smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000152362757 531544930 /nfs/dbraw/zinc/54/49/30/531544930.db2.gz VHJJNTHHZDDZJG-SNVBAGLBSA-N -1 3 379.419 2.468 20 30 GEEDHM C[C@@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000156300345 531727805 /nfs/dbraw/zinc/72/78/05/531727805.db2.gz KLWHBACCHZNNII-BETUJISGSA-N -1 3 385.917 2.378 20 30 GEEDHM Cn1cc(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)c(C(F)(F)F)n1 ZINC000165295554 531871059 /nfs/dbraw/zinc/87/10/59/531871059.db2.gz PVZKRVJYJNJSHT-UHFFFAOYSA-N -1 3 376.335 2.069 20 30 GEEDHM C=CCCS(=O)(=O)[N-][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000120621927 531986131 /nfs/dbraw/zinc/98/61/31/531986131.db2.gz YFKWMOIHVRBWKE-CYBMUJFWSA-N -1 3 378.372 2.186 20 30 GEEDHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCCC#N)c(Br)c1 ZINC000173117828 531988501 /nfs/dbraw/zinc/98/85/01/531988501.db2.gz ZEMMSMLQDFYIRP-UHFFFAOYSA-N -1 3 375.244 2.208 20 30 GEEDHM Cn1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(C(F)(F)F)n1 ZINC000129448707 532178548 /nfs/dbraw/zinc/17/85/48/532178548.db2.gz QVBOJLRBZLIQJR-UHFFFAOYSA-N -1 3 378.763 2.442 20 30 GEEDHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000180142854 532259162 /nfs/dbraw/zinc/25/91/62/532259162.db2.gz WYLYNVCQOYKWPQ-ZIAGYGMSSA-N -1 3 385.917 2.379 20 30 GEEDHM CC(C)c1csc(C(C#N)=C([O-])c2cc(S(=O)(=O)N(C)C)cn2C)n1 ZINC000181773071 532306793 /nfs/dbraw/zinc/30/67/93/532306793.db2.gz LYUPXRKLJONMSU-LBPRGKRZSA-N -1 3 380.495 2.345 20 30 GEEDHM C[C@H]1CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000183447372 532325178 /nfs/dbraw/zinc/32/51/78/532325178.db2.gz OROLHCFAEVGQPS-STQMWFEESA-N -1 3 385.917 2.378 20 30 GEEDHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H](C)O1 ZINC000185172795 532337058 /nfs/dbraw/zinc/33/70/58/532337058.db2.gz WWHVTTMXEMOQHV-ZIAGYGMSSA-N -1 3 385.917 2.379 20 30 GEEDHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cn1 ZINC000185499463 532337914 /nfs/dbraw/zinc/33/79/14/532337914.db2.gz STPQKTWFNYXHTE-LBPRGKRZSA-N -1 3 399.259 2.291 20 30 GEEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000185689280 532338533 /nfs/dbraw/zinc/33/85/33/532338533.db2.gz FQMFJRYSOQPQTO-OAHLLOKOSA-N -1 3 386.539 2.494 20 30 GEEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)NCc1ccccc1 ZINC000186400388 532340779 /nfs/dbraw/zinc/34/07/79/532340779.db2.gz QEJVBQFXWSZQGN-LBPRGKRZSA-N -1 3 377.853 2.195 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(CC(F)(F)F)C2)c(Cl)c1 ZINC000183633475 532327121 /nfs/dbraw/zinc/32/71/21/532327121.db2.gz DWAIGQHQVKTIHU-LLVKDONJSA-N -1 3 381.807 2.374 20 30 GEEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1CCN(CC(F)(F)F)CC1 ZINC000188328912 532347870 /nfs/dbraw/zinc/34/78/70/532347870.db2.gz QLAKWWWOQTUXTL-UHFFFAOYSA-N -1 3 379.379 2.250 20 30 GEEDHM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000557836958 532376348 /nfs/dbraw/zinc/37/63/48/532376348.db2.gz ZAONRSRKBZZNJQ-VHSXEESVSA-N -1 3 389.271 2.187 20 30 GEEDHM N#Cc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000558525435 532393212 /nfs/dbraw/zinc/39/32/12/532393212.db2.gz VAPHISGMSFEPPX-UHFFFAOYSA-N -1 3 392.184 2.420 20 30 GEEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)NCc1cccs1 ZINC000592080028 532439132 /nfs/dbraw/zinc/43/91/32/532439132.db2.gz IMEIPDPAKRGRDV-AWEZNQCLSA-N -1 3 381.454 2.132 20 30 GEEDHM C=C(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)cc1 ZINC000518564122 532444307 /nfs/dbraw/zinc/44/43/07/532444307.db2.gz HXZLIRYLNHNECC-GFCCVEGCSA-N -1 3 396.481 2.253 20 30 GEEDHM CCN(CC#N)C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000592753861 532459510 /nfs/dbraw/zinc/45/95/10/532459510.db2.gz WSKHDOXKGHZDJX-UHFFFAOYSA-N -1 3 383.779 2.009 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3Cl)C2=O)s1 ZINC000373820192 532472180 /nfs/dbraw/zinc/47/21/80/532472180.db2.gz SJHNAMKMSJHFTH-LBPRGKRZSA-N -1 3 381.866 2.357 20 30 GEEDHM CC(C)(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]1n1cccn1 ZINC000593609476 532490230 /nfs/dbraw/zinc/49/02/30/532490230.db2.gz QTLRMNDKEJXDMW-LALPHHSUSA-N -1 3 380.495 2.292 20 30 GEEDHM C=CCN1CCC([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000295764684 532474010 /nfs/dbraw/zinc/47/40/10/532474010.db2.gz SBDKKAGEUDANMF-UHFFFAOYSA-N -1 3 394.722 2.426 20 30 GEEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000468800096 532475860 /nfs/dbraw/zinc/47/58/60/532475860.db2.gz BTCCEZFBXJOCJL-QWHCGFSZSA-N -1 3 377.890 2.217 20 30 GEEDHM CS(=O)(=O)CC1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000296401066 532519344 /nfs/dbraw/zinc/51/93/44/532519344.db2.gz ZMIXXWZBTSJJLV-UHFFFAOYSA-N -1 3 390.914 2.093 20 30 GEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCc2scnc2C)ccc1F ZINC000296725892 532537715 /nfs/dbraw/zinc/53/77/15/532537715.db2.gz AOYMFBRUPJFGGU-UHFFFAOYSA-N -1 3 383.470 2.027 20 30 GEEDHM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594765054 532524307 /nfs/dbraw/zinc/52/43/07/532524307.db2.gz HWXKTASKMTYXME-JTQLQIEISA-N -1 3 386.520 2.183 20 30 GEEDHM COC(=O)[C@@]1([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCSC1 ZINC000594764581 532524344 /nfs/dbraw/zinc/52/43/44/532524344.db2.gz AJEAYVGTBXYUBX-MRXNPFEDSA-N -1 3 396.515 2.408 20 30 GEEDHM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594764355 532524543 /nfs/dbraw/zinc/52/45/43/532524543.db2.gz KZBXPYZYYSROIO-CYBMUJFWSA-N -1 3 377.491 2.371 20 30 GEEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCC1 ZINC000594781892 532527920 /nfs/dbraw/zinc/52/79/20/532527920.db2.gz YVGMGSPORRQANP-LBPRGKRZSA-N -1 3 377.491 2.371 20 30 GEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000283263077 532528170 /nfs/dbraw/zinc/52/81/70/532528170.db2.gz SCHPBTMLBSMMSY-BLLLJJGKSA-N -1 3 384.885 2.058 20 30 GEEDHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CC(C)(C)C#N)cc1F ZINC000432274961 532532667 /nfs/dbraw/zinc/53/26/67/532532667.db2.gz PJPHQYUZAAHIQZ-UHFFFAOYSA-N -1 3 391.490 2.148 20 30 GEEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594848991 532534714 /nfs/dbraw/zinc/53/47/14/532534714.db2.gz IGWPTBUHAGULGI-MFKMUULPSA-N -1 3 398.531 2.325 20 30 GEEDHM COc1c(S(=O)(=O)[N-]C(C)(C)C#N)cc(Br)c(C)c1[N+](=O)[O-] ZINC000565340480 532557555 /nfs/dbraw/zinc/55/75/55/532557555.db2.gz SHEADOCSMOHKAF-UHFFFAOYSA-N -1 3 392.231 2.255 20 30 GEEDHM Cc1nnc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)n1C1CC1 ZINC000433881353 532582702 /nfs/dbraw/zinc/58/27/02/532582702.db2.gz GATAXDVKJXKDKN-UHFFFAOYSA-N -1 3 396.270 2.034 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2cccc(C(F)(F)F)n2)s1 ZINC000435421799 532616500 /nfs/dbraw/zinc/61/65/00/532616500.db2.gz JMCGYWLKRNNCMB-UHFFFAOYSA-N -1 3 377.369 2.391 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2=O)s1 ZINC000435433170 532616828 /nfs/dbraw/zinc/61/68/28/532616828.db2.gz QNZMPKTYJHVPLA-ZDUSSCGKSA-N -1 3 381.866 2.357 20 30 GEEDHM N#CC[C@@H](CC(=O)NCC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000476428234 532643777 /nfs/dbraw/zinc/64/37/77/532643777.db2.gz KCLATJJAGDUCQP-HNNXBMFYSA-N -1 3 377.491 2.230 20 30 GEEDHM C[C@@]1(C#N)CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000598417229 532648697 /nfs/dbraw/zinc/64/86/97/532648697.db2.gz JGTNTNUBHAHJLK-AWEZNQCLSA-N -1 3 375.372 2.453 20 30 GEEDHM CCN(C[C@H](C)C#N)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000484295695 532676663 /nfs/dbraw/zinc/67/66/63/532676663.db2.gz ZRAIWBPUMNLFJD-GFCCVEGCSA-N -1 3 381.479 2.441 20 30 GEEDHM CS(=O)(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000535246770 532678106 /nfs/dbraw/zinc/67/81/06/532678106.db2.gz NAGXLACFNMNLFP-HNNXBMFYSA-N -1 3 398.893 2.276 20 30 GEEDHM C=CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)cc1 ZINC000569504708 532696336 /nfs/dbraw/zinc/69/63/36/532696336.db2.gz XKWCFMLAJNMPQN-NEPJUHHUSA-N -1 3 396.481 2.252 20 30 GEEDHM C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000487380916 532696993 /nfs/dbraw/zinc/69/69/93/532696993.db2.gz VYMQYLSWHLSKNJ-GFCCVEGCSA-N -1 3 376.475 2.317 20 30 GEEDHM CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000410416953 532739637 /nfs/dbraw/zinc/73/96/37/532739637.db2.gz IOLPECJWJZEPRO-MFKMUULPSA-N -1 3 380.297 2.343 20 30 GEEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000410416951 532739774 /nfs/dbraw/zinc/73/97/74/532739774.db2.gz IOLPECJWJZEPRO-GWCFXTLKSA-N -1 3 380.297 2.343 20 30 GEEDHM C[C@H]1CN(CCCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H](C)O1 ZINC000443514802 532748731 /nfs/dbraw/zinc/74/87/31/532748731.db2.gz YZHOYRJGMNWQDM-KBPBESRZSA-N -1 3 385.917 2.379 20 30 GEEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1n1cccn1 ZINC000550024561 532796733 /nfs/dbraw/zinc/79/67/33/532796733.db2.gz LBWKQLQFNQRRCX-FMKPAKJESA-N -1 3 380.857 2.105 20 30 GEEDHM C=CCSCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000269720266 532788039 /nfs/dbraw/zinc/78/80/39/532788039.db2.gz FWAUZBTZBHULGU-UHFFFAOYSA-N -1 3 396.531 2.173 20 30 GEEDHM C=C(C)[C@H](CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)OCC ZINC000270045150 532793523 /nfs/dbraw/zinc/79/35/23/532793523.db2.gz PNDCJJSIQLMAIP-HNNXBMFYSA-N -1 3 386.539 2.389 20 30 GEEDHM C=CC1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000549589334 532795222 /nfs/dbraw/zinc/79/52/22/532795222.db2.gz QQNJRWQZHAIWDH-UHFFFAOYSA-N -1 3 389.880 2.365 20 30 GEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C2CC2)C(F)(F)F)ccc1F ZINC000288543817 532830483 /nfs/dbraw/zinc/83/04/83/532830483.db2.gz WWQQHIAPKISUQZ-ZDUSSCGKSA-N -1 3 380.363 2.361 20 30 GEEDHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C2(C#N)CCC2)cc1F ZINC000332456536 532855684 /nfs/dbraw/zinc/85/56/84/532855684.db2.gz OKRWTCOBLJXTIL-UHFFFAOYSA-N -1 3 389.474 2.043 20 30 GEEDHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)s1 ZINC000276268882 532892095 /nfs/dbraw/zinc/89/20/95/532892095.db2.gz NGPXELFZZCXKQX-LRDDRELGSA-N -1 3 385.511 2.397 20 30 GEEDHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000290928623 532892750 /nfs/dbraw/zinc/89/27/50/532892750.db2.gz JMGAYGDSYKMDHQ-INIZCTEOSA-N -1 3 385.873 2.021 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(CCc3ccncc3)CC2)s1 ZINC000366648867 532920024 /nfs/dbraw/zinc/92/00/24/532920024.db2.gz JLFVCQAPVGNSNL-UHFFFAOYSA-N -1 3 376.507 2.000 20 30 GEEDHM COc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1OC ZINC000737087902 598916217 /nfs/dbraw/zinc/91/62/17/598916217.db2.gz PDAPNZIFKFMLLV-UHFFFAOYSA-N -1 3 378.392 2.327 20 30 GEEDHM COc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1OC ZINC000737087902 598916219 /nfs/dbraw/zinc/91/62/19/598916219.db2.gz PDAPNZIFKFMLLV-UHFFFAOYSA-N -1 3 378.392 2.327 20 30 GEEDHM N#Cc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737716775 598923386 /nfs/dbraw/zinc/92/33/86/598923386.db2.gz UUHCAKVJPHGHCN-UHFFFAOYSA-N -1 3 378.352 2.087 20 30 GEEDHM N#Cc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737716775 598923388 /nfs/dbraw/zinc/92/33/88/598923388.db2.gz UUHCAKVJPHGHCN-UHFFFAOYSA-N -1 3 378.352 2.087 20 30 GEEDHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000735498200 598924457 /nfs/dbraw/zinc/92/44/57/598924457.db2.gz GQKOZBBCHPTFHN-LBPRGKRZSA-N -1 3 376.376 2.347 20 30 GEEDHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000735498200 598924459 /nfs/dbraw/zinc/92/44/59/598924459.db2.gz GQKOZBBCHPTFHN-LBPRGKRZSA-N -1 3 376.376 2.347 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735387876 598926844 /nfs/dbraw/zinc/92/68/44/598926844.db2.gz JDIZUTBYHNAWRR-UHFFFAOYSA-N -1 3 379.445 2.287 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735387876 598926846 /nfs/dbraw/zinc/92/68/46/598926846.db2.gz JDIZUTBYHNAWRR-UHFFFAOYSA-N -1 3 379.445 2.287 20 30 GEEDHM C=CCN=c1scc(-c2cnn(C)c2)n1N=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735429675 599032359 /nfs/dbraw/zinc/03/23/59/599032359.db2.gz VIVAPPRGFHRGOT-UHFFFAOYSA-N -1 3 391.464 2.099 20 30 GEEDHM C=CCN=c1scc(-c2cnn(C)c2)n1N=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735429675 599032361 /nfs/dbraw/zinc/03/23/61/599032361.db2.gz VIVAPPRGFHRGOT-UHFFFAOYSA-N -1 3 391.464 2.099 20 30 GEEDHM N#Cc1cnc2c(F)ccc(F)c2c1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822842397 599049283 /nfs/dbraw/zinc/04/92/83/599049283.db2.gz GVTGOLGWNFTXQN-UHFFFAOYSA-N -1 3 393.357 2.478 20 30 GEEDHM N#CCCCOc1cccc(N[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737688578 599094012 /nfs/dbraw/zinc/09/40/12/599094012.db2.gz VRKIGVDJOYSVLA-KRWDZBQOSA-N -1 3 377.408 2.188 20 30 GEEDHM N#CCCCOc1cccc(N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737688578 599094015 /nfs/dbraw/zinc/09/40/15/599094015.db2.gz VRKIGVDJOYSVLA-KRWDZBQOSA-N -1 3 377.408 2.188 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000735380285 599094776 /nfs/dbraw/zinc/09/47/76/599094776.db2.gz IGURNULAJOFSOK-UHFFFAOYSA-N -1 3 397.366 2.044 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000735380285 599094779 /nfs/dbraw/zinc/09/47/79/599094779.db2.gz IGURNULAJOFSOK-UHFFFAOYSA-N -1 3 397.366 2.044 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735380673 599095082 /nfs/dbraw/zinc/09/50/82/599095082.db2.gz LAOQEXHKIORTAA-GFCCVEGCSA-N -1 3 381.367 2.424 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735380673 599095085 /nfs/dbraw/zinc/09/50/85/599095085.db2.gz LAOQEXHKIORTAA-GFCCVEGCSA-N -1 3 381.367 2.424 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1nnc(-c2cccc(F)c2)o1 ZINC000737705885 599163199 /nfs/dbraw/zinc/16/31/99/599163199.db2.gz RJKASSIGYPOGHD-UHFFFAOYSA-N -1 3 395.383 2.197 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1nnc(-c2cccc(F)c2)o1 ZINC000737705885 599163202 /nfs/dbraw/zinc/16/32/02/599163202.db2.gz RJKASSIGYPOGHD-UHFFFAOYSA-N -1 3 395.383 2.197 20 30 GEEDHM N#Cc1cc(NC(=O)CCCn2c(=O)oc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737706425 599191492 /nfs/dbraw/zinc/19/14/92/599191492.db2.gz XNYVILZLNIOSIQ-UHFFFAOYSA-N -1 3 389.375 2.065 20 30 GEEDHM N#Cc1cc(NC(=O)CCCn2c(=O)oc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737706425 599191495 /nfs/dbraw/zinc/19/14/95/599191495.db2.gz XNYVILZLNIOSIQ-UHFFFAOYSA-N -1 3 389.375 2.065 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735634188 599193159 /nfs/dbraw/zinc/19/31/59/599193159.db2.gz VRWIDGOZWVZCLR-HUUCEWRRSA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735634188 599193161 /nfs/dbraw/zinc/19/31/61/599193161.db2.gz VRWIDGOZWVZCLR-HUUCEWRRSA-N -1 3 397.439 2.370 20 30 GEEDHM Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737464761 599193642 /nfs/dbraw/zinc/19/36/42/599193642.db2.gz XJGMJGBVGWJMAG-UHFFFAOYSA-N -1 3 391.420 2.156 20 30 GEEDHM Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737464761 599193644 /nfs/dbraw/zinc/19/36/44/599193644.db2.gz XJGMJGBVGWJMAG-UHFFFAOYSA-N -1 3 391.420 2.156 20 30 GEEDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737220441 599193892 /nfs/dbraw/zinc/19/38/92/599193892.db2.gz XZZNUSRSOMUNRH-UHFFFAOYSA-N -1 3 394.307 2.116 20 30 GEEDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737220441 599193894 /nfs/dbraw/zinc/19/38/94/599193894.db2.gz XZZNUSRSOMUNRH-UHFFFAOYSA-N -1 3 394.307 2.116 20 30 GEEDHM N#Cc1cc(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)ccc1-c1nnn[n-]1 ZINC000737709524 599197892 /nfs/dbraw/zinc/19/78/92/599197892.db2.gz OYFABBTXSZPSMP-UHFFFAOYSA-N -1 3 375.323 2.384 20 30 GEEDHM N#Cc1cc(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)ccc1-c1nn[n-]n1 ZINC000737709524 599197895 /nfs/dbraw/zinc/19/78/95/599197895.db2.gz OYFABBTXSZPSMP-UHFFFAOYSA-N -1 3 375.323 2.384 20 30 GEEDHM CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736529739 599199721 /nfs/dbraw/zinc/19/97/21/599199721.db2.gz QNTBJTHPJRNWQR-UHFFFAOYSA-N -1 3 389.419 2.473 20 30 GEEDHM CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736529739 599199725 /nfs/dbraw/zinc/19/97/25/599199725.db2.gz QNTBJTHPJRNWQR-UHFFFAOYSA-N -1 3 389.419 2.473 20 30 GEEDHM N#Cc1ccccc1COc1cccc(C(=O)Nc2ccncc2-c2nnn[n-]2)c1 ZINC000737727833 599250547 /nfs/dbraw/zinc/25/05/47/599250547.db2.gz SWMZDJKILLLFFD-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM N#Cc1ccccc1COc1cccc(C(=O)Nc2ccncc2-c2nn[n-]n2)c1 ZINC000737727833 599250549 /nfs/dbraw/zinc/25/05/49/599250549.db2.gz SWMZDJKILLLFFD-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM C#CCOc1ccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819709683 599280485 /nfs/dbraw/zinc/28/04/85/599280485.db2.gz ODFPDXNMODLUKF-UHFFFAOYSA-N -1 3 378.392 2.079 20 30 GEEDHM N#Cc1ccc(N2CCN(CCOc3cccc(-c4nn[n-]n4)c3)CC2)c(F)c1 ZINC000737717555 598256634 /nfs/dbraw/zinc/25/66/34/598256634.db2.gz FSLNZYSJXMVSBO-UHFFFAOYSA-N -1 3 393.426 2.078 20 30 GEEDHM O=C1Nc2ccccc2C1=NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738320283 598316370 /nfs/dbraw/zinc/31/63/70/598316370.db2.gz SQNGMYPQXVCVLS-UHFFFAOYSA-N -1 3 398.839 2.163 20 30 GEEDHM O=C1Nc2ccccc2C1=NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738320283 598316372 /nfs/dbraw/zinc/31/63/72/598316372.db2.gz SQNGMYPQXVCVLS-UHFFFAOYSA-N -1 3 398.839 2.163 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccc(COC)c1 ZINC000735425814 598463514 /nfs/dbraw/zinc/46/35/14/598463514.db2.gz HXDSDGJQACJRPZ-UHFFFAOYSA-N -1 3 399.476 2.390 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccc(COC)c1 ZINC000735425814 598463516 /nfs/dbraw/zinc/46/35/16/598463516.db2.gz HXDSDGJQACJRPZ-UHFFFAOYSA-N -1 3 399.476 2.390 20 30 GEEDHM C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735402276 598480800 /nfs/dbraw/zinc/48/08/00/598480800.db2.gz PEZMVNGEMYNATD-UHFFFAOYSA-N -1 3 392.419 2.077 20 30 GEEDHM C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402276 598480802 /nfs/dbraw/zinc/48/08/02/598480802.db2.gz PEZMVNGEMYNATD-UHFFFAOYSA-N -1 3 392.419 2.077 20 30 GEEDHM CC(CCN1C(=O)c2ccccc2C1=O)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735985571 598492247 /nfs/dbraw/zinc/49/22/47/598492247.db2.gz HBLAMXBHGKHTRU-UHFFFAOYSA-N -1 3 375.392 2.341 20 30 GEEDHM CC(CCN1C(=O)c2ccccc2C1=O)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735985571 598492249 /nfs/dbraw/zinc/49/22/49/598492249.db2.gz HBLAMXBHGKHTRU-UHFFFAOYSA-N -1 3 375.392 2.341 20 30 GEEDHM C#CCOc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735381572 598494463 /nfs/dbraw/zinc/49/44/63/598494463.db2.gz VZOWWGFAZKYHTA-LJQANCHMSA-N -1 3 388.431 2.486 20 30 GEEDHM C#CCOc1ccc(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000735380075 598495702 /nfs/dbraw/zinc/49/57/02/598495702.db2.gz BQAZMKHUGMTFFD-UHFFFAOYSA-N -1 3 396.794 2.109 20 30 GEEDHM C#CCOc1ccc(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000735380075 598495703 /nfs/dbraw/zinc/49/57/03/598495703.db2.gz BQAZMKHUGMTFFD-UHFFFAOYSA-N -1 3 396.794 2.109 20 30 GEEDHM CC(C)Oc1ccc(C(=O)CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC000735906755 598568381 /nfs/dbraw/zinc/56/83/81/598568381.db2.gz WEIKGJSPEQSREX-UHFFFAOYSA-N -1 3 395.448 2.478 20 30 GEEDHM CC(C)Oc1ccc(C(=O)CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1 ZINC000735906755 598568383 /nfs/dbraw/zinc/56/83/83/598568383.db2.gz WEIKGJSPEQSREX-UHFFFAOYSA-N -1 3 395.448 2.478 20 30 GEEDHM C=C(Br)COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735397692 598619535 /nfs/dbraw/zinc/61/95/35/598619535.db2.gz CCNBWRIGNDMOOA-CYBMUJFWSA-N -1 3 378.230 2.287 20 30 GEEDHM Cc1c(C(=O)C=Cc2ccccc2-n2cncn2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201690 598639065 /nfs/dbraw/zinc/63/90/65/598639065.db2.gz HCQYJFKZAAQNJV-CMDGGOBGSA-N -1 3 386.419 2.400 20 30 GEEDHM Cc1c(C(=O)C=Cc2ccccc2-n2cncn2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201690 598639066 /nfs/dbraw/zinc/63/90/66/598639066.db2.gz HCQYJFKZAAQNJV-CMDGGOBGSA-N -1 3 386.419 2.400 20 30 GEEDHM Cc1c(C(=O)C=Cc2ccc(S(C)(=O)=O)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202840 598640795 /nfs/dbraw/zinc/64/07/95/598640795.db2.gz OXZUISRTRYGCTH-JXMROGBWSA-N -1 3 397.460 2.222 20 30 GEEDHM Cc1c(C(=O)C=Cc2ccc(S(C)(=O)=O)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202840 598640796 /nfs/dbraw/zinc/64/07/96/598640796.db2.gz OXZUISRTRYGCTH-JXMROGBWSA-N -1 3 397.460 2.222 20 30 GEEDHM O=C(C=NOCc1ccc(F)cc1-c1nnn[n-]1)Nc1cccc([N+](=O)[O-])c1 ZINC000737807874 598675373 /nfs/dbraw/zinc/67/53/73/598675373.db2.gz NKDOTWHSOSSAGO-UHFFFAOYSA-N -1 3 385.315 2.055 20 30 GEEDHM O=C(C=NOCc1ccc(F)cc1-c1nn[n-]n1)Nc1cccc([N+](=O)[O-])c1 ZINC000737807874 598675374 /nfs/dbraw/zinc/67/53/74/598675374.db2.gz NKDOTWHSOSSAGO-UHFFFAOYSA-N -1 3 385.315 2.055 20 30 GEEDHM N#Cc1ccc(CNC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737711294 598697454 /nfs/dbraw/zinc/69/74/54/598697454.db2.gz ILMVWADMOCLVDJ-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM N#Cc1ccc(CNC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737711294 598697456 /nfs/dbraw/zinc/69/74/56/598697456.db2.gz ILMVWADMOCLVDJ-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM N#Cc1ccc(SCC(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737723573 598714117 /nfs/dbraw/zinc/71/41/17/598714117.db2.gz WXRMENNKMKYSSC-UHFFFAOYSA-N -1 3 381.417 2.453 20 30 GEEDHM N#CCc1ccc(Oc2ccc(C(=O)n3ncc(-c4nnn[n-]4)c3N)cc2)cc1 ZINC000737697983 598720760 /nfs/dbraw/zinc/72/07/60/598720760.db2.gz PLDDVTQYTPTTLP-UHFFFAOYSA-N -1 3 386.375 2.192 20 30 GEEDHM C#Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)nc1 ZINC000735390018 598780165 /nfs/dbraw/zinc/78/01/65/598780165.db2.gz MYVMTFVIZYCGLN-SNVBAGLBSA-N -1 3 396.794 2.080 20 30 GEEDHM C#Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)nc1 ZINC000735390018 598780166 /nfs/dbraw/zinc/78/01/66/598780166.db2.gz MYVMTFVIZYCGLN-SNVBAGLBSA-N -1 3 396.794 2.080 20 30 GEEDHM C=CCOc1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1OC ZINC000735436317 598802693 /nfs/dbraw/zinc/80/26/93/598802693.db2.gz IYCMYPWSRBQQLH-UITAMQMPSA-N -1 3 378.392 2.487 20 30 GEEDHM C=CCOc1ccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1OC ZINC000735436317 598802694 /nfs/dbraw/zinc/80/26/94/598802694.db2.gz IYCMYPWSRBQQLH-UITAMQMPSA-N -1 3 378.392 2.487 20 30 GEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc(-c2nn[nH]n2)cc1 ZINC000737200902 599306176 /nfs/dbraw/zinc/30/61/76/599306176.db2.gz WAHVSUGUMIFNDL-UHFFFAOYSA-N -1 3 377.408 2.051 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820446374 599325065 /nfs/dbraw/zinc/32/50/65/599325065.db2.gz VOUYEIYUEBOQTF-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820446374 599325067 /nfs/dbraw/zinc/32/50/67/599325067.db2.gz VOUYEIYUEBOQTF-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccn(CCC#N)n1 ZINC000735874671 599358876 /nfs/dbraw/zinc/35/88/76/599358876.db2.gz UCIYYPDUXZMVMR-UHFFFAOYSA-N -1 3 379.428 2.419 20 30 GEEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccn(CCC#N)n1 ZINC000735874671 599358877 /nfs/dbraw/zinc/35/88/77/599358877.db2.gz UCIYYPDUXZMVMR-UHFFFAOYSA-N -1 3 379.428 2.419 20 30 GEEDHM CC(C)Oc1ccc(NCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000820173582 607372047 /nfs/dbraw/zinc/37/20/47/607372047.db2.gz ITVQXAQAQZJJBB-UHFFFAOYSA-N -1 3 391.435 2.254 20 30 GEEDHM CC(C)Oc1ccc(NCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000820173582 607372048 /nfs/dbraw/zinc/37/20/48/607372048.db2.gz ITVQXAQAQZJJBB-UHFFFAOYSA-N -1 3 391.435 2.254 20 30 GEEDHM CC(C)Oc1ccc(NCC(=O)NCc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820173540 607372227 /nfs/dbraw/zinc/37/22/27/607372227.db2.gz GULFCHNYKLNCDN-UHFFFAOYSA-N -1 3 391.435 2.254 20 30 GEEDHM CC(C)Oc1ccc(NCC(=O)NCc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000820173540 607372229 /nfs/dbraw/zinc/37/22/29/607372229.db2.gz GULFCHNYKLNCDN-UHFFFAOYSA-N -1 3 391.435 2.254 20 30 GEEDHM C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820366979 599451222 /nfs/dbraw/zinc/45/12/22/599451222.db2.gz QYMMMZKBQUARLK-CYBMUJFWSA-N -1 3 377.408 2.178 20 30 GEEDHM C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820366979 599451225 /nfs/dbraw/zinc/45/12/25/599451225.db2.gz QYMMMZKBQUARLK-CYBMUJFWSA-N -1 3 377.408 2.178 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(-n2cccn2)n1 ZINC000735418691 599464558 /nfs/dbraw/zinc/46/45/58/599464558.db2.gz IPULJIMVXWFAGD-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(-n2cccn2)n1 ZINC000735418691 599464561 /nfs/dbraw/zinc/46/45/61/599464561.db2.gz IPULJIMVXWFAGD-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000821700599 599512174 /nfs/dbraw/zinc/51/21/74/599512174.db2.gz SRFVAQUYVYMFMR-GFCCVEGCSA-N -1 3 378.392 2.003 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000821700599 599512177 /nfs/dbraw/zinc/51/21/77/599512177.db2.gz SRFVAQUYVYMFMR-GFCCVEGCSA-N -1 3 378.392 2.003 20 30 GEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822010355 599542453 /nfs/dbraw/zinc/54/24/53/599542453.db2.gz ZGLYTKVXMUMZEE-LBPRGKRZSA-N -1 3 391.435 2.266 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000819745645 599599058 /nfs/dbraw/zinc/59/90/58/599599058.db2.gz NLVBCSZRJIGNMW-UHFFFAOYSA-N -1 3 382.449 2.390 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000819745645 599599059 /nfs/dbraw/zinc/59/90/59/599599059.db2.gz NLVBCSZRJIGNMW-UHFFFAOYSA-N -1 3 382.449 2.390 20 30 GEEDHM C=CC1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000819729854 599604878 /nfs/dbraw/zinc/60/48/78/599604878.db2.gz NUTZMIKGFDBVLJ-UHFFFAOYSA-N -1 3 394.357 2.249 20 30 GEEDHM C=CC1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000819729854 599604880 /nfs/dbraw/zinc/60/48/80/599604880.db2.gz NUTZMIKGFDBVLJ-UHFFFAOYSA-N -1 3 394.357 2.249 20 30 GEEDHM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000819933054 599631660 /nfs/dbraw/zinc/63/16/60/599631660.db2.gz DHLIFJOMTZWMFK-AAEUAGOBSA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000819933054 599631661 /nfs/dbraw/zinc/63/16/61/599631661.db2.gz DHLIFJOMTZWMFK-AAEUAGOBSA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000819933663 599631769 /nfs/dbraw/zinc/63/17/69/599631769.db2.gz YZCAWKOFQGGFMG-SMDDNHRTSA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000819933663 599631770 /nfs/dbraw/zinc/63/17/70/599631770.db2.gz YZCAWKOFQGGFMG-SMDDNHRTSA-N -1 3 397.439 2.370 20 30 GEEDHM N#CC1(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCCCC1 ZINC000822801761 599659016 /nfs/dbraw/zinc/65/90/16/599659016.db2.gz NZTHKZDONDKDNL-UHFFFAOYSA-N -1 3 379.380 2.434 20 30 GEEDHM N#CC1(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCCCC1 ZINC000822801761 599659017 /nfs/dbraw/zinc/65/90/17/599659017.db2.gz NZTHKZDONDKDNL-UHFFFAOYSA-N -1 3 379.380 2.434 20 30 GEEDHM COc1ccc(C#N)cc1COC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821769442 607414360 /nfs/dbraw/zinc/41/43/60/607414360.db2.gz HQIZMUFTALXQRK-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(C#N)cc1COC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821769442 607414362 /nfs/dbraw/zinc/41/43/62/607414362.db2.gz HQIZMUFTALXQRK-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000736662494 600594179 /nfs/dbraw/zinc/59/41/79/600594179.db2.gz PJRZMPMKWJHLJX-UGSOOPFHSA-N -1 3 387.461 2.285 20 30 GEEDHM CS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821936983 607459650 /nfs/dbraw/zinc/45/96/50/607459650.db2.gz INGYHJBSMQCPMV-TWGQIWQCSA-N -1 3 387.396 2.273 20 30 GEEDHM COC(=O)COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821662614 607459753 /nfs/dbraw/zinc/45/97/53/607459753.db2.gz KLFYDZWWGPSZIB-RMKNXTFCSA-N -1 3 382.351 2.454 20 30 GEEDHM COC(=O)COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821662614 607459754 /nfs/dbraw/zinc/45/97/54/607459754.db2.gz KLFYDZWWGPSZIB-RMKNXTFCSA-N -1 3 382.351 2.454 20 30 GEEDHM N#Cc1ccc([C@H](N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)C(=O)[O-])cc1 ZINC000833072345 600761104 /nfs/dbraw/zinc/76/11/04/600761104.db2.gz RSSNOULJWDPFKI-XCJLJZCSSA-N -1 3 375.428 2.431 20 30 GEEDHM N#Cc1ccc([C@H](N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)C(=O)[O-])cc1 ZINC000833072344 600761160 /nfs/dbraw/zinc/76/11/60/600761160.db2.gz RSSNOULJWDPFKI-JKBKZWBZSA-N -1 3 375.428 2.431 20 30 GEEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000829881277 601236245 /nfs/dbraw/zinc/23/62/45/601236245.db2.gz DFTDRYSKNLVGAT-OFQRWUPVSA-N -1 3 386.404 2.402 20 30 GEEDHM CN(C[C@@H](O)COc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830706014 601900772 /nfs/dbraw/zinc/90/07/72/601900772.db2.gz AACHMVSLTVNHPL-ACJLOTCBSA-N -1 3 394.349 2.473 20 30 GEEDHM COc1ccc(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826198683 607562955 /nfs/dbraw/zinc/56/29/55/607562955.db2.gz FXHLVNRIUWFGKD-GFCCVEGCSA-N -1 3 377.408 2.307 20 30 GEEDHM COc1ccc(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826198683 607562957 /nfs/dbraw/zinc/56/29/57/607562957.db2.gz FXHLVNRIUWFGKD-GFCCVEGCSA-N -1 3 377.408 2.307 20 30 GEEDHM COc1ccc(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826197202 607579940 /nfs/dbraw/zinc/57/99/40/607579940.db2.gz DYRUPMWTOMXRAR-UHFFFAOYSA-N -1 3 394.460 2.297 20 30 GEEDHM COc1ccc(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826197202 607579942 /nfs/dbraw/zinc/57/99/42/607579942.db2.gz DYRUPMWTOMXRAR-UHFFFAOYSA-N -1 3 394.460 2.297 20 30 GEEDHM Cc1csc(=NCCc2ccccn2)n1N=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826320074 607634176 /nfs/dbraw/zinc/63/41/76/607634176.db2.gz FXGZJQOTHZUYCX-UHFFFAOYSA-N -1 3 390.476 2.459 20 30 GEEDHM Cc1csc(=NCCc2ccccn2)n1N=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826320074 607634177 /nfs/dbraw/zinc/63/41/77/607634177.db2.gz FXGZJQOTHZUYCX-UHFFFAOYSA-N -1 3 390.476 2.459 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCN1CCCc2ccccc21 ZINC000826383931 607657067 /nfs/dbraw/zinc/65/70/67/607657067.db2.gz XZSTYJMQXLWLLG-UHFFFAOYSA-N -1 3 378.465 2.260 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCN1CCCc2ccccc21 ZINC000826383931 607657068 /nfs/dbraw/zinc/65/70/68/607657068.db2.gz XZSTYJMQXLWLLG-UHFFFAOYSA-N -1 3 378.465 2.260 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000826279344 607670894 /nfs/dbraw/zinc/67/08/94/607670894.db2.gz NTPDCYDKVMZLSF-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000826279344 607670895 /nfs/dbraw/zinc/67/08/95/607670895.db2.gz NTPDCYDKVMZLSF-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826257084 607696568 /nfs/dbraw/zinc/69/65/68/607696568.db2.gz MVXYIHQFRLSXEV-UHFFFAOYSA-N -1 3 387.447 2.446 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826257084 607696569 /nfs/dbraw/zinc/69/65/69/607696569.db2.gz MVXYIHQFRLSXEV-UHFFFAOYSA-N -1 3 387.447 2.446 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)CCN[C@@H](CNC(=O)[O-])C2CCCCC2)cc1 ZINC000833977919 605665639 /nfs/dbraw/zinc/66/56/39/605665639.db2.gz VJYMTTDQNQMIKP-KRWDZBQOSA-N -1 3 379.482 2.138 20 30 GEEDHM N#Cc1cnc2ccccc2c1N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000822842320 606063297 /nfs/dbraw/zinc/06/32/97/606063297.db2.gz BQNOSIKNPQPVEX-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cnc2ccccc2c1N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000822842320 606063303 /nfs/dbraw/zinc/06/33/03/606063303.db2.gz