA-N 0 1 398.551 3.178 20 30 GGEDMN N#Cc1ccc(CN2CCCN(Cc3csc(-c4ncccn4)n3)CC2)cc1 ZINC000051181025 1405738396 /nfs/dbraw/zinc/73/83/96/1405738396.db2.gz FVFAFQNIOUMVSJ-UHFFFAOYSA-N 0 1 390.516 3.180 20 30 GGEDMN N#Cc1ccc(CN2CCCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000051180951 1405738429 /nfs/dbraw/zinc/73/84/29/1405738429.db2.gz RPXSLJKOFJDIJK-UHFFFAOYSA-N 0 1 387.487 3.240 20 30 GGEDMN COc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000051181004 1405738534 /nfs/dbraw/zinc/73/85/34/1405738534.db2.gz JYQPSWVWASOSDR-UHFFFAOYSA-N 0 1 380.448 3.183 20 30 GGEDMN N#Cc1ccc(OCCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 ZINC000051286114 1405776575 /nfs/dbraw/zinc/77/65/75/1405776575.db2.gz WQWDSURRLKOBLS-UHFFFAOYSA-N 0 1 376.460 3.307 20 30 GGEDMN CCN(CCCOc1ccc(C#N)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000051321952 1405785725 /nfs/dbraw/zinc/78/57/25/1405785725.db2.gz OOXLHIDTDMQKQL-UHFFFAOYSA-N 0 1 394.475 3.246 20 30 GGEDMN N#Cc1ccc(CN2CCN(CCC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000051621466 1405840305 /nfs/dbraw/zinc/84/03/05/1405840305.db2.gz PSVCDHXAHHFFJB-UHFFFAOYSA-N 0 1 382.895 3.358 20 30 GGEDMN N#CC(C(=O)c1cc2c([nH]c1=O)CCCC2=O)c1nc2ccccc2n1C(F)F ZINC000051655990 1405845864 /nfs/dbraw/zinc/84/58/64/1405845864.db2.gz FURIWZYHKVBEPD-GFCCVEGCSA-N 0 1 396.353 3.129 20 30 GGEDMN N#C[C@H](C(=O)c1cc2c([nH]c1=O)CCCC2=O)c1nc2ccccc2n1C(F)F ZINC000051655990 1405845868 /nfs/dbraw/zinc/84/58/68/1405845868.db2.gz FURIWZYHKVBEPD-GFCCVEGCSA-N 0 1 396.353 3.129 20 30 GGEDMN N#CC(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2n1C(F)F ZINC000051655424 1405845906 /nfs/dbraw/zinc/84/59/06/1405845906.db2.gz QFTXUWTYIPANIX-JSGCOSHPSA-N 0 1 398.369 3.249 20 30 GGEDMN N#CC(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2n1C(F)F ZINC000051655425 1405846123 /nfs/dbraw/zinc/84/61/23/1405846123.db2.gz QFTXUWTYIPANIX-GXTWGEPZSA-N 0 1 398.369 3.249 20 30 GGEDMN CCCN(CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccc(C#N)cc1 ZINC000051855302 1405876319 /nfs/dbraw/zinc/87/63/19/1405876319.db2.gz LHPIJCJNLSUFQE-QFIPXVFZSA-N 0 1 390.531 3.413 20 30 GGEDMN CCc1nc(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)sc1C ZINC000052409043 1406043966 /nfs/dbraw/zinc/04/39/66/1406043966.db2.gz SKQJVQSOBHGFMA-UHFFFAOYSA-N 0 1 397.548 3.032 20 30 GGEDMN COc1ccccc1-c1n[nH]c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)n1 ZINC000052778730 1406167178 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GGEDMN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)CC(C)(C)O ZINC000114204490 1412393366 /nfs/dbraw/zinc/39/33/66/1412393366.db2.gz KWZGDALRNMEPBU-UHFFFAOYSA-N 0 1 386.471 3.136 20 30 GGEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000114673572 1412493488 /nfs/dbraw/zinc/49/34/88/1412493488.db2.gz JGZYSEPXNCUYDQ-UHFFFAOYSA-N 0 1 384.461 3.295 20 30 GGEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000114747454 1412516785 /nfs/dbraw/zinc/51/67/85/1412516785.db2.gz NMSNLFRUFYHBEE-JKSUJKDBSA-N 0 1 376.460 3.363 20 30 GGEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000114747456 1412517276 /nfs/dbraw/zinc/51/72/76/1412517276.db2.gz NMSNLFRUFYHBEE-HZPDHXFCSA-N 0 1 376.460 3.363 20 30 GGEDMN C#CCN1CCC(C(=O)N(CCc2ccc(OC)c(OC)c2)CC(C)C)CC1 ZINC000115218852 1412613485 /nfs/dbraw/zinc/61/34/85/1412613485.db2.gz YXKMTHKFUKBQHJ-UHFFFAOYSA-N 0 1 386.536 3.076 20 30 GGEDMN N#Cc1ccc([C@H](C(N)=O)N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000115532506 1412702497 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20 30 GGEDMN CN(CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)[C@@H]1CCSC1 ZINC000119014323 1413304169 /nfs/dbraw/zinc/30/41/69/1413304169.db2.gz UIKLLAPRVYGUHK-TZIWHRDSSA-N 0 1 395.528 3.384 20 30 GGEDMN CN(CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)[C@@H]1CCSC1 ZINC000119014204 1413304594 /nfs/dbraw/zinc/30/45/94/1413304594.db2.gz UIKLLAPRVYGUHK-CTNGQTDRSA-N 0 1 395.528 3.384 20 30 GGEDMN COC(=O)[C@H](C)[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000177411018 1428724734 /nfs/dbraw/zinc/72/47/34/1428724734.db2.gz YONHBMWOYNAZDJ-YJYMSZOUSA-N 0 1 385.851 3.290 20 30 GGEDMN Cc1cccc(N2CCN(CCCNC(=O)c3c(F)cc(C#N)cc3F)CC2)c1 ZINC000119312770 1413408027 /nfs/dbraw/zinc/40/80/27/1413408027.db2.gz FGMNZIGQNZXQQB-UHFFFAOYSA-N 0 1 398.457 3.087 20 30 GGEDMN Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000119431661 1413445601 /nfs/dbraw/zinc/44/56/01/1413445601.db2.gz XYWPMKSKIJCJSG-SFHVURJKSA-N 0 1 392.503 3.025 20 30 GGEDMN C#CCOCCC(=O)Nc1ccc(CN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000119478431 1413460472 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30 GGEDMN C=CCN(CCc1ccccc1)C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000120552111 1413841851 /nfs/dbraw/zinc/84/18/51/1413841851.db2.gz GLGQPOZLBIZNQP-UHFFFAOYSA-N 0 1 391.475 3.421 20 30 GGEDMN N#Cc1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1Cl ZINC000120744437 1413890579 /nfs/dbraw/zinc/89/05/79/1413890579.db2.gz XJIRKWDROKNYMJ-FXAWDEMLSA-N 0 1 398.894 3.216 20 30 GGEDMN C#CCOc1ccc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000120767722 1413897289 /nfs/dbraw/zinc/89/72/89/1413897289.db2.gz JUVCRALSPODQAS-KRWDZBQOSA-N 0 1 378.476 3.441 20 30 GGEDMN COc1cc(C#N)ccc1CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000120798521 1413906432 /nfs/dbraw/zinc/90/64/32/1413906432.db2.gz LYEJTOVGAYPTHX-UHFFFAOYSA-N 0 1 375.432 3.391 20 30 GGEDMN C=CCOc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1OC ZINC000120850781 1413925757 /nfs/dbraw/zinc/92/57/57/1413925757.db2.gz IBQOVPAFWGVFSJ-MRXNPFEDSA-N 0 1 382.464 3.275 20 30 GGEDMN Cc1ccnc(N2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c1 ZINC000120888766 1413938775 /nfs/dbraw/zinc/93/87/75/1413938775.db2.gz LNUVZKPKFGOUKY-UHFFFAOYSA-N 0 1 386.503 3.489 20 30 GGEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000120955823 1413959202 /nfs/dbraw/zinc/95/92/02/1413959202.db2.gz JTVAVVHCAZJIOB-JKSUJKDBSA-N 0 1 392.846 3.456 20 30 GGEDMN N#C[C@H](C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1nc2ccccc2[nH]1 ZINC000120964870 1413961820 /nfs/dbraw/zinc/96/18/20/1413961820.db2.gz OLBHBMCBONLJER-HUUCEWRRSA-N 0 1 378.819 3.446 20 30 GGEDMN N#C[C@@H](C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1nc2ccccc2[nH]1 ZINC000120964335 1413961867 /nfs/dbraw/zinc/96/18/67/1413961867.db2.gz OLBHBMCBONLJER-GJZGRUSLSA-N 0 1 378.819 3.446 20 30 GGEDMN CC[C@H](C)Oc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000120995364 1413971335 /nfs/dbraw/zinc/97/13/35/1413971335.db2.gz RPSRSJCLKZVNNS-LBPRGKRZSA-N 0 1 375.406 3.445 20 30 GGEDMN C[C@H](C1CC1)N(C(=O)CON=C(N)c1ccc(N2CCCCC2)cc1)C1CC1 ZINC000177505003 1428773874 /nfs/dbraw/zinc/77/38/74/1428773874.db2.gz GVKUCHVTGCPELC-MRXNPFEDSA-N 0 1 384.524 3.103 20 30 GGEDMN COCCN1[C@H](C)CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1C ZINC000121107911 1414010491 /nfs/dbraw/zinc/01/04/91/1414010491.db2.gz IUPCTTMRMJQJBD-HDICACEKSA-N 0 1 377.488 3.406 20 30 GGEDMN CNC(=O)c1ccc(CN(C)Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000121148202 1414024728 /nfs/dbraw/zinc/02/47/28/1414024728.db2.gz DNCFOWSLZQSEBO-UHFFFAOYSA-N 0 1 387.487 3.455 20 30 GGEDMN COc1cc(C#N)ccc1CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000121310258 1414079818 /nfs/dbraw/zinc/07/98/18/1414079818.db2.gz SDGZKAQLVMENJD-UHFFFAOYSA-N 0 1 382.439 3.492 20 30 GGEDMN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000121458614 1414132790 /nfs/dbraw/zinc/13/27/90/1414132790.db2.gz GPLVRRIRXSDBFQ-LLVKDONJSA-N 0 1 385.859 3.193 20 30 GGEDMN N#Cc1ccccc1COc1cccc(CN2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000121502168 1414153123 /nfs/dbraw/zinc/15/31/23/1414153123.db2.gz NCBLJVJBQOUTCG-JOCHJYFZSA-N 0 1 375.472 3.380 20 30 GGEDMN COc1ccc(CN[C@H]2CCCN(CC(F)(F)F)C2=O)cc1OCCCC#N ZINC000121548441 1414172470 /nfs/dbraw/zinc/17/24/70/1414172470.db2.gz MGQALFFTSWVNLH-HNNXBMFYSA-N 0 1 399.413 3.021 20 30 GGEDMN COc1ccc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1OCCCC#N ZINC000121548277 1414172953 /nfs/dbraw/zinc/17/29/53/1414172953.db2.gz MGQALFFTSWVNLH-OAHLLOKOSA-N 0 1 399.413 3.021 20 30 GGEDMN CC(C)(C)Oc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000121699237 1414228118 /nfs/dbraw/zinc/22/81/18/1414228118.db2.gz TWUHGWAAKXYWEF-UHFFFAOYSA-N 0 1 375.406 3.445 20 30 GGEDMN C=CCn1c(CCN2CCCCC2)nn(CN2CCC3(CCC3)C2)c1=S ZINC000121918342 1414306447 /nfs/dbraw/zinc/30/64/47/1414306447.db2.gz ACAXCEYZMUNVOY-UHFFFAOYSA-N 0 1 375.586 3.462 20 30 GGEDMN N#Cc1ccccc1-c1ccc(CN(CCC(F)(F)F)C[C@H](O)CO)cc1 ZINC000122157822 1414376606 /nfs/dbraw/zinc/37/66/06/1414376606.db2.gz CXNIFHHTWMIYER-SFHVURJKSA-N 0 1 378.394 3.333 20 30 GGEDMN C=CCc1ccc(OCC(=O)NCc2ccc(CN(C)C)c(F)c2)c(OC)c1 ZINC000122177209 1414380480 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390.505 3.062 20 30 GGEDMN N#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(F)c2ncccc12 ZINC000122382585 1414440891 /nfs/dbraw/zinc/44/08/91/1414440891.db2.gz OEGJGPMQOLNAIZ-UHFFFAOYSA-N 0 1 375.356 3.216 20 30 GGEDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2OCC#N)c1C ZINC000122380473 1414441298 /nfs/dbraw/zinc/44/12/98/1414441298.db2.gz CHYVTRNTTFYLDJ-UHFFFAOYSA-N 0 1 379.369 3.054 20 30 GGEDMN CN(C)c1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000122487534 1414478858 /nfs/dbraw/zinc/47/88/58/1414478858.db2.gz UCHQELBSKWYCLH-UHFFFAOYSA-N 0 1 377.492 3.364 20 30 GGEDMN COc1ccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(OC)c1 ZINC000177620057 1428813243 /nfs/dbraw/zinc/81/32/43/1428813243.db2.gz KFFNHLSHFBZPRV-UHFFFAOYSA-N 0 1 386.351 3.395 20 30 GGEDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c(Cl)cc1F ZINC000122791530 1414565540 /nfs/dbraw/zinc/56/55/40/1414565540.db2.gz QHCXIOGEHFGCOI-UHFFFAOYSA-N 0 1 386.763 3.077 20 30 GGEDMN COc1cc(-c2nc3ccc(C#N)cc3[nH]2)ccc1OCC(=O)N1CCCC1 ZINC000123224255 1414673066 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COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)C1Cc2ccccc2C1 ZINC000138434950 1417414989 /nfs/dbraw/zinc/41/49/89/1417414989.db2.gz KUNCZJRCBKMEAR-UHFFFAOYSA-N 0 1 394.519 3.051 20 30 GGEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCO[C@@H](C)[C@@H]2C)c1C#N ZINC000139194717 1417451601 /nfs/dbraw/zinc/45/16/01/1417451601.db2.gz JXAALMKYOUOUJX-IRXDYDNUSA-N 0 1 384.480 3.056 20 30 GGEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000139574755 1417464042 /nfs/dbraw/zinc/46/40/42/1417464042.db2.gz SALHKBYPLQKJMJ-ROUUACIJSA-N 0 1 382.508 3.068 20 30 GGEDMN Cc1noc(Cl)c1CCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000139613917 1417466712 /nfs/dbraw/zinc/46/67/12/1417466712.db2.gz WGVJMGAXEFICRT-UHFFFAOYSA-N 0 1 386.883 3.175 20 30 GGEDMN N#Cc1ccc(OCCN2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000141682357 1417549846 /nfs/dbraw/zinc/54/98/46/1417549846.db2.gz WVNGCGIILCESFA-UHFFFAOYSA-N 0 1 383.879 3.439 20 30 GGEDMN COc1ccc2[nH]cc(C3CCN(CC(=O)N(CCC#N)CCC#N)CC3)c2c1 ZINC000142098396 1417572285 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387.827 3.297 20 30 GGEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000151096754 1417871657 /nfs/dbraw/zinc/87/16/57/1417871657.db2.gz FBKHUMBMFDFIQM-DYZYQPBXSA-N 0 1 379.436 3.285 20 30 GGEDMN COc1ccccc1[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CCCC1 ZINC000151225886 1417897636 /nfs/dbraw/zinc/89/76/36/1417897636.db2.gz QEEWCWLRQNQTCO-SFHVURJKSA-N 0 1 385.414 3.412 20 30 GGEDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(F)cc1C#N ZINC000151740351 1418075501 /nfs/dbraw/zinc/07/55/01/1418075501.db2.gz VYGNVDIOWMYCBG-MJGOQNOKSA-N 0 1 385.464 3.002 20 30 GGEDMN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1 ZINC000152057839 1418132994 /nfs/dbraw/zinc/13/29/94/1418132994.db2.gz YLMHGJAPBSAKGA-FQEVSTJZSA-N 0 1 389.434 3.238 20 30 GGEDMN N#Cc1ccc(NC(=O)CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000152152744 1418159016 /nfs/dbraw/zinc/15/90/16/1418159016.db2.gz LULMNPQWCZTUSS-AWEZNQCLSA-N 0 1 384.871 3.025 20 30 GGEDMN N#Cc1ccc(NC(=O)CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1Cl ZINC000152152744 1418159021 /nfs/dbraw/zinc/15/90/21/1418159021.db2.gz LULMNPQWCZTUSS-AWEZNQCLSA-N 0 1 384.871 3.025 20 30 GGEDMN Cc1sc(NC(=O)CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(C#N)c1C ZINC000152279864 1418192930 /nfs/dbraw/zinc/19/29/30/1418192930.db2.gz SUOXWGHGAGMGLV-CQSZACIVSA-N 0 1 384.509 3.050 20 30 GGEDMN Cc1sc(NC(=O)CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(C#N)c1C ZINC000152279864 1418192936 /nfs/dbraw/zinc/19/29/36/1418192936.db2.gz SUOXWGHGAGMGLV-CQSZACIVSA-N 0 1 384.509 3.050 20 30 GGEDMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(C#N)c2C)c(Cl)cc1F ZINC000179027271 1429245539 /nfs/dbraw/zinc/24/55/39/1429245539.db2.gz WMMZDYCNOCDSDP-UHFFFAOYSA-N 0 1 382.800 3.247 20 30 GGEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000179026824 1429245659 /nfs/dbraw/zinc/24/56/59/1429245659.db2.gz VTSGSKZFQKXXJJ-UHFFFAOYSA-N 0 1 396.222 3.338 20 30 GGEDMN COc1ccc(CON=C(N)c2ccc(N3CCC(O)CC3)cc2)cc1Cl ZINC000179195502 1429291190 /nfs/dbraw/zinc/29/11/90/1429291190.db2.gz LTDBTUPCJHQRDE-UHFFFAOYSA-N 0 1 389.883 3.147 20 30 GGEDMN N#Cc1ccc(C2=CC[N@@H+](CCCOc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384642 1429335530 /nfs/dbraw/zinc/33/55/30/1429335530.db2.gz CZUUEYMIZVCNBG-UHFFFAOYSA-N 0 1 386.459 3.297 20 30 GGEDMN Fc1ccc(-c2nnn[n-]2)cc1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000737649964 1429340383 /nfs/dbraw/zinc/34/03/83/1429340383.db2.gz MJMWBWVTXOJEPI-UHFFFAOYSA-N 0 1 383.271 3.323 20 30 GGEDMN CC(C)N(CCC(=O)N(C)CCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000179384585 1429352856 /nfs/dbraw/zinc/35/28/56/1429352856.db2.gz UITFPRFZEADVNB-UHFFFAOYSA-N 0 1 389.887 3.363 20 30 GGEDMN CN(CCC#N)c1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000179590244 1429456496 /nfs/dbraw/zinc/45/64/96/1429456496.db2.gz ZMRWUYIINFIXFG-UHFFFAOYSA-N 0 1 379.464 3.267 20 30 GGEDMN N#CC(C(=O)c1ccc2ncccc2c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000179607251 1429468484 /nfs/dbraw/zinc/46/84/84/1429468484.db2.gz GKTJEKJJOAUQJN-MRXNPFEDSA-N 0 1 381.399 3.236 20 30 GGEDMN N#CC(C(=O)c1cnc2ccc(F)cc2c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000179607284 1429468622 /nfs/dbraw/zinc/46/86/22/1429468622.db2.gz UNNYWQZMBKDADC-MRXNPFEDSA-N 0 1 399.389 3.375 20 30 GGEDMN N#C[C@H](C(=O)c1cnc2ccc(F)cc2c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000179607284 1429468630 /nfs/dbraw/zinc/46/86/30/1429468630.db2.gz UNNYWQZMBKDADC-MRXNPFEDSA-N 0 1 399.389 3.375 20 30 GGEDMN CCC[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CCN1Cc1ccccc1 ZINC000179638403 1429483958 /nfs/dbraw/zinc/48/39/58/1429483958.db2.gz YBOYQCZVBNDPOJ-IBGZPJMESA-N 0 1 380.496 3.315 20 30 GGEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179688169 1429507852 /nfs/dbraw/zinc/50/78/52/1429507852.db2.gz CWTGMJJTLOBNBQ-VGSWGCGISA-N 0 1 380.492 3.366 20 30 GGEDMN N#Cc1c2c(sc1NC(=O)CCN(CCO)Cc1cccnc1)CCCCC2 ZINC000152333817 1422075151 /nfs/dbraw/zinc/07/51/51/1422075151.db2.gz QKGTVQPSKNRCAV-UHFFFAOYSA-N 0 1 398.532 3.107 20 30 GGEDMN C=CCn1c(CCN2CCCCC2)nn(CN2CCO[C@H](CCC)C2)c1=S ZINC000152521154 1422129853 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N#Cc1ccc(-c2ccncc2)nc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164726375 720429090 /nfs/dbraw/zinc/42/90/90/720429090.db2.gz BVLKHXLFWJJEMQ-VXKWHMMOSA-N 0 1 382.471 3.263 20 30 GGEDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)c(F)cc1C#N)[C@H]2C ZINC001164853475 720923010 /nfs/dbraw/zinc/92/30/10/720923010.db2.gz AXWQTOLYHVCYTM-LBPRGKRZSA-N 0 1 376.867 3.364 20 30 GGEDMN CC(C)N(C)Cc1cnc2n1CCN(c1ncc3c(c1C#N)CCCC3)[C@H]2C ZINC001164864436 721021737 /nfs/dbraw/zinc/02/17/37/721021737.db2.gz XNTKRQJLBXOGKG-INIZCTEOSA-N 