smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2ccsc2C(=O)[N-]NC(=O)NC2CC2)cc1 ZINC000053919634 398884364 /nfs/dbraw/zinc/88/43/64/398884364.db2.gz HKBRBCMPSJRGSP-UHFFFAOYSA-N -1 3 315.398 2.830 20 50 DFGDHM CN(CCc1ccccc1O)C(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000491047205 269689594 /nfs/dbraw/zinc/68/95/94/269689594.db2.gz IITADZDWGZWVHB-FOWTUZBSSA-N -1 3 322.364 2.706 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000490975515 269941289 /nfs/dbraw/zinc/94/12/89/269941289.db2.gz PIZBBZWPHABBQL-FJJYYWMZSA-N -1 3 319.364 2.962 20 50 DFGDHM C[C@@H]1SCCN(C(=O)/C(C#N)=C\c2ccc([O-])cc2)[C@H]1C ZINC000185688621 267102293 /nfs/dbraw/zinc/10/22/93/267102293.db2.gz BUPINWZJEBYRPA-MFRBPKMGSA-N -1 3 302.399 2.652 20 50 DFGDHM CCSCC[C@H](C)NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000490913729 267179592 /nfs/dbraw/zinc/17/95/92/267179592.db2.gz ZXQYDUGGNGOAQF-LQELWAHVSA-N -1 3 304.415 2.947 20 50 DFGDHM CC[C@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)C1CCOCC1 ZINC000491132102 267216319 /nfs/dbraw/zinc/21/63/19/267216319.db2.gz MOCFVPJRUABMBC-HKBKRHGFSA-N -1 3 314.385 2.621 20 50 DFGDHM CC[C@H]1CN(C(=O)/C(C#N)=C/c2ccc([O-])cc2)CCS1 ZINC000491083558 267229562 /nfs/dbraw/zinc/22/95/62/267229562.db2.gz LTHOTXQNADVVNU-GLNPCMGASA-N -1 3 302.399 2.653 20 50 DFGDHM C[C@]1(CNC(=O)/C(C#N)=C\c2ccc([O-])cc2)CCCS1 ZINC000194744702 267260087 /nfs/dbraw/zinc/26/00/87/267260087.db2.gz GODYGNOWXUZJOA-RCBBPTIPSA-N -1 3 302.399 2.701 20 50 DFGDHM CN(Cc1cccc(C#N)c1)C(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000490907196 267316904 /nfs/dbraw/zinc/31/69/04/267316904.db2.gz GTYRDUFDEXOIHE-LICLKQGHSA-N -1 3 317.348 2.829 20 50 DFGDHM Cc1cc([C@@H]2CCCN2C(=O)/C(C#N)=C/c2ccc([O-])cc2)on1 ZINC000490974223 268021860 /nfs/dbraw/zinc/02/18/60/268021860.db2.gz MVQKZJIALTXMJS-DKGMDFAASA-N -1 3 323.352 2.959 20 50 DFGDHM Cc1cccc(CCCNC(=O)/C(C#N)=C\c2ccc([O-])cc2)n1 ZINC000490940529 268051607 /nfs/dbraw/zinc/05/16/07/268051607.db2.gz IYUNVHHADGOJOO-VBKFSLOCSA-N -1 3 321.380 2.752 20 50 DFGDHM N#CC(=Cc1ccc([O-])cc1)C(=O)N1CCCC[C@H]1c1cc[nH]n1 ZINC000490941430 268142293 /nfs/dbraw/zinc/14/22/93/268142293.db2.gz KXFFQDZXJIXTOY-IFCKCIONSA-N -1 3 322.368 2.776 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCCC[C@@H]1C(F)F ZINC000490937459 268150857 /nfs/dbraw/zinc/15/08/57/268150857.db2.gz CVIWPFAEWLXZKH-BRADTZPFSA-N -1 3 306.312 2.945 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCOCc2ccccc21 ZINC000490695236 268151194 /nfs/dbraw/zinc/15/11/94/268151194.db2.gz MNCCMJKVSCPSHI-LFIBNONCSA-N -1 3 320.348 2.863 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000491085579 268152057 /nfs/dbraw/zinc/15/20/57/268152057.db2.gz REQUNBDKCWHOLJ-XDXAXWGRSA-N -1 3 308.381 2.946 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCCc1nccs1 ZINC000490976163 268153004 /nfs/dbraw/zinc/15/30/04/268153004.db2.gz QNTQECDCQGGSAT-JLHYYAGUSA-N -1 3 313.382 2.505 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000491087332 268155244 /nfs/dbraw/zinc/15/52/44/268155244.db2.gz WYCSQJUDAZHDMI-JIIJFUIFSA-N -1 3 320.348 2.808 20 50 DFGDHM O=C(CCC1CCCCC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405875 607334581 /nfs/dbraw/zinc/33/45/81/607334581.db2.gz XIGGSQKSQPEUBB-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM O=C(CCC1CCCCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826405875 607334583 /nfs/dbraw/zinc/33/45/83/607334583.db2.gz XIGGSQKSQPEUBB-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM C[C@H]1CCC[C@H](CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824925971 607340413 /nfs/dbraw/zinc/34/04/13/607340413.db2.gz HWCLSZGPMOWCBW-RYUDHWBXSA-N -1 3 314.393 2.526 20 50 DFGDHM Cc1cccc2[nH]c(C(C#N)=Cc3ccc(-c4nnn[n-]4)o3)nc21 ZINC000822332672 599379316 /nfs/dbraw/zinc/37/93/16/599379316.db2.gz RFSCVYCZVAPLFN-JXMROGBWSA-N -1 3 317.312 2.709 20 50 DFGDHM Cc1cccc2[nH]c(C(C#N)=Cc3ccc(-c4nn[n-]n4)o3)nc21 ZINC000822332672 599379317 /nfs/dbraw/zinc/37/93/17/599379317.db2.gz RFSCVYCZVAPLFN-JXMROGBWSA-N -1 3 317.312 2.709 20 50 DFGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821007665 607459613 /nfs/dbraw/zinc/45/96/13/607459613.db2.gz CDNYQBHGDOGXIG-JLATVTFTSA-N -1 3 313.336 2.918 20 50 DFGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821007665 607459614 /nfs/dbraw/zinc/45/96/14/607459614.db2.gz CDNYQBHGDOGXIG-JLATVTFTSA-N -1 3 313.336 2.918 20 50 DFGDHM O=C(CC1CCCCCC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404101 607728128 /nfs/dbraw/zinc/72/81/28/607728128.db2.gz OKPSZCRLQNTXCA-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM O=C(CC1CCCCCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404101 607728130 /nfs/dbraw/zinc/72/81/30/607728130.db2.gz OKPSZCRLQNTXCA-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM CC1(C)CCC(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824795923 607732791 /nfs/dbraw/zinc/73/27/91/607732791.db2.gz IYURVYQHEYZVDU-UHFFFAOYSA-N -1 3 314.393 2.526 20 50 DFGDHM CC1(C)CCC(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824795923 607732792 /nfs/dbraw/zinc/73/27/92/607732792.db2.gz IYURVYQHEYZVDU-UHFFFAOYSA-N -1 3 314.393 2.526 20 50 DFGDHM CCC[C@@H](C)C(CC)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821015421 606239460 /nfs/dbraw/zinc/23/94/60/606239460.db2.gz PXHUQDGWNZKFCG-LLVKDONJSA-N -1 3 314.393 2.799 20 50 DFGDHM CCC[C@@H](C)C(CC)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821015421 606239461 /nfs/dbraw/zinc/23/94/61/606239461.db2.gz PXHUQDGWNZKFCG-LLVKDONJSA-N -1 3 314.393 2.799 20 50 DFGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000826379285 607883684 /nfs/dbraw/zinc/88/36/84/607883684.db2.gz NVTIGGULSHHBIU-LCYFTJDESA-N -1 3 318.296 2.839 20 50 DFGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000826379285 607883685 /nfs/dbraw/zinc/88/36/85/607883685.db2.gz NVTIGGULSHHBIU-LCYFTJDESA-N -1 3 318.296 2.839 20 50 DFGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000826379408 607883783 /nfs/dbraw/zinc/88/37/83/607883783.db2.gz QUUMFKMJQNZIJK-XFXZXTDPSA-N -1 3 313.324 2.807 20 50 DFGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000826379408 607883784 /nfs/dbraw/zinc/88/37/84/607883784.db2.gz QUUMFKMJQNZIJK-XFXZXTDPSA-N -1 3 313.324 2.807 20 50 DFGDHM CC1(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CCCCCC1 ZINC000824783597 609296655 /nfs/dbraw/zinc/29/66/55/609296655.db2.gz HNAKIUDRWNBFSR-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM CC1(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CCCCCC1 ZINC000824783597 609296657 /nfs/dbraw/zinc/29/66/57/609296657.db2.gz HNAKIUDRWNBFSR-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM CCCC[C@@H](CC)C(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000044000645 398634799 /nfs/dbraw/zinc/63/47/99/398634799.db2.gz XAHHKXPIMAKAQF-LLVKDONJSA-N -1 3 307.350 2.572 20 50 DFGDHM CC[C@H]1CCCC[C@@H]1NC(=O)N[N-]C(=O)c1ccccc1F ZINC000079541604 399056081 /nfs/dbraw/zinc/05/60/81/399056081.db2.gz INYGHWUEFLEEDT-FZMZJTMJSA-N -1 3 307.369 2.739 20 50 DFGDHM CCCC[C@@H](COC)NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000194674517 266038097 /nfs/dbraw/zinc/03/80/97/266038097.db2.gz KXACDTRODWFSRF-LTBFUDJGSA-N -1 3 302.374 2.621 20 50 DFGDHM CCOc1cc(/C=C(\C#N)C(=O)Nc2ccncc2)ccc1[O-] ZINC000180565141 266306349 /nfs/dbraw/zinc/30/63/49/266306349.db2.gz LONFUQCYIWNWHN-UKTHLTGXSA-N -1 3 309.325 2.732 20 50 DFGDHM CC(C)OCC(C)(C)NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000491135660 266928637 /nfs/dbraw/zinc/92/86/37/266928637.db2.gz USXQQVTZXWVWJB-ZROIWOOFSA-N -1 3 302.374 2.619 20 50 DFGDHM CCO/C=C(/C#N)C(=O)Nc1ccc([O-])c(COC(C)C)c1 ZINC000491175310 267101688 /nfs/dbraw/zinc/10/16/88/267101688.db2.gz KWCHZAUPBDRSHN-LCYFTJDESA-N -1 3 304.346 2.700 20 50 DFGDHM CCn1nc(C)c(NC(=O)/C(C#N)=C/c2ccc([O-])cc2)c1C ZINC000491051705 267260650 /nfs/dbraw/zinc/26/06/50/267260650.db2.gz TXRDBVXIWJHQPE-NTEUORMPSA-N -1 3 310.357 2.771 20 50 DFGDHM Cc1c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[O-])cc(C#N)n1C ZINC000194228425 267273668 /nfs/dbraw/zinc/27/36/68/267273668.db2.gz YNYIHUUAEATEKS-VGOFMYFVSA-N -1 3 320.352 2.765 20 50 DFGDHM Cc1ccc2c(c1)[C@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)CO2 ZINC000370079945 267452651 /nfs/dbraw/zinc/45/26/51/267452651.db2.gz GQEPMFWBIZMHPF-CRPZLVSXSA-N -1 3 320.348 2.858 20 50 DFGDHM Cc1ncc(CN(C)C(=O)/C(C#N)=C/c2ccc([O-])cc2)s1 ZINC000491130449 268082045 /nfs/dbraw/zinc/08/20/45/268082045.db2.gz IOIYLJXBGGVFKX-NTUHNPAUSA-N -1 3 313.382 2.723 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCCc1ccc(O)cc1 ZINC000491010046 268152414 /nfs/dbraw/zinc/15/24/14/268152414.db2.gz LGXHDLJREXVPGV-FOWTUZBSSA-N -1 3 322.364 2.754 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1cccc2c1COC2=O ZINC000491100401 268155870 /nfs/dbraw/zinc/15/58/70/268155870.db2.gz AQVLKIPSPPDBAZ-XYOKQWHBSA-N -1 3 320.304 2.608 20 50 DFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1CCCCCCC1 ZINC000826446260 607352229 /nfs/dbraw/zinc/35/22/29/607352229.db2.gz FRMAIKSPSQZNJM-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1F ZINC000737673637 598750867 /nfs/dbraw/zinc/75/08/67/598750867.db2.gz YXDHUNTYJJYJME-LCYFTJDESA-N -1 3 319.299 2.796 20 50 DFGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1F ZINC000737673637 598750868 /nfs/dbraw/zinc/75/08/68/598750868.db2.gz YXDHUNTYJJYJME-LCYFTJDESA-N -1 3 319.299 2.796 20 50 DFGDHM CCC(CC)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820893323 607457924 /nfs/dbraw/zinc/45/79/24/607457924.db2.gz NKTCTQBYKGVWGQ-QPEQYQDCSA-N -1 3 313.336 2.918 20 50 DFGDHM CCC(CC)C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820893323 607457926 /nfs/dbraw/zinc/45/79/26/607457926.db2.gz NKTCTQBYKGVWGQ-QPEQYQDCSA-N -1 3 313.336 2.918 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccsc1 ZINC000822795837 606391021 /nfs/dbraw/zinc/39/10/21/606391021.db2.gz IDKPQQUOSUUQAO-WEVVVXLNSA-N -1 3 313.367 2.780 20 50 DFGDHM CC1=CCC[C@@H](C)[C@H]1C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824852284 608289341 /nfs/dbraw/zinc/28/93/41/608289341.db2.gz JMEWSYPIKUFKGQ-DOMZBBRYSA-N -1 3 324.388 2.575 20 50 DFGDHM CC1=CCC[C@@H](C)[C@H]1C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824852284 608289343 /nfs/dbraw/zinc/28/93/43/608289343.db2.gz JMEWSYPIKUFKGQ-DOMZBBRYSA-N -1 3 324.388 2.575 20 50 DFGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825232370 608879472 /nfs/dbraw/zinc/87/94/72/608879472.db2.gz GNEHDKCMOJQEMI-QVIVLVACSA-N -1 3 313.336 2.918 20 50 DFGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825232370 608879473 /nfs/dbraw/zinc/87/94/73/608879473.db2.gz GNEHDKCMOJQEMI-QVIVLVACSA-N -1 3 313.336 2.918 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)C1CCCC1 ZINC000826378929 609372325 /nfs/dbraw/zinc/37/23/25/609372325.db2.gz FASFTSJUHLISPZ-QPEQYQDCSA-N -1 3 311.320 2.672 20 50 DFGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)C1CCCC1 ZINC000826378929 609372328 /nfs/dbraw/zinc/37/23/28/609372328.db2.gz FASFTSJUHLISPZ-QPEQYQDCSA-N -1 3 311.320 2.672 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000491013815 269941225 /nfs/dbraw/zinc/94/12/25/269941225.db2.gz VLQSQRJLINAWPZ-BAAYTWLHSA-N -1 3 312.369 2.517 20 50 DFGDHM CCSc1cccc(/C=C(\C#N)S(=O)(=O)[N-]C2CC2)c1 ZINC000195309700 266350494 /nfs/dbraw/zinc/35/04/94/266350494.db2.gz NJKNFLPYSONUFC-NTEUORMPSA-N -1 3 308.428 2.745 20 50 DFGDHM CCOc1ncccc1NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000490872082 267177024 /nfs/dbraw/zinc/17/70/24/267177024.db2.gz BEPVOSOKMZFNPX-JLHYYAGUSA-N -1 3 309.325 2.732 20 50 DFGDHM Cc1nc(CNC(=O)/C(C#N)=C\c2ccc([O-])cc2)sc1C ZINC000194706526 267601803 /nfs/dbraw/zinc/60/18/03/267601803.db2.gz LLJZRVPTPDTYRE-QPEQYQDCSA-N -1 3 313.382 2.689 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCc2ccc(C#N)cc21 ZINC000491162523 268151925 /nfs/dbraw/zinc/15/19/25/268151925.db2.gz RWLCIXSKLUDHCQ-CXUHLZMHSA-N -1 3 315.332 2.760 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NC[C@@H]1CCCC1(F)F ZINC000491082854 268152283 /nfs/dbraw/zinc/15/22/83/268152283.db2.gz KGXPBAPKOMTNRZ-RPHSKFLZSA-N -1 3 306.312 2.851 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NC[C@H]1COc2ccccc21 ZINC000491174598 268153595 /nfs/dbraw/zinc/15/35/95/268153595.db2.gz HXUIDHVJSIWMQK-HNRFISLBSA-N -1 3 320.348 2.592 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000491138788 268155942 /nfs/dbraw/zinc/15/59/42/268155942.db2.gz ZVBFTSAKDJSXAZ-YRNVUSSQSA-N -1 3 312.354 2.667 20 50 DFGDHM CCC(CC)(CC)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825089465 607347803 /nfs/dbraw/zinc/34/78/03/607347803.db2.gz GJFJPUUVTUQWCS-UHFFFAOYSA-N -1 3 302.382 2.526 20 50 DFGDHM CC(C)CCCCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824245275 607355722 /nfs/dbraw/zinc/35/57/22/607355722.db2.gz XGMOWBYOFKRVAW-UHFFFAOYSA-N -1 3 316.409 2.916 20 50 DFGDHM CCCCC[C@H](C)CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825265917 607356191 /nfs/dbraw/zinc/35/61/91/607356191.db2.gz CMQUUBWASPWVPU-LBPRGKRZSA-N -1 3 316.409 2.916 20 50 DFGDHM CCCCC(CC)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736438356 598788712 /nfs/dbraw/zinc/78/87/12/598788712.db2.gz ISFKFEKORIQILX-UHFFFAOYSA-N -1 3 300.366 2.553 20 50 DFGDHM CCCCC(CC)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736438356 598788713 /nfs/dbraw/zinc/78/87/13/598788713.db2.gz ISFKFEKORIQILX-UHFFFAOYSA-N -1 3 300.366 2.553 20 50 DFGDHM Cc1cccc2[nH]c(C(C#N)=Cc3ccc(-c4nnn[n-]4)o3)nc21 ZINC000822332677 599379936 /nfs/dbraw/zinc/37/99/36/599379936.db2.gz RFSCVYCZVAPLFN-YFHOEESVSA-N -1 3 317.312 2.709 20 50 DFGDHM Cc1cccc2[nH]c(C(C#N)=Cc3ccc(-c4nn[n-]n4)o3)nc21 ZINC000822332677 599379938 /nfs/dbraw/zinc/37/99/38/599379938.db2.gz RFSCVYCZVAPLFN-YFHOEESVSA-N -1 3 317.312 2.709 20 50 DFGDHM Cc1csc(C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000822409685 607456592 /nfs/dbraw/zinc/45/65/92/607456592.db2.gz ULDMYBPKPAKNDU-WCIBSUBMSA-N -1 3 312.333 2.835 20 50 DFGDHM Cc1csc(C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822409685 607456593 /nfs/dbraw/zinc/45/65/93/607456593.db2.gz ULDMYBPKPAKNDU-WCIBSUBMSA-N -1 3 312.333 2.835 20 50 