BQNOSIKNPQPVEX-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#C[C@H](c1ccccc1)N1CCN(CCOc2ccccc2-c2nnn[n-]2)CC1 ZINC000822802104 606072502 /nfs/dbraw/zinc/07/25/02/606072502.db2.gz VOAFSTQMFNTZLM-LJQANCHMSA-N -1 3 389.463 2.128 20 30 GEEDHM N#C[C@H](c1ccccc1)N1CCN(CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC000822802104 606072508 /nfs/dbraw/zinc/07/25/08/606072508.db2.gz VOAFSTQMFNTZLM-LJQANCHMSA-N -1 3 389.463 2.128 20 30 GEEDHM C#CCN(CC)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000819698171 606074691 /nfs/dbraw/zinc/07/46/91/606074691.db2.gz TWWVWLWTYKWXFG-UHFFFAOYSA-N -1 3 377.452 2.168 20 30 GEEDHM C#CCN(CC)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000819698171 606074695 /nfs/dbraw/zinc/07/46/95/606074695.db2.gz TWWVWLWTYKWXFG-UHFFFAOYSA-N -1 3 377.452 2.168 20 30 GEEDHM Cc1sc(NC(=O)CN(C)Cc2cccc(-c3nn[n-]n3)c2)c(C#N)c1C ZINC000822558029 606108491 /nfs/dbraw/zinc/10/84/91/606108491.db2.gz LOEDROKZSJFTGB-UHFFFAOYSA-N -1 3 381.465 2.487 20 30 GEEDHM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820252766 606148732 /nfs/dbraw/zinc/14/87/32/606148732.db2.gz DIFAFTOHPNLPEC-NSHDSACASA-N -1 3 385.428 2.180 20 30 GEEDHM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820252766 606148734 /nfs/dbraw/zinc/14/87/34/606148734.db2.gz DIFAFTOHPNLPEC-NSHDSACASA-N -1 3 385.428 2.180 20 30 GEEDHM CS(=O)(=O)Nc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821937750 606305566 /nfs/dbraw/zinc/30/55/66/606305566.db2.gz QFNTTYWXBZRVET-WAYWQWQTSA-N -1 3 375.435 2.196 20 30 GEEDHM CS(=O)(=O)Nc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821937750 606305567 /nfs/dbraw/zinc/30/55/67/606305567.db2.gz QFNTTYWXBZRVET-WAYWQWQTSA-N -1 3 375.435 2.196 20 30 GEEDHM CN(Cc1cccc(C#N)c1)[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821613681 606315874 /nfs/dbraw/zinc/31/58/74/606315874.db2.gz YOYWJGPMSNWGES-HNNXBMFYSA-N -1 3 379.449 2.037 20 30 GEEDHM CN(Cc1cccc(C#N)c1)[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821613681 606315875 /nfs/dbraw/zinc/31/58/75/606315875.db2.gz YOYWJGPMSNWGES-HNNXBMFYSA-N -1 3 379.449 2.037 20 30 GEEDHM CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821938088 606390279 /nfs/dbraw/zinc/39/02/79/606390279.db2.gz WTMRUCGNANIOJG-FNORWQNLSA-N -1 3 375.435 2.196 20 30 GEEDHM CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821937699 606392000 /nfs/dbraw/zinc/39/20/00/606392000.db2.gz PIUSQDGRQSXZHP-HYXAFXHYSA-N -1 3 378.410 2.367 20 30 GEEDHM COc1cccc(C#CCOC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000821854412 606396760 /nfs/dbraw/zinc/39/67/60/606396760.db2.gz JAJRFAVFHKUFCW-AWEZNQCLSA-N -1 3 378.388 2.238 20 30 GEEDHM COc1cccc(C#CCOC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000821854412 606396761 /nfs/dbraw/zinc/39/67/61/606396761.db2.gz JAJRFAVFHKUFCW-AWEZNQCLSA-N -1 3 378.388 2.238 20 30 GEEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000822801423 606432901 /nfs/dbraw/zinc/43/29/01/606432901.db2.gz JDQODISHRJMVKG-IRXDYDNUSA-N -1 3 394.460 2.327 20 30 GEEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000822801423 606432903 /nfs/dbraw/zinc/43/29/03/606432903.db2.gz JDQODISHRJMVKG-IRXDYDNUSA-N -1 3 394.460 2.327 20 30 GEEDHM N#Cc1c(N)n[nH]c1CCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822818849 606442491 /nfs/dbraw/zinc/44/24/91/606442491.db2.gz HZYMRXYPPUGXFW-UHFFFAOYSA-N -1 3 377.334 2.107 20 30 GEEDHM N#Cc1c(N)n[nH]c1CCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822818849 606442493 /nfs/dbraw/zinc/44/24/93/606442493.db2.gz HZYMRXYPPUGXFW-UHFFFAOYSA-N -1 3 377.334 2.107 20 30 GEEDHM N#Cc1csc(C(=O)N2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000822842658 606535664 /nfs/dbraw/zinc/53/56/64/606535664.db2.gz SGVSHJVHGHHKJC-UHFFFAOYSA-N -1 3 393.476 2.148 20 30 GEEDHM N#Cc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)s1 ZINC000822823161 606598933 /nfs/dbraw/zinc/59/89/33/606598933.db2.gz LWAMAIMYMQJAFQ-UHFFFAOYSA-N -1 3 395.448 2.013 20 30 GEEDHM N#Cc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)s1 ZINC000822823161 606598934 /nfs/dbraw/zinc/59/89/34/606598934.db2.gz LWAMAIMYMQJAFQ-UHFFFAOYSA-N -1 3 395.448 2.013 20 30 GEEDHM N#CCCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccn1 ZINC000822810390 606617367 /nfs/dbraw/zinc/61/73/67/606617367.db2.gz IDEMHHWFUPLZRB-UHFFFAOYSA-N -1 3 387.407 2.228 20 30 GEEDHM N#CCCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1ccccn1 ZINC000822810390 606617369 /nfs/dbraw/zinc/61/73/69/606617369.db2.gz IDEMHHWFUPLZRB-UHFFFAOYSA-N -1 3 387.407 2.228 20 30 GEEDHM N#CCCN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)Cc1ccco1 ZINC000822806747 606698887 /nfs/dbraw/zinc/69/88/87/606698887.db2.gz SLTSPXYWXXLVPM-UHFFFAOYSA-N -1 3 385.815 2.467 20 30 GEEDHM N#CCCN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)Cc1ccco1 ZINC000822806747 606698888 /nfs/dbraw/zinc/69/88/88/606698888.db2.gz SLTSPXYWXXLVPM-UHFFFAOYSA-N -1 3 385.815 2.467 20 30 GEEDHM Cc1cc(C#N)ccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822161025 606792926 /nfs/dbraw/zinc/79/29/26/606792926.db2.gz NIICTNXVMYEXJM-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(C#N)ccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822161025 606792928 /nfs/dbraw/zinc/79/29/28/606792928.db2.gz NIICTNXVMYEXJM-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM O=S(=O)(NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccc(F)cc1 ZINC000823583703 606990974 /nfs/dbraw/zinc/99/09/74/606990974.db2.gz YQGXFPVMGNVGNL-UHFFFAOYSA-N -1 3 386.412 2.025 20 30 GEEDHM O=S(=O)(NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccc(F)cc1 ZINC000823583703 606990976 /nfs/dbraw/zinc/99/09/76/606990976.db2.gz YQGXFPVMGNVGNL-UHFFFAOYSA-N -1 3 386.412 2.025 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000822222853 607049991 /nfs/dbraw/zinc/04/99/91/607049991.db2.gz VVFZKKZHTPCAAL-UHFFFAOYSA-N -1 3 377.332 2.093 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000822222853 607049993 /nfs/dbraw/zinc/04/99/93/607049993.db2.gz VVFZKKZHTPCAAL-UHFFFAOYSA-N -1 3 377.332 2.093 20 30 GEEDHM C=CCN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000823903692 607814377 /nfs/dbraw/zinc/81/43/77/607814377.db2.gz HMCGQRMBZRDJNI-UHFFFAOYSA-N -1 3 383.477 2.329 20 30 GEEDHM C=CCN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000823903692 607814378 /nfs/dbraw/zinc/81/43/78/607814378.db2.gz HMCGQRMBZRDJNI-UHFFFAOYSA-N -1 3 383.477 2.329 20 30 GEEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)CCC(=O)N2C ZINC000823953728 607843375 /nfs/dbraw/zinc/84/33/75/607843375.db2.gz NIAOWQHVVNZXPQ-UHFFFAOYSA-N -1 3 375.436 2.290 20 30 GEEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCC(=O)N2C ZINC000823953728 607843376 /nfs/dbraw/zinc/84/33/76/607843376.db2.gz NIAOWQHVVNZXPQ-UHFFFAOYSA-N -1 3 375.436 2.290 20 30 GEEDHM N#Cc1ccc(OC[C@H](O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000826385988 607868679 /nfs/dbraw/zinc/86/86/79/607868679.db2.gz KPKAULLAPGOHQQ-QGZVFWFLSA-N -1 3 387.403 2.042 20 30 GEEDHM N#Cc1ccc(OC[C@H](O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000826385988 607868680 /nfs/dbraw/zinc/86/86/80/607868680.db2.gz KPKAULLAPGOHQQ-QGZVFWFLSA-N -1 3 387.403 2.042 20 30 GEEDHM C#CCOCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823855907 607893631 /nfs/dbraw/zinc/89/36/31/607893631.db2.gz DJPHUVBMFFLEQY-UHFFFAOYSA-N -1 3 377.404 2.424 20 30 GEEDHM C#CCOCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823855907 607893632 /nfs/dbraw/zinc/89/36/32/607893632.db2.gz DJPHUVBMFFLEQY-UHFFFAOYSA-N -1 3 377.404 2.424 20 30 GEEDHM C=C(C)[C@@H](CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)OCC ZINC000823874258 607920371 /nfs/dbraw/zinc/92/03/71/607920371.db2.gz UNOYSMRDNZDMNQ-CQSZACIVSA-N -1 3 384.396 2.331 20 30 GEEDHM C=C(C)[C@@H](CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)OCC ZINC000823874258 607920372 /nfs/dbraw/zinc/92/03/72/607920372.db2.gz UNOYSMRDNZDMNQ-CQSZACIVSA-N -1 3 384.396 2.331 20 30 GEEDHM C=C(C)[C@H](CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)OCC ZINC000823874257 607920481 /nfs/dbraw/zinc/92/04/81/607920481.db2.gz UNOYSMRDNZDMNQ-AWEZNQCLSA-N -1 3 384.396 2.331 20 30 GEEDHM C=C(C)[C@H](CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)OCC ZINC000823874257 607920482 /nfs/dbraw/zinc/92/04/82/607920482.db2.gz UNOYSMRDNZDMNQ-AWEZNQCLSA-N -1 3 384.396 2.331 20 30 GEEDHM C=C(C)[C@@H](CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)OCC ZINC000823873669 607920500 /nfs/dbraw/zinc/92/05/00/607920500.db2.gz OXPUKGCBAXGHOS-CQSZACIVSA-N -1 3 393.831 2.373 20 30 GEEDHM C=C(C)[C@@H](CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)OCC ZINC000823873669 607920501 /nfs/dbraw/zinc/92/05/01/607920501.db2.gz OXPUKGCBAXGHOS-CQSZACIVSA-N -1 3 393.831 2.373 20 30 GEEDHM C#CC[C@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823837860 607939885 /nfs/dbraw/zinc/93/98/85/607939885.db2.gz HUOOXKBBTYMRLD-SFHVURJKSA-N -1 3 376.420 2.309 20 30 GEEDHM C=CCCOCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823899330 607944502 /nfs/dbraw/zinc/94/45/02/607944502.db2.gz SIRPYQTZNXVHKV-UHFFFAOYSA-N -1 3 380.408 2.377 20 30 GEEDHM C=CCCOCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823899330 607944503 /nfs/dbraw/zinc/94/45/03/607944503.db2.gz SIRPYQTZNXVHKV-UHFFFAOYSA-N -1 3 380.408 2.377 20 30 GEEDHM N#CCc1ccc(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1 ZINC000826382114 607972525 /nfs/dbraw/zinc/97/25/25/607972525.db2.gz OXDWXJBSPPHHAN-UHFFFAOYSA-N -1 3 391.410 2.034 20 30 GEEDHM N#CCc1ccc(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1 ZINC000826382114 607972526 /nfs/dbraw/zinc/97/25/26/607972526.db2.gz OXDWXJBSPPHHAN-UHFFFAOYSA-N -1 3 391.410 2.034 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccc(CC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826118110 607978776 /nfs/dbraw/zinc/97/87/76/607978776.db2.gz XOCZLSKGMQIWMD-MRXNPFEDSA-N -1 3 377.360 2.004 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccc(CC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826118110 607978777 /nfs/dbraw/zinc/97/87/77/607978777.db2.gz XOCZLSKGMQIWMD-MRXNPFEDSA-N -1 3 377.360 2.004 20 30 GEEDHM N#CCc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000826382714 607979100 /nfs/dbraw/zinc/97/91/00/607979100.db2.gz RNBPWLDZAPPYPY-UHFFFAOYSA-N -1 3 396.794 2.382 20 30 GEEDHM N#CCc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000826382714 607979101 /nfs/dbraw/zinc/97/91/01/607979101.db2.gz RNBPWLDZAPPYPY-UHFFFAOYSA-N -1 3 396.794 2.382 20 30 GEEDHM C=C[C@H](CC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883589 607980997 /nfs/dbraw/zinc/98/09/97/607980997.db2.gz VAYANXXQOKPKIP-ACJLOTCBSA-N -1 3 377.404 2.296 20 30 GEEDHM C=C[C@H](CC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883589 607980998 /nfs/dbraw/zinc/98/09/98/607980998.db2.gz VAYANXXQOKPKIP-ACJLOTCBSA-N -1 3 377.404 2.296 20 30 GEEDHM C=C[C@H](CC(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883739 607981167 /nfs/dbraw/zinc/98/11/67/607981167.db2.gz ZGCJEUGSWWOIQZ-MRXNPFEDSA-N -1 3 391.431 2.386 20 30 GEEDHM C=C[C@H](CC(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883739 607981168 /nfs/dbraw/zinc/98/11/68/607981168.db2.gz ZGCJEUGSWWOIQZ-MRXNPFEDSA-N -1 3 391.431 2.386 20 30 GEEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc(OCC#N)c1 ZINC000825620582 608025569 /nfs/dbraw/zinc/02/55/69/608025569.db2.gz FCGIGTAZYJGFRS-UHFFFAOYSA-N -1 3 378.392 2.349 20 30 GEEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(OCC#N)c1 ZINC000825620582 608025570 /nfs/dbraw/zinc/02/55/70/608025570.db2.gz FCGIGTAZYJGFRS-UHFFFAOYSA-N -1 3 378.392 2.349 20 30 GEEDHM C=CCOc1cccnc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000823931796 608138401 /nfs/dbraw/zinc/13/84/01/608138401.db2.gz FGMGEUIXADJZPS-UHFFFAOYSA-N -1 3 396.407 2.104 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1CON=CC(=O)Nc1cc(F)ccc1C ZINC000826184981 608152086 /nfs/dbraw/zinc/15/20/86/608152086.db2.gz UBUXZZJSUKMVLT-UHFFFAOYSA-N -1 3 384.371 2.464 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1CON=CC(=O)Nc1cc(F)ccc1C ZINC000826184981 608152087 /nfs/dbraw/zinc/15/20/87/608152087.db2.gz UBUXZZJSUKMVLT-UHFFFAOYSA-N -1 3 384.371 2.464 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1CON=C(N)c1nccc2ccccc21 ZINC000826185047 608152401 /nfs/dbraw/zinc/15/24/01/608152401.db2.gz WSIUPCBZJDZICD-UHFFFAOYSA-N -1 3 375.392 2.261 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1CON=C(N)c1nccc2ccccc21 ZINC000826185047 608152402 /nfs/dbraw/zinc/15/24/02/608152402.db2.gz WSIUPCBZJDZICD-UHFFFAOYSA-N -1 3 375.392 2.261 20 30 GEEDHM N#Cc1ccc(C2=CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384676 608460439 /nfs/dbraw/zinc/46/04/39/608460439.db2.gz FGSCNXZKFAGADF-UHFFFAOYSA-N -1 3 385.431 2.466 20 30 GEEDHM N#Cc1ccc(NCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826385668 608479258 /nfs/dbraw/zinc/47/92/58/608479258.db2.gz WETSEEUFFUAXFL-UHFFFAOYSA-N -1 3 385.431 2.466 20 30 GEEDHM N#Cc1ccc(NCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385668 608479260 /nfs/dbraw/zinc/47/92/60/608479260.db2.gz WETSEEUFFUAXFL-UHFFFAOYSA-N -1 3 385.431 2.466 20 30 GEEDHM N#C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1nccn1Cc1ccccc1 ZINC000826379590 608494884 /nfs/dbraw/zinc/49/48/84/608494884.db2.gz WHSRIXQDRJXZIF-QGZVFWFLSA-N -1 3 384.403 2.357 20 30 GEEDHM N#C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nccn1Cc1ccccc1 ZINC000826379590 608494885 /nfs/dbraw/zinc/49/48/85/608494885.db2.gz WHSRIXQDRJXZIF-QGZVFWFLSA-N -1 3 384.403 2.357 20 30 GEEDHM C=CCN1C(=O)C(=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)c2ccccc21 ZINC000823920017 608536546 /nfs/dbraw/zinc/53/65/46/608536546.db2.gz WROKGYTVJAZMIQ-UHFFFAOYSA-N -1 3 380.799 2.264 20 30 GEEDHM C=CCN1C(=O)C(=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)c2ccccc21 ZINC000823920017 608536547 /nfs/dbraw/zinc/53/65/47/608536547.db2.gz WROKGYTVJAZMIQ-UHFFFAOYSA-N -1 3 380.799 2.264 20 30 GEEDHM C=CC[C@H](CO)CNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000823888013 608562873 /nfs/dbraw/zinc/56/28/73/608562873.db2.gz CVGLZVLZALNSBJ-INIZCTEOSA-N -1 3 393.447 2.360 20 30 GEEDHM C=CC[C@H](CO)CNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000823888013 608562874 /nfs/dbraw/zinc/56/28/74/608562874.db2.gz CVGLZVLZALNSBJ-INIZCTEOSA-N -1 3 393.447 2.360 20 30 GEEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824754087 608571387 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COc1ccc(O)c(C=N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826210180 609504873 /nfs/dbraw/zinc/50/48/73/609504873.db2.gz IDBLNSQMFYOFOZ-WCEBZYJUSA-N -1 3 392.419 2.195 20 30 GEEDHM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470534 609521206 /nfs/dbraw/zinc/52/12/06/609521206.db2.gz JHKBZFMBWWMLOS-BUXKBTBVSA-N -1 3 384.440 2.306 20 30 GEEDHM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470534 609521207 /nfs/dbraw/zinc/52/12/07/609521207.db2.gz JHKBZFMBWWMLOS-BUXKBTBVSA-N -1 3 384.440 2.306 20 30 GEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000825957848 609521761 /nfs/dbraw/zinc/52/17/61/609521761.db2.gz IAQUEBOUMKYRAQ-IBGZPJMESA-N -1 3 384.440 2.087 20 30 GEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000825957848 609521762 /nfs/dbraw/zinc/52/17/62/609521762.db2.gz IAQUEBOUMKYRAQ-IBGZPJMESA-N -1 3 384.440 2.087 20 30 GEEDHM Cc1c(Cl)cnc(N2CCN(c3ccccc3C#N)CC2)c1-c1nnn[n-]1 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391.269 2.498 20 30 GEEDHM O=C(COc1ccc2ccccc2c1Br)N[C@@H]1CCN([O-])C1=O ZINC000816691391 653690571 /nfs/dbraw/zinc/69/05/71/653690571.db2.gz QHCVGGSIUZLEFY-GFCCVEGCSA-N -1 3 379.210 2.087 20 30 GEEDHM O=C(COc1ccc2cc(Br)ccc2c1)N[C@@H]1CCN([O-])C1=O ZINC000816693409 653690626 /nfs/dbraw/zinc/69/06/26/653690626.db2.gz KEELIVRMOTYJBD-CQSZACIVSA-N -1 3 379.210 2.087 20 30 GEEDHM C#CC[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)c(F)c2)C1 ZINC000863418579 653711387 /nfs/dbraw/zinc/71/13/87/653711387.db2.gz XNLUZOYPFUIIMB-ZDUSSCGKSA-N -1 3 388.486 2.011 20 30 GEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCc1ccc(Cl)c(F)c1 ZINC000785644596 653713874 /nfs/dbraw/zinc/71/38/74/653713874.db2.gz XDWAHUVHSNCQFJ-UHFFFAOYSA-N -1 3 382.800 2.261 20 30 GEEDHM COc1ccc(Br)c(CNN=Cc2c([O-])c(C)ncc2CO)c1 ZINC000788728909 653764120 /nfs/dbraw/zinc/76/41/20/653764120.db2.gz GQYSASAMNQVUHG-UHFFFAOYSA-N -1 3 380.242 2.483 20 30 GEEDHM Cc1c(C(=O)N[C@@H]2CCCN([O-])C2=O)cnn1-c1cccc(Br)c1 ZINC000820471330 653775048 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O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(I)c(Cl)c1 ZINC000848136912 653960346 /nfs/dbraw/zinc/96/03/46/653960346.db2.gz UHIGAJRWWZLASJ-JTQLQIEISA-N -1 3 394.596 2.055 20 30 GEEDHM O=C(CCc1nc2cc(Br)ccc2s1)N[C@@H]1CCCN([O-])C1=O ZINC000848136989 653960498 /nfs/dbraw/zinc/96/04/98/653960498.db2.gz VVEAFKQIAKUJKC-SNVBAGLBSA-N -1 3 398.282 2.488 20 30 GEEDHM C#CC1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)c(F)c2)CC1 ZINC000828114533 654024111 /nfs/dbraw/zinc/02/41/11/654024111.db2.gz ABVKUPJHMHMLEM-UHFFFAOYSA-N -1 3 388.486 2.011 20 30 GEEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000797841479 654044017 /nfs/dbraw/zinc/04/40/17/654044017.db2.gz MUPCBLBJCXJWLW-ZUZCIYMTSA-N -1 3 375.393 2.011 20 30 GEEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000797841161 654044039 /nfs/dbraw/zinc/04/40/39/654044039.db2.gz JURDQPIEXZCQTL-BXKDBHETSA-N -1 3 399.943 2.065 20 30 GEEDHM C[C@H](C#N)CN(C)S(=O)(=O)[N-]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000800057533 654126688 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/nfs/dbraw/zinc/52/31/59/532523159.db2.gz FDSZFHGUSGOVCM-QWHCGFSZSA-N -1 3 377.491 2.404 20 30 GEEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)[C@H]1CN(C)CCO1 ZINC000594774499 532526850 /nfs/dbraw/zinc/52/68/50/532526850.db2.gz FQKNEWOSXGIIFJ-SWLSCSKDSA-N -1 3 379.507 2.079 20 30 GEEDHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000283511651 532545093 /nfs/dbraw/zinc/54/50/93/532545093.db2.gz KPFSPONAVYVMEG-SNVBAGLBSA-N -1 3 375.288 2.396 20 30 GEEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)ccc1C(=O)OC ZINC000595329863 532556230 /nfs/dbraw/zinc/55/62/30/532556230.db2.gz XUEPEAGGORKWHH-SNVBAGLBSA-N -1 3 375.244 2.206 20 30 GEEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1noc(C2CC2)n1 ZINC000565825879 532580036 /nfs/dbraw/zinc/58/00/36/532580036.db2.gz STBXQUPHGDREIU-UHFFFAOYSA-N -1 3 383.227 2.060 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000435434409 532618215 /nfs/dbraw/zinc/61/82/15/532618215.db2.gz XSAHBTGBTVQSML-UHFFFAOYSA-N -1 3 390.895 2.025 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCOCC2)s1 ZINC000435447731 532618875 /nfs/dbraw/zinc/61/88/75/532618875.db2.gz QVZAQHPTJCESFM-ZDUSSCGKSA-N -1 3 383.520 2.033 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCNc2ccc(C(F)(F)F)cn2)s1 ZINC000435444744 532619080 /nfs/dbraw/zinc/61/90/80/532619080.db2.gz SKDQYGZOCNWNJL-UHFFFAOYSA-N -1 3 390.412 2.814 20 30 GEEDHM CCC(C#N)(CC)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000599901273 532670591 /nfs/dbraw/zinc/67/05/91/532670591.db2.gz ZNAAKGACGJHEKY-UHFFFAOYSA-N -1 3 375.853 2.204 20 30 GEEDHM CCOC(=O)c1cc([N-]C(=O)c2cc(C#N)cs2)cc(S(C)(=O)=O)c1 ZINC000439851025 532702734 /nfs/dbraw/zinc/70/27/34/532702734.db2.gz NZJALWQTVHUFAJ-UHFFFAOYSA-N -1 3 378.431 2.452 20 30 GEEDHM CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000441979050 532727279 /nfs/dbraw/zinc/72/72/79/532727279.db2.gz PORAIBNJUAXDQT-GFCCVEGCSA-N -1 3 391.490 2.146 20 30 GEEDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CN1C1CC1 ZINC000577081417 532732208 /nfs/dbraw/zinc/73/22/08/532732208.db2.gz LQEPYQFAEPCMMH-GXFFZTMASA-N -1 3 384.299 2.224 20 30 GEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ccc2c(c1)OCO2 ZINC000443014335 532739462 /nfs/dbraw/zinc/73/94/62/532739462.db2.gz OVHGNUQMCWDXLT-UHFFFAOYSA-N -1 3 380.809 2.298 20 30 GEEDHM C=CCNc1ncc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000509059265 532766347 /nfs/dbraw/zinc/76/63/47/532766347.db2.gz ZWVVFTOKXPFUHH-UHFFFAOYSA-N -1 3 378.255 2.247 20 30 GEEDHM CN1CCCC1=NS(=O)(=O)c1cccc(NC([O-])=NOC/C=C/Cl)c1 ZINC000289686555 532863067 /nfs/dbraw/zinc/86/30/67/532863067.db2.gz CQLCXNUYIPYDRF-GQASMQSLSA-N -1 3 386.861 2.305 20 30 GEEDHM CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)[N-]OC/C=C/Cl)c1 ZINC000289686555 532863069 /nfs/dbraw/zinc/86/30/69/532863069.db2.gz CQLCXNUYIPYDRF-GQASMQSLSA-N -1 3 386.861 2.305 20 30 GEEDHM C#CCSCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000275117248 532865172 /nfs/dbraw/zinc/86/51/72/532865172.db2.gz XRSBCUGXSXPTIE-CYBMUJFWSA-N -1 3 389.926 2.400 20 30 GEEDHM CCn1cc([C@H]2OCC[C@@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cn1 ZINC000275228476 532869243 /nfs/dbraw/zinc/86/92/43/532869243.db2.gz CYHLKFWMQZQNOF-GOEBONIOSA-N -1 3 380.857 2.237 20 30 GEEDHM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416444447 532877384 /nfs/dbraw/zinc/87/73/84/532877384.db2.gz YEPVJIGMEAMEHH-SNVBAGLBSA-N -1 3 389.271 2.188 20 30 GEEDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1 ZINC000364107024 532903339 /nfs/dbraw/zinc/90/33/39/532903339.db2.gz OCFMJJOLDYTYHK-LLVKDONJSA-N -1 3 380.861 2.085 20 30 GEEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=O)Nc1sccc1C#N ZINC000737523240 598826702 /nfs/dbraw/zinc/82/67/02/598826702.db2.gz IDHYMYSABKHKHC-UHFFFAOYSA-N -1 3 391.420 2.006 20 30 GEEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=O)Nc1sccc1C#N ZINC000737523240 598826704 /nfs/dbraw/zinc/82/67/04/598826704.db2.gz IDHYMYSABKHKHC-UHFFFAOYSA-N -1 3 391.420 2.006 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C[C@@H](c2ccccn2)CC1=O ZINC000735426254 598828166 /nfs/dbraw/zinc/82/81/66/598828166.db2.gz NBXJVPHBTVYVJA-SFHVURJKSA-N -1 3 389.463 2.223 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C[C@@H](c2ccccn2)CC1=O ZINC000735426254 598828167 /nfs/dbraw/zinc/82/81/67/598828167.db2.gz NBXJVPHBTVYVJA-SFHVURJKSA-N -1 3 389.463 2.223 20 30 GEEDHM Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737346999 598845305 /nfs/dbraw/zinc/84/53/05/598845305.db2.gz KDDMVVOZMJMCSG-UHFFFAOYSA-N -1 3 386.412 2.423 20 30 GEEDHM Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737346999 598845306 /nfs/dbraw/zinc/84/53/06/598845306.db2.gz KDDMVVOZMJMCSG-UHFFFAOYSA-N -1 3 386.412 2.423 20 30 GEEDHM C=CCCCCCN(C)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000735408060 598852304 /nfs/dbraw/zinc/85/23/04/598852304.db2.gz FGJJNPLIBGNFQI-HXUWFJFHSA-N -1 3 397.483 2.269 20 30 GEEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736040886 598881360 /nfs/dbraw/zinc/88/13/60/598881360.db2.gz RSRIPXQEHYQOTN-ZDUSSCGKSA-N -1 3 379.376 2.128 20 30 GEEDHM C=CCOc1ccccc1CN[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000735436890 598883877 /nfs/dbraw/zinc/88/38/77/598883877.db2.gz SJXJNEQGEAJQBR-SFHVURJKSA-N -1 3 379.420 2.435 20 30 GEEDHM C=CCOc1ccccc1CN[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000735436890 598883879 /nfs/dbraw/zinc/88/38/79/598883879.db2.gz SJXJNEQGEAJQBR-SFHVURJKSA-N -1 3 379.420 2.435 20 30 GEEDHM CON=Cc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737025099 598887010 /nfs/dbraw/zinc/88/70/10/598887010.db2.gz WGCFQTXZOMZKQD-ZDUSSCGKSA-N -1 3 381.392 2.471 20 30 GEEDHM CON=Cc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737025099 598887012 /nfs/dbraw/zinc/88/70/12/598887012.db2.gz WGCFQTXZOMZKQD-ZDUSSCGKSA-N -1 3 381.392 2.471 20 30 GEEDHM C=CCNC(=O)NC(=O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735431666 598900996 /nfs/dbraw/zinc/90/09/96/598900996.db2.gz ICAGHINCLDGOGM-UHFFFAOYSA-N -1 3 395.448 2.033 20 30 GEEDHM C=CCNC(=O)NC(=O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735431666 598900998 /nfs/dbraw/zinc/90/09/98/598900998.db2.gz ICAGHINCLDGOGM-UHFFFAOYSA-N -1 3 395.448 2.033 20 30 GEEDHM N#C[C@H]1CN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCO1 ZINC000737678953 598907094 /nfs/dbraw/zinc/90/70/94/598907094.db2.gz MYYDZIRVCDNZPG-AWEZNQCLSA-N -1 3 395.448 2.029 20 30 GEEDHM COc1ccc(-n2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)n2)cc1 ZINC000737065884 598914877 /nfs/dbraw/zinc/91/48/77/598914877.db2.gz QHYNDWLFGZKLFP-UHFFFAOYSA-N -1 3 386.375 2.185 20 30 GEEDHM COc1ccc(-n2ccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)n2)cc1 ZINC000737065884 598914880 /nfs/dbraw/zinc/91/48/80/598914880.db2.gz QHYNDWLFGZKLFP-UHFFFAOYSA-N -1 3 386.375 2.185 20 30 GEEDHM COc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1OC ZINC000737086924 598916519 /nfs/dbraw/zinc/91/65/19/598916519.db2.gz KISXFQSLJVWYCV-UHFFFAOYSA-N -1 3 378.392 2.327 20 30 GEEDHM COc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1OC ZINC000737086924 598916520 /nfs/dbraw/zinc/91/65/20/598916520.db2.gz KISXFQSLJVWYCV-UHFFFAOYSA-N -1 3 378.392 2.327 20 30 GEEDHM Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)CC2=O)cc1 ZINC000737353995 598917029 /nfs/dbraw/zinc/91/70/29/598917029.db2.gz ZHQRJTOONAOUGL-CQSZACIVSA-N -1 3 387.403 2.038 20 30 GEEDHM Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)CC2=O)cc1 ZINC000737353995 598917031 /nfs/dbraw/zinc/91/70/31/598917031.db2.gz ZHQRJTOONAOUGL-CQSZACIVSA-N -1 3 387.403 2.038 20 30 GEEDHM COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737159315 598920235 /nfs/dbraw/zinc/92/02/35/598920235.db2.gz MRVMSNCPKWCMAK-UHFFFAOYSA-N -1 3 386.375 2.185 20 30 GEEDHM COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737159315 598920237 /nfs/dbraw/zinc/92/02/37/598920237.db2.gz MRVMSNCPKWCMAK-UHFFFAOYSA-N -1 3 386.375 2.185 20 30 GEEDHM N#C[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCN1Cc1ccccc1 ZINC000737677367 598920891 /nfs/dbraw/zinc/92/08/91/598920891.db2.gz CJDKXRGJUGYXMH-SFHVURJKSA-N -1 3 388.435 2.109 20 30 GEEDHM N#C[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCN1Cc1ccccc1 ZINC000737677367 598920893 /nfs/dbraw/zinc/92/08/93/598920893.db2.gz CJDKXRGJUGYXMH-SFHVURJKSA-N -1 3 388.435 2.109 20 30 GEEDHM C=C(COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C(=O)OCC ZINC000735402434 598921242 /nfs/dbraw/zinc/92/12/42/598921242.db2.gz VMNLGEGHYHRKMX-UHFFFAOYSA-N -1 3 398.375 2.315 20 30 GEEDHM C=C(COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C(=O)OCC ZINC000735402434 598921243 /nfs/dbraw/zinc/92/12/43/598921243.db2.gz VMNLGEGHYHRKMX-UHFFFAOYSA-N -1 3 398.375 2.315 20 30 GEEDHM COc1cc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OC ZINC000821708715 607253904 /nfs/dbraw/zinc/25/39/04/607253904.db2.gz XBKIETVKGQMXHC-UHFFFAOYSA-N -1 3 382.424 2.406 20 30 GEEDHM COc1cc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OC ZINC000821708715 607253905 /nfs/dbraw/zinc/25/39/05/607253905.db2.gz XBKIETVKGQMXHC-UHFFFAOYSA-N -1 3 382.424 2.406 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccc(C#N)cc1Cl ZINC000737225248 598996972 /nfs/dbraw/zinc/99/69/72/598996972.db2.gz ANBVSQYGITXJCK-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccc(C#N)cc1Cl ZINC000737225248 598996973 /nfs/dbraw/zinc/99/69/73/598996973.db2.gz ANBVSQYGITXJCK-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM C=CCOc1ccccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000735436854 599004705 /nfs/dbraw/zinc/00/47/05/599004705.db2.gz RWBXGYPARDWVCW-UHFFFAOYSA-N -1 3 385.449 2.218 20 30 GEEDHM C=CCOc1ccccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735436854 599004706 /nfs/dbraw/zinc/00/47/06/599004706.db2.gz RWBXGYPARDWVCW-UHFFFAOYSA-N -1 3 385.449 2.218 20 30 GEEDHM C[C@H]1Sc2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc2NC1=O ZINC000736300759 599113014 /nfs/dbraw/zinc/11/30/14/599113014.db2.gz FMOBIMBTOIBPDR-SECBINFHSA-N -1 3 391.416 2.423 20 30 GEEDHM C[C@H]1Sc2ccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc2NC1=O ZINC000736300759 599113015 /nfs/dbraw/zinc/11/30/15/599113015.db2.gz FMOBIMBTOIBPDR-SECBINFHSA-N -1 3 391.416 2.423 20 30 GEEDHM CC(C)(C#N)CCN1CCN(c2oc(-c3ccco3)nc2-c2nnn[n-]2)CC1 ZINC000735572222 599122848 /nfs/dbraw/zinc/12/28/48/599122848.db2.gz UIYWNRXDLNUMFR-UHFFFAOYSA-N -1 3 382.428 2.177 20 30 GEEDHM CC(C)(C#N)CCN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000735572222 599122850 /nfs/dbraw/zinc/12/28/50/599122850.db2.gz UIYWNRXDLNUMFR-UHFFFAOYSA-N -1 3 382.428 2.177 20 30 GEEDHM COc1ccc(C=C2COc3cc4c(cc3C2=O)OCO4)cc1-c1nnn[n-]1 ZINC000737084815 599155787 /nfs/dbraw/zinc/15/57/87/599155787.db2.gz WHXZIHMXUNKRFA-WCIBSUBMSA-N -1 3 378.344 2.263 20 30 GEEDHM COc1ccc(C=C2COc3cc4c(cc3C2=O)OCO4)cc1-c1nn[n-]n1 ZINC000737084815 599155789 /nfs/dbraw/zinc/15/57/89/599155789.db2.gz WHXZIHMXUNKRFA-WCIBSUBMSA-N -1 3 378.344 2.263 20 30 GEEDHM N#Cc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1-c1nnn[n-]1 ZINC000737715529 599193021 /nfs/dbraw/zinc/19/30/21/599193021.db2.gz AEHHMTJPOQVLQX-UHFFFAOYSA-N -1 3 389.375 2.065 20 30 GEEDHM N#Cc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1-c1nn[n-]n1 ZINC000737715529 599193024 /nfs/dbraw/zinc/19/30/24/599193024.db2.gz AEHHMTJPOQVLQX-UHFFFAOYSA-N -1 3 389.375 2.065 20 30 GEEDHM O=C([O-])C[C@@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000819375019 597089459 /nfs/dbraw/zinc/08/94/59/597089459.db2.gz KVSDKWAPMBAPCX-HNNXBMFYSA-N -1 3 382.382 2.360 20 30 GEEDHM N#CCN(C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000822810343 607301746 /nfs/dbraw/zinc/30/17/46/607301746.db2.gz FYWGEKDTZFCIAL-UHFFFAOYSA-N -1 3 381.440 2.270 20 30 GEEDHM N#CCN(C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000822810343 607301747 /nfs/dbraw/zinc/30/17/47/607301747.db2.gz FYWGEKDTZFCIAL-UHFFFAOYSA-N -1 3 381.440 2.270 20 30 GEEDHM N#Cc1nc(N)n(Cc2ccc(Oc3ccccc3)c(F)c2)c1-c1nnn[n-]1 ZINC000822846323 607326941 /nfs/dbraw/zinc/32/69/41/607326941.db2.gz WOODGRCZLQBISM-UHFFFAOYSA-N -1 3 376.355 2.497 20 30 GEEDHM N#Cc1nc(N)n(Cc2ccc(Oc3ccccc3)c(F)c2)c1-c1nn[n-]n1 ZINC000822846323 607326942 /nfs/dbraw/zinc/32/69/42/607326942.db2.gz WOODGRCZLQBISM-UHFFFAOYSA-N -1 3 376.355 2.497 20 30 GEEDHM N#Cc1ccc(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737710485 598298020 /nfs/dbraw/zinc/29/80/20/598298020.db2.gz AMMUESCSNUOEAO-SFHVURJKSA-N -1 3 391.410 2.163 20 30 GEEDHM C#CCOc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000735387884 598428252 /nfs/dbraw/zinc/42/82/52/598428252.db2.gz JLDATXDWOLXBFN-UHFFFAOYSA-N -1 3 390.808 2.300 20 30 GEEDHM C#CCOc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000735387884 598428253 /nfs/dbraw/zinc/42/82/53/598428253.db2.gz JLDATXDWOLXBFN-UHFFFAOYSA-N -1 3 390.808 2.300 20 30 GEEDHM CCOc1ccc(C=NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(O)c1 ZINC000736643877 598439268 /nfs/dbraw/zinc/43/92/68/598439268.db2.gz OCZAOSIYEKGJJI-CIAFOILYSA-N -1 3 393.451 2.454 20 30 GEEDHM CC(C)Oc1ccc(C(=O)CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC000735905444 598568431 /nfs/dbraw/zinc/56/84/31/598568431.db2.gz IVSAHIWFFOPLTE-UHFFFAOYSA-N -1 3 395.448 2.478 20 30 GEEDHM