smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#C[C@H](NCc1oc(Br)cc1C(=O)[O-])C1CCOCC1 ZINC001588376249 983350712 /nfs/dbraw/zinc/35/07/12/983350712.db2.gz CDRRSXQZNSVWCJ-NSHDSACASA-N -1 1 342.189 2.258 20 30 EEEDMM C=C[C@@H](C(=O)[O-])N1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1 ZINC001588664278 983799551 /nfs/dbraw/zinc/79/95/51/983799551.db2.gz PFSMPHYRTQUYBK-HNNXBMFYSA-N -1 1 345.395 2.154 20 30 EEEDMM C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001593259833 994542290 /nfs/dbraw/zinc/54/22/90/994542290.db2.gz ABHNXJWDJUWPHT-SNVBAGLBSA-N -1 1 344.396 2.392 20 30 EEEDMM CC1=C(C(=O)[O-])C[C@H](CN2CCC(C#N)(c3ccccn3)CC2)O1 ZINC001594100987 998115877 /nfs/dbraw/zinc/11/58/77/998115877.db2.gz ZZZQHZWTHCTZES-CQSZACIVSA-N -1 1 327.384 2.086 20 30 EEEDMM C=C(Br)CN(C)CCCN(C)C(=O)c1ncccc1[O-] ZINC001440427609 1093626598 /nfs/dbraw/zinc/62/65/98/1093626598.db2.gz UEURVAIVBJEUGP-UHFFFAOYSA-N -1 1 342.237 2.090 20 30 EEEDMM CCC(CC)(NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1nn[n-]n1 ZINC001467795178 1110463794 /nfs/dbraw/zinc/46/37/94/1110463794.db2.gz ZRHWICRIXLZHDX-LBPRGKRZSA-N -1 1 326.404 2.082 20 30 EEEDMM C=CC[C@H](C)NC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000267020108 201221820 /nfs/dbraw/zinc/22/18/20/201221820.db2.gz BUOPXBVBLSLUQA-JTQLQIEISA-N -1 1 327.406 2.153 20 30 EEEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)ccc1C ZINC000075081356 292179326 /nfs/dbraw/zinc/17/93/26/292179326.db2.gz DZJKUWHQSYVGPX-UHFFFAOYSA-N -1 1 330.365 2.454 20 30 EEEDMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000090421705 292218175 /nfs/dbraw/zinc/21/81/75/292218175.db2.gz HTKYHYOMMVLCLG-UHFFFAOYSA-N -1 1 339.380 2.248 20 30 EEEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cccc(C#N)c1 ZINC000091161254 159203616 /nfs/dbraw/zinc/20/36/16/159203616.db2.gz FJNRMOYKVHFKNU-UHFFFAOYSA-N -1 1 333.344 2.321 20 30 EEEDMM C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)C1 ZINC000355750872 163290322 /nfs/dbraw/zinc/29/03/22/163290322.db2.gz VGENZDXLWVEZNE-STQMWFEESA-N -1 1 336.461 2.259 20 30 EEEDMM N#Cc1ccc(CSCC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000076462188 462863676 /nfs/dbraw/zinc/86/36/76/462863676.db2.gz UUONSTRYHYKWPE-UHFFFAOYSA-N -1 1 339.380 2.230 20 30 EEEDMM C=CCN(CC1CCCCC1)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000133757707 462967464 /nfs/dbraw/zinc/96/74/64/462967464.db2.gz DJHJZBDXAJQZSM-UHFFFAOYSA-N -1 1 340.445 2.396 20 30 EEEDMM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1nc(C2CCCCC2)no1 ZINC000165778235 463646448 /nfs/dbraw/zinc/64/64/48/463646448.db2.gz LAEQNKXVTTVZMP-LLVKDONJSA-N -1 1 338.433 2.401 20 30 EEEDMM CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188415739 464275864 /nfs/dbraw/zinc/27/58/64/464275864.db2.gz FLZCNDFMNOWDHV-CYBMUJFWSA-N -1 1 329.400 2.032 20 30 EEEDMM C#C[C@@H](NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)C(C)(C)C ZINC000293284774 464397131 /nfs/dbraw/zinc/39/71/31/464397131.db2.gz HDGGJCMTVHKASN-IJLUTSLNSA-N -1 1 347.381 2.275 20 30 EEEDMM 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/nfs/dbraw/zinc/08/54/52/468085452.db2.gz KUPNKKIRBPXHTC-UHFFFAOYSA-N -1 1 349.412 2.307 20 30 EEEDMM C#CCN1C(=O)c2ccccc2N[C@H]1c1n[nH]c2cc(C(=O)[O-])ccc21 ZINC000490897682 468264247 /nfs/dbraw/zinc/26/42/47/468264247.db2.gz DPSJFOFFKVOWLU-QGZVFWFLSA-N -1 1 346.346 2.461 20 30 EEEDMM Cc1cnc(OC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)nc1 ZINC000594383160 468567228 /nfs/dbraw/zinc/56/72/28/468567228.db2.gz BWZQLVRYZXZXCK-UHFFFAOYSA-N -1 1 338.367 2.046 20 30 EEEDMM N#C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000594831255 468699297 /nfs/dbraw/zinc/69/92/97/468699297.db2.gz NITOCSMODPIUFQ-MWLCHTKSSA-N -1 1 333.335 2.461 20 30 EEEDMM N#CC1(CS(=O)(=O)[N-]Cc2nnc(C3CC3)s2)CCCCC1 ZINC000562787165 469070394 /nfs/dbraw/zinc/07/03/94/469070394.db2.gz QDJGAXQQBFWTPM-UHFFFAOYSA-N -1 1 340.474 2.309 20 30 EEEDMM COc1c(NC(=O)c2cc([O-])cc(C#N)c2)cc(Cl)cc1C(N)=O ZINC000586842071 469078441 /nfs/dbraw/zinc/07/84/41/469078441.db2.gz GQULHRKUSIKSQQ-UHFFFAOYSA-N -1 1 345.742 2.277 20 30 EEEDMM COC(=O)c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(OC)c1 ZINC000614874024 469080649 /nfs/dbraw/zinc/08/06/49/469080649.db2.gz WQEKNEMSEAVMOX-UHFFFAOYSA-N -1 1 326.308 2.311 20 30 EEEDMM CC(C)(C)C(=O)N1CCC(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589169717 469205873 /nfs/dbraw/zinc/20/58/73/469205873.db2.gz JDTDNSJKHCEXCF-UHFFFAOYSA-N -1 1 329.400 2.031 20 30 EEEDMM COC(=O)COc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589168004 469206760 /nfs/dbraw/zinc/20/67/60/469206760.db2.gz DHXYYEGPXIVMTE-UHFFFAOYSA-N -1 1 326.308 2.068 20 30 EEEDMM COc1cccc(N2CC[C@H](NC(=O)c3cc([O-])cc(C#N)c3)C2)c1 ZINC000589177732 469207287 /nfs/dbraw/zinc/20/72/87/469207287.db2.gz NQCOIVJOSDIYSA-HNNXBMFYSA-N -1 1 337.379 2.281 20 30 EEEDMM CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589188119 469209698 /nfs/dbraw/zinc/20/96/98/469209698.db2.gz WCRMTHHIEKMZDF-HSZRJFAPSA-N -1 1 328.393 2.273 20 30 EEEDMM CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000618480482 469362189 /nfs/dbraw/zinc/36/21/89/469362189.db2.gz GIVYOQHFUFUVLS-GOSISDBHSA-N -1 1 330.384 2.315 20 30 EEEDMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619462898 469614611 /nfs/dbraw/zinc/61/46/11/469614611.db2.gz AAQXDVMNCYTAJM-JOCHJYFZSA-N -1 1 348.449 2.432 20 30 EEEDMM N#Cc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000619781128 469681047 /nfs/dbraw/zinc/68/10/47/469681047.db2.gz VPJAORIBJUQJNA-UHFFFAOYSA-N -1 1 332.703 2.150 20 30 EEEDMM CC#CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000645884635 470449135 /nfs/dbraw/zinc/44/91/35/470449135.db2.gz LVYKLNXCPMBVAP-SECBINFHSA-N -1 1 340.203 2.185 20 30 EEEDMM CCCCC1N=NC(=S)N1N=Cc1cc(C(=O)OC)ccc1[O-] ZINC000726736885 576292987 /nfs/dbraw/zinc/29/29/87/576292987.db2.gz XUMLGXYQJYFNCX-UHFFFAOYSA-N -1 1 334.401 2.284 20 30 EEEDMM N#CCOc1ccc(COC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737698414 576335436 /nfs/dbraw/zinc/33/54/36/576335436.db2.gz YAVPHTNBVCRERI-UHFFFAOYSA-N -1 1 341.352 2.188 20 30 EEEDMM N#Cc1ccc(SCC(=O)OCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000774947166 577424347 /nfs/dbraw/zinc/42/43/47/577424347.db2.gz MYWVWDGNUQTBJX-UHFFFAOYSA-N -1 1 346.330 2.262 20 30 EEEDMM CC(=NNc1nc2c(cnn2C)c(=O)[nH]1)c1ccc([O-])c(Cl)c1 ZINC000768776757 577562245 /nfs/dbraw/zinc/56/22/45/577562245.db2.gz JZWVFKCGMNROCN-UHFFFAOYSA-N -1 1 332.751 2.264 20 30 EEEDMM C=CCC(CC=C)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000759002997 577635332 /nfs/dbraw/zinc/63/53/32/577635332.db2.gz BWAXQPHWKQMNBC-UHFFFAOYSA-N -1 1 331.368 2.263 20 30 EEEDMM CC(C)C(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000750936600 577745516 /nfs/dbraw/zinc/74/55/16/577745516.db2.gz GCWKMTWETFBHLE-UHFFFAOYSA-N -1 1 325.390 2.436 20 30 EEEDMM O=C1C(=NN=c2nc(-c3ccncc3)[n-]o2)CCN1Cc1ccccc1 ZINC000743439339 577885295 /nfs/dbraw/zinc/88/52/95/577885295.db2.gz ZMGFKVNLZMOQAN-UHFFFAOYSA-N -1 1 348.366 2.332 20 30 EEEDMM O=S1(=O)[N-]C(=NN=C2CCCc3c(O)cccc32)c2ccccc21 ZINC000743436266 577885320 /nfs/dbraw/zinc/88/53/20/577885320.db2.gz