DFGDHM C[C@@H]1CCCC[C@H]1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824937934 607723996 /nfs/dbraw/zinc/72/39/96/607723996.db2.gz SBHOGBJLKOGVKW-NEPJUHHUSA-N -1 3 314.393 2.526 20 50 DFGDHM C[C@@H]1CCCC[C@H]1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824937934 607723998 /nfs/dbraw/zinc/72/39/98/607723998.db2.gz SBHOGBJLKOGVKW-NEPJUHHUSA-N -1 3 314.393 2.526 20 50 DFGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2[nH]1 ZINC000822795830 606303014 /nfs/dbraw/zinc/30/30/14/606303014.db2.gz HVQSTSHUJSVCNJ-WEVVVXLNSA-N -1 3 319.353 2.869 20 50 DFGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2[nH]1 ZINC000822795830 606303015 /nfs/dbraw/zinc/30/30/15/606303015.db2.gz HVQSTSHUJSVCNJ-WEVVVXLNSA-N -1 3 319.353 2.869 20 50 DFGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821008304 606307089 /nfs/dbraw/zinc/30/70/89/606307089.db2.gz IUIYMUKDOJSVOP-UMYFRRCYSA-N -1 3 301.375 2.840 20 50 DFGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821008304 606307091 /nfs/dbraw/zinc/30/70/91/606307091.db2.gz IUIYMUKDOJSVOP-UMYFRRCYSA-N -1 3 301.375 2.840 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2[nH]1 ZINC000822795921 606387619 /nfs/dbraw/zinc/38/76/19/606387619.db2.gz JAIVWLTUJHBATN-VQHVLOKHSA-N -1 3 319.353 2.869 20 50 DFGDHM CCC(CC)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000820893308 606390409 /nfs/dbraw/zinc/39/04/09/606390409.db2.gz MVFCAECUILQDID-JXMROGBWSA-N -1 3 301.375 2.840 20 50 DFGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821008841 606392507 /nfs/dbraw/zinc/39/25/07/606392507.db2.gz MHCIVRPCUTVTKP-HZAKCSEPSA-N -1 3 301.375 2.840 20 50 DFGDHM CCCC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)CCC ZINC000825218942 608164812 /nfs/dbraw/zinc/16/48/12/608164812.db2.gz GOPUEDIIPRWQGG-UHFFFAOYSA-N -1 3 314.393 2.836 20 50 DFGDHM CC[C@H]1CCCCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825191545 609516906 /nfs/dbraw/zinc/51/69/06/609516906.db2.gz BZSGHUAEFVOBQB-NSHDSACASA-N -1 3 312.377 2.553 20 50 DFGDHM CC[C@H]1CCCCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825191545 609516907 /nfs/dbraw/zinc/51/69/07/609516907.db2.gz BZSGHUAEFVOBQB-NSHDSACASA-N -1 3 312.377 2.553 20 50 DFGDHM Cc1ccc(C(=O)N[N-]C(=O)c2sc(C(C)(C)C)nc2C)o1 ZINC000084284723 398397030 /nfs/dbraw/zinc/39/70/30/398397030.db2.gz BIJGYZXVWADOEX-UHFFFAOYSA-N -1 3 321.402 2.725 20 50 DFGDHM O=C(N[N-]C(=O)c1ccccc1F)NC1CCCCCCC1 ZINC000042952895 398607541 /nfs/dbraw/zinc/60/75/41/398607541.db2.gz UYSOEWXDLMMUCN-UHFFFAOYSA-N -1 3 307.369 2.883 20 50 DFGDHM O=C(NCCC1=CCCCC1)N[N-]C(=O)c1ccccc1F ZINC000042837631 398603749 /nfs/dbraw/zinc/60/37/49/398603749.db2.gz MYWMDDBQIZVVIY-UHFFFAOYSA-N -1 3 305.353 2.660 20 50 DFGDHM C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc([O-])cc2)C[C@@H](C)S1 ZINC000490909479 269857078 /nfs/dbraw/zinc/85/70/78/269857078.db2.gz OCJRGDLCAWJLHY-CDXFXEMCSA-N -1 3 302.399 2.652 20 50 DFGDHM CCC1(CNC(=O)/C(C#N)=C\c2ccc([O-])cc2)CCOCC1 ZINC000279231728 266013353 /nfs/dbraw/zinc/01/33/53/266013353.db2.gz RLTNYVJLXUPKTI-PTNGSMBKSA-N -1 3 314.385 2.622 20 50 DFGDHM CCO/C=C(\C#N)C(=O)Nc1ccc([O-])c(COC(C)C)c1 ZINC000292648305 266233230 /nfs/dbraw/zinc/23/32/30/266233230.db2.gz KWCHZAUPBDRSHN-UKTHLTGXSA-N -1 3 304.346 2.700 20 50 DFGDHM CC[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc([O-])cc2)CCS1 ZINC000194700831 266372964 /nfs/dbraw/zinc/37/29/64/266372964.db2.gz LTHOTXQNADVVNU-UZGISAJGSA-N -1 3 302.399 2.653 20 50 DFGDHM C[C@@H]1CCSCCN1C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000194899143 267026235 /nfs/dbraw/zinc/02/62/35/267026235.db2.gz CIDGIURGUGUKRW-XTCQQWIJSA-N -1 3 302.399 2.653 20 50 DFGDHM CCOC[C@H]1CCCCN1C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000491014644 267140852 /nfs/dbraw/zinc/14/08/52/267140852.db2.gz YCWPNIJSOPANMQ-UVQBRAAOSA-N -1 3 314.385 2.717 20 50 DFGDHM C[C@H]1CCC[C@@](C#N)(NC(=O)/C(C#N)=C\c2ccc([O-])cc2)C1 ZINC000185677379 267215541 /nfs/dbraw/zinc/21/55/41/267215541.db2.gz WEEAZLMBTBSFHV-ILYAJZJNSA-N -1 3 309.369 2.888 20 50 DFGDHM Cc1cn2cc(NC(=O)/C(C#N)=C/c3ccc([O-])cc3)ccc2n1 ZINC000491012394 268070714 /nfs/dbraw/zinc/07/07/14/268070714.db2.gz RALNHZHCXFICNC-RIYZIHGNSA-N -1 3 318.336 2.894 20 50 DFGDHM N#C/C(=C/c1ccc([O-])c(CO)c1)C(=O)Nc1ccc(F)cc1 ZINC000490878580 268140099 /nfs/dbraw/zinc/14/00/99/268140099.db2.gz OPXYVLQCGKJBNC-GHXNOFRVSA-N -1 3 312.300 2.569 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)Nc1nc2c(s1)CCC2 ZINC000491164037 268142743 /nfs/dbraw/zinc/14/27/43/268142743.db2.gz ZEGUVUZDMYZTIX-FLIBITNWSA-N -1 3 311.366 2.883 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000491085578 268151416 /nfs/dbraw/zinc/15/14/16/268151416.db2.gz REQUNBDKCWHOLJ-RAQZJCPISA-N -1 3 308.381 2.946 20 50 DFGDHM CCCC[C@H](CC)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825261406 607345526 /nfs/dbraw/zinc/34/55/26/607345526.db2.gz YQWHYEUQHVTCSZ-NSHDSACASA-N -1 3 302.382 2.526 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)cc1 ZINC000737670784 598430627 /nfs/dbraw/zinc/43/06/27/598430627.db2.gz CYNQMRYYBIYCML-NTEUORMPSA-N -1 3 319.299 2.796 20 50 DFGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)cc1 ZINC000737670784 598430629 /nfs/dbraw/zinc/43/06/29/598430629.db2.gz CYNQMRYYBIYCML-NTEUORMPSA-N -1 3 319.299 2.796 20 50 DFGDHM Cc1occc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822552682 607456562 /nfs/dbraw/zinc/45/65/62/607456562.db2.gz FJPJOUWAIHYQAF-WUXMJOGZSA-N -1 3 323.287 2.697 20 50 DFGDHM Cc1occc1C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822552682 607456563 /nfs/dbraw/zinc/45/65/63/607456563.db2.gz FJPJOUWAIHYQAF-WUXMJOGZSA-N -1 3 323.287 2.697 20 50 DFGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC000826378791 607883591 /nfs/dbraw/zinc/88/35/91/607883591.db2.gz AKWLJKGZBSYIHL-GXDHUFHOSA-N -1 3 301.309 2.657 20 50 DFGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC000826378791 607883592 /nfs/dbraw/zinc/88/35/92/607883592.db2.gz AKWLJKGZBSYIHL-GXDHUFHOSA-N -1 3 301.309 2.657 20 50 DFGDHM CC1=CCC[C@@H](C)[C@H]1C=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824853043 608289671 /nfs/dbraw/zinc/28/96/71/608289671.db2.gz VTOSFZMBSNIPNN-DOMZBBRYSA-N -1 3 324.388 2.575 20 50 DFGDHM CC1=CCC[C@@H](C)[C@H]1C=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824853043 608289673 /nfs/dbraw/zinc/28/96/73/608289673.db2.gz VTOSFZMBSNIPNN-DOMZBBRYSA-N -1 3 324.388 2.575 20 50 DFGDHM CC1=CCC[C@H](C)[C@H]1C=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824853049 608289952 /nfs/dbraw/zinc/28/99/52/608289952.db2.gz VTOSFZMBSNIPNN-WFASDCNBSA-N -1 3 324.388 2.575 20 50 DFGDHM CC1=CCC[C@H](C)[C@H]1C=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824853049 608289954 /nfs/dbraw/zinc/28/99/54/608289954.db2.gz VTOSFZMBSNIPNN-WFASDCNBSA-N -1 3 324.388 2.575 20 50 DFGDHM Cc1cccc(C)c1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826297186 608805462 /nfs/dbraw/zinc/80/54/62/608805462.db2.gz YHDCRBHKGCTPTO-UHFFFAOYSA-N -1 3 323.360 2.632 20 50 DFGDHM Cc1cccc(C)c1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826297186 608805463 /nfs/dbraw/zinc/80/54/63/608805463.db2.gz YHDCRBHKGCTPTO-UHFFFAOYSA-N -1 3 323.360 2.632 20 50 DFGDHM Cc1occc1C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826342255 608876877 /nfs/dbraw/zinc/87/68/77/608876877.db2.gz CPVODKIILLONPO-IZZDOVSWSA-N -1 3 323.287 2.697 20 50 DFGDHM Cc1occc1C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826342255 608876880 /nfs/dbraw/zinc/87/68/80/608876880.db2.gz CPVODKIILLONPO-IZZDOVSWSA-N -1 3 323.287 2.697 20 50 DFGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825232374 608879238 /nfs/dbraw/zinc/87/92/38/608879238.db2.gz GNEHDKCMOJQEMI-VPMLRQHESA-N -1 3 313.336 2.918 20 50 DFGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825232374 608879241 /nfs/dbraw/zinc/87/92/41/608879241.db2.gz GNEHDKCMOJQEMI-VPMLRQHESA-N -1 3 313.336 2.918 20 50 DFGDHM CCC(CC)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825097448 608879434 /nfs/dbraw/zinc/87/94/34/608879434.db2.gz WWPBOLQVVHGXFS-GHXNOFRVSA-N -1 3 313.336 2.918 20 50 DFGDHM CCC(CC)C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825097448 608879432 /nfs/dbraw/zinc/87/94/32/608879432.db2.gz WWPBOLQVVHGXFS-GHXNOFRVSA-N -1 3 313.336 2.918 20 50 DFGDHM COc1ccc(C=C(C#N)C(=O)C2CCCC2)cc1-c1nnn[n-]1 ZINC000826191091 609371856 /nfs/dbraw/zinc/37/18/56/609371856.db2.gz WSMCZNDIDXAEHD-JYRVWZFOSA-N -1 3 323.356 2.542 20 50 DFGDHM COc1ccc(C=C(C#N)C(=O)C2CCCC2)cc1-c1nn[n-]n1 ZINC000826191091 609371858 /nfs/dbraw/zinc/37/18/58/609371858.db2.gz WSMCZNDIDXAEHD-JYRVWZFOSA-N -1 3 323.356 2.542 20 50 DFGDHM C[C@H]1CCC[C@@H](CNC(=O)N[N-]C(=O)c2ccccc2F)C1 ZINC000056814507 398991565 /nfs/dbraw/zinc/99/15/65/398991565.db2.gz SKOAEGYVMLRQNA-NWDGAFQWSA-N -1 3 307.369 2.596 20 50 DFGDHM C[C@H]1CCC[C@H](CNC(=O)N[N-]C(=O)c2ccccc2F)C1 ZINC000056814503 398992416 /nfs/dbraw/zinc/99/24/16/398992416.db2.gz SKOAEGYVMLRQNA-RYUDHWBXSA-N -1 3 307.369 2.596 20 50 DFGDHM CCN(Cc1ccncc1)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000490972441 267071286 /nfs/dbraw/zinc/07/12/86/267071286.db2.gz KDQIIMYVFGMFRJ-WJDWOHSUSA-N -1 3 307.353 2.743 20 50 DFGDHM C[C@@H]1C[C@@H](CCNC(=O)/C(C#N)=C\c2ccc([O-])cc2)CCO1 ZINC000280162926 267075544 /nfs/dbraw/zinc/07/55/44/267075544.db2.gz IFTMINAXLZJCKU-QDFKPCHESA-N -1 3 314.385 2.621 20 50 DFGDHM CNc1ccc(C#N)cc1NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000490940853 267353206 /nfs/dbraw/zinc/35/32/06/267353206.db2.gz JOVLEAVCPVHQLB-ZSOIEALJSA-N -1 3 318.336 2.851 20 50 DFGDHM Cc1cc([C@@H]2CCCN2C(=O)/C(C#N)=C\c2ccc([O-])cc2)no1 ZINC000365503147 267362558 /nfs/dbraw/zinc/36/25/58/267362558.db2.gz DOVFYAHHQRXIIV-QXSWTLKVSA-N -1 3 323.352 2.959 20 50 DFGDHM N#CC(=Cc1ccc([O-])cc1)C(=O)Nc1nc2cc(F)ccc2[nH]1 ZINC000491173765 268142712 /nfs/dbraw/zinc/14/27/12/268142712.db2.gz FKSKAAWOIQPXOI-XFFZJAGNSA-N -1 3 322.299 2.953 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000491138786 268142813 /nfs/dbraw/zinc/14/28/13/268142813.db2.gz ZVBFTSAKDJSXAZ-XFFZJAGNSA-N -1 3 312.354 2.667 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCC[C@@H](O)c1ccccc1 ZINC000491010226 268152242 /nfs/dbraw/zinc/15/22/42/268152242.db2.gz LSGVFINFCYOSSD-FXFXYLOPSA-N -1 3 322.364 2.539 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCC#Cc1cccc(F)c1 ZINC000490945047 268152814 /nfs/dbraw/zinc/15/28/14/268152814.db2.gz ZODKKINQZMFOOS-LFIBNONCSA-N -1 3 320.323 2.606 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCc1ccc(F)c(F)c1 ZINC000490700129 268154114 /nfs/dbraw/zinc/15/41/14/268154114.db2.gz UNHXUQJQEGFUQB-NTUHNPAUSA-N -1 3 314.291 2.894 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1cccc2c1OCO2 ZINC000490970089 268156059 /nfs/dbraw/zinc/15/60/59/268156059.db2.gz GBAFELUGDRTBCN-XYOKQWHBSA-N -1 3 308.293 2.667 20 50 DFGDHM C=CCN(CC(F)(F)F)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000490879161 269558204 /nfs/dbraw/zinc/55/82/04/269558204.db2.gz QMPJWWSRLANUJJ-WQLSENKSSA-N -1 3 310.275 2.876 20 50 DFGDHM CC[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825038588 607348130 /nfs/dbraw/zinc/34/81/30/607348130.db2.gz GAYHWXRLVODVOI-OAHLLOKOSA-N -1 3 322.372 2.504 20 50 DFGDHM CCCCCC(C)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736441535 598730623 /nfs/dbraw/zinc/73/06/23/598730623.db2.gz RPZBQBCGKHZEEV-UHFFFAOYSA-N -1 3 300.366 2.553 20 50 DFGDHM CCCCCC(C)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736441535 598730625 /nfs/dbraw/zinc/73/06/25/598730625.db2.gz RPZBQBCGKHZEEV-UHFFFAOYSA-N -1 3 300.366 2.553 20 50 DFGDHM Cc1ccc(C)c(NNC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826285341 607381974 /nfs/dbraw/zinc/38/19/74/607381974.db2.gz WZXKWKXEZJSQLI-UHFFFAOYSA-N -1 3 322.372 2.549 20 50 DFGDHM Cc1ccc(C)c(NNC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826285341 607381976 /nfs/dbraw/zinc/38/19/76/607381976.db2.gz WZXKWKXEZJSQLI-UHFFFAOYSA-N -1 3 322.372 2.549 20 50 DFGDHM CCCC[C@@H](CC)CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825258784 607717179 /nfs/dbraw/zinc/71/71/79/607717179.db2.gz DJWHYHGRGJJJNN-GFCCVEGCSA-N -1 3 316.409 2.916 20 50 DFGDHM CCCC[C@@H](CC)CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825258784 607717180 /nfs/dbraw/zinc/71/71/80/607717180.db2.gz DJWHYHGRGJJJNN-GFCCVEGCSA-N -1 3 316.409 2.916 20 50 DFGDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=CC#N)c1ccccc1 ZINC000821608483 606183472 /nfs/dbraw/zinc/18/34/72/606183472.db2.gz JGKZKKOBXJFWEW-GZTJUZNOSA-N -1 3 316.368 2.863 20 50 DFGDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=CC#N)c1ccccc1 ZINC000821608483 606183474 /nfs/dbraw/zinc/18/34/74/606183474.db2.gz JGKZKKOBXJFWEW-GZTJUZNOSA-N -1 3 316.368 2.863 20 50 DFGDHM CCC(CC)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820893963 606305266 /nfs/dbraw/zinc/30/52/66/606305266.db2.gz YXFMXKGUJJTZJE-BJMVGYQFSA-N -1 3 301.375 2.840 20 50 DFGDHM CCC(CC)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820893963 606305269 /nfs/dbraw/zinc/30/52/69/606305269.db2.gz YXFMXKGUJJTZJE-BJMVGYQFSA-N -1 3 301.375 2.840 20 50 DFGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821008296 606306993 /nfs/dbraw/zinc/30/69/93/606306993.db2.gz IUIYMUKDOJSVOP-JRZFIGEHSA-N -1 3 301.375 2.840 20 50 DFGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821008296 606306995 /nfs/dbraw/zinc/30/69/95/606306995.db2.gz IUIYMUKDOJSVOP-JRZFIGEHSA-N -1 3 301.375 2.840 20 50 DFGDHM CC(C)(C(=O)NNc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000824064942 607942957 /nfs/dbraw/zinc/94/29/57/607942957.db2.gz PATDHNMONSGPJX-UHFFFAOYSA-N -1 3 314.393 2.526 20 50 DFGDHM N#CC(=Cc1ccccc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379701 608217854 /nfs/dbraw/zinc/21/78/54/608217854.db2.gz ZBGNHNARCHOBPX-DHDCSXOGSA-N -1 3 301.309 2.657 20 50 DFGDHM N#CC(=Cc1ccccc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379701 608217855 /nfs/dbraw/zinc/21/78/55/608217855.db2.gz ZBGNHNARCHOBPX-DHDCSXOGSA-N -1 3 301.309 2.657 20 50 DFGDHM CC[C@H]1CCCC[C@H]1NC(=O)N[N-]C(=O)c1ccccc1F ZINC000079541610 399055865 /nfs/dbraw/zinc/05/58/65/399055865.db2.gz INYGHWUEFLEEDT-SMDDNHRTSA-N -1 3 307.369 2.739 20 50 DFGDHM COc1ccc(CCNC(=O)/C(C#N)=C\c2cccc([O-])c2)cc1 ZINC000193793398 269775942 /nfs/dbraw/zinc/77/59/42/269775942.db2.gz YGJHLOZDWJPGNK-WJDWOHSUSA-N -1 3 322.364 2.667 20 50 DFGDHM CCOCCC1(CNC(=O)/C(C#N)=C\c2ccc([O-])cc2)CC1 ZINC000194798233 266270998 /nfs/dbraw/zinc/27/09/98/266270998.db2.gz GSMDRTVIMROPMP-PTNGSMBKSA-N -1 3 314.385 2.622 20 50 DFGDHM CCO[C@@H](CCNC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(C)C ZINC000194716948 266289540 /nfs/dbraw/zinc/28/95/40/266289540.db2.gz FRZBWHXPDPXTEG-HKBKRHGFSA-N -1 3 316.401 2.867 20 50 DFGDHM C[C@@H]1c2cccn2CCN1C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000194140023 267112426 /nfs/dbraw/zinc/11/24/26/267112426.db2.gz MVRQEORYZATYSY-LKKYZFDUSA-N -1 3 307.353 2.704 20 50 DFGDHM CN(C)c1cccc(CNC(=O)/C(C#N)=C/c2ccc([O-])cc2)c1 ZINC000491102091 267294098 /nfs/dbraw/zinc/29/40/98/267294098.db2.gz GUQOSTYZOZZTEM-MHWRWJLKSA-N -1 3 321.380 2.682 20 50 DFGDHM COc1cc(CNC(=O)/C(C#N)=C/c2ccc([O-])cc2)ccc1C ZINC000491173478 267583326 /nfs/dbraw/zinc/58/33/26/267583326.db2.gz CUHRTBVTJJVSNE-CXUHLZMHSA-N -1 3 322.364 2.933 20 50 DFGDHM C[C@H](Cc1ccc(O)cc1)NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000490909705 267830485 /nfs/dbraw/zinc/83/04/85/267830485.db2.gz ORAHPBHJPKKNSW-KWWJGWKXSA-N -1 3 322.364 2.752 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000491009275 268142449 /nfs/dbraw/zinc/14/24/49/268142449.db2.gz JRDAVDQUPANORK-OZVXOSDZSA-N -1 3 324.380 2.659 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NC1CC(C(F)(F)F)C1 ZINC000491177276 268152103 /nfs/dbraw/zinc/15/21/03/268152103.db2.gz VOQYDFBWYINPIQ-BJMVGYQFSA-N -1 3 310.275 2.756 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCc1ccc2c(c1)COC2 ZINC000491006729 268153781 /nfs/dbraw/zinc/15/37/81/268153781.db2.gz FACSIYANWSFCOZ-FRKPEAEDSA-N -1 3 320.348 2.646 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NC[C@H]1CCCCS1 ZINC000491013760 268154335 /nfs/dbraw/zinc/15/43/35/268154335.db2.gz VDPKKVCCHFOPKC-BMQCOBNYSA-N -1 3 302.399 2.701 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000491130958 268155104 /nfs/dbraw/zinc/15/51/04/268155104.db2.gz KAVKEYXDNHDDAG-YQCJOKCJSA-N -1 3 306.312 2.993 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1nc2c(s1)CCC2 ZINC000491164036 268155742 /nfs/dbraw/zinc/15/57/42/268155742.db2.gz ZEGUVUZDMYZTIX-DHZHZOJOSA-N -1 3 311.366 2.883 20 50 DFGDHM CCCC[C@H](CC)CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825258786 607717253 /nfs/dbraw/zinc/71/72/53/607717253.db2.gz DJWHYHGRGJJJNN-LBPRGKRZSA-N -1 3 316.409 2.916 20 50 DFGDHM CCCC[C@H](CC)CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825258786 607717254 /nfs/dbraw/zinc/71/72/54/607717254.db2.gz DJWHYHGRGJJJNN-LBPRGKRZSA-N -1 3 316.409 2.916 20 50 DFGDHM CCc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825723187 608804234 /nfs/dbraw/zinc/80/42/34/608804234.db2.gz TXQFXJXPNYKRSV-UHFFFAOYSA-N -1 3 323.360 2.578 20 50 DFGDHM CCc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825723187 608804237 /nfs/dbraw/zinc/80/42/37/608804237.db2.gz TXQFXJXPNYKRSV-UHFFFAOYSA-N -1 3 323.360 2.578 20 50 DFGDHM CCOc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1[O-] ZINC000006537439 263985711 /nfs/dbraw/zinc/98/57/11/263985711.db2.gz LSXDVDJHEZNHTO-YRNVUSSQSA-N -1 3 315.354 2.793 20 50 DFGDHM CCC(CC)(CNC(=O)/C(C#N)=C/c1ccc([O-])cc1)OC ZINC000490943958 266995978 /nfs/dbraw/zinc/99/59/78/266995978.db2.gz UMEQTONINYKLLP-GXDHUFHOSA-N -1 3 302.374 2.621 20 50 DFGDHM CCO/C=C(\C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000490700371 267110005 /nfs/dbraw/zinc/11/00/05/267110005.db2.gz VGHIIDJTQXWZJV-BQYQJAHWSA-N -1 3 316.235 2.673 20 50 DFGDHM C[C@H](CNC(=O)/C(C#N)=C\c1ccc([O-])cc1)Oc1ccccc1 ZINC000185655017 267157329 /nfs/dbraw/zinc/15/73/29/267157329.db2.gz BDARSXDSHSBQFT-VQCBNXJZSA-N -1 3 322.364 2.883 20 50 DFGDHM CCOc1ccc(NNC(=O)/C(C#N)=C\c2ccc([O-])cc2)cc1 ZINC000491174668 267171215 /nfs/dbraw/zinc/17/12/15/267171215.db2.gz IJCMJCBJSGBQCQ-KAMYIIQDSA-N -1 3 323.352 2.841 20 50 DFGDHM CN(C(=O)/C(C#N)=C/c1ccc([O-])cc1)[C@H](CO)CC(C)(C)C ZINC000491012584 267267086 /nfs/dbraw/zinc/26/70/86/267267086.db2.gz ROPIFDRCQQQZDU-HNRFISLBSA-N -1 3 316.401 2.555 20 50 DFGDHM Cc1cccc(CCCNC(=O)/C(C#N)=C/c2ccc([O-])cc2)n1 ZINC000490940527 268051455 /nfs/dbraw/zinc/05/14/55/268051455.db2.gz IYUNVHHADGOJOO-FOWTUZBSSA-N -1 3 321.380 2.752 20 50 DFGDHM Cc1cn2cc(NC(=O)/C(C#N)=C\c3ccc([O-])cc3)ccc2n1 ZINC000491012395 268070873 /nfs/dbraw/zinc/07/08/73/268070873.db2.gz RALNHZHCXFICNC-ZSOIEALJSA-N -1 3 318.336 2.894 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)Nc1nc2ccccc2[nH]1 ZINC000490878704 268142725 /nfs/dbraw/zinc/14/27/25/268142725.db2.gz PSWQGXWGDZZWNP-XFXZXTDPSA-N -1 3 304.309 2.814 20 50 DFGDHM N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000490847644 268148423 /nfs/dbraw/zinc/14/84/23/268148423.db2.gz YEUNBUKSCXJVGU-NTUHNPAUSA-N -1 3 314.291 2.894 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NC1(CCO)CCCCC1 ZINC000491105146 268152085 /nfs/dbraw/zinc/15/20/85/268152085.db2.gz PPHCLFPUEBMLDD-NTCAYCPXSA-N -1 3 314.385 2.501 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCc1ccc2c(c1)CCO2 ZINC000491051158 268153649 /nfs/dbraw/zinc/15/36/49/268153649.db2.gz RNLWIYVJGUZKMG-CXUHLZMHSA-N -1 3 320.348 2.550 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000491045697 268153786 /nfs/dbraw/zinc/15/37/86/268153786.db2.gz FRGUEPJLRWNBRZ-ZGUWOUCSSA-N -1 3 321.311 2.819 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000491088218 268155211 /nfs/dbraw/zinc/15/52/11/268155211.db2.gz YXFFKUGYMDZYSS-NTUHNPAUSA-N -1 3 320.304 2.608 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1cc2c(cn1)CCC2 ZINC000491158040 268155396 /nfs/dbraw/zinc/15/53/96/268155396.db2.gz CDJUFVGVEWMWTR-OVCLIPMQSA-N -1 3 305.337 2.822 20 50 DFGDHM CCCCC[C@H](C)CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825268610 607337246 /nfs/dbraw/zinc/33/72/46/607337246.db2.gz WDNPTBMJFMNBKT-LBPRGKRZSA-N -1 3 316.409 2.916 20 50 DFGDHM CCCCC[C@H](C)CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825268610 607337248 /nfs/dbraw/zinc/33/72/48/607337248.db2.gz WDNPTBMJFMNBKT-LBPRGKRZSA-N -1 3 316.409 2.916 20 50 DFGDHM C[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824925972 607340640 /nfs/dbraw/zinc/34/06/40/607340640.db2.gz HWCLSZGPMOWCBW-VXGBXAGGSA-N -1 3 314.393 2.526 20 50 DFGDHM CCCc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825348421 607341609 /nfs/dbraw/zinc/34/16/09/607341609.db2.gz KDIIILPFDAGZCW-UHFFFAOYSA-N -1 3 322.372 2.576 20 50 DFGDHM CCCC(CCC)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736427328 598733180 /nfs/dbraw/zinc/73/31/80/598733180.db2.gz XAXABHIANBWSBX-UHFFFAOYSA-N -1 3 300.366 2.553 20 50 DFGDHM CCCC(CCC)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736427328 598733181 /nfs/dbraw/zinc/73/31/81/598733181.db2.gz XAXABHIANBWSBX-UHFFFAOYSA-N -1 3 300.366 2.553 20 50 DFGDHM COc1ccc(C=C(C#N)c2nc(C)cs2)cc1-c1nnn[n-]1 ZINC000821787616 599379620 /nfs/dbraw/zinc/37/96/20/599379620.db2.gz WCQXUOCMALRJKS-VZUCSPMQSA-N -1 3 324.369 2.704 20 50 DFGDHM COc1ccc(C=C(C#N)c2nc(C)cs2)cc1-c1nn[n-]n1 ZINC000821787616 599379623 /nfs/dbraw/zinc/37/96/23/599379623.db2.gz WCQXUOCMALRJKS-VZUCSPMQSA-N -1 3 324.369 2.704 20 50 DFGDHM O=C(NN=C1CCC[C@@H](C2CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738129263 599536205 /nfs/dbraw/zinc/53/62/05/599536205.db2.gz RZSRPGOLRUKLCQ-CQSZACIVSA-N -1 3 324.388 2.553 20 50 DFGDHM O=C(NN=C1CCC[C@@H](C2CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738129263 599536207 /nfs/dbraw/zinc/53/62/07/599536207.db2.gz RZSRPGOLRUKLCQ-CQSZACIVSA-N -1 3 324.388 2.553 20 50 DFGDHM CC(CC1CCCC1)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824394151 607783019 /nfs/dbraw/zinc/78/30/19/607783019.db2.gz WAHFJYFLQKQKNB-UHFFFAOYSA-N -1 3 312.377 2.553 20 50 DFGDHM CC(CC1CCCC1)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824394151 607783020 /nfs/dbraw/zinc/78/30/20/607783020.db2.gz WAHFJYFLQKQKNB-UHFFFAOYSA-N -1 3 312.377 2.553 20 50 DFGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821007662 607459404 /nfs/dbraw/zinc/45/94/04/607459404.db2.gz CDNYQBHGDOGXIG-BNDQCTAISA-N -1 3 313.336 2.918 20 50 DFGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821007662 607459406 /nfs/dbraw/zinc/45/94/06/607459406.db2.gz CDNYQBHGDOGXIG-BNDQCTAISA-N -1 3 313.336 2.918 20 50 DFGDHM C[C@H]1CCC[C@@H](CC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824924985 607713281 /nfs/dbraw/zinc/71/32/81/607713281.db2.gz ADHWUIYSQVAPBV-NWDGAFQWSA-N -1 3 314.393 2.526 20 50 DFGDHM C[C@H]1CCC[C@@H](CC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824924985 607713282 /nfs/dbraw/zinc/71/32/82/607713282.db2.gz ADHWUIYSQVAPBV-NWDGAFQWSA-N -1 3 314.393 2.526 20 50 DFGDHM C[C@@H](CC1CCCC1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824394638 607729556 /nfs/dbraw/zinc/72/95/56/607729556.db2.gz YPBNPYKCQXJUHX-NSHDSACASA-N -1 3 314.393 2.526 20 50 DFGDHM C[C@@H](CC1CCCC1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824394638 607729558 /nfs/dbraw/zinc/72/95/58/607729558.db2.gz YPBNPYKCQXJUHX-NSHDSACASA-N -1 3 314.393 2.526 20 50 DFGDHM CCC[C@@H](C)C(CC)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821015549 606239533 /nfs/dbraw/zinc/23/95/33/606239533.db2.gz QHNFHAYSWDGSBJ-LLVKDONJSA-N -1 3 314.393 2.799 20 50 DFGDHM CCC[C@@H](C)C(CC)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821015549 606239535 /nfs/dbraw/zinc/23/95/35/606239535.db2.gz QHNFHAYSWDGSBJ-LLVKDONJSA-N -1 3 314.393 2.799 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000822796240 606387297 /nfs/dbraw/zinc/38/72/97/606387297.db2.gz NJCYWHGNSUENLR-JXMROGBWSA-N -1 3 324.325 2.901 20 50 DFGDHM CC1(C)CCCCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820597195 606860821 /nfs/dbraw/zinc/86/08/21/606860821.db2.gz ZVLXGZFZVSRSFM-UHFFFAOYSA-N -1 3 312.377 2.553 20 50 DFGDHM CC1(C)CCCCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820597195 606860823 /nfs/dbraw/zinc/86/08/23/606860823.db2.gz ZVLXGZFZVSRSFM-UHFFFAOYSA-N -1 3 312.377 2.553 20 50 DFGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCCCC1 ZINC000822796125 607121300 /nfs/dbraw/zinc/12/13/00/607121300.db2.gz MFKOTTLYAOUGEA-XNTDXEJSSA-N -1 3 307.357 2.923 20 50 DFGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCCCC1 ZINC000822796125 607121302 /nfs/dbraw/zinc/12/13/02/607121302.db2.gz MFKOTTLYAOUGEA-XNTDXEJSSA-N -1 3 307.357 2.923 20 50 DFGDHM CC1(C)CCC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824801721 607908904 /nfs/dbraw/zinc/90/89/04/607908904.db2.gz HBMKGCJVQSNWPU-LBPRGKRZSA-N -1 3 314.393 2.526 20 50 DFGDHM Cc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826297449 608216320 /nfs/dbraw/zinc/21/63/20/608216320.db2.gz IADKTUWKWOZMCF-CXUHLZMHSA-N -1 3 315.336 2.965 20 50 DFGDHM Cc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826297449 608216321 /nfs/dbraw/zinc/21/63/21/608216321.db2.gz IADKTUWKWOZMCF-CXUHLZMHSA-N -1 3 315.336 2.965 20 50 DFGDHM Cc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826306634 608217099 /nfs/dbraw/zinc/21/70/99/608217099.db2.gz GKLGJSXDUNRANA-SXGWCWSVSA-N -1 3 315.336 2.965 20 50 DFGDHM Cc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826306634 608217101 /nfs/dbraw/zinc/21/71/01/608217101.db2.gz GKLGJSXDUNRANA-SXGWCWSVSA-N -1 3 315.336 2.965 20 50 DFGDHM N#CC(=Cc1cccc(F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379502 608217765 /nfs/dbraw/zinc/21/77/65/608217765.db2.gz TZWZDPCENIAPMX-AUWJEWJLSA-N -1 3 319.299 2.796 20 50 DFGDHM N#CC(=Cc1cccc(F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379502 608217767 /nfs/dbraw/zinc/21/77/67/608217767.db2.gz TZWZDPCENIAPMX-AUWJEWJLSA-N -1 3 319.299 2.796 20 50 DFGDHM CCC(CC)C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825097458 608879008 /nfs/dbraw/zinc/87/90/08/608879008.db2.gz WWPBOLQVVHGXFS-KPKJPENVSA-N -1 3 313.336 2.918 20 50 DFGDHM CCC(CC)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825097458 608879010 /nfs/dbraw/zinc/87/90/10/608879010.db2.gz WWPBOLQVVHGXFS-KPKJPENVSA-N -1 3 313.336 2.918 20 50 DFGDHM CCSc1ccc(Cl)cc1C(=O)[N-]NC(=O)NC1CC1 ZINC000084282113 398396221 /nfs/dbraw/zinc/39/62/21/398396221.db2.gz SPCWCHVCMYLKRX-UHFFFAOYSA-N -1 3 313.810 2.558 20 50 DFGDHM CCc1nc(CNC(=O)/C(C#N)=C/c2ccc([O-])cc2)cs1 ZINC000490911122 270002487 /nfs/dbraw/zinc/00/24/87/270002487.db2.gz TXWOHERRGFMMJI-KPKJPENVSA-N -1 3 313.382 2.634 20 50 DFGDHM CC(C)OCCCN(C)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000279155973 265866767 /nfs/dbraw/zinc/86/67/67/265866767.db2.gz JVDBZBFBHDJNTM-PTNGSMBKSA-N -1 3 302.374 2.573 20 50 DFGDHM CCC(CC)N(CCOC)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000188216221 266002818 /nfs/dbraw/zinc/00/28/18/266002818.db2.gz HGLNUHHCNISFMF-QINSGFPZSA-N -1 3 316.401 2.963 20 50 DFGDHM N#CC(=Cc1ccc([O-])cc1)C(=O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000285978807 267893940 /nfs/dbraw/zinc/89/39/40/267893940.db2.gz KXFFQDZXJIXTOY-GWKQRERASA-N -1 3 322.368 2.776 20 50 DFGDHM Cc1noc2ncc(NC(=O)/C(C#N)=C\c3ccc([O-])cc3)cc12 ZINC000491050277 268099982 /nfs/dbraw/zinc/09/99/82/268099982.db2.gz PNIIXPLCKLGCDJ-SDQBBNPISA-N -1 3 320.308 2.783 20 50 DFGDHM N#CC(=Cc1ccc([O-])cc1)C(=O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000490941431 268141535 /nfs/dbraw/zinc/14/15/35/268141535.db2.gz KXFFQDZXJIXTOY-VWILAXROSA-N -1 3 322.368 2.776 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCc2ccsc2C1 ZINC000491082639 268151776 /nfs/dbraw/zinc/15/17/76/268151776.db2.gz JKLVWANICXMNCO-NTEUORMPSA-N -1 3 310.378 2.946 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCOCC1CCCC1 ZINC000491173729 268152655 /nfs/dbraw/zinc/15/26/55/268152655.db2.gz FEKAGEVNECDSMX-LFIBNONCSA-N -1 3 314.385 2.622 20 50 DFGDHM CC(C)(C)CCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824087579 607716351 /nfs/dbraw/zinc/71/63/51/607716351.db2.gz YAQCLTVHRGLYCJ-UHFFFAOYSA-N -1 3 302.382 2.526 20 50 DFGDHM CC(C)(C)CCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824087579 607716353 /nfs/dbraw/zinc/71/63/53/607716353.db2.gz YAQCLTVHRGLYCJ-UHFFFAOYSA-N -1 