CC(C)Oc1ccc(C(=O)CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC000735905444 598568432 /nfs/dbraw/zinc/56/84/32/598568432.db2.gz IVSAHIWFFOPLTE-UHFFFAOYSA-N -1 3 395.448 2.478 20 30 GEEDHM COc1cc(C#N)ccc1OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737034251 598576366 /nfs/dbraw/zinc/57/63/66/598576366.db2.gz HPHVBTFKRODURO-MRXNPFEDSA-N -1 3 390.403 2.321 20 30 GEEDHM N#Cc1cc(NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1F ZINC000737709684 598628213 /nfs/dbraw/zinc/62/82/13/598628213.db2.gz PQUWGWSKFOTLCN-UHFFFAOYSA-N -1 3 392.398 2.232 20 30 GEEDHM N#Cc1cc(NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1F ZINC000737709684 598628215 /nfs/dbraw/zinc/62/82/15/598628215.db2.gz PQUWGWSKFOTLCN-UHFFFAOYSA-N -1 3 392.398 2.232 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(C(=O)N(C)C)c1 ZINC000735420899 598656459 /nfs/dbraw/zinc/65/64/59/598656459.db2.gz VLNMTIMMMIRDFJ-UHFFFAOYSA-N -1 3 390.447 2.397 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(C(=O)N(C)C)c1 ZINC000735420899 598656461 /nfs/dbraw/zinc/65/64/61/598656461.db2.gz VLNMTIMMMIRDFJ-UHFFFAOYSA-N -1 3 390.447 2.397 20 30 GEEDHM C#Cc1cccc(N(CC)C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000735390972 598660034 /nfs/dbraw/zinc/66/00/34/598660034.db2.gz JLGICCFKOWDOHB-UHFFFAOYSA-N -1 3 377.404 2.289 20 30 GEEDHM C#Cc1cccc(N(CC)C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000735390972 598660035 /nfs/dbraw/zinc/66/00/35/598660035.db2.gz JLGICCFKOWDOHB-UHFFFAOYSA-N -1 3 377.404 2.289 20 30 GEEDHM C=CCOc1ccccc1CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735436599 598710632 /nfs/dbraw/zinc/71/06/32/598710632.db2.gz OPLCUUTVIRBFSZ-UHFFFAOYSA-N -1 3 385.449 2.051 20 30 GEEDHM C=CCOc1ccccc1CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735436599 598710633 /nfs/dbraw/zinc/71/06/33/598710633.db2.gz OPLCUUTVIRBFSZ-UHFFFAOYSA-N -1 3 385.449 2.051 20 30 GEEDHM N#Cc1ccc(SCC(=O)OCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737721702 598714144 /nfs/dbraw/zinc/71/41/44/598714144.db2.gz BZFKPQLASVRHBP-UHFFFAOYSA-N -1 3 381.417 2.453 20 30 GEEDHM N#Cc1ccc(SCC(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737721702 598714146 /nfs/dbraw/zinc/71/41/46/598714146.db2.gz BZFKPQLASVRHBP-UHFFFAOYSA-N -1 3 381.417 2.453 20 30 GEEDHM N#Cc1ccsc1C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737729002 598746350 /nfs/dbraw/zinc/74/63/50/598746350.db2.gz YLDMLAJDPGNDFE-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000619679888 599323892 /nfs/dbraw/zinc/32/38/92/599323892.db2.gz FRNROBSUWQBQGD-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000619679888 599323895 /nfs/dbraw/zinc/32/38/95/599323895.db2.gz FRNROBSUWQBQGD-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM N#Cc1ccc(C(=O)COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384272 607372538 /nfs/dbraw/zinc/37/25/38/607372538.db2.gz OFUYCNUBLJEZOQ-UHFFFAOYSA-N -1 3 379.401 2.257 20 30 GEEDHM N#Cc1ccc(C(=O)COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384272 607372540 /nfs/dbraw/zinc/37/25/40/607372540.db2.gz OFUYCNUBLJEZOQ-UHFFFAOYSA-N -1 3 379.401 2.257 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc3ccc(C#N)cn23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202390 599463340 /nfs/dbraw/zinc/46/33/40/599463340.db2.gz LWMMKMPNBBQRPW-WAYWQWQTSA-N -1 3 384.403 2.338 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc3ccc(C#N)cn23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202390 599463341 /nfs/dbraw/zinc/46/33/41/599463341.db2.gz LWMMKMPNBBQRPW-WAYWQWQTSA-N -1 3 384.403 2.338 20 30 GEEDHM COc1ccc2c(c1)C(=NOCCCOc1ccc(-c3nn[n-]n3)cc1)C(=O)N2 ZINC000737115288 599476359 /nfs/dbraw/zinc/47/63/59/599476359.db2.gz NBRHACMQJWVQGP-UHFFFAOYSA-N -1 3 394.391 2.017 20 30 GEEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCN(c2ccc(C#N)cn2)CC1 ZINC000822336927 599491032 /nfs/dbraw/zinc/49/10/32/599491032.db2.gz UODIGZHRPQYTKR-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCN(c2ccc(C#N)cn2)CC1 ZINC000822336927 599491035 /nfs/dbraw/zinc/49/10/35/599491035.db2.gz UODIGZHRPQYTKR-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820316088 599521057 /nfs/dbraw/zinc/52/10/57/599521057.db2.gz SHSFMCVMRGCSQV-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820316088 599521060 /nfs/dbraw/zinc/52/10/60/599521060.db2.gz SHSFMCVMRGCSQV-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820313065 599521223 /nfs/dbraw/zinc/52/12/23/599521223.db2.gz AAKCDTZFLMQNFL-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820313065 599521225 /nfs/dbraw/zinc/52/12/25/599521225.db2.gz AAKCDTZFLMQNFL-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM C=CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819751138 599595897 /nfs/dbraw/zinc/59/58/97/599595897.db2.gz RNDYIDUGODKHMZ-UHFFFAOYSA-N -1 3 382.355 2.039 20 30 GEEDHM C=CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819751138 599595899 /nfs/dbraw/zinc/59/58/99/599595899.db2.gz RNDYIDUGODKHMZ-UHFFFAOYSA-N -1 3 382.355 2.039 20 30 GEEDHM C=CCN(CC=C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819739796 599598612 /nfs/dbraw/zinc/59/86/12/599598612.db2.gz HZDHWXWYXYIHLA-UHFFFAOYSA-N -1 3 380.330 2.025 20 30 GEEDHM C=CCN(CC=C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819739796 599598613 /nfs/dbraw/zinc/59/86/13/599598613.db2.gz HZDHWXWYXYIHLA-UHFFFAOYSA-N -1 3 380.330 2.025 20 30 GEEDHM N#CCc1ccccc1C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822815298 599652083 /nfs/dbraw/zinc/65/20/83/599652083.db2.gz OOJYILCSLSTXCT-UHFFFAOYSA-N -1 3 387.359 2.340 20 30 GEEDHM N#CCc1ccccc1C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822815298 599652084 /nfs/dbraw/zinc/65/20/84/599652084.db2.gz OOJYILCSLSTXCT-UHFFFAOYSA-N -1 3 387.359 2.340 20 30 GEEDHM N#Cc1ccc(-c2nnc(COC(=O)Cc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822823661 599659455 /nfs/dbraw/zinc/65/94/55/599659455.db2.gz XBSCQJMSZZOMIS-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM N#Cc1ccc(-c2nnc(COC(=O)Cc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000822823661 599659456 /nfs/dbraw/zinc/65/94/56/599659456.db2.gz XBSCQJMSZZOMIS-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826209993 607399209 /nfs/dbraw/zinc/39/92/09/607399209.db2.gz ZYBSLCYZNISTIC-INIZCTEOSA-N -1 3 376.376 2.145 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000826174915 607428429 /nfs/dbraw/zinc/42/84/29/607428429.db2.gz MZZIKUPEKZZARE-MRXNPFEDSA-N -1 3 392.419 2.415 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000826174915 607428431 /nfs/dbraw/zinc/42/84/31/607428431.db2.gz MZZIKUPEKZZARE-MRXNPFEDSA-N -1 3 392.419 2.415 20 30 GEEDHM C=CCC[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734566 607440459 /nfs/dbraw/zinc/44/04/59/607440459.db2.gz RKAQCXKTYAXMCV-GOSISDBHSA-N -1 3 390.447 2.420 20 30 GEEDHM C=CCC[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734566 607440460 /nfs/dbraw/zinc/44/04/60/607440460.db2.gz RKAQCXKTYAXMCV-GOSISDBHSA-N -1 3 390.447 2.420 20 30 GEEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000827718102 601301814 /nfs/dbraw/zinc/30/18/14/601301814.db2.gz OSZKMQRJUKFJCK-UGSOOPFHSA-N -1 3 387.461 2.285 20 30 GEEDHM COc1ccc(CNC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826196226 607592218 /nfs/dbraw/zinc/59/22/18/607592218.db2.gz VAMULHCORKKZLV-UHFFFAOYSA-N -1 3 392.419 2.221 20 30 GEEDHM COc1ccc(CNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826196226 607592220 /nfs/dbraw/zinc/59/22/20/607592220.db2.gz VAMULHCORKKZLV-UHFFFAOYSA-N -1 3 392.419 2.221 20 30 GEEDHM CC(C)CCN(CCC#N)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824249782 607607965 /nfs/dbraw/zinc/60/79/65/607607965.db2.gz UJRXUYUUMFPAJM-UHFFFAOYSA-N -1 3 382.877 2.471 20 30 GEEDHM CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824085135 607609449 /nfs/dbraw/zinc/60/94/49/607609449.db2.gz CCPLABCBORICNS-UHFFFAOYSA-N -1 3 382.877 2.471 20 30 GEEDHM COc1ccc(C=Nn2c(C)csc2=NC[C@@H]2CCCO2)cc1-c1nnn[n-]1 ZINC000826190416 607634163 /nfs/dbraw/zinc/63/41/63/607634163.db2.gz AIDWDORXMXLCJF-AWEZNQCLSA-N -1 3 399.480 2.009 20 30 GEEDHM COc1ccc(C=Nn2c(C)csc2=NC[C@@H]2CCCO2)cc1-c1nn[n-]n1 ZINC000826190416 607634164 /nfs/dbraw/zinc/63/41/64/607634164.db2.gz AIDWDORXMXLCJF-AWEZNQCLSA-N -1 3 399.480 2.009 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826256902 607650702 /nfs/dbraw/zinc/65/07/02/607650702.db2.gz FUWXZDSWZQAOQE-UHFFFAOYSA-N -1 3 387.447 2.005 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826256902 607650704 /nfs/dbraw/zinc/65/07/04/607650704.db2.gz FUWXZDSWZQAOQE-UHFFFAOYSA-N -1 3 387.447 2.005 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCN2CCCc3ccccc32)nc1N ZINC000826383506 607657072 /nfs/dbraw/zinc/65/70/72/607657072.db2.gz DRAHBGYXVWKDOD-UHFFFAOYSA-N -1 3 378.465 2.260 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCN2CCCc3ccccc32)nc1N ZINC000826383506 607657074 /nfs/dbraw/zinc/65/70/74/607657074.db2.gz DRAHBGYXVWKDOD-UHFFFAOYSA-N -1 3 378.465 2.260 20 30 GEEDHM C[C@@H]1C[C@H](CNC(=O)[O-])CN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000833829452 605895438 /nfs/dbraw/zinc/89/54/38/605895438.db2.gz GCIJHMPKGOLOIY-UMVBOHGHSA-N -1 3 379.420 2.202 20 30 GEEDHM N#Cc1cccc(CC(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822837652 606141677 /nfs/dbraw/zinc/14/16/77/606141677.db2.gz QHEMZVDZNYWDCX-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM N#Cc1cccc(CC(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822837652 606141679 /nfs/dbraw/zinc/14/16/79/606141679.db2.gz QHEMZVDZNYWDCX-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nn(C)cc1C#N ZINC000820086916 606154794 /nfs/dbraw/zinc/15/47/94/606154794.db2.gz IHYJGGFWQPEBRS-UHFFFAOYSA-N -1 3 379.428 2.162 20 30 GEEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nn(C)cc1C#N ZINC000820086916 606154795 /nfs/dbraw/zinc/15/47/95/606154795.db2.gz IHYJGGFWQPEBRS-UHFFFAOYSA-N -1 3 379.428 2.162 20 30 GEEDHM C#Cc1cccc(N(CC)CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819709848 606186624 /nfs/dbraw/zinc/18/66/24/606186624.db2.gz ROBDUKJTISXKQO-UHFFFAOYSA-N -1 3 381.461 2.148 20 30 GEEDHM C#Cc1cccc(N(CC)CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819709848 606186626 /nfs/dbraw/zinc/18/66/26/606186626.db2.gz ROBDUKJTISXKQO-UHFFFAOYSA-N -1 3 381.461 2.148 20 30 GEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000822654967 606209689 /nfs/dbraw/zinc/20/96/89/606209689.db2.gz AOROFPBLICCJPB-UHFFFAOYSA-N -1 3 376.405 2.453 20 30 GEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000822654967 606209690 /nfs/dbraw/zinc/20/96/90/606209690.db2.gz AOROFPBLICCJPB-UHFFFAOYSA-N -1 3 376.405 2.453 20 30 GEEDHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000821412316 606246771 /nfs/dbraw/zinc/24/67/71/606246771.db2.gz JRBMDPSZTLSRBG-ZDUSSCGKSA-N -1 3 395.448 2.416 20 30 GEEDHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000821412316 606246773 /nfs/dbraw/zinc/24/67/73/606246773.db2.gz JRBMDPSZTLSRBG-ZDUSSCGKSA-N -1 3 395.448 2.416 20 30 GEEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822802021 606299729 /nfs/dbraw/zinc/29/97/29/606299729.db2.gz UJRWDHSLJIBGGZ-BBRMVZONSA-N -1 3 378.392 2.461 20 30 GEEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000822801617 606300992 /nfs/dbraw/zinc/30/09/92/606300992.db2.gz LCDDCHVTVJJFSF-IUODEOHRSA-N -1 3 378.392 2.461 20 30 GEEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000822801617 606300995 /nfs/dbraw/zinc/30/09/95/606300995.db2.gz LCDDCHVTVJJFSF-IUODEOHRSA-N -1 3 378.392 2.461 20 30 GEEDHM COc1cccc(C#CCOC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821854614 606396711 /nfs/dbraw/zinc/39/67/11/606396711.db2.gz PFPNLDVAOKOOEH-AWEZNQCLSA-N -1 3 378.388 2.238 20 30 GEEDHM N#Cc1cccnc1NCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000822842661 606461344 /nfs/dbraw/zinc/46/13/44/606461344.db2.gz SJYMXVRLXLQWBF-UHFFFAOYSA-N -1 3 393.361 2.484 20 30 GEEDHM N#Cc1cccnc1NCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000822842661 606461345 /nfs/dbraw/zinc/46/13/45/606461345.db2.gz SJYMXVRLXLQWBF-UHFFFAOYSA-N -1 3 393.361 2.484 20 30 GEEDHM N#Cc1cc(NC(=O)c2ncccc2OCC(F)(F)F)ccc1-c1nnn[n-]1 ZINC000822822769 606515239 /nfs/dbraw/zinc/51/52/39/606515239.db2.gz FARGSGDMYHKEHC-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM N#Cc1cc(NC(=O)c2ncccc2OCC(F)(F)F)ccc1-c1nn[n-]n1 ZINC000822822769 606515240 /nfs/dbraw/zinc/51/52/40/606515240.db2.gz FARGSGDMYHKEHC-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000819745680 606537502 /nfs/dbraw/zinc/53/75/02/606537502.db2.gz PCORVVAHVNSWCL-UHFFFAOYSA-N -1 3 379.380 2.186 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000819745680 606537504 /nfs/dbraw/zinc/53/75/04/606537504.db2.gz PCORVVAHVNSWCL-UHFFFAOYSA-N -1 3 379.380 2.186 20 30 GEEDHM COc1ccc(C(N)=NOCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000821778398 606594684 /nfs/dbraw/zinc/59/46/84/606594684.db2.gz ZFEXUTFQRZUXGN-UHFFFAOYSA-N -1 3 390.350 2.314 20 30 GEEDHM COc1ccc(C(N)=NOCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000821778398 606594685 /nfs/dbraw/zinc/59/46/85/606594685.db2.gz ZFEXUTFQRZUXGN-UHFFFAOYSA-N -1 3 390.350 2.314 20 30 GEEDHM N#Cc1cnn2c1[nH]c(CSc1ccc(Cl)cc1-c1nnn[n-]1)cc2=O ZINC000822842532 606629508 /nfs/dbraw/zinc/62/95/08/606629508.db2.gz MSRYAXRIJMTBFG-UHFFFAOYSA-N -1 3 384.812 2.432 20 30 GEEDHM N#Cc1cnn2c1[nH]c(CSc1ccc(Cl)cc1-c1nn[n-]n1)cc2=O ZINC000822842532 606629509 /nfs/dbraw/zinc/62/95/09/606629509.db2.gz MSRYAXRIJMTBFG-UHFFFAOYSA-N -1 3 384.812 2.432 20 30 GEEDHM C=CC1CCN(S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)CC1 ZINC000819730404 606638954 /nfs/dbraw/zinc/63/89/54/606638954.db2.gz YSFDOZQPCOFQOT-UHFFFAOYSA-N -1 3 398.286 2.216 20 30 GEEDHM C=CC1CCN(S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)CC1 ZINC000819730404 606638955 /nfs/dbraw/zinc/63/89/55/606638955.db2.gz YSFDOZQPCOFQOT-UHFFFAOYSA-N -1 3 398.286 2.216 20 30 GEEDHM N#Cc1ccccc1N1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000822842713 606643036 /nfs/dbraw/zinc/64/30/36/606643036.db2.gz VGPCOCFOTLKMHR-UHFFFAOYSA-N -1 3 391.395 2.122 20 30 GEEDHM N#Cc1ccccc1N1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000822842713 606643037 /nfs/dbraw/zinc/64/30/37/606643037.db2.gz VGPCOCFOTLKMHR-UHFFFAOYSA-N -1 3 391.395 2.122 20 30 GEEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000820543273 606745551 /nfs/dbraw/zinc/74/55/51/606745551.db2.gz XPWRPZCZPCXWQG-LLVKDONJSA-N -1 3 382.355 2.314 20 30 GEEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000820543273 606745552 /nfs/dbraw/zinc/74/55/52/606745552.db2.gz XPWRPZCZPCXWQG-LLVKDONJSA-N -1 3 382.355 2.314 20 30 GEEDHM COC[C@](C)(C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821680482 606775290 /nfs/dbraw/zinc/77/52/90/606775290.db2.gz KNRHGCASVWYMHT-FQEVSTJZSA-N -1 3 392.419 2.104 20 30 GEEDHM COC[C@](C)(C#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821680482 606775291 /nfs/dbraw/zinc/77/52/91/606775291.db2.gz KNRHGCASVWYMHT-FQEVSTJZSA-N -1 3 392.419 2.104 20 30 GEEDHM COc1ccc(C=CC(=O)c2cc(OC)c(O)cc2OC)cc1-c1nnn[n-]1 ZINC000821703247 606835482 /nfs/dbraw/zinc/83/54/82/606835482.db2.gz WKVYVXOWPYWUNU-GQCTYLIASA-N -1 3 382.376 2.494 20 30 GEEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819729836 606836778 /nfs/dbraw/zinc/83/67/78/606836778.db2.gz NKLFSOJKFANSRL-GFCCVEGCSA-N -1 3 378.392 2.288 20 30 GEEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000819729836 606836780 /nfs/dbraw/zinc/83/67/80/606836780.db2.gz NKLFSOJKFANSRL-GFCCVEGCSA-N -1 3 378.392 2.288 20 30 GEEDHM C=CCOc1ccc(OS(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000819759063 606892857 /nfs/dbraw/zinc/89/28/57/606892857.db2.gz NCCDYIHYBCFYNV-UHFFFAOYSA-N -1 3 394.359 2.477 20 30 GEEDHM C=CCOc1ccc(OS(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000819759063 606892859 /nfs/dbraw/zinc/89/28/59/606892859.db2.gz NCCDYIHYBCFYNV-UHFFFAOYSA-N -1 3 394.359 2.477 20 30 GEEDHM C=CCN(CC=C)C(=O)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000819739897 607030830 /nfs/dbraw/zinc/03/08/30/607030830.db2.gz KFZSRFTUUFQDCQ-UHFFFAOYSA-N -1 3 378.230 2.209 20 30 GEEDHM C=CCN(CC=C)C(=O)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000819739897 607030832 /nfs/dbraw/zinc/03/08/32/607030832.db2.gz KFZSRFTUUFQDCQ-UHFFFAOYSA-N -1 3 378.230 2.209 20 30 GEEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820004988 607044196 /nfs/dbraw/zinc/04/41/96/607044196.db2.gz HNCAUIDHNAUMDU-UHFFFAOYSA-N -1 3 392.419 2.091 20 30 GEEDHM N#Cc1ccc(F)cc1CN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000822829635 607059461 /nfs/dbraw/zinc/05/94/61/607059461.db2.gz BDNQOAGHSHSFFZ-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1ccc(F)cc1CN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000822829635 607059464 /nfs/dbraw/zinc/05/94/64/607059464.db2.gz BDNQOAGHSHSFFZ-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C(=O)OC)n(C)c1 ZINC000819745655 607093369 /nfs/dbraw/zinc/09/33/69/607093369.db2.gz NYLUVUQYTFHJAV-UHFFFAOYSA-N -1 3 395.423 2.212 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C(=O)OC)n(C)c1 ZINC000819745655 607093370 /nfs/dbraw/zinc/09/33/70/607093370.db2.gz NYLUVUQYTFHJAV-UHFFFAOYSA-N -1 3 395.423 2.212 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000822833201 607142978 /nfs/dbraw/zinc/14/29/78/607142978.db2.gz MIAFTEIVCUNVFJ-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000822833201 607142979 /nfs/dbraw/zinc/14/29/79/607142979.db2.gz MIAFTEIVCUNVFJ-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1cccc(C=CC(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1 ZINC000822837636 607188482 /nfs/dbraw/zinc/18/84/82/607188482.db2.gz PWFZGMUUWWIURF-FPLPWBNLSA-N -1 3 396.414 2.458 20 30 GEEDHM N#Cc1cccc(C=CC(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1 ZINC000822837636 607188483 /nfs/dbraw/zinc/18/84/83/607188483.db2.gz PWFZGMUUWWIURF-FPLPWBNLSA-N -1 3 396.414 2.458 20 30 GEEDHM N#Cc1ccc(NCCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)nc1 ZINC000822830250 607203547 /nfs/dbraw/zinc/20/35/47/607203547.db2.gz ZBBRJSGZIIFZRB-UHFFFAOYSA-N -1 3 383.803 2.020 20 30 GEEDHM N#Cc1ccc(NCCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)nc1 ZINC000822830250 607203548 /nfs/dbraw/zinc/20/35/48/607203548.db2.gz ZBBRJSGZIIFZRB-UHFFFAOYSA-N -1 3 383.803 2.020 20 30 GEEDHM CN(CCCc1[nH]nc(N)c1C#N)c1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC000821601777 607226386 /nfs/dbraw/zinc/22/63/86/607226386.db2.gz YVRVHCKUPVVHLG-UHFFFAOYSA-N -1 3 391.361 2.131 20 30 GEEDHM CN(CCCc1[nH]nc(N)c1C#N)c1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC000821601777 607226387 /nfs/dbraw/zinc/22/63/87/607226387.db2.gz YVRVHCKUPVVHLG-UHFFFAOYSA-N -1 3 391.361 2.131 20 30 GEEDHM N#Cc1cc(NC(=O)CCCOc2ccc3c(c2)OCO3)ccc1-c1nnn[n-]1 ZINC000822823754 607238584 /nfs/dbraw/zinc/23/85/84/607238584.db2.gz YVSQPYMTKDNRAQ-UHFFFAOYSA-N -1 3 392.375 2.265 20 30 GEEDHM N#Cc1cc(NC(=O)CCCOc2ccc3c(c2)OCO3)ccc1-c1nn[n-]n1 ZINC000822823754 607238585 /nfs/dbraw/zinc/23/85/85/607238585.db2.gz YVSQPYMTKDNRAQ-UHFFFAOYSA-N -1 3 392.375 2.265 20 30 GEEDHM CC(=NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000819783452 607251472 /nfs/dbraw/zinc/25/14/72/607251472.db2.gz XSYPBOKTAHIVRR-UHFFFAOYSA-N -1 3 392.427 2.303 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cncc(Cl)c1 ZINC000823914480 607851746 /nfs/dbraw/zinc/85/17/46/607851746.db2.gz JLZLSAAYEJGBLE-UHFFFAOYSA-N -1 3 390.856 2.292 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cncc(Cl)c1 ZINC000823914480 607851747 /nfs/dbraw/zinc/85/17/47/607851747.db2.gz JLZLSAAYEJGBLE-UHFFFAOYSA-N -1 3 390.856 2.292 20 30 GEEDHM CCOc1cc(-c2nnn[n-]2)ccc1OC[C@H](O)COc1ccc(CC#N)cc1 ZINC000825608720 607871455 /nfs/dbraw/zinc/87/14/55/607871455.db2.gz CYZNPTMPMIRQIT-MRXNPFEDSA-N -1 3 395.419 2.150 20 30 GEEDHM CCOc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)COc1ccc(CC#N)cc1 ZINC000825608720 607871456 /nfs/dbraw/zinc/87/14/56/607871456.db2.gz CYZNPTMPMIRQIT-MRXNPFEDSA-N -1 3 395.419 2.150 20 30 GEEDHM N#C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000826380231 607881353 /nfs/dbraw/zinc/88/13/53/607881353.db2.gz RTBICKDEQXNPPQ-CQSZACIVSA-N -1 3 380.861 2.271 20 30 GEEDHM N#C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000826380231 607881354 /nfs/dbraw/zinc/88/13/54/607881354.db2.gz RTBICKDEQXNPPQ-CQSZACIVSA-N -1 3 380.861 2.271 20 30 GEEDHM C=C(C)[C@@H](CC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)OCC ZINC000823872730 607881598 /nfs/dbraw/zinc/88/15/98/607881598.db2.gz CZRVSBXTAAPNAW-MRXNPFEDSA-N -1 3 388.447 2.026 20 30 GEEDHM C=C(C)[C@@H](CC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)OCC ZINC000823872730 607881599 /nfs/dbraw/zinc/88/15/99/607881599.db2.gz CZRVSBXTAAPNAW-MRXNPFEDSA-N -1 3 388.447 2.026 20 30 GEEDHM Fc1ccc(-n2cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)nn2)c(Cl)c1 ZINC000826373523 607890424 /nfs/dbraw/zinc/89/04/24/607890424.db2.gz PHTOYOQTBUUEFA-UHFFFAOYSA-N -1 3 397.805 2.364 20 30 GEEDHM Fc1ccc(-n2cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)nn2)c(Cl)c1 ZINC000826373523 607890425 /nfs/dbraw/zinc/89/04/25/607890425.db2.gz PHTOYOQTBUUEFA-UHFFFAOYSA-N -1 3 397.805 2.364 20 30 GEEDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1cccc(OCC#N)c1 ZINC000825609882 608024239 /nfs/dbraw/zinc/02/42/39/608024239.db2.gz UCPVKSGYZFKVPV-UHFFFAOYSA-N -1 3 379.376 2.316 20 30 GEEDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1cccc(OCC#N)c1 ZINC000825609882 608024240 /nfs/dbraw/zinc/02/42/40/608024240.db2.gz UCPVKSGYZFKVPV-UHFFFAOYSA-N -1 3 379.376 2.316 20 30 GEEDHM N#Cc1cccnc1NCCNc1ccc(-c2nn[n-]n2)cc1Br ZINC000826387530 608048079 /nfs/dbraw/zinc/04/80/79/608048079.db2.gz ZRSSBYBMQNUAEX-UHFFFAOYSA-N -1 3 385.229 2.420 20 30 GEEDHM CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)c(-c2nnn[n-]2)c1CC ZINC000825768088 608051845 /nfs/dbraw/zinc/05/18/45/608051845.db2.gz ZFIFBLPOMPSNAF-KRWDZBQOSA-N -1 3 390.451 2.231 20 30 GEEDHM CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)c(-c2nn[n-]n2)c1CC ZINC000825768088 608051846 /nfs/dbraw/zinc/05/18/46/608051846.db2.gz ZFIFBLPOMPSNAF-KRWDZBQOSA-N -1 3 390.451 2.231 20 30 GEEDHM CCn1c(=O)c2ccccc2nc1NN=C(C)c1ccc(-c2nnn[n-]2)s1 ZINC000825796601 608095154 /nfs/dbraw/zinc/09/51/54/608095154.db2.gz JHVJYYFXWBLOAL-UHFFFAOYSA-N -1 3 380.437 2.494 20 30 GEEDHM N#Cc1ccc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)s1 ZINC000826384468 608190370 /nfs/dbraw/zinc/19/03/70/608190370.db2.gz WORHTOCJVUDHMC-UHFFFAOYSA-N -1 3 376.405 2.120 20 30 GEEDHM N#Cc1ccc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)s1 ZINC000826384468 608190372 /nfs/dbraw/zinc/19/03/72/608190372.db2.gz WORHTOCJVUDHMC-UHFFFAOYSA-N -1 3 376.405 2.120 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826256836 608192007 /nfs/dbraw/zinc/19/20/07/608192007.db2.gz BZWKSLFARSCKLY-UHFFFAOYSA-N -1 3 384.403 2.367 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826256836 608192008 /nfs/dbraw/zinc/19/20/08/608192008.db2.gz BZWKSLFARSCKLY-UHFFFAOYSA-N -1 3 384.403 2.367 20 30 GEEDHM N#Cc1c(Cl)cccc1SCc1cc(=O)n2ncc(-c3nnn[n-]3)c2[nH]1 ZINC000826383321 608206337 /nfs/dbraw/zinc/20/63/37/608206337.db2.gz VGMUWJAKQBHLOP-UHFFFAOYSA-N -1 3 384.812 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/nfs/dbraw/zinc/33/59/36/608335936.db2.gz KMXAJVSLLQHQIQ-UHFFFAOYSA-N -1 3 390.396 2.479 20 30 GEEDHM C=CC[C@@H](CO)CNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000823888825 608408913 /nfs/dbraw/zinc/40/89/13/608408913.db2.gz XXESFEIDYIFMDZ-CYBMUJFWSA-N -1 3 399.480 2.220 20 30 GEEDHM C=CC[C@@H](CO)CNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823888825 608408914 /nfs/dbraw/zinc/40/89/14/608408914.db2.gz XXESFEIDYIFMDZ-CYBMUJFWSA-N -1 3 399.480 2.220 20 30 GEEDHM N#Cc1ccc(C2=CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000826384974 608446738 /nfs/dbraw/zinc/44/67/38/608446738.db2.gz RUWYYBLXCVGOED-UHFFFAOYSA-N -1 3 392.444 2.216 20 30 GEEDHM N#Cc1ccc(C2=CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000826384974 608446739 /nfs/dbraw/zinc/44/67/39/608446739.db2.gz RUWYYBLXCVGOED-UHFFFAOYSA-N -1 3 392.444 2.216 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826386252 608447050 /nfs/dbraw/zinc/44/70/50/608447050.db2.gz WBAZZZFFDXEMER-UHFFFAOYSA-N -1 3 392.444 2.216 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826386252 608447052 /nfs/dbraw/zinc/44/70/52/608447052.db2.gz WBAZZZFFDXEMER-UHFFFAOYSA-N -1 3 392.444 2.216 20 30 GEEDHM N#Cc1cccc(NC(=O)CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826387346 608464905 /nfs/dbraw/zinc/46/49/05/608464905.db2.gz QQXMMYUHAZZFQM-UHFFFAOYSA-N -1 3 385.431 2.466 20 30 GEEDHM N#Cc1cccc(NC(=O)CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826387346 608464906 /nfs/dbraw/zinc/46/49/06/608464906.db2.gz QQXMMYUHAZZFQM-UHFFFAOYSA-N -1 3 385.431 2.466 20 30 GEEDHM N#Cc1ccc(CNC(=O)CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385093 608466852 /nfs/dbraw/zinc/46/68/52/608466852.db2.gz WXBNZJXMPSMVGO-UHFFFAOYSA-N -1 3 399.458 2.144 20 30 GEEDHM C=CC[C@@H](CO)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823888316 608477066 /nfs/dbraw/zinc/47/70/66/608477066.db2.gz ITTHJAWGYLOSDR-CYBMUJFWSA-N -1 3 395.423 2.360 20 30 GEEDHM C=CCOc1cccnc1C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823932430 608538731 /nfs/dbraw/zinc/53/87/31/608538731.db2.gz YBVCBOXBCLGYOV-UHFFFAOYSA-N -1 3 394.435 2.115 20 30 GEEDHM C=CCOc1cccnc1C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823932430 608538733 /nfs/dbraw/zinc/53/87/33/608538733.db2.gz YBVCBOXBCLGYOV-UHFFFAOYSA-N -1 3 394.435 2.115 20 30 GEEDHM N#CCN1CCN(Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000826382091 608673209 /nfs/dbraw/zinc/67/32/09/608673209.db2.gz NZCUFXQLBDTURL-UHFFFAOYSA-N -1 3 389.463 2.087 20 30 GEEDHM N#CCN1CCN(Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000826382091 608673210 /nfs/dbraw/zinc/67/32/10/608673210.db2.gz NZCUFXQLBDTURL-UHFFFAOYSA-N -1 3 389.463 2.087 20 30 GEEDHM C#CCOc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000823856041 608851986 /nfs/dbraw/zinc/85/19/86/608851986.db2.gz GPLFPOKBULXVAX-FQEVSTJZSA-N -1 3 375.432 2.452 20 30 GEEDHM CN(C)C(=O)COc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000825846335 608876319 /nfs/dbraw/zinc/87/63/19/608876319.db2.gz WUTODTSCAMUOAN-CLFYSBASSA-N -1 3 395.394 2.369 20 30 GEEDHM CN(C)C(=O)COc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000825846335 608876321 /nfs/dbraw/zinc/87/63/21/608876321.db2.gz WUTODTSCAMUOAN-CLFYSBASSA-N -1 3 395.394 2.369 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826380129 609241946 /nfs/dbraw/zinc/24/19/46/609241946.db2.gz OLIGOOKZMCNTAR-CEXWTWQISA-N -1 3 388.431 2.198 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826380129 609241947 /nfs/dbraw/zinc/24/19/47/609241947.db2.gz OLIGOOKZMCNTAR-CEXWTWQISA-N -1 3 388.431 2.198 20 30 GEEDHM Cc1nnc(SCC(=O)Nc2ccc(CC#N)cc2)c(-c2nnn[n-]2)c1C ZINC000826336703 609304684 /nfs/dbraw/zinc/30/46/84/609304684.db2.gz JYKHCOYZUKNJNT-UHFFFAOYSA-N -1 3 380.437 2.070 20 30 GEEDHM Cc1nnc(SCC(=O)Nc2ccc(CC#N)cc2)c(-c2nn[n-]n2)c1C ZINC000826336703 609304686 /nfs/dbraw/zinc/30/46/86/609304686.db2.gz JYKHCOYZUKNJNT-UHFFFAOYSA-N -1 3 380.437 2.070 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1nnc(C)c(C)c1C#N ZINC000826176275 609308122 /nfs/dbraw/zinc/30/81/22/609308122.db2.gz INDCMASIXKWNOX-UHFFFAOYSA-N -1 3 383.437 2.325 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1nnc(C)c(C)c1C#N ZINC000826176275 609308124 /nfs/dbraw/zinc/30/81/24/609308124.db2.gz INDCMASIXKWNOX-UHFFFAOYSA-N -1 3 383.437 2.325 20 30 GEEDHM N#CC1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCN(Cc2ccccc2)CC1 ZINC000826380364 609345438 /nfs/dbraw/zinc/34/54/38/609345438.db2.gz XRNCEKUBACAGRA-UHFFFAOYSA-N -1 3 393.476 2.216 20 30 GEEDHM N#CC1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCN(Cc2ccccc2)CC1 ZINC000826380364 609345439 /nfs/dbraw/zinc/34/54/39/609345439.db2.gz XRNCEKUBACAGRA-UHFFFAOYSA-N -1 3 393.476 2.216 20 30 GEEDHM N#Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826385729 609384404 /nfs/dbraw/zinc/38/44/04/609384404.db2.gz YFCPFBNZXQGDJX-UHFFFAOYSA-N -1 3 381.377 2.377 20 30 GEEDHM N#Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826385729 609384406 /nfs/dbraw/zinc/38/44/06/609384406.db2.gz YFCPFBNZXQGDJX-UHFFFAOYSA-N -1 3 381.377 2.377 20 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2.026 20 30 GEEDHM N#Cc1cc(NC(=O)CCCNC(=O)c2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC000737703224 598926987 /nfs/dbraw/zinc/92/69/87/598926987.db2.gz ATMMFXPQYAZKCK-UHFFFAOYSA-N -1 3 393.382 2.026 20 30 GEEDHM COc1cccc(C=NOCCOc2ccc(-c3nnn[n-]3)cc2OC)c1OC ZINC000737033215 598978214 /nfs/dbraw/zinc/97/82/14/598978214.db2.gz UGMFEFACPIXDMC-UHFFFAOYSA-N -1 3 399.407 2.322 20 30 GEEDHM COc1cccc(C=NOCCOc2ccc(-c3nn[n-]n3)cc2OC)c1OC ZINC000737033215 598978215 /nfs/dbraw/zinc/97/82/15/598978215.db2.gz UGMFEFACPIXDMC-UHFFFAOYSA-N -1 3 399.407 2.322 20 30 GEEDHM N#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)cn1 ZINC000737712754 598986779 /nfs/dbraw/zinc/98/67/79/598986779.db2.gz SIXCALNKZGPJED-UHFFFAOYSA-N -1 3 388.416 2.433 20 30 GEEDHM N#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)cn1 ZINC000737712754 598986781 /nfs/dbraw/zinc/98/67/81/598986781.db2.gz SIXCALNKZGPJED-UHFFFAOYSA-N -1 3 388.416 2.433 20 30 GEEDHM COCCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736989011 599113356 /nfs/dbraw/zinc/11/33/56/599113356.db2.gz PIWSDKSIZCNQLL-AWEZNQCLSA-N -1 3 392.419 2.185 20 30 GEEDHM COCCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736989011 599113359 /nfs/dbraw/zinc/11/33/59/599113359.db2.gz PIWSDKSIZCNQLL-AWEZNQCLSA-N -1 3 392.419 2.185 20 30 GEEDHM COCCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988220 599115641 /nfs/dbraw/zinc/11/56/41/599115641.db2.gz IOWUJDQCKXTLOG-CQSZACIVSA-N -1 3 392.419 2.185 20 30 GEEDHM COCCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988220 599115642 /nfs/dbraw/zinc/11/56/42/599115642.db2.gz IOWUJDQCKXTLOG-CQSZACIVSA-N -1 3 392.419 2.185 20 30 GEEDHM COc1ccc(C=NNC(=S)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1-c1nnn[n-]1 ZINC000737082541 599126464 /nfs/dbraw/zinc/12/64/64/599126464.db2.gz WZPUQNWKPRUIOP-TYNCELHUSA-N -1 3 387.513 2.498 20 30 GEEDHM COc1ccc(C=NNC(=S)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1-c1nn[n-]n1 ZINC000737082541 599126467 /nfs/dbraw/zinc/12/64/67/599126467.db2.gz WZPUQNWKPRUIOP-TYNCELHUSA-N -1 3 387.513 2.498 20 30 GEEDHM Cc1c(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nnn1-c1ccc(C)cc1 ZINC000737307030 599198269 /nfs/dbraw/zinc/19/82/69/599198269.db2.gz VBMKELYVKVNCDH-UHFFFAOYSA-N -1 3 399.418 2.117 20 30 GEEDHM Cc1c(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nnn1-c1ccc(C)cc1 ZINC000737307030 599198271 /nfs/dbraw/zinc/19/82/71/599198271.db2.gz VBMKELYVKVNCDH-UHFFFAOYSA-N -1 3 399.418 2.117 20 30 GEEDHM N#Cc1ccc(CSCC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737717355 599213266 /nfs/dbraw/zinc/21/32/66/599213266.db2.gz CIJRXEJEWUWAAS-UHFFFAOYSA-N -1 3 394.460 2.167 20 30 GEEDHM N#Cc1cnccc1NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737727793 599252199 /nfs/dbraw/zinc/25/21/99/599252199.db2.gz ARLYHXGIYIBKIB-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccn(CCC#N)n1 ZINC000735736356 599258899 /nfs/dbraw/zinc/25/88/99/599258899.db2.gz SOGHULNISPWWBN-INIZCTEOSA-N -1 3 380.412 2.019 20 30 GEEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccn(CCC#N)n1 ZINC000735736356 599258900 /nfs/dbraw/zinc/25/89/00/599258900.db2.gz SOGHULNISPWWBN-INIZCTEOSA-N -1 3 380.412 2.019 20 30 GEEDHM COc1cccc([C@H](C#N)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1OC ZINC000737122842 598240274 /nfs/dbraw/zinc/24/02/74/598240274.db2.gz WQZZXIRICSOOHM-OFAQMXQXSA-N -1 3 390.403 2.278 20 30 GEEDHM COc1cccc([C@H](C#N)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1OC ZINC000737122842 598240277 /nfs/dbraw/zinc/24/02/77/598240277.db2.gz WQZZXIRICSOOHM-OFAQMXQXSA-N -1 3 390.403 2.278 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000737221604 598272622 /nfs/dbraw/zinc/27/26/22/598272622.db2.gz NWJOOCJKPPRNTP-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000737221604 598272624 /nfs/dbraw/zinc/27/26/24/598272624.db2.gz NWJOOCJKPPRNTP-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cn1cc(CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cn1 ZINC000737601949 598307009 /nfs/dbraw/zinc/30/70/09/598307009.db2.gz CVTVVZCXQHWNEK-AWEZNQCLSA-N -1 3 390.432 2.143 20 30 GEEDHM C#CCn1cnc(-c2ccccc2)c1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735387629 598365702 /nfs/dbraw/zinc/36/57/02/598365702.db2.gz COFMMZFAOKAHPS-UHFFFAOYSA-N -1 3 399.414 2.381 20 30 GEEDHM C#CCn1cnc(-c2ccccc2)c1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735387629 598365704 /nfs/dbraw/zinc/36/57/04/598365704.db2.gz COFMMZFAOKAHPS-UHFFFAOYSA-N -1 3 399.414 2.381 20 30 GEEDHM N#Cc1ccc(N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)c(F)c1 ZINC000737718905 598394399 /nfs/dbraw/zinc/39/43/99/598394399.db2.gz QFQNKAANUVSJBW-UHFFFAOYSA-N -1 3 384.806 2.252 20 30 GEEDHM N#Cc1ccc(N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)c(F)c1 ZINC000737718905 598394401 /nfs/dbraw/zinc/39/44/01/598394401.db2.gz QFQNKAANUVSJBW-UHFFFAOYSA-N -1 3 384.806 2.252 20 30 GEEDHM N#Cc1cnc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c(Cl)c1 ZINC000737727789 598394410 /nfs/dbraw/zinc/39/44/10/598394410.db2.gz APZVGCPTRAQDJY-UHFFFAOYSA-N -1 3 384.806 2.252 20 30 GEEDHM C#CCOc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735381571 598494452 /nfs/dbraw/zinc/49/44/52/598494452.db2.gz VZOWWGFAZKYHTA-IBGZPJMESA-N -1 3 388.431 2.486 20 30 GEEDHM N#Cc1cccc(OCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737730976 598546020 /nfs/dbraw/zinc/54/60/20/598546020.db2.gz UVKBSRQSGYAXJR-UHFFFAOYSA-N -1 3 386.318 2.357 20 30 GEEDHM N#Cc1cccc(OCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737730976 598546021 /nfs/dbraw/zinc/54/60/21/598546021.db2.gz UVKBSRQSGYAXJR-UHFFFAOYSA-N -1 3 386.318 2.357 20 30 GEEDHM N#CC1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000737678847 598550182 /nfs/dbraw/zinc/55/01/82/598550182.db2.gz MPNJCGFAPFRTRY-UHFFFAOYSA-N -1 3 378.392 2.414 20 30 GEEDHM COC[C@](C)(C#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821680850 607358666 /nfs/dbraw/zinc/35/86/66/607358666.db2.gz WJUABAZPPIWJQW-IBGZPJMESA-N -1 3 377.408 2.269 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000737026053 598575774 /nfs/dbraw/zinc/57/57/74/598575774.db2.gz VFEYUHKOSPCASO-MRXNPFEDSA-N -1 3 390.403 2.321 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000737026053 598575776 /nfs/dbraw/zinc/57/57/76/598575776.db2.gz VFEYUHKOSPCASO-MRXNPFEDSA-N -1 3 390.403 2.321 20 30 GEEDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1ccc(OCC#N)cc1 ZINC000736629093 598646686 /nfs/dbraw/zinc/64/66/86/598646686.db2.gz TYBWHEAANBWLHI-UHFFFAOYSA-N -1 3 379.376 2.316 20 30 GEEDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1ccc(OCC#N)cc1 ZINC000736629093 598646687 /nfs/dbraw/zinc/64/66/87/598646687.db2.gz TYBWHEAANBWLHI-UHFFFAOYSA-N -1 3 379.376 2.316 20 30 GEEDHM N#Cc1cc(F)ccc1CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737706096 598684428 /nfs/dbraw/zinc/68/44/28/598684428.db2.gz VZMZWVLZKUWZGI-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#CCn1cc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cn1 ZINC000737705953 598687461 /nfs/dbraw/zinc/68/74/61/598687461.db2.gz RSXKOPICFOZHQU-UHFFFAOYSA-N -1 3 387.363 2.026 20 30 GEEDHM N#CCn1cc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cn1 ZINC000737705953 598687462 /nfs/dbraw/zinc/68/74/62/598687462.db2.gz RSXKOPICFOZHQU-UHFFFAOYSA-N -1 3 387.363 2.026 20 30 GEEDHM N#Cc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)ccc1F ZINC000737711107 598688834 /nfs/dbraw/zinc/68/88/34/598688834.db2.gz ZIFDTPRFVXNSCS-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)ccc1F ZINC000737711107 598688836 /nfs/dbraw/zinc/68/88/36/598688836.db2.gz ZIFDTPRFVXNSCS-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM C=CCNC(=O)COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735433129 598712429 /nfs/dbraw/zinc/71/24/29/598712429.db2.gz ZTYQSVLOBFJRIJ-UHFFFAOYSA-N -1 3 379.376 2.118 20 30 GEEDHM C=CCNC(=O)COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735433129 598712431 /nfs/dbraw/zinc/71/24/31/598712431.db2.gz ZTYQSVLOBFJRIJ-UHFFFAOYSA-N -1 3 379.376 2.118 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735419549 598712826 /nfs/dbraw/zinc/71/28/26/598712826.db2.gz VJBQESPQTRXMLX-CYBMUJFWSA-N -1 3 387.465 2.091 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735419549 598712828 /nfs/dbraw/zinc/71/28/28/598712828.db2.gz VJBQESPQTRXMLX-CYBMUJFWSA-N -1 3 387.465 2.091 20 30 GEEDHM N#Cc1ccc(SCC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826385894 607372015 /nfs/dbraw/zinc/37/20/15/607372015.db2.gz GNGBFWKFVPEOMZ-UHFFFAOYSA-N -1 3 379.401 2.257 20 30 GEEDHM N#Cc1ccc(SCC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826385894 607372016 /nfs/dbraw/zinc/37/20/16/607372016.db2.gz GNGBFWKFVPEOMZ-UHFFFAOYSA-N -1 3 379.401 2.257 20 30 GEEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)c1cccc(C#N)c1 ZINC000824172656 607378953 /nfs/dbraw/zinc/37/89/53/607378953.db2.gz NENLLGOBYWEJMW-UHFFFAOYSA-N -1 3 391.387 2.322 20 30 GEEDHM C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820366981 599451408 /nfs/dbraw/zinc/45/14/08/599451408.db2.gz QYMMMZKBQUARLK-ZDUSSCGKSA-N -1 3 377.408 2.178 20 30 GEEDHM C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820366981 599451411 /nfs/dbraw/zinc/45/14/11/599451411.db2.gz QYMMMZKBQUARLK-ZDUSSCGKSA-N -1 3 377.408 2.178 20 30 GEEDHM Cn1c2ccccc2sc1=NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737592093 599456713 /nfs/dbraw/zinc/45/67/13/599456713.db2.gz XHZNRNXFPSKLOF-UHFFFAOYSA-N -1 3 375.421 2.002 20 30 GEEDHM Cn1c2ccccc2sc1=NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737592093 599456715 /nfs/dbraw/zinc/45/67/15/599456715.db2.gz XHZNRNXFPSKLOF-UHFFFAOYSA-N -1 3 375.421 2.002 20 30 GEEDHM Brc1ccc(N=NCc2cnc3ccc(-c4nn[n-]n4)cn23)nc1 ZINC000735368084 599457285 /nfs/dbraw/zinc/45/72/85/599457285.db2.gz FCQLIQZJGOVVSD-UHFFFAOYSA-N -1 3 384.201 2.118 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822501194 599503266 /nfs/dbraw/zinc/50/32/66/599503266.db2.gz ZVKONBQVKPMHPI-CYBMUJFWSA-N -1 3 392.467 2.404 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822501194 599503271 /nfs/dbraw/zinc/50/32/71/599503271.db2.gz ZVKONBQVKPMHPI-CYBMUJFWSA-N -1 3 392.467 2.404 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826257371 607383263 /nfs/dbraw/zinc/38/32/63/607383263.db2.gz ZMDYTPSFYVHDNX-UHFFFAOYSA-N -1 3 387.359 2.454 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826257371 607383265 /nfs/dbraw/zinc/38/32/65/607383265.db2.gz ZMDYTPSFYVHDNX-UHFFFAOYSA-N -1 3 387.359 2.454 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826257029 607385367 /nfs/dbraw/zinc/38/53/67/607385367.db2.gz KPRCFWAXBMXOJM-UHFFFAOYSA-N -1 3 396.794 2.496 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826257029 607385369 /nfs/dbraw/zinc/38/53/69/607385369.db2.gz KPRCFWAXBMXOJM-UHFFFAOYSA-N -1 3 396.794 2.496 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000819933055 599631552 /nfs/dbraw/zinc/63/15/52/599631552.db2.gz DHLIFJOMTZWMFK-DGCLKSJQSA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000819933055 599631553 /nfs/dbraw/zinc/63/15/53/599631553.db2.gz DHLIFJOMTZWMFK-DGCLKSJQSA-N -1 3 397.439 2.370 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC000819743627 599698326 /nfs/dbraw/zinc/69/83/26/599698326.db2.gz MSTWKIWITAEOFH-SJORKVTESA-N -1 3 383.452 2.361 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC000819743627 599698327 /nfs/dbraw/zinc/69/83/27/599698327.db2.gz MSTWKIWITAEOFH-SJORKVTESA-N -1 3 383.452 2.361 20 30 GEEDHM COc1ccc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000821794431 607387551 /nfs/dbraw/zinc/38/75/51/607387551.db2.gz GSNMQILEQHSLSH-IBGZPJMESA-N -1 3 389.463 2.258 20 30 GEEDHM COc1ccc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000821794431 607387553 /nfs/dbraw/zinc/38/75/53/607387553.db2.gz GSNMQILEQHSLSH-IBGZPJMESA-N -1 3 389.463 2.258 20 30 GEEDHM N#C[C@H](C(=O)CN1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1nc2ccccc2c(=O)[nH]1 ZINC000739074788 599711959 /nfs/dbraw/zinc/71/19/59/599711959.db2.gz LRHMQCCYFIYUHB-YVVXQTMVSA-N -1 3 394.431 2.229 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1cscc1C ZINC000823910173 607397306 /nfs/dbraw/zinc/39/73/06/607397306.db2.gz YLSZLZBSOWNKED-UHFFFAOYSA-N -1 3 382.449 2.390 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1cscc1C ZINC000823910173 607397308 /nfs/dbraw/zinc/39/73/08/607397308.db2.gz YLSZLZBSOWNKED-UHFFFAOYSA-N -1 3 382.449 2.390 20 30 GEEDHM Cc1c(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826241135 607397883 /nfs/dbraw/zinc/39/78/83/607397883.db2.gz SMCVTRZMHSRFJR-QGZVFWFLSA-N -1 3 389.419 2.275 20 30 GEEDHM Cc1c(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826241135 607397885 /nfs/dbraw/zinc/39/78/85/607397885.db2.gz SMCVTRZMHSRFJR-QGZVFWFLSA-N -1 3 389.419 2.275 20 30 GEEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000827718099 601301835 /nfs/dbraw/zinc/30/18/35/601301835.db2.gz OSZKMQRJUKFJCK-ACJLOTCBSA-N -1 3 387.461 2.285 20 30 GEEDHM O=S(=O)(OCC(F)(F)F)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826493614 607572423 /nfs/dbraw/zinc/57/24/23/607572423.db2.gz TZNOSSHYBVTEHW-UHFFFAOYSA-N -1 3 376.238 2.153 20 30 GEEDHM Cc1cccc(S(=O)(=O)Oc2ccc(C#N)cc2Cl)c1-c1nnn[n-]1 ZINC000826304557 607581073 /nfs/dbraw/zinc/58/10/73/607581073.db2.gz PMYNJNYOFHXNRZ-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM COC[C@@H](C)N=c1scc(C)n1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000826149067 607633681 /nfs/dbraw/zinc/63/36/81/607633681.db2.gz YHZXWAMXBXGWJV-LLVKDONJSA-N -1 3 396.480 2.337 20 30 GEEDHM COC[C@@H](C)N=c1scc(C)n1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000826149067 607633683 /nfs/dbraw/zinc/63/36/83/607633683.db2.gz YHZXWAMXBXGWJV-LLVKDONJSA-N -1 3 396.480 2.337 20 30 GEEDHM Cc1csc(=NC[C@H]2CCCO2)n1N=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826320180 607634173 /nfs/dbraw/zinc/63/41/73/607634173.db2.gz JBUMHDLKLHZVRU-LLVKDONJSA-N -1 3 375.483 2.062 20 30 GEEDHM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000833419626 604862830 /nfs/dbraw/zinc/86/28/30/604862830.db2.gz IHANWZSWCQVVNB-KRWDZBQOSA-N -1 3 398.463 2.103 20 30 GEEDHM N#Cc1ccnc(N2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)c1 ZINC000822842558 606034328 /nfs/dbraw/zinc/03/43/28/606034328.db2.gz OFUORRAVIYJYFE-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccnc(N2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)c1 ZINC000822842558 606034332 /nfs/dbraw/zinc/03/43/32/606034332.db2.gz OFUORRAVIYJYFE-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM Cc1sc(NC(=O)CN(C)Cc2ccc(C#N)cc2)c(-c2nnn[n-]2)c1C ZINC000822557176 606201221 /nfs/dbraw/zinc/20/12/21/606201221.db2.gz HFEJTJUJEVJFPE-UHFFFAOYSA-N -1 3 381.465 2.487 20 30 GEEDHM Cc1sc(NC(=O)CN(C)Cc2ccc(C#N)cc2)c(-c2nn[n-]n2)c1C ZINC000822557176 606201223 /nfs/dbraw/zinc/20/12/23/606201223.db2.gz HFEJTJUJEVJFPE-UHFFFAOYSA-N -1 3 381.465 2.487 20 30 GEEDHM C=CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819758968 606235282 /nfs/dbraw/zinc/23/52/82/606235282.db2.gz KFFPLYAJRMJDNH-UHFFFAOYSA-N -1 3 384.421 2.268 20 30 GEEDHM C=CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819758968 606235283 /nfs/dbraw/zinc/23/52/83/606235283.db2.gz KFFPLYAJRMJDNH-UHFFFAOYSA-N -1 3 384.421 2.268 20 30 GEEDHM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(-c3nnn[n-]3)cn2C)c1C ZINC000822486442 606256832 /nfs/dbraw/zinc/25/68/32/606256832.db2.gz KDGSTDGMWINIMU-UHFFFAOYSA-N -1 3 387.407 2.132 20 30 GEEDHM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(-c3nn[n-]n3)cn2C)c1C ZINC000822486442 606256833 /nfs/dbraw/zinc/25/68/33/606256833.db2.gz KDGSTDGMWINIMU-UHFFFAOYSA-N -1 3 387.407 2.132 20 30 GEEDHM N#C[C@@H]1COCCN1C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822807117 606285048 /nfs/dbraw/zinc/28/50/48/606285048.db2.gz YSZNGUBHUMEMQA-CQSZACIVSA-N -1 3 392.444 2.382 20 30 GEEDHM N#C[C@@H]1COCCN1C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822807117 606285049 /nfs/dbraw/zinc/28/50/49/606285049.db2.gz YSZNGUBHUMEMQA-CQSZACIVSA-N -1 3 392.444 2.382 20 30 GEEDHM COC(=O)[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000821646278 606367683 /nfs/dbraw/zinc/36/76/83/606367683.db2.gz FPARQESZEGMARV-SFHVURJKSA-N -1 3 391.387 2.128 20 30 GEEDHM COC(=O)[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000821646278 606367684 /nfs/dbraw/zinc/36/76/84/606367684.db2.gz FPARQESZEGMARV-SFHVURJKSA-N -1 3 391.387 2.128 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000821646543 606367978 /nfs/dbraw/zinc/36/79/78/606367978.db2.gz JXMOURISZXGRGP-LPADLIQXSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000821646543 606367980 /nfs/dbraw/zinc/36/79/80/606367980.db2.gz JXMOURISZXGRGP-LPADLIQXSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000821647286 606368547 /nfs/dbraw/zinc/36/85/47/606368547.db2.gz XCUZABINWNYOOR-QZEKMECESA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000821647286 606368549 /nfs/dbraw/zinc/36/85/49/606368549.db2.gz XCUZABINWNYOOR-QZEKMECESA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000821647284 606368559 /nfs/dbraw/zinc/36/85/59/606368559.db2.gz XCUZABINWNYOOR-HJCTWCACSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000821647284 606368560 /nfs/dbraw/zinc/36/85/60/606368560.db2.gz XCUZABINWNYOOR-HJCTWCACSA-N -1 3 389.371 2.209 20 30 GEEDHM O=S(=O)(c1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)cc1)C(F)F ZINC000823605849 606371440 /nfs/dbraw/zinc/37/14/40/606371440.db2.gz BXSRXASLVMVWSJ-UHFFFAOYSA-N -1 3 384.393 2.371 20 30 GEEDHM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819758806 606372921 /nfs/dbraw/zinc/37/29/21/606372921.db2.gz HPOXVPWBPRFTMV-UHFFFAOYSA-N -1 3 387.377 2.271 20 30 GEEDHM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819758806 606372923 /nfs/dbraw/zinc/37/29/23/606372923.db2.gz HPOXVPWBPRFTMV-UHFFFAOYSA-N -1 3 387.377 2.271 20 30 GEEDHM N=C(NOC(=O)CCCSc1cc(-c2nnn[n-]2)ccn1)c1cccs1 ZINC000822846406 606429084 /nfs/dbraw/zinc/42/90/84/606429084.db2.gz ZUTQCUXBLCZBFG-UHFFFAOYSA-N -1 3 389.466 2.059 20 30 GEEDHM N=C(NOC(=O)CCCSc1cc(-c2nn[n-]n2)ccn1)c1cccs1 ZINC000822846406 606429086 /nfs/dbraw/zinc/42/90/86/606429086.db2.gz ZUTQCUXBLCZBFG-UHFFFAOYSA-N -1 3 389.466 2.059 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822801914 606432937 /nfs/dbraw/zinc/43/29/37/606432937.db2.gz QVYYDKAPUIKSAD-MSOLQXFVSA-N -1 3 394.460 2.327 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822801914 606432939 /nfs/dbraw/zinc/43/29/39/606432939.db2.gz QVYYDKAPUIKSAD-MSOLQXFVSA-N -1 3 394.460 2.327 20 30 GEEDHM CN(CCCc1[nH]nc(N)c1C#N)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821601434 606443471 /nfs/dbraw/zinc/44/34/71/606443471.db2.gz HCCUFOVGRUCFCV-UHFFFAOYSA-N -1 3 391.361 2.131 20 30 GEEDHM CN(CCCc1[nH]nc(N)c1C#N)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821601434 606443472 /nfs/dbraw/zinc/44/34/72/606443472.db2.gz HCCUFOVGRUCFCV-UHFFFAOYSA-N -1 3 391.361 2.131 20 30 GEEDHM Brc1cn2ccnc2c(N=NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819689161 606622856 /nfs/dbraw/zinc/62/28/56/606622856.db2.gz WSVFQEURBUXETG-UHFFFAOYSA-N -1 3 384.201 2.118 20 30 GEEDHM Brc1cn2ccnc2c(N=NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819689161 606622857 /nfs/dbraw/zinc/62/28/57/606622857.db2.gz WSVFQEURBUXETG-UHFFFAOYSA-N -1 3 384.201 2.118 20 30 GEEDHM N#CCCN(CCC#N)C(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000822810633 606629493 /nfs/dbraw/zinc/62/94/93/606629493.db2.gz JWNSFHMKHWQVAS-UHFFFAOYSA-N -1 3 375.845 2.268 20 30 GEEDHM N#CCCN(CCC#N)C(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822810633 606629494 /nfs/dbraw/zinc/62/94/94/606629494.db2.gz JWNSFHMKHWQVAS-UHFFFAOYSA-N -1 3 375.845 2.268 20 30 GEEDHM C=CCN(C(C)C)S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000819740093 606638479 /nfs/dbraw/zinc/63/84/79/606638479.db2.gz ODQNOFGOGYIPPE-UHFFFAOYSA-N -1 3 386.275 2.214 20 30 GEEDHM C=CCN(C(C)C)S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000819740093 606638480 /nfs/dbraw/zinc/63/84/80/606638480.db2.gz ODQNOFGOGYIPPE-UHFFFAOYSA-N -1 3 386.275 2.214 20 30 GEEDHM Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@@H](C)CC#N)c1-c1nnn[n-]1 ZINC000822016001 606660626 /nfs/dbraw/zinc/66/06/26/606660626.db2.gz RVPXMLAMVPWOSH-LBPRGKRZSA-N -1 3 396.455 2.099 20 30 GEEDHM Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@@H](C)CC#N)c1-c1nn[n-]n1 ZINC000822016001 606660627 /nfs/dbraw/zinc/66/06/27/606660627.db2.gz RVPXMLAMVPWOSH-LBPRGKRZSA-N -1 3 396.455 2.099 20 30 GEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000820530182 606745422 /nfs/dbraw/zinc/74/54/22/606745422.db2.gz XKTBLWLMXMZWII-NSHDSACASA-N -1 3 382.355 2.314 20 30 GEEDHM N#Cc1ccc(Cl)cc1OS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822825713 606793670 /nfs/dbraw/zinc/79/36/70/606793670.db2.gz MMNDERIURLBAST-UHFFFAOYSA-N -1 3 375.797 2.301 20 30 GEEDHM N#Cc1ccc(Cl)cc1OS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822825713 606793671 /nfs/dbraw/zinc/79/36/71/606793671.db2.gz MMNDERIURLBAST-UHFFFAOYSA-N -1 3 375.797 2.301 20 30 GEEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819729155 606836714 /nfs/dbraw/zinc/83/67/14/606836714.db2.gz DOAFJSWXVDNXIL-CYBMUJFWSA-N -1 3 392.419 2.075 20 30 GEEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819729155 606836716 /nfs/dbraw/zinc/83/67/16/606836716.db2.gz DOAFJSWXVDNXIL-CYBMUJFWSA-N -1 3 392.419 2.075 20 30 GEEDHM COC(=O)c1ccc(C=NOCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821668684 606837729 /nfs/dbraw/zinc/83/77/29/606837729.db2.gz DNMFZFSAHNSHDQ-UHFFFAOYSA-N -1 3 381.392 2.473 20 30 GEEDHM COC(=O)c1ccc(C=NOCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821668684 606837730 /nfs/dbraw/zinc/83/77/30/606837730.db2.gz DNMFZFSAHNSHDQ-UHFFFAOYSA-N -1 3 381.392 2.473 20 30 GEEDHM C=CCC(CC=C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819734833 606942587 /nfs/dbraw/zinc/94/25/87/606942587.db2.gz UXNOLPKUOLZQRM-MRXNPFEDSA-N -1 3 398.492 2.475 20 30 GEEDHM C=CCC(CC=C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819734833 606942588 /nfs/dbraw/zinc/94/25/88/606942588.db2.gz UXNOLPKUOLZQRM-MRXNPFEDSA-N -1 3 398.492 2.475 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1csc2nccn12 ZINC000819743845 607010281 /nfs/dbraw/zinc/01/02/81/607010281.db2.gz QYVIXHZLZUZXBI-UHFFFAOYSA-N -1 3 379.449 2.333 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1csc2nccn12 ZINC000819743845 607010283 /nfs/dbraw/zinc/01/02/83/607010283.db2.gz QYVIXHZLZUZXBI-UHFFFAOYSA-N -1 3 379.449 2.333 20 30 GEEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1-c1cnccn1 ZINC000819765027 607016530 /nfs/dbraw/zinc/01/65/30/607016530.db2.gz MIDJGZDHRLVUCC-UHFFFAOYSA-N -1 3 377.437 2.394 20 30 GEEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1-c1cnccn1 ZINC000819765027 607016532 /nfs/dbraw/zinc/01/65/32/607016532.db2.gz MIDJGZDHRLVUCC-UHFFFAOYSA-N -1 3 377.437 2.394 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000819742929 607109868 /nfs/dbraw/zinc/10/98/68/607109868.db2.gz BXFNPDGPSLMVFB-MRXNPFEDSA-N -1 3 378.440 2.365 20 30 GEEDHM N#Cc1ccnc(NCCSCc2ccccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822842749 607165398 /nfs/dbraw/zinc/16/53/98/607165398.db2.gz WWPQQHULXKBOKB-UHFFFAOYSA-N -1 3 382.409 2.387 20 30 GEEDHM N#Cc1ccnc(NCCSCc2ccccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822842749 607165399 /nfs/dbraw/zinc/16/53/99/607165399.db2.gz WWPQQHULXKBOKB-UHFFFAOYSA-N -1 3 382.409 2.387 20 30 GEEDHM Cc1nc(SCC(=O)N(C[C@H](C)C#N)C2CC2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327399 607824348 /nfs/dbraw/zinc/82/43/48/607824348.db2.gz GEZPDACJOYCDDS-SNVBAGLBSA-N -1 3 385.497 2.430 20 30 GEEDHM Cc1nc(SCC(=O)N(C[C@H](C)C#N)C2CC2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327399 607824349 /nfs/dbraw/zinc/82/43/49/607824349.db2.gz GEZPDACJOYCDDS-SNVBAGLBSA-N -1 3 385.497 2.430 20 30 GEEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)ccc21 ZINC000826010490 607843101 /nfs/dbraw/zinc/84/31/01/607843101.db2.gz KYRQSKXEFAINER-FNORWQNLSA-N -1 3 399.414 2.320 20 30 GEEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)ccc21 ZINC000826010490 607843102 /nfs/dbraw/zinc/84/31/02/607843102.db2.gz KYRQSKXEFAINER-FNORWQNLSA-N -1 3 399.414 2.320 20 30 GEEDHM CCCCCCCCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825271124 607855199 /nfs/dbraw/zinc/85/51/99/607855199.db2.gz HKVANFRNCNJAMX-UHFFFAOYSA-N -1 3 386.504 2.454 20 30 GEEDHM CCCCCCCCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825271124 607855200 /nfs/dbraw/zinc/85/52/00/607855200.db2.gz HKVANFRNCNJAMX-UHFFFAOYSA-N -1 3 386.504 2.454 20 30 GEEDHM N#CCc1ccc(OC[C@@H](O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000826382681 607877602 /nfs/dbraw/zinc/87/76/02/607877602.db2.gz PVQUUXNJGATMJV-CQSZACIVSA-N -1 3 385.811 2.405 20 30 GEEDHM N#CCc1ccc(OC[C@@H](O)COc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000826382681 607877603 /nfs/dbraw/zinc/87/76/03/607877603.db2.gz PVQUUXNJGATMJV-CQSZACIVSA-N -1 3 385.811 2.405 20 30 GEEDHM C#CCOc1cc(F)ccc1NCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000823856704 607880318 /nfs/dbraw/zinc/88/03/18/607880318.db2.gz WKUCIZUCBWKTQX-UHFFFAOYSA-N -1 3 381.367 2.417 20 30 GEEDHM C#CCOc1cc(F)ccc1NCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000823856704 607880319 /nfs/dbraw/zinc/88/03/19/607880319.db2.gz WKUCIZUCBWKTQX-UHFFFAOYSA-N -1 3 381.367 2.417 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)c1 ZINC000826386646 608053444 /nfs/dbraw/zinc/05/34/44/608053444.db2.gz NAOORKJQRKWFKK-KRWDZBQOSA-N -1 3 377.364 2.224 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)c1 ZINC000826386646 608053445 /nfs/dbraw/zinc/05/34/45/608053445.db2.gz NAOORKJQRKWFKK-KRWDZBQOSA-N -1 3 377.364 2.224 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)c3ncc(-c4nnn[n-]4)cc3Cl)CCO2)c1 ZINC000826386391 608085572 /nfs/dbraw/zinc/08/55/72/608085572.db2.gz BUGIJZRKCQFDMA-OAHLLOKOSA-N -1 3 395.810 2.000 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)c3ncc(-c4nn[n-]n4)cc3Cl)CCO2)c1 ZINC000826386391 608085573 /nfs/dbraw/zinc/08/55/73/608085573.db2.gz BUGIJZRKCQFDMA-OAHLLOKOSA-N -1 3 395.810 2.000 20 30 GEEDHM COCC#CCOC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826147512 608104245 /nfs/dbraw/zinc/10/42/45/608104245.db2.gz ZQHAUKRDSMQALZ-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM COCC#CCOC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826147512 608104246 /nfs/dbraw/zinc/10/42/46/608104246.db2.gz ZQHAUKRDSMQALZ-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000826161785 608138915 /nfs/dbraw/zinc/13/89/15/608138915.db2.gz ZOTVOLIADSNYEI-UHFFFAOYSA-N -1 3 392.419 2.335 20 30 GEEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000826161785 608138916 /nfs/dbraw/zinc/13/89/16/608138916.db2.gz ZOTVOLIADSNYEI-UHFFFAOYSA-N -1 3 392.419 2.335 20 30 GEEDHM COC[C@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000826147790 608147289 /nfs/dbraw/zinc/14/72/89/608147289.db2.gz MCZZJAUDWIVGRA-HNNXBMFYSA-N -1 3 379.376 2.141 20 30 GEEDHM COC[C@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000826147790 608147290 /nfs/dbraw/zinc/14/72/90/608147290.db2.gz MCZZJAUDWIVGRA-HNNXBMFYSA-N -1 3 379.376 2.141 20 30 GEEDHM CCN(C(=O)CNc1ccc(-c2nnn[n-]2)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000825371723 608219892 /nfs/dbraw/zinc/21/98/92/608219892.db2.gz IWRGMAAKUQDNAD-CYBMUJFWSA-N -1 3 376.424 2.155 20 30 GEEDHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000825371723 608219894 /nfs/dbraw/zinc/21/98/94/608219894.db2.gz IWRGMAAKUQDNAD-CYBMUJFWSA-N -1 3 376.424 2.155 20 30 GEEDHM N#Cc1ccccc1N1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000826387015 608282351 /nfs/dbraw/zinc/28/23/51/608282351.db2.gz CBYWAOUQZQXDKK-UHFFFAOYSA-N -1 3 386.463 2.339 20 30 GEEDHM N#Cc1ccccc1N1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000826387015 608282352 /nfs/dbraw/zinc/28/23/52/608282352.db2.gz CBYWAOUQZQXDKK-UHFFFAOYSA-N -1 3 386.463 2.339 20 30 GEEDHM C[C@H](OC(=O)C#Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824706943 608317021 /nfs/dbraw/zinc/31/70/21/608317021.db2.gz MFTGMEVDHHKXQY-LBPRGKRZSA-N -1 3 395.806 2.442 20 30 GEEDHM C[C@H](OC(=O)C#Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824706943 608317023 /nfs/dbraw/zinc/31/70/23/608317023.db2.gz MFTGMEVDHHKXQY-LBPRGKRZSA-N -1 3 395.806 2.442 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1CN1C(=O)CSC1=CC(=O)C(C)(C)C ZINC000826168466 608321678 /nfs/dbraw/zinc/32/16/78/608321678.db2.gz NVPKIXBZFKODDZ-PXNMLYILSA-N -1 3 387.465 2.407 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1CN1C(=O)CSC1=CC(=O)C(C)(C)C ZINC000826168466 608321680 /nfs/dbraw/zinc/32/16/80/608321680.db2.gz NVPKIXBZFKODDZ-PXNMLYILSA-N -1 3 387.465 2.407 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1CN1C(=O)CSC1=CC(=O)C(C)(C)C ZINC000826168465 608322006 /nfs/dbraw/zinc/32/20/06/608322006.db2.gz NVPKIXBZFKODDZ-LZYBPNLTSA-N -1 3 387.465 2.407 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1CN1C(=O)CSC1=CC(=O)C(C)(C)C ZINC000826168465 608322008 /nfs/dbraw/zinc/32/20/08/608322008.db2.gz NVPKIXBZFKODDZ-LZYBPNLTSA-N -1 3 387.465 2.407 20 30 GEEDHM CC(C)(C)CN(CCC#N)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824086535 608331496 /nfs/dbraw/zinc/33/14/96/608331496.db2.gz MZYQBMLDJSFBHO-UHFFFAOYSA-N -1 3 380.449 2.097 20 30 GEEDHM CC(C)(C)CN(CCC#N)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824086535 608331497 /nfs/dbraw/zinc/33/14/97/608331497.db2.gz MZYQBMLDJSFBHO-UHFFFAOYSA-N -1 3 380.449 2.097 20 30 GEEDHM C=CC[C@H](NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)c1ccncc1 ZINC000823888497 608332532 /nfs/dbraw/zinc/33/25/32/608332532.db2.gz OMDCDMCGSFWMBN-INIZCTEOSA-N -1 3 388.428 2.138 20 30 GEEDHM C=CC[C@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)c1ccncc1 ZINC000823888497 608332533 /nfs/dbraw/zinc/33/25/33/608332533.db2.gz OMDCDMCGSFWMBN-INIZCTEOSA-N -1 3 388.428 2.138 20 30 GEEDHM C#CC[C@@H](NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000823838168 608340228 /nfs/dbraw/zinc/34/02/28/608340228.db2.gz KWWAQVKTPJHDGU-QGZVFWFLSA-N -1 3 385.424 2.190 20 30 GEEDHM C#CC[C@@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000823838168 608340231 /nfs/dbraw/zinc/34/02/31/608340231.db2.gz KWWAQVKTPJHDGU-QGZVFWFLSA-N -1 3 385.424 2.190 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(c2ccccc2C#N)CC1 ZINC000826170000 608357954 /nfs/dbraw/zinc/35/79/54/608357954.db2.gz LTLATCWXYBPIGT-UHFFFAOYSA-N -1 3 375.436 2.069 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000826168907 608372443 /nfs/dbraw/zinc/37/24/43/608372443.db2.gz BSBZHGSYUMXTTQ-IBGZPJMESA-N -1 3 389.463 2.258 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000826168907 608372445 /nfs/dbraw/zinc/37/24/45/608372445.db2.gz BSBZHGSYUMXTTQ-IBGZPJMESA-N -1 3 389.463 2.258 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000823915373 608447789 /nfs/dbraw/zinc/44/77/89/608447789.db2.gz WJVRSHIPTZAALI-UHFFFAOYSA-N -1 3 386.419 2.480 20 30 GEEDHM C=CCOc1cccnc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000823932077 608457314 /nfs/dbraw/zinc/45/73/14/608457314.db2.gz NDGGEAMLULUNDJ-LBPRGKRZSA-N -1 3 394.391 2.011 20 30 GEEDHM C=CCOc1cccnc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000823932077 608457316 /nfs/dbraw/zinc/45/73/16/608457316.db2.gz NDGGEAMLULUNDJ-LBPRGKRZSA-N -1 3 394.391 2.011 20 30 GEEDHM N#Cc1ccc(C2=CCN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384619 608466899 /nfs/dbraw/zinc/46/68/99/608466899.db2.gz CMBXKWXTJMVCEU-UHFFFAOYSA-N -1 3 399.458 2.144 20 30 GEEDHM C=CC[C@H](CO)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823888317 608477102 /nfs/dbraw/zinc/47/71/02/608477102.db2.gz ITTHJAWGYLOSDR-ZDUSSCGKSA-N -1 3 395.423 2.360 20 30 GEEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2c(c1)NC(=O)CO2 ZINC000823958860 608538758 /nfs/dbraw/zinc/53/87/58/608538758.db2.gz ZNRHJPXWTXOHDN-UHFFFAOYSA-N -1 3 384.787 2.082 20 30 GEEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2c(c1)NC(=O)CO2 ZINC000823958860 608538760 /nfs/dbraw/zinc/53/87/60/608538760.db2.gz ZNRHJPXWTXOHDN-UHFFFAOYSA-N -1 3 384.787 2.082 20 30 GEEDHM C=CCOc1cccnc1C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000823932293 608545012 /nfs/dbraw/zinc/54/50/12/608545012.db2.gz SPHDNJAKRDQOOV-UHFFFAOYSA-N -1 3 390.407 2.448 20 30 GEEDHM C=CCOc1cccnc1C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000823932293 608545013 /nfs/dbraw/zinc/54/50/13/608545013.db2.gz SPHDNJAKRDQOOV-UHFFFAOYSA-N -1 3 390.407 2.448 20 30 GEEDHM N#Cc1ccc(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)s1 ZINC000826384439 608556857 /nfs/dbraw/zinc/55/68/57/608556857.db2.gz VZXWCLBAFLXFML-UHFFFAOYSA-N -1 3 395.448 2.315 20 30 GEEDHM N#Cc1ccc(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)s1 ZINC000826384439 608556858 /nfs/dbraw/zinc/55/68/58/608556858.db2.gz VZXWCLBAFLXFML-UHFFFAOYSA-N -1 3 395.448 2.315 20 30 GEEDHM Cc1nnc(NC2CCC(Oc3ccc(C#N)cn3)CC2)c(-c2nnn[n-]2)c1C ZINC000826336438 608558342 /nfs/dbraw/zinc/55/83/42/608558342.db2.gz YKRFLGJJRGELIA-UHFFFAOYSA-N -1 3 391.439 2.342 20 30 GEEDHM Cc1nnc(NC2CCC(Oc3ccc(C#N)cn3)CC2)c(-c2nn[n-]n2)c1C ZINC000826336438 608558345 /nfs/dbraw/zinc/55/83/45/608558345.db2.gz YKRFLGJJRGELIA-UHFFFAOYSA-N -1 3 391.439 2.342 20 30 GEEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000824319627 609210022 /nfs/dbraw/zinc/21/00/22/609210022.db2.gz WHAROXVBGAQAJM-KRWDZBQOSA-N -1 3 378.392 2.198 20 30 GEEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000824319627 609210024 /nfs/dbraw/zinc/21/00/24/609210024.db2.gz