0 1 378.524 3.450 20 30 GGEDMN N#Cc1cc(F)c(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900516 721510244 /nfs/dbraw/zinc/51/02/44/721510244.db2.gz RRAGQBXDDHJIAB-GOEBONIOSA-N 0 1 390.821 3.227 20 30 GGEDMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@H]2CCCO[C@H]12 ZINC001164808861 721576641 /nfs/dbraw/zinc/57/66/41/721576641.db2.gz WAZDUQQFZYVQAZ-ZDXQCDESSA-N 0 1 399.498 3.370 20 30 GGEDMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@H]2CCCO[C@@H]12 ZINC001164808859 721576663 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Cc1ccc(CN2CCOC3(CCN(c4cc(C#N)cc(C)n4)CC3)C2)cc1 ZINC001164940221 721932781 /nfs/dbraw/zinc/93/27/81/721932781.db2.gz SOYBFCDZNWAXND-UHFFFAOYSA-N 0 1 376.504 3.442 20 30 GGEDMN N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995793 722197636 /nfs/dbraw/zinc/19/76/36/722197636.db2.gz YAWLKJJFEXWQRV-HXUWFJFHSA-N 0 1 381.411 3.245 20 30 GGEDMN N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164993925 722198860 /nfs/dbraw/zinc/19/88/60/722198860.db2.gz JKSPFANRJJQOND-HXUWFJFHSA-N 0 1 381.411 3.245 20 30 GGEDMN CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823962795 946527513 /nfs/dbraw/zinc/52/75/13/946527513.db2.gz OVYDUWKEQUKGDX-UHFFFAOYSA-N 0 1 388.363 3.036 20 30 GGEDMN C=CCN(CC1CCCCC1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC001573340959 947525180 /nfs/dbraw/zinc/52/51/80/947525180.db2.gz FMWDZQWSOJZTPV-INIZCTEOSA-N 0 1 386.525 3.102 20 30 GGEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589277604 953467950 /nfs/dbraw/zinc/46/79/50/953467950.db2.gz AYHWCPJUCMUYOA-RDBSUJKOSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589277604 953467964 /nfs/dbraw/zinc/46/79/64/953467964.db2.gz AYHWCPJUCMUYOA-RDBSUJKOSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589279997 953486195 /nfs/dbraw/zinc/48/61/95/953486195.db2.gz SQOBIJLPHGBNJJ-KFWWJZLASA-N 0 1 375.494 3.062 20 30 GGEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589279997 953486203 /nfs/dbraw/zinc/48/62/03/953486203.db2.gz SQOBIJLPHGBNJJ-KFWWJZLASA-N 0 1 375.494 3.062 20 30 GGEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001589353733 954110081 /nfs/dbraw/zinc/11/00/81/954110081.db2.gz XFZBYSWEIYWLBG-DVOMOZLQSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001589353733 954110085 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LKWWQRYWMXCJIA-ZNMIVQPWSA-N 0 1 375.494 3.062 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001573362343 958598744 /nfs/dbraw/zinc/59/87/44/958598744.db2.gz ACPYEFSFZIXAPA-YWZLYKJASA-N 0 1 395.434 3.145 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001573362343 958598760 /nfs/dbraw/zinc/59/87/60/958598760.db2.gz ACPYEFSFZIXAPA-YWZLYKJASA-N 0 1 395.434 3.145 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001588545000 958991048 /nfs/dbraw/zinc/99/10/48/958991048.db2.gz GDRKAGZUFWSUDH-JKSUJKDBSA-N 0 1 375.444 3.038 20 30 GGEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588545165 958994803 /nfs/dbraw/zinc/99/48/03/958994803.db2.gz OMHBAZUEDJOYQZ-OXQOHEQNSA-N 0 1 377.444 3.006 20 30 GGEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588545165 958994807 /nfs/dbraw/zinc/99/48/07/958994807.db2.gz OMHBAZUEDJOYQZ-OXQOHEQNSA-N 0 1 377.444 3.006 20 30 GGEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001573577644 959338965 /nfs/dbraw/zinc/33/89/65/959338965.db2.gz XRPJHIPPAZNIIF-ZNMIVQPWSA-N 0 1 375.494 3.204 20 30 GGEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001573577644 959338979 /nfs/dbraw/zinc/33/89/79/959338979.db2.gz XRPJHIPPAZNIIF-ZNMIVQPWSA-N 0 1 375.494 3.204 20 30 GGEDMN C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001574014124 961936232 /nfs/dbraw/zinc/93/62/32/961936232.db2.gz REZJAGNXOXHABN-UHFFFAOYSA-N 0 1 397.475 3.101 20 30 GGEDMN C#CC[N@@H+](CC(=O)NCc1ccc(NC(=O)[O-])cc1)[C@H]1CCCc2ccccc21 ZINC001573311114 962694489 /nfs/dbraw/zinc/69/44/89/962694489.db2.gz HYSBFJKYJLBCJA-NRFANRHFSA-N 0 1 391.471 3.406 20 30 GGEDMN C#CC[N@H+](CC(=O)NCc1ccc(NC(=O)[O-])cc1)[C@H]1CCCc2ccccc21 ZINC001573311114 962694507 /nfs/dbraw/zinc/69/45/07/962694507.db2.gz HYSBFJKYJLBCJA-NRFANRHFSA-N 0 1 391.471 3.406 20 30 GGEDMN C#CC[N@@H+](CC(=O)NCc1ccc(NC(=O)[O-])cc1)[C@@H]1CCCc2ccccc21 ZINC001573311118 962694832 /nfs/dbraw/zinc/69/48/32/962694832.db2.gz HYSBFJKYJLBCJA-OAQYLSRUSA-N 0 1 391.471 3.406 20 30 GGEDMN C#CC[N@H+](CC(=O)NCc1ccc(NC(=O)[O-])cc1)[C@@H]1CCCc2ccccc21 ZINC001573311118 962694842 /nfs/dbraw/zinc/69/48/42/962694842.db2.gz HYSBFJKYJLBCJA-OAQYLSRUSA-N 0 1 391.471 3.406 20 30 GGEDMN C#CC[N@@H+](C[C@@H]1CCCC[C@@H]1C(=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001573311447 962703384 /nfs/dbraw/zinc/70/33/84/962703384.db2.gz QKGDSXKAMDXRIG-WMZOPIPTSA-N 0 1 378.513 3.212 20 30 GGEDMN C=C(CCC(=O)[O-])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001573332820 962845154 /nfs/dbraw/zinc/84/51/54/962845154.db2.gz SIXLSLJMLLOZTF-UHFFFAOYSA-N 0 1 384.398 3.161 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001603462420 973316046 /nfs/dbraw/zinc/31/60/46/973316046.db2.gz YOCRBKFVEFSDLH-MGPQQGTHSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001603462420 973316060 /nfs/dbraw/zinc/31/60/60/973316060.db2.gz YOCRBKFVEFSDLH-MGPQQGTHSA-N 0 1 389.521 3.258 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001592225719 977412970 /nfs/dbraw/zinc/41/29/70/977412970.db2.gz LKWWQRYWMXCJIA-SOUVJXGZSA-N 0 1 375.494 3.062 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001592225719 977412974 /nfs/dbraw/zinc/41/29/74/977412974.db2.gz LKWWQRYWMXCJIA-SOUVJXGZSA-N 0 1 375.494 3.062 20 30 GGEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001592225943 977413904 /nfs/dbraw/zinc/41/39/04/977413904.db2.gz QECFQPDZJCXGFK-QZNHQWIBSA-N 0 1 387.505 3.204 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C[C@H](C)C(=O)[O-])C1CC1 ZINC001592226476 977419549 /nfs/dbraw/zinc/41/95/49/977419549.db2.gz ZENIQNLHKUPVIT-KBPBESRZSA-N 0 1 375.494 3.204 20 30 GGEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](CCC(=O)[O-])C(C)C)c1C#N ZINC000832849541 979050655 /nfs/dbraw/zinc/05/06/55/979050655.db2.gz ISMVXHMWESIPFT-UHFFFAOYSA-N 0 1 382.464 3.089 20 30 GGEDMN C=CCCC[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000910916468 982163224 /nfs/dbraw/zinc/16/32/24/982163224.db2.gz WBMUIYGOYBWTBH-QFBILLFUSA-N 0 1 398.425 3.367 20 30 GGEDMN C#CCC[NH+]1CCN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])CC1 ZINC000911252862 982315522 /nfs/dbraw/zinc/31/55/22/982315522.db2.gz XXXZTMGIAMRJOI-UHFFFAOYSA-N 0 1 398.484 3.051 20 30 GGEDMN CC[C@@H](C)[N@H+](CC(=O)[O-])CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC001594979619 982772025 /nfs/dbraw/zinc/77/20/25/982772025.db2.gz WNQFGNAOCSKENJ-CQSZACIVSA-N 0 1 382.464 3.089 20 30 GGEDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC001594979619 982772027 /nfs/dbraw/zinc/77/20/27/982772027.db2.gz WNQFGNAOCSKENJ-CQSZACIVSA-N 0 1 382.464 3.089 20 30 GGEDMN C#CC[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001588423709 983453987 /nfs/dbraw/zinc/45/39/87/983453987.db2.gz OPKMTJBDFUDHEA-OAHLLOKOSA-N 0 1 377.853 3.047 20 30 GGEDMN C#CC[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001588469297 983501437 /nfs/dbraw/zinc/50/14/37/983501437.db2.gz CCFOKYPCUZMKEG-UHFFFAOYSA-N 0 1 378.494 3.281 20 30 GGEDMN C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001588517566 983565714 /nfs/dbraw/zinc/56/57/14/983565714.db2.gz VPNWIOPFFPTMGX-HNNXBMFYSA-N 0 1 383.473 3.031 20 30 GGEDMN C=CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001588728381 983982038 /nfs/dbraw/zinc/98/20/38/983982038.db2.gz JHLUJEYYDWRKIW-DZGCQCFKSA-N 0 1 385.245 3.185 20 30 GGEDMN C=CC[C@@H](Sc1nnc([C@@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588763595 984119437 /nfs/dbraw/zinc/11/94/37/984119437.db2.gz UNBOYNRNVNDTPF-HZPDHXFCSA-N 0 1 390.509 3.410 20 30 GGEDMN C=CC[C@H](Sc1nnc([C@@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588763589 984119450 /nfs/dbraw/zinc/11/94/50/984119450.db2.gz UNBOYNRNVNDTPF-CVEARBPZSA-N 0 1 390.509 3.410 20 30 GGEDMN CC(=[NH+]Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(N2CCOCC2)c(F)c1 ZINC001589016564 984996629 /nfs/dbraw/zinc/99/66/29/984996629.db2.gz ZEGXCFUGFKJVGF-UHFFFAOYSA-N 0 1 375.375 3.336 20 30 GGEDMN CCOC(=O)c1sc([C@@H]2CC[N@H+](Cc3cccc(C(=O)[O-])c3C#N)C2)nc1C ZINC001596756214 985134573 /nfs/dbraw/zinc/13/45/73/985134573.db2.gz PMUXLDVEGNKMQB-CQSZACIVSA-N 0 1 399.472 3.188 20 30 GGEDMN CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3C#N)C2)nc1C ZINC001596756214 985134577 /nfs/dbraw/zinc/13/45/77/985134577.db2.gz PMUXLDVEGNKMQB-CQSZACIVSA-N 0 1 399.472 3.188 20 30 GGEDMN CCOC(=O)c1sc([C@H]2CC[N@H+](Cc3cccc(C(=O)[O-])c3C#N)C2)nc1C ZINC001596756212 985134949 /nfs/dbraw/zinc/13/49/49/985134949.db2.gz PMUXLDVEGNKMQB-AWEZNQCLSA-N 0 1 399.472 3.188 20 30 GGEDMN CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3cccc(C(=O)[O-])c3C#N)C2)nc1C ZINC001596756212 985134959 /nfs/dbraw/zinc/13/49/59/985134959.db2.gz PMUXLDVEGNKMQB-AWEZNQCLSA-N 0 1 399.472 3.188 20 30 GGEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](CC(=O)[O-])C2CCCC2)c1C#N ZINC001599973368 986046466 /nfs/dbraw/zinc/04/64/66/986046466.db2.gz PMOYMMLJUNBAIT-UHFFFAOYSA-N 0 1 394.475 3.234 20 30 GGEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](CC(=O)[O-])C2CCCC2)c1C#N ZINC001599973368 986046480 /nfs/dbraw/zinc/04/64/80/986046480.db2.gz PMOYMMLJUNBAIT-UHFFFAOYSA-N 0 1 394.475 3.234 20 30 GGEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])c1C#N ZINC001599973376 986047394 /nfs/dbraw/zinc/04/73/94/986047394.db2.gz PVNDDQPMNAROLM-ZHRRBRCNSA-N 0 1 398.507 3.359 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CCC(=O)[O-])CC(C)C)c1C#N ZINC001599973502 986048882 /nfs/dbraw/zinc/04/88/82/986048882.db2.gz WLHCQKONJYMLLQ-UHFFFAOYSA-N 0 1 388.512 3.463 20 30 GGEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C[C@@H](C)C(=O)[O-])C1CC1 ZINC001589331473 986186459 /nfs/dbraw/zinc/18/64/59/986186459.db2.gz FPTYEUKNMXKVSJ-ZIAGYGMSSA-N 0 1 375.494 3.062 20 30 GGEDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[N@@H+](CCCCC(C)(C)C#N)C[C@]2(C(=O)[O-])C1 ZINC001589554178 987298432 /nfs/dbraw/zinc/29/84/32/987298432.db2.gz WTPAHMGYNUQDNG-VWKPWSFCSA-N 0 1 393.528 3.396 20 30 GGEDMN CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CC12CC(C(=O)[O-])C2 ZINC001589865666 988459045 /nfs/dbraw/zinc/45/90/45/988459045.db2.gz DWOIIXOKIGLGRT-HQHQJUQOSA-N 0 1 376.497 3.071 20 30 GGEDMN CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001589993626 988906582 /nfs/dbraw/zinc/90/65/82/988906582.db2.gz CAHQRVAWGUSBNA-UHFFFAOYSA-N 0 1 385.464 3.232 20 30 GGEDMN CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001589993626 988906588 /nfs/dbraw/zinc/90/65/88/988906588.db2.gz CAHQRVAWGUSBNA-UHFFFAOYSA-N 0 1 385.464 3.232 20 30 GGEDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2Cc1cccc(C(=O)[O-])c1C#N ZINC001590003290 988930647 /nfs/dbraw/zinc/93/06/47/988930647.db2.gz CFWBALDZRYYYPH-MSOLQXFVSA-N 0 1 385.464 3.230 20 30 GGEDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2Cc1cccc(C(=O)[O-])c1C#N ZINC001590003290 988930659 /nfs/dbraw/zinc/93/06/59/988930659.db2.gz CFWBALDZRYYYPH-MSOLQXFVSA-N 0 1 385.464 3.230 20 30 GGEDMN CC(C)(C)OC(=O)N1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@H](C(=O)[O-])C1 ZINC001590034618 989047403 /nfs/dbraw/zinc/04/74/03/989047403.db2.gz HSVGUMGTCGSNLF-INIZCTEOSA-N 0 1 379.501 3.247 20 30 GGEDMN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001590138597 989394659 /nfs/dbraw/zinc/39/46/59/989394659.db2.gz GXSSCJFOWRAQDI-DKIMLUQUSA-N 0 1 385.464 3.062 20 30 GGEDMN CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001590184988 989536544 /nfs/dbraw/zinc/53/65/44/989536544.db2.gz MVJNSOMBCGUETA-YJBOKZPZSA-N 0 1 387.480 3.311 20 30 GGEDMN COc1ccccc1NC(=O)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001599715158 991440923 /nfs/dbraw/zinc/44/09/23/991440923.db2.gz LWJUXZFQEABTNA-XLIONFOSSA-N 0 1 393.443 3.043 20 30 GGEDMN C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598436957 991835758 /nfs/dbraw/zinc/83/57/58/991835758.db2.gz LIBWABFXUCWCCX-IUODEOHRSA-N 0 1 395.278 3.173 20 30 GGEDMN C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598436957 991835766 /nfs/dbraw/zinc/83/57/66/991835766.db2.gz LIBWABFXUCWCCX-IUODEOHRSA-N 0 1 395.278 3.173 20 30 GGEDMN C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598436961 991837096 /nfs/dbraw/zinc/83/70/96/991837096.db2.gz LIBWABFXUCWCCX-WFASDCNBSA-N 0 1 395.278 3.173 20 30 GGEDMN C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598436961 991837106 /nfs/dbraw/zinc/83/71/06/991837106.db2.gz LIBWABFXUCWCCX-WFASDCNBSA-N 0 1 395.278 3.173 20 30 GGEDMN C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598437025 991837269 /nfs/dbraw/zinc/83/72/69/991837269.db2.gz LYLFMEVLAASUSY-SJORKVTESA-N 0 1 389.249 3.112 20 30 GGEDMN C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598436959 991837394 /nfs/dbraw/zinc/83/73/94/991837394.db2.gz LIBWABFXUCWCCX-SWLSCSKDSA-N 0 1 395.278 3.173 20 30 GGEDMN C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598436959 991837398 /nfs/dbraw/zinc/83/73/98/991837398.db2.gz LIBWABFXUCWCCX-SWLSCSKDSA-N 0 1 395.278 3.173 20 30 GGEDMN CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598472921 992056075 /nfs/dbraw/zinc/05/60/75/992056075.db2.gz XFTYRGBQRULFLB-UHFFFAOYSA-N 0 1 378.476 3.390 20 30 GGEDMN C[N@H+]1CCC[C@@H](NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001598594553 993485290 /nfs/dbraw/zinc/48/52/90/993485290.db2.gz PQPRMCYWIMFBBV-HXUWFJFHSA-N 0 1 377.444 3.000 20 30 GGEDMN COc1cccc([C@H]2[C@@H](NCc3cccc(C(=O)[O-])c3C#N)CC[N@@H+]2C2CC2)c1 ZINC001599667414 994752609 /nfs/dbraw/zinc/75/26/09/994752609.db2.gz NOZWSDRTHHBBKV-VXKWHMMOSA-N 0 1 391.471 3.333 20 30 GGEDMN 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Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000152657793 564967267 /nfs/dbraw/zinc/96/72/67/564967267.db2.gz LKKGSHPULDNWLH-UHFFFAOYSA-N 0 1 396.222 3.338 20 30 GGEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CCc1ccc(Br)cc1 ZINC000106861638 564990332 /nfs/dbraw/zinc/99/03/32/564990332.db2.gz RFOJNZQTZFFLOJ-KBXCAEBGSA-N 0 1 380.330 3.366 20 30 GGEDMN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000153594514 565001982 /nfs/dbraw/zinc/00/19/82/565001982.db2.gz UECZSWSLAJZTLA-UHFFFAOYSA-N 0 1 398.257 3.327 20 30 GGEDMN N#CCc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000108759437 565016435 /nfs/dbraw/zinc/01/64/35/565016435.db2.gz LYAQLEKXORXXJH-UHFFFAOYSA-N 0 1 396.222 3.224 20 30 GGEDMN N#Cc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000108759247 565016576 /nfs/dbraw/zinc/01/65/76/565016576.db2.gz YBFLUKHTLYWYTQ-UHFFFAOYSA-N 0 1 382.195 3.030 20 30 GGEDMN Cc1ccc(C#N)cc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000108759518 565016635 /nfs/dbraw/zinc/01/66/35/565016635.db2.gz OQIWAKRXSVTFBU-UHFFFAOYSA-N 0 1 396.222 3.338 20 30 GGEDMN Cc1csc(C(C#N)C(=O)c2cc(Br)c3c(c2)OCCO3)n1 ZINC000155436507 565067720 /nfs/dbraw/zinc/06/77/20/565067720.db2.gz NNHRHWQATVLCDU-JTQLQIEISA-N 0 1 379.235 3.475 20 30 GGEDMN Cc1csc(C(C#N)C(=O)c2cc(Br)c3c(c2)OCCO3)n1 ZINC000155436607 565067751 /nfs/dbraw/zinc/06/77/51/565067751.db2.gz NNHRHWQATVLCDU-SNVBAGLBSA-N 0 1 379.235 3.475 20 30 GGEDMN CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1nc(C2CC2)no1 ZINC000183641456 565084717 /nfs/dbraw/zinc/08/47/17/565084717.db2.gz HTEJKGSVFHNFAS-AWEZNQCLSA-N 0 1 380.857 3.148 20 30 GGEDMN N#Cc1ccc(Br)c(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000369595674 565102195 /nfs/dbraw/zinc/10/21/95/565102195.db2.gz FAWUPNFJBFFHAP-IBGZPJMESA-N 0 1 382.261 3.417 20 30 GGEDMN CNC(=O)C(C)(C)C/N=C/c1cc(Br)cc(Br)c1O ZINC000157189399 565122809 /nfs/dbraw/zinc/12/28/09/565122809.db2.gz UOKUNFWWBMNTGL-UBKPWBPPSA-N 0 1 392.091 3.108 20 30 GGEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Br)c(C)c1 