3 302.382 2.526 20 50 DFGDHM O=C(CCCC1CCCC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406266 607729790 /nfs/dbraw/zinc/72/97/90/607729790.db2.gz OXJXEAODEFAGTK-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM O=C(CCCC1CCCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406266 607729791 /nfs/dbraw/zinc/72/97/91/607729791.db2.gz OXJXEAODEFAGTK-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM CCC(CC)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820893965 606305178 /nfs/dbraw/zinc/30/51/78/606305178.db2.gz YXFMXKGUJJTZJE-YHYXMXQVSA-N -1 3 301.375 2.840 20 50 DFGDHM CCC(CC)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820893965 606305179 /nfs/dbraw/zinc/30/51/79/606305179.db2.gz YXFMXKGUJJTZJE-YHYXMXQVSA-N -1 3 301.375 2.840 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccccc1 ZINC000822796755 606387790 /nfs/dbraw/zinc/38/77/90/606387790.db2.gz XOVOHUASBGUQOG-FLIBITNWSA-N -1 3 307.338 2.718 20 50 DFGDHM CC1(C)CCCCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820594902 606860516 /nfs/dbraw/zinc/86/05/16/606860516.db2.gz FIQNARPRNUBRFM-UHFFFAOYSA-N -1 3 312.377 2.553 20 50 DFGDHM CC1(C)CCCCC1=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820594902 606860517 /nfs/dbraw/zinc/86/05/17/606860517.db2.gz FIQNARPRNUBRFM-UHFFFAOYSA-N -1 3 312.377 2.553 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCCCC1 ZINC000822796436 607121215 /nfs/dbraw/zinc/12/12/15/607121215.db2.gz QYGLSGGEHLZEQH-GDNBJRDFSA-N -1 3 307.357 2.923 20 50 DFGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CCCCC1 ZINC000822796436 607121217 /nfs/dbraw/zinc/12/12/17/607121217.db2.gz QYGLSGGEHLZEQH-GDNBJRDFSA-N -1 3 307.357 2.923 20 50 DFGDHM CCOc1cc(/C=C(/C#N)C(=O)Nc2ccncc2)ccc1[O-] ZINC000091539634 398534649 /nfs/dbraw/zinc/53/46/49/398534649.db2.gz LONFUQCYIWNWHN-LCYFTJDESA-N -1 3 309.325 2.732 20 50 DFGDHM CC[C@@H]1CCCC[C@H]1NC(=O)N[N-]C(=O)c1ccccc1F ZINC000079541607 399055712 /nfs/dbraw/zinc/05/57/12/399055712.db2.gz INYGHWUEFLEEDT-BXUZGUMPSA-N -1 3 307.369 2.739 20 50 DFGDHM CC1(C)CN(C(=O)/C(C#N)=C\c2ccc([O-])cc2)CC(C)(C)O1 ZINC000194891185 265957686 /nfs/dbraw/zinc/95/76/86/265957686.db2.gz OIWCFDWEOIWPEK-ZROIWOOFSA-N -1 3 314.385 2.715 20 50 DFGDHM C[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc([O-])cc2)CCS1 ZINC000194900522 267019939 /nfs/dbraw/zinc/01/99/39/267019939.db2.gz GKHINXVEBMDIMY-XTCQQWIJSA-N -1 3 302.399 2.653 20 50 DFGDHM C[C@@H]1C[C@@H](CNC(=O)/C(C#N)=C\c2ccc([O-])cc2)C[C@H](C)O1 ZINC000281543602 267078110 /nfs/dbraw/zinc/07/81/10/267078110.db2.gz JYFIZZSNPSCKIL-KUQWGGJYSA-N -1 3 314.385 2.619 20 50 DFGDHM CC[C@@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)C1CCOCC1 ZINC000491132103 267190155 /nfs/dbraw/zinc/19/01/55/267190155.db2.gz MOCFVPJRUABMBC-JBXOJTMHSA-N -1 3 314.385 2.621 20 50 DFGDHM C[C@H]1SCCN(C(=O)/C(C#N)=C\c2ccc([O-])cc2)[C@H]1C ZINC000185688653 267249161 /nfs/dbraw/zinc/24/91/61/267249161.db2.gz BUPINWZJEBYRPA-ZIYUKDECSA-N -1 3 302.399 2.652 20 50 DFGDHM CN(C)Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000491162968 267284208 /nfs/dbraw/zinc/28/42/08/267284208.db2.gz UWLBPOQJFLQNSQ-WJDWOHSUSA-N -1 3 321.380 2.999 20 50 DFGDHM CO[C@@]1(C)CCCN(C(=O)/C(C#N)=C/c2ccc([O-])cc2)CC1 ZINC000490663307 267539549 /nfs/dbraw/zinc/53/95/49/267539549.db2.gz ITMOXVNLKCOWHD-XOVFHRFOSA-N -1 3 314.385 2.717 20 50 DFGDHM CO[C@H](C)CN(C(=O)/C(C#N)=C\c1ccc([O-])cc1)C(C)C ZINC000491050112 267539987 /nfs/dbraw/zinc/53/99/87/267539987.db2.gz OSCVAPQQXMUVRC-MLJKTZRHSA-N -1 3 302.374 2.571 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000279814971 267894443 /nfs/dbraw/zinc/89/44/43/267894443.db2.gz JRDAVDQUPANORK-RRWNYDGOSA-N -1 3 324.380 2.659 20 50 DFGDHM Cc1cc([C@@H]2CCCN2C(=O)/C(C#N)=C\c2ccc([O-])cc2)on1 ZINC000490974226 268020867 /nfs/dbraw/zinc/02/08/67/268020867.db2.gz MVQKZJIALTXMJS-DNXIFWLFSA-N -1 3 323.352 2.959 20 50 DFGDHM Cc1ccncc1CN(C)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000490689503 268064689 /nfs/dbraw/zinc/06/46/89/268064689.db2.gz ATWJDBKHVWLMSJ-DHDCSXOGSA-N -1 3 307.353 2.661 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000490908869 268141879 /nfs/dbraw/zinc/14/18/79/268141879.db2.gz MABLVUTVKVIIQY-CRPZLVSXSA-N -1 3 322.368 2.776 20 50 DFGDHM N#C/C(=C/c1cccc([O-])c1)C(=O)NCc1ccc(F)cc1F ZINC000490693017 268143667 /nfs/dbraw/zinc/14/36/67/268143667.db2.gz ICJCIRBZBGKMOC-MLPAPPSSSA-N -1 3 314.291 2.894 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCC1(C(F)(F)F)CC1 ZINC000490943309 268153224 /nfs/dbraw/zinc/15/32/24/268153224.db2.gz RCPRJIJHHZJSEL-YRNVUSSQSA-N -1 3 310.275 2.758 20 50 DFGDHM CC1(C)CCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736209634 599367751 /nfs/dbraw/zinc/36/77/51/599367751.db2.gz BXDFRUFXBGLIKD-UHFFFAOYSA-N -1 3 312.377 2.553 20 50 DFGDHM CC1(C)CCC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736209634 599367753 /nfs/dbraw/zinc/36/77/53/599367753.db2.gz BXDFRUFXBGLIKD-UHFFFAOYSA-N -1 3 312.377 2.553 20 50 DFGDHM O=C(NN=C1CCC[C@H](C2CC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129121 599535321 /nfs/dbraw/zinc/53/53/21/599535321.db2.gz OQDFZRKOPVXBBQ-LBPRGKRZSA-N -1 3 324.388 2.553 20 50 DFGDHM O=C(NN=C1CCC[C@H](C2CC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129121 599535323 /nfs/dbraw/zinc/53/53/23/599535323.db2.gz OQDFZRKOPVXBBQ-LBPRGKRZSA-N -1 3 324.388 2.553 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccccc1 ZINC000822796422 607455148 /nfs/dbraw/zinc/45/51/48/607455148.db2.gz QFPHORPPTIALRT-ZSOIEALJSA-N -1 3 319.299 2.796 20 50 DFGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1ccccc1 ZINC000822796422 607455150 /nfs/dbraw/zinc/45/51/50/607455150.db2.gz QFPHORPPTIALRT-ZSOIEALJSA-N -1 3 319.299 2.796 20 50 DFGDHM C[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)CC(C)(C)C ZINC000824385134 607727882 /nfs/dbraw/zinc/72/78/82/607727882.db2.gz MNPGAAHIVNKCKI-LLVKDONJSA-N -1 3 316.409 2.772 20 50 DFGDHM C[C@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)CC(C)(C)C ZINC000824385134 607727884 /nfs/dbraw/zinc/72/78/84/607727884.db2.gz MNPGAAHIVNKCKI-LLVKDONJSA-N -1 3 316.409 2.772 20 50 DFGDHM CCC[C@H](C)C(CC)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821015551 606239749 /nfs/dbraw/zinc/23/97/49/606239749.db2.gz QHNFHAYSWDGSBJ-NSHDSACASA-N -1 3 314.393 2.799 20 50 DFGDHM CCC[C@H](C)C(CC)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821015551 606239751 /nfs/dbraw/zinc/23/97/51/606239751.db2.gz QHNFHAYSWDGSBJ-NSHDSACASA-N -1 3 314.393 2.799 20 50 DFGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821008299 606307234 /nfs/dbraw/zinc/30/72/34/606307234.db2.gz IUIYMUKDOJSVOP-QFQXNISHSA-N -1 3 301.375 2.840 20 50 DFGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821008299 606307235 /nfs/dbraw/zinc/30/72/35/606307235.db2.gz IUIYMUKDOJSVOP-QFQXNISHSA-N -1 3 301.375 2.840 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2[nH]1 ZINC000822795918 606387381 /nfs/dbraw/zinc/38/73/81/606387381.db2.gz JAIVWLTUJHBATN-CLFYSBASSA-N -1 3 319.353 2.869 20 50 DFGDHM Cc1occc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822553509 606389279 /nfs/dbraw/zinc/38/92/79/606389279.db2.gz LXVRGWMBGISSSN-TWGQIWQCSA-N -1 3 311.326 2.620 20 50 DFGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821008981 606392434 /nfs/dbraw/zinc/39/24/34/606392434.db2.gz MHCIVRPCUTVTKP-SBMLRHLQSA-N -1 3 301.375 2.840 20 50 DFGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccccc1 ZINC000826378817 607915702 /nfs/dbraw/zinc/91/57/02/607915702.db2.gz BAKXXEGSNPEXBM-JYRVWZFOSA-N -1 3 319.299 2.796 20 50 DFGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccccc1 ZINC000826378817 607915703 /nfs/dbraw/zinc/91/57/03/607915703.db2.gz BAKXXEGSNPEXBM-JYRVWZFOSA-N -1 3 319.299 2.796 20 50 DFGDHM Cc1cc(C)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826263148 608074670 /nfs/dbraw/zinc/07/46/70/608074670.db2.gz NEMFRHOYARKPTP-UHFFFAOYSA-N -1 3 322.372 2.549 20 50 DFGDHM Cc1cc(C)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826263148 608074671 /nfs/dbraw/zinc/07/46/71/608074671.db2.gz NEMFRHOYARKPTP-UHFFFAOYSA-N -1 3 322.372 2.549 20 50 DFGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825232366 608879126 /nfs/dbraw/zinc/87/91/26/608879126.db2.gz GNEHDKCMOJQEMI-BZPKPHBRSA-N -1 3 313.336 2.918 20 50 DFGDHM CCC[C@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825232366 608879129 /nfs/dbraw/zinc/87/91/29/608879129.db2.gz GNEHDKCMOJQEMI-BZPKPHBRSA-N -1 3 313.336 2.918 20 50 DFGDHM CC1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CCCCCC1 ZINC000824783330 609296837 /nfs/dbraw/zinc/29/68/37/609296837.db2.gz FPYAUALAZQTZBU-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM COc1cc(Cl)ccc1C(=O)[N-]NC(=O)C1(C)CCCC1 ZINC000073120216 398662750 /nfs/dbraw/zinc/66/27/50/398662750.db2.gz GTDIXRYDIXVIDA-UHFFFAOYSA-N -1 3 310.781 2.690 20 50 DFGDHM CCCCNC(=O)/C(C#N)=C/c1cc([O-])ccc1Br ZINC000178987115 266032043 /nfs/dbraw/zinc/03/20/43/266032043.db2.gz RTLIMFGMZUJBOS-YRNVUSSQSA-N -1 3 323.190 2.978 20 50 DFGDHM C[C@@H](c1cccnc1)N(C)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000188310199 267002815 /nfs/dbraw/zinc/00/28/15/267002815.db2.gz FXARNIBUXPWLKR-ATTDUZETSA-N -1 3 307.353 2.914 20 50 DFGDHM CCO/C=C(/C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000490700378 267101196 /nfs/dbraw/zinc/10/11/96/267101196.db2.gz VGHIIDJTQXWZJV-FPLPWBNLSA-N -1 3 316.235 2.673 20 50 DFGDHM CN(C)Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000491162967 267284423 /nfs/dbraw/zinc/28/44/23/267284423.db2.gz UWLBPOQJFLQNSQ-LFIBNONCSA-N -1 3 321.380 2.999 20 50 DFGDHM CN1CCc2ccc(NC(=O)/C(C#N)=C/c3ccc([O-])cc3)cc21 ZINC000491010397 267341600 /nfs/dbraw/zinc/34/16/00/267341600.db2.gz MJGANXFMBGUCTQ-XNTDXEJSSA-N -1 3 319.364 2.930 20 50 DFGDHM C[C@@]12CN(C(=O)/C(C#N)=C/c3ccc([O-])cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000491100841 267801442 /nfs/dbraw/zinc/80/14/42/267801442.db2.gz BVBLXXWTQUKOGQ-LOPHVHDMSA-N -1 3 320.392 2.970 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CC2(CCC2(F)F)C1 ZINC000491087799 268150294 /nfs/dbraw/zinc/15/02/94/268150294.db2.gz XVWWZWPAYVQBJO-KPKJPENVSA-N -1 3 304.296 2.557 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000490975511 268154899 /nfs/dbraw/zinc/15/48/99/268154899.db2.gz PIZBBZWPHABBQL-BXBHGGAKSA-N -1 3 319.364 2.962 20 50 DFGDHM O=C(CCCC1CCCC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406121 607352876 /nfs/dbraw/zinc/35/28/76/607352876.db2.gz JEOQQKABDGFAJV-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826291264 608802221 /nfs/dbraw/zinc/80/22/21/608802221.db2.gz XFBRPRUEMYUZKD-UHFFFAOYSA-N -1 3 323.360 2.632 20 50 DFGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826291264 608802222 /nfs/dbraw/zinc/80/22/22/608802222.db2.gz XFBRPRUEMYUZKD-UHFFFAOYSA-N -1 3 323.360 2.632 20 50 DFGDHM Cc1ccc(CCNC(=O)/C(C#N)=C\c2ccc([O-])cc2)cc1 ZINC000194638191 269917293 /nfs/dbraw/zinc/91/72/93/269917293.db2.gz WJLQIZYIBXZXPD-ATVHPVEESA-N -1 3 306.365 2.967 20 50 DFGDHM CCCCn1nccc1NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000490880420 270002529 /nfs/dbraw/zinc/00/25/29/270002529.db2.gz UWKGIOZTGKVMKS-SDNWHVSQSA-N -1 3 310.357 2.934 20 50 DFGDHM CCSCC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000185763461 266344292 /nfs/dbraw/zinc/34/42/92/266344292.db2.gz ZXQYDUGGNGOAQF-XTCQQWIJSA-N -1 3 304.415 2.947 20 50 DFGDHM CO[C@@H](CNC(=O)/C(C#N)=C\c1ccc([O-])cc1)c1ccccc1 ZINC000188252633 266746742 /nfs/dbraw/zinc/74/67/42/266746742.db2.gz ILTZESMLWAWWED-QMJOVRGKSA-N -1 3 322.364 2.803 20 50 DFGDHM CCCCN(CCOC)C(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000491132658 267005759 /nfs/dbraw/zinc/00/57/59/267005759.db2.gz NPNKHTKFNUTGCH-NTCAYCPXSA-N -1 3 302.374 2.574 20 50 DFGDHM CN(C(=O)/C(C#N)=C\c1ccc([O-])cc1)C1Cc2ccccc2C1 ZINC000490978736 267269395 /nfs/dbraw/zinc/26/93/95/267269395.db2.gz WPLTVDAUGBDPIW-YVLHZVERSA-N -1 3 318.376 2.925 20 50 DFGDHM N#C/C(=C/c1ccc(C2CCC2)cc1)S(=O)(=O)[N-]C1CC1 ZINC000295768625 267875305 /nfs/dbraw/zinc/87/53/05/267875305.db2.gz BOHNMGLXYFHUHE-YBEGLDIGSA-N -1 3 302.399 2.900 20 50 DFGDHM Cc1cc([C@H]2CCCN2C(=O)/C(C#N)=C/c2ccc([O-])cc2)on1 ZINC000490974228 268021427 /nfs/dbraw/zinc/02/14/27/268021427.db2.gz MVQKZJIALTXMJS-HFQYIWAZSA-N -1 3 323.352 2.959 20 50 DFGDHM N#CC(C#N)=CNc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737670881 598493519 /nfs/dbraw/zinc/49/35/19/598493519.db2.gz DGLPIKYIYOKSHP-UHFFFAOYSA-N -1 3 311.374 2.540 20 50 DFGDHM N#CC(C#N)=CNc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737670881 598493521 /nfs/dbraw/zinc/49/35/21/598493521.db2.gz DGLPIKYIYOKSHP-UHFFFAOYSA-N -1 3 311.374 2.540 20 50 DFGDHM O=C(NN=C1CCC[C@H](C2CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738129260 599535578 /nfs/dbraw/zinc/53/55/78/599535578.db2.gz RZSRPGOLRUKLCQ-AWEZNQCLSA-N -1 3 324.388 2.553 20 50 DFGDHM O=C(NN=C1CCC[C@H](C2CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738129260 599535580 /nfs/dbraw/zinc/53/55/80/599535580.db2.gz RZSRPGOLRUKLCQ-AWEZNQCLSA-N -1 3 324.388 2.553 20 50 DFGDHM CCCCCC(C)(C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825268823 607718754 /nfs/dbraw/zinc/71/87/54/607718754.db2.gz ZGSOYLGINCGGFB-UHFFFAOYSA-N -1 3 316.409 2.916 20 50 DFGDHM CCCCCC(C)(C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825268823 607718756 /nfs/dbraw/zinc/71/87/56/607718756.db2.gz ZGSOYLGINCGGFB-UHFFFAOYSA-N -1 3 316.409 2.916 20 50 DFGDHM C[C@H]1CCCC[C@H]1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824937936 607724082 /nfs/dbraw/zinc/72/40/82/607724082.db2.gz SBHOGBJLKOGVKW-RYUDHWBXSA-N -1 3 314.393 2.526 20 50 DFGDHM C[C@H]1CCCC[C@H]1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824937936 607724084 /nfs/dbraw/zinc/72/40/84/607724084.db2.gz SBHOGBJLKOGVKW-RYUDHWBXSA-N -1 3 314.393 2.526 20 50 DFGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821008983 606392094 /nfs/dbraw/zinc/39/20/94/606392094.db2.gz MHCIVRPCUTVTKP-YIXGCBLDSA-N -1 3 301.375 2.840 20 50 DFGDHM N#CC(=Cc1ccccc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379192 608215464 /nfs/dbraw/zinc/21/54/64/608215464.db2.gz LLURLEOTQGMVSM-RIYZIHGNSA-N -1 3 319.299 2.796 20 50 DFGDHM N#CC(=Cc1ccccc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379192 608215465 /nfs/dbraw/zinc/21/54/65/608215465.db2.gz LLURLEOTQGMVSM-RIYZIHGNSA-N -1 3 319.299 2.796 20 50 DFGDHM CC[C@H]1CCCCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825191387 609516921 /nfs/dbraw/zinc/51/69/21/609516921.db2.gz BEDZLESMTMQRLH-NSHDSACASA-N -1 3 312.377 2.553 20 50 DFGDHM CC[C@H]1CCCCC1=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825191387 609516922 /nfs/dbraw/zinc/51/69/22/609516922.db2.gz BEDZLESMTMQRLH-NSHDSACASA-N -1 3 312.377 2.553 20 50 DFGDHM CC(C)[C@H](C)SCC(=O)N[N-]C(=O)c1ccccc1Cl ZINC000079078830 399014938 /nfs/dbraw/zinc/01/49/38/399014938.db2.gz DFMHGAFIXRRHJE-JTQLQIEISA-N -1 3 314.838 2.879 20 50 DFGDHM CCOC[C@H]1CCCN(C(=O)/C(C#N)=C/c2ccc([O-])cc2)C1 ZINC000491045616 267141647 /nfs/dbraw/zinc/14/16/47/267141647.db2.gz FOLGEFCAWDPMDH-BMANGOCTSA-N -1 3 314.385 2.574 20 50 DFGDHM CCO[C@H](CCNC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(C)C ZINC000491101628 267155427 /nfs/dbraw/zinc/15/54/27/267155427.db2.gz FRZBWHXPDPXTEG-GSPCDJLXSA-N -1 3 316.401 2.867 20 50 DFGDHM CCOc1ccc(/C=C(\C#N)C(=O)[N-]C2=NC[C@H](C)S2)cc1 ZINC000491052718 267160417 /nfs/dbraw/zinc/16/04/17/267160417.db2.gz WNYMUUJVVIKKOL-ZWSXMNCCSA-N -1 3 315.398 2.600 20 50 DFGDHM CN(Cc1ccc(C#N)cc1)C(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000490878382 267311465 /nfs/dbraw/zinc/31/14/65/267311465.db2.gz OBXCYXVFQAIEQC-LICLKQGHSA-N -1 3 317.348 2.829 20 50 DFGDHM CN(OCc1ccccc1)C(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000491129225 267325876 /nfs/dbraw/zinc/32/58/76/267325876.db2.gz GGINIIIPCQQMIH-LFIBNONCSA-N -1 3 308.337 2.889 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)Nc1nnc(C(F)F)s1 ZINC000491014638 268142995 /nfs/dbraw/zinc/14/29/95/268142995.db2.gz YBRXOWPRDXPLQH-YVMONPNESA-N -1 3 322.296 2.727 20 50 DFGDHM N#C/C(=C/c1cccc([O-])c1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000490693655 268143854 /nfs/dbraw/zinc/14/38/54/268143854.db2.gz JLYHLJAEVCNFDZ-ZSOIEALJSA-N -1 3 323.308 2.524 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000490975417 268155223 /nfs/dbraw/zinc/15/52/23/268155223.db2.gz PFIRWYZRIVCVMQ-ZKTNYTPDSA-N -1 3 318.376 2.973 20 50 DFGDHM Cc1cc(C)cc(NNC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826264677 607381515 /nfs/dbraw/zinc/38/15/15/607381515.db2.gz WKPYQSFVNDTEIU-UHFFFAOYSA-N -1 3 322.372 2.549 20 50 DFGDHM Cc1cc(C)cc(NNC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826264677 607381517 /nfs/dbraw/zinc/38/15/17/607381517.db2.gz WKPYQSFVNDTEIU-UHFFFAOYSA-N -1 3 322.372 2.549 20 50 DFGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccsc1 ZINC000822795808 606305658 /nfs/dbraw/zinc/30/56/58/606305658.db2.gz HCQAKNIGOXZYKX-YCRREMRBSA-N -1 3 313.367 2.780 20 50 DFGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccsc1 ZINC000822795808 606305660 /nfs/dbraw/zinc/30/56/60/606305660.db2.gz HCQAKNIGOXZYKX-YCRREMRBSA-N -1 3 313.367 2.780 20 50 DFGDHM CC1(C)CCC[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824801720 607909072 /nfs/dbraw/zinc/90/90/72/607909072.db2.gz HBMKGCJVQSNWPU-GFCCVEGCSA-N -1 3 314.393 2.526 20 50 DFGDHM Cc1cc(C)c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826263269 608074799 /nfs/dbraw/zinc/07/47/99/608074799.db2.gz SGSUUCHVNZTSOH-UHFFFAOYSA-N -1 3 322.372 2.549 20 50 DFGDHM CC(C)CCC[C@@H](C)NC(=O)N[N-]C(=O)c1ccccc1F ZINC000042930500 398607530 /nfs/dbraw/zinc/60/75/30/398607530.db2.gz KEIXHEFXDZIRPV-GFCCVEGCSA-N -1 3 309.385 2.985 20 50 DFGDHM O=C(NCCCC1CCCC1)N[N-]C(=O)c1ccccc1F ZINC000046872899 398723111 /nfs/dbraw/zinc/72/31/11/398723111.db2.gz CGDKVNQCUOCSFN-UHFFFAOYSA-N -1 3 307.369 2.740 20 50 DFGDHM C[C@@H](c1ccccn1)N(C)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000188308152 267003089 /nfs/dbraw/zinc/00/30/89/267003089.db2.gz KLYLHHYYXRILGY-WZMONFQBSA-N -1 3 307.353 2.914 20 50 DFGDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)/C(C#N)=C\c2ccc([O-])cc2)C1 ZINC000185677363 267017605 /nfs/dbraw/zinc/01/76/05/267017605.db2.gz WEEAZLMBTBSFHV-BQBVYKKNSA-N -1 3 309.369 2.888 20 50 DFGDHM C[C@@H]1[C@H](C)SCCN1C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000185688602 267108915 /nfs/dbraw/zinc/10/89/15/267108915.db2.gz BUPINWZJEBYRPA-KMEGAEJISA-N -1 3 302.399 2.652 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCCC1CCOCC1 ZINC000490974676 268152695 /nfs/dbraw/zinc/15/26/95/268152695.db2.gz NWAOXOZNLCNRER-FOWTUZBSSA-N -1 3 314.385 2.622 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@@H]1CCC[C@H]1OC(F)F ZINC000490943448 268155392 /nfs/dbraw/zinc/15/53/92/268155392.db2.gz RTIAKJCASJQNJF-DVFZLIDBSA-N -1 3 322.311 2.576 20 50 DFGDHM C[C@@H]1CCCC[C@H]1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824937534 607348118 /nfs/dbraw/zinc/34/81/18/607348118.db2.gz PVOWRUMHPAPTRA-YPMHNXCESA-N -1 3 314.393 2.526 20 50 DFGDHM CCCCC[C@@H](C)CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825265915 607356461 /nfs/dbraw/zinc/35/64/61/607356461.db2.gz CMQUUBWASPWVPU-GFCCVEGCSA-N -1 3 316.409 2.916 20 50 DFGDHM Cc1occc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822552680 607456553 /nfs/dbraw/zinc/45/65/53/607456553.db2.gz FJPJOUWAIHYQAF-SDQBBNPISA-N -1 3 323.287 2.697 20 50 DFGDHM Cc1occc1C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822552680 607456554 /nfs/dbraw/zinc/45/65/54/607456554.db2.gz FJPJOUWAIHYQAF-SDQBBNPISA-N -1 3 323.287 2.697 20 50 DFGDHM C[C@H](CC1CCCC1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824394635 607729291 /nfs/dbraw/zinc/72/92/91/607729291.db2.gz YPBNPYKCQXJUHX-LLVKDONJSA-N -1 3 314.393 2.526 20 50 DFGDHM C[C@H](CC1CCCC1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824394635 607729294 /nfs/dbraw/zinc/72/92/94/607729294.db2.gz YPBNPYKCQXJUHX-LLVKDONJSA-N -1 3 314.393 2.526 20 50 DFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1CCCCCCC1 ZINC000826448391 607730811 /nfs/dbraw/zinc/73/08/11/607730811.db2.gz UAOVOXIMXSPFCB-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1CCCCCCC1 ZINC000826448391 607730814 /nfs/dbraw/zinc/73/08/14/607730814.db2.gz UAOVOXIMXSPFCB-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000822795425 606302132 /nfs/dbraw/zinc/30/21/32/606302132.db2.gz AGTASYKGBUUQJF-BJMVGYQFSA-N -1 3 324.325 2.901 20 50 DFGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000822795425 606302134 /nfs/dbraw/zinc/30/21/34/606302134.db2.gz AGTASYKGBUUQJF-BJMVGYQFSA-N -1 3 324.325 2.901 20 50 DFGDHM CC(C)(C)CC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000819906999 606389641 /nfs/dbraw/zinc/38/96/41/606389641.db2.gz KFTZCQFIBKIDRS-TWGQIWQCSA-N -1 3 301.375 2.840 20 50 DFGDHM Cc1csc(C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC000822408704 606394144 /nfs/dbraw/zinc/39/41/44/606394144.db2.gz 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ZINC000490911283 269939920 /nfs/dbraw/zinc/93/99/20/269939920.db2.gz UWHFETJXLGCJEN-GDNBJRDFSA-N -1 3 310.328 2.797 20 50 DFGDHM CCc1ccc(NC(=O)/C(C#N)=C/c2ccc([O-])c(CO)c2)cc1 ZINC000490880494 270002485 /nfs/dbraw/zinc/00/24/85/270002485.db2.gz VEOZPLMHNPRIFP-OQLLNIDSSA-N -1 3 322.364 2.993 20 50 DFGDHM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000366499524 267102270 /nfs/dbraw/zinc/10/22/70/267102270.db2.gz FYSLIBMTMYMXBA-BJZQEMJWSA-N -1 3 320.348 2.938 20 50 DFGDHM C[C@H](CCc1cccn1C)NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000185742029 267153246 /nfs/dbraw/zinc/15/32/46/267153246.db2.gz QCIXNVDXJSGHCZ-IZCBMXNHSA-N -1 3 323.396 2.775 20 50 DFGDHM CNc1ccc(C#N)cc1NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000490940852 267353305 /nfs/dbraw/zinc/35/33/05/267353305.db2.gz JOVLEAVCPVHQLB-RIYZIHGNSA-N -1 3 318.336 2.851 20 50 DFGDHM C[C@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)c1cccc(O)c1 ZINC000491108941 267837782 /nfs/dbraw/zinc/83/77/82/267837782.db2.gz ZAJSEKSKTIBVDU-DGGAMASNSA-N -1 3 308.337 2.882 20 50 DFGDHM Cc1nc(C)c(CNC(=O)/C(C#N)=C\c2ccc([O-])cc2)s1 ZINC000491108206 268074725 /nfs/dbraw/zinc/07/47/25/268074725.db2.gz XNVSBJDNQMQDPH-QPEQYQDCSA-N -1 3 313.382 2.689 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000490908768 268141472 /nfs/dbraw/zinc/14/14/72/268141472.db2.gz LLYODTURPMOYQK-QBOMHBFWSA-N -1 3 322.368 2.776 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000490908870 268141627 /nfs/dbraw/zinc/14/16/27/268141627.db2.gz MABLVUTVKVIIQY-DZXKJOIRSA-N -1 3 322.368 2.776 20 50 DFGDHM CC(C)CC1(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000824236830 607718105 /nfs/dbraw/zinc/71/81/05/607718105.db2.gz PKBQFXCGYIYTJZ-UHFFFAOYSA-N -1 3 314.393 2.526 20 50 DFGDHM CC(C)CC1(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000824236830 607718107 /nfs/dbraw/zinc/71/81/07/607718107.db2.gz PKBQFXCGYIYTJZ-UHFFFAOYSA-N -1 3 314.393 2.526 20 50 DFGDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=CC#N)c1ccccc1 ZINC000821612382 606183053 /nfs/dbraw/zinc/18/30/53/606183053.db2.gz SYNVRRRANQYFOB-YVLHZVERSA-N -1 3 316.368 2.863 20 50 DFGDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=CC#N)c1ccccc1 ZINC000821612382 606183054 /nfs/dbraw/zinc/18/30/54/606183054.db2.gz SYNVRRRANQYFOB-YVLHZVERSA-N -1 3 316.368 2.863 20 50 DFGDHM CCC[C@H](C)C(CC)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821015423 606239390 /nfs/dbraw/zinc/23/93/90/606239390.db2.gz PXHUQDGWNZKFCG-NSHDSACASA-N -1 3 314.393 2.799 20 50 DFGDHM CCC[C@H](C)C(CC)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821015423 606239391 /nfs/dbraw/zinc/23/93/91/606239391.db2.gz PXHUQDGWNZKFCG-NSHDSACASA-N -1 3 314.393 2.799 20 50 DFGDHM C[C@H](NC(=O)/C(C#N)=C\c1ccc([O-])c(CO)c1)c1ccccc1 ZINC000183738980 269874833 /nfs/dbraw/zinc/87/48/33/269874833.db2.gz ZJFRRAZOQHKZHN-LWLPBDFMSA-N -1 3 322.364 2.669 20 50 DFGDHM N#CC(=Cc1ccc([O-])cc1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000490973360 269941415 /nfs/dbraw/zinc/94/14/15/269941415.db2.gz LJYBKTUZYVBHCX-XFFZJAGNSA-N -1 3 321.292 2.785 20 50 DFGDHM Cc1cccc(OCCNC(=O)/C(C#N)=C/c2ccc([O-])cc2)c1 ZINC000490909495 270002358 /nfs/dbraw/zinc/00/23/58/270002358.db2.gz ODVKUJPTOKTFHC-FOWTUZBSSA-N -1 3 322.364 2.803 20 50 DFGDHM C[C@@H]1CC(CNC(=O)/C(C#N)=C/c2ccc([O-])cc2)C[C@@H](C)O1 ZINC000490876355 270002373 /nfs/dbraw/zinc/00/23/73/270002373.db2.gz JYFIZZSNPSCKIL-SUNVMROUSA-N -1 3 314.385 2.619 20 50 DFGDHM CC1(C)C[C@H](CNC(=O)/C(C#N)=C\c2ccc([O-])cc2)CCO1 ZINC000491160562 266976808 /nfs/dbraw/zinc/97/68/08/266976808.db2.gz LRWWNXMNGQCYPI-WJQTUHTMSA-N -1 3 314.385 2.621 20 50 DFGDHM CC[C@@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)C1CCOCC1 ZINC000491132101 267188175 /nfs/dbraw/zinc/18/81/75/267188175.db2.gz MOCFVPJRUABMBC-GSPCDJLXSA-N -1 3 314.385 2.621 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@H]1COc2ccccc21 ZINC000188317986 267905696 /nfs/dbraw/zinc/90/56/96/267905696.db2.gz QNBJMPGPQLOLRG-WQMJKPAKSA-N -1 3 306.321 2.549 20 50 DFGDHM Cc1cccc(CN(C)C(=O)/C(C#N)=C/c2ccc([O-])cc2)n1 ZINC000491162526 268052286 /nfs/dbraw/zinc/05/22/86/268052286.db2.gz RXTHURSCRJBQQD-XNTDXEJSSA-N -1 3 307.353 2.661 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@@H](CCO)c1ccccc1 ZINC000491109451 268153672 /nfs/dbraw/zinc/15/36/72/268153672.db2.gz ZXGVOTJNHFKVEP-QIPRVMPFSA-N -1 3 322.364 2.539 20 50 DFGDHM O=C(NN=CC1CCCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129582 599152080 /nfs/dbraw/zinc/15/20/80/599152080.db2.gz VPWPLVFQESZRFH-UHFFFAOYSA-N -1 3 312.377 2.553 20 50 DFGDHM O=C(NN=CC1CCCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129582 599152082 /nfs/dbraw/zinc/15/20/82/599152082.db2.gz VPWPLVFQESZRFH-UHFFFAOYSA-N -1 3 312.377 2.553 20 50 DFGDHM O=C(CC1CCCCCC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404100 607350594 /nfs/dbraw/zinc/35/05/94/607350594.db2.gz OJZSOPVGLLQPFG-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM O=C(CCC1CCCCC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826405356 607355334 /nfs/dbraw/zinc/35/53/34/607355334.db2.gz CMQQIUZRAADKJF-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000822795426 606302360 /nfs/dbraw/zinc/30/23/60/606302360.db2.gz AGTASYKGBUUQJF-YHYXMXQVSA-N -1 3 324.325 2.901 20 50 DFGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000822795426 606302362 /nfs/dbraw/zinc/30/23/62/606302362.db2.gz AGTASYKGBUUQJF-YHYXMXQVSA-N -1 3 324.325 2.901 20 50 DFGDHM Cc1csc(C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)n1 ZINC000822409167 606334639 /nfs/dbraw/zinc/33/46/39/606334639.db2.gz OINDQBOHRYLWSC-WAPJZHGLSA-N -1 3 300.372 2.757 20 50 DFGDHM Cc1csc(C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)n1 ZINC000822409167 606334640 /nfs/dbraw/zinc/33/46/40/606334640.db2.gz OINDQBOHRYLWSC-WAPJZHGLSA-N -1 3 300.372 2.757 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)C1CCCCC1 ZINC000822795868 607121482 /nfs/dbraw/zinc/12/14/82/607121482.db2.gz IQJORVUENPLQMU-FLIBITNWSA-N -1 3 313.386 2.985 20 50 DFGDHM N#CC(=Cc1ccsc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379071 608217180 /nfs/dbraw/zinc/21/71/80/608217180.db2.gz ILUWADMKAHNOIN-MLPAPPSSSA-N -1 3 307.338 2.718 20 50 DFGDHM N#CC(=Cc1ccsc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379071 608217181 /nfs/dbraw/zinc/21/71/81/608217181.db2.gz ILUWADMKAHNOIN-MLPAPPSSSA-N -1 3 307.338 2.718 20 50 DFGDHM N#CC(=Cc1ccsc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379070 608217214 /nfs/dbraw/zinc/21/72/14/608217214.db2.gz ILUWADMKAHNOIN-AWNIVKPZSA-N -1 3 307.338 2.718 20 50 DFGDHM N#CC(=Cc1ccsc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379070 608217215 /nfs/dbraw/zinc/21/72/15/608217215.db2.gz ILUWADMKAHNOIN-AWNIVKPZSA-N -1 3 307.338 2.718 20 50 DFGDHM CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824852286 608289355 /nfs/dbraw/zinc/28/93/55/608289355.db2.gz JMEWSYPIKUFKGQ-SWLSCSKDSA-N -1 3 324.388 2.575 20 50 DFGDHM CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824852286 608289357 /nfs/dbraw/zinc/28/93/57/608289357.db2.gz JMEWSYPIKUFKGQ-SWLSCSKDSA-N -1 3 324.388 2.575 20 50 DFGDHM Cc1cc(C)cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826264413 608802256 /nfs/dbraw/zinc/80/22/56/608802256.db2.gz