WHAROXVBGAQAJM-KRWDZBQOSA-N -1 3 378.392 2.198 20 30 GEEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823919676 609214490 /nfs/dbraw/zinc/21/44/90/609214490.db2.gz MRYSVKSWNQBNEW-QGZVFWFLSA-N -1 3 394.391 2.023 20 30 GEEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823919676 609214491 /nfs/dbraw/zinc/21/44/91/609214491.db2.gz MRYSVKSWNQBNEW-QGZVFWFLSA-N -1 3 394.391 2.023 20 30 GEEDHM Cc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nn1CCC#N ZINC000826270217 609274514 /nfs/dbraw/zinc/27/45/14/609274514.db2.gz QHJQIXBXORIKOC-UHFFFAOYSA-N -1 3 391.439 2.482 20 30 GEEDHM Cc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)nn1CCC#N ZINC000826270217 609274515 /nfs/dbraw/zinc/27/45/15/609274515.db2.gz QHJQIXBXORIKOC-UHFFFAOYSA-N -1 3 391.439 2.482 20 30 GEEDHM CC(C)CCNC(=S)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000824249626 609303906 /nfs/dbraw/zinc/30/39/06/609303906.db2.gz QIOILEBOSAYQPI-UHFFFAOYSA-N -1 3 397.512 2.111 20 30 GEEDHM CC(C)CCNC(=S)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000824249626 609303908 /nfs/dbraw/zinc/30/39/08/609303908.db2.gz QIOILEBOSAYQPI-UHFFFAOYSA-N -1 3 397.512 2.111 20 30 GEEDHM N#CCCN(CC1CC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826381809 609361286 /nfs/dbraw/zinc/36/12/86/609361286.db2.gz ZUUXRXFQACITDH-UHFFFAOYSA-N -1 3 395.402 2.349 20 30 GEEDHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCC(CC#N)CC1 ZINC000824051612 609428231 /nfs/dbraw/zinc/42/82/31/609428231.db2.gz AJDITCWQXAPXPJ-NSHDSACASA-N -1 3 385.497 2.370 20 30 GEEDHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCC(CC#N)CC1 ZINC000824051612 609428233 /nfs/dbraw/zinc/42/82/33/609428233.db2.gz AJDITCWQXAPXPJ-NSHDSACASA-N -1 3 385.497 2.370 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H](Oc3ccc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000826385569 609436166 /nfs/dbraw/zinc/43/61/66/609436166.db2.gz RMLCKTINYXSMLY-KRWDZBQOSA-N -1 3 378.367 2.452 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H](Oc3ccc(-c4nn[n-]n4)cc3F)C2=O)cc1 ZINC000826385569 609436169 /nfs/dbraw/zinc/43/61/69/609436169.db2.gz RMLCKTINYXSMLY-KRWDZBQOSA-N -1 3 378.367 2.452 20 30 GEEDHM N#C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000826380245 609459212 /nfs/dbraw/zinc/45/92/12/609459212.db2.gz SCXFFAWIGKRTDS-GFCCVEGCSA-N -1 3 377.286 2.088 20 30 GEEDHM N#C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000826380245 609459215 /nfs/dbraw/zinc/45/92/15/609459215.db2.gz SCXFFAWIGKRTDS-GFCCVEGCSA-N -1 3 377.286 2.088 20 30 GEEDHM COc1ccc(O)c(C=N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826210179 609505121 /nfs/dbraw/zinc/50/51/21/609505121.db2.gz IDBLNSQMFYOFOZ-RHLNUJDMSA-N -1 3 392.419 2.195 20 30 GEEDHM 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GEEDHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cn1 ZINC000474154375 532607596 /nfs/dbraw/zinc/60/75/96/532607596.db2.gz RJEUTPDEWWGCDE-LBPRGKRZSA-N -1 3 399.259 2.291 20 30 GEEDHM N#CCC1(CNC(=O)c2sccc2S(=O)(=O)[N-]Cc2ccco2)CC1 ZINC000435226413 532610915 /nfs/dbraw/zinc/61/09/15/532610915.db2.gz ONIDCCPFNXMALU-UHFFFAOYSA-N -1 3 379.463 2.243 20 30 GEEDHM C=C(C)COCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000474302698 532612039 /nfs/dbraw/zinc/61/20/39/532612039.db2.gz IQYFXUJYHHTZMI-UHFFFAOYSA-N -1 3 390.527 2.099 20 30 GEEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000285019403 532639936 /nfs/dbraw/zinc/63/99/36/532639936.db2.gz HLUJKTWEORAHBU-NSHDSACASA-N -1 3 394.272 2.281 20 30 GEEDHM C[C@]1(C#N)CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000598417230 532648756 /nfs/dbraw/zinc/64/87/56/532648756.db2.gz JGTNTNUBHAHJLK-CQSZACIVSA-N -1 3 375.372 2.453 20 30 GEEDHM C=CCN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000569178057 532691037 /nfs/dbraw/zinc/69/10/37/532691037.db2.gz URFXKBGSWNWNHI-UHFFFAOYSA-N -1 3 381.679 2.025 20 30 GEEDHM N#Cc1nc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1Cl ZINC000440674315 532720441 /nfs/dbraw/zinc/72/04/41/532720441.db2.gz QRFVQHFTHLTYAT-UHFFFAOYSA-N -1 3 389.239 2.790 20 30 GEEDHM C[C@@H]1CN(CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H](C)O1 ZINC000443512534 532748548 /nfs/dbraw/zinc/74/85/48/532748548.db2.gz STHGUEVQPJDUJY-ZIAGYGMSSA-N -1 3 385.917 2.379 20 30 GEEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000320150108 532786469 /nfs/dbraw/zinc/78/64/69/532786469.db2.gz AFQQFXNSNGCMKG-LBPRGKRZSA-N -1 3 378.288 2.453 20 30 GEEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000548457062 532791100 /nfs/dbraw/zinc/79/11/00/532791100.db2.gz CFSSTMPBMITHHB-HZPDHXFCSA-N -1 3 383.901 2.133 20 30 GEEDHM CCc1onc(C)c1[N-]C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000328881353 532799015 /nfs/dbraw/zinc/79/90/15/532799015.db2.gz LELLHSJJGODITH-UHFFFAOYSA-N -1 3 385.467 2.264 20 30 GEEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C#N)CCCCC2)cc1F ZINC000272242870 532814394 /nfs/dbraw/zinc/81/43/94/532814394.db2.gz AXFXLMUTGAUHDM-UHFFFAOYSA-N -1 3 389.474 2.092 20 30 GEEDHM CC[C@@H](CC#N)NC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000273849500 532835643 /nfs/dbraw/zinc/83/56/43/532835643.db2.gz JOTFZUUFRJNLBD-GXTWGEPZSA-N -1 3 387.502 2.034 20 30 GEEDHM C=CCCOCCNC(=O)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000289485219 532856075 /nfs/dbraw/zinc/85/60/75/532856075.db2.gz XSWWFVNOTOZXCM-UHFFFAOYSA-N -1 3 399.285 2.212 20 30 GEEDHM CSC[C@@](C)(C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000289916610 532867749 /nfs/dbraw/zinc/86/77/49/532867749.db2.gz LXFZCUOXXCOMAD-MRXNPFEDSA-N -1 3 387.502 2.278 20 30 GEEDHM CC1(C#N)CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000290355503 532878940 /nfs/dbraw/zinc/87/89/40/532878940.db2.gz IAAONRPVBYBXMV-UHFFFAOYSA-N -1 3 390.292 2.424 20 30 GEEDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(c2ncc(C#N)cc2Cl)C1 ZINC000364107025 532903424 /nfs/dbraw/zinc/90/34/24/532903424.db2.gz OCFMJJOLDYTYHK-NSHDSACASA-N -1 3 380.861 2.085 20 30 GEEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1Br ZINC000737675096 598826310 /nfs/dbraw/zinc/82/63/10/598826310.db2.gz MLQYYAAGIAMTKY-CYBMUJFWSA-N -1 3 384.197 2.019 20 30 GEEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1Br ZINC000737675096 598826311 /nfs/dbraw/zinc/82/63/11/598826311.db2.gz MLQYYAAGIAMTKY-CYBMUJFWSA-N -1 3 384.197 2.019 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnc(-n2cccn2)c1 ZINC000735418206 598830473 /nfs/dbraw/zinc/83/04/73/598830473.db2.gz DDZMJIBZJJUAKU-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnc(-n2cccn2)c1 ZINC000735418206 598830474 /nfs/dbraw/zinc/83/04/74/598830474.db2.gz DDZMJIBZJJUAKU-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnc(N2CCCC2)n1 ZINC000735420735 598831508 /nfs/dbraw/zinc/83/15/08/598831508.db2.gz RLUZDLYDYPVCIC-UHFFFAOYSA-N -1 3 390.451 2.085 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnc(N2CCCC2)n1 ZINC000735420735 598831510 /nfs/dbraw/zinc/83/15/10/598831510.db2.gz RLUZDLYDYPVCIC-UHFFFAOYSA-N -1 3 390.451 2.085 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](OC)C(F)(F)F ZINC000735420802 598853149 /nfs/dbraw/zinc/85/31/49/598853149.db2.gz UELYAVHBVHDLTE-CYBMUJFWSA-N -1 3 384.362 2.142 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](OC)C(F)(F)F ZINC000735420802 598853150 /nfs/dbraw/zinc/85/31/50/598853150.db2.gz UELYAVHBVHDLTE-CYBMUJFWSA-N -1 3 384.362 2.142 20 30 GEEDHM C#CCSCCNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000735387840 598856272 /nfs/dbraw/zinc/85/62/72/598856272.db2.gz HRMLMBJSNYLVBW-UHFFFAOYSA-N -1 3 376.392 2.217 20 30 GEEDHM C#CCSCCNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000735387840 598856274 /nfs/dbraw/zinc/85/62/74/598856274.db2.gz HRMLMBJSNYLVBW-UHFFFAOYSA-N -1 3 376.392 2.217 20 30 GEEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736309855 598866984 /nfs/dbraw/zinc/86/69/84/598866984.db2.gz SUWTUJPEEWVTBJ-KRWDZBQOSA-N -1 3 376.420 2.407 20 30 GEEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736309855 598866985 /nfs/dbraw/zinc/86/69/85/598866985.db2.gz SUWTUJPEEWVTBJ-KRWDZBQOSA-N -1 3 376.420 2.407 20 30 GEEDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)COc1ccccc1C#N ZINC000736036521 598884347 /nfs/dbraw/zinc/88/43/47/598884347.db2.gz CEQGQYHPYXKRRG-ZDUSSCGKSA-N -1 3 379.376 2.128 20 30 GEEDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)COc1ccccc1C#N ZINC000736036521 598884349 /nfs/dbraw/zinc/88/43/49/598884349.db2.gz CEQGQYHPYXKRRG-ZDUSSCGKSA-N -1 3 379.376 2.128 20 30 GEEDHM N#Cc1cc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)ccc1-c1nnn[n-]1 ZINC000737706224 598914065 /nfs/dbraw/zinc/91/40/65/598914065.db2.gz WPHADAVXSLGNMG-CYBMUJFWSA-N -1 3 387.403 2.268 20 30 GEEDHM N#Cc1cc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)ccc1-c1nn[n-]n1 ZINC000737706224 598914066 /nfs/dbraw/zinc/91/40/66/598914066.db2.gz WPHADAVXSLGNMG-CYBMUJFWSA-N -1 3 387.403 2.268 20 30 GEEDHM N#Cc1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC000737709251 598915820 /nfs/dbraw/zinc/91/58/20/598915820.db2.gz LZSNAGIMZZAFPL-UHFFFAOYSA-N -1 3 390.363 2.473 20 30 GEEDHM N#Cc1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC000737709251 598915821 /nfs/dbraw/zinc/91/58/21/598915821.db2.gz LZSNAGIMZZAFPL-UHFFFAOYSA-N -1 3 390.363 2.473 20 30 GEEDHM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735724587 598916454 /nfs/dbraw/zinc/91/64/54/598916454.db2.gz MVCHGPQEPJPXDE-OAHLLOKOSA-N -1 3 395.448 2.193 20 30 GEEDHM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735724587 598916455 /nfs/dbraw/zinc/91/64/55/598916455.db2.gz MVCHGPQEPJPXDE-OAHLLOKOSA-N -1 3 395.448 2.193 20 30 GEEDHM N#Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000737716908 598917962 /nfs/dbraw/zinc/91/79/62/598917962.db2.gz WNUKNCADWCZLJH-UHFFFAOYSA-N -1 3 381.377 2.377 20 30 GEEDHM N#Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000737716908 598917963 /nfs/dbraw/zinc/91/79/63/598917963.db2.gz WNUKNCADWCZLJH-UHFFFAOYSA-N -1 3 381.377 2.377 20 30 GEEDHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000735499651 598924451 /nfs/dbraw/zinc/92/44/51/598924451.db2.gz QSJNFXBQIJKQOG-LBPRGKRZSA-N -1 3 376.376 2.347 20 30 GEEDHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000735499651 598924454 /nfs/dbraw/zinc/92/44/54/598924454.db2.gz QSJNFXBQIJKQOG-LBPRGKRZSA-N -1 3 376.376 2.347 20 30 GEEDHM CCOCCOc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736626484 598925369 /nfs/dbraw/zinc/92/53/69/598925369.db2.gz PKRODFKKQYGGSY-UHFFFAOYSA-N -1 3 378.392 2.406 20 30 GEEDHM CCOCCOc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736626484 598925371 /nfs/dbraw/zinc/92/53/71/598925371.db2.gz PKRODFKKQYGGSY-UHFFFAOYSA-N -1 3 378.392 2.406 20 30 GEEDHM N#Cc1ccc(CSCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737718951 598927293 /nfs/dbraw/zinc/92/72/93/598927293.db2.gz QNTOQZJGACOWPS-UHFFFAOYSA-N -1 3 375.417 2.482 20 30 GEEDHM N#Cc1ccc(CSCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737718951 598927294 /nfs/dbraw/zinc/92/72/94/598927294.db2.gz QNTOQZJGACOWPS-UHFFFAOYSA-N -1 3 375.417 2.482 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(CCC#N)c1ccc(F)cc1 ZINC000737220524 598950721 /nfs/dbraw/zinc/95/07/21/598950721.db2.gz DZJBZYBEBHIKKJ-UHFFFAOYSA-N -1 3 386.412 2.423 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(CCC#N)c1ccc(F)cc1 ZINC000737220524 598950723 /nfs/dbraw/zinc/95/07/23/598950723.db2.gz DZJBZYBEBHIKKJ-UHFFFAOYSA-N -1 3 386.412 2.423 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000735426130 598954148 /nfs/dbraw/zinc/95/41/48/598954148.db2.gz KYYBNVGNKSYFSM-UHFFFAOYSA-N -1 3 394.460 2.424 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000735426130 598954150 /nfs/dbraw/zinc/95/41/50/598954150.db2.gz KYYBNVGNKSYFSM-UHFFFAOYSA-N -1 3 394.460 2.424 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCON=C1CCOc2ccccc21 ZINC000737033007 598977864 /nfs/dbraw/zinc/97/78/64/598977864.db2.gz QXXTVWNVROKQIP-UHFFFAOYSA-N -1 3 381.392 2.458 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCON=C1CCOc2ccccc21 ZINC000737033007 598977865 /nfs/dbraw/zinc/97/78/65/598977865.db2.gz QXXTVWNVROKQIP-UHFFFAOYSA-N -1 3 381.392 2.458 20 30 GEEDHM C=CCCCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735412489 598978650 /nfs/dbraw/zinc/97/86/50/598978650.db2.gz DBTXTVPIKMFUNA-OAHLLOKOSA-N -1 3 377.470 2.003 20 30 GEEDHM C=CCCCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735412489 598978652 /nfs/dbraw/zinc/97/86/52/598978652.db2.gz DBTXTVPIKMFUNA-OAHLLOKOSA-N -1 3 377.470 2.003 20 30 GEEDHM Cc1cc(C#N)ccc1S(=O)(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737231267 599002646 /nfs/dbraw/zinc/00/26/46/599002646.db2.gz MASSNJRXZMOJQV-UHFFFAOYSA-N -1 3 394.460 2.400 20 30 GEEDHM Cc1cc(C#N)ccc1S(=O)(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737231267 599002648 /nfs/dbraw/zinc/00/26/48/599002648.db2.gz MASSNJRXZMOJQV-UHFFFAOYSA-N -1 3 394.460 2.400 20 30 GEEDHM N#Cc1ccc([C@@H](Sc2nc3c(cc2-c2nnn[n-]2)CCCC3)C(N)=O)cc1 ZINC000737711698 599013042 /nfs/dbraw/zinc/01/30/42/599013042.db2.gz JKKAYPDQDKYIAG-MRXNPFEDSA-N -1 3 391.460 2.331 20 30 GEEDHM N#Cc1ccc([C@@H](Sc2nc3c(cc2-c2nn[n-]n2)CCCC3)C(N)=O)cc1 ZINC000737711698 599013044 /nfs/dbraw/zinc/01/30/44/599013044.db2.gz JKKAYPDQDKYIAG-MRXNPFEDSA-N -1 3 391.460 2.331 20 30 GEEDHM N#Cc1ccc(C(F)(F)F)nc1NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737712829 599042432 /nfs/dbraw/zinc/04/24/32/599042432.db2.gz VLXCUJNYBCGEKC-UHFFFAOYSA-N -1 3 375.318 2.071 20 30 GEEDHM N#Cc1ccc(C(F)(F)F)nc1NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737712829 599042433 /nfs/dbraw/zinc/04/24/33/599042433.db2.gz VLXCUJNYBCGEKC-UHFFFAOYSA-N -1 3 375.318 2.071 20 30 GEEDHM C#Cc1cccc(NC(=O)CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000735391337 599046301 /nfs/dbraw/zinc/04/63/01/599046301.db2.gz PXFHKEWXYVPBIV-UHFFFAOYSA-N -1 3 387.325 2.312 20 30 GEEDHM C#Cc1cccc(NC(=O)CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000735391337 599046303 /nfs/dbraw/zinc/04/63/03/599046303.db2.gz PXFHKEWXYVPBIV-UHFFFAOYSA-N -1 3 387.325 2.312 20 30 GEEDHM COc1ccc(C=NNC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1-c1nnn[n-]1 ZINC000737082539 599126626 /nfs/dbraw/zinc/12/66/26/599126626.db2.gz WZPUQNWKPRUIOP-SLEUVZQESA-N -1 3 387.513 2.498 20 30 GEEDHM COc1ccc(C=NNC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1-c1nn[n-]n1 ZINC000737082539 599126628 /nfs/dbraw/zinc/12/66/28/599126628.db2.gz WZPUQNWKPRUIOP-SLEUVZQESA-N -1 3 387.513 2.498 20 30 GEEDHM CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736700597 599152596 /nfs/dbraw/zinc/15/25/96/599152596.db2.gz VIRUCWMIXVYRRF-OAHLLOKOSA-N -1 3 389.419 2.348 20 30 GEEDHM N#Cc1cc(NC(=O)c2cccc(OCC(F)(F)F)n2)ccc1-c1nnn[n-]1 ZINC000737709215 599196517 /nfs/dbraw/zinc/19/65/17/599196517.db2.gz LKOCVLLRRXIOPI-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM N#Cc1cc(NC(=O)c2cccc(OCC(F)(F)F)n2)ccc1-c1nn[n-]n1 ZINC000737709215 599196519 /nfs/dbraw/zinc/19/65/19/599196519.db2.gz LKOCVLLRRXIOPI-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM CC(=O)CCc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735459388 599197440 /nfs/dbraw/zinc/19/74/40/599197440.db2.gz ZLBVOIMZQAZHOC-UHFFFAOYSA-N -1 3 390.403 2.277 20 30 GEEDHM CC(=O)CCc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735459388 599197442 /nfs/dbraw/zinc/19/74/42/599197442.db2.gz ZLBVOIMZQAZHOC-UHFFFAOYSA-N -1 3 390.403 2.277 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000735426358 599203078 /nfs/dbraw/zinc/20/30/78/599203078.db2.gz PYIQZJHJDMKXEV-HXUWFJFHSA-N -1 3 382.468 2.233 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000735426358 599203081 /nfs/dbraw/zinc/20/30/81/599203081.db2.gz PYIQZJHJDMKXEV-HXUWFJFHSA-N -1 3 382.468 2.233 20 30 GEEDHM COCCN(C(=O)c1ccccc1OCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987456 599203122 /nfs/dbraw/zinc/20/31/22/599203122.db2.gz CPXUIEISHLSULW-UHFFFAOYSA-N -1 3 378.392 2.062 20 30 GEEDHM COCCN(C(=O)c1ccccc1OCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987456 599203124 /nfs/dbraw/zinc/20/31/24/599203124.db2.gz CPXUIEISHLSULW-UHFFFAOYSA-N -1 3 378.392 2.062 20 30 GEEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCCNc3ccc(C#N)cn3)c2c1 ZINC000737248715 599270508 /nfs/dbraw/zinc/27/05/08/599270508.db2.gz LUHWFGQAOZTOLR-UHFFFAOYSA-N -1 3 385.435 2.244 20 30 GEEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCCNc3ccc(C#N)cn3)c2c1 ZINC000737248715 599270510 /nfs/dbraw/zinc/27/05/10/599270510.db2.gz LUHWFGQAOZTOLR-UHFFFAOYSA-N -1 3 385.435 2.244 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1cc(C)cc(F)c1 ZINC000819743440 607319092 /nfs/dbraw/zinc/31/90/92/607319092.db2.gz JRFSBLCYUVPQRQ-UHFFFAOYSA-N -1 3 394.410 2.468 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1cc(C)cc(F)c1 ZINC000819743440 607319093 /nfs/dbraw/zinc/31/90/93/607319093.db2.gz JRFSBLCYUVPQRQ-UHFFFAOYSA-N -1 3 394.410 2.468 20 30 GEEDHM CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000282120467 598253657 /nfs/dbraw/zinc/25/36/57/598253657.db2.gz HPGJDILTEGMTDO-UHFFFAOYSA-N -1 3 382.877 2.471 20 30 GEEDHM CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000282120467 598253659 /nfs/dbraw/zinc/25/36/59/598253659.db2.gz HPGJDILTEGMTDO-UHFFFAOYSA-N -1 3 382.877 2.471 20 30 GEEDHM C#CCn1c(-c2ccc(-c3nnn[n-]3)cc2)csc1=Nc1cnn(CC)c1 ZINC000735388298 598293525 /nfs/dbraw/zinc/29/35/25/598293525.db2.gz XBRQFKUBVFRRSE-UHFFFAOYSA-N -1 3 376.449 2.479 20 30 GEEDHM C#CCn1c(-c2ccc(-c3nn[n-]n3)cc2)csc1=Nc1cnn(CC)c1 ZINC000735388298 598293526 /nfs/dbraw/zinc/29/35/26/598293526.db2.gz XBRQFKUBVFRRSE-UHFFFAOYSA-N -1 3 376.449 2.479 20 30 GEEDHM C=CCc1ccc(OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC000735442518 598304516 /nfs/dbraw/zinc/30/45/16/598304516.db2.gz FCUJOHKXGBDKTK-UHFFFAOYSA-N -1 3 397.410 2.438 20 30 GEEDHM C=CCc1ccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000735442518 598304517 /nfs/dbraw/zinc/30/45/17/598304517.db2.gz FCUJOHKXGBDKTK-UHFFFAOYSA-N -1 3 397.410 2.438 20 30 GEEDHM Cc1c(C(=O)C=Cc2ccc(-n3cncn3)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203279 598378593 /nfs/dbraw/zinc/37/85/93/598378593.db2.gz SUHCJRJFAWQJPZ-TWGQIWQCSA-N -1 3 386.419 2.400 20 30 GEEDHM Cc1c(C(=O)C=Cc2ccc(-n3cncn3)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203279 598378595 /nfs/dbraw/zinc/37/85/95/598378595.db2.gz SUHCJRJFAWQJPZ-TWGQIWQCSA-N -1 3 386.419 2.400 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1c(C)noc1C ZINC000735420732 598432899 /nfs/dbraw/zinc/43/28/99/598432899.db2.gz RIPYPNWBIODJNI-UHFFFAOYSA-N -1 3 381.440 2.412 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1c(C)noc1C ZINC000735420732 598432901 /nfs/dbraw/zinc/43/29/01/598432901.db2.gz RIPYPNWBIODJNI-UHFFFAOYSA-N -1 3 381.440 2.412 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CN(C)C(=O)OC(C)(C)C ZINC000735420848 598529422 /nfs/dbraw/zinc/52/94/22/598529422.db2.gz UUGUHNHECJSEKA-UHFFFAOYSA-N -1 3 386.456 2.248 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CN(C)C(=O)OC(C)(C)C ZINC000735420848 598529423 /nfs/dbraw/zinc/52/94/23/598529423.db2.gz UUGUHNHECJSEKA-UHFFFAOYSA-N -1 3 386.456 2.248 20 30 GEEDHM N#Cc1ccccc1OCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737727482 598547084 /nfs/dbraw/zinc/54/70/84/598547084.db2.gz OHRFGEOGETUNDM-UHFFFAOYSA-N -1 3 386.318 2.357 20 30 GEEDHM N#Cc1ccccc1OCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737727482 598547085 /nfs/dbraw/zinc/54/70/85/598547085.db2.gz OHRFGEOGETUNDM-UHFFFAOYSA-N -1 3 386.318 2.357 20 30 GEEDHM S=C(NN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)NC1CC1 ZINC000738402150 598547776 /nfs/dbraw/zinc/54/77/76/598547776.db2.gz XUWCUGBKPTXYFB-UHFFFAOYSA-N -1 3 393.476 2.406 20 30 GEEDHM S=C(NN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)NC1CC1 ZINC000738402150 598547778 /nfs/dbraw/zinc/54/77/78/598547778.db2.gz XUWCUGBKPTXYFB-UHFFFAOYSA-N -1 3 393.476 2.406 20 30 GEEDHM N#CCCN(CCC#N)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737685227 598548708 /nfs/dbraw/zinc/54/87/08/598548708.db2.gz BABPLDBDMYMHJI-UHFFFAOYSA-N -1 3 391.391 2.308 20 30 GEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000736813672 598577102 /nfs/dbraw/zinc/57/71/02/598577102.db2.gz LWONYXSBCDEHNF-LJQANCHMSA-N -1 3 387.447 2.366 20 30 GEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000736813672 598577103 /nfs/dbraw/zinc/57/71/03/598577103.db2.gz LWONYXSBCDEHNF-LJQANCHMSA-N -1 3 387.447 2.366 20 30 GEEDHM Cc1cc(C(=O)N[C@@]2(C#N)CCSC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234431 598611990 /nfs/dbraw/zinc/61/19/90/598611990.db2.gz KWZMIGHOHPCOMA-LJQANCHMSA-N -1 3 393.476 2.403 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000735426585 598692819 /nfs/dbraw/zinc/69/28/19/598692819.db2.gz SBJGDRDPBNMZTO-UHFFFAOYSA-N -1 3 398.423 2.254 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000735426585 598692820 /nfs/dbraw/zinc/69/28/20/598692820.db2.gz SBJGDRDPBNMZTO-UHFFFAOYSA-N -1 3 398.423 2.254 20 30 GEEDHM N#CCC(=O)Nc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737686376 598702878 /nfs/dbraw/zinc/70/28/78/598702878.db2.gz WTXZWAOSAPSZAT-UHFFFAOYSA-N -1 3 380.339 2.215 20 30 GEEDHM N#CCC(=O)Nc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737686376 598702879 /nfs/dbraw/zinc/70/28/79/598702879.db2.gz WTXZWAOSAPSZAT-UHFFFAOYSA-N -1 3 380.339 2.215 20 30 GEEDHM N#Cc1ccc(OCCOC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737722603 598714097 /nfs/dbraw/zinc/71/40/97/598714097.db2.gz XEBPHSUAMZNBSG-UHFFFAOYSA-N -1 3 381.417 2.453 20 30 GEEDHM N#Cc1ccc(OCCOC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737722603 598714098 /nfs/dbraw/zinc/71/40/98/598714098.db2.gz XEBPHSUAMZNBSG-UHFFFAOYSA-N -1 3 381.417 2.453 20 30 GEEDHM C=CCN(CC1CCCCC1)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735416975 598760471 /nfs/dbraw/zinc/76/04/71/598760471.db2.gz VPGUIDKHKMVQLO-UHFFFAOYSA-N -1 3 384.488 2.452 20 30 GEEDHM C=CCN(CC1CCCCC1)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735416975 598760472 /nfs/dbraw/zinc/76/04/72/598760472.db2.gz VPGUIDKHKMVQLO-UHFFFAOYSA-N -1 3 384.488 2.452 20 30 GEEDHM Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)c(-c2nnn[n-]2)c1C ZINC000737520861 598797985 /nfs/dbraw/zinc/79/79/85/598797985.db2.gz JJZLMSQLTPRXKH-UHFFFAOYSA-N -1 3 376.424 2.193 20 30 GEEDHM Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)c(-c2nn[n-]n2)c1C ZINC000737520861 598797987 /nfs/dbraw/zinc/79/79/87/598797987.db2.gz JJZLMSQLTPRXKH-UHFFFAOYSA-N -1 3 376.424 2.193 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820438792 599324312 /nfs/dbraw/zinc/32/43/12/599324312.db2.gz WTFVOZORLFNWCT-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820438792 599324315 /nfs/dbraw/zinc/32/43/15/599324315.db2.gz WTFVOZORLFNWCT-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820438793 599324419 /nfs/dbraw/zinc/32/44/19/599324419.db2.gz WTFVOZORLFNWCT-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820438793 599324422 /nfs/dbraw/zinc/32/44/22/599324422.db2.gz WTFVOZORLFNWCT-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM N#CCn1c(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc2ccccc21 ZINC000826382387 607372234 /nfs/dbraw/zinc/37/22/34/607372234.db2.gz BUHYOVRLRPQIKP-UHFFFAOYSA-N -1 3 386.371 2.385 20 30 GEEDHM N#CCn1c(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc2ccccc21 ZINC000826382387 607372235 /nfs/dbraw/zinc/37/22/35/607372235.db2.gz BUHYOVRLRPQIKP-UHFFFAOYSA-N -1 3 386.371 2.385 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(C#N)c2n1CCC2 ZINC000737201709 599462662 /nfs/dbraw/zinc/46/26/62/599462662.db2.gz HTXLLCAJYCQYEK-AATRIKPKSA-N -1 3 384.403 2.338 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(C#N)c2n1CCC2 ZINC000737201709 599462664 /nfs/dbraw/zinc/46/26/64/599462664.db2.gz HTXLLCAJYCQYEK-AATRIKPKSA-N -1 3 384.403 2.338 20 30 GEEDHM COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821703259 599512186 /nfs/dbraw/zinc/51/21/86/599512186.db2.gz WYKIAHRXPVASNI-LBPRGKRZSA-N -1 3 378.392 2.003 20 30 GEEDHM COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821703259 599512189 /nfs/dbraw/zinc/51/21/89/599512189.db2.gz WYKIAHRXPVASNI-LBPRGKRZSA-N -1 3 378.392 2.003 20 30 GEEDHM N#Cc1cc(NC(=O)c2sccc2-c2nnn[n-]2)ccc1N1CCC(O)CC1 ZINC000822823434 599558410 /nfs/dbraw/zinc/55/84/10/599558410.db2.gz PZXINHWBVOUVEY-UHFFFAOYSA-N -1 3 395.448 2.013 20 30 GEEDHM N#Cc1cc(NC(=O)c2sccc2-c2nn[n-]n2)ccc1N1CCC(O)CC1 ZINC000822823434 599558412 /nfs/dbraw/zinc/55/84/12/599558412.db2.gz PZXINHWBVOUVEY-UHFFFAOYSA-N -1 3 395.448 2.013 20 30 GEEDHM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000819746075 599600567 /nfs/dbraw/zinc/60/05/67/599600567.db2.gz ZJKUKHKRKAOZJI-UHFFFAOYSA-N -1 3 376.420 2.328 20 30 GEEDHM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000819746075 599600569 /nfs/dbraw/zinc/60/05/69/599600569.db2.gz ZJKUKHKRKAOZJI-UHFFFAOYSA-N -1 3 376.420 2.328 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820316982 599618872 /nfs/dbraw/zinc/61/88/72/599618872.db2.gz YICXZDFXXGMVPX-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820316982 599618874 /nfs/dbraw/zinc/61/88/74/599618874.db2.gz YICXZDFXXGMVPX-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826256782 607386842 /nfs/dbraw/zinc/38/68/42/607386842.db2.gz AAZSWPSZOFCRDT-LBPRGKRZSA-N -1 3 376.376 2.231 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826256782 607386844 /nfs/dbraw/zinc/38/68/44/607386844.db2.gz AAZSWPSZOFCRDT-LBPRGKRZSA-N -1 3 376.376 2.231 20 30 GEEDHM N#CCc1cccc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822815402 599657118 /nfs/dbraw/zinc/65/71/18/599657118.db2.gz QXUVZGXGGOIUAM-UHFFFAOYSA-N -1 3 387.359 2.340 20 30 GEEDHM N#CCc1cccc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822815402 599657119 /nfs/dbraw/zinc/65/71/19/599657119.db2.gz QXUVZGXGGOIUAM-UHFFFAOYSA-N -1 3 387.359 2.340 20 30 GEEDHM CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000821937899 607459326 /nfs/dbraw/zinc/45/93/26/607459326.db2.gz SJWLAZDVCQRKME-GQCTYLIASA-N -1 3 390.371 2.445 20 30 GEEDHM CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000821937899 607459327 /nfs/dbraw/zinc/45/93/27/607459327.db2.gz SJWLAZDVCQRKME-GQCTYLIASA-N -1 3 390.371 2.445 20 30 GEEDHM N#Cc1c(NC(=O)CCN2CCSC[C@H]2CC(=O)[O-])sc2c1CCC2 ZINC000833067366 601020008 /nfs/dbraw/zinc/02/00/08/601020008.db2.gz BAMBHMGUPRFJOG-LLVKDONJSA-N -1 3 379.507 2.329 20 30 GEEDHM CC(C)c1nc(CN(C)[C@@H]2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)no1 ZINC000827152148 601027757 /nfs/dbraw/zinc/02/77/57/601027757.db2.gz AXARBZWNXNXIIS-SJLPKXTDSA-N -1 3 383.452 2.397 20 30 GEEDHM COc1ccc(CNC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000826197880 607574130 /nfs/dbraw/zinc/57/41/30/607574130.db2.gz FZDZPWPQPKMDHJ-UHFFFAOYSA-N -1 3 377.408 2.089 20 30 GEEDHM COc1ccc(CNC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000826197880 607574131 /nfs/dbraw/zinc/57/41/31/607574131.db2.gz FZDZPWPQPKMDHJ-UHFFFAOYSA-N -1 3 377.408 2.089 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824641363 607586518 /nfs/dbraw/zinc/58/65/18/607586518.db2.gz VAZYKZDHPHVIOL-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM COc1ccc(COC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826204300 607596922 /nfs/dbraw/zinc/59/69/22/607596922.db2.gz GAGLEMLMWDNRAT-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(COC(=O)[C@@H](C)Oc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000826204733 607600318 /nfs/dbraw/zinc/60/03/18/607600318.db2.gz XLJBBEWOILEVCX-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(COC(=O)[C@@H](C)Oc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000826204733 607600321 /nfs/dbraw/zinc/60/03/21/607600321.db2.gz XLJBBEWOILEVCX-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826383048 607610494 /nfs/dbraw/zinc/61/04/94/607610494.db2.gz HYUZTGKEOWAATE-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826383048 607610496 /nfs/dbraw/zinc/61/04/96/607610496.db2.gz HYUZTGKEOWAATE-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1F ZINC000826386066 607612431 /nfs/dbraw/zinc/61/24/31/607612431.db2.gz NPOPQWCRUFQWKG-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM C=CC[C@@H](NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccncc1 ZINC000823888589 607621043 /nfs/dbraw/zinc/62/10/43/607621043.db2.gz RDEJTXJKIWVLDP-MRXNPFEDSA-N -1 3 379.424 2.387 20 30 GEEDHM C=CC[C@@H](NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccncc1 ZINC000823888589 607621045 /nfs/dbraw/zinc/62/10/45/607621045.db2.gz RDEJTXJKIWVLDP-MRXNPFEDSA-N -1 3 379.424 2.387 20 30 GEEDHM C=C(Br)CN1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823874377 607655873 /nfs/dbraw/zinc/65/58/73/607655873.db2.gz VUADGXLBTDTYTE-UHFFFAOYSA-N -1 3 391.273 2.426 20 30 GEEDHM C=C(Br)CN1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823874377 607655875 /nfs/dbraw/zinc/65/58/75/607655875.db2.gz VUADGXLBTDTYTE-UHFFFAOYSA-N -1 3 391.273 2.426 20 30 GEEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)cc1OC ZINC000829442892 604221865 /nfs/dbraw/zinc/22/18/65/604221865.db2.gz SPCIYHDSXXCNAP-SGMGOOAPSA-N -1 3 389.408 2.178 20 30 GEEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)cc1OC ZINC000829442890 604221986 /nfs/dbraw/zinc/22/19/86/604221986.db2.gz SPCIYHDSXXCNAP-MBNYWOFBSA-N -1 3 389.408 2.178 20 30 GEEDHM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820254138 606148955 /nfs/dbraw/zinc/14/89/55/606148955.db2.gz NANJFUPVWVTSLF-LLVKDONJSA-N -1 3 385.428 2.180 20 30 GEEDHM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820254138 606148956 /nfs/dbraw/zinc/14/89/56/606148956.db2.gz NANJFUPVWVTSLF-LLVKDONJSA-N -1 3 385.428 2.180 20 30 GEEDHM N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)s2)cc1 ZINC000822825933 606251544 /nfs/dbraw/zinc/25/15/44/606251544.db2.gz QWVLIVUSCNPKDD-UHFFFAOYSA-N -1 3 376.405 2.366 20 30 GEEDHM N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)s2)cc1 ZINC000822825933 606251545 /nfs/dbraw/zinc/25/15/45/606251545.db2.gz QWVLIVUSCNPKDD-UHFFFAOYSA-N -1 3 376.405 2.366 20 30 GEEDHM COCCN(CCC#N)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821689392 606280485 /nfs/dbraw/zinc/28/04/85/606280485.db2.gz YMEIIXPRXQCRQL-UHFFFAOYSA-N -1 3 393.451 2.277 20 30 GEEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000822805980 606301571 /nfs/dbraw/zinc/30/15/71/606301571.db2.gz HQDCTGLXJXAPLF-BBRMVZONSA-N -1 3 378.392 2.461 20 30 GEEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000822805980 606301573 /nfs/dbraw/zinc/30/15/73/606301573.db2.gz HQDCTGLXJXAPLF-BBRMVZONSA-N -1 3 378.392 2.461 20 30 GEEDHM Cc1nc(C)c(C#N)c(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)n1 ZINC000822427384 606311144 /nfs/dbraw/zinc/31/11/44/606311144.db2.gz LQEGTIRPLYIGQA-LBPRGKRZSA-N -1 3 398.477 2.104 20 30 GEEDHM Cc1nc(C)c(C#N)c(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)n1 ZINC000822427384 606311147 /nfs/dbraw/zinc/31/11/47/606311147.db2.gz LQEGTIRPLYIGQA-LBPRGKRZSA-N -1 3 398.477 2.104 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@@H](C)n1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000819722532 606366959 /nfs/dbraw/zinc/36/69/59/606366959.db2.gz LYCNKWYCLRJOFI-CYBMUJFWSA-N -1 3 380.456 2.419 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@@H](C)n1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000819722532 606366960 /nfs/dbraw/zinc/36/69/60/606366960.db2.gz LYCNKWYCLRJOFI-CYBMUJFWSA-N -1 3 380.456 2.419 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccccc1CC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000821648876 606368900 /nfs/dbraw/zinc/36/89/00/606368900.db2.gz VYOJDCZUHZWWRY-MRXNPFEDSA-N -1 3 377.360 2.004 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccccc1CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000821648876 606368901 /nfs/dbraw/zinc/36/89/01/606368901.db2.gz VYOJDCZUHZWWRY-MRXNPFEDSA-N -1 3 377.360 2.004 20 30 GEEDHM C=CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000819759501 606381830 /nfs/dbraw/zinc/38/18/30/606381830.db2.gz XUMIBCXQPYACQQ-UHFFFAOYSA-N -1 3 398.448 2.279 20 30 GEEDHM C=CCSc1ccccc1NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000819759501 606381832 /nfs/dbraw/zinc/38/18/32/606381832.db2.gz XUMIBCXQPYACQQ-UHFFFAOYSA-N -1 3 398.448 2.279 20 30 GEEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(-c2nn[nH]n2)cs1 ZINC000821437174 606460727 /nfs/dbraw/zinc/46/07/27/606460727.db2.gz KZQUSTYCVSZXDS-LLVKDONJSA-N -1 3 382.405 2.288 20 30 GEEDHM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822825476 606567796 /nfs/dbraw/zinc/56/77/96/606567796.db2.gz HDTPPJGGAGKFFC-UHFFFAOYSA-N -1 3 388.796 2.249 20 30 GEEDHM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822825476 606567797 /nfs/dbraw/zinc/56/77/97/606567797.db2.gz HDTPPJGGAGKFFC-UHFFFAOYSA-N -1 3 388.796 2.249 20 30 GEEDHM NC(=NOCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc(F)cc1 ZINC000822846001 606596211 /nfs/dbraw/zinc/59/62/11/606596211.db2.gz MXKSYDIZBDCYLO-UHFFFAOYSA-N -1 3 378.314 2.444 20 30 GEEDHM NC(=NOCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc(F)cc1 ZINC000822846001 606596213 /nfs/dbraw/zinc/59/62/13/606596213.db2.gz MXKSYDIZBDCYLO-UHFFFAOYSA-N -1 3 378.314 2.444 20 30 GEEDHM Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@H](C)CC#N)c1-c1nnn[n-]1 ZINC000822015998 606660738 /nfs/dbraw/zinc/66/07/38/606660738.db2.gz RVPXMLAMVPWOSH-GFCCVEGCSA-N -1 3 396.455 2.099 20 30 GEEDHM Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@H](C)CC#N)c1-c1nn[n-]n1 ZINC000822015998 606660739 /nfs/dbraw/zinc/66/07/39/606660739.db2.gz RVPXMLAMVPWOSH-GFCCVEGCSA-N -1 3 396.455 2.099 20 30 GEEDHM NC(=O)c1csc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822889952 606704741 /nfs/dbraw/zinc/70/47/41/606704741.db2.gz JJYWQEJOQRXANB-UHFFFAOYSA-N -1 3 381.343 2.492 20 30 GEEDHM NC(=O)c1csc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822889952 606704743 /nfs/dbraw/zinc/70/47/43/606704743.db2.gz JJYWQEJOQRXANB-UHFFFAOYSA-N -1 3 381.343 2.492 20 30 GEEDHM C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820502074 606757164 /nfs/dbraw/zinc/75/71/64/606757164.db2.gz NDBZIOLPEOILBV-SECBINFHSA-N -1 3 398.329 2.201 20 30 GEEDHM C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820502074 606757167 /nfs/dbraw/zinc/75/71/67/606757167.db2.gz NDBZIOLPEOILBV-SECBINFHSA-N -1 3 398.329 2.201 20 30 GEEDHM COC(=O)c1cc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)c(C)s1 ZINC000821668133 606769722 /nfs/dbraw/zinc/76/97/22/606769722.db2.gz QOCJUWMMICOKJT-UHFFFAOYSA-N -1 3 387.450 2.164 20 30 GEEDHM COC(=O)c1cc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)c(C)s1 ZINC000821668133 606769724 /nfs/dbraw/zinc/76/97/24/606769724.db2.gz QOCJUWMMICOKJT-UHFFFAOYSA-N -1 3 387.450 2.164 20 30 GEEDHM N#CCOc1cc(F)ccc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822810942 606772973 /nfs/dbraw/zinc/77/29/73/606772973.db2.gz PEVNJBQLSJVCPJ-UHFFFAOYSA-N -1 3 397.370 2.109 20 30 GEEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000820116043 606800709 /nfs/dbraw/zinc/80/07/09/606800709.db2.gz FAXIHGHZBIRBRR-UHFFFAOYSA-N -1 3 389.415 2.384 20 30 GEEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000820116043 606800711 /nfs/dbraw/zinc/80/07/11/606800711.db2.gz FAXIHGHZBIRBRR-UHFFFAOYSA-N -1 3 389.415 2.384 20 30 GEEDHM C#CCN(C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)C1CCCC1 ZINC000819697669 606830757 /nfs/dbraw/zinc/83/07/57/606830757.db2.gz JGDMZKJKESNORX-UHFFFAOYSA-N -1 3 383.452 2.439 20 30 GEEDHM C#CCN(C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)C1CCCC1 ZINC000819697669 606830759 /nfs/dbraw/zinc/83/07/59/606830759.db2.gz JGDMZKJKESNORX-UHFFFAOYSA-N -1 3 383.452 2.439 20 30 GEEDHM N#Cc1cccc(OCCCSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c1 ZINC000822837666 606838150 /nfs/dbraw/zinc/83/81/50/606838150.db2.gz QSHRERMPZYUEOC-UHFFFAOYSA-N -1 3 378.421 2.148 20 30 GEEDHM N#Cc1cccc(OCCCSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c1 ZINC000822837666 606838152 /nfs/dbraw/zinc/83/81/52/606838152.db2.gz QSHRERMPZYUEOC-UHFFFAOYSA-N -1 3 378.421 2.148 20 30 GEEDHM Cc1nc(SCC(=O)Nc2cc(CC#N)ccn2)c(-c2nnn[n-]2)c(C)c1C ZINC000822453235 606956150 /nfs/dbraw/zinc/95/61/50/606956150.db2.gz FQLAXIFFWISYEX-UHFFFAOYSA-N -1 3 394.464 2.379 20 30 GEEDHM Cc1nc(SCC(=O)Nc2cc(CC#N)ccn2)c(-c2nn[n-]n2)c(C)c1C ZINC000822453235 606956152 /nfs/dbraw/zinc/95/61/52/606956152.db2.gz FQLAXIFFWISYEX-UHFFFAOYSA-N -1 3 394.464 2.379 20 30 GEEDHM N#CCCCCS(=O)(=O)Oc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822807110 607051573 /nfs/dbraw/zinc/05/15/73/607051573.db2.gz YRNAFJRBBQMADJ-UHFFFAOYSA-N -1 3 386.231 2.032 20 30 GEEDHM N#CCCCCS(=O)(=O)Oc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822807110 607051575 /nfs/dbraw/zinc/05/15/75/607051575.db2.gz YRNAFJRBBQMADJ-UHFFFAOYSA-N -1 3 386.231 2.032 20 30 GEEDHM N#CCC(=O)Nc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822807000 607073981 /nfs/dbraw/zinc/07/39/81/607073981.db2.gz XTPYZMAIHKVVLM-UHFFFAOYSA-N -1 3 380.339 2.215 20 30 GEEDHM N#CCC(=O)Nc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822807000 607073982 /nfs/dbraw/zinc/07/39/82/607073982.db2.gz XTPYZMAIHKVVLM-UHFFFAOYSA-N -1 3 380.339 2.215 20 30 GEEDHM C=CCNC(=O)c1ccccc1NCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000823926059 607879297 /nfs/dbraw/zinc/87/92/97/607879297.db2.gz XMKGSIUXLGBEFJ-UHFFFAOYSA-N -1 3 392.419 2.181 20 30 GEEDHM C=CCNC(=O)c1ccccc1NCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000823926059 607879298 /nfs/dbraw/zinc/87/92/98/607879298.db2.gz XMKGSIUXLGBEFJ-UHFFFAOYSA-N -1 3 392.419 2.181 20 30 GEEDHM CC(C)C[C@H](C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824229587 607880210 /nfs/dbraw/zinc/88/02/10/607880210.db2.gz SMFMZMTZKFAABE-SECBINFHSA-N -1 3 388.375 2.102 20 30 GEEDHM CC(C)C[C@H](C#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824229587 607880211 /nfs/dbraw/zinc/88/02/11/607880211.db2.gz SMFMZMTZKFAABE-SECBINFHSA-N -1 3 388.375 2.102 20 30 GEEDHM O=c1c2c3c(sc2ncn1N=Cc1ccccc1-c1nnn[n-]1)CCCC3 ZINC000826501220 607882149 /nfs/dbraw/zinc/88/21/49/607882149.db2.gz FTAWSNUTFPRDDW-UHFFFAOYSA-N -1 3 377.433 2.399 20 30 GEEDHM O=c1c2c3c(sc2ncn1N=Cc1ccccc1-c1nn[n-]n1)CCCC3 ZINC000826501220 607882150 /nfs/dbraw/zinc/88/21/50/607882150.db2.gz FTAWSNUTFPRDDW-UHFFFAOYSA-N -1 3 377.433 2.399 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCC(=O)NC1CCCC1 ZINC000823909449 607888224 /nfs/dbraw/zinc/88/82/24/607888224.db2.gz DSBCXSGIKYEMCJ-UHFFFAOYSA-N -1 3 382.468 2.220 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCC(=O)NC1CCCC1 ZINC000823909449 607888225 /nfs/dbraw/zinc/88/82/25/607888225.db2.gz DSBCXSGIKYEMCJ-UHFFFAOYSA-N -1 3 382.468 2.220 20 30 GEEDHM CS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826223771 607917042 /nfs/dbraw/zinc/91/70/42/607917042.db2.gz ZIKPZAOALJBCPK-OQFOIZHKSA-N -1 3 387.396 2.273 20 30 GEEDHM CS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826223771 607917043 /nfs/dbraw/zinc/91/70/43/607917043.db2.gz ZIKPZAOALJBCPK-OQFOIZHKSA-N -1 3 387.396 2.273 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccc(CC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826118108 607978705 /nfs/dbraw/zinc/97/87/05/607978705.db2.gz XOCZLSKGMQIWMD-INIZCTEOSA-N -1 3 377.360 2.004 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccc(CC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826118108 607978706 /nfs/dbraw/zinc/97/87/06/607978706.db2.gz XOCZLSKGMQIWMD-INIZCTEOSA-N -1 3 377.360 2.004 20 30 GEEDHM N#CCc1ccc(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000826382675 607979130 /nfs/dbraw/zinc/97/91/30/607979130.db2.gz PREFMTNGUGMIFH-UHFFFAOYSA-N -1 3 387.359 2.340 20 30 GEEDHM N#CCc1ccc(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000826382675 607979131 /nfs/dbraw/zinc/97/91/31/607979131.db2.gz PREFMTNGUGMIFH-UHFFFAOYSA-N -1 3 387.359 2.340 20 30 GEEDHM COc1ccc(COC(=O)Cc2cccc(OCC#N)c2)cc1-c1nnn[n-]1 ZINC000826205906 608029695 /nfs/dbraw/zinc/02/96/95/608029695.db2.gz TUJCEBZBAYWFLW-UHFFFAOYSA-N -1 3 379.376 2.064 20 30 GEEDHM COc1ccc(COC(=O)Cc2cccc(OCC#N)c2)cc1-c1nn[n-]n1 ZINC000826205906 608029696 /nfs/dbraw/zinc/02/96/96/608029696.db2.gz TUJCEBZBAYWFLW-UHFFFAOYSA-N -1 3 379.376 2.064 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CCO2)c1 ZINC000826386935 608073369 /nfs/dbraw/zinc/07/33/69/608073369.db2.gz YTZCMDZGUMBGGA-QGZVFWFLSA-N -1 3 393.382 2.483 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CCO2)c1 ZINC000826386935 608073370 /nfs/dbraw/zinc/07/33/70/608073370.db2.gz YTZCMDZGUMBGGA-QGZVFWFLSA-N -1 3 393.382 2.483 20 30 GEEDHM N#Cc1cnc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(Cl)c1 ZINC000826387758 608085664 /nfs/dbraw/zinc/08/56/64/608085664.db2.gz PRKOBUIDRAUQCY-HNNXBMFYSA-N -1 3 395.810 2.000 20 30 GEEDHM N#Cc1cnc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(Cl)c1 ZINC000826387758 608085665 /nfs/dbraw/zinc/08/56/65/608085665.db2.gz PRKOBUIDRAUQCY-HNNXBMFYSA-N -1 3 395.810 2.000 20 30 GEEDHM N#Cc1cnc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(Cl)c1 ZINC000826387759 608085667 /nfs/dbraw/zinc/08/56/67/608085667.db2.gz PRKOBUIDRAUQCY-OAHLLOKOSA-N -1 3 395.810 2.000 20 30 GEEDHM N#Cc1cnc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(Cl)c1 ZINC000826387759 608085668 /nfs/dbraw/zinc/08/56/68/608085668.db2.gz PRKOBUIDRAUQCY-OAHLLOKOSA-N -1 3 395.810 2.000 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000826386785 608089536 /nfs/dbraw/zinc/08/95/36/608089536.db2.gz SRFZHLFQPMUARL-CSHXORCISA-N -1 3 386.415 2.352 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC000826386785 608089537 /nfs/dbraw/zinc/08/95/37/608089537.db2.gz SRFZHLFQPMUARL-CSHXORCISA-N -1 3 386.415 2.352 20 30 GEEDHM N#CCCCNC(=O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826381596 608143214 /nfs/dbraw/zinc/14/32/14/608143214.db2.gz RHEZYMMSILQFBN-UHFFFAOYSA-N -1 3 391.391 2.017 20 30 GEEDHM N#CCCCNC(=O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826381596 608143215 /nfs/dbraw/zinc/14/32/15/608143215.db2.gz RHEZYMMSILQFBN-UHFFFAOYSA-N -1 3 391.391 2.017 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1CON=C(N)c1ccc(Br)o1 ZINC000826184626 608153331 /nfs/dbraw/zinc/15/33/31/608153331.db2.gz DYEQDTNEQDSKIO-UHFFFAOYSA-N -1 3 393.201 2.068 20 30 GEEDHM N#Cc1ccc(C2=CCN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826384788 608447142 /nfs/dbraw/zinc/44/71/42/608447142.db2.gz JYOPSWJNUAOMQO-UHFFFAOYSA-N -1 3 392.444 2.216 20 30 GEEDHM N#Cc1ccc(C2=CCN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826384788 608447144 /nfs/dbraw/zinc/44/71/44/608447144.db2.gz JYOPSWJNUAOMQO-UHFFFAOYSA-N -1 3 392.444 2.216 20 30 GEEDHM N#Cc1ccccc1S(=O)(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826387330 608447260 /nfs/dbraw/zinc/44/72/60/608447260.db2.gz PXUQPNCNZSHPDF-UHFFFAOYSA-N -1 3 392.444 2.216 20 30 GEEDHM N#Cc1ccccc1S(=O)(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826387330 608447261 /nfs/dbraw/zinc/44/72/61/608447261.db2.gz PXUQPNCNZSHPDF-UHFFFAOYSA-N -1 3 392.444 2.216 20 30 GEEDHM C=CCOc1cccnc1C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823931667 608457132 /nfs/dbraw/zinc/45/71/32/608457132.db2.gz CSMIKDJFQZWSCQ-UHFFFAOYSA-N -1 3 381.392 2.452 20 30 GEEDHM CCOC(=O)c1c(C)[nH]c(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1C ZINC000825553238 608536034 /nfs/dbraw/zinc/53/60/34/608536034.db2.gz ONESKDGSIDRQRF-UHFFFAOYSA-N -1 3 388.819 2.483 20 30 GEEDHM CCOC(=O)c1c(C)[nH]c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1C ZINC000825553238 608536036 /nfs/dbraw/zinc/53/60/36/608536036.db2.gz ONESKDGSIDRQRF-UHFFFAOYSA-N -1 3 388.819 2.483 20 30 GEEDHM COc1nc2sccn2c1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826221666 608537449 /nfs/dbraw/zinc/53/74/49/608537449.db2.gz PEKMLNYALIQPND-UHFFFAOYSA-N -1 3 375.805 2.079 20 30 GEEDHM COc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1OC(C)=O ZINC000826179099 608537460 /nfs/dbraw/zinc/53/74/60/608537460.db2.gz ZFISJBBTZHQTFY-UHFFFAOYSA-N -1 3 387.787 2.295 20 30 GEEDHM COc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1OC(C)=O ZINC000826179099 608537461 /nfs/dbraw/zinc/53/74/61/608537461.db2.gz ZFISJBBTZHQTFY-UHFFFAOYSA-N -1 3 387.787 2.295 20 30 GEEDHM N#C[C@@H]1CSCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826380729 608548040 /nfs/dbraw/zinc/54/80/40/608548040.db2.gz KUMITWLSNZSSIN-GFCCVEGCSA-N -1 3 396.432 2.120 20 30 GEEDHM N#C[C@@H]1CSCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826380729 608548041 /nfs/dbraw/zinc/54/80/41/608548041.db2.gz KUMITWLSNZSSIN-GFCCVEGCSA-N -1 3 396.432 2.120 20 30 GEEDHM N#Cc1ccc(OC2CCC(NC(=O)c3sccc3-c3nnn[n-]3)CC2)nc1 ZINC000826385907 608558803 /nfs/dbraw/zinc/55/88/03/608558803.db2.gz GVVAABRUPBCJTF-UHFFFAOYSA-N -1 3 395.448 2.315 20 30 GEEDHM N#Cc1ccc(OC2CCC(NC(=O)c3sccc3-c3nn[n-]n3)CC2)nc1 ZINC000826385907 608558804 /nfs/dbraw/zinc/55/88/04/608558804.db2.gz GVVAABRUPBCJTF-UHFFFAOYSA-N -1 3 395.448 2.315 20 30 GEEDHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824754096 608571416 /nfs/dbraw/zinc/57/14/16/608571416.db2.gz HUPDWWSUIQVUKN-LBPRGKRZSA-N -1 3 389.419 2.418 20 30 GEEDHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824754096 608571418 /nfs/dbraw/zinc/57/14/18/608571418.db2.gz HUPDWWSUIQVUKN-LBPRGKRZSA-N -1 3 389.419 2.418 20 30 GEEDHM C=CCCC[C@H](C)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823894355 608589879 /nfs/dbraw/zinc/58/98/79/608589879.db2.gz OAKGQTGDGZYZCI-AWEZNQCLSA-N -1 3 384.488 2.275 20 30 GEEDHM C=CCCC[C@H](C)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823894355 608589881 /nfs/dbraw/zinc/58/98/81/608589881.db2.gz OAKGQTGDGZYZCI-AWEZNQCLSA-N -1 3 384.488 2.275 20 30 GEEDHM CC1CC(C#N)(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000824866605 608604755 /nfs/dbraw/zinc/60/47/55/608604755.db2.gz MYPDGYLJIFGTBX-UHFFFAOYSA-N -1 3 381.440 2.008 20 30 GEEDHM CC1CC(C#N)(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000824866605 608604756 /nfs/dbraw/zinc/60/47/56/608604756.db2.gz MYPDGYLJIFGTBX-UHFFFAOYSA-N -1 3 381.440 2.008 20 30 GEEDHM N#Cc1ccc(OC2CCC(NC(=O)c3cc(-c4nnn[n-]4)cs3)CC2)nc1 ZINC000826385957 608605777 /nfs/dbraw/zinc/60/57/77/608605777.db2.gz JDNVXMHFTLGGEH-UHFFFAOYSA-N -1 3 395.448 2.315 20 30 GEEDHM N#Cc1ccc(OC2CCC(NC(=O)c3cc(-c4nn[n-]n4)cs3)CC2)nc1 ZINC000826385957 608605781 /nfs/dbraw/zinc/60/57/81/608605781.db2.gz JDNVXMHFTLGGEH-UHFFFAOYSA-N -1 3 395.448 2.315 20 30 GEEDHM O=C(C#Cc1ccccc1)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826397106 608642667 /nfs/dbraw/zinc/64/26/67/608642667.db2.gz URYZXBOCHINEOG-UHFFFAOYSA-N -1 3 388.431 2.120 20 30 GEEDHM O=C(C#Cc1ccccc1)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826397106 608642668 /nfs/dbraw/zinc/64/26/68/608642668.db2.gz URYZXBOCHINEOG-UHFFFAOYSA-N -1 3 388.431 2.120 20 30 GEEDHM C#CCOc1ccccc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823861941 608851607 /nfs/dbraw/zinc/85/16/07/608851607.db2.gz UOOZKRQPSSCJII-HXUWFJFHSA-N -1 3 375.432 2.452 20 30 GEEDHM C#CCOc1ccccc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823861941 608851611 /nfs/dbraw/zinc/85/16/11/608851611.db2.gz UOOZKRQPSSCJII-HXUWFJFHSA-N -1 3 375.432 2.452 20 30 GEEDHM N#Cc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)n2)ccc1-c1nnn[n-]1 ZINC000826384229 609188830 /nfs/dbraw/zinc/18/88/30/609188830.db2.gz MEJMBELBGRKKIK-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM N#Cc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)n2)ccc1-c1nn[n-]n1 ZINC000826384229 609188831 /nfs/dbraw/zinc/18/88/31/609188831.db2.gz MEJMBELBGRKKIK-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824323735 609210273 /nfs/dbraw/zinc/21/02/73/609210273.db2.gz AEUGHQYTUQTSOK-KRWDZBQOSA-N -1 3 378.392 2.198 20 30 GEEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824323735 609210274 /nfs/dbraw/zinc/21/02/74/609210274.db2.gz AEUGHQYTUQTSOK-KRWDZBQOSA-N -1 3 378.392 2.198 20 30 GEEDHM Cc1cc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)nn1CCC#N ZINC000826269925 609273766 /nfs/dbraw/zinc/27/37/66/609273766.db2.gz CJLUJVKEMXDUMK-UHFFFAOYSA-N -1 3 377.412 2.096 20 30 GEEDHM Cc1cc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)nn1CCC#N ZINC000826269925 609273768 /nfs/dbraw/zinc/27/37/68/609273768.db2.gz CJLUJVKEMXDUMK-UHFFFAOYSA-N -1 3 377.412 2.096 20 30 GEEDHM CCOC(=O)c1cnc(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)nc1C ZINC000825565904 609305700 /nfs/dbraw/zinc/30/57/00/609305700.db2.gz ZZUGBJLFNWQQCX-UHFFFAOYSA-N -1 3 392.423 2.294 20 30 GEEDHM CCOC(=O)c1cnc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)nc1C ZINC000825565904 609305702 /nfs/dbraw/zinc/30/57/02/609305702.db2.gz ZZUGBJLFNWQQCX-UHFFFAOYSA-N -1 3 392.423 2.294 20 30 GEEDHM CCOC(=O)c1cnc(N=NC(C)c2ccc(-c3nnn[n-]3)c(F)c2)nc1C ZINC000825564726 609305742 /nfs/dbraw/zinc/30/57/42/609305742.db2.gz DMDMTBBKULOKNP-UHFFFAOYSA-N -1 3 384.375 2.117 20 30 GEEDHM CCOC(=O)c1cnc(N=NC(C)c2ccc(-c3nn[n-]n3)c(F)c2)nc1C ZINC000825564726 609305744 /nfs/dbraw/zinc/30/57/44/609305744.db2.gz DMDMTBBKULOKNP-UHFFFAOYSA-N -1 3 384.375 2.117 20 30 GEEDHM Cn1cc(C=NNc2ccncc2Cl)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360655 609306921 /nfs/dbraw/zinc/30/69/21/609306921.db2.gz SNARXUUPHZARHB-UHFFFAOYSA-N -1 3 379.815 2.184 20 30 GEEDHM Cn1cc(C=NNc2ccncc2Cl)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360655 609306922 /nfs/dbraw/zinc/30/69/22/609306922.db2.gz SNARXUUPHZARHB-UHFFFAOYSA-N -1 3 379.815 2.184 20 30 GEEDHM CC(=O)N1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c2ccccc2C1 ZINC000823974507 609412350 /nfs/dbraw/zinc/41/23/50/609412350.db2.gz PPXGPEKLZLZGHQ-UHFFFAOYSA-N -1 3 396.842 2.484 20 30 GEEDHM CC(=O)N1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c2ccccc2C1 ZINC000823974507 609412351 /nfs/dbraw/zinc/41/23/51/609412351.db2.gz PPXGPEKLZLZGHQ-UHFFFAOYSA-N -1 3 396.842 2.484 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H](Sc3cc(-c4nnn[n-]4)ccn3)C2=O)cc1 ZINC000826385566 609419023 /nfs/dbraw/zinc/41/90/23/609419023.db2.gz RKVOFDUNJIFDSS-OAHLLOKOSA-N -1 3 377.433 2.421 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H](Sc3cc(-c4nn[n-]n4)ccn3)C2=O)cc1 ZINC000826385566 609419025 /nfs/dbraw/zinc/41/90/25/609419025.db2.gz RKVOFDUNJIFDSS-OAHLLOKOSA-N -1 3 377.433 2.421 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000826174431 609427711 /nfs/dbraw/zinc/42/77/11/609427711.db2.gz WOHDTIIEHRHZFC-KRWDZBQOSA-N -1 3 390.403 2.321 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000826174431 609427713 /nfs/dbraw/zinc/42/77/13/609427713.db2.gz WOHDTIIEHRHZFC-KRWDZBQOSA-N -1 3 390.403 2.321 20 30 GEEDHM N#Cc1cccc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826386482 609459692 /nfs/dbraw/zinc/45/96/92/609459692.db2.gz GYHLIFMGUHWBED-QGZVFWFLSA-N -1 3 388.387 2.091 20 30 GEEDHM N#Cc1cccc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826386482 609459694 /nfs/dbraw/zinc/45/96/94/609459694.db2.gz GYHLIFMGUHWBED-QGZVFWFLSA-N -1 3 388.387 2.091 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826386041 609513825 /nfs/dbraw/zinc/51/38/25/609513825.db2.gz MLXFDIDTTJCSIO-UHFFFAOYSA-N -1 3 375.797 2.301 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826386041 609513828 /nfs/dbraw/zinc/51/38/28/609513828.db2.gz MLXFDIDTTJCSIO-UHFFFAOYSA-N -1 3 375.797 2.301 20 30 GEEDHM Cc1cc(C(=O)N(CC#N)C2CCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257568 609584844 /nfs/dbraw/zinc/58/48/44/609584844.db2.gz HLVUDGMVWNIGGE-UHFFFAOYSA-N -1 3 376.424 2.269 20 30 GEEDHM Cc1cc(C(=O)N(CC#N)C2CCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257568 609584847 /nfs/dbraw/zinc/58/48/47/609584847.db2.gz HLVUDGMVWNIGGE-UHFFFAOYSA-N -1 3 376.424 2.269 20 30 GEEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000824098812 609590197 /nfs/dbraw/zinc/59/01/97/609590197.db2.gz ABWMMYOGFOQESX-GOSISDBHSA-N -1 3 389.387 2.311 20 30 GEEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000824098812 609590199 /nfs/dbraw/zinc/59/01/99/609590199.db2.gz ABWMMYOGFOQESX-GOSISDBHSA-N -1 3 389.387 2.311 20 30 GEEDHM C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823894083 609619810 /nfs/dbraw/zinc/61/98/10/609619810.db2.gz HBHGBORSCWFHBB-WMLDXEAASA-N -1 3 397.483 2.406 20 30 GEEDHM C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823894083 609619811 /nfs/dbraw/zinc/61/98/11/609619811.db2.gz HBHGBORSCWFHBB-WMLDXEAASA-N -1 3 397.483 2.406 20 30 GEEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824099344 609624733 /nfs/dbraw/zinc/62/47/33/609624733.db2.gz FLUNTFZPFFHKQD-SFHVURJKSA-N -1 3 389.387 2.311 20 30 GEEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824099344 609624734 /nfs/dbraw/zinc/62/47/34/609624734.db2.gz FLUNTFZPFFHKQD-SFHVURJKSA-N -1 3 389.387 2.311 20 30 GEEDHM Cc1nc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)sc1SCC#N ZINC000502982930 650413358 /nfs/dbraw/zinc/41/33/58/650413358.db2.gz TVEBCLBGJFSTHF-UHFFFAOYSA-N -1 3 383.480 2.086 20 30 GEEDHM N#C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000505125710 650435019 /nfs/dbraw/zinc/43/50/19/650435019.db2.gz VNPFTTBFGIOCOE-NSHDSACASA-N -1 3 387.845 2.200 20 30 GEEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000485735731 650699914 /nfs/dbraw/zinc/69/99/14/650699914.db2.gz SKPGZTDJVAJPLW-LLVKDONJSA-N -1 3 376.463 2.384 20 30 GEEDHM N#Cc1ccsc1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000127182655 643761862 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20 30 GEEDHM Cc1cc(Br)c(S(=O)(=O)[N-]C2CCN(CC#N)CC2)s1 ZINC000610263127 651652418 /nfs/dbraw/zinc/65/24/18/651652418.db2.gz DVLASGCZLOWISH-UHFFFAOYSA-N -1 3 378.317 2.085 20 30 GEEDHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)s1 ZINC000610510864 651666652 /nfs/dbraw/zinc/66/66/52/651666652.db2.gz DSPZLDKPBBBLFS-JTQLQIEISA-N -1 3 380.447 2.454 20 30 GEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1nc2ccsc2s1 ZINC000735460932 651783330 /nfs/dbraw/zinc/78/33/30/651783330.db2.gz GQRFGFCYHOPUET-UHFFFAOYSA-N -1 3 378.460 2.035 20 30 GEEDHM Cc1nc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)sc1C ZINC000742548810 651992056 /nfs/dbraw/zinc/99/20/56/651992056.db2.gz OVXTYWLEPTYQAR-SECBINFHSA-N -1 3 378.479 2.216 20 30 GEEDHM C=C[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000577567156 652197454 /nfs/dbraw/zinc/19/74/54/652197454.db2.gz RWAHRBCQPCKNAE-SNVBAGLBSA-N -1 3 393.328 2.356 20 30 GEEDHM COCC#CCOC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000762785690 652718716 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GEEDHM C[C@@](C#N)(NC(=O)COC(=O)c1cc(Br)c(F)cc1[O-])C1CC1 ZINC000837779785 653469069 /nfs/dbraw/zinc/46/90/69/653469069.db2.gz GQHUTRLHIYWNKC-HNNXBMFYSA-N -1 3 385.189 2.259 20 30 GEEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)nc1 ZINC000780888313 653634919 /nfs/dbraw/zinc/63/49/19/653634919.db2.gz SDTALTUGZFWCMV-UHFFFAOYSA-N -1 3 397.210 2.102 20 30 GEEDHM Cc1c(NC(=O)N[C@@H]2CCCN([O-])C2=O)cnc(Cl)c1Br ZINC000879193468 653662519 /nfs/dbraw/zinc/66/25/19/653662519.db2.gz VCFMTZNVKFNCLV-SSDOTTSWSA-N -1 3 377.626 2.308 20 30 GEEDHM O=C(Nc1cc2ccccc2nc1Br)N[C@@H]1CCCN([O-])C1=O ZINC000879375270 653667521 /nfs/dbraw/zinc/66/75/21/653667521.db2.gz QOZFTBWOPOUJNH-LLVKDONJSA-N -1 3 379.214 2.499 20 30 GEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2nnc(C)s2)ccc1F ZINC000782698477 653668106 /nfs/dbraw/zinc/66/81/06/653668106.db2.gz XXALWZGMRYVCFD-SECBINFHSA-N -1 3 385.442 2.368 20 30 GEEDHM C#CC[C@@H](CO)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000816674136 653690172 /nfs/dbraw/zinc/69/01/72/653690172.db2.gz ROUZJWCUTYQVBW-VIFPVBQESA-N -1 3 383.629 2.058 20 30 GEEDHM N#Cc1sc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)nc1Cl ZINC000841224734 653710935 /nfs/dbraw/zinc/71/09/35/653710935.db2.gz DLBGYQQSCHNEJZ-UHFFFAOYSA-N -1 3 386.842 2.298 20 30 GEEDHM CN(CCc1cccc(C#N)c1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000863434810 653712793 /nfs/dbraw/zinc/71/27/93/653712793.db2.gz VXSIYEJGOXITRL-UHFFFAOYSA-N -1 3 397.909 2.253 20 30 GEEDHM CN(CC(N)=O)C(=O)c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000790576399 653793555 /nfs/dbraw/zinc/79/35/55/653793555.db2.gz YXQMLNLPQJBNRM-UHFFFAOYSA-N -1 3 390.237 2.463 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)C(F)(F)F)cc1Cl ZINC000882780372 653806738 /nfs/dbraw/zinc/80/67/38/653806738.db2.gz CESTXPLTKXPHJZ-VIFPVBQESA-N -1 3 378.706 2.048 20 30 GEEDHM O=C1[C@H](NCc2c(F)ccc(I)c2F)CCCN1[O-] ZINC000895160012 653821245 /nfs/dbraw/zinc/82/12/45/653821245.db2.gz JSJOTJSAGOPIRP-SNVBAGLBSA-N -1 3 382.148 2.039 20 30 GEEDHM C[S@@](=O)(=NS(=O)(=O)[N-]CCCC#N)c1cccc(Br)c1 ZINC000867089186 653876820 /nfs/dbraw/zinc/87/68/20/653876820.db2.gz FUOQOAMBFGKPQM-IBGZPJMESA-N -1 3 380.289 2.044 20 30 GEEDHM Cn1ncc(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)c1Br ZINC000867202323 653893612 /nfs/dbraw/zinc/89/36/12/653893612.db2.gz KTRAQMUKVMPDCA-LBPRGKRZSA-N -1 3 381.255 2.020 20 30 GEEDHM Cn1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)c(Br)n1 ZINC000867503559 653941704 /nfs/dbraw/zinc/94/17/04/653941704.db2.gz ZSEGQKIZVIMNAL-UHFFFAOYSA-N -1 3 383.271 2.268 20 30 GEEDHM C#CCC1([N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CCOCC1 ZINC000885840628 653959430 /nfs/dbraw/zinc/95/94/30/653959430.db2.gz JZUJIICMRGPQFD-UHFFFAOYSA-N -1 3 391.898 2.347 20 30 GEEDHM O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N[C@H]1CCCN([O-])C1=O ZINC000848134662 653960487 /nfs/dbraw/zinc/96/04/87/653960487.db2.gz XKRBQSKQYJUXHH-AWEZNQCLSA-N -1 3 379.869 2.426 20 30 GEEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000795618914 653961039 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N#CCc1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000799819074 654115316 /nfs/dbraw/zinc/11/53/16/654115316.db2.gz SMGJTKPMQQNHQX-UHFFFAOYSA-N -1 3 375.797 2.354 20 30 GEEDHM N#CCc1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000799819074 654115317 /nfs/dbraw/zinc/11/53/17/654115317.db2.gz SMGJTKPMQQNHQX-UHFFFAOYSA-N -1 3 375.797 2.354 20 30 GEEDHM CSCC(C)(C)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000851171721 654136047 /nfs/dbraw/zinc/13/60/47/654136047.db2.gz DUIPDVDVJIDXCI-LBPRGKRZSA-N -1 3 384.523 2.436 20 30 GEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CC2(Cl)Cl)ccc1F ZINC000918049871 654141133 /nfs/dbraw/zinc/14/11/33/654141133.db2.gz HFBYUWXGWBOVRC-SNVBAGLBSA-N -1 3 381.256 2.214 20 30 GEEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000832241941 654252193 /nfs/dbraw/zinc/25/21/93/654252193.db2.gz KXSKXUMHXZNCOS-NEPJUHHUSA-N -1 3 380.249 2.402 20 30 GEEDHM C#CCN1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000921437987 654267701 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N#Cc1cc(NC(=O)CSc2ccc3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC000737709908 598914560 /nfs/dbraw/zinc/91/45/60/598914560.db2.gz RWNMUXWWNTVOFB-UHFFFAOYSA-N -1 3 394.416 2.240 20 30 GEEDHM C=CCc1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000735442971 598916439 /nfs/dbraw/zinc/91/64/39/598916439.db2.gz LLGKXRKFGTVTQQ-UHFFFAOYSA-N -1 3 390.403 2.493 20 30 GEEDHM C=CCc1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000735442971 598916440 /nfs/dbraw/zinc/91/64/40/598916440.db2.gz LLGKXRKFGTVTQQ-UHFFFAOYSA-N -1 3 390.403 2.493 20 30 GEEDHM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1C ZINC000736604341 598916088 /nfs/dbraw/zinc/91/60/88/598916088.db2.gz WRRAMCASSDDYMI-UHFFFAOYSA-N -1 3 379.380 2.112 20 30 GEEDHM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1C ZINC000736604341 598916090 /nfs/dbraw/zinc/91/60/90/598916090.db2.gz WRRAMCASSDDYMI-UHFFFAOYSA-N -1 3 379.380 2.112 20 30 GEEDHM N#C[C@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCN1Cc1ccccc1 ZINC000737680249 598920578 /nfs/dbraw/zinc/92/05/78/598920578.db2.gz ZGQSGZNMXHLFHA-SFHVURJKSA-N -1 3 388.435 2.109 20 30 GEEDHM N#C[C@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCN1Cc1ccccc1 ZINC000737680249 598920580 /nfs/dbraw/zinc/92/05/80/598920580.db2.gz ZGQSGZNMXHLFHA-SFHVURJKSA-N -1 3 388.435 2.109 20 30 GEEDHM COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737073465 598920939 /nfs/dbraw/zinc/92/09/39/598920939.db2.gz RHCAUXRKJJOXRM-UHFFFAOYSA-N -1 3 376.376 2.131 20 30 GEEDHM COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737073465 598920941 /nfs/dbraw/zinc/92/09/41/598920941.db2.gz RHCAUXRKJJOXRM-UHFFFAOYSA-N -1 3 376.376 2.131 20 30 GEEDHM C=C(COC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C(=O)OCC ZINC000735402062 598921191 /nfs/dbraw/zinc/92/11/91/598921191.db2.gz GXAKQDLLJZXMPS-UHFFFAOYSA-N -1 3 398.375 2.315 20 30 GEEDHM C=C(COC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C(=O)OCC ZINC000735402062 598921193 /nfs/dbraw/zinc/92/11/93/598921193.db2.gz GXAKQDLLJZXMPS-UHFFFAOYSA-N -1 3 398.375 2.315 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000735626988 598924561 /nfs/dbraw/zinc/92/45/61/598924561.db2.gz LODWHNXDDHPWJT-GFCCVEGCSA-N -1 3 397.439 2.324 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000735626988 598924562 /nfs/dbraw/zinc/92/45/62/598924562.db2.gz LODWHNXDDHPWJT-GFCCVEGCSA-N -1 3 397.439 2.324 20 30 GEEDHM COc1cccc(CO[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737132833 598925064 /nfs/dbraw/zinc/92/50/64/598925064.db2.gz RTTNKORIHFNYIC-LBPRGKRZSA-N -1 3 378.392 2.291 20 30 GEEDHM COc1cccc(CO[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737132833 598925066 /nfs/dbraw/zinc/92/50/66/598925066.db2.gz RTTNKORIHFNYIC-LBPRGKRZSA-N -1 3 378.392 2.291 20 30 GEEDHM C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736103040 598927918 /nfs/dbraw/zinc/92/79/18/598927918.db2.gz VSTLZHQOLZKBMJ-GFCCVEGCSA-N -1 3 381.440 2.152 20 30 GEEDHM C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736103040 598927920 /nfs/dbraw/zinc/92/79/20/598927920.db2.gz VSTLZHQOLZKBMJ-GFCCVEGCSA-N -1 3 381.440 2.152 20 30 GEEDHM C#CCCn1c(-c2cnn(C)c2)csc1=Nc1ccccc1-c1nnn[n-]1 ZINC000735375140 599029943 /nfs/dbraw/zinc/02/99/43/599029943.db2.gz URXCUIWVFOYFIN-UHFFFAOYSA-N -1 3 376.449 2.386 20 30 GEEDHM C#CCCn1c(-c2cnn(C)c2)csc1=Nc1ccccc1-c1nn[n-]n1 ZINC000735375140 599029945 /nfs/dbraw/zinc/02/99/45/599029945.db2.gz URXCUIWVFOYFIN-UHFFFAOYSA-N -1 3 376.449 2.386 20 30 GEEDHM N#Cc1cccnc1NCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737727473 599050603 /nfs/dbraw/zinc/05/06/03/599050603.db2.gz ODHRGHPAYPBVOH-UHFFFAOYSA-N -1 3 375.318 2.071 20 30 GEEDHM N#Cc1cccnc1NCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737727473 599050606 /nfs/dbraw/zinc/05/06/06/599050606.db2.gz ODHRGHPAYPBVOH-UHFFFAOYSA-N -1 3 375.318 2.071 20 30 GEEDHM COCCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988397 599113598 /nfs/dbraw/zinc/11/35/98/599113598.db2.gz LKBSTAZOIHRLSF-AWEZNQCLSA-N -1 3 392.419 2.185 20 30 GEEDHM COCCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988397 599113601 /nfs/dbraw/zinc/11/36/01/599113601.db2.gz LKBSTAZOIHRLSF-AWEZNQCLSA-N -1 3 392.419 2.185 20 30 GEEDHM C=CCc1ccc(OCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(OC)c1 ZINC000819759423 599171252 /nfs/dbraw/zinc/17/12/52/599171252.db2.gz XHTJGGZMAMCVGS-UHFFFAOYSA-N -1 3 397.410 2.438 20 30 GEEDHM C=CCc1ccc(OCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(OC)c1 ZINC000819759423 599171254 /nfs/dbraw/zinc/17/12/54/599171254.db2.gz XHTJGGZMAMCVGS-UHFFFAOYSA-N -1 3 397.410 2.438 20 30 GEEDHM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735593324 599195049 /nfs/dbraw/zinc/19/50/49/599195049.db2.gz ITWYXEBAIMZGEY-CQSZACIVSA-N -1 3 399.480 2.015 20 30 GEEDHM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735593324 599195051 /nfs/dbraw/zinc/19/50/51/599195051.db2.gz ITWYXEBAIMZGEY-CQSZACIVSA-N -1 3 399.480 2.015 20 30 GEEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)ccc1-c1nnn[n-]1 ZINC000737704602 599194593 /nfs/dbraw/zinc/19/45/93/599194593.db2.gz KIONQAKZLGFDFK-CVEARBPZSA-N -1 3 388.387 2.252 20 30 GEEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC000737704602 599194596 /nfs/dbraw/zinc/19/45/96/599194596.db2.gz KIONQAKZLGFDFK-CVEARBPZSA-N -1 3 388.387 2.252 20 30 GEEDHM N#Cc1nc(N)n(CC/C=C/c2ccc(Br)cc2)c1-c1nnn[n-]1 ZINC000737728294 599220987 /nfs/dbraw/zinc/22/09/87/599220987.db2.gz LEORADRUGKSFNN-HNQUOIGGSA-N -1 3 385.229 2.383 20 30 GEEDHM N#Cc1nc(N)n(CC/C=C/c2ccc(Br)cc2)c1-c1nn[n-]n1 ZINC000737728294 599220990 /nfs/dbraw/zinc/22/09/90/599220990.db2.gz LEORADRUGKSFNN-HNQUOIGGSA-N -1 3 385.229 2.383 20 30 GEEDHM C=CCNc1ncc(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000819751470 607263388 /nfs/dbraw/zinc/26/33/88/607263388.db2.gz VPRPZNQFHHSNPS-JTQLQIEISA-N -1 3 399.436 2.105 20 30 GEEDHM C=CCNc1ncc(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000819751470 607263389 /nfs/dbraw/zinc/26/33/89/607263389.db2.gz VPRPZNQFHHSNPS-JTQLQIEISA-N -1 3 399.436 2.105 20 30 GEEDHM O=C([O-])C[C@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000819375020 597089426 /nfs/dbraw/zinc/08/94/26/597089426.db2.gz KVSDKWAPMBAPCX-OAHLLOKOSA-N -1 3 382.382 2.360 20 30 GEEDHM C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000819821438 597648198 /nfs/dbraw/zinc/64/81/98/597648198.db2.gz GOMLVXKWVYIIOZ-IBGZPJMESA-N -1 3 393.871 2.304 20 30 GEEDHM N#Cc1cccc(OC2CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737729964 598238700 /nfs/dbraw/zinc/23/87/00/598238700.db2.gz BBACDTJDVCCOMI-UHFFFAOYSA-N -1 3 388.431 2.351 20 30 GEEDHM N#Cc1cccc(OC2CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737729964 598238701 /nfs/dbraw/zinc/23/87/01/598238701.db2.gz BBACDTJDVCCOMI-UHFFFAOYSA-N -1 3 388.431 2.351 20 30 GEEDHM CCC(CC)CN(CCC#N)C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000736338544 598239429 /nfs/dbraw/zinc/23/94/29/598239429.db2.gz WXIDOHOEEPGKBJ-UHFFFAOYSA-N -1 3 386.456 2.433 20 30 GEEDHM CCC(CC)CN(CCC#N)C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000736338544 598239431 /nfs/dbraw/zinc/23/94/31/598239431.db2.gz WXIDOHOEEPGKBJ-UHFFFAOYSA-N -1 3 386.456 2.433 20 30 GEEDHM N#Cc1cc2c(nc1N1CCN(c3ccc(-c4nn[n-]n4)cc3F)CC1)CCC2 ZINC000737708928 598245759 /nfs/dbraw/zinc/24/57/59/598245759.db2.gz HTQQUCJKMISANV-UHFFFAOYSA-N -1 3 390.426 2.088 20 30 GEEDHM Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)c1 ZINC000737322261 598273199 /nfs/dbraw/zinc/27/31/99/598273199.db2.gz KUMPACYEWVCFAC-LLVKDONJSA-N -1 3 394.464 2.452 20 30 GEEDHM Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)c1 ZINC000737322261 598273200 /nfs/dbraw/zinc/27/32/00/598273200.db2.gz KUMPACYEWVCFAC-LLVKDONJSA-N -1 3 394.464 2.452 20 30 GEEDHM N#Cc1cc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000737710036 598311969 /nfs/dbraw/zinc/31/19/69/598311969.db2.gz QJIWOYMOVUTRFM-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1cc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000737710036 598311971 /nfs/dbraw/zinc/31/19/71/598311971.db2.gz QJIWOYMOVUTRFM-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1nccn1C(F)F ZINC000735420912 598361928 /nfs/dbraw/zinc/36/19/28/598361928.db2.gz VRHDEIXNFFVSAA-UHFFFAOYSA-N -1 3 388.382 2.356 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1nccn1C(F)F ZINC000735420912 598361930 /nfs/dbraw/zinc/36/19/30/598361930.db2.gz VRHDEIXNFFVSAA-UHFFFAOYSA-N -1 3 388.382 2.356 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cn2c(n1)CCCC2 ZINC000735419954 598412137 /nfs/dbraw/zinc/41/21/37/598412137.db2.gz KVHOBWJYYPJCGD-UHFFFAOYSA-N -1 3 392.467 2.297 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cn2c(n1)CCCC2 ZINC000735419954 598412138 /nfs/dbraw/zinc/41/21/38/598412138.db2.gz KVHOBWJYYPJCGD-UHFFFAOYSA-N -1 3 392.467 2.297 20 30 GEEDHM N#Cc1ccc(N2CCC(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)nc1 ZINC000737720112 598459226 /nfs/dbraw/zinc/45/92/26/598459226.db2.gz ZXVURKCICOCPEG-UHFFFAOYSA-N -1 3 391.395 2.122 20 30 GEEDHM N#Cc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)nc1 ZINC000737720112 598459227 /nfs/dbraw/zinc/45/92/27/598459227.db2.gz ZXVURKCICOCPEG-UHFFFAOYSA-N -1 3 391.395 2.122 20 30 GEEDHM C=C(C)COc1cccc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000735402372 598476012 /nfs/dbraw/zinc/47/60/12/598476012.db2.gz SVKIVXFBBZRXIN-UHFFFAOYSA-N -1 3 394.439 2.450 20 30 GEEDHM C=C(C)COc1cccc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000735402372 598476014 /nfs/dbraw/zinc/47/60/14/598476014.db2.gz SVKIVXFBBZRXIN-UHFFFAOYSA-N -1 3 394.439 2.450 20 30 GEEDHM C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118251 598528561 /nfs/dbraw/zinc/52/85/61/598528561.db2.gz LXWBZCKQFNHWAT-CYBMUJFWSA-N -1 3 377.408 2.329 20 30 GEEDHM C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118251 598528563 /nfs/dbraw/zinc/52/85/63/598528563.db2.gz LXWBZCKQFNHWAT-CYBMUJFWSA-N -1 3 377.408 2.329 20 30 GEEDHM C#CCNC(=O)[C@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735381912 598553968 /nfs/dbraw/zinc/55/39/68/598553968.db2.gz SCDLTQKBPOVGKD-HNNXBMFYSA-N -1 3 390.447 2.304 20 30 GEEDHM C#CCNC(=O)[C@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000735381912 598553969 /nfs/dbraw/zinc/55/39/69/598553969.db2.gz SCDLTQKBPOVGKD-HNNXBMFYSA-N -1 3 390.447 2.304 20 30 GEEDHM C#CCNC(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735381914 598554027 /nfs/dbraw/zinc/55/40/27/598554027.db2.gz SCDLTQKBPOVGKD-OAHLLOKOSA-N -1 3 390.447 2.304 20 30 GEEDHM C#CCNC(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000735381914 598554029 /nfs/dbraw/zinc/55/40/29/598554029.db2.gz SCDLTQKBPOVGKD-OAHLLOKOSA-N -1 3 390.447 2.304 20 30 GEEDHM CC(C)n1ncc2cc(CSc3nc(N)c(-c4nnn[n-]4)cc3C#N)cnc21 ZINC000735963148 598568852 /nfs/dbraw/zinc/56/88/52/598568852.db2.gz BBQZWNGVRBBHRB-UHFFFAOYSA-N -1 3 392.452 2.333 20 30 GEEDHM CC(C)n1ncc2cc(CSc3nc(N)c(-c4nn[n-]n4)cc3C#N)cnc21 ZINC000735963148 598568853 /nfs/dbraw/zinc/56/88/53/598568853.db2.gz BBQZWNGVRBBHRB-UHFFFAOYSA-N -1 3 392.452 2.333 20 30 GEEDHM COc1ccc(C)cc1C(=O)CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000737073547 598569239 /nfs/dbraw/zinc/56/92/39/598569239.db2.gz DNJRJLOTBBSJEV-UHFFFAOYSA-N -1 3 381.421 2.008 20 30 GEEDHM COc1ccc(C)cc1C(=O)CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000737073547 598569240 /nfs/dbraw/zinc/56/92/40/598569240.db2.gz DNJRJLOTBBSJEV-UHFFFAOYSA-N -1 3 381.421 2.008 20 30 GEEDHM N#Cc1nc(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)ccc1Cl ZINC000737728637 598573579 /nfs/dbraw/zinc/57/35/79/598573579.db2.gz SJFGFRTURZIAIH-UHFFFAOYSA-N -1 3 384.806 2.252 20 30 GEEDHM N#Cc1nc(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)ccc1Cl ZINC000737728637 598573580 /nfs/dbraw/zinc/57/35/80/598573580.db2.gz SJFGFRTURZIAIH-UHFFFAOYSA-N -1 3 384.806 2.252 20 30 GEEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822802158 607361610 /nfs/dbraw/zinc/36/16/10/607361610.db2.gz WMZWXCHMEKRCTH-SFHVURJKSA-N -1 3 391.410 2.028 20 30 GEEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822802158 607361612 /nfs/dbraw/zinc/36/16/12/607361612.db2.gz WMZWXCHMEKRCTH-SFHVURJKSA-N -1 3 391.410 2.028 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000735418545 598620863 /nfs/dbraw/zinc/62/08/63/598620863.db2.gz GPDWPQQNRCQWRZ-CQSZACIVSA-N -1 3 380.374 2.018 20 30 GEEDHM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735426373 598638118 /nfs/dbraw/zinc/63/81/18/598638118.db2.gz QDDQLWNRDAUOQP-UHFFFAOYSA-N -1 3 380.383 2.159 20 30 GEEDHM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735426373 598638119 /nfs/dbraw/zinc/63/81/19/598638119.db2.gz QDDQLWNRDAUOQP-UHFFFAOYSA-N -1 3 380.383 2.159 20 30 GEEDHM N#CCCN(CCC#N)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737687540 598685509 /nfs/dbraw/zinc/68/55/09/598685509.db2.gz SNZAELDZHFRXKD-UHFFFAOYSA-N -1 3 388.391 2.324 20 30 GEEDHM N#CCCN(CCC#N)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737687540 598685510 /nfs/dbraw/zinc/68/55/10/598685510.db2.gz SNZAELDZHFRXKD-UHFFFAOYSA-N -1 3 388.391 2.324 20 30 GEEDHM N#Cc1cc(F)ccc1CSCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737706250 598697246 /nfs/dbraw/zinc/69/72/46/598697246.db2.gz WTKHMFMJIWOUKU-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM N#Cc1cc(F)ccc1CSCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737706250 598697248 /nfs/dbraw/zinc/69/72/48/598697248.db2.gz WTKHMFMJIWOUKU-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM C=CCN(CC(=O)NCc1cccc(C)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735416726 598701057 /nfs/dbraw/zinc/70/10/57/598701057.db2.gz PPOZCJMULHXPJG-UHFFFAOYSA-N -1 3 376.464 2.480 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735399114 598713017 /nfs/dbraw/zinc/71/30/17/598713017.db2.gz PIRYTYMJXALADG-ZDUSSCGKSA-N -1 3 389.481 2.315 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735399114 598713019 /nfs/dbraw/zinc/71/30/19/598713019.db2.gz PIRYTYMJXALADG-ZDUSSCGKSA-N -1 3 389.481 2.315 20 30 GEEDHM C#Cc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)nc1 ZINC000735390074 598735627 /nfs/dbraw/zinc/73/56/27/598735627.db2.gz NSHGOQRYWHUEQP-UHFFFAOYSA-N -1 3 386.337 2.448 20 30 GEEDHM C#Cc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)nc1 ZINC000735390074 598735628 /nfs/dbraw/zinc/73/56/28/598735628.db2.gz NSHGOQRYWHUEQP-UHFFFAOYSA-N -1 3 386.337 2.448 20 30 GEEDHM CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735803968 598752237 /nfs/dbraw/zinc/75/22/37/598752237.db2.gz NEMKAEGHRSGDEI-UHFFFAOYSA-N -1 3 389.847 2.247 20 30 GEEDHM CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735803968 598752239 /nfs/dbraw/zinc/75/22/39/598752239.db2.gz NEMKAEGHRSGDEI-UHFFFAOYSA-N -1 3 389.847 2.247 20 30 GEEDHM N#C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCN1C1CC1 ZINC000737680269 598755478 /nfs/dbraw/zinc/75/54/78/598755478.db2.gz ZNPUJMLHACHOFA-MRXNPFEDSA-N -1 3 399.458 2.346 20 30 GEEDHM N#C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCN1C1CC1 ZINC000737680269 598755479 /nfs/dbraw/zinc/75/54/79/598755479.db2.gz ZNPUJMLHACHOFA-MRXNPFEDSA-N -1 3 399.458 2.346 20 30 GEEDHM N#CCCN(C(=O)c1sccc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000737686128 598766280 /nfs/dbraw/zinc/76/62/80/598766280.db2.gz HGGHTKWONOXNIC-UHFFFAOYSA-N -1 3 382.405 2.260 20 30 GEEDHM N#CCCN(C(=O)c1sccc1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000737686128 598766281 /nfs/dbraw/zinc/76/62/81/598766281.db2.gz HGGHTKWONOXNIC-UHFFFAOYSA-N -1 3 382.405 2.260 20 30 GEEDHM N#CCOc1ccccc1C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737696842 598809032 /nfs/dbraw/zinc/80/90/32/598809032.db2.gz AMPYUMMVFQAFOZ-UHFFFAOYSA-N -1 3 386.375 2.207 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819709264 599440910 /nfs/dbraw/zinc/44/09/10/599440910.db2.gz AARGVZJRKMBGND-CQSZACIVSA-N -1 3 376.420 2.439 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819709264 599440911 /nfs/dbraw/zinc/44/09/11/599440911.db2.gz AARGVZJRKMBGND-CQSZACIVSA-N -1 3 376.420 2.439 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819709600 599441575 /nfs/dbraw/zinc/44/15/75/599441575.db2.gz LKBUQCAXKSFRCO-UHFFFAOYSA-N -1 3 380.383 2.017 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819709600 599441576 /nfs/dbraw/zinc/44/15/76/599441576.db2.gz LKBUQCAXKSFRCO-UHFFFAOYSA-N -1 3 380.383 2.017 20 30 GEEDHM COc1ccc(OC)c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000737109410 599461420 /nfs/dbraw/zinc/46/14/20/599461420.db2.gz PNYUPBQNUMKJHX-XQRVVYSFSA-N -1 3 376.376 2.428 20 30 GEEDHM COc1ccc(OC)c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000737109410 599461421 /nfs/dbraw/zinc/46/14/21/599461421.db2.gz PNYUPBQNUMKJHX-XQRVVYSFSA-N -1 3 376.376 2.428 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc3ccc(C#N)cn23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202387 599462898 /nfs/dbraw/zinc/46/28/98/599462898.db2.gz LWMMKMPNBBQRPW-AATRIKPKSA-N -1 3 384.403 2.338 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc3ccc(C#N)cn23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202387 599462901 /nfs/dbraw/zinc/46/29/01/599462901.db2.gz LWMMKMPNBBQRPW-AATRIKPKSA-N -1 3 384.403 2.338 20 30 GEEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2c(c1)CCC(=O)N2 ZINC000738302748 599464830 /nfs/dbraw/zinc/46/48/30/599464830.db2.gz NHVBMUFLKKTEDY-GQCTYLIASA-N -1 3 385.387 2.295 20 30 GEEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2c(c1)CCC(=O)N2 ZINC000738302748 599464832 /nfs/dbraw/zinc/46/48/32/599464832.db2.gz NHVBMUFLKKTEDY-GQCTYLIASA-N -1 3 385.387 2.295 20 30 GEEDHM C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000819745417 599600348 /nfs/dbraw/zinc/60/03/48/599600348.db2.gz BUJBCBMJDQITFB-UHFFFAOYSA-N -1 3 394.410 2.468 20 30 GEEDHM C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000819745417 599600351 /nfs/dbraw/zinc/60/03/51/599600351.db2.gz BUJBCBMJDQITFB-UHFFFAOYSA-N -1 3 394.410 2.468 20 30 GEEDHM C#CCCCNC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819693007 599615405 /nfs/dbraw/zinc/61/54/05/599615405.db2.gz LYAWQCSDNIENMW-UHFFFAOYSA-N -1 3 390.403 2.127 20 30 GEEDHM C#CCCCNC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819693007 599615406 /nfs/dbraw/zinc/61/54/06/599615406.db2.gz LYAWQCSDNIENMW-UHFFFAOYSA-N -1 3 390.403 2.127 20 30 GEEDHM N#Cc1ccc(-c2nnc(COC(=O)c3sccc3-c3nnn[n-]3)o2)cc1 ZINC000822822713 599659020 /nfs/dbraw/zinc/65/90/20/599659020.db2.gz CQTZBONPJJQXAG-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000826251119 607389230 /nfs/dbraw/zinc/38/92/30/607389230.db2.gz FQCUFOOKUNOIJQ-QGZVFWFLSA-N -1 3 388.387 2.009 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000826251119 607389232 /nfs/dbraw/zinc/38/92/32/607389232.db2.gz FQCUFOOKUNOIJQ-QGZVFWFLSA-N -1 3 388.387 2.009 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)N(C)C1(C#N)CCCCC1 ZINC000826251460 607389450 /nfs/dbraw/zinc/38/94/50/607389450.db2.gz QIQUILSVOMQPPX-UHFFFAOYSA-N -1 3 382.424 2.017 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)N(C)C1(C#N)CCCCC1 ZINC000826251460 607389452 /nfs/dbraw/zinc/38/94/52/607389452.db2.gz QIQUILSVOMQPPX-UHFFFAOYSA-N -1 3 382.424 2.017 20 30 GEEDHM C=CCC[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734567 607440627 /nfs/dbraw/zinc/44/06/27/607440627.db2.gz RKAQCXKTYAXMCV-SFHVURJKSA-N -1 3 390.447 2.420 20 30 GEEDHM C=CCC[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734567 607440628 /nfs/dbraw/zinc/44/06/28/607440628.db2.gz RKAQCXKTYAXMCV-SFHVURJKSA-N -1 3 390.447 2.420 20 30 GEEDHM N#CCOc1ccc(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826382314 607455629 /nfs/dbraw/zinc/45/56/29/607455629.db2.gz YFNKCNOEKOYEHM-UHFFFAOYSA-N -1 3 389.419 2.258 20 30 GEEDHM N#CCOc1ccc(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826382314 607455630 /nfs/dbraw/zinc/45/56/30/607455630.db2.gz YFNKCNOEKOYEHM-UHFFFAOYSA-N -1 3 389.419 2.258 20 30 GEEDHM N#Cc1cccc(C2(NC(=O)NCCOc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826386959 607459248 /nfs/dbraw/zinc/45/92/48/607459248.db2.gz ZMYBMHYVVKJIKX-UHFFFAOYSA-N -1 3 389.419 2.106 20 30 GEEDHM N#Cc1ccc([C@H](N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)C(=O)[O-])cc1 ZINC000833072342 600761139 /nfs/dbraw/zinc/76/11/39/600761139.db2.gz RSSNOULJWDPFKI-BNDYYXHWSA-N -1 3 375.428 2.431 20 30 GEEDHM CCc1cnc(CN(C(C)=O)[C@@H]2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000830290302 601028427 /nfs/dbraw/zinc/02/84/27/601028427.db2.gz LBOIEMFKSSXILO-XLIONFOSSA-N -1 3 396.447 2.357 20 30 GEEDHM N#CCSc1ccccc1NC(=O)CN(CCC(=O)[O-])C1CCOCC1 ZINC000833069193 601049131 /nfs/dbraw/zinc/04/91/31/601049131.db2.gz PAKVSAJZUZIAND-UHFFFAOYSA-N -1 3 377.466 2.196 20 30 GEEDHM N#Cc1cnc2ccccc2c1N1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000826387908 607491948 /nfs/dbraw/zinc/49/19/48/607491948.db2.gz YDUTVUDIBUOZOQ-UHFFFAOYSA-N -1 3 397.446 2.004 20 30 GEEDHM N#Cc1cnc2ccccc2c1N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826387908 607491950 /nfs/dbraw/zinc/49/19/50/607491950.db2.gz YDUTVUDIBUOZOQ-UHFFFAOYSA-N -1 3 397.446 2.004 20 30 GEEDHM COc1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1C#N ZINC000826195158 607493223 /nfs/dbraw/zinc/49/32/23/607493223.db2.gz JTKQBQJJCQJZBA-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739605606 602168181 /nfs/dbraw/zinc/16/81/81/602168181.db2.gz BHMZVGOLHVXBHA-SFHVURJKSA-N -1 3 387.484 2.021 20 30 GEEDHM C=C(C)CN1CCC(NC(=O)NC[C@H](NC(=O)[O-])c2ccccc2OC)CC1 ZINC000738485875 602679380 /nfs/dbraw/zinc/67/93/80/602679380.db2.gz VZJHBPBCHUAGSN-KRWDZBQOSA-N -1 3 390.484 2.344 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824640510 607586520 /nfs/dbraw/zinc/58/65/20/607586520.db2.gz KCDYCBOFPBZKLT-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824640510 607586521 /nfs/dbraw/zinc/58/65/21/607586521.db2.gz KCDYCBOFPBZKLT-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)cc1C ZINC000826158385 607661056 /nfs/dbraw/zinc/66/10/56/607661056.db2.gz NINMLDSTHAPWSS-UHFFFAOYSA-N -1 3 376.420 2.336 20 30 GEEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)cc1C ZINC000826158385 607661058 /nfs/dbraw/zinc/66/10/58/607661058.db2.gz NINMLDSTHAPWSS-UHFFFAOYSA-N -1 3 376.420 2.336 20 30 GEEDHM CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000827015582 604515251 /nfs/dbraw/zinc/51/52/51/604515251.db2.gz FEILYNUGISWJME-GXTWGEPZSA-N -1 3 375.450 2.283 20 30 GEEDHM CCOc1ccnc(N2CCCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)n1 ZINC000830117213 604682542 /nfs/dbraw/zinc/68/25/42/604682542.db2.gz UFSJUVLXBBWBJM-GOSISDBHSA-N -1 3 381.436 2.085 20 30 GEEDHM CC(C)(C#N)CCCCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000444675171 649951563 /nfs/dbraw/zinc/95/15/63/649951563.db2.gz MROVQQJEYCZPFS-UHFFFAOYSA-N -1 3 384.468 2.157 20 30 GEEDHM CCOC(=O)Nc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000825531463 607759129 /nfs/dbraw/zinc/75/91/29/607759129.db2.gz KYHOEBOYLYUQLB-UHFFFAOYSA-N -1 3 391.391 2.488 20 30 GEEDHM CCOC(=O)Nc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000825531463 607759130 /nfs/dbraw/zinc/75/91/30/607759130.db2.gz KYHOEBOYLYUQLB-UHFFFAOYSA-N -1 3 391.391 2.488 20 30 GEEDHM C=CCSCCNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823937425 607765710 /nfs/dbraw/zinc/76/57/10/607765710.db2.gz XFIGCTXWUYHPQM-UHFFFAOYSA-N -1 3 391.457 2.476 20 30 GEEDHM C=CCSCCNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823937425 607765711 /nfs/dbraw/zinc/76/57/11/607765711.db2.gz XFIGCTXWUYHPQM-UHFFFAOYSA-N -1 3 391.457 2.476 20 30 GEEDHM O=C([O-])N[C@H]1CCCC1=NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000834171574 605857900 /nfs/dbraw/zinc/85/79/00/605857900.db2.gz ZNCUYGVFRLUGJQ-INIZCTEOSA-N -1 3 389.525 2.291 20 30 GEEDHM Brc1cn2c(C=NNc3ccc(-c4nn[n-]n4)cc3)cnc2cn1 ZINC000819688345 606032389 /nfs/dbraw/zinc/03/23/89/606032389.db2.gz HFPYCFOQVNKUKN-UHFFFAOYSA-N -1 3 384.201 2.118 20 30 GEEDHM COCCN(CCC#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821688949 606153686 /nfs/dbraw/zinc/15/36/86/606153686.db2.gz FCVLXIQQTSZOKK-UHFFFAOYSA-N -1 3 383.334 2.279 20 30 GEEDHM COCCN(CCC#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821688949 606153687 /nfs/dbraw/zinc/15/36/87/606153687.db2.gz FCVLXIQQTSZOKK-UHFFFAOYSA-N -1 3 383.334 2.279 20 30 GEEDHM C#CCOc1ccc(F)cc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819709271 606249606 /nfs/dbraw/zinc/24/96/06/606249606.db2.gz AGNWTCZGQJKGEY-MRXNPFEDSA-N -1 3 392.394 2.235 20 30 GEEDHM C#CCOc1ccc(F)cc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819709271 606249608 /nfs/dbraw/zinc/24/96/08/606249608.db2.gz AGNWTCZGQJKGEY-MRXNPFEDSA-N -1 3 392.394 2.235 20 30 GEEDHM C#CCOc1cc(F)ccc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000819709939 606249767 /nfs/dbraw/zinc/24/97/67/606249767.db2.gz UKLOMSVDBGIKJO-AWEZNQCLSA-N -1 3 398.423 2.297 20 30 GEEDHM C#CCOc1cc(F)ccc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000819709939 606249769 /nfs/dbraw/zinc/24/97/69/606249769.db2.gz UKLOMSVDBGIKJO-AWEZNQCLSA-N -1 3 398.423 2.297 20 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606432907 /nfs/dbraw/zinc/43/29/07/606432907.db2.gz KRZWCAGXVKDIIC-ZWKOTPCHSA-N -1 3 394.460 2.327 20 30 GEEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822801600 606432909 /nfs/dbraw/zinc/43/29/09/606432909.db2.gz KRZWCAGXVKDIIC-ZWKOTPCHSA-N -1 3 394.460 2.327 20 30 GEEDHM N#Cc1csc(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822845744 606566081 /nfs/dbraw/zinc/56/60/81/606566081.db2.gz GIDRFSWMYPHYEL-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM N#Cc1csc(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822845744 606566082 /nfs/dbraw/zinc/56/60/82/606566082.db2.gz GIDRFSWMYPHYEL-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM N#CCNC(=O)CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822810057 606625434 /nfs/dbraw/zinc/62/54/34/606625434.db2.gz BCDRJIWLTBKMMJ-UHFFFAOYSA-N -1 3 397.826 2.151 20 30 GEEDHM N#CCNC(=O)CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822810057 606625436 /nfs/dbraw/zinc/62/54/36/606625436.db2.gz BCDRJIWLTBKMMJ-UHFFFAOYSA-N -1 3 397.826 2.151 20 30 GEEDHM C=CCCCN(C)S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000819739596 606639005 /nfs/dbraw/zinc/63/90/05/606639005.db2.gz AKIWPRKHKDXWPZ-UHFFFAOYSA-N -1 3 386.275 2.216 20 30 GEEDHM C=CCCCN(C)S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000819739596 606639006 /nfs/dbraw/zinc/63/90/06/606639006.db2.gz AKIWPRKHKDXWPZ-UHFFFAOYSA-N -1 3 386.275 2.216 20 30 GEEDHM N#CC1(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CCCCC1 ZINC000822801039 606659046 /nfs/dbraw/zinc/65/90/46/606659046.db2.gz DKGCZMBJCRGEQJ-UHFFFAOYSA-N -1 3 395.467 2.240 20 30 GEEDHM N#CC1(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CCCCC1 ZINC000822801039 606659047 /nfs/dbraw/zinc/65/90/47/606659047.db2.gz DKGCZMBJCRGEQJ-UHFFFAOYSA-N -1 3 395.467 2.240 20 30 GEEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821690541 606668063 /nfs/dbraw/zinc/66/80/63/606668063.db2.gz PIAWPJGQDJLQQY-UHFFFAOYSA-N -1 3 398.373 2.305 20 30 GEEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821690541 606668064 /nfs/dbraw/zinc/66/80/64/606668064.db2.gz PIAWPJGQDJLQQY-UHFFFAOYSA-N -1 3 398.373 2.305 20 30 GEEDHM CC(C)C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)N1CCCCC1=O ZINC000820051299 606680707 /nfs/dbraw/zinc/68/07/07/606680707.db2.gz MMPFZOIRYFPWJC-INIZCTEOSA-N -1 3 381.440 2.104 20 30 GEEDHM CC(C)C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)N1CCCCC1=O ZINC000820051299 606680708 /nfs/dbraw/zinc/68/07/08/606680708.db2.gz MMPFZOIRYFPWJC-INIZCTEOSA-N -1 3 381.440 2.104 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CSCCS1 ZINC000819744051 606719235 /nfs/dbraw/zinc/71/92/35/606719235.db2.gz UTXSKVLXTQJBFZ-HNNXBMFYSA-N -1 3 390.538 2.413 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CSCCS1 ZINC000819744051 606719237 /nfs/dbraw/zinc/71/92/37/606719237.db2.gz UTXSKVLXTQJBFZ-HNNXBMFYSA-N -1 3 390.538 2.413 20 30 GEEDHM N#Cc1cc(NC(=O)CCc2nnc(C3CCCC3)o2)ccc1-c1nnn[n-]1 ZINC000822822966 606733295 /nfs/dbraw/zinc/73/32/95/606733295.db2.gz JOCCKGPZNSSTBN-UHFFFAOYSA-N -1 3 378.396 2.350 20 30 GEEDHM N#Cc1cc(NC(=O)CCc2nnc(C3CCCC3)o2)ccc1-c1nn[n-]n1 ZINC000822822966 606733297 /nfs/dbraw/zinc/73/32/97/606733297.db2.gz JOCCKGPZNSSTBN-UHFFFAOYSA-N -1 3 378.396 2.350 20 30 GEEDHM N#CCc1ccc(NC(=O)COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822815291 606759540 /nfs/dbraw/zinc/75/95/40/606759540.db2.gz OKBHEVVTGXIPPX-UHFFFAOYSA-N -1 3 398.329 2.006 20 30 GEEDHM N#CCc1ccc(NC(=O)COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822815291 606759541 /nfs/dbraw/zinc/75/95/41/606759541.db2.gz OKBHEVVTGXIPPX-UHFFFAOYSA-N -1 3 398.329 2.006 20 30 GEEDHM N#CCOc1cc(F)ccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822811364 606772923 /nfs/dbraw/zinc/77/29/23/606772923.db2.gz XXOXEGCQBMQCOD-UHFFFAOYSA-N -1 3 385.334 2.369 20 30 GEEDHM N#CCOc1cc(F)ccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822811364 606772924 /nfs/dbraw/zinc/77/29/24/606772924.db2.gz XXOXEGCQBMQCOD-UHFFFAOYSA-N -1 3 385.334 2.369 20 30 GEEDHM C=C[C@@H](C)NC(=O)COc1c(Br)cc(-c2nnn[n-]2)cc1OCC ZINC000819729214 606813429 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N#Cc1ccc(N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)c(F)c1 ZINC000822829631 606968927 /nfs/dbraw/zinc/96/89/27/606968927.db2.gz BBZCTNBSVHXSSJ-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1ccc(N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)c(F)c1 ZINC000822829631 606968928 /nfs/dbraw/zinc/96/89/28/606968928.db2.gz BBZCTNBSVHXSSJ-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000822801606 606975383 /nfs/dbraw/zinc/97/53/83/606975383.db2.gz KSCCRAQDRZIQMH-LJQANCHMSA-N -1 3 377.427 2.388 20 30 GEEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000822801606 606975384 /nfs/dbraw/zinc/97/53/84/606975384.db2.gz KSCCRAQDRZIQMH-LJQANCHMSA-N -1 3 377.427 2.388 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822500663 606995920 /nfs/dbraw/zinc/99/59/20/606995920.db2.gz ADGDWXDWOQZGGK-UHFFFAOYSA-N -1 3 397.414 2.409 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822500663 606995921 /nfs/dbraw/zinc/99/59/21/606995921.db2.gz ADGDWXDWOQZGGK-UHFFFAOYSA-N -1 3 397.414 2.409 20 30 GEEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000819996957 607044165 /nfs/dbraw/zinc/04/41/65/607044165.db2.gz OWLZBOQWPJJSOW-UHFFFAOYSA-N -1 3 392.419 2.091 20 30 GEEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000819996957 607044167 /nfs/dbraw/zinc/04/41/67/607044167.db2.gz OWLZBOQWPJJSOW-UHFFFAOYSA-N -1 3 392.419 2.091 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(C#N)cc1 ZINC000820316022 607179799 /nfs/dbraw/zinc/17/97/99/607179799.db2.gz RCMRDOZELJRYEZ-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(C#N)cc1 ZINC000820316022 607179800 /nfs/dbraw/zinc/17/98/00/607179800.db2.gz RCMRDOZELJRYEZ-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000819743344 607213886 /nfs/dbraw/zinc/21/38/86/607213886.db2.gz HDYKZEKIFXFTJP-ZDUSSCGKSA-N -1 3 380.456 2.227 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823903749 607784226 /nfs/dbraw/zinc/78/42/26/607784226.db2.gz IXKVDZBWIRPSRY-CYBMUJFWSA-N -1 3 399.455 2.436 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823903749 607784227 /nfs/dbraw/zinc/78/42/27/607784227.db2.gz IXKVDZBWIRPSRY-CYBMUJFWSA-N -1 3 399.455 2.436 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)n2)cc1-c1nnn[n-]1 ZINC000826385347 607786177 /nfs/dbraw/zinc/78/61/77/607786177.db2.gz IGNYRIDSJFPLAW-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)n2)cc1-c1nn[n-]n1 ZINC000826385347 607786178 /nfs/dbraw/zinc/78/61/78/607786178.db2.gz IGNYRIDSJFPLAW-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM C=CCc1ccc(OC[C@H](O)COc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000823937045 607870674 /nfs/dbraw/zinc/87/06/74/607870674.db2.gz GAEJGQAITXEEKD-MRXNPFEDSA-N -1 3 382.420 2.423 20 30 GEEDHM C=CCc1ccc(OC[C@H](O)COc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000823937045 607870675 /nfs/dbraw/zinc/87/06/75/607870675.db2.gz GAEJGQAITXEEKD-MRXNPFEDSA-N -1 3 382.420 2.423 20 30 GEEDHM C#CC[C@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)c1ccccc1 ZINC000823837866 607956100 /nfs/dbraw/zinc/95/61/00/607956100.db2.gz HWIATLXFPOQCTG-SFHVURJKSA-N -1 3 398.430 2.129 20 30 GEEDHM C#CC[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)c1ccccc1 ZINC000823837866 607956101 /nfs/dbraw/zinc/95/61/01/607956101.db2.gz HWIATLXFPOQCTG-SFHVURJKSA-N -1 3 398.430 2.129 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nc(CO)n(C2CC2)c1=S ZINC000823914354 607970305 /nfs/dbraw/zinc/97/03/05/607970305.db2.gz HGCKCSACPHYGRE-UHFFFAOYSA-N -1 3 398.496 2.067 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nc(CO)n(C2CC2)c1=S ZINC000823914354 607970306 /nfs/dbraw/zinc/97/03/06/607970306.db2.gz HGCKCSACPHYGRE-UHFFFAOYSA-N -1 3 398.496 2.067 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826116913 607978663 /nfs/dbraw/zinc/97/86/63/607978663.db2.gz FKNULQHBXBNNBH-INIZCTEOSA-N -1 3 377.360 2.004 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826116913 607978664 /nfs/dbraw/zinc/97/86/64/607978664.db2.gz FKNULQHBXBNNBH-INIZCTEOSA-N -1 3 377.360 2.004 20 30 GEEDHM N#CCc1ccc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000826382580 607978927 /nfs/dbraw/zinc/97/89/27/607978927.db2.gz KWXIRBGHLUOAEU-UHFFFAOYSA-N -1 3 387.359 2.340 20 30 GEEDHM N#CCc1ccc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000826382580 607978928 /nfs/dbraw/zinc/97/89/28/607978928.db2.gz KWXIRBGHLUOAEU-UHFFFAOYSA-N -1 3 387.359 2.340 20 30 GEEDHM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826213369 608028425 /nfs/dbraw/zinc/02/84/25/608028425.db2.gz VEYZFILOLMWCAF-LBPRGKRZSA-N -1 3 376.376 2.252 20 30 GEEDHM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000826213369 608028426 /nfs/dbraw/zinc/02/84/26/608028426.db2.gz VEYZFILOLMWCAF-LBPRGKRZSA-N -1 3 376.376 2.252 20 30 GEEDHM COc1ccc(C#N)cc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826186680 608071928 /nfs/dbraw/zinc/07/19/28/608071928.db2.gz GXHQHLKMACVRLC-LJQANCHMSA-N -1 