ZINC000184768502 565154938 /nfs/dbraw/zinc/15/49/38/565154938.db2.gz YGGQCPFUEYSDNA-UHFFFAOYSA-N 0 1 381.251 3.439 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2ccnn2-c2cccc(F)c2)c(Cl)c1 ZINC000185139861 565180701 /nfs/dbraw/zinc/18/07/01/565180701.db2.gz SXQFFEQPHOUILQ-UHFFFAOYSA-N 0 1 376.800 3.337 20 30 GGEDMN C#CCN1CCC(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000293982151 565193367 /nfs/dbraw/zinc/19/33/67/565193367.db2.gz SYDBPNMPLJCYEI-QGZVFWFLSA-N 0 1 389.337 3.185 20 30 GGEDMN Cc1sc(NC(=O)CN[C@H](C)c2ccc([S@@](C)=O)cc2)c(C#N)c1C ZINC000271709539 565264784 /nfs/dbraw/zinc/26/47/84/565264784.db2.gz AOFVCQUESITGFT-XELLLNAOSA-N 0 1 375.519 3.263 20 30 GGEDMN Cc1sc(NC(=O)CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c(C#N)c1C ZINC000271709535 565265213 /nfs/dbraw/zinc/26/52/13/565265213.db2.gz AOFVCQUESITGFT-UOXLDJKESA-N 0 1 375.519 3.263 20 30 GGEDMN COCc1nc2cc(NS(=O)(=O)c3ccc(C#N)cc3Cl)ccc2o1 ZINC000186600776 565271384 /nfs/dbraw/zinc/27/13/84/565271384.db2.gz LEUCKZQOEXEDEQ-UHFFFAOYSA-N 0 1 377.809 3.300 20 30 GGEDMN CN(C)C(=O)c1cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)ccc1Cl ZINC000186943129 565297667 /nfs/dbraw/zinc/29/76/67/565297667.db2.gz WZGAGAYZMPNRRY-UHFFFAOYSA-N 0 1 398.271 3.368 20 30 GGEDMN CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c(C)c1 ZINC000186960033 565297726 /nfs/dbraw/zinc/29/77/26/565297726.db2.gz RTZLEWOLAVNUNF-UHFFFAOYSA-N 0 1 377.853 3.071 20 30 GGEDMN COCCOc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1F ZINC000186968336 565298876 /nfs/dbraw/zinc/29/88/76/565298876.db2.gz CVCWLFONLLHAJW-UHFFFAOYSA-N 0 1 384.816 3.177 20 30 GGEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1 ZINC000186985060 565300289 /nfs/dbraw/zinc/30/02/89/565300289.db2.gz VYTGMSDFDCHBCY-UHFFFAOYSA-N 0 1 375.837 3.287 20 30 GGEDMN COC(=O)CCc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000186987378 565300508 /nfs/dbraw/zinc/30/05/08/565300508.db2.gz HFTXRZMOOXIOOR-UHFFFAOYSA-N 0 1 378.837 3.118 20 30 GGEDMN COCCCOc1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000187014223 565302717 /nfs/dbraw/zinc/30/27/17/565302717.db2.gz IMOUDSWATDNFMI-UHFFFAOYSA-N 0 1 380.853 3.428 20 30 GGEDMN Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1C(=O)N(C)C ZINC000187015693 565303199 /nfs/dbraw/zinc/30/31/99/565303199.db2.gz UNOVQYWKXAGAIB-UHFFFAOYSA-N 0 1 377.853 3.023 20 30 GGEDMN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000373824720 565305546 /nfs/dbraw/zinc/30/55/46/565305546.db2.gz RLPUTCDUKGXNLY-AWEZNQCLSA-N 0 1 375.519 3.124 20 30 GGEDMN C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C2)C1 ZINC000297140260 565357611 /nfs/dbraw/zinc/35/76/11/565357611.db2.gz SVQQIMFWEHRWDC-QGZVFWFLSA-N 0 1 377.286 3.270 20 30 GGEDMN N#Cc1ccc(N2CCC[C@@H](NCc3cncc(Br)c3)C2=O)cc1 ZINC000274265020 565365137 /nfs/dbraw/zinc/36/51/37/565365137.db2.gz OUHFSHIGLZHVDS-QGZVFWFLSA-N 0 1 385.265 3.001 20 30 GGEDMN COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000189076392 565442005 /nfs/dbraw/zinc/44/20/05/565442005.db2.gz BRRWZKXCOWOAJN-GFCCVEGCSA-N 0 1 380.853 3.426 20 30 GGEDMN CN1CCN(CCCNc2snc(Cl)c2C#N)[C@@H](c2ccccc2)C1 ZINC000301129336 565466312 /nfs/dbraw/zinc/46/63/12/565466312.db2.gz ZGFDSPYAUDHXFH-MRXNPFEDSA-N 0 1 375.929 3.459 20 30 GGEDMN C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(OCC#N)cc1 ZINC000277165159 565480199 /nfs/dbraw/zinc/48/01/99/565480199.db2.gz ROARXIXMBUJWLB-CYBMUJFWSA-N 0 1 378.881 3.497 20 30 GGEDMN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cc(C#N)cs1 ZINC000189983742 565500390 /nfs/dbraw/zinc/50/03/90/565500390.db2.gz AAMKIVWPJXLVPH-AWEZNQCLSA-N 0 1 375.519 3.353 20 30 GGEDMN Cc1ccc(I)cc1NS(=O)(=O)c1ccccc1C#N ZINC000383454404 565543949 /nfs/dbraw/zinc/54/39/49/565543949.db2.gz BNEDLZZXVBOCDD-UHFFFAOYSA-N 0 1 398.225 3.272 20 30 GGEDMN C#CCN1CCC(c2nc(-c3cc(Br)ccc3OC)no2)CC1 ZINC000278236774 565547685 /nfs/dbraw/zinc/54/76/85/565547685.db2.gz XZDNUBCFDKTKHA-UHFFFAOYSA-N 0 1 376.254 3.320 20 30 GGEDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)c(Br)c1 ZINC000391953911 565562849 /nfs/dbraw/zinc/56/28/49/565562849.db2.gz ZJROFQYDMXBTFK-UHFFFAOYSA-N 0 1 396.222 3.338 20 30 GGEDMN O=C(C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N-]CC(F)(F)F ZINC000393690214 565569967 /nfs/dbraw/zinc/56/99/67/565569967.db2.gz LSQWDAYUJMCTCU-UHFFFAOYSA-N 0 1 382.226 3.492 20 30 GGEDMN C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000311049260 565579302 /nfs/dbraw/zinc/57/93/02/565579302.db2.gz UMTWAWGFYFONSV-CQSZACIVSA-N 0 1 377.897 3.010 20 30 GGEDMN CC(C)(C)n1cc(C#N)c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000278955205 565587552 /nfs/dbraw/zinc/58/75/52/565587552.db2.gz HOQGQMDGTSYJAS-UHFFFAOYSA-N 0 1 398.242 3.494 20 30 GGEDMN C[C@@H]1CN(C[C@@H]2CCCN2Cc2cc(C#N)ccc2Br)C[C@@H](C)O1 ZINC000191778205 565630032 /nfs/dbraw/zinc/63/00/32/565630032.db2.gz AABMHZOSZVVSCU-RKVPGOIHSA-N 0 1 392.341 3.394 20 30 GGEDMN N#Cc1ccc(Br)c(CN2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000191787722 565631657 /nfs/dbraw/zinc/63/16/57/565631657.db2.gz OVAXTJNTUKFZNF-AWEZNQCLSA-N 0 1 386.297 3.238 20 30 GGEDMN C[S@](=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000174740982 565654785 /nfs/dbraw/zinc/65/47/85/565654785.db2.gz DCXYTTBTWVWWBH-DEOSSOPVSA-N 0 1 388.392 3.115 20 30 GGEDMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c1 ZINC000192128779 565661167 /nfs/dbraw/zinc/66/11/67/565661167.db2.gz PCSIJJLZTPWCGZ-GFCCVEGCSA-N 0 1 398.893 3.135 20 30 GGEDMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c1 ZINC000192128772 565661384 /nfs/dbraw/zinc/66/13/84/565661384.db2.gz PCSIJJLZTPWCGZ-LBPRGKRZSA-N 0 1 398.893 3.135 20 30 GGEDMN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c(Cl)c1 ZINC000192127839 565661537 /nfs/dbraw/zinc/66/15/37/565661537.db2.gz SCLMSORJKNNTAQ-GFCCVEGCSA-N 0 1 398.893 3.135 20 30 GGEDMN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c(Cl)c1 ZINC000192127835 565661556 /nfs/dbraw/zinc/66/15/56/565661556.db2.gz SCLMSORJKNNTAQ-LBPRGKRZSA-N 0 1 398.893 3.135 20 30 GGEDMN C[C@@H]1CN(C[C@H]2CCCN2C([O-])=[NH+]c2nc3ccsc3s2)C[C@@H](C)O1 ZINC000329408245 565665684 /nfs/dbraw/zinc/66/56/84/565665684.db2.gz DCOGVEAATXFAIC-JHJVBQTASA-N 0 1 380.539 3.477 20 30 GGEDMN CN1CC[C@@H](N2CCC(NC(=O)CSc3ccccc3Cl)CC2)C1=O ZINC000329627811 565674066 /nfs/dbraw/zinc/67/40/66/565674066.db2.gz HAUOWMQUCSNJDD-OAHLLOKOSA-N 0 1 381.929 3.084 20 30 GGEDMN N#Cc1ccc(CN2CC[C@H](NCc3ccc(Br)s3)C2=O)cc1 ZINC000192241912 565674032 /nfs/dbraw/zinc/67/40/32/565674032.db2.gz NGAPHMSRTZDRTP-HNNXBMFYSA-N 0 1 390.306 3.273 20 30 GGEDMN C[C@@H]1Cc2ccc(Br)cc2CN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329632496 565674305 /nfs/dbraw/zinc/67/43/05/565674305.db2.gz WIMMUOYSLAPOHG-ABAIWWIYSA-N 0 1 389.297 3.390 20 30 GGEDMN Cc1cc(Br)cc2c1CN(C([O-])=[NH+][C@H]1CCc3[nH]cnc3C1)CC2 ZINC000329649872 565675116 /nfs/dbraw/zinc/67/51/16/565675116.db2.gz FMHOJAYCVKVGHH-AWEZNQCLSA-N 0 1 389.297 3.310 20 30 GGEDMN CC(C)CN1CCO[C@@H](CNC(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000329811619 565680670 /nfs/dbraw/zinc/68/06/70/565680670.db2.gz BXHMJDLNWGPUGT-INIZCTEOSA-N 0 1 396.329 3.189 20 30 GGEDMN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC000330097856 565692073 /nfs/dbraw/zinc/69/20/73/565692073.db2.gz BFVQYDRQKJXSNT-YPMHNXCESA-N 0 1 381.274 3.263 20 30 GGEDMN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC000330097854 565692678 /nfs/dbraw/zinc/69/26/78/565692678.db2.gz BFVQYDRQKJXSNT-DGCLKSJQSA-N 0 1 381.274 3.263 20 30 GGEDMN O=C(Nc1ccc(Br)cn1)C1CCN([C@@H]2CCCNC2=O)CC1 ZINC000330134888 565694710 /nfs/dbraw/zinc/69/47/10/565694710.db2.gz SGKGQVFNIKENHV-CYBMUJFWSA-N 0 1 381.274 3.263 20 30 GGEDMN CCOc1c(Cl)cc(NC(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)cc1Cl ZINC000330541361 565711481 /nfs/dbraw/zinc/71/14/81/565711481.db2.gz AFQCDOALAHRZGR-NWDGAFQWSA-N 0 1 390.311 3.325 20 30 GGEDMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)[C@@H](C)C1 ZINC000330556184 565712447 /nfs/dbraw/zinc/71/24/47/565712447.db2.gz GXDLQLBRHFUBAD-QWRGUYRKSA-N 0 1 390.709 3.035 20 30 GGEDMN C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000192863407 565715650 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Cc1c(C#N)cccc1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000513572629 566609973 /nfs/dbraw/zinc/60/99/73/566609973.db2.gz QCJVRVUEPDKAPS-UHFFFAOYSA-N 0 1 396.248 3.344 20 30 GGEDMN Cc1c(C#N)cccc1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000513572629 566609979 /nfs/dbraw/zinc/60/99/79/566609979.db2.gz QCJVRVUEPDKAPS-UHFFFAOYSA-N 0 1 396.248 3.344 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)NCc2cccc(Br)c2)c(F)c1 ZINC000467140349 566628518 /nfs/dbraw/zinc/62/85/18/566628518.db2.gz XEBBBKIJOAOEAX-UHFFFAOYSA-N 0 1 387.205 3.077 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)NCC2(Sc3ccccc3)CC2)c(F)c1 ZINC000467157317 566630275 /nfs/dbraw/zinc/63/02/75/566630275.db2.gz GDNCFXLSZXMBAN-UHFFFAOYSA-N 0 1 380.441 3.440 20 30 GGEDMN C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000540464707 566652133 /nfs/dbraw/zinc/65/21/33/566652133.db2.gz ZFQSQBJOWOVDHL-UOXLDJKESA-N 0 1 375.881 3.238 20 30 GGEDMN CN1CC[C@@H](NC(=O)c2cccc(C#N)c2Br)[C@@H]1c1ccccc1 ZINC000450274001 566652719 /nfs/dbraw/zinc/65/27/19/566652719.db2.gz 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ZINC000451165686 566768874 /nfs/dbraw/zinc/76/88/74/566768874.db2.gz WCIPTSTUBRLEQX-MRXNPFEDSA-N 0 1 381.929 3.045 20 30 GGEDMN CCN(CCNC(=O)c1cccc(C#N)c1Br)CCC(F)(F)F ZINC000451174021 566770541 /nfs/dbraw/zinc/77/05/41/566770541.db2.gz VDQYRGHFHGLGFM-UHFFFAOYSA-N 0 1 392.219 3.325 20 30 GGEDMN COc1cc(C#N)ccc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000562418329 566789761 /nfs/dbraw/zinc/78/97/61/566789761.db2.gz MKJJWJRCCULREN-UHFFFAOYSA-N 0 1 392.234 3.002 20 30 GGEDMN COCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cncs1 ZINC000517009911 566799720 /nfs/dbraw/zinc/79/97/20/566799720.db2.gz FVALQGBJWNEFPK-UHFFFAOYSA-N 0 1 378.885 3.145 20 30 GGEDMN CCN(CCOc1ccc(Br)cc1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469598530 566802308 /nfs/dbraw/zinc/80/23/08/566802308.db2.gz IVQGVAADBQOGAA-AWEZNQCLSA-N 0 1 394.313 3.101 20 30 GGEDMN Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NCC(=O)NCC#N ZINC000542575817 566811657 /nfs/dbraw/zinc/81/16/57/566811657.db2.gz SDJAOPVVSWDSMH-JTQLQIEISA-N 0 1 393.310 3.171 20 30 GGEDMN O=S(=O)(N[C@H](C1CC1)C(F)(F)F)c1cccc(OC(F)(F)F)c1F ZINC000489851957 566814119 /nfs/dbraw/zinc/81/41/19/566814119.db2.gz PYSIBJQUWWWFQM-SNVBAGLBSA-N 0 1 381.269 3.344 20 30 GGEDMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1 ZINC000451452152 566820104 /nfs/dbraw/zinc/82/01/04/566820104.db2.gz GUFLDHWCNZLZFQ-MNOVXSKESA-N 0 1 381.889 3.077 20 30 GGEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000562788761 566823934 /nfs/dbraw/zinc/82/39/34/566823934.db2.gz JOFJCRXJRDQVGM-LYRGGWFBSA-N 0 1 377.286 3.332 20 30 GGEDMN C[C@H](Sc1ccc(Br)cc1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000517581180 566832691 /nfs/dbraw/zinc/83/26/91/566832691.db2.gz GVUYEALYVRUBRT-LBPRGKRZSA-N 0 1 382.327 3.034 20 30 GGEDMN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1cccc(Br)c1C#N ZINC000517641731 566838168 /nfs/dbraw/zinc/83/81/68/566838168.db2.gz MINOAVPMRQOCEI-UHFFFAOYSA-N 0 1 391.250 3.306 20 30 GGEDMN CC(C)N(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(Br)c1 ZINC000518598726 566893596 /nfs/dbraw/zinc/89/35/96/566893596.db2.gz TZOCAKGLSPRZMY-SFHVURJKSA-N 0 1 378.314 3.468 20 30 GGEDMN C=CCn1c(=O)[nH]nc1SCc1nc(-c2cccc(Br)c2)no1 ZINC000470824563 566907791 /nfs/dbraw/zinc/90/77/91/566907791.db2.gz ZVZFSPNNMRJARL-UHFFFAOYSA-N 0 1 394.254 3.275 20 30 GGEDMN Cc1nc(S(=O)(=O)N[C@@H](C)c2cccc(C#N)c2)sc1Br ZINC000611311964 566909164 /nfs/dbraw/zinc/90/91/64/566909164.db2.gz PSPWOWFEQKBSSU-QMMMGPOBSA-N 0 1 386.296 3.125 20 30 GGEDMN N#Cc1cccc(OCCN[C@H](CCO)c2ccccc2Br)c1 ZINC000543809810 566913322 /nfs/dbraw/zinc/91/33/22/566913322.db2.gz LIMXJFIPJWZWHP-GOSISDBHSA-N 0 1 375.266 3.413 20 30 GGEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cnc(OCC)c(Cl)c2)n1 ZINC000491918332 566919328 /nfs/dbraw/zinc/91/93/28/566919328.db2.gz AHCDXRXUYAQKFO-JTQLQIEISA-N 0 1 379.825 3.257 20 30 GGEDMN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cnc(OCC)c(Cl)c2)n1 ZINC000491918332 566919331 /nfs/dbraw/zinc/91/93/31/566919331.db2.gz AHCDXRXUYAQKFO-JTQLQIEISA-N 0 1 379.825 3.257 20 30 GGEDMN Cn1cc(C#N)c(=NC(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)[nH]1 ZINC000611596431 566930359 /nfs/dbraw/zinc/93/03/59/566930359.db2.gz NEWQUVLSGJOCHZ-UHFFFAOYSA-N 0 1 376.247 3.342 20 30 GGEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)c2nc3ccccc3cc2Br)[nH]1 ZINC000564194339 566953738 /nfs/dbraw/zinc/95/37/38/566953738.db2.gz MLIIQRYYWSZDTC-UHFFFAOYSA-N 0 1 398.264 3.495 20 30 GGEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000612330950 566964705 /nfs/dbraw/zinc/96/47/05/566964705.db2.gz BRBGJRBBYROBNH-UHFFFAOYSA-N 0 1 384.977 3.125 20 30 GGEDMN N#C[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)C1CCCCC1 ZINC000494092586 566970903 /nfs/dbraw/zinc/97/09/03/566970903.db2.gz PHCDBSPMJYICNG-ZDUSSCGKSA-N 0 1 393.253 3.478 20 30 GGEDMN CC1CCN([C@H](CNS(=O)(=O)CC2(CC#N)CC2)c2cccs2)CC1 ZINC000583719047 566976418 /nfs/dbraw/zinc/97/64/18/566976418.db2.gz QWQINLVOSMNKMG-MRXNPFEDSA-N 0 1 381.567 3.134 20 30 GGEDMN N#Cc1cc(NS(=O)(=O)Cc2ccccc2Cl)ncc1Br ZINC000584092850 567011943 /nfs/dbraw/zinc/01/19/43/567011943.db2.gz LZQYTTGVCDSAMN-UHFFFAOYSA-N 0 1 386.658 3.311 20 30 GGEDMN Cc1cc(F)cc(C)c1S(=O)(=O)Nc1cc(C#N)c(Br)cn1 ZINC000430398881 567014454 /nfs/dbraw/zinc/01/44/54/567014454.db2.gz ZCULAIYNPJHWEX-UHFFFAOYSA-N 0 1 384.230 3.273 20 30 GGEDMN C[C@H](C(F)(F)F)S(=O)(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000545362650 567043325 /nfs/dbraw/zinc/04/33/25/567043325.db2.gz YWZAJJFMJXSXQY-LMWSTFAQSA-N 0 1 376.400 3.118 20 30 GGEDMN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(Br)c1O ZINC000584547011 567052644 /nfs/dbraw/zinc/05/26/44/567052644.db2.gz DDCFGTHRRINEFM-UHFFFAOYSA-N 0 1 380.238 3.459 20 30 GGEDMN N#C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1Br ZINC000613954542 567074090 /nfs/dbraw/zinc/07/40/90/567074090.db2.gz UNHOJSDMWODOIW-AWEZNQCLSA-N 0 1 376.166 3.058 20 30 GGEDMN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453340616 567076361 /nfs/dbraw/zinc/07/63/61/567076361.db2.gz HURUKNKHDZLWPK-FZZIBODNSA-N 0 1 379.309 3.025 20 30 GGEDMN C=CCNC(=O)[C@H](C)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000473461613 567081412 /nfs/dbraw/zinc/08/14/12/567081412.db2.gz MUVAFGGKORBDHZ-KBXCAEBGSA-N 0 1 388.309 3.408 20 30 GGEDMN COCC#CCN1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000683102679 567096355 /nfs/dbraw/zinc/09/63/55/567096355.db2.gz BRJMMKKOHBDDKY-UHFFFAOYSA-N 0 1 390.281 3.328 20 30 GGEDMN C=CCOc1c(Br)cc(CN[C@H](C)C(=O)N(C)CC)cc1OCC ZINC000473987318 567122056 /nfs/dbraw/zinc/12/20/56/567122056.db2.gz MYCSBBVACLYZNV-CYBMUJFWSA-N 0 1 399.329 3.369 20 30 GGEDMN CC(C)[C@@H](C#N)N1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000614614830 567126866 /nfs/dbraw/zinc/12/68/66/567126866.db2.gz ZPFDYZPSDWOKDP-CYBMUJFWSA-N 0 1 377.901 3.098 20 30 GGEDMN C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2OC)cc1 ZINC000614866221 567145299 /nfs/dbraw/zinc/14/52/99/567145299.db2.gz SYORXTFACRRTQF-UHFFFAOYSA-N 0 1 380.853 3.065 20 30 GGEDMN C[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000566553392 567166602 /nfs/dbraw/zinc/16/66/02/567166602.db2.gz SEVCBDRWJSXDPD-CQSZACIVSA-N 0 1 377.897 3.010 20 30 GGEDMN N#Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000523703083 567167083 /nfs/dbraw/zinc/16/70/83/567167083.db2.gz AXPAXEKGZYQWQH-UHFFFAOYSA-N 0 1 398.220 3.123 20 30 GGEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 ZINC000474438754 567171690 /nfs/dbraw/zinc/17/16/90/567171690.db2.gz KLQRFLRLHDMJLX-AWEZNQCLSA-N 0 1 377.491 3.007 20 30 GGEDMN CC(C)c1csc(C(C#N)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 ZINC000474438754 567171700 /nfs/dbraw/zinc/17/17/00/567171700.db2.gz KLQRFLRLHDMJLX-AWEZNQCLSA-N 0 1 377.491 3.007 20 30 GGEDMN C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H](c1ccccc1)N(C)C ZINC000474576357 567180045 /nfs/dbraw/zinc/18/00/45/567180045.db2.gz LWTYNGASYGQOET-UGSOOPFHSA-N 0 1 377.897 3.181 20 30 GGEDMN N#Cc1cncc(S(=O)(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c1 ZINC000589553166 567183811 /nfs/dbraw/zinc/18/38/11/567183811.db2.gz LFDCQPYOBWTPIX-UHFFFAOYSA-N 0 1 377.294 3.408 20 30 GGEDMN CCc1ccc(O)c(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432775983 567189329 /nfs/dbraw/zinc/18/93/29/567189329.db2.gz LCEVSIHIWYRHQL-UHFFFAOYSA-N 0 1 381.251 3.390 20 30 GGEDMN C[C@@H](CC(=O)NC1(C#N)CCN(C)CC1)c1ccc(F)c(Br)c1 ZINC000589690552 567189625 /nfs/dbraw/zinc/18/96/25/567189625.db2.gz BKUZMBVZHSEHKM-LBPRGKRZSA-N 0 1 382.277 3.186 20 30 GGEDMN C=CCCCCNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000474677510 567189956 /nfs/dbraw/zinc/18/99/56/567189956.db2.gz PRYYYOGFFQKAJV-UHFFFAOYSA-N 0 1 396.228 3.219 20 30 GGEDMN COc1ccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c(OC)c1 ZINC000432778149 567190905 /nfs/dbraw/zinc/19/09/05/567190905.db2.gz XIFRAPOGAINIPB-UHFFFAOYSA-N 0 1 397.250 3.139 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000432961967 567210025 /nfs/dbraw/zinc/21/00/25/567210025.db2.gz VQHZCZRQXAXDAA-UHFFFAOYSA-N 0 1 382.195 3.030 20 30 GGEDMN COc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000616252804 567235527 /nfs/dbraw/zinc/23/55/27/567235527.db2.gz OFQDBFXETWKJGP-UHFFFAOYSA-N 0 1 391.758 3.435 20 30 GGEDMN C[C@](C#N)(NC(=O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433295185 567240552 /nfs/dbraw/zinc/24/05/52/567240552.db2.gz CJYGKIBWFYVIKH-HNAYVOBHSA-N 0 1 390.325 3.122 20 30 GGEDMN C=CCOc1c(Br)cc(CN2CC[C@@](C)(C(N)=O)C2)cc1OCC ZINC000475670723 567267063 /nfs/dbraw/zinc/26/70/63/567267063.db2.gz JXWWGNTXWAHRLU-GOSISDBHSA-N 0 1 397.313 3.110 20 30 GGEDMN C=CCOc1c(Br)cc(CN2CC[C@](C)(C(N)=O)C2)cc1OCC ZINC000475670724 567267228 /nfs/dbraw/zinc/26/72/28/567267228.db2.gz JXWWGNTXWAHRLU-SFHVURJKSA-N 0 1 397.313 3.110 20 30 GGEDMN COc1ccc(Br)cc1NS(=O)(=O)c1ccccc1CC#N ZINC000475816708 567278844 /nfs/dbraw/zinc/27/88/44/567278844.db2.gz ZSALACSWSPFLSC-UHFFFAOYSA-N 0 1 381.251 3.325 20 30 GGEDMN N#C[C@H]1N(C(=O)c2cccc(Br)c2O)CCC[C@@]12CCCCO2 ZINC000548400725 567314126 /nfs/dbraw/zinc/31/41/26/567314126.db2.gz FESODLGAIZKERP-PBHICJAKSA-N 0 1 379.254 3.222 20 30 GGEDMN N#C[C@@H]1N(C(=O)c2cccc(Br)c2O)CCC[C@]12CCCCO2 ZINC000548400727 567314282 /nfs/dbraw/zinc/31/42/82/567314282.db2.gz FESODLGAIZKERP-WMLDXEAASA-N 0 1 379.254 3.222 20 30 GGEDMN N#Cc1ccc(Br)c(CN2CC[C@H](C(=O)NCc3ccccc3)C2)c1 ZINC000592156261 567318065 /nfs/dbraw/zinc/31/80/65/567318065.db2.gz WANIJQHGFPVJDV-KRWDZBQOSA-N 0 1 398.304 3.459 20 30 GGEDMN N#Cc1cccc(CNCc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000568570850 567339150 /nfs/dbraw/zinc/33/91/50/567339150.db2.gz PJGOEFYBMRMMPI-UHFFFAOYSA-N 0 1 393.184 3.361 20 30 GGEDMN CC(=Cc1cnn(-c2ccc(Br)cc2)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340111 567358054 /nfs/dbraw/zinc/35/80/54/567358054.db2.gz CFFIULCFWFICPX-XFFZJAGNSA-N 0 1 396.248 3.459 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)s1 ZINC000435420357 567361728 /nfs/dbraw/zinc/36/17/28/567361728.db2.gz CWPZZSZCHZSNBB-LBPRGKRZSA-N 0 1 382.335 3.480 20 30 GGEDMN C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)CC(C)(C)C#N ZINC000456370944 567367002 /nfs/dbraw/zinc/36/70/02/567367002.db2.gz MXCSZFLRKAFGKG-CYBMUJFWSA-N 0 1 393.329 3.468 20 30 GGEDMN C=CCOCCCC(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000501211579 567372983 /nfs/dbraw/zinc/37/29/83/567372983.db2.gz XGRPDDUVCLHQPX-UHFFFAOYSA-N 0 1 396.329 3.122 20 30 GGEDMN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCOc1ccc(Br)cc1 ZINC000501386724 567385416 /nfs/dbraw/zinc/38/54/16/567385416.db2.gz IQBCDYDBUBTRCH-OAHLLOKOSA-N 0 1 381.314 3.349 20 30 GGEDMN N#Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000618715589 567408863 /nfs/dbraw/zinc/40/88/63/567408863.db2.gz HYVOORAMSNBGHY-CQSZACIVSA-N 0 1 377.809 3.086 20 30 GGEDMN N#Cc1cccc(CN2CCC(NC(=O)c3cc(Br)co3)CC2)c1 ZINC000593350634 567408936 /nfs/dbraw/zinc/40/89/36/567408936.db2.gz YOCVHNMUBUTRJW-UHFFFAOYSA-N 0 1 388.265 3.308 20 30 GGEDMN COc1ccc([C@@H](C)NCc2cnc3c(C#N)cnn3c2)cc1Br ZINC000549764820 567408897 /nfs/dbraw/zinc/40/88/97/567408897.db2.gz UMKWDXUXPCFGAX-LLVKDONJSA-N 0 1 386.253 3.223 20 30 GGEDMN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000502411160 567432347 /nfs/dbraw/zinc/43/23/47/567432347.db2.gz UZSMUCWGOYFKKB-UHFFFAOYSA-N 0 1 380.298 3.347 20 30 GGEDMN C=CCNC(=O)c1ccc(NC(=O)c2ccc(Br)cc2O)cc1 ZINC000436564832 567435411 /nfs/dbraw/zinc/43/54/11/567435411.db2.gz PJUPTIIQDSBOCR-UHFFFAOYSA-N 0 1 375.222 3.323 20 30 GGEDMN CNc1ccc(C#N)cc1NC(=O)c1cc(I)ccc1O ZINC000436683474 567442795 /nfs/dbraw/zinc/44/27/95/567442795.db2.gz UNOYBKUXZKOLNT-UHFFFAOYSA-N 0 1 393.184 3.162 20 30 GGEDMN CCOC(=O)Cc1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000502825094 567454952 /nfs/dbraw/zinc/45/49/52/567454952.db2.gz JZQRXQOJNZKWAT-UHFFFAOYSA-N 0 1 378.837 3.118 20 30 GGEDMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619462419 567456250 /nfs/dbraw/zinc/45/62/50/567456250.db2.gz SEGWAROLVXBZMP-UHFFFAOYSA-N 0 1 380.853 3.232 20 30 GGEDMN Cc1cc([C@H]2CCCN2C(=O)N=c2[nH]n(C)cc2C#N)ccc1Br ZINC000619536923 567462925 /nfs/dbraw/zinc/46/29/25/567462925.db2.gz GJDVLPHIMXAOMD-OAHLLOKOSA-N 0 1 388.269 3.154 20 30 GGEDMN CCOc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc(Br)c1O ZINC000436964515 567469857 /nfs/dbraw/zinc/46/98/57/567469857.db2.gz GWKBQOOXDKDWEQ-UITAMQMPSA-N 0 1 390.237 3.377 20 30 GGEDMN C=C[C@@H](Sc1nc(-c2ccc(OC)c(Br)c2)n[nH]1)C(=O)OC ZINC000619689374 567474496 /nfs/dbraw/zinc/47/44/96/567474496.db2.gz MZMBTUDVQZPOSZ-LLVKDONJSA-N 0 1 384.255 3.063 20 30 GGEDMN COc1cc([C@H](C)NCc2ccc(C#N)c(Cl)c2)ccc1S(C)(=O)=O ZINC000619755012 567480623 /nfs/dbraw/zinc/48/06/23/567480623.db2.gz QPESZQWNDDVXJR-LBPRGKRZSA-N 0 1 378.881 3.475 20 30 GGEDMN COC(=O)[C@H](NS(=O)(=O)c1ccccc1C#N)c1ccc(Cl)cc1Cl ZINC000570401801 567481644 /nfs/dbraw/zinc/48/16/44/567481644.db2.gz ZCKJDJOPIOPUHY-OAHLLOKOSA-N 0 1 399.255 3.058 20 30 GGEDMN CCN(CCC#N)C(=O)CN1CCC(c2ccc(Br)cc2)CC1 ZINC000503381360 567481973 /nfs/dbraw/zinc/48/19/73/567481973.db2.gz CSQRDTTXXYCNAD-UHFFFAOYSA-N 0 1 378.314 3.391 20 30 GGEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000551421306 567505100 /nfs/dbraw/zinc/50/51/00/567505100.db2.gz AMLHWQBCNNZCQE-ULFGMLNVSA-N 0 1 393.329 3.328 20 30 GGEDMN N#Cc1cc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)ccc1F ZINC000551544416 567515806 /nfs/dbraw/zinc/51/58/06/567515806.db2.gz GHWNGMUBUGVWLD-UHFFFAOYSA-N 0 1 386.184 3.497 20 30 GGEDMN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000479503612 567540727 /nfs/dbraw/zinc/54/07/27/567540727.db2.gz RLJQZLOCTDRURQ-UHFFFAOYSA-N 0 1 380.853 3.428 20 30 GGEDMN Cc1ccnc2[nH]c(C(C#N)=C([O-])c3cn4ccc(Br)cc4[nH+]3)nc21 ZINC000552073015 567554287 /nfs/dbraw/zinc/55/42/87/567554287.db2.gz KITWMNAOKVTGRY-LLVKDONJSA-N 0 1 395.220 3.167 20 30 GGEDMN C[C@@H](NCCn1cnc(C#N)n1)c1ccc(Br)cc1Br ZINC000552097432 567559521 /nfs/dbraw/zinc/55/95/21/567559521.db2.gz BPJGBJORXVXSHW-SECBINFHSA-N 0 1 399.090 3.026 20 30 GGEDMN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(c2cccc(Br)c2)CC1 ZINC000439323597 567581968 /nfs/dbraw/zinc/58/19/68/567581968.db2.gz QZYYVOWUADRHCV-CYBMUJFWSA-N 0 1 394.313 3.029 20 30 GGEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCC(c2cccc(Br)c2)CC1 ZINC000439316042 567582144 /nfs/dbraw/zinc/58/21/44/567582144.db2.gz KGFYBUGAMNVCDV-AWEZNQCLSA-N 0 1 378.314 3.389 20 30 GGEDMN N#Cc1ccc(CN2CCN(CCCOCC(F)(F)F)CC2)c(Cl)c1 ZINC000439456522 567589281 /nfs/dbraw/zinc/58/92/81/567589281.db2.gz YLNHATHDOGWNAZ-UHFFFAOYSA-N 0 1 375.822 3.298 20 30 GGEDMN Cn1cc(CN[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1C#N ZINC000480287202 567594987 /nfs/dbraw/zinc/59/49/87/567594987.db2.gz FUBIMFIWKQZZRJ-MRXNPFEDSA-N 0 1 377.275 3.489 20 30 GGEDMN CN1CCN(c2ncccc2CNc2cccc(Br)c2C#N)CC1 ZINC000571967253 567601924 /nfs/dbraw/zinc/60/19/24/567601924.db2.gz XJRDRFYQISLPRN-UHFFFAOYSA-N 0 1 386.297 3.080 20 30 GGEDMN CC(C)(C)[C@H](C#N)NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000506817444 567644537 /nfs/dbraw/zinc/64/45/37/567644537.db2.gz FDFCCYKIBUDNHY-NSHDSACASA-N 0 1 383.670 3.458 20 30 GGEDMN C=CCOc1ccc(Br)cc1NC(=O)NCc1n[nH]c(CC)n1 ZINC000459656190 567645756 /nfs/dbraw/zinc/64/57/56/567645756.db2.gz FZIWMXPXGKUPDD-UHFFFAOYSA-N 0 1 380.246 3.016 20 30 GGEDMN N#Cc1cc(NS(=O)(=O)c2cncc(Cl)c2)ccc1OCC(F)(F)F ZINC000507020862 567653987 /nfs/dbraw/zinc/65/39/87/567653987.db2.gz KMMWHEIEGKTRNX-UHFFFAOYSA-N 0 1 391.758 3.349 20 30 GGEDMN COC(=O)c1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c(Br)c1 ZINC000572826918 567669181 /nfs/dbraw/zinc/66/91/81/567669181.db2.gz JHCRKLCBEMHHON-TWGQIWQCSA-N 0 1 388.221 3.060 20 30 GGEDMN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cncc(Br)c1 ZINC000572900544 567673619 /nfs/dbraw/zinc/67/36/19/567673619.db2.gz INPCQYHKCMABKY-UGSOOPFHSA-N 0 1 399.292 3.167 20 30 GGEDMN Cc1cc(S(=O)(=O)Nc2cc(CC#N)ccn2)c(C)cc1Br ZINC000532163106 567700199 /nfs/dbraw/zinc/70/01/99/567700199.db2.gz MUXBOAVBLSYOTC-UHFFFAOYSA-N 0 1 380.267 3.328 20 30 GGEDMN COC[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(Cl)c1 ZINC000573282876 567702285 /nfs/dbraw/zinc/70/22/85/567702285.db2.gz RQVSMZQOCRVPKQ-HNNXBMFYSA-N 0 1 386.807 3.156 20 30 GGEDMN CNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000507918623 567715666 /nfs/dbraw/zinc/71/56/66/567715666.db2.gz DKZGBEUAVQLEID-UHFFFAOYSA-N 0 1 384.230 3.302 20 30 GGEDMN COc1cc(CN(C)[C@H](CO)c2cccc(Br)c2)ccc1C#N ZINC000442890247 567716342 /nfs/dbraw/zinc/71/63/42/567716342.db2.gz NZWAELXNFQSDEP-QGZVFWFLSA-N 0 1 375.266 3.495 20 30 GGEDMN C[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)N(C)Cc1ccccc1 ZINC000443075603 567728727 /nfs/dbraw/zinc/72/87/27/567728727.db2.gz BKCLNYVZDGISDA-CQSZACIVSA-N 0 1 377.897 3.010 20 30 GGEDMN Cc1cc(S(=O)(=O)Nc2ccc(C#N)c(Br)c2)ccc1[N+](=O)[O-] ZINC000508143073 567732580 /nfs/dbraw/zinc/73/25/80/567732580.db2.gz QRPAPHKJOLYFAI-UHFFFAOYSA-N 0 1 396.222 3.338 20 30 GGEDMN N#Cc1ccc(C(=O)Nc2ccc(F)cc2I)cc1O ZINC000443282305 567745098 /nfs/dbraw/zinc/74/50/98/567745098.db2.gz GYCASXMKQSEMEY-UHFFFAOYSA-N 0 1 382.132 3.260 20 30 GGEDMN C=CC1CCN(CC(=O)Nc2ccc(I)cc2C)CC1 ZINC000533286426 567761935 /nfs/dbraw/zinc/76/19/35/567761935.db2.gz VCPNAJOPNIJUSD-UHFFFAOYSA-N 0 1 384.261 3.436 20 30 GGEDMN CC[C@](C)(NS(=O)(=O)c1cccc(Br)c1C#N)C(F)(F)F ZINC000574280600 567768044 /nfs/dbraw/zinc/76/80/44/567768044.db2.gz JAIAUUVLODITFE-NSHDSACASA-N 0 1 385.205 3.330 20 30 GGEDMN O=S(=O)(NCC(F)(F)C(F)F)c1cc(Cl)ccc1OC(F)(F)F ZINC000647274219 567776270 /nfs/dbraw/zinc/77/62/70/567776270.db2.gz CZTHFRXTKPDDBG-UHFFFAOYSA-N 0 1 389.676 3.417 20 30 GGEDMN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cc2c(cc1Br)OCCO2 ZINC000598603495 567778387 /nfs/dbraw/zinc/77/83/87/567778387.db2.gz USFCPTOAGOFPGZ-RYUDHWBXSA-N 0 1 383.286 3.172 20 30 GGEDMN CC(C)(C#N)C[C@@H](O)CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000598591842 567778759 /nfs/dbraw/zinc/77/87/59/567778759.db2.gz CHHBUZAUWYRUGP-OAHLLOKOSA-N 0 1 398.320 3.007 20 30 GGEDMN C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598597565 567779297 /nfs/dbraw/zinc/77/92/97/567779297.db2.gz YRPQOYZFWAMLLE-YJBOKZPZSA-N 0 1 394.357 3.428 20 30 GGEDMN N#CCc1ccc(OC[C@@H](O)CNCc2cc(F)ccc2Br)cc1 ZINC000555338490 567779869 /nfs/dbraw/zinc/77/98/69/567779869.db2.gz FPWJHVXWUSRJGX-INIZCTEOSA-N 0 1 393.256 3.184 20 30 GGEDMN CC(C)(C#N)C[C@H](O)CN1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000598620761 567780579 /nfs/dbraw/zinc/78/05/79/567780579.db2.gz RYMYFMJQOZLDBT-INIZCTEOSA-N 0 1 398.320 3.007 20 30 GGEDMN COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2)cc1 ZINC000006141775 570276768 /nfs/dbraw/zinc/27/67/68/570276768.db2.gz OWIUYKHXXGQKHN-LBPRGKRZSA-N 0 1 379.445 3.471 20 30 GGEDMN C=CCCCCCN(C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000735408911 598866169 /nfs/dbraw/zinc/86/61/69/598866169.db2.gz VBBATAUYGMAUCN-CYBMUJFWSA-N 0 1 388.541 3.422 20 30 GGEDMN COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[nH]n2)c(OC(F)F)c1 ZINC000737082224 598926483 /nfs/dbraw/zinc/92/64/83/598926483.db2.gz FXFKRQLHMSFPER-UHFFFAOYSA-N 0 1 393.354 3.034 20 30 GGEDMN Cc1nc(-c2nn[nH]n2)c(N=NC(C)c2ccc(SCC(F)F)cc2)o1 ZINC000735451360 599126965 /nfs/dbraw/zinc/12/69/65/599126965.db2.gz YQRNAFLBWXMZKV-UHFFFAOYSA-N 0 1 379.396 3.356 20 30 GGEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC(C(=O)[O-])CC2)c1C#N ZINC000738170721 596920748 /nfs/dbraw/zinc/92/07/48/596920748.db2.gz MPNMTRGOZKBYLX-UHFFFAOYSA-N 0 1 386.496 3.217 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000817998549 597071937 /nfs/dbraw/zinc/07/19/37/597071937.db2.gz LHOAFPRGEXASFL-LSDHHAIUSA-N 0 1 375.494 3.206 20 30 GGEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000817998549 597071940 /nfs/dbraw/zinc/07/19/40/597071940.db2.gz LHOAFPRGEXASFL-LSDHHAIUSA-N 0 1 375.494 3.206 20 30 GGEDMN N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)sc2c1CCCCC2 ZINC000819095604 597072523 /nfs/dbraw/zinc/07/25/23/597072523.db2.gz DNAYZBWVLZUFIL-AWEZNQCLSA-N 0 1 389.521 3.404 20 30 GGEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000817727991 597075348 /nfs/dbraw/zinc/07/53/48/597075348.db2.gz QUHHMGWRRSGAFB-GJZGRUSLSA-N 0 1 375.494 3.064 20 30 GGEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000817727991 597075352 /nfs/dbraw/zinc/07/53/52/597075352.db2.gz QUHHMGWRRSGAFB-GJZGRUSLSA-N 0 1 375.494 3.064 20 30 GGEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NCc2cccc(OCCCC#N)c2)o1 ZINC000735940467 598362813 /nfs/dbraw/zinc/36/28/13/598362813.db2.gz ZYYYOSBFBCTBSP-UHFFFAOYSA-N 0 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TYFQUESAODCILL-JOCHJYFZSA-N 0 1 395.503 3.272 20 30 GGEDMN C#CC[C@H](NCC(=O)NCc1cccc(COCCOCC)c1)c1ccccc1 ZINC000271710384 1434845519 /nfs/dbraw/zinc/84/55/19/1434845519.db2.gz OHAMPSQQIOQBDJ-QHCPKHFHSA-N 0 1 394.515 3.210 20 30 GGEDMN COc1cc(C)c([C@@H](C)NC(=O)CNC2(c3cccc(C#N)c3)CC2)cc1OC ZINC000271766220 1434848988 /nfs/dbraw/zinc/84/89/88/1434848988.db2.gz ISQSPMMFVJTOHZ-MRXNPFEDSA-N 0 1 393.487 3.340 20 30 GGEDMN CCCOCc1ccccc1CNC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000271776809 1434849724 /nfs/dbraw/zinc/84/97/24/1434849724.db2.gz KUGDLKZZAUCMHL-UHFFFAOYSA-N 0 1 377.488 3.380 20 30 GGEDMN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000271825438 1434853010 /nfs/dbraw/zinc/85/30/10/1434853010.db2.gz OJZNARHBEWUAQL-GFCCVEGCSA-N 0 1 382.851 3.020 20 30 GGEDMN C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)c(F)c1 ZINC000271931694 1434860079 /nfs/dbraw/zinc/86/00/79/1434860079.db2.gz LKKDIRGLFSYGPV-UONOGXRCSA-N 0 1 375.469 3.359 20 30 GGEDMN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000271931695 1434860119 /nfs/dbraw/zinc/86/01/19/1434860119.db2.gz LKKDIRGLFSYGPV-ZIAGYGMSSA-N 0 1 375.469 3.359 20 30 GGEDMN CC(C)C[C@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271981057 1434863363 /nfs/dbraw/zinc/86/33/63/1434863363.db2.gz OWNBDTFJYYIMGM-VXKWHMMOSA-N 0 1 398.551 3.369 20 30 GGEDMN COCCOc1ccccc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272091546 1434871667 /nfs/dbraw/zinc/87/16/67/1434871667.db2.gz DNCRERGQLHWMFU-UHFFFAOYSA-N 0 1 376.460 3.274 20 30 GGEDMN N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272216373 1434878740 /nfs/dbraw/zinc/87/87/40/1434878740.db2.gz JUQHJRKARGFVOK-AWEZNQCLSA-N 0 1 381.440 3.411 20 30 GGEDMN N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272216373 1434878741 /nfs/dbraw/zinc/87/87/41/1434878741.db2.gz JUQHJRKARGFVOK-AWEZNQCLSA-N 0 1 381.440 3.411 20 30 GGEDMN N#CCCn1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)n1 ZINC000272263797 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/nfs/dbraw/zinc/31/89/20/1435318920.db2.gz IACCBZRPFNIYMS-UHFFFAOYSA-N 0 1 393.553 3.112 20 30 GGEDMN Cn1cc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000277672240 1435320899 /nfs/dbraw/zinc/32/08/99/1435320899.db2.gz FTFHZQOGMVJLCZ-CRAIPNDOSA-N 0 1 378.398 3.094 20 30 GGEDMN Cc1cc(S(=O)(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)ccc1C#N ZINC000277710661 1435323682 /nfs/dbraw/zinc/32/36/82/1435323682.db2.gz WNHVUGVQNYSCLC-SFHVURJKSA-N 0 1 382.445 3.395 20 30 GGEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCCOc2ccc(C#N)cc2OC)n[nH]1 ZINC000277733009 1435325415 /nfs/dbraw/zinc/32/54/15/1435325415.db2.gz GNJBWRBAYCHJKY-KBPBESRZSA-N 0 1 385.468 3.235 20 30 GGEDMN CN(C)Cc1ccsc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277874687 1435338108 /nfs/dbraw/zinc/33/81/08/1435338108.db2.gz DUEGABWCWBKCLP-UHFFFAOYSA-N 0 1 388.924 3.297 20 30 GGEDMN CC(C)[C@](C)(C#N)NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278039230 1435352794 /nfs/dbraw/zinc/35/27/94/1435352794.db2.gz CDXLGIJVWWXGLM-SFHVURJKSA-N 0 1 397.441 3.355 20 30 GGEDMN COc1c([O-])c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)ccc1[N+](=O)[O-] ZINC000278181264 1435367208 /nfs/dbraw/zinc/36/72/08/1435367208.db2.gz GZFDVXNYSFBVHP-UHFFFAOYSA-N 0 1 383.404 3.224 20 30 GGEDMN Cc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1C(=O)N1CCCCC1 ZINC000278378696 1435385517 /nfs/dbraw/zinc/38/55/17/1435385517.db2.gz HLFCPODMGHXJAC-UHFFFAOYSA-N 0 1 383.473 3.294 20 30 GGEDMN COC[C@H](C)OC[C@@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000278458718 1435392487 /nfs/dbraw/zinc/39/24/87/1435392487.db2.gz YNKNPTWYOTUIOV-JTSKRJEESA-N 0 1 386.467 3.112 20 30 GGEDMN COC[C@@H](C)OC[C@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000278458719 1435392623 /nfs/dbraw/zinc/39/26/23/1435392623.db2.gz YNKNPTWYOTUIOV-VGOFRKELSA-N 0 1 386.467 3.112 20 30 GGEDMN CCCOc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000278604582 1435404600 /nfs/dbraw/zinc/40/46/00/1435404600.db2.gz IDAPHXGSNXZEGQ-UHFFFAOYSA-N 0 1 376.464 3.332 20 30 GGEDMN CCCOc1ncccc1CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278658367 1435411243 /nfs/dbraw/zinc/41/12/43/1435411243.db2.gz NABVLOGQKAVRGK-UHFFFAOYSA-N 0 1 376.464 3.332 20 30 GGEDMN CC(C)(C#N)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000278835648 1435428697 /nfs/dbraw/zinc/42/86/97/1435428697.db2.gz QYGKJPNIAHFNGA-GJZGRUSLSA-N 0 1 399.388 3.129 20 30 GGEDMN CC(C)(C#N)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000278835673 1435428825 /nfs/dbraw/zinc/42/88/25/1435428825.db2.gz QYGKJPNIAHFNGA-LSDHHAIUSA-N 0 1 399.388 3.129 20 30 GGEDMN N#Cc1cccc(-c2cc(C(=O)NC3CCN(Cc4ccncc4)CC3)on2)c1 ZINC000278940572 1435442867 /nfs/dbraw/zinc/44/28/67/1435442867.db2.gz FLTQVICLFWKQQN-UHFFFAOYSA-N 0 1 387.443 3.003 20 30 GGEDMN CC(C)(C)OC(=O)C1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279351593 1435489895 /nfs/dbraw/zinc/48/98/95/1435489895.db2.gz GDRJWNCEFRVGAE-UHFFFAOYSA-N 0 1 395.507 3.412 20 30 GGEDMN CN(Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1COc2ccccc2O1 ZINC000279356502 1435490439 /nfs/dbraw/zinc/49/04/39/1435490439.db2.gz GVBJRXYDTKEAFJ-IBGZPJMESA-N 0 1 389.459 3.131 20 30 GGEDMN COc1ccc(CN(C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1O ZINC000279367566 1435491758 /nfs/dbraw/zinc/49/17/58/1435491758.db2.gz IJLMSQBBONMDQS-UHFFFAOYSA-N 0 1 377.448 3.205 20 30 GGEDMN N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(CN3CCSCC3)c2)cc1 ZINC000279447874 1435500691 /nfs/dbraw/zinc/50/06/91/1435500691.db2.gz ZEFUETORXGVUEL-FQEVSTJZSA-N 0 1 390.512 3.428 20 30 GGEDMN CC(C)(C#N)c1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000279781273 1435542112 /nfs/dbraw/zinc/54/21/12/1435542112.db2.gz FOHHEUBZFLNSQL-UNMCSNQZSA-N 0 1 391.515 3.101 20 30 GGEDMN N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)on2)c1 ZINC000279890550 1435558859 /nfs/dbraw/zinc/55/88/59/1435558859.db2.gz ZCJPHWZIQAAUKP-INIZCTEOSA-N 0 1 388.431 3.229 20 30 GGEDMN N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(CCc2ccccc2)CC1 ZINC000280332939 1435637563 /nfs/dbraw/zinc/63/75/63/1435637563.db2.gz AROAEIADGDSCIM-UHFFFAOYSA-N 0 1 382.895 3.010 20 30 GGEDMN N#Cc1ccc(CN2CCCN(C(=O)NC[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000280554731 1435678900 /nfs/dbraw/zinc/67/89/00/1435678900.db2.gz IZDGJESWLOBXPF-SFHVURJKSA-N 0 1 376.451 3.211 20 30 GGEDMN N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000280861247 1435732310 /nfs/dbraw/zinc/73/23/10/1435732310.db2.gz QMYOKFGODHTKTJ-RTBURBONSA-N 0 1 378.501 3.255 20 30 GGEDMN C=CCN1CC[C@@H](N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)C1=O ZINC000280900616 1435738819 /nfs/dbraw/zinc/73/88/19/1435738819.db2.gz BNPLZDAIZDDSDA-HRAATJIYSA-N 0 1 395.478 3.444 20 30 GGEDMN C=CCN1CC[C@H](N[C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)C1=O ZINC000280900629 1435738835 /nfs/dbraw/zinc/73/88/35/1435738835.db2.gz BNPLZDAIZDDSDA-KKSFZXQISA-N 0 1 395.478 3.444 20 30 GGEDMN N#Cc1cccc(-n2ccc(C(=O)N3CCCN(Cc4ccccc4)CC3)n2)c1 ZINC000281164237 1435787606 /nfs/dbraw/zinc/78/76/06/1435787606.db2.gz HHNUWWDOZFOGPB-UHFFFAOYSA-N 0 1 385.471 3.092 20 30 GGEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C1=O ZINC000281758442 1435820896 /nfs/dbraw/zinc/82/08/96/1435820896.db2.gz PVUANYVJSWJCTL-OAHLLOKOSA-N 0 1 380.473 3.150 20 30 GGEDMN C#CCN1CCC(C(=O)N(Cc2ccc(OC)cc2OC)[C@H](C)C2CC2)CC1 ZINC000282697168 1435856767 /nfs/dbraw/zinc/85/67/67/1435856767.db2.gz JANFRQKQUVQKBR-QGZVFWFLSA-N 0 1 384.520 3.176 20 30 GGEDMN Cc1cc(Cl)nc(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000282742064 1435858630 /nfs/dbraw/zinc/85/86/30/1435858630.db2.gz FNVTXASWRVMCTO-UHFFFAOYSA-N 0 1 397.910 3.333 20 30 GGEDMN COc1cc(C=CC(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)ccc1OCC#N ZINC000283350057 1435885482 /nfs/dbraw/zinc/88/54/82/1435885482.db2.gz POCOUYWZYPSTNF-DBWMJRBXSA-N 0 1 380.448 3.049 20 30 GGEDMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000284647077 1436037112 /nfs/dbraw/zinc/03/71/12/1436037112.db2.gz DYMCEYIJJJTGHQ-CABCVRRESA-N 0 1 385.489 3.030 20 30 GGEDMN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000284739408 1436044927 /nfs/dbraw/zinc/04/49/27/1436044927.db2.gz KSOXBWRPYSUKEB-GJZGRUSLSA-N 0 1 385.489 3.030 20 30 GGEDMN N#Cc1ccc(OC2CC[NH+](Cc3cn4ccccc4c3-c3nn[n-]n3)CC2)cc1 ZINC000737721917 1441451677 /nfs/dbraw/zinc/45/16/77/1441451677.db2.gz OSAAVPSTUOMQPI-UHFFFAOYSA-N 0 1 399.458 3.034 20 30 GGEDMN CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)o1 ZINC000735939381 1441518544 /nfs/dbraw/zinc/51/85/44/1441518544.db2.gz OIUGCTVXWADKTB-UKRRQHHQSA-N 0 1 386.504 3.421 20 30 GGEDMN C[C@@H]([NH2+]CCSCc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1F ZINC000824604386 1442384492 /nfs/dbraw/zinc/38/44/92/1442384492.db2.gz BXYSXAAOPGIIJZ-CYBMUJFWSA-N 0 1 382.468 3.461 20 30 GGEDMN CC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000736534269 1442446980 /nfs/dbraw/zinc/44/69/80/1442446980.db2.gz KCWWWFZPDCCAKY-HNNXBMFYSA-N 0 1 389.463 3.150 20 30 GGEDMN CC[N@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000736534269 1442446985 /nfs/dbraw/zinc/44/69/85/1442446985.db2.gz KCWWWFZPDCCAKY-HNNXBMFYSA-N 0 1 389.463 3.150 20 30 GGEDMN CC[N@@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000736534269 1442446990 /nfs/dbraw/zinc/44/69/90/1442446990.db2.gz KCWWWFZPDCCAKY-HNNXBMFYSA-N 0 1 389.463 3.150 20 30 GGEDMN CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000823958776 1443204182 /nfs/dbraw/zinc/20/41/82/1443204182.db2.gz VUYQCCIEGCAVQV-UHFFFAOYSA-N 0 1 399.886 3.297 20 30 GGEDMN C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000824035290 1443340819 /nfs/dbraw/zinc/34/08/19/1443340819.db2.gz WFFRCUXQCZYQRT-INIZCTEOSA-N 0 1 386.459 3.447 20 30 GGEDMN N#Cc1cccc(Cl)c1N1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737731056 1443397708 /nfs/dbraw/zinc/39/77/08/1443397708.db2.gz XBQKUDFNTCRAPC-UHFFFAOYSA-N 0 1 393.882 3.104 20 30 GGEDMN C=CCOc1cccc(C[NH2+]CCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000735436046 1443653407 /nfs/dbraw/zinc/65/34/07/1443653407.db2.gz DGIFGBBXLLRICF-UHFFFAOYSA-N 0 1 381.505 3.455 20 30 GGEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822801373 1443762273 /nfs/dbraw/zinc/76/22/73/1443762273.db2.gz HXUSEBGHTOCSOK-SFTDATJTSA-N 0 1 388.475 3.407 20 30 GGEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822801373 1443762276 /nfs/dbraw/zinc/76/22/76/1443762276.db2.gz HXUSEBGHTOCSOK-SFTDATJTSA-N 0 1 388.475 3.407 20 30 GGEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822801373 1443762279 /nfs/dbraw/zinc/76/22/79/1443762279.db2.gz HXUSEBGHTOCSOK-SFTDATJTSA-N 0 1 388.475 3.407 20 30 GGEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822801373 1443762282 /nfs/dbraw/zinc/76/22/82/1443762282.db2.gz HXUSEBGHTOCSOK-SFTDATJTSA-N 0 1 388.475 3.407 20 30 GGEDMN C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819742859 1443852296 /nfs/dbraw/zinc/85/22/96/1443852296.db2.gz AVXGPDRYDARFHJ-OAHLLOKOSA-N 0 1 375.885 3.303 20 30 GGEDMN C[C@@H](CCN(C)Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820242946 1443994623 /nfs/dbraw/zinc/99/46/23/1443994623.db2.gz ROAGNICPUXEORZ-KRWDZBQOSA-N 0 1 389.507 3.081 20 30 GGEDMN C[C@@H](CCN(C)Cc1cccc(C#N)c1)[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820242946 1443994626 /nfs/dbraw/zinc/99/46/26/1443994626.db2.gz ROAGNICPUXEORZ-KRWDZBQOSA-N 0 1 389.507 3.081 20 30 GGEDMN C[C@@H](CCN(C)Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820242946 1443994628 /nfs/dbraw/zinc/99/46/28/1443994628.db2.gz ROAGNICPUXEORZ-KRWDZBQOSA-N 0 1 389.507 3.081 20 30 GGEDMN C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1F ZINC000824604712 1446316660 /nfs/dbraw/zinc/31/66/60/1446316660.db2.gz DDJCRCSKEUJEEO-CYBMUJFWSA-N 0 1 382.468 3.461 20 30 GGEDMN N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822802263 1446727070 /nfs/dbraw/zinc/72/70/70/1446727070.db2.gz YFZWIHQXJWLXBM-RTBURBONSA-N 0 1 383.459 3.391 20 30 GGEDMN N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822802263 1446727075 /nfs/dbraw/zinc/72/70/75/1446727075.db2.gz YFZWIHQXJWLXBM-RTBURBONSA-N 0 1 383.459 3.391 20 30 GGEDMN N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822802263 1446727078 /nfs/dbraw/zinc/72/70/78/1446727078.db2.gz YFZWIHQXJWLXBM-RTBURBONSA-N 0 1 383.459 3.391 20 30 GGEDMN N#Cc1ccc(C[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)c(OC(F)F)c1 ZINC000826384893 1446871751 /nfs/dbraw/zinc/87/17/51/1446871751.db2.gz OADIHSHUWBVFLD-UHFFFAOYSA-N 0 1 382.374 3.119 20 30 GGEDMN C=CCOc1ccccc1C[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000735435858 1447016686 /nfs/dbraw/zinc/01/66/86/1447016686.db2.gz AFKSPMKZNYZLEF-UHFFFAOYSA-N 0 1 381.505 3.455 20 30 GGEDMN CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000736253024 1449055258 /nfs/dbraw/zinc/05/52/58/1449055258.db2.gz SNXVBFSKLMEYMB-HIFRSBDPSA-N 0 1 386.504 3.421 20 30 GGEDMN CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736534970 1449115621 /nfs/dbraw/zinc/11/56/21/1449115621.db2.gz PDAILDIWNRHMMA-HNNXBMFYSA-N 0 1 389.463 3.150 20 30 GGEDMN CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736534970 1449115624 /nfs/dbraw/zinc/11/56/24/1449115624.db2.gz PDAILDIWNRHMMA-HNNXBMFYSA-N 0 1 389.463 3.150 20 30 GGEDMN CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736534970 1449115628 /nfs/dbraw/zinc/11/56/28/1449115628.db2.gz PDAILDIWNRHMMA-HNNXBMFYSA-N 0 1 389.463 3.150 20 30 GGEDMN C=CC[N@@H+](CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1)C1CC1 ZINC000823903724 1449140019 /nfs/dbraw/zinc/14/00/19/1449140019.db2.gz IQTGXQZGOQGXFG-UHFFFAOYSA-N 0 1 397.527 3.379 20 30 GGEDMN C=CC[N@H+](CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1)C1CC1 ZINC000823903724 1449140024 /nfs/dbraw/zinc/14/00/24/1449140024.db2.gz IQTGXQZGOQGXFG-UHFFFAOYSA-N 0 1 397.527 3.379 20 30 GGEDMN C=C(C)C[N@H+](C)Cc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000823878129 1449950424 /nfs/dbraw/zinc/95/04/24/1449950424.db2.gz QBUCAFXBYIJOQX-UHFFFAOYSA-N 0 1 379.464 3.462 20 30 GGEDMN C=C(C)C[N@@H+](C)Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000823878129 1449950426 /nfs/dbraw/zinc/95/04/26/1449950426.db2.gz QBUCAFXBYIJOQX-UHFFFAOYSA-N 0 1 379.464 3.462 20 30 GGEDMN C=C(C)C[N@H+](C)Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000823878129 1449950428 /nfs/dbraw/zinc/95/04/28/1449950428.db2.gz QBUCAFXBYIJOQX-UHFFFAOYSA-N 0 1 379.464 3.462 20 30 GGEDMN CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000735939806 1450067350 /nfs/dbraw/zinc/06/73/50/1450067350.db2.gz TYFFWBSDMJCOOK-AWEZNQCLSA-N 0 1 394.483 3.431 20 30 GGEDMN CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000735939806 1450067354 /nfs/dbraw/zinc/06/73/54/1450067354.db2.gz TYFFWBSDMJCOOK-AWEZNQCLSA-N 0 1 394.483 3.431 20 30 GGEDMN CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000735939806 1450067358 /nfs/dbraw/zinc/06/73/58/1450067358.db2.gz TYFFWBSDMJCOOK-AWEZNQCLSA-N 0 1 394.483 3.431 20 30 GGEDMN CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)o1 ZINC000735939382 1450095524 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C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001588440169 958328982 /nfs/dbraw/zinc/32/89/82/958328982.db2.gz ONQJKUIVQLINQB-MRXNPFEDSA-N 0 1 388.464 3.244 20 30 GGEDMN C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001588440169 958328995 /nfs/dbraw/zinc/32/89/95/958328995.db2.gz ONQJKUIVQLINQB-MRXNPFEDSA-N 0 1 388.464 3.244 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588544998 958990844 /nfs/dbraw/zinc/99/08/44/958990844.db2.gz GDRKAGZUFWSUDH-HOTGVXAUSA-N 0 1 375.444 3.038 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588545163 958993997 /nfs/dbraw/zinc/99/39/97/958993997.db2.gz OMHBAZUEDJOYQZ-JXFKEZNVSA-N 0 1 377.444 3.006 20 30 GGEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588545163 958994009 /nfs/dbraw/zinc/99/40/09/958994009.db2.gz OMHBAZUEDJOYQZ-JXFKEZNVSA-N 0 1 377.444 3.006 20 30 GGEDMN 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C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC001588516905 983563238 /nfs/dbraw/zinc/56/32/38/983563238.db2.gz HLRYXAPKWGKKNX-MRXNPFEDSA-N 0 1 383.473 3.297 20 30 GGEDMN C=C(CCC(=O)[O-])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001588623201 983727113 /nfs/dbraw/zinc/72/71/13/983727113.db2.gz LMWBLQRDBDUZAY-SFHVURJKSA-N 0 1 384.501 3.385 20 30 GGEDMN C=C(CCC(=O)[O-])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001588623201 983727116 /nfs/dbraw/zinc/72/71/16/983727116.db2.gz LMWBLQRDBDUZAY-SFHVURJKSA-N 0 1 384.501 3.385 20 30 GGEDMN C=CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001588728384 983982206 /nfs/dbraw/zinc/98/22/06/983982206.db2.gz JHLUJEYYDWRKIW-ZFWWWQNUSA-N 0 1 385.245 3.185 20 30 GGEDMN C=CC[C@H](C(=O)[O-])[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588731215 984007010 /nfs/dbraw/zinc/00/70/10/984007010.db2.gz FJYWNGMOWGUTJP-GVDBMIGSSA-N 0 1 378.444 3.148 20 30 GGEDMN C=CC[N@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1ccc(Cl)s1 ZINC001588828904 984310202 /nfs/dbraw/zinc/31/02/02/984310202.db2.gz SMSCOASIEZNCEY-DHDCSXOGSA-N 0 1 386.926 3.281 20 30 GGEDMN CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001589021877 985014998 /nfs/dbraw/zinc/01/49/98/985014998.db2.gz XVZLWZDBTGVMMU-MQSCRBSSSA-N 0 1 376.456 3.227 20 30 GGEDMN CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCC(C#N)(C(=O)[O-])CC1 ZINC001596740702 985053554 /nfs/dbraw/zinc/05/35/54/985053554.db2.gz XZDGVADJQAXOIG-UHFFFAOYSA-N 0 1 381.432 3.223 20 30 GGEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](CCC(=O)[O-])CC(C)C)c1C#N ZINC001599973103 986043059 /nfs/dbraw/zinc/04/30/59/986043059.db2.gz IFGWWRBKKRCYLW-UHFFFAOYSA-N 0 1 396.491 3.337 20 30 GGEDMN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589431097 986725334 /nfs/dbraw/zinc/72/53/34/986725334.db2.gz DMQZCCYXLHYFOT-PXAZEXFGSA-N 0 1 383.835 3.223 20 30 GGEDMN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589431097 986725338 /nfs/dbraw/zinc/72/53/38/986725338.db2.gz DMQZCCYXLHYFOT-PXAZEXFGSA-N 0 1 383.835 3.223 20 30 GGEDMN CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)ccc1OC ZINC001594725430 987231223 /nfs/dbraw/zinc/23/12/23/987231223.db2.gz WLUSBOHAYYBZMN-YPMHNXCESA-N 0 1 375.450 3.382 20 30 GGEDMN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001590139962 989406276 /nfs/dbraw/zinc/40/62/76/989406276.db2.gz QOWRRRUUGXIGCN-DKIMLUQUSA-N 0 1 385.464 3.062 20 30 GGEDMN CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@H+]2[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001590168340 989488195 /nfs/dbraw/zinc/48/81/95/989488195.db2.gz HHSNRBMCSDILBJ-GXPWMBGSSA-N 0 1 399.491 3.453 20 30 GGEDMN CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001590184987 989536442 /nfs/dbraw/zinc/53/64/42/989536442.db2.gz MVJNSOMBCGUETA-QAPCUYQASA-N 0 1 387.480 3.311 20 30 GGEDMN C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598437024 991836863 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391.471 3.333 20 30 GGEDMN COc1cccc([C@@H]2[C@@H](NCc3cccc(C(=O)[O-])c3C#N)CC[N@H+]2C2CC2)c1 ZINC001599667412 994752815 /nfs/dbraw/zinc/75/28/15/994752815.db2.gz NOZWSDRTHHBBKV-FCHUYYIVSA-N 0 1 391.471 3.333 20 30 GGEDMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C(=O)[O-])C1 ZINC001598801151 996139833 /nfs/dbraw/zinc/13/98/33/996139833.db2.gz QSIWZZGUGXVAMH-XLIONFOSSA-N 0 1 378.428 3.063 20 30 GGEDMN C[C@H](c1ncc(C(=O)[O-])s1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001593732105 996308021 /nfs/dbraw/zinc/30/80/21/996308021.db2.gz NXYYCYFRUMFMQF-GFCCVEGCSA-N 0 1 384.461 3.125 20 30 GGEDMN COc1cc(C#N)ccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC001599348260 998047453 /nfs/dbraw/zinc/04/74/53/998047453.db2.gz VCACYCOJNWFXGI-GOSISDBHSA-N 0 1 396.443 3.158 20 30 GGEDMN COc1cc(C#N)ccc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC001599348260 998047465 /nfs/dbraw/zinc/04/74/65/998047465.db2.gz VCACYCOJNWFXGI-GOSISDBHSA-N 0 1 396.443 3.158 20 30 GGEDMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001594412978 999543863 /nfs/dbraw/zinc/54/38/63/999543863.db2.gz XCZYDTIKYBDWML-FHLIZLRMSA-N 0 1 387.480 3.167 20 30 GGEDMN C[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001594412981 999544144 /nfs/dbraw/zinc/54/41/44/999544144.db2.gz XCZYDTIKYBDWML-ZTFGCOKTSA-N 0 1 387.480 3.167 20 30 GGEDMN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCCC[C@@H]3C(=O)[O-])sc2C1 ZINC001594441438 999627296 /nfs/dbraw/zinc/62/72/96/999627296.db2.gz CIIXSCIPCCNWMS-XJKSGUPXSA-N 0 1 389.521 3.402 20 30 GGEDMN COc1ccccc1C[C@@](C)(CO)NCc1cc(C#N)ccc1Br ZINC001620536916 1126240865 /nfs/dbraw/zinc/24/08/65/1126240865.db2.gz HQCOHSYAWBZGMP-IBGZPJMESA-N 0 1 389.293 3.413 20 30 GGEDMN COc1ccccc1C[C@@](C)(CO)NCc1ccc(Br)cc1C#N ZINC001644309139 1126247235 /nfs/dbraw/zinc/24/72/35/1126247235.db2.gz WKKZGEMEQSRXJB-IBGZPJMESA-N 0 1 389.293 3.413 20 30 GGEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)cc1 ZINC000024346100 212112688 /nfs/dbraw/zinc/11/26/88/212112688.db2.gz QCGFECPIPCIDBA-UHFFFAOYSA-N 0 1 393.472 3.344 20 30 GGEDMN CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC000011265544 221113201 /nfs/dbraw/zinc/11/32/01/221113201.db2.gz OCZZREYNMXVVJR-UHFFFAOYSA-N 0 1 383.351 3.336 20 30 GGEDMN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(C)C[C@H]2CCOC2)c1C#N ZINC000079020427 222299672 /nfs/dbraw/zinc/29/96/72/222299672.db2.gz FDVOUGZHIWEEHM-MRXNPFEDSA-N 0 1 384.455 3.012 20 30 GGEDMN C=CCN(CCc1ccco1)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000095466196 518774836 /nfs/dbraw/zinc/77/48/36/518774836.db2.gz KIRPWLLOXZDOJX-UHFFFAOYSA-N 0 1 395.385 3.366 20 30 GGEDMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000005997830 524191349 /nfs/dbraw/zinc/19/13/49/524191349.db2.gz PHANHAJKRMUDDD-KRWDZBQOSA-N 0 1 393.900 3.280 20 30 GGEDMN N#CCCn1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)n1 ZINC000117855303 564233175 /nfs/dbraw/zinc/23/31/75/564233175.db2.gz RTLPCRGNHPNPKJ-UHFFFAOYSA-N 0 1 385.225 3.202 20 30 GGEDMN COc1ccc([C@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)cc1Br ZINC000007879425 564242563 /nfs/dbraw/zinc/24/25/63/564242563.db2.gz RIGAVFXREXVDTC-SJCJKPOMSA-N 0 1 382.302 3.163 20 30 GGEDMN C=C(C)CNS(=O)(=O)c1scc(Br)c1Br ZINC000119178069 564257937 /nfs/dbraw/zinc/25/79/37/564257937.db2.gz RGWIVOAWEPRPEK-UHFFFAOYSA-N 0 1 375.107 3.128 20 30 GGEDMN C=CCCS(=O)(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000120068034 564303055 /nfs/dbraw/zinc/30/30/55/564303055.db2.gz ZIBVXZHMDMURFN-UHFFFAOYSA-N 0 1 390.483 3.006 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)c(F)c1 ZINC000124230547 564475766 /nfs/dbraw/zinc/47/57/66/564475766.db2.gz NSFYGDGRCZXGLG-CQSZACIVSA-N 0 1 384.404 3.491 20 30 GGEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCSc3c(F)cccc32)c(F)c1 ZINC000124230374 564476361 /nfs/dbraw/zinc/47/63/61/564476361.db2.gz NSFYGDGRCZXGLG-AWEZNQCLSA-N 0 1 384.404 3.491 20 30 GGEDMN C=CCOc1c(Br)cc(CN(C)CCn2cccn2)cc1OC ZINC000125289218 564509448 /nfs/dbraw/zinc/50/94/48/564509448.db2.gz 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O=C(Nc1ccc(Br)cn1)[C@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC000330097852 565691944 /nfs/dbraw/zinc/69/19/44/565691944.db2.gz BFVQYDRQKJXSNT-AAEUAGOBSA-N 0 1 381.274 3.263 20 30 GGEDMN O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCCN1C1CC1 ZINC000330203599 565697098 /nfs/dbraw/zinc/69/70/98/565697098.db2.gz AYGLWGMVLUNGJA-AWEZNQCLSA-N 0 1 381.270 3.304 20 30 GGEDMN Cc1cc(Br)c2c(c1)CN(C(=O)N[C@@H]1CCn3ccnc3C1)CC2 ZINC000330197562 565697158 /nfs/dbraw/zinc/69/71/58/565697158.db2.gz RXHFNZMQYNOBDP-CQSZACIVSA-N 0 1 389.297 3.241 20 30 GGEDMN Cc1cc(Br)c2c(c1)CN(C(=O)N[C@H]1CCn3ccnc3C1)CC2 ZINC000330197561 565697585 /nfs/dbraw/zinc/69/75/85/565697585.db2.gz RXHFNZMQYNOBDP-AWEZNQCLSA-N 0 1 389.297 3.241 20 30 GGEDMN COc1c(Cl)cc(NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1Cl ZINC000330351082 565703263 /nfs/dbraw/zinc/70/32/63/565703263.db2.gz LUVWHTHYCUNFPJ-GFCCVEGCSA-N 0 1 386.239 3.048 20 30 GGEDMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)[C@@H](C)C1 ZINC000330556185 565711850 /nfs/dbraw/zinc/71/18/50/565711850.db2.gz 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/nfs/dbraw/zinc/27/90/74/567279074.db2.gz BTDBSJUJFPLMDP-UHFFFAOYSA-N 0 1 381.251 3.330 20 30 GGEDMN Cc1cccc(CNC[C@H](O)COc2ccc(C#N)cc2)c1Br ZINC000591762890 567294759 /nfs/dbraw/zinc/29/47/59/567294759.db2.gz AQRJSJKOZFFJSJ-INIZCTEOSA-N 0 1 375.266 3.159 20 30 GGEDMN N#Cc1ccc(Br)c(CN2CC[C@@H](C(=O)NCc3ccccc3)C2)c1 ZINC000592156262 567318819 /nfs/dbraw/zinc/31/88/19/567318819.db2.gz WANIJQHGFPVJDV-QGZVFWFLSA-N 0 1 398.304 3.459 20 30 GGEDMN COc1ccc(S(=O)(=O)Nc2ccc(C#N)c(F)c2)c(Br)c1 ZINC000568458130 567330228 /nfs/dbraw/zinc/33/02/28/567330228.db2.gz VCBUMNGDNSFERL-UHFFFAOYSA-N 0 1 385.214 3.269 20 30 GGEDMN C=C[C@@](C)(CCOC)C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000527327827 567330800 /nfs/dbraw/zinc/33/08/00/567330800.db2.gz GJYMWTOHCMKWHC-INIZCTEOSA-N 0 1 379.258 3.402 20 30 GGEDMN CCOc1cc(C#N)cc(Br)c1OCc1nc([C@H]2CCCN2)no1 ZINC000592356732 567332272 /nfs/dbraw/zinc/33/22/72/567332272.db2.gz GXWRPDMNRNXLHF-GFCCVEGCSA-N 0 1 393.241 3.106 20 30 GGEDMN N#CC1(NC(=O)CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)CCC1 ZINC000527377111 567334920 /nfs/dbraw/zinc/33/49/20/567334920.db2.gz LMMNSQXSQWCXHY-MRXNPFEDSA-N 0 1 380.261 3.191 20 30 GGEDMN C=CC(C)(C)CNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000456113846 567343036 /nfs/dbraw/zinc/34/30/36/567343036.db2.gz HUEPUKPPCYOWLS-UHFFFAOYSA-N 0 1 396.228 3.075 20 30 GGEDMN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1noc2c1COCC2 ZINC000527593008 567345010 /nfs/dbraw/zinc/34/50/10/567345010.db2.gz SBRJIGHPILXHGR-SECBINFHSA-N 0 1 380.187 3.015 20 30 GGEDMN N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1noc2c1COCC2 ZINC000527593008 567345017 /nfs/dbraw/zinc/34/50/17/567345017.db2.gz SBRJIGHPILXHGR-SECBINFHSA-N 0 1 380.187 3.015 20 30 GGEDMN COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500794106 567345810 /nfs/dbraw/zinc/34/58/10/567345810.db2.gz KBAVTZKZBGLMDV-UHFFFAOYSA-N 0 1 379.869 3.083 20 30 GGEDMN C[C@@H](NCCS(=O)(=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000548932110 567362083 /nfs/dbraw/zinc/36/20/83/567362083.db2.gz 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567446626 /nfs/dbraw/zinc/44/66/26/567446626.db2.gz NJBDBHOZSHBAPR-UHFFFAOYSA-N 0 1 394.243 3.247 20 30 GGEDMN COC[C@]1(NCc2ccc(C#N)cc2Br)COc2ccccc2C1 ZINC000528747501 567452746 /nfs/dbraw/zinc/45/27/46/567452746.db2.gz MRQDPTYHSPHBSP-IBGZPJMESA-N 0 1 387.277 3.431 20 30 GGEDMN CC(=O)NCCN(CCCSCC#N)Cc1ccc(Br)s1 ZINC000503213252 567474123 /nfs/dbraw/zinc/47/41/23/567474123.db2.gz XMTUBRNTKKLOKY-UHFFFAOYSA-N 0 1 390.372 3.096 20 30 GGEDMN Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000619754643 567480665 /nfs/dbraw/zinc/48/06/65/567480665.db2.gz GPKCMZALKPOMSP-ZDUSSCGKSA-N 0 1 377.897 3.327 20 30 GGEDMN CCN(CC)CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C#N)o1 ZINC000594730791 567505088 /nfs/dbraw/zinc/50/50/88/567505088.db2.gz PDAZJLNCRIMSSK-UHFFFAOYSA-N 0 1 381.885 3.342 20 30 GGEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000551716231 567531609 /nfs/dbraw/zinc/53/16/09/567531609.db2.gz QMLZOERTPVVPDD-GUYCJALGSA-N 0 1 378.314 3.474 20 30 GGEDMN 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QYRBRDCVSNYKLL-UHFFFAOYSA-N 0 1 385.516 3.237 20 30 GGEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000736201931 599855833 /nfs/dbraw/zinc/85/58/33/599855833.db2.gz LAAUWNHKLYPIKK-HUUCEWRRSA-N 0 1 375.494 3.206 20 30 GGEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000736201931 599855835 /nfs/dbraw/zinc/85/58/35/599855835.db2.gz LAAUWNHKLYPIKK-HUUCEWRRSA-N 0 1 375.494 3.206 20 30 GGEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000736546455 599855889 /nfs/dbraw/zinc/85/58/89/599855889.db2.gz YKRCDYQLURQLBM-CABCVRRESA-N 0 1 375.494 3.349 20 30 GGEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000736546455 599855890 /nfs/dbraw/zinc/85/58/90/599855890.db2.gz YKRCDYQLURQLBM-CABCVRRESA-N 0 1 375.494 3.349 20 30 GGEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c1C#N ZINC000738170869 600135268 /nfs/dbraw/zinc/13/52/68/600135268.db2.gz PWIVJQYJWKKQFF-MRXNPFEDSA-N 0 1 386.496 3.217 20 30 GGEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1C#N ZINC000738170869 600135271 /nfs/dbraw/zinc/13/52/71/600135271.db2.gz PWIVJQYJWKKQFF-MRXNPFEDSA-N 0 1 386.496 3.217 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736218742 600136494 /nfs/dbraw/zinc/13/64/94/600136494.db2.gz BAPROIPFUDJBLT-CHWSQXEVSA-N 0 1 375.494 3.012 20 30 GGEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736218742 600136496 /nfs/dbraw/zinc/13/64/96/600136496.db2.gz BAPROIPFUDJBLT-CHWSQXEVSA-N 0 1 375.494 3.012 20 30 GGEDMN Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c1C#N ZINC000738252874 600289880 /nfs/dbraw/zinc/28/98/80/600289880.db2.gz JWRYQZVGJWTVKO-GOSISDBHSA-N 0 1 398.507 3.217 20 30 GGEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736200788 600290302 /nfs/dbraw/zinc/29/03/02/600290302.db2.gz DFKLTBIJHWYBFU-GJZGRUSLSA-N 0 1 387.505 3.064 20 30 GGEDMN C[N@@H+](CCOc1ccc(Br)cc1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737448634 600562503 /nfs/dbraw/zinc/56/25/03/600562503.db2.gz FUPJURDHXJJZTP-KRWDZBQOSA-N 0 1 389.249 3.457 20 30 GGEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000739105803 600566388 /nfs/dbraw/zinc/56/63/88/600566388.db2.gz ODPBBQVHZVTLJU-IBGZPJMESA-N 0 1 397.862 3.185 20 30 GGEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000739107354 600567008 /nfs/dbraw/zinc/56/70/08/600567008.db2.gz WRHRBPKPZCRHEU-LJQANCHMSA-N 0 1 397.862 3.185 20 30 GGEDMN N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000739112008 600804113 /nfs/dbraw/zinc/80/41/13/600804113.db2.gz XNYRSIWYLBCEAT-UYAOXDASSA-N 0 1 396.418 3.278 20 30 GGEDMN N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)[O-])C2)sc2c1CCCCC2 ZINC000739092804 600843296 /nfs/dbraw/zinc/84/32/96/600843296.db2.gz KNUNWMRKJONICA-ZDUSSCGKSA-N 0 1 375.494 3.014 20 30 GGEDMN CC(C)c1cnc(CN(C)[C@H]2CC[N@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000827139077 601027521 /nfs/dbraw/zinc/02/75/21/601027521.db2.gz FDOPQUWCSXPCQF-PXNSSMCTSA-N 0 1 382.464 3.002 20 30 GGEDMN CC(C)c1cnc(CN(C)[C@@H]2CC[N@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000827139079 601028279 /nfs/dbraw/zinc/02/82/79/601028279.db2.gz FDOPQUWCSXPCQF-YLJYHZDGSA-N 0 1 382.464 3.002 20 30 GGEDMN COc1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC(F)F ZINC000832310434 601311788 /nfs/dbraw/zinc/31/17/88/601311788.db2.gz ANDKAZFLAUSFNL-QGZVFWFLSA-N 0 1 376.359 3.426 20 30 GGEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000833074166 601312328 /nfs/dbraw/zinc/31/23/28/601312328.db2.gz QKFFQLMRPCOWHF-CRAIPNDOSA-N 0 1 398.850 3.083 20 30 GGEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000833073891 601322485 /nfs/dbraw/zinc/32/24/85/601322485.db2.gz JOXRKNANVUSBRH-BBRMVZONSA-N 0 1 378.354 3.305 20 30 GGEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000833073892 601322650 /nfs/dbraw/zinc/32/26/50/601322650.db2.gz JOXRKNANVUSBRH-CJNGLKHVSA-N 0 1 378.354 3.305 20 30 GGEDMN C[N@@H+](CC(C)(C)CNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830702048 601323931 /nfs/dbraw/zinc/32/39/31/601323931.db2.gz JNTURIRJQODYOF-MRXNPFEDSA-N 0 1 375.469 3.167 20 30 GGEDMN C[N@@H+](CC(C)(C)CNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830702500 601355688 /nfs/dbraw/zinc/35/56/88/601355688.db2.gz WRXCBGVSFKTHHC-MRXNPFEDSA-N 0 1 375.469 3.167 20 30 GGEDMN N#Cc1cccc(-c2nnc(C[N@H+]3C[C@H](C4CCCCC4)C[C@@H]3C(=O)[O-])o2)c1 ZINC000833074064 601430722 /nfs/dbraw/zinc/43/07/22/601430722.db2.gz NQIVBDMCYGBJRN-QZTJIDSGSA-N 0 1 380.448 3.464 20 30 GGEDMN N#Cc1cccc(-c2nnc(C[N@@H+]3C[C@H](C4CCCCC4)C[C@@H]3C(=O)[O-])o2)c1 ZINC000833074064 601430723 /nfs/dbraw/zinc/43/07/23/601430723.db2.gz NQIVBDMCYGBJRN-QZTJIDSGSA-N 0 1 380.448 3.464 20 30 GGEDMN 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ZINC000178101588 1428981791 /nfs/dbraw/zinc/98/17/91/1428981791.db2.gz NOASJAVEXPBDAE-SFHVURJKSA-N 0 1 375.472 3.020 20 30 GGEDMN C[C@@H](Sc1nc(-c2cccnc2)n[nH]1)C(=O)N(CCC#N)c1ccccc1 ZINC000127392625 1415763789 /nfs/dbraw/zinc/76/37/89/1415763789.db2.gz FXZKORLLWKRWHU-CQSZACIVSA-N 0 1 378.461 3.294 20 30 GGEDMN C=C(C)COCCNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000127447142 1415781471 /nfs/dbraw/zinc/78/14/71/1415781471.db2.gz HDDAXTUXLUFYCJ-HXUWFJFHSA-N 0 1 375.513 3.114 20 30 GGEDMN C=C(C)COCCNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000127446911 1415781992 /nfs/dbraw/zinc/78/19/92/1415781992.db2.gz HDDAXTUXLUFYCJ-FQEVSTJZSA-N 0 1 375.513 3.114 20 30 GGEDMN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000127586021 1415814262 /nfs/dbraw/zinc/81/42/62/1415814262.db2.gz BEIQQOSNPMPGCW-ZIAGYGMSSA-N 0 1 380.448 3.203 20 30 GGEDMN C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCCN(c2ccccc2C#N)CC1 ZINC000128025623 1415895400 /nfs/dbraw/zinc/89/54/00/1415895400.db2.gz VMRHRUULTBQRMZ-IBGZPJMESA-N 0 1 388.515 3.044 20 30 GGEDMN