NILLXSNNUHPCGB-UHFFFAOYSA-N -1 3 323.360 2.632 20 50 DFGDHM Cc1cc(C)cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826264413 608802257 /nfs/dbraw/zinc/80/22/57/608802257.db2.gz NILLXSNNUHPCGB-UHFFFAOYSA-N -1 3 323.360 2.632 20 50 DFGDHM Cc1ccc(-c2ccsc2C(=O)[N-]NC(=O)C2CC2)cc1 ZINC000015663245 398397675 /nfs/dbraw/zinc/39/76/75/398397675.db2.gz FJFQKDGBLXCWQW-UHFFFAOYSA-N -1 3 300.383 2.895 20 50 DFGDHM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000366499526 267102161 /nfs/dbraw/zinc/10/21/61/267102161.db2.gz FYSLIBMTMYMXBA-OYXJARGQSA-N -1 3 320.348 2.938 20 50 DFGDHM CC[C@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)C1CCOCC1 ZINC000491132104 267215430 /nfs/dbraw/zinc/21/54/30/267215430.db2.gz MOCFVPJRUABMBC-JMPLCFMRSA-N -1 3 314.385 2.621 20 50 DFGDHM Cc1cc([C@H]2CCCN2C(=O)/C(C#N)=C\c2ccc([O-])cc2)no1 ZINC000365503145 267363496 /nfs/dbraw/zinc/36/34/96/267363496.db2.gz DOVFYAHHQRXIIV-OOXMNIKJSA-N -1 3 323.352 2.959 20 50 DFGDHM Cc1cccc(CN(C)C(=O)/C(C#N)=C\c2ccc([O-])cc2)n1 ZINC000491162525 268052236 /nfs/dbraw/zinc/05/22/36/268052236.db2.gz RXTHURSCRJBQQD-GDNBJRDFSA-N -1 3 307.353 2.661 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)N(Cc1cccnc1)C1CC1 ZINC000490909968 268140599 /nfs/dbraw/zinc/14/05/99/268140599.db2.gz PGYDZHJHUIDTTR-YBEGLDIGSA-N -1 3 319.364 2.885 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCC1Cc2ccccc2C1 ZINC000491158544 268153169 /nfs/dbraw/zinc/15/31/69/268153169.db2.gz FRFSIVYXGLFENE-GIJQJNRQSA-N -1 3 318.376 2.830 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NC[C@H]1CCCC1(F)F ZINC000491082857 268153433 /nfs/dbraw/zinc/15/34/33/268153433.db2.gz KGXPBAPKOMTNRZ-YQCJOKCJSA-N -1 3 306.312 2.851 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@H]1COc2ccc(F)cc21 ZINC000491010741 268154494 /nfs/dbraw/zinc/15/44/94/268154494.db2.gz MWYGZUHQAPCSAP-MZTACXPWSA-N -1 3 324.311 2.688 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000490943519 268155577 /nfs/dbraw/zinc/15/55/77/268155577.db2.gz RXZCFPASXTUFNZ-VGOFMYFVSA-N -1 3 320.352 2.680 20 50 DFGDHM N#C/C(=C\c1cccc([O-])c1)C(=O)NCc1ccc(F)c(F)c1 ZINC000490664942 268155901 /nfs/dbraw/zinc/15/59/01/268155901.db2.gz WJDZXFVMDAQLPF-AWNIVKPZSA-N -1 3 314.291 2.894 20 50 DFGDHM CC[C@H]1CCCC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736394814 599192887 /nfs/dbraw/zinc/19/28/87/599192887.db2.gz GETVCWMSFSETHT-NSHDSACASA-N -1 3 312.377 2.553 20 50 DFGDHM CC[C@H]1CCCC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736394814 599192889 /nfs/dbraw/zinc/19/28/89/599192889.db2.gz GETVCWMSFSETHT-NSHDSACASA-N -1 3 312.377 2.553 20 50 DFGDHM CC(C)(C)CCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824087287 607342418 /nfs/dbraw/zinc/34/24/18/607342418.db2.gz SKTADCFNGVQMES-UHFFFAOYSA-N -1 3 302.382 2.526 20 50 DFGDHM C[C@@H]1CCCC[C@@H]1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824937532 607348037 /nfs/dbraw/zinc/34/80/37/607348037.db2.gz PVOWRUMHPAPTRA-DGCLKSJQSA-N -1 3 314.393 2.526 20 50 DFGDHM C[C@H]1CCCC[C@@H]1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824937533 607347799 /nfs/dbraw/zinc/34/77/99/607347799.db2.gz PVOWRUMHPAPTRA-WCQYABFASA-N -1 3 314.393 2.526 20 50 DFGDHM CCCCCC[C@@H](C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825272183 607713825 /nfs/dbraw/zinc/71/38/25/607713825.db2.gz YIKOFQDTBUMRRC-GFCCVEGCSA-N -1 3 316.409 2.916 20 50 DFGDHM CCCCCC[C@@H](C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825272183 607713826 /nfs/dbraw/zinc/71/38/26/607713826.db2.gz YIKOFQDTBUMRRC-GFCCVEGCSA-N -1 3 316.409 2.916 20 50 DFGDHM CC[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825039365 607724113 /nfs/dbraw/zinc/72/41/13/607724113.db2.gz QGGFWKAMYWTKPB-OAHLLOKOSA-N -1 3 322.372 2.504 20 50 DFGDHM CC[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825039365 607724114 /nfs/dbraw/zinc/72/41/14/607724114.db2.gz QGGFWKAMYWTKPB-OAHLLOKOSA-N -1 3 322.372 2.504 20 50 DFGDHM CC(CCCC(C)C)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820241180 606988756 /nfs/dbraw/zinc/98/87/56/606988756.db2.gz GGUAGRRUXSYGGJ-UHFFFAOYSA-N -1 3 314.393 2.799 20 50 DFGDHM CC(CCCC(C)C)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820241180 606988758 /nfs/dbraw/zinc/98/87/58/606988758.db2.gz GGUAGRRUXSYGGJ-UHFFFAOYSA-N -1 3 314.393 2.799 20 50 DFGDHM CCCC(CCC)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825242439 607807109 /nfs/dbraw/zinc/80/71/09/607807109.db2.gz RCWBLLNWYHBUBA-UHFFFAOYSA-N -1 3 302.382 2.526 20 50 DFGDHM CCCC(CCC)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825242439 607807110 /nfs/dbraw/zinc/80/71/10/607807110.db2.gz RCWBLLNWYHBUBA-UHFFFAOYSA-N -1 3 302.382 2.526 20 50 DFGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000826379407 607883597 /nfs/dbraw/zinc/88/35/97/607883597.db2.gz QUUMFKMJQNZIJK-FMIVXFBMSA-N -1 3 313.324 2.807 20 50 DFGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000826379407 607883598 /nfs/dbraw/zinc/88/35/98/607883598.db2.gz QUUMFKMJQNZIJK-FMIVXFBMSA-N -1 3 313.324 2.807 20 50 DFGDHM N#CC(=Cc1ccc(F)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378824 608215249 /nfs/dbraw/zinc/21/52/49/608215249.db2.gz BERPQZFHZSMEMV-ZSOIEALJSA-N -1 3 319.299 2.796 20 50 DFGDHM N#CC(=Cc1ccc(F)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378824 608215252 /nfs/dbraw/zinc/21/52/52/608215252.db2.gz BERPQZFHZSMEMV-ZSOIEALJSA-N -1 3 319.299 2.796 20 50 DFGDHM CC1=CCC[C@H](C)[C@H]1C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824852287 608288965 /nfs/dbraw/zinc/28/89/65/608288965.db2.gz JMEWSYPIKUFKGQ-WFASDCNBSA-N -1 3 324.388 2.575 20 50 DFGDHM CC1=CCC[C@H](C)[C@H]1C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824852287 608288967 /nfs/dbraw/zinc/28/89/67/608288967.db2.gz JMEWSYPIKUFKGQ-WFASDCNBSA-N -1 3 324.388 2.575 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)NC1Cc2ccccc2C1 ZINC000491052662 269939664 /nfs/dbraw/zinc/93/96/64/269939664.db2.gz WDTSNGYDRUPBMN-SXGWCWSVSA-N -1 3 304.349 2.583 20 50 DFGDHM CCO[C@H](CCNC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(C)C ZINC000194716960 266300648 /nfs/dbraw/zinc/30/06/48/266300648.db2.gz FRZBWHXPDPXTEG-JBXOJTMHSA-N -1 3 316.401 2.867 20 50 DFGDHM C[C@H](CC(=O)c1ccco1)NC(=O)C(C#N)=Cc1ccc([O-])cc1 ZINC000185840809 267148037 /nfs/dbraw/zinc/14/80/37/267148037.db2.gz BJLQGONLHYHSMF-XTCQQWIJSA-N -1 3 324.336 2.670 20 50 DFGDHM CCOc1ccc(NNC(=O)/C(C#N)=C/c2ccc([O-])cc2)cc1 ZINC000491174669 267170628 /nfs/dbraw/zinc/17/06/28/267170628.db2.gz IJCMJCBJSGBQCQ-SDNWHVSQSA-N -1 3 323.352 2.841 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCc1cccc(F)c1 ZINC000188077700 267901490 /nfs/dbraw/zinc/90/14/90/267901490.db2.gz UWHFETJXLGCJEN-XNTDXEJSSA-N -1 3 310.328 2.797 20 50 DFGDHM N#C/C(=C\c1cccc([O-])c1)C(=O)N(CC(F)(F)F)C1CC1 ZINC000171982641 267909144 /nfs/dbraw/zinc/90/91/44/267909144.db2.gz GDEKZQCOFXQSNA-IZZDOVSWSA-N -1 3 310.275 2.852 20 50 DFGDHM Cc1ccc(OCCNC(=O)/C(C#N)=C/c2ccc([O-])cc2)cc1 ZINC000491103293 268041909 /nfs/dbraw/zinc/04/19/09/268041909.db2.gz KTGGTSCKBBJGNG-FOWTUZBSSA-N -1 3 322.364 2.803 20 50 DFGDHM Cc1ccncc1CN(C)C(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000490689523 268065297 /nfs/dbraw/zinc/06/52/97/268065297.db2.gz ATWJDBKHVWLMSJ-OQLLNIDSSA-N -1 3 307.353 2.661 20 50 DFGDHM Cc1nc(C)c(CNC(=O)/C(C#N)=C/c2ccc([O-])cc2)s1 ZINC000491108205 268074883 /nfs/dbraw/zinc/07/48/83/268074883.db2.gz XNVSBJDNQMQDPH-NTUHNPAUSA-N -1 3 313.382 2.689 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000491045696 268154762 /nfs/dbraw/zinc/15/47/62/268154762.db2.gz FRGUEPJLRWNBRZ-RKCSUWQLSA-N -1 3 321.311 2.819 20 50 DFGDHM C[C@H]1CCCC[C@H]1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824937530 607347819 /nfs/dbraw/zinc/34/78/19/607347819.db2.gz PVOWRUMHPAPTRA-AAEUAGOBSA-N -1 3 314.393 2.526 20 50 DFGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821007668 607459537 /nfs/dbraw/zinc/45/95/37/607459537.db2.gz CDNYQBHGDOGXIG-QVASGMJFSA-N -1 3 313.336 2.918 20 50 DFGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821007668 607459538 /nfs/dbraw/zinc/45/95/38/607459538.db2.gz CDNYQBHGDOGXIG-QVASGMJFSA-N -1 3 313.336 2.918 20 50 DFGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccccc1 ZINC000822796697 606302920 /nfs/dbraw/zinc/30/29/20/606302920.db2.gz WFWGEXJAJRPFOT-WDZFZDKYSA-N -1 3 307.338 2.718 20 50 DFGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccccc1 ZINC000822796697 606302922 /nfs/dbraw/zinc/30/29/22/606302922.db2.gz WFWGEXJAJRPFOT-WDZFZDKYSA-N -1 3 307.338 2.718 20 50 DFGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821008301 606306848 /nfs/dbraw/zinc/30/68/48/606306848.db2.gz IUIYMUKDOJSVOP-RAJVOEEQSA-N -1 3 301.375 2.840 20 50 DFGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821008301 606306851 /nfs/dbraw/zinc/30/68/51/606306851.db2.gz IUIYMUKDOJSVOP-RAJVOEEQSA-N -1 3 301.375 2.840 20 50 DFGDHM CC(C)=CCCC(C)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820005871 606433401 /nfs/dbraw/zinc/43/34/01/606433401.db2.gz YKEIGYMNCZDXGF-UHFFFAOYSA-N -1 3 312.377 2.719 20 50 DFGDHM CC(C)=CCCC(C)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820005871 606433402 /nfs/dbraw/zinc/43/34/02/606433402.db2.gz YKEIGYMNCZDXGF-UHFFFAOYSA-N -1 3 312.377 2.719 20 50 DFGDHM Cc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826306633 608216314 /nfs/dbraw/zinc/21/63/14/608216314.db2.gz GKLGJSXDUNRANA-CXUHLZMHSA-N -1 3 315.336 2.965 20 50 DFGDHM Cc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826306633 608216316 /nfs/dbraw/zinc/21/63/16/608216316.db2.gz GKLGJSXDUNRANA-CXUHLZMHSA-N -1 3 315.336 2.965 20 50 DFGDHM Cc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826297450 608216432 /nfs/dbraw/zinc/21/64/32/608216432.db2.gz IADKTUWKWOZMCF-SXGWCWSVSA-N -1 3 315.336 2.965 20 50 DFGDHM Cc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826297450 608216434 /nfs/dbraw/zinc/21/64/34/608216434.db2.gz IADKTUWKWOZMCF-SXGWCWSVSA-N -1 3 315.336 2.965 20 50 DFGDHM Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826286228 608216772 /nfs/dbraw/zinc/21/67/72/608216772.db2.gz WBKRFIQYGPAHPW-SXGWCWSVSA-N -1 3 315.336 2.965 20 50 DFGDHM Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826286228 608216773 /nfs/dbraw/zinc/21/67/73/608216773.db2.gz WBKRFIQYGPAHPW-SXGWCWSVSA-N -1 3 315.336 2.965 20 50 DFGDHM N#CC(=Cc1cccs1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379077 608217277 /nfs/dbraw/zinc/21/72/77/608217277.db2.gz IOJKGXYYAGTNKZ-WQLSENKSSA-N -1 3 307.338 2.718 20 50 DFGDHM N#CC(=Cc1cccs1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379077 608217279 /nfs/dbraw/zinc/21/72/79/608217279.db2.gz IOJKGXYYAGTNKZ-WQLSENKSSA-N -1 3 307.338 2.718 20 50 DFGDHM CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824853047 608289940 /nfs/dbraw/zinc/28/99/40/608289940.db2.gz VTOSFZMBSNIPNN-SWLSCSKDSA-N -1 3 324.388 2.575 20 50 DFGDHM CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824853047 608289942 /nfs/dbraw/zinc/28/99/42/608289942.db2.gz VTOSFZMBSNIPNN-SWLSCSKDSA-N -1 3 324.388 2.575 20 50 DFGDHM Cc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826299496 608802159 /nfs/dbraw/zinc/80/21/59/608802159.db2.gz HQACLPRRUBANOO-UHFFFAOYSA-N -1 3 323.360 2.632 20 50 DFGDHM Cc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826299496 608802160 /nfs/dbraw/zinc/80/21/60/608802160.db2.gz HQACLPRRUBANOO-UHFFFAOYSA-N -1 3 323.360 2.632 20 50 DFGDHM COC1CCC(CNC(=O)/C(C#N)=C/c2ccc([O-])cc2)CC1 ZINC000491174502 269721280 /nfs/dbraw/zinc/72/12/80/269721280.db2.gz HPQIXXGAJSABAO-XNTDXEJSSA-N -1 3 314.385 2.621 20 50 DFGDHM COc1cnccc1[C@H](C)NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000491133713 269799169 /nfs/dbraw/zinc/79/91/69/269799169.db2.gz PVAJDBBFBOLTBV-IGVUGNCQSA-N -1 3 323.352 2.580 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)NCC1(C(F)(F)F)CC1 ZINC000490943308 269939686 /nfs/dbraw/zinc/93/96/86/269939686.db2.gz RCPRJIJHHZJSEL-XFFZJAGNSA-N -1 3 310.275 2.758 20 50 DFGDHM COc1ncc(C)cc1NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000490910698 270002375 /nfs/dbraw/zinc/00/23/75/270002375.db2.gz RQQQLFYWRHXDMN-MDWZMJQESA-N -1 3 309.325 2.650 20 50 DFGDHM CCC(CC)(CNC(=O)/C(C#N)=C\c1ccc([O-])cc1)OC ZINC000294734725 266000941 /nfs/dbraw/zinc/00/09/41/266000941.db2.gz UMEQTONINYKLLP-UVTDQMKNSA-N -1 3 302.374 2.621 20 50 DFGDHM CCOc1cc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)ccc1[O-] ZINC000281251431 266306183 /nfs/dbraw/zinc/30/61/83/266306183.db2.gz VXZBDWNLHFBSHG-SJWLEHQBSA-N -1 3 301.342 2.694 20 50 DFGDHM C[C@@H]1C[C@H](CCNC(=O)/C(C#N)=C\c2ccc([O-])cc2)CCO1 ZINC000280162907 267087919 /nfs/dbraw/zinc/08/79/19/267087919.db2.gz IFTMINAXLZJCKU-KIWKMNIMSA-N -1 3 314.385 2.621 20 50 DFGDHM CC[C@@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)c1ccncc1 ZINC000491005088 267187835 /nfs/dbraw/zinc/18/78/35/267187835.db2.gz AERZEGZARDAODY-GSPCDJLXSA-N -1 3 307.353 2.962 20 50 DFGDHM C[C@H]1Oc2ccccc2[C@H]1NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000366499527 267249171 /nfs/dbraw/zinc/24/91/71/267249171.db2.gz FYSLIBMTMYMXBA-WSMTZQLESA-N -1 3 320.348 2.938 20 50 DFGDHM CN(C)c1ccccc1CNC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000491163229 267294301 /nfs/dbraw/zinc/29/43/01/267294301.db2.gz VSAMMBMBCUSZLM-WJDWOHSUSA-N -1 3 321.380 2.682 20 50 DFGDHM CN(Cc1cccc(O)c1)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000491047114 267319852 /nfs/dbraw/zinc/31/98/52/267319852.db2.gz IESVOAAMVTYEGK-DHDCSXOGSA-N -1 3 308.337 2.663 20 50 DFGDHM CN1CCN(C(=O)/C(C#N)=C\c2ccc([O-])cc2)c2ccccc21 ZINC000491083198 267337973 /nfs/dbraw/zinc/33/79/73/267337973.db2.gz KVNCNUHYQDHUME-QINSGFPZSA-N -1 3 319.364 2.782 20 50 DFGDHM N#CC(=Cc1ccc([O-])cc1)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000188131417 267904452 /nfs/dbraw/zinc/90/44/52/267904452.db2.gz SSLXWGFRHPZAML-KPKJPENVSA-N -1 3 304.309 2.814 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CC2(CCC2(F)F)C1 ZINC000491087795 268140294 /nfs/dbraw/zinc/14/02/94/268140294.db2.gz XVWWZWPAYVQBJO-GHXNOFRVSA-N -1 3 304.296 2.557 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCC1CC(F)(F)C1 ZINC000491158152 268152432 /nfs/dbraw/zinc/15/24/32/268152432.db2.gz CVWFUCJVAHAOLB-NTUHNPAUSA-N -1 3 306.312 2.851 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NNc1cccc(F)c1F ZINC000491009840 268153722 /nfs/dbraw/zinc/15/37/22/268153722.db2.gz KWDWNSALONNOIQ-DHZHZOJOSA-N -1 3 315.279 2.721 20 50 DFGDHM CCCCC[C@@H](C)CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825268609 607337214 /nfs/dbraw/zinc/33/72/14/607337214.db2.gz WDNPTBMJFMNBKT-GFCCVEGCSA-N -1 3 316.409 2.916 20 50 DFGDHM CCCCC[C@@H](C)CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825268609 607337216 /nfs/dbraw/zinc/33/72/16/607337216.db2.gz WDNPTBMJFMNBKT-GFCCVEGCSA-N -1 3 316.409 2.916 20 50 DFGDHM C[C@@H](CC1CCCC1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824391396 607350983 /nfs/dbraw/zinc/35/09/83/607350983.db2.gz HZKTUJFGHBYHKE-NSHDSACASA-N -1 3 314.393 2.526 20 50 DFGDHM CC1(C)CCC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736211692 599367940 /nfs/dbraw/zinc/36/79/40/599367940.db2.gz RNXWDSMCCTVQCO-UHFFFAOYSA-N -1 3 312.377 2.553 20 50 DFGDHM CC1(C)CCC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736211692 599367943 /nfs/dbraw/zinc/36/79/43/599367943.db2.gz RNXWDSMCCTVQCO-UHFFFAOYSA-N -1 3 312.377 2.553 20 50 DFGDHM Cc1csc(C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000822409684 607456475 /nfs/dbraw/zinc/45/64/75/607456475.db2.gz ULDMYBPKPAKNDU-NYYWCZLTSA-N -1 3 312.333 2.835 20 50 DFGDHM Cc1csc(C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822409684 607456477 /nfs/dbraw/zinc/45/64/77/607456477.db2.gz ULDMYBPKPAKNDU-NYYWCZLTSA-N -1 3 312.333 2.835 20 50 DFGDHM CC(C)=CCCC(C)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820005137 606433836 /nfs/dbraw/zinc/43/38/36/606433836.db2.gz KCXAXJXVFUVCPX-UHFFFAOYSA-N -1 3 312.377 2.719 20 50 DFGDHM CC(C)=CCCC(C)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820005137 606433837 /nfs/dbraw/zinc/43/38/37/606433837.db2.gz KCXAXJXVFUVCPX-UHFFFAOYSA-N -1 3 312.377 2.719 20 50 DFGDHM CC(CCCC(C)C)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820240550 606989012 /nfs/dbraw/zinc/98/90/12/606989012.db2.gz CLEDUGAYZXNUBF-UHFFFAOYSA-N -1 3 314.393 2.799 20 50 DFGDHM CC(CCCC(C)C)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820240550 606989013 /nfs/dbraw/zinc/98/90/13/606989013.db2.gz CLEDUGAYZXNUBF-UHFFFAOYSA-N -1 3 314.393 2.799 20 50 DFGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)C1CCCCC1 ZINC000822796258 607121013 /nfs/dbraw/zinc/12/10/13/607121013.db2.gz NTQJHPBGBCHTKG-WDZFZDKYSA-N -1 3 313.386 2.985 20 50 DFGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)C1CCCCC1 ZINC000822796258 607121012 /nfs/dbraw/zinc/12/10/12/607121012.db2.gz NTQJHPBGBCHTKG-WDZFZDKYSA-N -1 3 313.386 2.985 20 50 DFGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCCCC1 ZINC000822796117 607121164 /nfs/dbraw/zinc/12/11/64/607121164.db2.gz MFKOTTLYAOUGEA-GDNBJRDFSA-N -1 3 307.357 2.923 20 50 DFGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCCCC1 ZINC000822796117 607121166 /nfs/dbraw/zinc/12/11/66/607121166.db2.gz MFKOTTLYAOUGEA-GDNBJRDFSA-N -1 3 307.357 2.923 20 50 DFGDHM COc1ccc(C=C(C#N)C(=O)C2CCCC2)cc1-c1nnn[n-]1 ZINC000826191092 609371281 /nfs/dbraw/zinc/37/12/81/609371281.db2.gz WSMCZNDIDXAEHD-MDWZMJQESA-N -1 3 323.356 2.542 20 50 DFGDHM COc1ccc(C=C(C#N)C(=O)C2CCCC2)cc1-c1nn[n-]n1 ZINC000826191092 609371285 /nfs/dbraw/zinc/37/12/85/609371285.db2.gz WSMCZNDIDXAEHD-MDWZMJQESA-N -1 3 323.356 2.542 20 50 DFGDHM C[C@@H]1CC(CNC(=O)/C(C#N)=C/c2ccc([O-])cc2)C[C@H](C)O1 ZINC000490876337 270002456 /nfs/dbraw/zinc/00/24/56/270002456.db2.gz JYFIZZSNPSCKIL-AEZAARRXSA-N -1 3 314.385 2.619 20 50 DFGDHM CCCn1c(C)cc(/C=C(\C#N)C(=O)[N-]C2=NCCS2)c1C ZINC000490610873 270002532 /nfs/dbraw/zinc/00/25/32/270002532.db2.gz NNXHERJLRGESTP-NTEUORMPSA-N -1 3 316.430 2.641 20 50 DFGDHM C[C@@H]1CCC[C@](C#N)(NC(=O)/C(C#N)=C\c2ccc([O-])cc2)C1 ZINC000185677397 267018686 /nfs/dbraw/zinc/01/86/86/267018686.db2.gz WEEAZLMBTBSFHV-SIWIHRPGSA-N -1 3 309.369 2.888 20 50 DFGDHM CCCn1c(C)cc(/C=C(/C#N)C(=O)[N-]C2=NCCS2)c1C ZINC000490610875 267045153 /nfs/dbraw/zinc/04/51/53/267045153.db2.gz NNXHERJLRGESTP-ZROIWOOFSA-N -1 3 316.430 2.641 20 50 DFGDHM C[C@@]1(CNC(=O)/C(C#N)=C\c2ccc([O-])cc2)CCCS1 ZINC000194744722 267115863 /nfs/dbraw/zinc/11/58/63/267115863.db2.gz GODYGNOWXUZJOA-OVHOFWQVSA-N -1 3 302.399 2.701 20 50 DFGDHM CCO[C@@H](CCNC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(C)C ZINC000491101629 267145334 /nfs/dbraw/zinc/14/53/34/267145334.db2.gz FRZBWHXPDPXTEG-JMPLCFMRSA-N -1 3 316.401 2.867 20 50 DFGDHM CCO[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000491050677 267146487 /nfs/dbraw/zinc/14/64/87/267146487.db2.gz QELZYASQHPJAIH-OMCKNOPTSA-N -1 3 314.385 2.763 20 50 DFGDHM CO[C@]1(C)C[C@@H](NC(=O)/C(C#N)=C/c2ccc([O-])cc2)C1(C)C ZINC000490907917 267554262 /nfs/dbraw/zinc/55/42/62/267554262.db2.gz IRPWLAOPOUTXOF-OTMSEOJESA-N -1 3 314.385 2.619 20 50 DFGDHM N#Cc1ccc(Cl)c(C(=O)[N-]NC(=O)CC2CCCC2)c1 ZINC000287530319 268096545 /nfs/dbraw/zinc/09/65/45/268096545.db2.gz VXNMRJFSIPKPES-UHFFFAOYSA-N -1 3 305.765 2.553 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)N(Cc1ccncc1)C1CC1 ZINC000490906258 268140684 /nfs/dbraw/zinc/14/06/84/268140684.db2.gz BYSWXXDYZGGYJN-WJDWOHSUSA-N -1 3 319.364 2.885 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000490908769 268141505 /nfs/dbraw/zinc/14/15/05/268141505.db2.gz LLYODTURPMOYQK-SYCZXOQXSA-N -1 3 322.368 2.776 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCC1CCSCC1 ZINC000490976555 268153140 /nfs/dbraw/zinc/15/31/40/268153140.db2.gz RBYVTGKBVPYFNI-NTEUORMPSA-N -1 3 302.399 2.559 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000490975414 268154631 /nfs/dbraw/zinc/15/46/31/268154631.db2.gz PFIRWYZRIVCVMQ-RLGUWMIQSA-N -1 3 318.376 2.973 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@H]1CCc2c1cccc2O ZINC000491087335 268155387 /nfs/dbraw/zinc/15/53/87/268155387.db2.gz WYCSQJUDAZHDMI-RTGRKSDTSA-N -1 3 320.348 2.808 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1cccc(CCCO)c1 ZINC000490975029 268155786 /nfs/dbraw/zinc/15/57/86/268155786.db2.gz OKMVHQXTFYQDAD-LFIBNONCSA-N -1 3 322.364 2.863 20 50 DFGDHM CCCCOc1ccc(/C=C(\C#N)S(=O)(=O)[N-]C2CC2)cc1 ZINC000188031640 269646840 /nfs/dbraw/zinc/64/68/40/269646840.db2.gz UTZQULNCFIVCEX-LFIBNONCSA-N -1 3 320.414 2.812 20 50 DFGDHM CC[C@H]1CCCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736398006 599192640 /nfs/dbraw/zinc/19/26/40/599192640.db2.gz XOTCJSYGSJREMB-NSHDSACASA-N -1 3 312.377 2.553 20 50 DFGDHM CC[C@H]1CCCC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736398006 599192642 /nfs/dbraw/zinc/19/26/42/599192642.db2.gz 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/nfs/dbraw/zinc/45/77/82/607457782.db2.gz NQWAFANAPRDQCN-WUXMJOGZSA-N -1 3 313.336 2.918 20 50 DFGDHM CC(C)(C)CC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819907369 607457799 /nfs/dbraw/zinc/45/77/99/607457799.db2.gz NQWAFANAPRDQCN-SDQBBNPISA-N -1 3 313.336 2.918 20 50 DFGDHM CC(C)(C)CC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819907369 607457800 /nfs/dbraw/zinc/45/78/00/607457800.db2.gz NQWAFANAPRDQCN-SDQBBNPISA-N -1 3 313.336 2.918 20 50 DFGDHM C[C@H]1CCC[C@H](CC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824924987 607713615 /nfs/dbraw/zinc/71/36/15/607713615.db2.gz ADHWUIYSQVAPBV-RYUDHWBXSA-N -1 3 314.393 2.526 20 50 DFGDHM C[C@H]1CCC[C@H](CC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824924987 607713617 /nfs/dbraw/zinc/71/36/17/607713617.db2.gz ADHWUIYSQVAPBV-RYUDHWBXSA-N -1 3 314.393 2.526 20 50 DFGDHM Cc1occc1C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822552958 606303945 /nfs/dbraw/zinc/30/39/45/606303945.db2.gz GSNUJTNHZLMEJV-RUDMXATFSA-N -1 3 311.326 2.620 20 50 DFGDHM Cc1occc1C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822552958 606303947 /nfs/dbraw/zinc/30/39/47/606303947.db2.gz GSNUJTNHZLMEJV-RUDMXATFSA-N -1 3 311.326 2.620 20 50 DFGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)C1CCCCC1 ZINC000822796257 607121423 /nfs/dbraw/zinc/12/14/23/607121423.db2.gz NTQJHPBGBCHTKG-IZZDOVSWSA-N -1 3 313.386 2.985 20 50 DFGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)C1CCCCC1 ZINC000822796257 607121425 /nfs/dbraw/zinc/12/14/25/607121425.db2.gz NTQJHPBGBCHTKG-IZZDOVSWSA-N -1 3 313.386 2.985 20 50 DFGDHM CC1=CCC[C@@H](C)[C@@H]1C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824852285 608289095 /nfs/dbraw/zinc/28/90/95/608289095.db2.gz JMEWSYPIKUFKGQ-IUODEOHRSA-N -1 3 324.388 2.575 20 50 DFGDHM CC1=CCC[C@@H](C)[C@@H]1C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824852285 608289097 /nfs/dbraw/zinc/28/90/97/608289097.db2.gz JMEWSYPIKUFKGQ-IUODEOHRSA-N -1 3 324.388 2.575 20 50 DFGDHM COc1ccc(CCNC(=O)/C(C#N)=C/c2cccc([O-])c2)cc1 ZINC000028624050 264001874 /nfs/dbraw/zinc/00/18/74/264001874.db2.gz YGJHLOZDWJPGNK-LFIBNONCSA-N -1 3 322.364 2.667 20 50 DFGDHM CC(C)c1ncc(NC(=O)/C(C#N)=C/c2ccc([O-])cc2)cn1 ZINC000490701346 270002412 /nfs/dbraw/zinc/00/24/12/270002412.db2.gz WQWMPWRZBZKNRD-NTUHNPAUSA-N -1 3 308.341 2.851 20 50 DFGDHM CC[C@H](CSC)N(C)C(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000491134052 267214305 /nfs/dbraw/zinc/21/43/05/267214305.db2.gz QTLORBPEVRHHIV-KADHNRKRSA-N -1 3 304.415 2.899 20 50 DFGDHM CN(C)c1cccc(CNC(=O)/C(C#N)=C\c2ccc([O-])cc2)c1 ZINC000491102092 267293508 /nfs/dbraw/zinc/29/35/08/267293508.db2.gz GUQOSTYZOZZTEM-YBEGLDIGSA-N -1 3 321.380 2.682 20 50 DFGDHM CN(C)c1ccccc1CNC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000491163228 267294385 /nfs/dbraw/zinc/29/43/85/267294385.db2.gz VSAMMBMBCUSZLM-LFIBNONCSA-N -1 3 321.380 2.682 20 50 DFGDHM C[C@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)[C@@H](O)c1ccccc1 ZINC000490970476 267837749 /nfs/dbraw/zinc/83/77/49/267837749.db2.gz HCQGLQFTRTWFCL-ROSRMXPWSA-N -1 3 322.364 2.537 20 50 DFGDHM Cc1cc([C@H]2CCCN2C(=O)/C(C#N)=C\c2ccc([O-])cc2)on1 ZINC000490974229 268021897 /nfs/dbraw/zinc/02/18/97/268021897.db2.gz MVQKZJIALTXMJS-SCOADAFUSA-N -1 3 323.352 2.959 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCC(C(F)F)CC1 ZINC000491102045 268150470 /nfs/dbraw/zinc/15/04/70/268150470.db2.gz GQLFVCOXUMMHTH-UKTHLTGXSA-N -1 3 306.312 2.803 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1cccc2c1CCO2 ZINC000490690914 268155896 /nfs/dbraw/zinc/15/58/96/268155896.db2.gz DUEWXJRQVPQCJW-JLHYYAGUSA-N -1 3 306.321 2.873 20 50 DFGDHM CC[C@@H]1CCCC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736394812 599192401 /nfs/dbraw/zinc/19/24/01/599192401.db2.gz GETVCWMSFSETHT-LLVKDONJSA-N -1 3 312.377 2.553 20 50 DFGDHM CC[C@@H]1CCCC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736394812 599192404 /nfs/dbraw/zinc/19/24/04/599192404.db2.gz GETVCWMSFSETHT-LLVKDONJSA-N -1 3 312.377 2.553 20 50 DFGDHM CCCCCCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825271801 607335765 /nfs/dbraw/zinc/33/57/65/607335765.db2.gz OKNPFQRLYDXSAT-UHFFFAOYSA-N -1 3 302.382 2.670 20 50 DFGDHM CCCCCCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825271801 607335767 /nfs/dbraw/zinc/33/57/67/607335767.db2.gz OKNPFQRLYDXSAT-UHFFFAOYSA-N -1 3 302.382 2.670 20 50 DFGDHM CC(C)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824347481 607343820 /nfs/dbraw/zinc/34/38/20/607343820.db2.gz BFEXXFQRPBJXFX-UHFFFAOYSA-N -1 3 322.372 2.747 20 50 DFGDHM CCCCCC[C@H](C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825272184 607713422 /nfs/dbraw/zinc/71/34/22/607713422.db2.gz YIKOFQDTBUMRRC-LBPRGKRZSA-N -1 3 316.409 2.916 20 50 DFGDHM CCCCCC[C@H](C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825272184 607713423 /nfs/dbraw/zinc/71/34/23/607713423.db2.gz YIKOFQDTBUMRRC-LBPRGKRZSA-N -1 3 316.409 2.916 20 50 DFGDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=CC#N)c1ccccc1 ZINC000821608482 606183147 /nfs/dbraw/zinc/18/31/47/606183147.db2.gz JGKZKKOBXJFWEW-BOPFTXTBSA-N -1 3 316.368 2.863 20 50 DFGDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=CC#N)c1ccccc1 ZINC000821608482 606183148 /nfs/dbraw/zinc/18/31/48/606183148.db2.gz JGKZKKOBXJFWEW-BOPFTXTBSA-N -1 3 316.368 2.863 20 50 DFGDHM Cc1occc1C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822552960 606303847 /nfs/dbraw/zinc/30/38/47/606303847.db2.gz GSNUJTNHZLMEJV-WTKPLQERSA-N -1 3 311.326 2.620 20 50 DFGDHM Cc1occc1C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822552960 606303845 /nfs/dbraw/zinc/30/38/45/606303845.db2.gz GSNUJTNHZLMEJV-WTKPLQERSA-N -1 3 311.326 2.620 20 50 DFGDHM Cc1occc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822553508 606389388 /nfs/dbraw/zinc/38/93/88/606389388.db2.gz LXVRGWMBGISSSN-RMKNXTFCSA-N -1 3 311.326 2.620 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCCCC1 ZINC000822796437 607121158 /nfs/dbraw/zinc/12/11/58/607121158.db2.gz QYGLSGGEHLZEQH-XNTDXEJSSA-N -1 3 307.357 2.923 20 50 DFGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CCCCC1 ZINC000822796437 607121160 /nfs/dbraw/zinc/12/11/60/607121160.db2.gz QYGLSGGEHLZEQH-XNTDXEJSSA-N -1 3 307.357 2.923 20 50 DFGDHM N#CC(=Cc1ccccc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379193 608215421 /nfs/dbraw/zinc/21/54/21/608215421.db2.gz LLURLEOTQGMVSM-ZSOIEALJSA-N -1 3 319.299 2.796 20 50 DFGDHM N#CC(=Cc1ccccc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379193 608215423 /nfs/dbraw/zinc/21/54/23/608215423.db2.gz LLURLEOTQGMVSM-ZSOIEALJSA-N -1 3 319.299 2.796 20 50 DFGDHM CC[C@@H]1CCCCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825191544 609517057 /nfs/dbraw/zinc/51/70/57/609517057.db2.gz BZSGHUAEFVOBQB-LLVKDONJSA-N -1 3 312.377 2.553 20 50 DFGDHM CC[C@@H]1CCCCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825191544 609517059 /nfs/dbraw/zinc/51/70/59/609517059.db2.gz BZSGHUAEFVOBQB-LLVKDONJSA-N -1 3 312.377 2.553 20 50 DFGDHM CC(C)(C)c1ncc(/C=C/C(=O)N[N-]C(=O)c2ccoc2)s1 ZINC000079814279 399087038 /nfs/dbraw/zinc/08/70/38/399087038.db2.gz NYZLUCTVPOPANV-SNAWJCMRSA-N -1 3 319.386 2.508 20 50 DFGDHM Cc1cc2c(cc1NC(=O)/C(C#N)=C/c1ccc([O-])cc1)OCO2 ZINC000491101377 269916444 /nfs/dbraw/zinc/91/64/44/269916444.db2.gz DTFCRNZYEJNODS-NTUHNPAUSA-N -1 3 322.320 2.975 20 50 DFGDHM CCCCN(CCOC)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000194592328 