VIXCRLBWZBIOOW-UHFFFAOYSA-N -1 1 341.392 2.171 20 30 EEEDMM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)n1 ZINC000741018265 578111331 /nfs/dbraw/zinc/11/13/31/578111331.db2.gz SIXNMIRIGZKJQL-RFQIPJPRSA-N -1 1 349.456 2.432 20 30 EEEDMM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000770378337 578156086 /nfs/dbraw/zinc/15/60/86/578156086.db2.gz AGYLTONXHMGXSB-ZETCQYMHSA-N -1 1 338.173 2.417 20 30 EEEDMM CC(C)CN(CCC#N)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000735827052 578169326 /nfs/dbraw/zinc/16/93/26/578169326.db2.gz BPWWTLAUWBYRTI-UHFFFAOYSA-N -1 1 341.419 2.067 20 30 EEEDMM CC1(C)CCCC[C@H]1CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC000824802750 607779974 /nfs/dbraw/zinc/77/99/74/607779974.db2.gz PONQDKWFYAFGKY-VIFPVBQESA-N -1 1 328.380 2.006 20 30 EEEDMM C/C(=C\CN1CCN(c2c(C#N)cnc3ccccc32)CC1)C(=O)[O-] ZINC000825746349 601159893 /nfs/dbraw/zinc/15/98/93/601159893.db2.gz HBDQGYSIFGIIBB-MKMNVTDBSA-N -1 1 336.395 2.259 20 30 EEEDMM COCCOc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831783658 601302135 /nfs/dbraw/zinc/30/21/35/601302135.db2.gz NYNYQMQZDIDDSY-GOSISDBHSA-N -1 1 340.379 2.499 20 30 EEEDMM COCCOc1ccccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831783660 601302151 /nfs/dbraw/zinc/30/21/51/601302151.db2.gz NYNYQMQZDIDDSY-SFHVURJKSA-N -1 1 340.379 2.499 20 30 EEEDMM C#CCOc1ccccc1CNCc1c(C)nn(CCC(=O)[O-])c1C ZINC000833366881 605095500 /nfs/dbraw/zinc/09/55/00/605095500.db2.gz KWCBYZTYYNUBIM-UHFFFAOYSA-N -1 1 341.411 2.276 20 30 EEEDMM C=C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC000833371429 605104234 /nfs/dbraw/zinc/10/42/34/605104234.db2.gz QMSJLARPHOEWNE-HOTGVXAUSA-N -1 1 330.428 2.354 20 30 EEEDMM Cc1sc(NS(=O)(=O)c2ccc(C#N)nc2)c(C(=O)[O-])c1C ZINC000833758017 605302854 /nfs/dbraw/zinc/30/28/54/605302854.db2.gz IIZSDHZUVLRZAU-UHFFFAOYSA-N -1 1 337.382 2.131 20 30 EEEDMM COc1cccc(C#CCOC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821854854 606180593 /nfs/dbraw/zinc/18/05/93/606180593.db2.gz YCBDQPIFZZKYBD-UHFFFAOYSA-N -1 1 340.364 2.145 20 30 EEEDMM COc1cccc(C#CCOC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821854854 606180594 /nfs/dbraw/zinc/18/05/94/606180594.db2.gz YCBDQPIFZZKYBD-UHFFFAOYSA-N -1 1 340.364 2.145 20 30 EEEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)C[C@H]2CCOC2)o1 ZINC000820232550 606340650 /nfs/dbraw/zinc/34/06/50/606340650.db2.gz GQVRJCYWEACPLR-LLVKDONJSA-N -1 1 333.396 2.268 20 30 EEEDMM O=C(C=Cc1cn(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403223 608093272 /nfs/dbraw/zinc/09/32/72/608093272.db2.gz MRXCEHNZFYYTKC-VOTSOKGWSA-N -1 1 349.379 2.405 20 30 EEEDMM O=C(C=Cc1cn(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403223 608093273 /nfs/dbraw/zinc/09/32/73/608093273.db2.gz MRXCEHNZFYYTKC-VOTSOKGWSA-N -1 1 349.379 2.405 20 30 EEEDMM Cc1cc(C)n(N=C[C@H]2C(C)=CCC[C@@H]2C)c(=O)c1-c1nn[n-]n1 ZINC000824852966 608289707 /nfs/dbraw/zinc/28/97/07/608289707.db2.gz UHYXOWXGRUXONE-FZMZJTMJSA-N -1 1 326.404 2.472 20 30 EEEDMM C=C(C)CN1CC2(CCC1=O)CCN(C(=O)c1cncc([O-])c1)CC2 ZINC001271387472 1186178871 /nfs/dbraw/zinc/17/88/71/1186178871.db2.gz VQSMWBHINRHJQY-UHFFFAOYSA-N -1 1 343.427 2.208 20 30 EEEDMM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3cc([O-])cnc3Cl)C2)C1=O ZINC001272387186 1190797357 /nfs/dbraw/zinc/79/73/57/1190797357.db2.gz XXDIMADGTNIMLB-KRWDZBQOSA-N -1 1 349.818 2.081 20 30 EEEDMM C[C@H](CN(C)C(=O)c1ccc(C#N)c([O-])c1)NC(=O)OC(C)(C)C ZINC000863687429 1197810804 /nfs/dbraw/zinc/81/08/04/1197810804.db2.gz IENDUDPSSMVRQN-LLVKDONJSA-N -1 1 333.388 2.249 20 30 EEEDMM NS(=O)(=O)c1ccccc1NN=Cc1cccc([O-])c1Cl ZINC000814917531 1199805659 /nfs/dbraw/zinc/80/56/59/1199805659.db2.gz WTLNYLJLJADFOV-UHFFFAOYSA-N -1 1 325.777 2.139 20 30 EEEDMM C#CCC1(C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F)CCCCC1 ZINC000869482646 1200106065 /nfs/dbraw/zinc/10/60/65/1200106065.db2.gz QBASQPVVXNROJI-UHFFFAOYSA-N -1 1 347.333 2.141 20 30 EEEDMM C=C(C)Cn1c(CC)nnc1N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000871092655 1201048069 /nfs/dbraw/zinc/04/80/69/1201048069.db2.gz MUGJXISLYIWPHK-CQSZACIVSA-N -1 1 345.369 2.064 20 30 EEEDMM 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N#Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1Cl ZINC001592696071 1349707791 /nfs/dbraw/zinc/70/77/91/1349707791.db2.gz DFMDSGTWIFQPEU-UHFFFAOYSA-N -1 1 325.719 2.039 20 30 EEEDMM O=C1C(=Cc2nc(-c3nnn[n-]3)cs2)Cc2c1c(F)ccc2F ZINC001593379564 1349794319 /nfs/dbraw/zinc/79/43/19/1349794319.db2.gz HMBRBSDIPBUKSG-XQRVVYSFSA-N -1 1 331.307 2.424 20 30 EEEDMM O=C1C(=Cc2nc(-c3nn[n-]n3)cs2)Cc2c1c(F)ccc2F ZINC001593379564 1349794322 /nfs/dbraw/zinc/79/43/22/1349794322.db2.gz HMBRBSDIPBUKSG-XQRVVYSFSA-N -1 1 331.307 2.424 20 30 EEEDMM Cc1nn(CCC(=O)[O-])c(C)c1C=NN=c1[nH]c2ccncc2s1 ZINC001600784818 1350136583 /nfs/dbraw/zinc/13/65/83/1350136583.db2.gz WAOHNUZZYIUQPL-UHFFFAOYSA-N -1 1 344.400 2.425 20 30 EEEDMM N#Cc1c(CN2CCC[C@@H](N3CCCC3=O)CC2)cccc1C(=O)[O-] ZINC001601081121 1350204850 /nfs/dbraw/zinc/20/48/50/1350204850.db2.gz DFBJZITVKHRHRE-OAHLLOKOSA-N -1 1 341.411 2.233 20 30 EEEDMM N#Cc1cccc(CN2CCC(Nc3ccc(C(=O)[O-])nn3)CC2)c1 ZINC001601123013 1350215534 /nfs/dbraw/zinc/21/55/34/1350215534.db2.gz VMWJWNBSXAQSHT-UHFFFAOYSA-N -1 1 337.383 2.123 20 30 EEEDMM C=CC[C@H](CC)NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001602811851 1350589577 /nfs/dbraw/zinc/58/95/77/1350589577.db2.gz QSLBANLNECSIAC-VIFPVBQESA-N -1 1 340.309 2.365 20 30 EEEDMM C=CCN1CC[C@@H](N(C)Cc2ccc(C3(C(=O)[O-])CC3)cc2)C1=O ZINC001602897627 1350602011 /nfs/dbraw/zinc/60/20/11/1350602011.db2.gz BNZTZIOTRCQQJN-MRXNPFEDSA-N -1 1 328.412 2.022 20 30 EEEDMM CCCCCCC[C@@H](C)CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001604176551 1350884371 /nfs/dbraw/zinc/88/43/71/1350884371.db2.gz ULUCKEUQPLRIEA-LLVKDONJSA-N -1 1 349.439 2.075 20 30 EEEDMM CCc1oc2ccccc2c1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001604587321 1350965516 /nfs/dbraw/zinc/96/55/16/1350965516.db2.gz FMRSDDOLMVMAHL-UHFFFAOYSA-N -1 1 348.326 2.022 20 30 EEEDMM N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC001606363505 1351297269 /nfs/dbraw/zinc/29/72/69/1351297269.db2.gz IVRDAKNLSJEHDA-UHFFFAOYSA-N -1 1 327.329 2.320 20 30 EEEDMM CCc1cccc2c1NC(=O)C2=NN=c1[n-]c(-c2cccnc2)no1 ZINC000814948668 1367782034 /nfs/dbraw/zinc/78/20/34/1367782034.db2.gz ZGLICDIHAVBYEB-UHFFFAOYSA-N -1 1 334.339 2.462 20 30 EEEDMM CCc1cccc2c1NC(=O)C2=NN=c1nc(-c2cccnc2)[n-]o1 ZINC000814948668 1367782038 /nfs/dbraw/zinc/78/20/38/1367782038.db2.gz ZGLICDIHAVBYEB-UHFFFAOYSA-N -1 1 334.339 2.462 20 30 EEEDMM N#Cc1cccc(C(=O)N2CCN(c3cccc4[nH]ncc43)CC2)c1[O-] ZINC001193646597 1368467327 /nfs/dbraw/zinc/46/73/27/1368467327.db2.gz MHTJPXHHNPEJJA-UHFFFAOYSA-N -1 1 347.378 2.103 20 30 EEEDMM C=C(C)CN(C)c1nnc(-c2c[n-][nH]c2=O)n1Cc1cccs1 ZINC001344724075 1372965223 /nfs/dbraw/zinc/96/52/23/1372965223.db2.gz WDPFMDLBXDHVQA-UHFFFAOYSA-N -1 1 330.417 2.496 20 30 EEEDMM C=CCCCC(=O)N1CCCC[C@H]1[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001752834706 1406461949 /nfs/dbraw/zinc/46/19/49/1406461949.db2.gz WTSDZASTEWEQDE-GJZGRUSLSA-N -1 1 347.463 2.212 20 30 EEEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)C1CCC(F)(F)CC1 ZINC001575438095 1403549696 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2.064 20 30 EEEDMM C=C(Cl)CN1CCC2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)CC1 ZINC001040672065 1231332955 /nfs/dbraw/zinc/33/29/55/1231332955.db2.gz RRGDIAAFVWBUIC-UHFFFAOYSA-N -1 1 338.839 2.104 20 30 EEEDMM N#Cc1nc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)sc1Cl ZINC001056612332 1239448965 /nfs/dbraw/zinc/44/89/65/1239448965.db2.gz CKEAJUFPCSMFCY-MRVPVSSYSA-N -1 1 349.803 2.095 20 30 EEEDMM N#Cc1cncc(S(=O)(=O)[N-]c2ccnc(N3CCCCC3)c2)c1 ZINC000903667071 1241473670 /nfs/dbraw/zinc/47/36/70/1241473670.db2.gz WFSJQMBFBQFFSC-UHFFFAOYSA-N -1 1 343.412 2.139 20 30 EEEDMM C=CCC1(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2OC)CC1 ZINC001190813229 1281110091 /nfs/dbraw/zinc/11/00/91/1281110091.db2.gz BOHLMFYCFOHFJI-UHFFFAOYSA-N -1 1 338.429 2.247 20 30 EEEDMM Cc1noc([N-]c2ccccc2S(=O)(=O)N2CCCC2)c1C#N ZINC001192540854 1282053482 /nfs/dbraw/zinc/05/34/82/1282053482.db2.gz AZZVKHUQDQKYMN-UHFFFAOYSA-N -1 1 332.385 2.383 20 30 EEEDMM C#CCCC1(CC[N-]S(=O)(=O)c2ncccc2C(F)(F)F)N=N1 ZINC001194603348 1283200859 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EEEDMM CC(C)(C)OC(=O)N1CCOC[C@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228005596 1302052623 /nfs/dbraw/zinc/05/26/23/1302052623.db2.gz QFEYQIBBCQUVIH-CQSZACIVSA-N -1 1 334.372 2.279 20 30 EEEDMM CSc1nc(OC2CCN(c3cc(C#N)ccn3)CC2)cc(=O)[n-]1 ZINC001228094028 1302100416 /nfs/dbraw/zinc/10/04/16/1302100416.db2.gz GOPYSGXFZUMQEU-UHFFFAOYSA-N -1 1 343.412 2.219 20 30 EEEDMM N#Cc1ccc(CN2CCn3cnc(COCC4CC4)c3C2)c([O-])c1 ZINC001233385191 1304453273 /nfs/dbraw/zinc/45/32/73/1304453273.db2.gz XTMOUNCMXKEKLA-UHFFFAOYSA-N -1 1 338.411 2.403 20 30 EEEDMM C#Cc1cccc(NC(=O)CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000798163029 1304933940 /nfs/dbraw/zinc/93/39/40/1304933940.db2.gz QWIJCFOTVLBSQT-UHFFFAOYSA-N -1 1 330.290 2.020 20 30 EEEDMM CC(C)(C)C#CC(C#CC(C)(C)C)Oc1c(C(N)=O)nc[n-]c1=O ZINC001234471492 1304936138 /nfs/dbraw/zinc/93/61/38/1304936138.db2.gz FASJSCDVPJKAMG-UHFFFAOYSA-N -1 1 329.400 2.128 20 30 EEEDMM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000829712979 1314511485 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COC(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259418167 1319562713 /nfs/dbraw/zinc/56/27/13/1319562713.db2.gz OBJBMUORYKRLNW-UHFFFAOYSA-N -1 1 348.355 2.214 20 30 EEEDMM CSc1[n-]c(=O)c(C(=O)Nc2[nH][nH]c3cc(=O)ccc2-3)cc1C#N ZINC001159056358 1319582681 /nfs/dbraw/zinc/58/26/81/1319582681.db2.gz RRGOIUJXBSJZMT-UHFFFAOYSA-N -1 1 341.352 2.215 20 30 EEEDMM COc1cc(C#N)cc([N-]S(=O)(=O)c2cccc(NC(C)=O)c2)c1 ZINC001260812039 1319982994 /nfs/dbraw/zinc/98/29/94/1319982994.db2.gz UDMOHCWTSGGLIN-UHFFFAOYSA-N -1 1 345.380 2.326 20 30 EEEDMM C=CC[C@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C(=O)OCC ZINC001321037114 1333002621 /nfs/dbraw/zinc/00/26/21/1333002621.db2.gz HZACSZCFPBUIPJ-NSHDSACASA-N -1 1 335.404 2.026 20 30 EEEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)o1 ZINC001321071274 1333011664 /nfs/dbraw/zinc/01/16/64/1333011664.db2.gz ALCRDCTVEGOCKN-GNJLHFKMSA-N -1 1 336.347 2.315 20 30 EEEDMM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609057147 1351826421 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C[S@](=O)C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC001610378936 1352213225 /nfs/dbraw/zinc/21/32/25/1352213225.db2.gz KLRAXNQFMRTWEZ-OJLQRUNKSA-N -1 1 342.420 2.393 20 30 EEEDMM COc1ccc2c(c1)[C@H](Nc1cnc(C#N)c(-c3nn[n-]n3)n1)CCC2 ZINC001580051847 1344459883 /nfs/dbraw/zinc/45/98/83/1344459883.db2.gz SXUJNDFGFADNRZ-CYBMUJFWSA-N -1 1 348.370 2.026 20 30 EEEDMM Cc1ccc([C@H](C)N(C)c2cnc(-c3nnn[n-]3)c(C#N)n2)c(C)c1 ZINC001581176497 1344595005 /nfs/dbraw/zinc/59/50/05/1344595005.db2.gz GVAOOVIGGJCTIK-LBPRGKRZSA-N -1 1 334.387 2.343 20 30 EEEDMM Cc1ccc([C@H](C)N(C)c2cnc(-c3nn[n-]n3)c(C#N)n2)c(C)c1 ZINC001581176497 1344595008 /nfs/dbraw/zinc/59/50/08/1344595008.db2.gz GVAOOVIGGJCTIK-LBPRGKRZSA-N -1 1 334.387 2.343 20 30 EEEDMM C=CC[C@@H]1CCN1C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588564930 1348917395 /nfs/dbraw/zinc/91/73/95/1348917395.db2.gz VBLMMJJRMBKZOM-SECBINFHSA-N -1 1 338.293 2.071 20 30 EEEDMM CC(C)(C#N)CCCCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001589033347 1348953834 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CSc1ccccc1[C@@H](C)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001591718295 1349534278 /nfs/dbraw/zinc/53/42/78/1349534278.db2.gz YFJHJDCUAAIOQY-SECBINFHSA-N -1 1 338.400 2.423 20 30 EEEDMM N#Cc1ncn(CCc2cccc(OC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC001592709553 1349710300 /nfs/dbraw/zinc/71/03/00/1349710300.db2.gz JIVAHVSYXCGBDN-UHFFFAOYSA-N -1 1 349.276 2.076 20 30 EEEDMM C#CC[C@H](COC)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC001602683147 1350572833 /nfs/dbraw/zinc/57/28/33/1350572833.db2.gz JKRZJPRZSYTMPZ-ZWNOBZJWSA-N -1 1 326.190 2.203 20 30 EEEDMM C=CCCCCn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001602837611 1350594095 /nfs/dbraw/zinc/59/40/95/1350594095.db2.gz AFZXPLQAWZPKHD-UHFFFAOYSA-N -1 1 340.343 2.446 20 30 EEEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC001602878596 1350599828 /nfs/dbraw/zinc/59/98/28/1350599828.db2.gz DRXDYOWBZBLDTP-QWRGUYRKSA-N -1 1 340.391 2.139 20 30 EEEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC001602878596 1350599829 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CN(C[C@H]1CCN1Cc1ccccc1C#N)C(=O)c1ncccc1[O-] ZINC001085562331 800788302 /nfs/dbraw/zinc/78/83/02/800788302.db2.gz IXYXIVZNIBWQOB-MRXNPFEDSA-N -1 1 336.395 2.005 20 30 EEEDMM CN(C[C@@H]1CCN1Cc1ccc(C#N)cc1)C(=O)c1ncccc1[O-] ZINC001085562850 800789719 /nfs/dbraw/zinc/78/97/19/800789719.db2.gz XONDFXQKXXCBIG-INIZCTEOSA-N -1 1 336.395 2.005 20 30 EEEDMM N#Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C#N)cc3[O-])OC2=O)c1 ZINC001184379494 802001953 /nfs/dbraw/zinc/00/19/53/802001953.db2.gz FRAUYGATUAWMSA-MRXNPFEDSA-N -1 1 348.318 2.099 20 30 EEEDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000790043393 808343035 /nfs/dbraw/zinc/34/30/35/808343035.db2.gz DCSPAUKTIGAPSB-RYUDHWBXSA-N -1 1 332.466 2.212 20 30 EEEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)c2cc3ccccc3s2)o1 ZINC000805032449 811113302 /nfs/dbraw/zinc/11/33/02/811113302.db2.gz LUFLODLJWIFUCO-LBPRGKRZSA-N -1 1 348.405 2.378 20 30 EEEDMM CN(C)[C@@H]1CCOc2c(NC(=O)[C@](C)(C#N)CC(=O)[O-])cccc21 ZINC001593691977 954045726 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EEEDMM C[C@]1(Cc2ccccc2)CCCN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001575801634 1343889720 /nfs/dbraw/zinc/88/97/20/1343889720.db2.gz BWFYIZLJTUDMIQ-GOSISDBHSA-N -1 1 346.398 2.130 20 30 EEEDMM C[C@]1(Cc2ccccc2)CCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001575801634 1343889721 /nfs/dbraw/zinc/88/97/21/1343889721.db2.gz BWFYIZLJTUDMIQ-GOSISDBHSA-N -1 1 346.398 2.130 20 30 EEEDMM C[C@H]1C[C@@H](c2ccccc2)N(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001576078590 1343962473 /nfs/dbraw/zinc/96/24/73/1343962473.db2.gz UTFSETGUAJCKHY-FZMZJTMJSA-N -1 1 332.371 2.116 20 30 EEEDMM C[C@H]1C[C@@H](c2ccccc2)N(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001576078590 1343962476 /nfs/dbraw/zinc/96/24/76/1343962476.db2.gz UTFSETGUAJCKHY-FZMZJTMJSA-N -1 1 332.371 2.116 20 30 EEEDMM CSCCc1ccc(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001580226364 1344494194 /nfs/dbraw/zinc/49/41/94/1344494194.db2.gz VHAWJLOXCSFMAR-UHFFFAOYSA-N -1 1 338.400 2.177 20 30 EEEDMM N#Cc1cccc(CC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001581875028 1344684424 /nfs/dbraw/zinc/68/44/24/1344684424.db2.gz SGWAXNHAVYCBGQ-UHFFFAOYSA-N -1 1 345.775 2.029 20 30 EEEDMM C#Cc1cccc(CNC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)c1 ZINC001588374807 1348897506 /nfs/dbraw/zinc/89/75/06/1348897506.db2.gz OYHWDFSRBPTDIF-UHFFFAOYSA-N -1 1 342.362 2.259 20 30 EEEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001588456630 1348905743 /nfs/dbraw/zinc/90/57/43/1348905743.db2.gz RPXJYLOQNHISQV-AOOOYVTPSA-N -1 1 330.779 2.238 20 30 EEEDMM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001588564187 1348918011 /nfs/dbraw/zinc/91/80/11/1348918011.db2.gz KGECYQHKTCDWHZ-SNVBAGLBSA-N -1 1 331.401 2.068 20 30 EEEDMM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001588564187 1348918016 /nfs/dbraw/zinc/91/80/16/1348918016.db2.gz KGECYQHKTCDWHZ-SNVBAGLBSA-N -1 1 331.401 2.068 20 30 EEEDMM C=CCC[C@H](CO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001588580034 1348919740 /nfs/dbraw/zinc/91/97/40/1348919740.db2.gz XUXZOJKACKAFNA-SECBINFHSA-N -1 1 328.298 2.020 20 30 EEEDMM C=CCC[C@H](CO)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001588580034 1348919741 /nfs/dbraw/zinc/91/97/41/1348919741.db2.gz XUXZOJKACKAFNA-SECBINFHSA-N -1 1 328.298 2.020 20 30 EEEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc3c2OCO3)o1 ZINC001589773671 1349036879 /nfs/dbraw/zinc/03/68/79/1349036879.db2.gz INLCQMWHNNTULS-UHFFFAOYSA-N -1 1 341.331 2.153 20 30 EEEDMM COC(=O)c1cccc(NN=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC001591303156 1349457965 /nfs/dbraw/zinc/45/79/65/1349457965.db2.gz QHGVJJAPZCYUPX-UHFFFAOYSA-N -1 1 328.357 2.161 20 30 EEEDMM Cc1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c2ccccc12 ZINC001592132263 1349595212 /nfs/dbraw/zinc/59/52/12/1349595212.db2.gz DIYZTMONPSEGEW-UHFFFAOYSA-N -1 1 344.338 2.175 20 30 EEEDMM N#Cc1ncc(NCc2ccc3ccccc3c2)nc1-c1nn[n-]n1 ZINC001592708633 1349710482 /nfs/dbraw/zinc/71/04/82/1349710482.db2.gz DZJRJYBSOUHWTD-UHFFFAOYSA-N -1 1 328.339 2.294 20 30 EEEDMM O=C1C(=Cc2nc(-c3nnn[n-]3)cs2)COc2ccc(F)cc21 ZINC001593379785 1349795151 /nfs/dbraw/zinc/79/51/51/1349795151.db2.gz JTAPHOZLKRDAIE-CLTKARDFSA-N -1 1 329.316 2.121 20 30 EEEDMM O=C1C(=Cc2nc(-c3nn[n-]n3)cs2)COc2ccc(F)cc21 ZINC001593379785 1349795154 /nfs/dbraw/zinc/79/51/54/1349795154.db2.gz JTAPHOZLKRDAIE-CLTKARDFSA-N -1 1 329.316 2.121 20 30 EEEDMM Cc1oc(NC(=O)[C@@H](C)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c(C#N)c1C ZINC001600854622 1350152984 /nfs/dbraw/zinc/15/29/84/1350152984.db2.gz GEYYRXIQNOBNQQ-OMPKRAJASA-N -1 1 345.399 2.424 20 30 EEEDMM N#CC(C(=O)Cc1ccc(C(=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC001601047516 1350196851 /nfs/dbraw/zinc/19/68/51/1350196851.db2.gz SBAJFXBPVKWJOY-CQSZACIVSA-N -1 1 338.367 2.122 20 30 EEEDMM N#Cc1nc(C(=O)[O-])ccc1NCCc1nc2ccc(F)cc2[nH]1 ZINC001601133137 1350218314 /nfs/dbraw/zinc/21/83/14/1350218314.db2.gz MODNLCKBKGNZKG-UHFFFAOYSA-N -1 1 325.303 2.321 20 30 EEEDMM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001602763026 1350583294 /nfs/dbraw/zinc/58/32/94/1350583294.db2.gz UMNWXZQXHNRBHP-UHFFFAOYSA-N -1 1 334.383 2.480 20 30 EEEDMM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001602763026 1350583296 /nfs/dbraw/zinc/58/32/96/1350583296.db2.gz UMNWXZQXHNRBHP-UHFFFAOYSA-N -1 1 334.383 2.480 20 30 EEEDMM C=CCC[C@@H]1CCCN1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001602833640 1350593242 /nfs/dbraw/zinc/59/32/42/1350593242.db2.gz SURPVTUUAZELGO-GFCCVEGCSA-N -1 1 343.391 2.233 20 30 EEEDMM C=CCN1CC[C@H](N(C)Cc2ccnc3c(C(=O)[O-])cccc23)C1=O ZINC001602897976 1350601827 /nfs/dbraw/zinc/60/18/27/1350601827.db2.gz JFJONHHAAICKLY-INIZCTEOSA-N -1 1 339.395 2.152 20 30 EEEDMM N#Cc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)c(F)cc1F ZINC001606361437 1351297257 /nfs/dbraw/zinc/29/72/57/1351297257.db2.gz QTMBJQCRVVUWBS-UHFFFAOYSA-N -1 1 332.295 2.330 20 30 EEEDMM N#Cc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)c(F)cc1F ZINC001606361437 1351297260 /nfs/dbraw/zinc/29/72/60/1351297260.db2.gz QTMBJQCRVVUWBS-UHFFFAOYSA-N -1 1 332.295 2.330 20 30 EEEDMM CCn1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000815907700 1368070508 /nfs/dbraw/zinc/07/05/08/1368070508.db2.gz IDDUZVWASHQZLC-SNVBAGLBSA-N -1 1 331.763 2.221 20 30 EEEDMM C[C@H](C#N)OCCOC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC000838084179 1372821473 /nfs/dbraw/zinc/82/14/73/1372821473.db2.gz ANVOXBHRXCWYRX-CYBMUJFWSA-N -1 1 342.351 2.457 20 30 EEEDMM CSCc1cccc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001580225219 1403850328 /nfs/dbraw/zinc/85/03/28/1403850328.db2.gz ATYGYEUSSMUCRI-UHFFFAOYSA-N -1 1 338.400 2.003 20 30 EEEDMM CSCc1cccc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001580225219 1403850334 /nfs/dbraw/zinc/85/03/34/1403850334.db2.gz ATYGYEUSSMUCRI-UHFFFAOYSA-N -1 1 338.400 2.003 20 30 EEEDMM Cc1cc(N2CCc3c(CC#N)cccc3C2)cc(-c2nnn[n-]2)n1 ZINC001592009700 1403982677 /nfs/dbraw/zinc/98/26/77/1403982677.db2.gz OJLPPNQPOMLMFI-UHFFFAOYSA-N -1 1 331.383 2.199 20 30 EEEDMM Cc1cc(N2CCc3c(CC#N)cccc3C2)cc(-c2nn[n-]n2)n1 ZINC001592009700 1403982694 /nfs/dbraw/zinc/98/26/94/1403982694.db2.gz OJLPPNQPOMLMFI-UHFFFAOYSA-N -1 1 331.383 2.199 20 30 EEEDMM N#CCCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001592674612 1404711374 /nfs/dbraw/zinc/71/13/74/1404711374.db2.gz GTZQQUUKPWRVRL-HNNXBMFYSA-N -1 1 347.382 2.427 20 30 EEEDMM N#CCCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001592674612 1404711378 /nfs/dbraw/zinc/71/13/78/1404711378.db2.gz GTZQQUUKPWRVRL-HNNXBMFYSA-N -1 1 347.382 2.427 20 30 EEEDMM Cc1nn(C)c2nc(Cl)c(C=NNc3nc(C)cc(=O)[n-]3)cc12 ZINC000920359747 770682493 /nfs/dbraw/zinc/68/24/93/770682493.db2.gz QWYVYURMPGKZAR-UHFFFAOYSA-N -1 1 331.767 2.180 20 30 EEEDMM N#Cc1ccccc1CN1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001027844316 773434717 /nfs/dbraw/zinc/43/47/17/773434717.db2.gz QCYAVQSECNFPAL-MRXNPFEDSA-N -1 1 336.395 2.053 20 30 EEEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(C)nc2-c2ccccc2)c(=O)o1 ZINC000179711158 774185820 /nfs/dbraw/zinc/18/58/20/774185820.db2.gz OQLNEOWNLQSMMI-IJDCCNJMSA-N -1 1 336.347 2.315 20 30 EEEDMM C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000939481923 776690155 /nfs/dbraw/zinc/69/01/55/776690155.db2.gz IUBQWMHCDLJDOB-SCLBCKFNSA-N -1 1 331.416 2.062 20 30 EEEDMM C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000945438140 784114365 /nfs/dbraw/zinc/11/43/65/784114365.db2.gz LSHUZWHPFGPOBA-KGLIPLIRSA-N -1 1 345.443 2.356 20 30 EEEDMM C=C(C)COc1cccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000908776755 785697594 /nfs/dbraw/zinc/69/75/94/785697594.db2.gz SPWMLSRVKNWUJH-AWEZNQCLSA-N -1 1 