C=C(C)Cn1c(SCC(=O)Nc2ccc3[nH]nnc3c2)nnc1-c1ccco1 ZINC000128654651 1416034204 /nfs/dbraw/zinc/03/42/04/1416034204.db2.gz NQLUCDHMNHCEJI-UHFFFAOYSA-N 0 1 395.448 3.116 20 30 GGEDMN N#Cc1cccc(OCCCN2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000178296832 1429045202 /nfs/dbraw/zinc/04/52/02/1429045202.db2.gz ZGCUUTBOMLMCNI-UHFFFAOYSA-N 0 1 381.451 3.314 20 30 GGEDMN C=CCOc1ccc(CN2CCCN(CC(=O)N3CCCC3)CC2)cc1Cl ZINC000129272370 1416183452 /nfs/dbraw/zinc/18/34/52/1416183452.db2.gz QZTMWJMTIHBGQA-UHFFFAOYSA-N 0 1 391.943 3.035 20 30 GGEDMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2C)N2CCCC2)cc1 ZINC000178458772 1429081695 /nfs/dbraw/zinc/08/16/95/1429081695.db2.gz IEAFSWFYDNMKMG-NRFANRHFSA-N 0 1 390.487 3.067 20 30 GGEDMN N#CC(C(=O)c1ccc(C(N)=O)nc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000129883991 1416279547 /nfs/dbraw/zinc/27/95/47/1416279547.db2.gz OFJQKMOGLRNQIB-ZDUSSCGKSA-N 0 1 382.832 3.447 20 30 GGEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1sccc1Br ZINC000129960210 1416291737 /nfs/dbraw/zinc/29/17/37/1416291737.db2.gz NWQNCAKLQUHCQO-VIFPVBQESA-N 0 1 379.235 3.480 20 30 GGEDMN C=C(C)COCCNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000130011349 1416302278 /nfs/dbraw/zinc/30/22/78/1416302278.db2.gz APLDIJUIHTUXEV-UHFFFAOYSA-N 0 1 379.932 3.444 20 30 GGEDMN CCN(CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1c(C)cccc1C ZINC000130040603 1416307328 /nfs/dbraw/zinc/30/73/28/1416307328.db2.gz UCXJZWPXNLUJPM-UHFFFAOYSA-N 0 1 378.476 3.464 20 30 GGEDMN Cc1ccc(-n2cc(C(=O)C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)nn2)cc1 ZINC000130253635 1416347183 /nfs/dbraw/zinc/34/71/83/1416347183.db2.gz VNZBTCWGQCVIMZ-AWEZNQCLSA-N 0 1 397.797 3.329 20 30 GGEDMN CC(=O)NCCCCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130481117 1416385361 /nfs/dbraw/zinc/38/53/61/1416385361.db2.gz GHJBHVDEOJLDFG-OAHLLOKOSA-N 0 1 384.263 3.337 20 30 GGEDMN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)C(C#N)C(=O)NC(C)C)cc12 ZINC000130552089 1416397617 /nfs/dbraw/zinc/39/76/17/1416397617.db2.gz SNYJMUBIHLEHFS-HNNXBMFYSA-N 0 1 384.436 3.382 20 30 GGEDMN CCOc1cc(CN(C)Cc2cccc(C#N)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000130755314 1416442850 /nfs/dbraw/zinc/44/28/50/1416442850.db2.gz QRYPPRPYCWEOCB-QGZVFWFLSA-N 0 1 395.503 3.444 20 30 GGEDMN Cc1ccc2nc([C@@H]3CCCN(CC(=O)NC4(C#N)CCCCC4)C3)[nH]c2c1 ZINC000130851360 1416467891 /nfs/dbraw/zinc/46/78/91/1416467891.db2.gz NICBMFSVTCQKEE-QGZVFWFLSA-N 0 1 379.508 3.393 20 30 GGEDMN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)C(C#N)C(=O)NC(C)C ZINC000130879283 1416474193 /nfs/dbraw/zinc/47/41/93/1416474193.db2.gz JRNFWPWDRUTXFU-ZDUSSCGKSA-N 0 1 390.896 3.160 20 30 GGEDMN COc1ccccc1[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)N1CCCC1 ZINC000130898365 1416477443 /nfs/dbraw/zinc/47/74/43/1416477443.db2.gz MLLFIMWBWACUMR-OAQYLSRUSA-N 0 1 393.487 3.093 20 30 GGEDMN CC(C)NC(=O)C(C#N)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000130902861 1416478385 /nfs/dbraw/zinc/47/83/85/1416478385.db2.gz KXHVTOJGMYUBGN-HNNXBMFYSA-N 0 1 391.880 3.151 20 30 GGEDMN CC(C)NC(=O)C(C#N)C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000130957916 1416487361 /nfs/dbraw/zinc/48/73/61/1416487361.db2.gz WXKQNGWEJGNHDS-INIZCTEOSA-N 0 1 389.249 3.215 20 30 GGEDMN CCOc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000131170220 1416518858 /nfs/dbraw/zinc/51/88/58/1416518858.db2.gz WXYJBFMDPQCGGT-QGZVFWFLSA-N 0 1 395.503 3.444 20 30 GGEDMN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ncn(-c2ccccc2)n1 ZINC000131225519 1416525933 /nfs/dbraw/zinc/52/59/33/1416525933.db2.gz RJUIIHLSUJUJRF-ZDUSSCGKSA-N 0 1 383.770 3.021 20 30 GGEDMN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ncn(-c2ccccc2)n1 ZINC000131225329 1416526083 /nfs/dbraw/zinc/52/60/83/1416526083.db2.gz RJUIIHLSUJUJRF-CYBMUJFWSA-N 0 1 383.770 3.021 20 30 GGEDMN C=C(C)COc1cc(CNc2ccc(N3CCN(C)CC3)cn2)ccc1OC ZINC000131516520 1416569933 /nfs/dbraw/zinc/56/99/33/1416569933.db2.gz HOXNQQPOBQVSBY-UHFFFAOYSA-N 0 1 382.508 3.409 20 30 GGEDMN CCC(CC)[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)N1CCOCC1 ZINC000131663307 1416592698 /nfs/dbraw/zinc/59/26/98/1416592698.db2.gz OFLCKDQETQHGSB-RTWAWAEBSA-N 0 1 386.540 3.468 20 30 GGEDMN CCN1CCN(c2ccc(CNC(=O)Nc3cccc(C#N)c3C)cc2F)CC1 ZINC000178572893 1429110445 /nfs/dbraw/zinc/11/04/45/1429110445.db2.gz YAWAKALQHNVHIS-UHFFFAOYSA-N 0 1 395.482 3.469 20 30 GGEDMN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000131786600 1416620675 /nfs/dbraw/zinc/62/06/75/1416620675.db2.gz JIQHPZXQWIKPIS-INIZCTEOSA-N 0 1 378.363 3.186 20 30 GGEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000131964965 1416661998 /nfs/dbraw/zinc/66/19/98/1416661998.db2.gz YLCVAHWQJCVQES-ROUUACIJSA-N 0 1 392.565 3.169 20 30 GGEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@]1(CO)CCc2ccccc21 ZINC000132282055 1416728537 /nfs/dbraw/zinc/72/85/37/1416728537.db2.gz PEWWBCAFUGOPMJ-KSFYIVLOSA-N 0 1 395.528 3.300 20 30 GGEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000132398516 1416752466 /nfs/dbraw/zinc/75/24/66/1416752466.db2.gz GMISXBQACIZBJN-KRWDZBQOSA-N 0 1 389.540 3.393 20 30 GGEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@]1(CO)CCc2ccccc21 ZINC000132415898 1416756471 /nfs/dbraw/zinc/75/64/71/1416756471.db2.gz JBJWKCCIDJRXNU-OPAMFIHVSA-N 0 1 395.528 3.443 20 30 GGEDMN C=C(C)COc1cc(CNCCS(=O)(=O)c2ccc(F)cc2)ccc1OC ZINC000132539892 1416781331 /nfs/dbraw/zinc/78/13/31/1416781331.db2.gz MVJLXZJAMXOIPQ-UHFFFAOYSA-N 0 1 393.480 3.353 20 30 GGEDMN Cn1ncc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1C(F)(F)F ZINC000132608708 1416793415 /nfs/dbraw/zinc/79/34/15/1416793415.db2.gz MCEREOZJOXHQTJ-UHFFFAOYSA-N 0 1 377.414 3.018 20 30 GGEDMN COC(=O)c1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000132657658 1416800641 /nfs/dbraw/zinc/80/06/41/1416800641.db2.gz DAXMZFLNRGZDGT-VIFPVBQESA-N 0 1 381.171 3.334 20 30 GGEDMN COC(=O)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000132657658 1416800645 /nfs/dbraw/zinc/80/06/45/1416800645.db2.gz DAXMZFLNRGZDGT-VIFPVBQESA-N 0 1 381.171 3.334 20 30 GGEDMN C=C(C)COCCNC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000132726398 1416808723 /nfs/dbraw/zinc/80/87/23/1416808723.db2.gz XRZISPONJSLOOX-UHFFFAOYSA-N 0 1 394.518 3.180 20 30 GGEDMN CCCCNC(=O)C1(NCC(=O)Nc2sc(C)c(C)c2C#N)CCCCC1 ZINC000132793127 1416815784 /nfs/dbraw/zinc/81/57/84/1416815784.db2.gz BWSVRJXQNDRTBM-UHFFFAOYSA-N 0 1 390.553 3.384 20 30 GGEDMN CCCCNC(=O)C1(NCC(=O)Nc2cc(Cl)ccc2C#N)CCCCC1 ZINC000132823215 1416819709 /nfs/dbraw/zinc/81/97/09/1416819709.db2.gz MZACRLQSMKARDD-UHFFFAOYSA-N 0 1 390.915 3.359 20 30 GGEDMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2cccc(OCC#N)c2)CC1 ZINC000132883456 1416826939 /nfs/dbraw/zinc/82/69/39/1416826939.db2.gz XHMMLYRTFVPTBF-QGZVFWFLSA-N 0 1 393.491 3.009 20 30 GGEDMN C[C@@H](CS(=O)(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000133061245 1416847546 /nfs/dbraw/zinc/84/75/46/1416847546.db2.gz TUMGJQINXMPYGU-SFHVURJKSA-N 0 1 385.533 3.055 20 30 GGEDMN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000133294122 1416875469 /nfs/dbraw/zinc/87/54/69/1416875469.db2.gz QJQXBAXIMXXFAN-UHFFFAOYSA-N 0 1 396.472 3.288 20 30 GGEDMN N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000133308432 1416877014 /nfs/dbraw/zinc/87/70/14/1416877014.db2.gz ZJDQCMMYPABEQW-UHFFFAOYSA-N 0 1 392.846 3.428 20 30 GGEDMN CCCCCCNC(=O)[C@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000133425156 1416888658 /nfs/dbraw/zinc/88/86/58/1416888658.db2.gz BODWXXMIOYCHEY-PZJWPPBQSA-N 0 1 396.535 3.072 20 30 GGEDMN Cc1cccc(S(=O)(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c1C#N ZINC000133550566 1416901573 /nfs/dbraw/zinc/90/15/73/1416901573.db2.gz HZKMKYPOAUYHPX-UHFFFAOYSA-N 0 1 398.410 3.177 20 30 GGEDMN N#Cc1c(NC(=O)CCN2CCCC3(C2)OCCO3)sc2c1CCCCC2 ZINC000133672489 1416937120 /nfs/dbraw/zinc/93/71/20/1416937120.db2.gz MJDHTCMUNORILV-UHFFFAOYSA-N 0 1 389.521 3.056 20 30 GGEDMN N#CC(C(=O)CCCOc1ccc2c(c1)CCCC2)C(=O)Nc1ccccn1 ZINC000134185036 1417035016 /nfs/dbraw/zinc/03/50/16/1417035016.db2.gz OCXQXQKIBDXEGU-LJQANCHMSA-N 0 1 377.444 3.467 20 30 GGEDMN CN1CCN(c2ccc(Cl)cc2NC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000134672078 1417110895 /nfs/dbraw/zinc/11/08/95/1417110895.db2.gz FQIQCVOFUZCVIN-UHFFFAOYSA-N 0 1 398.894 3.175 20 30 GGEDMN C=C(C)COCCNC(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000135016697 1417161710 /nfs/dbraw/zinc/16/17/10/1417161710.db2.gz RJTYVPSMZJMIJP-LJQANCHMSA-N 0 1 375.513 3.114 20 30 GGEDMN C=C(C)COCCNC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000135030188 1417164907 /nfs/dbraw/zinc/16/49/07/1417164907.db2.gz WUJGOWMWDVQVPZ-KRWDZBQOSA-N 0 1 385.430 3.172 20 30 GGEDMN N#CCC[C@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000178774733 1429166153 /nfs/dbraw/zinc/16/61/53/1429166153.db2.gz BMLMBKGAZCZBJX-NRFANRHFSA-N 0 1 377.492 3.390 20 30 GGEDMN C[C@H]1CN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3C#N)cc2)CCO1 ZINC000135327110 1417207997 /nfs/dbraw/zinc/20/79/97/1417207997.db2.gz SCJVTYCVVUWHJF-ZDUSSCGKSA-N 0 1 391.880 3.238 20 30 GGEDMN C#CCSCCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000135481077 1417225539 /nfs/dbraw/zinc/22/55/39/1417225539.db2.gz XZTFADDUADNSBR-YOEHRIQHSA-N 0 1 383.920 3.138 20 30 GGEDMN CC[C@]1(C)CN(CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 ZINC000135728318 1417262464 /nfs/dbraw/zinc/26/24/64/1417262464.db2.gz NJBHJNYMBGNSQU-JOCHJYFZSA-N 0 1 398.507 3.447 20 30 GGEDMN CC[C@@]1(C)CN(CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 ZINC000135728352 1417263029 /nfs/dbraw/zinc/26/30/29/1417263029.db2.gz NJBHJNYMBGNSQU-QFIPXVFZSA-N 0 1 398.507 3.447 20 30 GGEDMN C=CCNc1ncc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)s1 ZINC000136049111 1417288518 /nfs/dbraw/zinc/28/85/18/1417288518.db2.gz HNSJXZWDOPDWPF-KRWDZBQOSA-N 0 1 386.521 3.317 20 30 GGEDMN N#Cc1ccc(CN2CCCN(C(=O)Cc3ccc(O)cc3Cl)CC2)cc1 ZINC000136095022 1417291503 /nfs/dbraw/zinc/29/15/03/1417291503.db2.gz WHYYENXCKKRCBP-UHFFFAOYSA-N 0 1 383.879 3.194 20 30 GGEDMN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000178805283 1429175636 /nfs/dbraw/zinc/17/56/36/1429175636.db2.gz RZEDXUSMQHSOGC-AREMUKBSSA-N 0 1 389.908 3.410 20 30 GGEDMN COc1cccc(NC(=O)C(C#N)C(=O)c2cnc(-c3ccccn3)s2)c1 ZINC000136577250 1417328399 /nfs/dbraw/zinc/32/83/99/1417328399.db2.gz JZXVJHZPUFVXGD-CQSZACIVSA-N 0 1 378.413 3.175 20 30 GGEDMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000178805375 1429175806 /nfs/dbraw/zinc/17/58/06/1429175806.db2.gz RDOHUHFIDOLZQA-QGZVFWFLSA-N 0 1 393.491 3.009 20 30 GGEDMN Cc1cc(S(=O)(=O)Nc2ccc(OC(C)C)c(C#N)c2)ccc1[N+](=O)[O-] ZINC000178804237 1429175857 /nfs/dbraw/zinc/17/58/57/1429175857.db2.gz KTZQHWVBLCOJBO-UHFFFAOYSA-N 0 1 375.406 3.363 20 30 GGEDMN COc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2)sc1Br ZINC000136595149 1417330936 /nfs/dbraw/zinc/33/09/36/1417330936.db2.gz KZELZDZIKXJTSL-SNVBAGLBSA-N 0 1 379.235 3.480 20 30 GGEDMN N#Cc1ccccc1OCCN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136706506 1417340996 /nfs/dbraw/zinc/34/09/96/1417340996.db2.gz NNNDPRSYKSLELI-KRWDZBQOSA-N 0 1 387.365 3.453 20 30 GGEDMN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(C#N)cc1F ZINC000178810465 1429177255 /nfs/dbraw/zinc/17/72/55/1429177255.db2.gz QSUOPHMFQPIUSW-UHFFFAOYSA-N 0 1 390.417 3.499 20 30 GGEDMN Cc1cccc(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)c1C#N ZINC000137225106 1417375909 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CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000179742620 1429532828 /nfs/dbraw/zinc/53/28/28/1429532828.db2.gz GIKXSQNQAWYUDA-AUUYWEPGSA-N 0 1 377.444 3.202 20 30 GGEDMN CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179744429 1429533254 /nfs/dbraw/zinc/53/32/54/1429533254.db2.gz CGZZLQWNDQHXCT-HNNXBMFYSA-N 0 1 380.452 3.364 20 30 GGEDMN N#Cc1ccc(O)c(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)c1 ZINC000179734211 1429528614 /nfs/dbraw/zinc/52/86/14/1429528614.db2.gz IDDMMUJPDSUFOR-UHFFFAOYSA-N 0 1 378.432 3.015 20 30 GGEDMN CCOC(=O)N1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000179746236 1429534840 /nfs/dbraw/zinc/53/48/40/1429534840.db2.gz XJMIVLFREPAUTQ-UHFFFAOYSA-N 0 1 381.480 3.128 20 30 GGEDMN Cc1oc(NC(=O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(C#N)c1C ZINC000179750263 1429537685 /nfs/dbraw/zinc/53/76/85/1429537685.db2.gz OKHJLXBPSUGMHW-HXUWFJFHSA-N 0 1 381.432 3.219 20 30 GGEDMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000152742046 1422232763 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376.395 3.443 20 30 GGEDMN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153254746 1422421774 /nfs/dbraw/zinc/42/17/74/1422421774.db2.gz LEABTAPJDBXPKG-JTQLQIEISA-N 0 1 395.294 3.062 20 30 GGEDMN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153254814 1422422423 /nfs/dbraw/zinc/42/24/23/1422422423.db2.gz LEABTAPJDBXPKG-SNVBAGLBSA-N 0 1 395.294 3.062 20 30 GGEDMN CN1CCN(Cc2cccc(C(=O)N[C@H](CCC#N)c3ccccc3)c2)CC1 ZINC000153328071 1422472829 /nfs/dbraw/zinc/47/28/29/1422472829.db2.gz IJNVRYOFBBHHLS-JOCHJYFZSA-N 0 1 376.504 3.209 20 30 GGEDMN Cn1c2cc(C(=O)C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc2[nH]c1=O ZINC000153350299 1422484320 /nfs/dbraw/zinc/48/43/20/1422484320.db2.gz MWWSLMKLAAKTKC-HNNXBMFYSA-N 0 1 399.435 3.352 20 30 GGEDMN N#CC(C(=O)C=Cc1ccc(Cl)nc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000179789849 1429565638 /nfs/dbraw/zinc/56/56/38/1429565638.db2.gz KIZGUASPRKWVKB-OWNNVSBGSA-N 0 1 391.822 3.135 20 30 GGEDMN C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 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CN(C)c1cccc(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000155283558 1423299366 /nfs/dbraw/zinc/29/93/66/1423299366.db2.gz WJCIFSGLIWALED-UHFFFAOYSA-N 0 1 391.519 3.042 20 30 GGEDMN C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824984550 1423379941 /nfs/dbraw/zinc/37/99/41/1423379941.db2.gz LIDVJNHSCDZKKZ-ZDUSSCGKSA-N 0 1 396.886 3.225 20 30 GGEDMN C[C@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824984550 1423379950 /nfs/dbraw/zinc/37/99/50/1423379950.db2.gz LIDVJNHSCDZKKZ-ZDUSSCGKSA-N 0 1 396.886 3.225 20 30 GGEDMN C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824984550 1423379960 /nfs/dbraw/zinc/37/99/60/1423379960.db2.gz LIDVJNHSCDZKKZ-ZDUSSCGKSA-N 0 1 396.886 3.225 20 30 GGEDMN Cc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1C1CCOCC1 ZINC000155517641 1423396754 /nfs/dbraw/zinc/39/67/54/1423396754.db2.gz WNAKAODULADNRH-AWEZNQCLSA-N 0 1 378.354 3.447 20 30 GGEDMN Cc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1C1CCOCC1 ZINC000155517641 1423396765 /nfs/dbraw/zinc/39/67/65/1423396765.db2.gz WNAKAODULADNRH-AWEZNQCLSA-N 0 1 378.354 3.447 20 30 GGEDMN Cc1cccc(C(=O)N2CCCN(CCCOc3cccc(C#N)c3)CC2)c1 ZINC000155533840 1423404714 /nfs/dbraw/zinc/40/47/14/1423404714.db2.gz UOMGZXLODSEQQJ-UHFFFAOYSA-N 0 1 377.488 3.484 20 30 GGEDMN CS(=O)(=O)c1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc32)cs1 ZINC000155575471 1423426518 /nfs/dbraw/zinc/42/65/18/1423426518.db2.gz REFUFGHPHNXNCI-HNNXBMFYSA-N 0 1 398.465 3.266 20 30 GGEDMN CS(=O)(=O)c1cc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)cs1 ZINC000155575471 1423426524 /nfs/dbraw/zinc/42/65/24/1423426524.db2.gz REFUFGHPHNXNCI-HNNXBMFYSA-N 0 1 398.465 3.266 20 30 GGEDMN COc1ccc(CN(CC(=O)Nc2ccc(C#N)cc2)[C@H](CO)C(C)C)cc1 ZINC000179925761 1429644686 /nfs/dbraw/zinc/64/46/86/1429644686.db2.gz YWPSEGFUGDCDLB-OAQYLSRUSA-N 0 1 381.476 3.024 20 30 GGEDMN COc1ccc(CN(CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](CO)C(C)C)cc1 ZINC000179926630 1429645741 /nfs/dbraw/zinc/64/57/41/1429645741.db2.gz HPIUNLMFZSOSSO-HXUWFJFHSA-N 0 1 399.491 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ZINC000161243031 