266030837 /nfs/dbraw/zinc/03/08/37/266030837.db2.gz NPNKHTKFNUTGCH-QINSGFPZSA-N -1 3 302.374 2.574 20 50 DFGDHM C[C@@H](c1ccncc1)N(C)C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000188310100 267004612 /nfs/dbraw/zinc/00/46/12/267004612.db2.gz QUTXNGZDSWBGGV-RERGGYADSA-N -1 3 307.353 2.914 20 50 DFGDHM C[C@H](Cc1ccc(O)cc1)NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000185869985 267167033 /nfs/dbraw/zinc/16/70/33/267167033.db2.gz ORAHPBHJPKKNSW-YYTPVVGHSA-N -1 3 322.364 2.752 20 50 DFGDHM C[C@H]1SCCN(C(=O)/C(C#N)=C\c2ccc([O-])cc2)[C@@H]1C ZINC000185688635 267249079 /nfs/dbraw/zinc/24/90/79/267249079.db2.gz BUPINWZJEBYRPA-QNWYCTJYSA-N -1 3 302.399 2.652 20 50 DFGDHM C[C@H]1c2cccn2CCN1C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000194140036 267254049 /nfs/dbraw/zinc/25/40/49/267254049.db2.gz MVRQEORYZATYSY-WZMONFQBSA-N -1 3 307.353 2.704 20 50 DFGDHM CN(C(=O)/C(C#N)=C/c1ccc([O-])cc1)[C@@H](CO)CC(C)(C)C ZINC000491012583 267267147 /nfs/dbraw/zinc/26/71/47/267267147.db2.gz ROPIFDRCQQQZDU-AAWPKVBNSA-N -1 3 316.401 2.555 20 50 DFGDHM Cc1c(/C=C(\C#N)C(=O)Nc2ccc([O-])cc2F)cc(C#N)n1C ZINC000183276365 267273753 /nfs/dbraw/zinc/27/37/53/267273753.db2.gz HJPATPAFOQXMAT-LFYBBSHMSA-N -1 3 324.315 2.596 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000490943518 268143147 /nfs/dbraw/zinc/14/31/47/268143147.db2.gz RXZCFPASXTUFNZ-AUWJEWJLSA-N -1 3 320.352 2.680 20 50 DFGDHM CCCCCCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825271004 607355009 /nfs/dbraw/zinc/35/50/09/607355009.db2.gz FOIGWLKZLSYKTO-UHFFFAOYSA-N -1 3 302.382 2.670 20 50 DFGDHM CCC(C[C@H](C)CC)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736333499 598730359 /nfs/dbraw/zinc/73/03/59/598730359.db2.gz ACRQVZVSHQHMKX-LLVKDONJSA-N -1 3 314.393 2.799 20 50 DFGDHM CCC(C[C@H](C)CC)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736333499 598730360 /nfs/dbraw/zinc/73/03/60/598730360.db2.gz ACRQVZVSHQHMKX-LLVKDONJSA-N -1 3 314.393 2.799 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccccc1 ZINC000822796421 607455408 /nfs/dbraw/zinc/45/54/08/607455408.db2.gz 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/nfs/dbraw/zinc/33/42/98/606334298.db2.gz OINDQBOHRYLWSC-KRXBUXKQSA-N -1 3 300.372 2.757 20 50 DFGDHM Cc1csc(C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)n1 ZINC000822409166 606334300 /nfs/dbraw/zinc/33/43/00/606334300.db2.gz OINDQBOHRYLWSC-KRXBUXKQSA-N -1 3 300.372 2.757 20 50 DFGDHM CC1(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000824816813 607807174 /nfs/dbraw/zinc/80/71/74/607807174.db2.gz IKULBOOJYCPBJA-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM CC(C)(C(=O)NNc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000824064974 607942778 /nfs/dbraw/zinc/94/27/78/607942778.db2.gz QWOBSPUOISVJBQ-UHFFFAOYSA-N -1 3 314.393 2.526 20 50 DFGDHM CC(C)(C(=O)NNc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000824064974 607942779 /nfs/dbraw/zinc/94/27/79/607942779.db2.gz QWOBSPUOISVJBQ-UHFFFAOYSA-N -1 3 314.393 2.526 20 50 DFGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826291302 608802218 /nfs/dbraw/zinc/80/22/18/608802218.db2.gz YWRUYCKCMZDMQI-UHFFFAOYSA-N -1 3 323.360 2.632 20 50 DFGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826291302 608802219 /nfs/dbraw/zinc/80/22/19/608802219.db2.gz YWRUYCKCMZDMQI-UHFFFAOYSA-N -1 3 323.360 2.632 20 50 DFGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825232368 608878966 /nfs/dbraw/zinc/87/89/66/608878966.db2.gz GNEHDKCMOJQEMI-CEXMDJMXSA-N -1 3 313.336 2.918 20 50 DFGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825232368 608878969 /nfs/dbraw/zinc/87/89/69/608878969.db2.gz GNEHDKCMOJQEMI-CEXMDJMXSA-N -1 3 313.336 2.918 20 50 DFGDHM O=C([N-]NC(=O)C1CCCC1)c1ccc(Cl)cc1Cl ZINC000015621604 398396487 /nfs/dbraw/zinc/39/64/87/398396487.db2.gz BORVACXXZYUGKJ-UHFFFAOYSA-N -1 3 301.173 2.945 20 50 DFGDHM CCCC[C@H](CC)C(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000044000646 398635198 /nfs/dbraw/zinc/63/51/98/398635198.db2.gz XAHHKXPIMAKAQF-NSHDSACASA-N -1 3 307.350 2.572 20 50 DFGDHM N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CCSC[C@@H]1C1CC1 ZINC000491100520 269939068 /nfs/dbraw/zinc/93/90/68/269939068.db2.gz BESWQUVTMZQERO-IHWMJMDHSA-N -1 3 314.410 2.653 20 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ZXNAHEDVKDVBPG-FMIVXFBMSA-N -1 3 306.312 2.993 20 50 DFGDHM CCCCCC[C@@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825272315 607340350 /nfs/dbraw/zinc/34/03/50/607340350.db2.gz ZZFVIOGJGQHFIL-GFCCVEGCSA-N -1 3 316.409 2.916 20 50 DFGDHM CCCCCC[C@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825272317 607340400 /nfs/dbraw/zinc/34/04/00/607340400.db2.gz ZZFVIOGJGQHFIL-LBPRGKRZSA-N -1 3 316.409 2.916 20 50 DFGDHM C[C@H]1CCC[C@@H](CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824925970 607340422 /nfs/dbraw/zinc/34/04/22/607340422.db2.gz HWCLSZGPMOWCBW-NWDGAFQWSA-N -1 3 314.393 2.526 20 50 DFGDHM CCC(C[C@@H](C)CC)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736333502 598730616 /nfs/dbraw/zinc/73/06/16/598730616.db2.gz ACRQVZVSHQHMKX-NSHDSACASA-N -1 3 314.393 2.799 20 50 DFGDHM CCC(C[C@@H](C)CC)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736333502 598730618 /nfs/dbraw/zinc/73/06/18/598730618.db2.gz ACRQVZVSHQHMKX-NSHDSACASA-N -1 3 314.393 2.799 20 50 DFGDHM CCC(CC)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820893322 607457805 /nfs/dbraw/zinc/45/78/05/607457805.db2.gz NKTCTQBYKGVWGQ-NTUHNPAUSA-N -1 3 313.336 2.918 20 50 DFGDHM CCC(CC)C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820893322 607457806 /nfs/dbraw/zinc/45/78/06/607457806.db2.gz NKTCTQBYKGVWGQ-NTUHNPAUSA-N -1 3 313.336 2.918 20 50 DFGDHM CCC(CC)(CC)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825090325 607724136 /nfs/dbraw/zinc/72/41/36/607724136.db2.gz WWGSVRSCPGAVIV-UHFFFAOYSA-N -1 3 302.382 2.526 20 50 DFGDHM CCC(CC)(CC)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825090325 607724138 /nfs/dbraw/zinc/72/41/38/607724138.db2.gz WWGSVRSCPGAVIV-UHFFFAOYSA-N -1 3 302.382 2.526 20 50 DFGDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=CC#N)c1ccccc1 ZINC000821612381 606183421 /nfs/dbraw/zinc/18/34/21/606183421.db2.gz SYNVRRRANQYFOB-LICLKQGHSA-N -1 3 316.368 2.863 20 50 DFGDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=CC#N)c1ccccc1 ZINC000821612381 606183422 /nfs/dbraw/zinc/18/34/22/606183422.db2.gz SYNVRRRANQYFOB-LICLKQGHSA-N -1 3 316.368 2.863 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000822796241 606387416 /nfs/dbraw/zinc/38/74/16/606387416.db2.gz NJCYWHGNSUENLR-YFHOEESVSA-N -1 3 324.325 2.901 20 50 DFGDHM CCCCCCC=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825271123 607887588 /nfs/dbraw/zinc/88/75/88/607887588.db2.gz HIMUQDSAMFTZGW-UHFFFAOYSA-N -1 3 300.366 2.553 20 50 DFGDHM CCCCCCC=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825271123 607887589 /nfs/dbraw/zinc/88/75/89/607887589.db2.gz HIMUQDSAMFTZGW-UHFFFAOYSA-N -1 3 300.366 2.553 20 50 DFGDHM CC(C)CCC[C@H](C)NC(=O)N[N-]C(=O)c1ccccc1F ZINC000042930502 398607624 /nfs/dbraw/zinc/60/76/24/398607624.db2.gz KEIXHEFXDZIRPV-LBPRGKRZSA-N -1 3 309.385 2.985 20 50 DFGDHM Cc1ccc(/C=C/C(=O)N[N-]C(=O)c2ccoc2)cc1Cl ZINC000061501095 399156765 /nfs/dbraw/zinc/15/67/65/399156765.db2.gz HSJRKCDGVBQNAR-SNAWJCMRSA-N -1 3 304.733 2.716 20 50 DFGDHM C[C@@H]1CC(CNC(=O)/C(C#N)=C\c2ccc([O-])cc2)C[C@H](C)O1 ZINC000490876356 270002468 /nfs/dbraw/zinc/00/24/68/270002468.db2.gz 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MCQHTNLLUABOFW-OQLLNIDSSA-N -1 3 320.348 2.590 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NCC[C@H](O)c1ccccc1 ZINC000491010227 268152965 /nfs/dbraw/zinc/15/29/65/268152965.db2.gz LSGVFINFCYOSSD-QIPRVMPFSA-N -1 3 322.364 2.539 20 50 DFGDHM CC[C@@H]1CCCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736398003 599192744 /nfs/dbraw/zinc/19/27/44/599192744.db2.gz XOTCJSYGSJREMB-LLVKDONJSA-N -1 3 312.377 2.553 20 50 DFGDHM CC[C@@H]1CCCC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736398003 599192747 /nfs/dbraw/zinc/19/27/47/599192747.db2.gz XOTCJSYGSJREMB-LLVKDONJSA-N -1 3 312.377 2.553 20 50 DFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)cc1 ZINC000737670785 598430633 /nfs/dbraw/zinc/43/06/33/598430633.db2.gz CYNQMRYYBIYCML-ZROIWOOFSA-N -1 3 319.299 2.796 20 50 DFGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)cc1 ZINC000737670785 598430634 /nfs/dbraw/zinc/43/06/34/598430634.db2.gz CYNQMRYYBIYCML-ZROIWOOFSA-N -1 3 319.299 2.796 20 50 DFGDHM O=C(NN=C1CCC[C@@H](C2CC2)C1)c1cccc(-c2nnn[n-]2)c1 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ZINC000825260367 607344193 /nfs/dbraw/zinc/34/41/93/607344193.db2.gz OXJZPGPQOVXGJR-GFCCVEGCSA-N -1 3 316.409 2.916 20 50 DFGDHM CCC1CCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736394665 598733237 /nfs/dbraw/zinc/73/32/37/598733237.db2.gz CMAXUSDKGZZOJJ-UHFFFAOYSA-N -1 3 312.377 2.553 20 50 DFGDHM CCC1CCC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736394665 598733238 /nfs/dbraw/zinc/73/32/38/598733238.db2.gz CMAXUSDKGZZOJJ-UHFFFAOYSA-N -1 3 312.377 2.553 20 50 DFGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821007670 607459492 /nfs/dbraw/zinc/45/94/92/607459492.db2.gz CDNYQBHGDOGXIG-SRMXYGTFSA-N -1 3 313.336 2.918 20 50 DFGDHM CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821007670 607459493 /nfs/dbraw/zinc/45/94/93/607459493.db2.gz CDNYQBHGDOGXIG-SRMXYGTFSA-N -1 3 313.336 2.918 20 50 DFGDHM C[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824385645 607727483 /nfs/dbraw/zinc/72/74/83/607727483.db2.gz YEZAOVDQAWUANV-LBPRGKRZSA-N -1 3 322.372 2.504 20 50 DFGDHM C[C@@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824385645 607727485 /nfs/dbraw/zinc/72/74/85/607727485.db2.gz YEZAOVDQAWUANV-LBPRGKRZSA-N -1 3 322.372 2.504 20 50 DFGDHM CC(C)(C)CC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000819907355 606305302 /nfs/dbraw/zinc/30/53/02/606305302.db2.gz NNJPNDDHTNBMKM-WTKPLQERSA-N -1 3 301.375 2.840 20 50 DFGDHM CC(C)(C)CC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000819907355 606305304 /nfs/dbraw/zinc/30/53/04/606305304.db2.gz NNJPNDDHTNBMKM-WTKPLQERSA-N -1 3 301.375 2.840 20 50 DFGDHM CC1(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000824817316 607807123 /nfs/dbraw/zinc/80/71/23/607807123.db2.gz NREYRGJDGLJZBP-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM CC1(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000824817316 607807124 /nfs/dbraw/zinc/80/71/24/607807124.db2.gz NREYRGJDGLJZBP-UHFFFAOYSA-N -1 3 314.393 2.670 20 50 DFGDHM CCCCCCC=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825271411 607888503 /nfs/dbraw/zinc/88/85/03/607888503.db2.gz JAZHFRSCJXBVSG-UHFFFAOYSA-N -1 3 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CC(C)(C)CC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000819907354 606305226 /nfs/dbraw/zinc/30/52/26/606305226.db2.gz NNJPNDDHTNBMKM-RUDMXATFSA-N -1 3 301.375 2.840 20 50 DFGDHM CC(C)[C@@H](C)SCC(=O)N[N-]C(=O)c1ccccc1Cl ZINC000079078828 399015054 /nfs/dbraw/zinc/01/50/54/399015054.db2.gz DFMHGAFIXRRHJE-SNVBAGLBSA-N -1 3 314.838 2.879 20 50 DFGDHM CCN(Cc1ccncc1)C(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000490972440 267071537 /nfs/dbraw/zinc/07/15/37/267071537.db2.gz KDQIIMYVFGMFRJ-LFIBNONCSA-N -1 3 307.353 2.743 20 50 DFGDHM CN(C(=O)/C(C#N)=C\c1ccc([O-])cc1)[C@H](CO)CC(C)(C)C ZINC000491012586 267268473 /nfs/dbraw/zinc/26/84/73/267268473.db2.gz ROPIFDRCQQQZDU-MZLJFPOFSA-N -1 3 316.401 2.555 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@H]1COc2cccc(F)c21 ZINC000369484002 267905431 /nfs/dbraw/zinc/90/54/31/267905431.db2.gz KUSBHYHJRFVFFW-JQVXPOPVSA-N -1 3 324.311 2.688 20 50 DFGDHM N#CCCN(Cc1ccco1)C(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000188329797 267942211 /nfs/dbraw/zinc/94/22/11/267942211.db2.gz NENKZWDOXTUXDH-RVDMUPIBSA-N -1 3 321.336 2.835 20 50 DFGDHM N#C/C(=C\c1ccc([O-])cc1)C(=O)N[C@@H]1COc2ccc(F)cc21 ZINC000491010742 268155037 /nfs/dbraw/zinc/15/50/37/268155037.db2.gz MWYGZUHQAPCSAP-NYUWMOHMSA-N -1 3 324.311 2.688 20 50 DFGDHM N#C/C(=C\c1cccc([O-])c1)C(=O)NCc1ccc(F)cc1F ZINC000490693016 268156143 /nfs/dbraw/zinc/15/61/43/268156143.db2.gz ICJCIRBZBGKMOC-AWNIVKPZSA-N -1 3 314.291 2.894 20 50 DFGDHM CCCCCC(C)(C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825267948 607344326 /nfs/dbraw/zinc/34/43/26/607344326.db2.gz OEANDGCHLIOGHQ-UHFFFAOYSA-N -1 3 316.409 2.916 20 50 DFGDHM CC[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825038587 607347807 /nfs/dbraw/zinc/34/78/07/607347807.db2.gz GAYHWXRLVODVOI-HNNXBMFYSA-N -1 3 322.372 2.504 20 50 DFGDHM C[C@@H]1CCC[C@H](CC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824924980 607713438 /nfs/dbraw/zinc/71/34/38/607713438.db2.gz ADHWUIYSQVAPBV-NEPJUHHUSA-N -1 3 314.393 2.526 20 50 DFGDHM C[C@@H]1CCC[C@H](CC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824924980 607713440 /nfs/dbraw/zinc/71/34/40/607713440.db2.gz ADHWUIYSQVAPBV-NEPJUHHUSA-N -1 3 314.393 2.526 20 50 DFGDHM C[C@@H]1CCCC[C@@H]1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824937937 607724363 /nfs/dbraw/zinc/72/43/63/607724363.db2.gz SBHOGBJLKOGVKW-VXGBXAGGSA-N -1 3 314.393 2.526 20 50 DFGDHM C[C@@H]1CCCC[C@@H]1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824937937 607724364 /nfs/dbraw/zinc/72/43/64/607724364.db2.gz SBHOGBJLKOGVKW-VXGBXAGGSA-N -1 3 314.393 2.526 20 50 DFGDHM CC[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825039364 607724065 /nfs/dbraw/zinc/72/40/65/607724065.db2.gz QGGFWKAMYWTKPB-HNNXBMFYSA-N -1 3 322.372 2.504 20 50 DFGDHM CC[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825039364 607724067 /nfs/dbraw/zinc/72/40/67/607724067.db2.gz QGGFWKAMYWTKPB-HNNXBMFYSA-N -1 3 322.372 2.504 20 50 DFGDHM O=C([O-])Nc1cc2ccccc2cc1C(=O)NNc1ccncc1 ZINC000834257052 605851275 /nfs/dbraw/zinc/85/12/75/605851275.db2.gz RHDRIJLPXATOGH-UHFFFAOYSA-N -1 3 322.324 2.504 20 50 DFGDHM CCC(CC)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000820893309 606390748 /nfs/dbraw/zinc/39/07/48/606390748.db2.gz MVFCAECUILQDID-YFHOEESVSA-N -1 3 301.375 2.840 20 50 DFGDHM