332.400 2.377 20 30 EEEDMM C=CCC[C@@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000908820391 785756530 /nfs/dbraw/zinc/75/65/30/785756530.db2.gz MNMQJMXGOLIFJZ-QGZVFWFLSA-N -1 1 345.443 2.153 20 30 EEEDMM C=C[C@](C)(CC)C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001060330236 790134819 /nfs/dbraw/zinc/13/48/19/790134819.db2.gz ALAOSBBECZZYSR-IFXJQAMLSA-N -1 1 345.443 2.358 20 30 EEEDMM Cc1ccc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)cc1C#N ZINC001147000957 791617328 /nfs/dbraw/zinc/61/73/28/791617328.db2.gz RXKCWDMRJNKFHF-UHFFFAOYSA-N -1 1 334.339 2.211 20 30 EEEDMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1ccc(C#N)nc1 ZINC001063737585 791626523 /nfs/dbraw/zinc/62/65/23/791626523.db2.gz TYJCBRZVLHLCKR-DOMZBBRYSA-N -1 1 337.383 2.017 20 30 EEEDMM C=C[C@H](CC)CC(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064107291 792418053 /nfs/dbraw/zinc/41/80/53/792418053.db2.gz INXBMSJEGPSCRU-CYBMUJFWSA-N -1 1 331.416 2.158 20 30 EEEDMM C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2O)cc1F ZINC001148926481 792814647 /nfs/dbraw/zinc/81/46/47/792814647.db2.gz ORCVPEIKPAYZBW-UHFFFAOYSA-N -1 1 335.312 2.012 20 30 EEEDMM C=CCCCC(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001082261122 797379956 /nfs/dbraw/zinc/37/99/56/797379956.db2.gz ALVIOTBUHDRRTF-AWEZNQCLSA-N -1 1 331.416 2.254 20 30 EEEDMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2cccc(F)c2C#N)C1 ZINC001065245520 798804602 /nfs/dbraw/zinc/80/46/02/798804602.db2.gz WBTSCFDAQFDINU-SFHVURJKSA-N -1 1 340.358 2.197 20 30 EEEDMM CC[C@H](CO)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001183164240 801510896 /nfs/dbraw/zinc/51/08/96/801510896.db2.gz UXBMCKJBMAXSMR-SXGUVYOMSA-N -1 1 346.412 2.179 20 30 EEEDMM N=C(c1ccccc1N)N([O-])C(=O)CC1CCC2(CC1)OCCO2 ZINC001183335667 801573718 /nfs/dbraw/zinc/57/37/18/801573718.db2.gz NKQYAYPTBQAVHD-UHFFFAOYSA-N -1 1 333.388 2.135 20 30 EEEDMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](CCC#N)c1ccccc1 ZINC000866997438 803797677 /nfs/dbraw/zinc/79/76/77/803797677.db2.gz PJPFSHHLSKUVMY-AWEZNQCLSA-N -1 1 343.474 2.374 20 30 EEEDMM C=CCCOCC[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867017613 809899914 /nfs/dbraw/zinc/89/99/14/809899914.db2.gz OUKPSLANNUQXHO-UHFFFAOYSA-N -1 1 325.217 2.259 20 30 EEEDMM CC(C)(C)c1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000805012758 811120141 /nfs/dbraw/zinc/12/01/41/811120141.db2.gz MQLKXJNRXZYBRY-OAHLLOKOSA-N -1 1 348.424 2.461 20 30 EEEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2c1COC2=O ZINC000808126842 812447422 /nfs/dbraw/zinc/44/74/22/812447422.db2.gz JGHFTXZAJNUPHV-UHFFFAOYSA-N -1 1 328.349 2.338 20 30 EEEDMM 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341.375 2.091 20 30 EEEDMM CC(C)[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001589476167 1348993021 /nfs/dbraw/zinc/99/30/21/1348993021.db2.gz MUGHQHACPZKRGJ-AWEZNQCLSA-N -1 1 338.350 2.477 20 30 EEEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(O)cc2)o1 ZINC001589664855 1349016647 /nfs/dbraw/zinc/01/66/47/1349016647.db2.gz ZRHXXYVNPCXRMG-UHFFFAOYSA-N -1 1 327.348 2.205 20 30 EEEDMM Cc1cc(C)n(N=Cc2cc3ccccc3o2)c(=O)c1-c1nn[n-]n1 ZINC001591955968 1349567932 /nfs/dbraw/zinc/56/79/32/1349567932.db2.gz QGWJSOFBIOZEES-UHFFFAOYSA-N -1 1 334.339 2.274 20 30 EEEDMM Cc1cc(C)n(N=Cc2ccc(Cl)c(F)c2)c(=O)c1-c1nn[n-]n1 ZINC001591957290 1349568295 /nfs/dbraw/zinc/56/82/95/1349568295.db2.gz SOHRXNCKVOFJLK-UHFFFAOYSA-N -1 1 346.753 2.320 20 30 EEEDMM CCOc1ccc(C#N)cc1[N-]C(=O)c1nc(-c2cnccn2)no1 ZINC001597432983 1349924267 /nfs/dbraw/zinc/92/42/67/1349924267.db2.gz VHDQIJJRWQCSJV-UHFFFAOYSA-N -1 1 336.311 2.049 20 30 EEEDMM N#Cc1cc(Br)ccc1CN[C@]1(CC(=O)[O-])CCOC1 ZINC001601085249 1350205850 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CCC1(CC)CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001577111682 1403624181 /nfs/dbraw/zinc/62/41/81/1403624181.db2.gz WXLVQPRNYIJAAH-UHFFFAOYSA-N -1 1 326.408 2.325 20 30 EEEDMM N#Cc1nc(N2CCC[C@@H]2/C=C\c2ccccc2)cnc1-c1nnn[n-]1 ZINC001592705166 1404718609 /nfs/dbraw/zinc/71/86/09/1404718609.db2.gz XUXAVQBDYVTKLC-QIAWRQBBSA-N -1 1 344.382 2.211 20 30 EEEDMM N#Cc1nc(N2CCC[C@@H]2/C=C\c2ccccc2)cnc1-c1nn[n-]n1 ZINC001592705166 1404718612 /nfs/dbraw/zinc/71/86/12/1404718612.db2.gz XUXAVQBDYVTKLC-QIAWRQBBSA-N -1 1 344.382 2.211 20 30 EEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)cn1 ZINC000820799352 786478204 /nfs/dbraw/zinc/47/82/04/786478204.db2.gz LTECUXGWDIJXAX-UHFFFAOYSA-N -1 1 329.168 2.456 20 30 EEEDMM C#Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCC=C)c2)c1 ZINC000055580023 789198988 /nfs/dbraw/zinc/19/89/88/789198988.db2.gz OERVKNQRKGLNTI-UHFFFAOYSA-N -1 1 340.404 2.385 20 30 EEEDMM N#Cc1ccc(N[C@@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)cn1 ZINC001061075438 797932546 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CC(C)(C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001573826885 949912097 /nfs/dbraw/zinc/91/20/97/949912097.db2.gz JBWWZJCYVLDLEQ-NSHDSACASA-N -1 1 326.408 2.181 20 30 EEEDMM CC1(C)C[C@H](c2ccccc2)CN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001575639402 950868223 /nfs/dbraw/zinc/86/82/23/950868223.db2.gz AXJSWIPSNQTLQB-ZDUSSCGKSA-N -1 1 346.398 2.301 20 30 EEEDMM CC1(C)C[C@H](c2ccccc2)CN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001575639402 950868241 /nfs/dbraw/zinc/86/82/41/950868241.db2.gz AXJSWIPSNQTLQB-ZDUSSCGKSA-N -1 1 346.398 2.301 20 30 EEEDMM C[C@@H](CNc1cnc(C#N)c(-c2nn[n-]n2)n1)Sc1ccccc1 ZINC001575155879 952245673 /nfs/dbraw/zinc/24/56/73/952245673.db2.gz PNWKMDLXZFPNKE-JTQLQIEISA-N -1 1 338.400 2.121 20 30 EEEDMM C=CCCn1cc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)nn1 ZINC000848710572 979476398 /nfs/dbraw/zinc/47/63/98/979476398.db2.gz COOSCIHZDWVSHK-SFHVURJKSA-N -1 1 326.400 2.083 20 30 EEEDMM C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588562730 983643762 /nfs/dbraw/zinc/64/37/62/983643762.db2.gz GJDIEPXILSNQHV-FZMZJTMJSA-N -1 1 336.354 2.139 20 30 EEEDMM CC(N=Nc1ccccc1OC(F)(F)F)c1cn(CC(=O)[O-])nn1 ZINC001589017328 985002836 /nfs/dbraw/zinc/00/28/36/985002836.db2.gz JCQTUUOJNMFROE-UHFFFAOYSA-N -1 1 343.265 2.097 20 30 EEEDMM CSc1nc(CNC(=O)c2ccccc2SCC#N)cc(=O)[n-]1 ZINC001452468031 1105500680 /nfs/dbraw/zinc/50/06/80/1105500680.db2.gz BYCMBUXBEZXEHN-UHFFFAOYSA-N -1 1 346.437 2.450 20 30 EEEDMM N#CC(=C([O-])c1cc2n(n1)CCCO2)c1nccn1Cc1ccccc1 ZINC001515837762 1118987414 /nfs/dbraw/zinc/98/74/14/1118987414.db2.gz RHVUXXRAGRUXJV-HNNXBMFYSA-N -1 1 347.378 2.400 20 30 EEEDMM COc1ccc(OC)c(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738047686 577997438 /nfs/dbraw/zinc/99/74/38/577997438.db2.gz IWKSSHWRBVWAFX-QGZVFWFLSA-N -1 1 326.352 2.491 20 30 EEEDMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000115313071 152019109 /nfs/dbraw/zinc/01/91/09/152019109.db2.gz GHGFHKWRPXHAQD-NRFANRHFSA-N -1 1 334.422 2.238 20 30 EEEDMM N#Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)s1 ZINC000230323790 160217731 /nfs/dbraw/zinc/21/77/31/160217731.db2.gz LVOQSKKERPUGGT-UHFFFAOYSA-N -1 1 326.330 2.258 20 30 EEEDMM N#Cc1cccnc1OC1CCC(NC(=O)c2cncc([O-])c2)CC1 ZINC000355017783 163052659 /nfs/dbraw/zinc/05/26/59/163052659.db2.gz WTJZMIFMNMRENB-UHFFFAOYSA-N -1 1 338.367 2.174 20 30 EEEDMM CCO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000442651844 267144375 /nfs/dbraw/zinc/14/43/75/267144375.db2.gz RVXKMOVNGQEPDR-JTQLQIEISA-N -1 1 330.344 2.017 20 30 EEEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)cc1[O-] ZINC000333417467 268044138 /nfs/dbraw/zinc/04/41/38/268044138.db2.gz FKDUDKBGUPUHDG-MRXNPFEDSA-N -1 1 341.411 2.317 20 30 EEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3F)C2)o1 ZINC000287788248 268204853 /nfs/dbraw/zinc/20/48/53/268204853.db2.gz KWWWONCRIMFZHF-GFCCVEGCSA-N -1 1 349.387 2.238 20 30 EEEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1Cl ZINC000580640314 324102874 /nfs/dbraw/zinc/10/28/74/324102874.db2.gz 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/nfs/dbraw/zinc/57/62/96/1350576296.db2.gz VXPXLQDFDSOEKL-INIZCTEOSA-N -1 1 345.443 2.093 20 30 EEEDMM C#CCN1CCC(C(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)CC1 ZINC001602721137 1350577561 /nfs/dbraw/zinc/57/75/61/1350577561.db2.gz XEFLXRJAECVJKN-UHFFFAOYSA-N -1 1 340.423 2.318 20 30 EEEDMM C=CCOc1ccc(CNc2n[nH]c(C)c2-c2nnn[n-]2)cc1OC ZINC001602871788 1350599133 /nfs/dbraw/zinc/59/91/33/1350599133.db2.gz XOCVJBWWBUNFFO-UHFFFAOYSA-N -1 1 341.375 2.084 20 30 EEEDMM C=CCOc1ccc(CNc2n[nH]c(C)c2-c2nn[n-]n2)cc1OC ZINC001602871788 1350599137 /nfs/dbraw/zinc/59/91/37/1350599137.db2.gz XOCVJBWWBUNFFO-UHFFFAOYSA-N -1 1 341.375 2.084 20 30 EEEDMM C[C@@H]1[C@@H](C(=O)[O-])CCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC001604636580 1350974591 /nfs/dbraw/zinc/97/45/91/1350974591.db2.gz NYVAZHVPFKXCTA-DOMZBBRYSA-N -1 1 349.818 2.382 20 30 EEEDMM Cc1cccnc1[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)C(C)(C)C ZINC001605947283 1351257641 /nfs/dbraw/zinc/25/76/41/1351257641.db2.gz DSTSGKPEFCHXIY-OAHLLOKOSA-N -1 1 349.402 2.431 20 30 EEEDMM Cc1oc(C(=O)[O-])cc1C(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1 ZINC001608036582 1351611172 /nfs/dbraw/zinc/61/11/72/1351611172.db2.gz VAEIPYPMYDRQMN-UHFFFAOYSA-N -1 1 337.295 2.195 20 30 EEEDMM N#Cc1ccc([C@@H](NC[C@@H](n2cccn2)C(F)(F)F)C(=O)[O-])cc1 ZINC001608202612 1351646180 /nfs/dbraw/zinc/64/61/80/1351646180.db2.gz UPFVBNTYEMOHHF-CHWSQXEVSA-N -1 1 338.289 2.274 20 30 EEEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 ZINC001355997496 1373185657 /nfs/dbraw/zinc/18/56/57/1373185657.db2.gz OFTXOUHHJQVIBP-STQMWFEESA-N -1 1 346.435 2.201 20 30 EEEDMM N#CCCC[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001592674748 1404712474 /nfs/dbraw/zinc/71/24/74/1404712474.db2.gz JZLBBPSTFGKHKJ-HNNXBMFYSA-N -1 1 347.382 2.427 20 30 EEEDMM N#CCCC[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001592674748 1404712479 /nfs/dbraw/zinc/71/24/79/1404712479.db2.gz JZLBBPSTFGKHKJ-HNNXBMFYSA-N -1 1 347.382 2.427 20 30 EEEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1ccc(C2CCCC2)cc1 ZINC001606355788 1404801675 /nfs/dbraw/zinc/80/16/75/1404801675.db2.gz OTCRHFVELXWVOZ-UHFFFAOYSA-N -1 1 334.387 2.223 20 30 EEEDMM C=CCC1(C(=O)NCCC2(CNCc3n[nH]c(=O)[n-]3)CC2)CCCC1 ZINC001168590138 790686430 /nfs/dbraw/zinc/68/64/30/790686430.db2.gz MCVKDZLANXUHEZ-UHFFFAOYSA-N -1 1 347.463 2.023 20 30 EEEDMM C=CCC[C@H](NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000908912540 785854149 /nfs/dbraw/zinc/85/41/49/785854149.db2.gz MUUARADQQBMHQJ-PBHICJAKSA-N -1 1 345.443 2.152 20 30 EEEDMM C=CCC[C@H](NC(=O)NC[C@@H](C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908912540 785854158 /nfs/dbraw/zinc/85/41/58/785854158.db2.gz MUUARADQQBMHQJ-PBHICJAKSA-N -1 1 345.443 2.152 20 30 EEEDMM Cc1cc(C)n(N=Cc2ccc(F)cc2Cl)c(=O)c1-c1nn[n-]n1 ZINC000822198945 787071527 /nfs/dbraw/zinc/07/15/27/787071527.db2.gz PIQVXYWJKBHDGF-UHFFFAOYSA-N -1 1 346.753 2.320 20 30 EEEDMM C=C(C)CO[N-]C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000846534477 790234340 /nfs/dbraw/zinc/23/43/40/790234340.db2.gz QUVVGLYBUDGTDH-LBPRGKRZSA-N -1 1 333.775 2.188 20 30 EEEDMM N#Cc1c(F)cccc1NC[C@@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001109821506 806043789 /nfs/dbraw/zinc/04/37/89/806043789.db2.gz IKOGWZTVPQSINU-OAHLLOKOSA-N -1 1 340.358 2.418 20 30 EEEDMM CC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)NO ZINC001148805517 792717592 /nfs/dbraw/zinc/71/75/92/792717592.db2.gz AOXNHDCXJWLUPI-JTQLQIEISA-N -1 1 334.294 2.061 20 30 EEEDMM C=CCC1(C(=O)NCC[C@H](C)NC(=O)c2ncccc2[O-])CCC1 ZINC001078225923 796130868 /nfs/dbraw/zinc/13/08/68/796130868.db2.gz DVECRHUJMQSQIT-ZDUSSCGKSA-N -1 1 331.416 2.158 20 30 EEEDMM CC1(C)C(N=Nc2nc3[nH][n-]cc-3c(=O)n2)C[C@@H]1Oc1ccccc1 ZINC000789018461 807812640 /nfs/dbraw/zinc/81/26/40/807812640.db2.gz VHPMERDENXPVKF-ZDUSSCGKSA-N -1 1 338.371 2.077 20 30 EEEDMM CCCC[C@@H](CNc1ccc(C#N)nc1)NC(=O)c1ncccc1[O-] ZINC001114240961 810663678 /nfs/dbraw/zinc/66/36/78/810663678.db2.gz JAMSUKCTMGKTKQ-HNNXBMFYSA-N -1 1 339.399 2.455 20 30 EEEDMM CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000804933261 811094001 /nfs/dbraw/zinc/09/40/01/811094001.db2.gz TWOAISPMQMRYNJ-OAHLLOKOSA-N -1 1 345.399 2.393 20 30 EEEDMM C[C@@H](c1ccccc1)[C@H]1CCCN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001575515307 949184006 /nfs/dbraw/zinc/18/40/06/949184006.db2.gz HOUPHZPTUNKKMO-SWLSCSKDSA-N -1 1 346.398 2.301 20 30 EEEDMM C#C[C@H](NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)C1CCOCC1 ZINC001573318488 958464300 /nfs/dbraw/zinc/46/43/00/958464300.db2.gz OYGAGMGTQAVBMX-KRWDZBQOSA-N -1 1 346.427 2.099 20 30 EEEDMM CC[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1CC(F)F ZINC001595484303 981218364 /nfs/dbraw/zinc/21/83/64/981218364.db2.gz PJIFJXGHYQQHNZ-GDBMZVCRSA-N -1 1 337.370 2.345 20 30 EEEDMM C=CC[C@H](N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC001588745813 984055105 /nfs/dbraw/zinc/05/51/05/984055105.db2.gz NIHSRCCFENQSTO-KCXAZCMYSA-N -1 1 334.391 2.497 20 30 EEEDMM C=CCOC[C@H](NCc1cc(F)ccc1Br)C(=O)[O-] ZINC001588865675 984419045 /nfs/dbraw/zinc/41/90/45/984419045.db2.gz AFIDDOVBCSOKLN-LBPRGKRZSA-N -1 1 332.169 2.334 20 30 EEEDMM CCc1oc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C(=O)[O-] ZINC001597797083 989358328 /nfs/dbraw/zinc/35/83/28/989358328.db2.gz VBDNPZHTMBBVJX-CYBMUJFWSA-N -1 1 341.367 2.460 20 30 EEEDMM C#C[C@H](C)N(C)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1CC(C)C ZINC001517079454 1119022865 /nfs/dbraw/zinc/02/28/65/1119022865.db2.gz RCUYEZXQZRNNNW-LBPRGKRZSA-N -1 1 340.431 2.432 20 30 EEEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CC[C@H](CC(C)(C)C)C1 ZINC001524008638 1119955711 /nfs/dbraw/zinc/95/57/11/1119955711.db2.gz IKFGFCBDGVVHFF-CYBMUJFWSA-N -1 1 344.467 2.221 20 30 EEEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CC[C@H](CC(C)(C)C)C1 ZINC001524008638 1119955715 /nfs/dbraw/zinc/95/57/15/1119955715.db2.gz IKFGFCBDGVVHFF-CYBMUJFWSA-N -1 1 344.467 2.221 20 30 EEEDMM N#Cc1cccc(C2(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)CC2)c1 ZINC000425325273 241124644 /nfs/dbraw/zinc/12/46/44/241124644.db2.gz RVHOFIXGDZJSNK-UHFFFAOYSA-N -1 1 338.367 2.085 20 30 EEEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@]2(C#N)CCOC2)c([O-])c1 ZINC000495472111 247167730 /nfs/dbraw/zinc/16/77/30/247167730.db2.gz FTNKVGAKGSBCTO-KRWDZBQOSA-N -1 1 347.371 2.152 20 30 EEEDMM CCc1cnc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)o1 ZINC000234242827 160218331 /nfs/dbraw/zinc/21/83/31/160218331.db2.gz OASXNJSEGBPVRO-UHFFFAOYSA-N -1 1 325.777 2.241 20 30 EEEDMM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)COCc1ccccc1 ZINC000344305919 161215629 /nfs/dbraw/zinc/21/56/29/161215629.db2.gz PRLPSELDOBMFBN-CYBMUJFWSA-N -1 1 334.397 2.282 20 30 EEEDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cncc(C#N)c2)on1 ZINC000289473968 266005219 /nfs/dbraw/zinc/00/52/19/266005219.db2.gz NHBSKPOOAFXGPB-UHFFFAOYSA-N -1 1 334.401 2.323 20 30 EEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)nc2)cc1 ZINC000074394860 462594344 /nfs/dbraw/zinc/59/43/44/462594344.db2.gz RRNHTVXFJVDJMA-UHFFFAOYSA-N -1 1 328.397 2.354 20 30 EEEDMM C=CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1 ZINC000055724998 463345208 /nfs/dbraw/zinc/34/52/08/463345208.db2.gz FNTWBGUEFPPQIK-UHFFFAOYSA-N -1 1 336.369 2.005 20 30 EEEDMM Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(C#N)o3)C2)cc1 ZINC000288131668 464033600 /nfs/dbraw/zinc/03/36/00/464033600.db2.gz MSLDAWVRKGQLJJ-AWEZNQCLSA-N -1 1 345.424 2.407 20 30 EEEDMM N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CCN(C2CC2)CC1 ZINC000269674329 464053318 /nfs/dbraw/zinc/05/33/18/464053318.db2.gz PUWHQRRZAHDPKL-UHFFFAOYSA-N -1 1 339.848 2.117 20 30 EEEDMM CCc1cc(=O)[n-]c(SCC(=O)N(C)C2(C#N)CCCCC2)n1 ZINC000188109882 464202152 /nfs/dbraw/zinc/20/21/52/464202152.db2.gz LOSGGLLCCSALRK-UHFFFAOYSA-N -1 1 334.445 2.109 20 30 EEEDMM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188372279 464266784 /nfs/dbraw/zinc/26/67/84/464266784.db2.gz OXHKRMHZJXPJIT-MRXNPFEDSA-N -1 1 336.347 2.004 20 30 EEEDMM CSc1nc(C)c(CCC(=O)N(CCC#N)CC2CC2)c(=O)[n-]1 ZINC000264075399 464280143 /nfs/dbraw/zinc/28/01/43/464280143.db2.gz OYNXVLSAJRHRLP-UHFFFAOYSA-N -1 1 334.445 2.297 20 30 EEEDMM CN1CCN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H](Cc2ccccc2)C1 ZINC000593850314 468407306 /nfs/dbraw/zinc/40/73/06/468407306.db2.gz TYGZEEJWNLFZKT-SFHVURJKSA-N -1 1 335.407 2.263 20 30 EEEDMM Cc1nc(S(=O)(=O)[N-]CC(=O)NC2CCCCC2)sc1C ZINC000329922505 465475718 /nfs/dbraw/zinc/47/57/18/465475718.db2.gz TZYPNWPQYIUTRN-UHFFFAOYSA-N -1 1 331.463 2.327 20 30 EEEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)C)c1 ZINC000353976313 466296028 /nfs/dbraw/zinc/29/60/28/466296028.db2.gz QCYJYHPBQJAVIB-UHFFFAOYSA-N -1 1 343.408 2.369 20 30 EEEDMM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)ccc1C#N ZINC000324425134 466646820 /nfs/dbraw/zinc/64/68/20/466646820.db2.gz UDGCVSCWXRVMSX-UHFFFAOYSA-N -1 1 332.337 2.071 20 30 EEEDMM C[C@@H](C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1cccc(C#N)c1 ZINC000425303758 467092093 /nfs/dbraw/zinc/09/20/93/467092093.db2.gz OYKVOBFUJGYZNC-RISCZKNCSA-N -1 1 326.356 2.157 20 30 EEEDMM O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](CCOCC(F)(F)C(F)F)C1 ZINC000577185153 468180533 /nfs/dbraw/zinc/18/05/33/468180533.db2.gz AVGDXSLUBOLNLM-SECBINFHSA-N -1 1 341.223 2.242 20 30 EEEDMM O=C([O-])[C@@]1(C(F)(F)F)CCN(CCOCC(F)(F)C(F)F)C1 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2.208 20 30 EEEDMM C#C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001588330103 1348889814 /nfs/dbraw/zinc/88/98/14/1348889814.db2.gz VAOOKBLNCVVXEJ-CYBMUJFWSA-N -1 1 338.396 2.102 20 30 EEEDMM C#CCN(Cc1nc(-c2nnn[n-]2)cs1)[C@H]1CCc2ccccc21 ZINC001588352293 1348894744 /nfs/dbraw/zinc/89/47/44/1348894744.db2.gz XTEIRAQUAWMCRU-HNNXBMFYSA-N -1 1 336.424 2.446 20 30 EEEDMM C#CCN(Cc1nc(-c2nn[n-]n2)cs1)[C@H]1CCc2ccccc21 ZINC001588352293 1348894748 /nfs/dbraw/zinc/89/47/48/1348894748.db2.gz XTEIRAQUAWMCRU-HNNXBMFYSA-N -1 1 336.424 2.446 20 30 EEEDMM C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1 ZINC001588456269 1348905923 /nfs/dbraw/zinc/90/59/23/1348905923.db2.gz KHKUODJYQAJYQX-XHSDSOJGSA-N -1 1 339.399 2.264 20 30 EEEDMM CC(=Cc1ccc(F)c(C#N)c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001588770482 1348933452 /nfs/dbraw/zinc/93/34/52/1348933452.db2.gz NETXANDABSFWJS-VMPITWQZSA-N -1 1 337.318 2.242 20 30 EEEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1c(F)cccc1Cl ZINC001589986942 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CSc1nc(Cl)c(/C=N/[O-])c(NC[C@H](O)c2ccncc2)n1 ZINC001162544748 1320893693 /nfs/dbraw/zinc/89/36/93/1320893693.db2.gz NCTOFUYCTJVMMD-MJRCGYGRSA-N -1 1 339.808 2.201 20 30 EEEDMM C=CC[C@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCCCC1)C(=O)OCC ZINC001261580787 1322135098 /nfs/dbraw/zinc/13/50/98/1322135098.db2.gz ZKCSOMDZASKNIY-LSDHHAIUSA-N -1 1 347.477 2.009 20 30 EEEDMM CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1O ZINC001276492810 1323596065 /nfs/dbraw/zinc/59/60/65/1323596065.db2.gz ANGHZDYMQIEJQZ-IYBDPMFKSA-N -1 1 328.416 2.030 20 30 EEEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCCCC#N ZINC001321553414 1333123794 /nfs/dbraw/zinc/12/37/94/1333123794.db2.gz ISWIVIKDPYPGCL-UHFFFAOYSA-N -1 1 339.399 2.295 20 30 EEEDMM CC(C)c1nc(-c2nn[nH]n2)c(N=NC(C)CC2(C(=O)[O-])CCC2)o1 ZINC001609109702 1351847564 /nfs/dbraw/zinc/84/75/64/1351847564.db2.gz DBTLHIJHAMMEMX-UHFFFAOYSA-N -1 1 347.379 2.411 20 30 EEEDMM C=CCN(CC=C)C(=O)[C@@H](C)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001609356977 1351945211 /nfs/dbraw/zinc/94/52/11/1351945211.db2.gz ZGGMYSLRRHZZPE-CQSZACIVSA-N -1 1 328.412 2.332 20 30 EEEDMM C[C@H]1C[C@H](C(C)(C)C)CCN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001575969752 1343930800 /nfs/dbraw/zinc/93/08/00/1343930800.db2.gz WDJQXJIZVKQBBK-WDEREUQCSA-N -1 1 326.408 2.179 20 30 EEEDMM C[C@H]1C[C@H](C(C)(C)C)CCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001575969752 1343930803 /nfs/dbraw/zinc/93/08/03/1343930803.db2.gz WDJQXJIZVKQBBK-WDEREUQCSA-N -1 1 326.408 2.179 20 30 EEEDMM CN(CCc1cccc(C#N)c1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001579231771 1344355624 /nfs/dbraw/zinc/35/56/24/1344355624.db2.gz LWANWPGNMDZCHP-UHFFFAOYSA-N -1 1 338.396 2.115 20 30 EEEDMM CN(CCc1cccc(C#N)c1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001579231771 1344355628 /nfs/dbraw/zinc/35/56/28/1344355628.db2.gz LWANWPGNMDZCHP-UHFFFAOYSA-N -1 1 338.396 2.115 20 30 EEEDMM COc1ccc([C@H](C)Sc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001579991617 1344445284 /nfs/dbraw/zinc/44/52/84/1344445284.db2.gz GMAZBXCGZSGTBS-VIFPVBQESA-N -1 1 339.384 2.390 20 30 EEEDMM Cc1cccc([C@@H]2CCCN2c2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001581236976 1344603689 /nfs/dbraw/zinc/60/36/89/1344603689.db2.gz MEQUIURGDUXGLA-AWEZNQCLSA-N -1 1 332.371 2.178 20 30 EEEDMM N#C[C@@]1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC12CCCC2 ZINC001581857158 1344678381 /nfs/dbraw/zinc/67/83/81/1344678381.db2.gz QZUAYSSFBFAKGR-OAHLLOKOSA-N -1 1 328.401 2.018 20 30 EEEDMM C=C[C@@H](CC)CC(=O)N[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001588524091 1348912597 /nfs/dbraw/zinc/91/25/97/1348912597.db2.gz OPYOAOOXAGUIAV-KOLCDFICSA-N -1 1 349.464 2.151 20 30 EEEDMM CC(C)Cc1ccc(C(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)cc1 ZINC001589661237 1349016817 /nfs/dbraw/zinc/01/68/17/1349016817.db2.gz NBSDMNAJVPPCAM-UHFFFAOYSA-N -1 1 335.371 2.016 20 30 EEEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(C#N)cc2)o1 ZINC001589664446 1349017216 /nfs/dbraw/zinc/01/72/16/1349017216.db2.gz CSFUVEDBXKPESW-UHFFFAOYSA-N -1 1 336.359 2.371 20 30 EEEDMM CC(C)OCc1ccc(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001589750011 1349028852 /nfs/dbraw/zinc/02/88/52/1349028852.db2.gz PQTNJUUGTYOQDO-UHFFFAOYSA-N -1 1 336.359 2.197 20 30 EEEDMM N#Cc1ncn(Cc2csc(C3CCCC3)n2)c1-c1nn[n-]n1 ZINC001592709473 1349709836 /nfs/dbraw/zinc/70/98/36/1349709836.db2.gz GZVLKEBMWLXPDY-UHFFFAOYSA-N -1 1 326.389 2.097 20 30 EEEDMM N#Cc1cccc(N2CCN(CCc3ccccc3C(=O)[O-])CC2)n1 ZINC001601122035 1350215194 /nfs/dbraw/zinc/21/51/94/1350215194.db2.gz CTVPOZNFSKOIPG-UHFFFAOYSA-N -1 1 336.395 2.016 20 30 EEEDMM C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001602697670 1350574988 /nfs/dbraw/zinc/57/49/88/1350574988.db2.gz PTMKWVAGGYVAEM-AWEZNQCLSA-N -1 1 335.367 2.133 20 30 EEEDMM C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001602697670 1350574991 /nfs/dbraw/zinc/57/49/91/1350574991.db2.gz PTMKWVAGGYVAEM-AWEZNQCLSA-N -1 1 335.367 2.133 20 30 EEEDMM C#CC[C@@H](Cc1ccccc1)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602697799 1350574998 /nfs/dbraw/zinc/57/49/98/1350574998.db2.gz SKOXKGKTYRVQED-AWEZNQCLSA-N -1 1 333.399 2.266 20 30 EEEDMM C#CC[C@@H](Cc1ccccc1)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602697799 1350575002 /nfs/dbraw/zinc/57/50/02/1350575002.db2.gz SKOXKGKTYRVQED-AWEZNQCLSA-N -1 1 333.399 2.266 20 30 EEEDMM C#CCOc1ccc(COC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC001602732164 1350578575 /nfs/dbraw/zinc/57/85/75/1350578575.db2.gz PMQQLIRQKBQPJB-UHFFFAOYSA-N -1 1 340.364 2.297 20 30 EEEDMM C=C(C)CCC(=O)N(C)[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001602756702 1350582977 /nfs/dbraw/zinc/58/29/77/1350582977.db2.gz VWGNJOLFKOWLGI-SNVBAGLBSA-N -1 1 349.464 2.247 20 30 EEEDMM CC(C)Oc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1C#N ZINC001603369691 1350696779 /nfs/dbraw/zinc/69/67/79/1350696779.db2.gz CBGLDJJDGGNMAD-UHFFFAOYSA-N -1 1 349.354 2.173 20 30 EEEDMM CC(C)Oc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1C#N ZINC001603369691 1350696784 /nfs/dbraw/zinc/69/67/84/1350696784.db2.gz CBGLDJJDGGNMAD-UHFFFAOYSA-N -1 1 349.354 2.173 20 30 EEEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC001607628054 1351528887 /nfs/dbraw/zinc/52/88/87/1351528887.db2.gz SVNIBHMCBALCII-IYBDPMFKSA-N -1 1 343.427 2.345 20 30 EEEDMM Cc1coc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001195766619 1368571717 /nfs/dbraw/zinc/57/17/17/1368571717.db2.gz ZVUWTZPTNPIUEV-UHFFFAOYSA-N -1 1 329.234 2.447 20 30 EEEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnn2c1OCCC2 ZINC000796749275 1371463626 /nfs/dbraw/zinc/46/36/26/1371463626.db2.gz YOHROFJAEIYJIG-SNVBAGLBSA-N -1 1 344.758 2.280 20 30 EEEDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H](O)c1ccccc1F ZINC001363974649 1373565153 /nfs/dbraw/zinc/56/51/53/1373565153.db2.gz ZGYIYPXMNUPIAV-UKRRQHHQSA-N -1 1 338.360 2.081 20 30 EEEDMM CSc1ccc(F)cc1CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001580235681 1403850967 /nfs/dbraw/zinc/85/09/67/1403850967.db2.gz WWIWDLKMYHNYTG-UHFFFAOYSA-N -1 1 342.363 2.001 20 30 EEEDMM Cc1cccc2c1CCC[C@H]2Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001592244042 1404014745 /nfs/dbraw/zinc/01/47/45/1404014745.db2.gz MURLTJJDTZUPTC-CYBMUJFWSA-N -1 1 332.371 2.326 20 30 EEEDMM CC#CCCCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1CC ZINC001757439802 1409718954 /nfs/dbraw/zinc/71/89/54/1409718954.db2.gz NTPBOZGGTQPQOM-LSDHHAIUSA-N -1 1 343.427 2.090 20 30 EEEDMM CC(C)N(CCN(C)c1ccc(C#N)nc1)C(=O)c1ncccc1[O-] ZINC001125477767 759398288 /nfs/dbraw/zinc/39/82/88/759398288.db2.gz PJDRPIWSNWEPRL-UHFFFAOYSA-N -1 1 339.399 2.041 20 30 EEEDMM N#Cc1ccc(N2CCN(C(=O)c3c([O-])cccc3Cl)CC2)nc1 ZINC000920459562 770713483 /nfs/dbraw/zinc/71/34/83/770713483.db2.gz DMGVZZACJBTXFB-UHFFFAOYSA-N -1 1 342.786 2.275 20 30 EEEDMM C#CC[C@]1(C(=O)Nc2c(C)[n-][nH]c2=O)CCCN1C(=O)OC(C)(C)C ZINC000816740587 784229676 /nfs/dbraw/zinc/22/96/76/784229676.db2.gz IJDTYQJGOYMBBI-QGZVFWFLSA-N -1 1 348.403 2.155 20 30 EEEDMM C=CCC[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)C(=O)[O-] ZINC000908815856 785750391 /nfs/dbraw/zinc/75/03/91/785750391.db2.gz ZHMIYRSCJGWKEV-STQMWFEESA-N -1 1 325.434 2.069 20 30 EEEDMM N#Cc1ccc(C(=O)N2CC3(CCN3Cc3ccccc3)C2)cc1[O-] ZINC000910781252 787042991 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C=CCC1(CNC(=O)c2coc(S(=O)(=O)[N-]C)c2)CCCC1 ZINC000456491067 244274145 /nfs/dbraw/zinc/27/41/45/244274145.db2.gz ZCBNPUWPKUTBRO-UHFFFAOYSA-N -1 1 326.418 2.054 20 30 EEEDMM CC(C)OCc1nc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)no1 ZINC000359624523 164139506 /nfs/dbraw/zinc/13/95/06/164139506.db2.gz MWCDCSYQBODSMG-JTQLQIEISA-N -1 1 330.344 2.063 20 30 EEEDMM COc1ccc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)c([O-])c1 ZINC000590544856 468270152 /nfs/dbraw/zinc/27/01/52/468270152.db2.gz VQBWOVWYZYTQDM-UHFFFAOYSA-N -1 1 349.350 2.293 20 30 EEEDMM CN(CC(=O)Nc1n[n-]c(C(F)(F)F)n1)C(=O)c1cccs1 ZINC000047436861 462784350 /nfs/dbraw/zinc/78/43/50/462784350.db2.gz HRJVRLDJRKGBPI-UHFFFAOYSA-N -1 1 333.295 2.245 20 30 EEEDMM CCN(CC#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000068231628 463108812 /nfs/dbraw/zinc/10/88/12/463108812.db2.gz HDWFAHJXSIXCKY-UHFFFAOYSA-N -1 1 343.408 2.473 20 30 EEEDMM N#Cc1ccnc(N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)c1 ZINC000078768933 463147890 /nfs/dbraw/zinc/14/78/90/463147890.db2.gz 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CCc1nnc(NCc2cc(=O)[n-]c(SC)n2)c(C#N)c1CC ZINC001364561236 1373605196 /nfs/dbraw/zinc/60/51/96/1373605196.db2.gz SRRXAWACIZOXDF-UHFFFAOYSA-N -1 1 330.417 2.303 20 30 EEEDMM C=CC(C)(C)C(=O)NCc1ccc([C@H](C)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001754949123 1407011660 /nfs/dbraw/zinc/01/16/60/1407011660.db2.gz WIVCODWYSIYTSX-LBPRGKRZSA-N -1 1 343.431 2.190 20 30 EEEDMM N#Cc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)s1 ZINC001592693695 1404715361 /nfs/dbraw/zinc/71/53/61/1404715361.db2.gz WTPSIBNGKGLIPS-UHFFFAOYSA-N -1 1 334.364 2.163 20 30 EEEDMM N#Cc1nc(NCc2cc(F)c(Cl)cc2F)cnc1-c1nnn[n-]1 ZINC001592707549 1404719408 /nfs/dbraw/zinc/71/94/08/1404719408.db2.gz LKZOIHUIZCCTEF-UHFFFAOYSA-N -1 1 348.704 2.072 20 30 EEEDMM N#Cc1nc(NCc2cc(F)c(Cl)cc2F)cnc1-c1nn[n-]n1 ZINC001592707549 1404719412 /nfs/dbraw/zinc/71/94/12/1404719412.db2.gz LKZOIHUIZCCTEF-UHFFFAOYSA-N -1 1 348.704 2.072 20 30 EEEDMM C=CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001757261831 1409602615 /nfs/dbraw/zinc/60/26/15/1409602615.db2.gz 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CC(C)CC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001574184437 950779027 /nfs/dbraw/zinc/77/90/27/950779027.db2.gz JXOYDMCSBVEJTF-LBPRGKRZSA-N -1 1 326.408 2.323 20 30 EEEDMM C=CCOc1ccccc1CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901524732 980348357 /nfs/dbraw/zinc/34/83/57/980348357.db2.gz MXWPXSLRCOKPGN-HNNXBMFYSA-N -1 1 342.399 2.378 20 30 EEEDMM