1424669558 /nfs/dbraw/zinc/66/95/58/1424669558.db2.gz COSXALBZWFQHOE-UHFFFAOYSA-N 0 1 376.409 3.178 20 30 GGEDMN CCc1ccc(C(O)=C(C#N)c2nc3ccccc3n2C)cc1S(C)(=O)=O ZINC000161887776 1424789196 /nfs/dbraw/zinc/78/91/96/1424789196.db2.gz UBZXLEJQHCVBHT-OAHLLOKOSA-N 0 1 381.457 3.029 20 30 GGEDMN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC[C@@H]2C(C)(C)O)c1C#N ZINC000162586736 1424869166 /nfs/dbraw/zinc/86/91/66/1424869166.db2.gz BITCJXRUKYYPOX-LJQANCHMSA-N 0 1 398.482 3.279 20 30 GGEDMN COC(=O)[C@@H](c1ccccc1C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000162724675 1424885139 /nfs/dbraw/zinc/88/51/39/1424885139.db2.gz KUDLCSSRSVXKFY-JOCHJYFZSA-N 0 1 377.488 3.289 20 30 GGEDMN C[C@@H](NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1 ZINC000180150692 1429763084 /nfs/dbraw/zinc/76/30/84/1429763084.db2.gz QFSZJIFDYASGSC-MRXNPFEDSA-N 0 1 382.895 3.211 20 30 GGEDMN COc1cc(/C=C/C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1OCC#N ZINC000180157096 1429767249 /nfs/dbraw/zinc/76/72/49/1429767249.db2.gz JVETWQXDSKDLOK-CDLAPJCCSA-N 0 1 391.471 3.172 20 30 GGEDMN CN1CCN(Cc2cccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c2)CC1 ZINC000163533154 1425012381 /nfs/dbraw/zinc/01/23/81/1425012381.db2.gz FGPPZPVIQRVANP-UHFFFAOYSA-N 0 1 392.503 3.102 20 30 GGEDMN CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@H](C)c1ccc(C#N)cc1 ZINC000825435288 1425030411 /nfs/dbraw/zinc/03/04/11/1425030411.db2.gz SIADQXSFZFPTNW-CQSZACIVSA-N 0 1 390.447 3.108 20 30 GGEDMN CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000825435288 1425030414 /nfs/dbraw/zinc/03/04/14/1425030414.db2.gz SIADQXSFZFPTNW-CQSZACIVSA-N 0 1 390.447 3.108 20 30 GGEDMN CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000825435288 1425030420 /nfs/dbraw/zinc/03/04/20/1425030420.db2.gz SIADQXSFZFPTNW-CQSZACIVSA-N 0 1 390.447 3.108 20 30 GGEDMN C=CCc1cc(CN2CCN(c3ncnc4sccc43)CC2)c(O)c(OC)c1 ZINC000163978285 1425064616 /nfs/dbraw/zinc/06/46/16/1425064616.db2.gz WYZOCECBYQYFIV-UHFFFAOYSA-N 0 1 396.516 3.456 20 30 GGEDMN 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N#Cc1ccc(-c2nnc(CN3CCC[C@@H](c4nnc5ccccn54)C3)o2)cc1 ZINC000173776238 1426848017 /nfs/dbraw/zinc/84/80/17/1426848017.db2.gz NVUWOXRFXISEJU-QGZVFWFLSA-N 0 1 385.431 3.031 20 30 GGEDMN C[C@@H](CCc1cccn1C)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000173826732 1426861894 /nfs/dbraw/zinc/86/18/94/1426861894.db2.gz DTXXOOYESMRWBA-IBGZPJMESA-N 0 1 393.535 3.135 20 30 GGEDMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)CC1 ZINC000173882357 1426880737 /nfs/dbraw/zinc/88/07/37/1426880737.db2.gz CKWXPPCQFFXKEZ-UHFFFAOYSA-N 0 1 376.504 3.487 20 30 GGEDMN C[C@@H](Oc1cccc(Br)c1)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000173960987 1426910708 /nfs/dbraw/zinc/91/07/08/1426910708.db2.gz DLSKPAVRXGCHKW-MLGOLLRUSA-N 0 1 393.281 3.374 20 30 GGEDMN C[C@H](Oc1cccc(Br)c1)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000173960978 1426911032 /nfs/dbraw/zinc/91/10/32/1426911032.db2.gz DLSKPAVRXGCHKW-BLLLJJGKSA-N 0 1 393.281 3.374 20 30 GGEDMN N#CCCN(C(=O)CN1CC[C@H](COCc2ccccc2)C1)c1ccccc1 ZINC000173984451 1426926906 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C[C@H]1CN(CCCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000174088631 1426995970 /nfs/dbraw/zinc/99/59/70/1426995970.db2.gz RCECONKELVJRHO-STQMWFEESA-N 0 1 384.402 3.198 20 30 GGEDMN CN(C)C(=O)c1cccc(CON=C(N)c2ccc(N3CCCCC3)cc2)c1 ZINC000174128240 1427013429 /nfs/dbraw/zinc/01/34/29/1427013429.db2.gz HASLBKCBTXUNLP-UHFFFAOYSA-N 0 1 380.492 3.216 20 30 GGEDMN NC(=NOCc1ccc(OC(F)F)cc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000174126856 1427013730 /nfs/dbraw/zinc/01/37/30/1427013730.db2.gz GHILEAAFNNIEJE-UHFFFAOYSA-N 0 1 391.418 3.086 20 30 GGEDMN COc1ccc(C)cc1NC(=O)CON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000174128780 1427014562 /nfs/dbraw/zinc/01/45/62/1427014562.db2.gz NVABBZXXNDPLGI-UHFFFAOYSA-N 0 1 396.491 3.270 20 30 GGEDMN C[C@@H](NC(=O)CON=C(N)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000174129493 1427014672 /nfs/dbraw/zinc/01/46/72/1427014672.db2.gz FDWZXCIBQPDZJQ-QGZVFWFLSA-N 0 1 380.492 3.191 20 30 GGEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)C[C@H]2CCCOC2)c1C#N ZINC000174141498 1427019431 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COc1cc(C#N)ccc1OCCCC(=O)N1CCN(C)CC12CCCCC2 ZINC000174567658 1427228211 /nfs/dbraw/zinc/22/82/11/1427228211.db2.gz GRAUGOWSWQDGCZ-UHFFFAOYSA-N 0 1 385.508 3.203 20 30 GGEDMN N#C[C@H](c1ccccc1)N1CCN(CCC(=O)NCc2ccccc2Cl)CC1 ZINC000174578311 1427237057 /nfs/dbraw/zinc/23/70/57/1427237057.db2.gz UWNIBPYFGMZCPF-OAQYLSRUSA-N 0 1 396.922 3.229 20 30 GGEDMN N#Cc1cc(NC(=O)c2cc(-c3ccccc3)n[nH]2)ccc1N1CCC(O)CC1 ZINC000174583724 1427240574 /nfs/dbraw/zinc/24/05/74/1427240574.db2.gz RVOUGNIWNCCRGT-UHFFFAOYSA-N 0 1 387.443 3.162 20 30 GGEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000174627215 1427273934 /nfs/dbraw/zinc/27/39/34/1427273934.db2.gz XGVAFLHAJJIULB-UHFFFAOYSA-N 0 1 390.531 3.358 20 30 GGEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)Nc3cccc(C)c3C#N)[nH]c2c1 ZINC000174645433 1427284761 /nfs/dbraw/zinc/28/47/61/1427284761.db2.gz XVJCXGTZJIRPQE-LJQANCHMSA-N 0 1 387.443 3.354 20 30 GGEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)[C@H]1CSCN1C(=O)CC(C)(C)C ZINC000175083807 1427537875 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C[C@@H]1[C@@H](c2ccccc2)CCN1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000175268884 1427636529 /nfs/dbraw/zinc/63/65/29/1427636529.db2.gz RYKYICCJIPFUHI-NIJIEXERSA-N 0 1 388.471 3.161 20 30 GGEDMN C[C@H]1[C@@H](c2ccccc2)CCN1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000175269329 1427637498 /nfs/dbraw/zinc/63/74/98/1427637498.db2.gz FFADRZLPOBVSKQ-UWJYYQICSA-N 0 1 388.471 3.158 20 30 GGEDMN C=CCN(Cc1ccccc1F)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000175319844 1427675600 /nfs/dbraw/zinc/67/56/00/1427675600.db2.gz FJZBSUWDSJYGRR-UHFFFAOYSA-N 0 1 383.448 3.039 20 30 GGEDMN COC[C@@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(C)o1 ZINC000175661901 1427848399 /nfs/dbraw/zinc/84/83/99/1427848399.db2.gz DUPCLBZMCISPFJ-HXUWFJFHSA-N 0 1 396.491 3.065 20 30 GGEDMN N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826380585 1427897563 /nfs/dbraw/zinc/89/75/63/1427897563.db2.gz GHLNJGHXHXNHQB-UHFFFAOYSA-N 0 1 376.439 3.500 20 30 GGEDMN Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000175845299 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COc1ccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)N(C)C)cc1OC ZINC000193103616 1432936195 /nfs/dbraw/zinc/93/61/95/1432936195.db2.gz QTSQQSQMUDLSOO-IBGZPJMESA-N 0 1 396.491 3.020 20 30 GGEDMN Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)c2cnn(C(C)C)c2n1 ZINC000193261252 1432969556 /nfs/dbraw/zinc/96/95/56/1432969556.db2.gz AKSCYXMKGQXUPR-OAHLLOKOSA-N 0 1 377.452 3.129 20 30 GGEDMN Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)c2cnn(C(C)C)c2n1 ZINC000193261268 1432969723 /nfs/dbraw/zinc/96/97/23/1432969723.db2.gz AKSCYXMKGQXUPR-HNNXBMFYSA-N 0 1 377.452 3.129 20 30 GGEDMN Cc1nc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)ccc1C#N ZINC000193334650 1432981335 /nfs/dbraw/zinc/98/13/35/1432981335.db2.gz DNURVVBVFZRNLA-UHFFFAOYSA-N 0 1 391.475 3.329 20 30 GGEDMN Cc1nn(Cc2ccccc2)c2sc(C(=O)C(C#N)C(=O)NC3CC3)cc12 ZINC000193459750 1433002893 /nfs/dbraw/zinc/00/28/93/1433002893.db2.gz MMIPJERMPBHUML-INIZCTEOSA-N 0 1 378.457 3.056 20 30 GGEDMN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cc2ccccc2[nH]c1=O ZINC000193475797 1433005241 /nfs/dbraw/zinc/00/52/41/1433005241.db2.gz DDKSTMSTCBPFGJ-ZDUSSCGKSA-N 0 1 383.766 3.282 20 30 GGEDMN Cc1nn(Cc2ccccc2)c2sc(C(=O)C(C#N)C(=O)NC(C)C)cc12 ZINC000193482813 1433006445 /nfs/dbraw/zinc/00/64/45/1433006445.db2.gz ILBAOEVTGGOAKU-INIZCTEOSA-N 0 1 380.473 3.302 20 30 GGEDMN C[C@H]1CN(Cc2ccccc2NCC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000193508470 1433011228 /nfs/dbraw/zinc/01/12/28/1433011228.db2.gz IPIGCPWMERHZGS-IRXDYDNUSA-N 0 1 378.476 3.218 20 30 GGEDMN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc(F)cc3[nH]cnc32)C1=O ZINC000193712585 1433045146 /nfs/dbraw/zinc/04/51/46/1433045146.db2.gz SUTYMDITDIYJIV-IBGZPJMESA-N 0 1 389.431 3.018 20 30 GGEDMN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc(F)cc3[nH]cnc32)C1=O ZINC000193712573 1433045264 /nfs/dbraw/zinc/04/52/64/1433045264.db2.gz SUTYMDITDIYJIV-LJQANCHMSA-N 0 1 389.431 3.018 20 30 GGEDMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2OCC#N)CC1 ZINC000194105806 1433118668 /nfs/dbraw/zinc/11/86/68/1433118668.db2.gz QLVDHTYIXCTKGT-UHFFFAOYSA-N 0 1 384.867 3.246 20 30 GGEDMN N#Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000194139809 1433124224 /nfs/dbraw/zinc/12/42/24/1433124224.db2.gz DHDRLIUTILITST-UHFFFAOYSA-N 0 1 382.195 3.030 20 30 GGEDMN N#CCCN(C(=O)CSc1nc(-c2ccccc2O)n[nH]1)c1ccccc1 ZINC000194457726 1433181362 /nfs/dbraw/zinc/18/13/62/1433181362.db2.gz IECDSRYVWAWINF-UHFFFAOYSA-N 0 1 379.445 3.216 20 30 GGEDMN N#Cc1ccsc1N1CC[C@H](Sc2nc(-c3ccccc3O)n[nH]2)C1=O ZINC000194583237 1433201410 /nfs/dbraw/zinc/20/14/10/1433201410.db2.gz OSASXMRIHAYEEK-ZDUSSCGKSA-N 0 1 383.458 3.008 20 30 GGEDMN N#Cc1ccc(N2CCC[C@@H](Sc3nc(-c4ccccc4O)n[nH]3)C2=O)cc1 ZINC000194584427 1433201725 /nfs/dbraw/zinc/20/17/25/1433201725.db2.gz CWLRIIIGXOUKDM-QGZVFWFLSA-N 0 1 391.456 3.337 20 30 GGEDMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000194856619 1433249569 /nfs/dbraw/zinc/24/95/69/1433249569.db2.gz KFYZGKAHXWEKGC-HDICACEKSA-N 0 1 377.488 3.026 20 30 GGEDMN COc1cc(C(C)=O)ccc1OC[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194961316 1433273062 /nfs/dbraw/zinc/27/30/62/1433273062.db2.gz NSISRNGWIBSDKW-OAQYLSRUSA-N 0 1 394.471 3.174 20 30 GGEDMN Cc1csc([C@@H](C#N)C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)n1 ZINC000195049102 1433285375 /nfs/dbraw/zinc/28/53/75/1433285375.db2.gz UDHQTMBEPZQBON-JTQLQIEISA-N 0 1 399.291 3.108 20 30 GGEDMN Cc1csc(C(C#N)C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)n1 ZINC000195049102 1433285378 /nfs/dbraw/zinc/28/53/78/1433285378.db2.gz UDHQTMBEPZQBON-JTQLQIEISA-N 0 1 399.291 3.108 20 30 GGEDMN Cc1cccc(S(=O)(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)c1C#N ZINC000195343520 1433321113 /nfs/dbraw/zinc/32/11/13/1433321113.db2.gz WMCQNHJGENAYHP-UHFFFAOYSA-N 0 1 385.489 3.456 20 30 GGEDMN COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000195373622 1433323613 /nfs/dbraw/zinc/32/36/13/1433323613.db2.gz HEZAGESHTYKKJI-GOSISDBHSA-N 0 1 390.443 3.494 20 30 GGEDMN C[N@@H+](CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000195614335 1433341993 /nfs/dbraw/zinc/34/19/93/1433341993.db2.gz URUHFTDTHQXBOW-UHFFFAOYSA-N 0 1 389.421 3.488 20 30 GGEDMN COc1ccc(-c2n[nH]c(NC(=O)C=Cc3ccccc3C#N)n2)c(OC)c1 ZINC000206724925 1433353960 /nfs/dbraw/zinc/35/39/60/1433353960.db2.gz ITGMGGOQPFBPHM-YFHOEESVSA-N 0 1 375.388 3.012 20 30 GGEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000216166898 1433363007 /nfs/dbraw/zinc/36/30/07/1433363007.db2.gz ATPQRLUWZCBNBE-KRWDZBQOSA-N 0 1 393.553 3.086 20 30 GGEDMN C[C@@H](C#N)Oc1ccc(CNCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000237496164 1433406282 /nfs/dbraw/zinc/40/62/82/1433406282.db2.gz LNIYEQQTHLZKOT-JTSKRJEESA-N 0 1 393.487 3.176 20 30 GGEDMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H](C)O1 ZINC000245199236 1433453813 /nfs/dbraw/zinc/45/38/13/1433453813.db2.gz CJAZARCYOKEMIM-SOLBZPMBSA-N 0 1 387.528 3.220 20 30 GGEDMN CCCC(=O)NC[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000245391930 1433458773 /nfs/dbraw/zinc/45/87/73/1433458773.db2.gz SDSQMOAHPMYSCL-WOJBJXKFSA-N 0 1 398.551 3.259 20 30 GGEDMN CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245513834 1433479973 /nfs/dbraw/zinc/47/99/73/1433479973.db2.gz AZVXMCUCXXQKII-DSKINZAPSA-N 0 1 396.535 3.070 20 30 GGEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)C[C@H]2CCCC[C@H]2O)c1C#N ZINC000245542865 1433483144 /nfs/dbraw/zinc/48/31/44/1433483144.db2.gz KJGYREBNTPAKOC-YLJYHZDGSA-N 0 1 398.507 3.039 20 30 GGEDMN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)C(=O)Nc3ccccc3C#N)ccc2NC1=O ZINC000245586086 1433488065 /nfs/dbraw/zinc/48/80/65/1433488065.db2.gz AISRXKNGLBGBAY-LPMFXHHGSA-N 0 1 392.459 3.346 20 30 GGEDMN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000245699607 1433502324 /nfs/dbraw/zinc/50/23/24/1433502324.db2.gz YYAUBPQQLAKJOH-SFTDATJTSA-N 0 1 393.487 3.142 20 30 GGEDMN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245715139 1433505062 /nfs/dbraw/zinc/50/50/62/1433505062.db2.gz GKCQYEZPWJWSNL-SWLSCSKDSA-N 0 1 398.898 3.414 20 30 GGEDMN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000245715139 1433505068 /nfs/dbraw/zinc/50/50/68/1433505068.db2.gz GKCQYEZPWJWSNL-SWLSCSKDSA-N 0 1 398.898 3.414 20 30 GGEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000245778117 1433516477 /nfs/dbraw/zinc/51/64/77/1433516477.db2.gz HGYBOMXUSNPIEF-IAGOWNOFSA-N 0 1 377.916 3.439 20 30 GGEDMN C[C@@H](c1ccccc1)N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245900153 1433537923 /nfs/dbraw/zinc/53/79/23/1433537923.db2.gz RYGZZKLJGLFLKX-PGRDOPGGSA-N 0 1 394.494 3.228 20 30 GGEDMN C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245952740 1433550345 /nfs/dbraw/zinc/55/03/45/1433550345.db2.gz BKIQORNNSKDKHU-CEXWTWQISA-N 0 1 377.271 3.489 20 30 GGEDMN Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000246000344 1433555857 /nfs/dbraw/zinc/55/58/57/1433555857.db2.gz YDECFKWQKNLMCT-PMACEKPBSA-N 0 1 393.535 3.318 20 30 GGEDMN N#Cc1ccc(N2C(=O)C[C@H](N3CC[C@@H](CSc4ccccc4)C3)C2=O)cc1 ZINC000246165286 1433576932 /nfs/dbraw/zinc/57/69/32/1433576932.db2.gz MFBLTDJBIGOOSQ-XLIONFOSSA-N 0 1 391.496 3.304 20 30 GGEDMN C[C@H]1CN([C@H](CNCc2ccc(C#N)o2)c2c(F)cccc2Cl)CCO1 ZINC000246188306 1433579784 /nfs/dbraw/zinc/57/97/84/1433579784.db2.gz NWOXEQPCUPXCTK-SCLBCKFNSA-N 0 1 377.847 3.495 20 30 GGEDMN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN(C)C[C@@H]2CCC[C@H]2O)c1C#N ZINC000246414384 1433609093 /nfs/dbraw/zinc/60/90/93/1433609093.db2.gz IDOMIYBFKJVHTF-OXJNMPFZSA-N 0 1 398.482 3.136 20 30 GGEDMN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN(C)C[C@H]2CCC[C@H]2O)c1C#N ZINC000246414394 1433609148 /nfs/dbraw/zinc/60/91/48/1433609148.db2.gz IDOMIYBFKJVHTF-OXQOHEQNSA-N 0 1 398.482 3.136 20 30 GGEDMN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCC[C@@H]2C[C@H](C)O)c1C#N ZINC000246489072 1433620196 /nfs/dbraw/zinc/62/01/96/1433620196.db2.gz AORZUGPEZNEQCS-IFXJQAMLSA-N 0 1 398.482 3.279 20 30 GGEDMN Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246543641 1433628377 /nfs/dbraw/zinc/62/83/77/1433628377.db2.gz QLDHVOJIASTUAE-FXAWDEMLSA-N 0 1 383.517 3.198 20 30 GGEDMN Cc1cc(N(CCC#N)C(=O)CN2CC[C@H]3OCCC[C@H]3C2)ccc1Cl ZINC000246654854 1433645925 /nfs/dbraw/zinc/64/59/25/1433645925.db2.gz LLCSRLHDHVMBRM-QFBILLFUSA-N 0 1 375.900 3.396 20 30 GGEDMN CN(C(=O)CN1CCC[C@@H]1C[C@@H](O)c1cccs1)C1(C#N)CCCCC1 ZINC000247232577 1433693963 /nfs/dbraw/zinc/69/39/63/1433693963.db2.gz SFCUDNLGZJEZJM-IAGOWNOFSA-N 0 1 375.538 3.321 20 30 GGEDMN COc1ccc(CN2CCCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1 ZINC000247881091 1433754780 /nfs/dbraw/zinc/75/47/80/1433754780.db2.gz JBXOFDRRNNDOLH-UHFFFAOYSA-N 0 1 377.488 3.234 20 30 GGEDMN Cc1ccccc1CN(C)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000248026833 1433764121 /nfs/dbraw/zinc/76/41/21/1433764121.db2.gz GZUDSXLNIMKCCU-UHFFFAOYSA-N 0 1 390.531 3.033 20 30 GGEDMN CCOC(=O)[C@]1(C(C)C)CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000248687287 1433815320 /nfs/dbraw/zinc/81/53/20/1433815320.db2.gz AMINCHRBJIIZQV-XMSQKQJNSA-N 0 1 385.508 3.233 20 30 GGEDMN C[C@H](CCO)N(Cc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248770094 1433821438 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