3 376.420 2.320 20 30 GEEDHM COc1ccc(C#N)cc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826186680 608071929 /nfs/dbraw/zinc/07/19/29/608071929.db2.gz GXHQHLKMACVRLC-LJQANCHMSA-N -1 3 376.420 2.320 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CCO2)c1 ZINC000826386704 608073299 /nfs/dbraw/zinc/07/32/99/608073299.db2.gz PFLHZYWABGDFAA-QGZVFWFLSA-N -1 3 393.382 2.483 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CCO2)c1 ZINC000826386704 608073300 /nfs/dbraw/zinc/07/33/00/608073300.db2.gz PFLHZYWABGDFAA-QGZVFWFLSA-N -1 3 393.382 2.483 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)c3ncc(-c4nnn[n-]4)cc3Cl)CCO2)c1 ZINC000826386390 608085744 /nfs/dbraw/zinc/08/57/44/608085744.db2.gz BUGIJZRKCQFDMA-HNNXBMFYSA-N -1 3 395.810 2.000 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)c3ncc(-c4nn[n-]n4)cc3Cl)CCO2)c1 ZINC000826386390 608085745 /nfs/dbraw/zinc/08/57/45/608085745.db2.gz BUGIJZRKCQFDMA-HNNXBMFYSA-N -1 3 395.810 2.000 20 30 GEEDHM N#Cc1ccnc(SCCOCCSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000826387757 608111018 /nfs/dbraw/zinc/11/10/18/608111018.db2.gz PQKDIUUDNQCZIJ-UHFFFAOYSA-N -1 3 385.478 2.429 20 30 GEEDHM N#Cc1ccnc(SCCOCCSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000826387757 608111019 /nfs/dbraw/zinc/11/10/19/608111019.db2.gz PQKDIUUDNQCZIJ-UHFFFAOYSA-N -1 3 385.478 2.429 20 30 GEEDHM N#CCCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826381278 608143107 /nfs/dbraw/zinc/14/31/07/608143107.db2.gz FQSFUSNTHJAZAT-UHFFFAOYSA-N -1 3 391.391 2.017 20 30 GEEDHM N#CCCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826381278 608143108 /nfs/dbraw/zinc/14/31/08/608143108.db2.gz FQSFUSNTHJAZAT-UHFFFAOYSA-N -1 3 391.391 2.017 20 30 GEEDHM COC[C@H](C#N)OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826147926 608146434 /nfs/dbraw/zinc/14/64/34/608146434.db2.gz QWTDODKRYXPYPC-INIZCTEOSA-N -1 3 379.376 2.141 20 30 GEEDHM COC[C@H](C#N)OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826147926 608146435 /nfs/dbraw/zinc/14/64/35/608146435.db2.gz QWTDODKRYXPYPC-INIZCTEOSA-N -1 3 379.376 2.141 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1CON=Cc1ccc(-n2cncn2)cc1 ZINC000826184649 608150049 /nfs/dbraw/zinc/15/00/49/608150049.db2.gz FTBKZNXFEJQZIP-UHFFFAOYSA-N -1 3 376.380 2.007 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384242 608160570 /nfs/dbraw/zinc/16/05/70/608160570.db2.gz MSGQFOBHLMGUDN-UHFFFAOYSA-N -1 3 383.755 2.481 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384242 608160571 /nfs/dbraw/zinc/16/05/71/608160571.db2.gz MSGQFOBHLMGUDN-UHFFFAOYSA-N -1 3 383.755 2.481 20 30 GEEDHM N#Cc1cnn2c1[nH]c(CSc1cccc(Cl)c1-c1nnn[n-]1)cc2=O ZINC000826387744 608206533 /nfs/dbraw/zinc/20/65/33/608206533.db2.gz OLHIJFZKVXRJAR-UHFFFAOYSA-N -1 3 384.812 2.432 20 30 GEEDHM N#Cc1cnn2c1[nH]c(CSc1cccc(Cl)c1-c1nn[n-]n1)cc2=O ZINC000826387744 608206534 /nfs/dbraw/zinc/20/65/34/608206534.db2.gz OLHIJFZKVXRJAR-UHFFFAOYSA-N -1 3 384.812 2.432 20 30 GEEDHM C[C@@H]1CC(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)=NO1 ZINC000824894577 608207890 /nfs/dbraw/zinc/20/78/90/608207890.db2.gz YWYPZDXSRUANLW-GFCCVEGCSA-N -1 3 378.392 2.298 20 30 GEEDHM C[C@@H]1CC(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)=NO1 ZINC000824894577 608207891 /nfs/dbraw/zinc/20/78/91/608207891.db2.gz YWYPZDXSRUANLW-GFCCVEGCSA-N -1 3 378.392 2.298 20 30 GEEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)cc1OC)S(=O)(=O)c1cccs1 ZINC000823909938 608323061 /nfs/dbraw/zinc/32/30/61/608323061.db2.gz SMONRQWEQZZRER-UHFFFAOYSA-N -1 3 391.478 2.314 20 30 GEEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)cc1OC)S(=O)(=O)c1cccs1 ZINC000823909938 608323063 /nfs/dbraw/zinc/32/30/63/608323063.db2.gz SMONRQWEQZZRER-UHFFFAOYSA-N -1 3 391.478 2.314 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000826170745 608346738 /nfs/dbraw/zinc/34/67/38/608346738.db2.gz NTJBJIUFQAQTLL-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000826170745 608346740 /nfs/dbraw/zinc/34/67/40/608346740.db2.gz NTJBJIUFQAQTLL-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM N#CCCn1ncc2c1ncnc2N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826382319 608442320 /nfs/dbraw/zinc/44/23/20/608442320.db2.gz YKZJSIVCQKINQA-UHFFFAOYSA-N -1 3 398.434 2.214 20 30 GEEDHM C=CCOc1cccnc1C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823932124 608457425 /nfs/dbraw/zinc/45/74/25/608457425.db2.gz PFGVNKKPDQOCOO-GFCCVEGCSA-N -1 3 394.391 2.011 20 30 GEEDHM C=CCOc1cccnc1C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823932124 608457427 /nfs/dbraw/zinc/45/74/27/608457427.db2.gz PFGVNKKPDQOCOO-GFCCVEGCSA-N -1 3 394.391 2.011 20 30 GEEDHM N#Cc1ccc(NC(=O)CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826385332 608460748 /nfs/dbraw/zinc/46/07/48/608460748.db2.gz HNUWALBYQZMNBQ-UHFFFAOYSA-N -1 3 385.431 2.466 20 30 GEEDHM N#Cc1ccc(NC(=O)CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385332 608460749 /nfs/dbraw/zinc/46/07/49/608460749.db2.gz HNUWALBYQZMNBQ-UHFFFAOYSA-N -1 3 385.431 2.466 20 30 GEEDHM Oc1cccc(C=NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1O ZINC000826511088 608527103 /nfs/dbraw/zinc/52/71/03/608527103.db2.gz BMZXEFRSOLDJGY-JMIUGGIZSA-N -1 3 380.408 2.482 20 30 GEEDHM Oc1cccc(C=NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1O ZINC000826511088 608527105 /nfs/dbraw/zinc/52/71/05/608527105.db2.gz BMZXEFRSOLDJGY-JMIUGGIZSA-N -1 3 380.408 2.482 20 30 GEEDHM N#C[C@H]1CSCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826380592 608547743 /nfs/dbraw/zinc/54/77/43/608547743.db2.gz GPFLONLBRFROOA-ZDUSSCGKSA-N -1 3 396.432 2.120 20 30 GEEDHM N#CCC[C@@H](NCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381377 608555634 /nfs/dbraw/zinc/55/56/34/608555634.db2.gz JIMDIZXLUZTSED-GOSISDBHSA-N -1 3 396.476 2.275 20 30 GEEDHM N#CCC[C@@H](NCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381377 608555636 /nfs/dbraw/zinc/55/56/36/608555636.db2.gz JIMDIZXLUZTSED-GOSISDBHSA-N -1 3 396.476 2.275 20 30 GEEDHM CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826223875 608879174 /nfs/dbraw/zinc/87/91/74/608879174.db2.gz DJBOJDIUTXYNON-SOFGYWHQSA-N -1 3 387.396 2.273 20 30 GEEDHM CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826223875 608879177 /nfs/dbraw/zinc/87/91/77/608879177.db2.gz DJBOJDIUTXYNON-SOFGYWHQSA-N -1 3 387.396 2.273 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnc(OCCOC)c1 ZINC000823914159 609179598 /nfs/dbraw/zinc/17/95/98/609179598.db2.gz BVWXQEHRHAXKFT-UHFFFAOYSA-N -1 3 394.435 2.115 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnc(OCCOC)c1 ZINC000823914159 609179600 /nfs/dbraw/zinc/17/96/00/609179600.db2.gz BVWXQEHRHAXKFT-UHFFFAOYSA-N -1 3 394.435 2.115 20 30 GEEDHM CCN(C(=O)[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367334 609210735 /nfs/dbraw/zinc/21/07/35/609210735.db2.gz NMBFISLFGYXTMN-SCLBCKFNSA-N -1 3 376.420 2.381 20 30 GEEDHM CCN(C(=O)[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367334 609210737 /nfs/dbraw/zinc/21/07/37/609210737.db2.gz NMBFISLFGYXTMN-SCLBCKFNSA-N -1 3 376.420 2.381 20 30 GEEDHM CCN(C(=O)[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367333 609210896 /nfs/dbraw/zinc/21/08/96/609210896.db2.gz NMBFISLFGYXTMN-FZKQIMNGSA-N -1 3 376.420 2.381 20 30 GEEDHM CCN(C(=O)[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367333 609210897 /nfs/dbraw/zinc/21/08/97/609210897.db2.gz NMBFISLFGYXTMN-FZKQIMNGSA-N -1 3 376.420 2.381 20 30 GEEDHM Cc1nc(SCC(=O)N2CCC(C)(C#N)CC2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327418 609264606 /nfs/dbraw/zinc/26/46/06/609264606.db2.gz GVHQQJMRZQDYTB-UHFFFAOYSA-N -1 3 385.497 2.431 20 30 GEEDHM Cc1nc(SCC(=O)N2CCC(C)(C#N)CC2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327418 609264607 /nfs/dbraw/zinc/26/46/07/609264607.db2.gz GVHQQJMRZQDYTB-UHFFFAOYSA-N -1 3 385.497 2.431 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H](Sc3cc(-c4nnn[n-]4)ccn3)C2=O)cc1 ZINC000826385565 609419042 /nfs/dbraw/zinc/41/90/42/609419042.db2.gz RKVOFDUNJIFDSS-HNNXBMFYSA-N -1 3 377.433 2.421 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H](Sc3cc(-c4nn[n-]n4)ccn3)C2=O)cc1 ZINC000826385565 609419044 /nfs/dbraw/zinc/41/90/44/609419044.db2.gz RKVOFDUNJIFDSS-HNNXBMFYSA-N -1 3 377.433 2.421 20 30 GEEDHM O=C1Nc2cc3c(cc2C1=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)OCCO3 ZINC000826506625 609474988 /nfs/dbraw/zinc/47/49/88/609474988.db2.gz YGTGVGSODWVOCK-UHFFFAOYSA-N -1 3 397.782 2.060 20 30 GEEDHM O=C1Nc2cc3c(cc2C1=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)OCCO3 ZINC000826506625 609474990 /nfs/dbraw/zinc/47/49/90/609474990.db2.gz YGTGVGSODWVOCK-UHFFFAOYSA-N -1 3 397.782 2.060 20 30 GEEDHM CC(=NN[C@H]1CCO[C@H](C)C1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823953601 609519073 /nfs/dbraw/zinc/51/90/73/609519073.db2.gz IOIWHESEZIUAOV-WBMJQRKESA-N -1 3 380.456 2.242 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2=O)cc1 ZINC000826385731 609575498 /nfs/dbraw/zinc/57/54/98/609575498.db2.gz YFNXPVLEVGBJGL-HNNXBMFYSA-N -1 3 394.826 2.394 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2=O)cc1 ZINC000826385731 609575500 /nfs/dbraw/zinc/57/55/00/609575500.db2.gz YFNXPVLEVGBJGL-HNNXBMFYSA-N -1 3 394.826 2.394 20 30 GEEDHM C[C@H](C#N)CN(C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000510361796 650510695 /nfs/dbraw/zinc/51/06/95/650510695.db2.gz KYYRBZKHUUOLDO-SNVBAGLBSA-N -1 3 393.296 2.073 20 30 GEEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000530547238 650726397 /nfs/dbraw/zinc/72/63/97/650726397.db2.gz MGPPMYBPUGINFT-GFCCVEGCSA-N -1 3 388.276 2.322 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)c(C(F)(F)F)c1 ZINC000533799169 650765734 /nfs/dbraw/zinc/76/57/34/650765734.db2.gz ZENYCDGTDIAWAI-QMMMGPOBSA-N -1 3 376.278 2.169 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533618491 650763781 /nfs/dbraw/zinc/76/37/81/650763781.db2.gz NNXQIUHBOSFTAF-SNVBAGLBSA-N -1 3 379.825 2.223 20 30 GEEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H](O)C(F)F ZINC000295742748 647238284 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598872487 /nfs/dbraw/zinc/87/24/87/598872487.db2.gz GCENDIBMYMNSIZ-UHFFFAOYSA-N -1 3 398.423 2.231 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(F)c1 ZINC000737722743 598872529 /nfs/dbraw/zinc/87/25/29/598872529.db2.gz LVZRSOKOCCBUFP-UHFFFAOYSA-N -1 3 398.423 2.231 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(F)c1 ZINC000737722743 598872531 /nfs/dbraw/zinc/87/25/31/598872531.db2.gz LVZRSOKOCCBUFP-UHFFFAOYSA-N -1 3 398.423 2.231 20 30 GEEDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)COc1cccc(C#N)c1 ZINC000736036464 598887398 /nfs/dbraw/zinc/88/73/98/598887398.db2.gz AXQFXWUPPCBVRZ-CYBMUJFWSA-N -1 3 379.376 2.128 20 30 GEEDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)COc1cccc(C#N)c1 ZINC000736036464 598887400 /nfs/dbraw/zinc/88/74/00/598887400.db2.gz AXQFXWUPPCBVRZ-CYBMUJFWSA-N -1 3 379.376 2.128 20 30 GEEDHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cn2)n1 ZINC000737257499 598914044 /nfs/dbraw/zinc/91/40/44/598914044.db2.gz USRVGGZYMBOLFQ-UHFFFAOYSA-N 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ZINC000735725175 598916388 /nfs/dbraw/zinc/91/63/88/598916388.db2.gz UTBZFLJMUWLVHF-OAHLLOKOSA-N -1 3 395.448 2.193 20 30 GEEDHM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735725175 598916389 /nfs/dbraw/zinc/91/63/89/598916389.db2.gz UTBZFLJMUWLVHF-OAHLLOKOSA-N -1 3 395.448 2.193 20 30 GEEDHM COc1cc(OC)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1OC ZINC000737052339 598919636 /nfs/dbraw/zinc/91/96/36/598919636.db2.gz RFUAXOPTHPXINW-UHFFFAOYSA-N -1 3 380.364 2.016 20 30 GEEDHM COc1cc(OC)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1OC ZINC000737052339 598919638 /nfs/dbraw/zinc/91/96/38/598919638.db2.gz RFUAXOPTHPXINW-UHFFFAOYSA-N -1 3 380.364 2.016 20 30 GEEDHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737513286 598920047 /nfs/dbraw/zinc/92/00/47/598920047.db2.gz JQCPRNHTDUCZBJ-UHFFFAOYSA-N -1 3 378.440 2.389 20 30 GEEDHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737513286 598920049 /nfs/dbraw/zinc/92/00/49/598920049.db2.gz JQCPRNHTDUCZBJ-UHFFFAOYSA-N -1 3 378.440 2.389 20 30 GEEDHM COc1cccc(CO[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737132832 598925227 /nfs/dbraw/zinc/92/52/27/598925227.db2.gz RTTNKORIHFNYIC-GFCCVEGCSA-N -1 3 378.392 2.291 20 30 GEEDHM COc1cccc(CO[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737132832 598925229 /nfs/dbraw/zinc/92/52/29/598925229.db2.gz RTTNKORIHFNYIC-GFCCVEGCSA-N -1 3 378.392 2.291 20 30 GEEDHM C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735374853 598954360 /nfs/dbraw/zinc/95/43/60/598954360.db2.gz NALFUCRDNWROCU-UHFFFAOYSA-N -1 3 385.424 2.138 20 30 GEEDHM C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735374853 598954361 /nfs/dbraw/zinc/95/43/61/598954361.db2.gz NALFUCRDNWROCU-UHFFFAOYSA-N -1 3 385.424 2.138 20 30 GEEDHM N#Cc1nnc2ccccc2c1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737729729 598965678 /nfs/dbraw/zinc/96/56/78/598965678.db2.gz CGRCLDQYCJTZEW-UHFFFAOYSA-N -1 3 398.434 2.157 20 30 GEEDHM N#Cc1nnc2ccccc2c1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737729729 598965680 /nfs/dbraw/zinc/96/56/80/598965680.db2.gz CGRCLDQYCJTZEW-UHFFFAOYSA-N -1 3 398.434 2.157 20 30 GEEDHM C=CC[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)c1ccncc1 ZINC000735410143 598969124 /nfs/dbraw/zinc/96/91/24/598969124.db2.gz VJISRWBDEXXPNG-OAHLLOKOSA-N -1 3 380.408 2.083 20 30 GEEDHM C=CC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)c1ccncc1 ZINC000735410143 598969126 /nfs/dbraw/zinc/96/91/26/598969126.db2.gz VJISRWBDEXXPNG-OAHLLOKOSA-N -1 3 380.408 2.083 20 30 GEEDHM C[C@H]1Sc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cc2NC1=O ZINC000736302186 599112959 /nfs/dbraw/zinc/11/29/59/599112959.db2.gz QGTLOUCCPLVKNV-SECBINFHSA-N -1 3 391.416 2.423 20 30 GEEDHM C[C@H]1Sc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc2NC1=O ZINC000736302186 599112961 /nfs/dbraw/zinc/11/29/61/599112961.db2.gz QGTLOUCCPLVKNV-SECBINFHSA-N -1 3 391.416 2.423 20 30 GEEDHM C#Cc1cccc(NC(=S)NN=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000735390978 599127161 /nfs/dbraw/zinc/12/71/61/599127161.db2.gz JOYBKGHLCOEBJJ-UHFFFAOYSA-N -1 3 377.433 2.177 20 30 GEEDHM C#Cc1cccc(NC(=S)NN=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000735390978 599127164 /nfs/dbraw/zinc/12/71/64/599127164.db2.gz JOYBKGHLCOEBJJ-UHFFFAOYSA-N -1 3 377.433 2.177 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cc(N3CCOC3=O)ccc2F)cc1-c1nnn[n-]1 ZINC000737720172 599192875 /nfs/dbraw/zinc/19/28/75/599192875.db2.gz ZCCFEEIQMKOSSJ-UHFFFAOYSA-N -1 3 393.338 2.086 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cc(N3CCOC3=O)ccc2F)cc1-c1nn[n-]n1 ZINC000737720172 599192878 /nfs/dbraw/zinc/19/28/78/599192878.db2.gz ZCCFEEIQMKOSSJ-UHFFFAOYSA-N -1 3 393.338 2.086 20 30 GEEDHM N#Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1-c1nnn[n-]1 ZINC000737717062 599196154 /nfs/dbraw/zinc/19/61/54/599196154.db2.gz YDSMLARRSXPZJM-UHFFFAOYSA-N -1 3 383.755 2.481 20 30 GEEDHM N#Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1-c1nn[n-]n1 ZINC000737717062 599196155 /nfs/dbraw/zinc/19/61/55/599196155.db2.gz YDSMLARRSXPZJM-UHFFFAOYSA-N -1 3 383.755 2.481 20 30 GEEDHM N#Cc1cc(NC(=O)c2cnnn2-c2ccccc2Cl)ccc1-c1nnn[n-]1 ZINC000737710321 599196545 /nfs/dbraw/zinc/19/65/45/599196545.db2.gz TZPTZZKIVVVULA-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM N#Cc1cc(NC(=O)c2cnnn2-c2ccccc2Cl)ccc1-c1nn[n-]n1 ZINC000737710321 599196547 /nfs/dbraw/zinc/19/65/47/599196547.db2.gz TZPTZZKIVVVULA-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM C=CCNc1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000819750243 607263467 /nfs/dbraw/zinc/26/34/67/607263467.db2.gz BAKYMAISMQRDLA-JTQLQIEISA-N -1 3 399.436 2.105 20 30 GEEDHM C=CCNc1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000819750243 607263468 /nfs/dbraw/zinc/26/34/68/607263468.db2.gz BAKYMAISMQRDLA-JTQLQIEISA-N -1 3 399.436 2.105 20 30 GEEDHM N#Cc1cnccc1NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737728160 599250353 /nfs/dbraw/zinc/25/03/53/599250353.db2.gz IFUGZDUNKVAUFQ-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM N#Cc1cnccc1NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000737728160 599250355 /nfs/dbraw/zinc/25/03/55/599250355.db2.gz IFUGZDUNKVAUFQ-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccncc2-c2nnn[n-]2)c1 ZINC000737727336 599255797 /nfs/dbraw/zinc/25/57/97/599255797.db2.gz JHVCUNURKAOZMY-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccncc2-c2nn[n-]n2)c1 ZINC000737727336 599255799 /nfs/dbraw/zinc/25/57/99/599255799.db2.gz JHVCUNURKAOZMY-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM N#Cc1cnc2ccccc2c1N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737728179 599265650 /nfs/dbraw/zinc/26/56/50/599265650.db2.gz IYZYXPCSFTZTLQ-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cnc2ccccc2c1N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737728179 599265652 /nfs/dbraw/zinc/26/56/52/599265652.db2.gz IYZYXPCSFTZTLQ-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737727786 598237239 /nfs/dbraw/zinc/23/72/39/598237239.db2.gz ALCUKEIDMZYOTF-UHFFFAOYSA-N -1 3 380.387 2.069 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737727786 598237241 /nfs/dbraw/zinc/23/72/41/598237241.db2.gz ALCUKEIDMZYOTF-UHFFFAOYSA-N -1 3 380.387 2.069 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cccc(CO)c1 ZINC000735418217 598271712 /nfs/dbraw/zinc/27/17/12/598271712.db2.gz DRGMCTRTPGTBNC-UHFFFAOYSA-N -1 3 378.436 2.257 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cccc(CO)c1 ZINC000735418217 598271714 /nfs/dbraw/zinc/27/17/14/598271714.db2.gz DRGMCTRTPGTBNC-UHFFFAOYSA-N -1 3 378.436 2.257 20 30 GEEDHM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)c(C)c1 ZINC000737355607 598273113 /nfs/dbraw/zinc/27/31/13/598273113.db2.gz JHUXZAPSZCDSDW-LLVKDONJSA-N -1 3 394.464 2.452 20 30 GEEDHM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)c(C)c1 ZINC000737355607 598273115 /nfs/dbraw/zinc/27/31/15/598273115.db2.gz JHUXZAPSZCDSDW-LLVKDONJSA-N -1 3 394.464 2.452 20 30 GEEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737548942 598303071 /nfs/dbraw/zinc/30/30/71/598303071.db2.gz RNRKBLJDENGAPW-UHFFFAOYSA-N -1 3 391.366 2.500 20 30 GEEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737548942 598303073 /nfs/dbraw/zinc/30/30/73/598303073.db2.gz RNRKBLJDENGAPW-UHFFFAOYSA-N -1 3 391.366 2.500 20 30 GEEDHM C=CCCO[C@H](C)C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000735416206 598307661 /nfs/dbraw/zinc/30/76/61/598307661.db2.gz FHCWZWVXMVNKPZ-CYBMUJFWSA-N -1 3 383.408 2.318 20 30 GEEDHM C=CCCO[C@H](C)C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000735416206 598307662 /nfs/dbraw/zinc/30/76/62/598307662.db2.gz FHCWZWVXMVNKPZ-CYBMUJFWSA-N -1 3 383.408 2.318 20 30 GEEDHM N#Cc1ccc(CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000619677014 598311797 /nfs/dbraw/zinc/31/17/97/598311797.db2.gz AHFFYHIIXPBKNK-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1ccc(CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000619677014 598311798 /nfs/dbraw/zinc/31/17/98/598311798.db2.gz AHFFYHIIXPBKNK-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000737722739 598312074 /nfs/dbraw/zinc/31/20/74/598312074.db2.gz LSFCRKOACIDZJL-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000737722739 598312075 /nfs/dbraw/zinc/31/20/75/598312075.db2.gz LSFCRKOACIDZJL-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM C#CCN(C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C1CCCCC1 ZINC000735374907 598435670 /nfs/dbraw/zinc/43/56/70/598435670.db2.gz PGLTZZPWGQFSNQ-UHFFFAOYSA-N -1 3 390.451 2.043 20 30 GEEDHM C#CCN(C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C1CCCCC1 ZINC000735374907 598435672 /nfs/dbraw/zinc/43/56/72/598435672.db2.gz PGLTZZPWGQFSNQ-UHFFFAOYSA-N -1 3 390.451 2.043 20 30 GEEDHM N#Cc1cc2c(nc1NC1CCN(c3ccc(-c4nnn[n-]4)cn3)CC1)CCC2 ZINC000737709808 598459489 /nfs/dbraw/zinc/45/94/89/598459489.db2.gz NVLBKVGGFBMLRY-UHFFFAOYSA-N -1 3 387.451 2.098 20 30 GEEDHM N#Cc1cc2c(nc1NC1CCN(c3ccc(-c4nn[n-]n4)cn3)CC1)CCC2 ZINC000737709808 598459491 /nfs/dbraw/zinc/45/94/91/598459491.db2.gz NVLBKVGGFBMLRY-UHFFFAOYSA-N -1 3 387.451 2.098 20 30 GEEDHM C[C@@H](ON=C(N)c1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736165206 598471303 /nfs/dbraw/zinc/47/13/03/598471303.db2.gz SXDSYFFDTKJPCB-SNVBAGLBSA-N -1 3 385.815 2.184 20 30 GEEDHM C[C@@H](ON=C(N)c1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736165206 598471304 /nfs/dbraw/zinc/47/13/04/598471304.db2.gz SXDSYFFDTKJPCB-SNVBAGLBSA-N -1 3 385.815 2.184 20 30 GEEDHM C#CCOc1cccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735380288 598494420 /nfs/dbraw/zinc/49/44/20/598494420.db2.gz INHCGOUEROUSLO-LJQANCHMSA-N -1 3 388.431 2.486 20 30 GEEDHM CN1CCN(N=Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000736864576 598546319 /nfs/dbraw/zinc/54/63/19/598546319.db2.gz SGRHVBAHVZXXMY-UHFFFAOYSA-N -1 3 377.452 2.027 20 30 GEEDHM COC[C@@](C)(C#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821680229 607358848 /nfs/dbraw/zinc/35/88/48/607358848.db2.gz CVPCOIRUVIRYJE-HXUWFJFHSA-N -1 3 392.419 2.104 20 30 GEEDHM C=CCOc1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000823932008 607361645 /nfs/dbraw/zinc/36/16/45/607361645.db2.gz KIFLFBGFHMXTLM-UHFFFAOYSA-N -1 3 394.387 2.480 20 30 GEEDHM C=CCOc1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000823932008 607361647 /nfs/dbraw/zinc/36/16/47/607361647.db2.gz KIFLFBGFHMXTLM-UHFFFAOYSA-N -1 3 394.387 2.480 20 30 GEEDHM N#CC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CCOCC1 ZINC000737675516 598582104 /nfs/dbraw/zinc/58/21/04/598582104.db2.gz PJNRWSXHJBGRTI-UHFFFAOYSA-N -1 3 391.391 2.313 20 30 GEEDHM Cc1cc(C(=O)Nc2cnn(CC#N)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737237609 598611888 /nfs/dbraw/zinc/61/18/88/598611888.db2.gz AQJSNZVBIANTES-UHFFFAOYSA-N -1 3 387.407 2.247 20 30 GEEDHM CNC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000736876676 598639105 /nfs/dbraw/zinc/63/91/05/598639105.db2.gz BFZSKAUMTUUUBY-JXMROGBWSA-N -1 3 376.420 2.179 20 30 GEEDHM CNC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736876676 598639107 /nfs/dbraw/zinc/63/91/07/598639107.db2.gz BFZSKAUMTUUUBY-JXMROGBWSA-N -1 3 376.420 2.179 20 30 GEEDHM Cc1nn(C)c2ncc(C=CC(=O)c3c(C)n4c(c3-c3nnn[n-]3)CCC4)cc12 ZINC000737509564 598639582 /nfs/dbraw/zinc/63/95/82/598639582.db2.gz CCMAVVHSZPZFQX-SREVYHEPSA-N -1 3 388.435 2.409 20 30 GEEDHM Cc1nn(C)c2ncc(C=CC(=O)c3c(C)n4c(c3-c3nn[n-]n3)CCC4)cc12 ZINC000737509564 598639584 /nfs/dbraw/zinc/63/95/84/598639584.db2.gz CCMAVVHSZPZFQX-SREVYHEPSA-N -1 3 388.435 2.409 20 30 GEEDHM NC(=NOCc1ccc(F)cc1-c1nnn[n-]1)c1cccnc1N1CCCCC1 ZINC000737729919 598676274 /nfs/dbraw/zinc/67/62/74/598676274.db2.gz GNJHZFPXKZYPSJ-UHFFFAOYSA-N -1 3 396.430 2.228 20 30 GEEDHM NC(=NOCc1ccc(F)cc1-c1nn[n-]n1)c1cccnc1N1CCCCC1 ZINC000737729919 598676277 /nfs/dbraw/zinc/67/62/77/598676277.db2.gz GNJHZFPXKZYPSJ-UHFFFAOYSA-N -1 3 396.430 2.228 20 30 GEEDHM N#CCSc1ccccc1C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737697637 598738890 /nfs/dbraw/zinc/73/88/90/598738890.db2.gz JYKGXKWVWSIPMI-UHFFFAOYSA-N -1 3 381.421 2.146 20 30 GEEDHM N#CCSc1ccccc1C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737697637 598738891 /nfs/dbraw/zinc/73/88/91/598738891.db2.gz JYKGXKWVWSIPMI-UHFFFAOYSA-N -1 3 381.421 2.146 20 30 GEEDHM C#Cc1ccc(C(=O)OCc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)nc1 ZINC000735390094 598780241 /nfs/dbraw/zinc/78/02/41/598780241.db2.gz OGLPUMFKHXGXLS-UHFFFAOYSA-N -1 3 385.387 2.094 20 30 GEEDHM C[C@](C#N)(NC(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000735502683 599332179 /nfs/dbraw/zinc/33/21/79/599332179.db2.gz CKQYXTDYVPVALA-OAHLLOKOSA-N -1 3 379.346 2.106 20 30 GEEDHM C[C@](C#N)(NC(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000735502683 599332181 /nfs/dbraw/zinc/33/21/81/599332181.db2.gz CKQYXTDYVPVALA-OAHLLOKOSA-N -1 3 379.346 2.106 20 30 GEEDHM CC(Cn1nc(C)cc1C)=NOCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820308766 599384019 /nfs/dbraw/zinc/38/40/19/599384019.db2.gz XWQFYGIACBZDRC-UHFFFAOYSA-N -1 3 393.411 2.323 20 30 GEEDHM CC(Cn1nc(C)cc1C)=NOCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820308766 599384021 /nfs/dbraw/zinc/38/40/21/599384021.db2.gz XWQFYGIACBZDRC-UHFFFAOYSA-N -1 3 393.411 2.323 20 30 GEEDHM Cc1ccc(NC(=S)NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000737361126 599456170 /nfs/dbraw/zinc/45/61/70/599456170.db2.gz SZMIMZOAQKCGMB-UHFFFAOYSA-N -1 3 377.437 2.143 20 30 GEEDHM Cc1ccc(NC(=S)NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737361126 599456173 /nfs/dbraw/zinc/45/61/73/599456173.db2.gz SZMIMZOAQKCGMB-UHFFFAOYSA-N -1 3 377.437 2.143 20 30 GEEDHM C=C(Cl)CNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735402203 599508149 /nfs/dbraw/zinc/50/81/49/599508149.db2.gz LYMHLWZXXQDZLR-UHFFFAOYSA-N -1 3 398.810 2.466 20 30 GEEDHM C=C(Cl)CNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735402203 599508152 /nfs/dbraw/zinc/50/81/52/599508152.db2.gz LYMHLWZXXQDZLR-UHFFFAOYSA-N -1 3 398.810 2.466 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826257258 607383551 /nfs/dbraw/zinc/38/35/51/607383551.db2.gz VGPKVRAIIYFUJY-GFCCVEGCSA-N -1 3 376.376 2.231 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826257258 607383552 /nfs/dbraw/zinc/38/35/52/607383552.db2.gz VGPKVRAIIYFUJY-GFCCVEGCSA-N -1 3 376.376 2.231 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000826251440 607386228 /nfs/dbraw/zinc/38/62/28/607386228.db2.gz PVOSHPVPGQDXOU-CYBMUJFWSA-N -1 3 382.424 2.063 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000826251440 607386229 /nfs/dbraw/zinc/38/62/29/607386229.db2.gz PVOSHPVPGQDXOU-CYBMUJFWSA-N -1 3 382.424 2.063 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC(=O)OC(C)(C)C ZINC000819743889 599675366 /nfs/dbraw/zinc/67/53/66/599675366.db2.gz SCUUQFKROAISEE-UHFFFAOYSA-N -1 3 386.456 2.296 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC(=O)OC(C)(C)C ZINC000819743889 599675367 /nfs/dbraw/zinc/67/53/67/599675367.db2.gz SCUUQFKROAISEE-UHFFFAOYSA-N -1 3 386.456 2.296 20 30 GEEDHM N#C[C@H](C(=O)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1nc2ccccc2c(=O)[nH]1 ZINC000739074784 599711911 /nfs/dbraw/zinc/71/19/11/599711911.db2.gz LRHMQCCYFIYUHB-WNOSKKOXSA-N -1 3 394.431 2.229 20 30 GEEDHM N#CCC[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826381361 607398487 /nfs/dbraw/zinc/39/84/87/607398487.db2.gz IPIZMLHXLUGBDM-INIZCTEOSA-N -1 3 393.382 2.106 20 30 GEEDHM N#CCC[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826381361 607398489 /nfs/dbraw/zinc/39/84/89/607398489.db2.gz IPIZMLHXLUGBDM-INIZCTEOSA-N -1 3 393.382 2.106 20 30 GEEDHM C=C(C)COc1c(I)cc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000823877829 607862747 /nfs/dbraw/zinc/86/27/47/607862747.db2.gz HDCUWDMDPXHKFA-UHFFFAOYSA-N -1 3 387.137 2.334 20 30 GEEDHM C=C(C)COc1c(I)cc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823877829 607862748 /nfs/dbraw/zinc/86/27/48/607862748.db2.gz HDCUWDMDPXHKFA-UHFFFAOYSA-N -1 3 387.137 2.334 20 30 GEEDHM C#CCN1CCC(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)CC1 ZINC000736080782 600486360 /nfs/dbraw/zinc/48/63/60/600486360.db2.gz XRWVKNWCJLVLIN-IBGZPJMESA-N -1 3 397.475 2.050 20 30 GEEDHM COc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821877113 607463039 /nfs/dbraw/zinc/46/30/39/607463039.db2.gz BNAUIWOUYKBLOT-UHFFFAOYSA-N -1 3 396.411 2.444 20 30 GEEDHM COc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821877113 607463041 /nfs/dbraw/zinc/46/30/41/607463041.db2.gz BNAUIWOUYKBLOT-UHFFFAOYSA-N -1 3 396.411 2.444 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2noc(C3CCCCC3)n2)nc1N ZINC000822818971 607463770 /nfs/dbraw/zinc/46/37/70/607463770.db2.gz JKYFJIWGNGPXAY-UHFFFAOYSA-N -1 3 383.441 2.439 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2noc(C3CCCCC3)n2)nc1N ZINC000822818971 607463772 /nfs/dbraw/zinc/46/37/72/607463772.db2.gz JKYFJIWGNGPXAY-UHFFFAOYSA-N -1 3 383.441 2.439 20 30 GEEDHM CN(CCN1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000830781331 601315124 /nfs/dbraw/zinc/31/51/24/601315124.db2.gz XCGMKZMWHFSJQE-JOCHJYFZSA-N -1 3 392.503 2.434 20 30 GEEDHM CN(CCN1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000830781332 601315319 /nfs/dbraw/zinc/31/53/19/601315319.db2.gz XCGMKZMWHFSJQE-QFIPXVFZSA-N -1 3 392.503 2.434 20 30 GEEDHM Cc1cccc(S(=O)(=O)N(CCC#N)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826301093 607535555 /nfs/dbraw/zinc/53/55/55/607535555.db2.gz QQVHVFYCRTXWKY-UHFFFAOYSA-N -1 3 386.412 2.423 20 30 GEEDHM Cc1cccc(S(=O)(=O)N(CCC#N)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826301093 607535557 /nfs/dbraw/zinc/53/55/57/607535557.db2.gz QQVHVFYCRTXWKY-UHFFFAOYSA-N -1 3 386.412 2.423 20 30 GEEDHM Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826256994 607603494 /nfs/dbraw/zinc/60/34/94/607603494.db2.gz JLYXWPSJIRFKTK-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM COCCN(CC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1)C(=O)[O-] ZINC000739814602 603170254 /nfs/dbraw/zinc/17/02/54/603170254.db2.gz UWDMUQMICUJHKM-CQSZACIVSA-N -1 3 384.417 2.484 20 30 GEEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000825626051 607618293 /nfs/dbraw/zinc/61/82/93/607618293.db2.gz GNXFMPIDYRKTKM-UHFFFAOYSA-N -1 3 393.407 2.467 20 30 GEEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000825626051 607618294 /nfs/dbraw/zinc/61/82/94/607618294.db2.gz GNXFMPIDYRKTKM-UHFFFAOYSA-N -1 3 393.407 2.467 20 30 GEEDHM COCCCN=c1scc(C)n1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000826156018 607633809 /nfs/dbraw/zinc/63/38/09/607633809.db2.gz MLUMQKFVSCNCGY-UHFFFAOYSA-N -1 3 396.480 2.339 20 30 GEEDHM COCCCN=c1scc(C)n1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000826156018 607633810 /nfs/dbraw/zinc/63/38/10/607633810.db2.gz MLUMQKFVSCNCGY-UHFFFAOYSA-N -1 3 396.480 2.339 20 30 GEEDHM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000825893701 603705697 /nfs/dbraw/zinc/70/56/97/603705697.db2.gz AYXFTHYTAFNZNM-RDTXWAMCSA-N -1 3 379.482 2.138 20 30 GEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000826383646 607675565 /nfs/dbraw/zinc/67/55/65/607675565.db2.gz KCVSDXQOVLOQHD-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000826383646 607675567 /nfs/dbraw/zinc/67/55/67/607675567.db2.gz KCVSDXQOVLOQHD-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820254139 606148753 /nfs/dbraw/zinc/14/87/53/606148753.db2.gz NANJFUPVWVTSLF-NSHDSACASA-N -1 3 385.428 2.180 20 30 GEEDHM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820254139 606148755 /nfs/dbraw/zinc/14/87/55/606148755.db2.gz NANJFUPVWVTSLF-NSHDSACASA-N -1 3 385.428 2.180 20 30 GEEDHM COC(=O)c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[nH]1 ZINC000821668869 606166255 /nfs/dbraw/zinc/16/62/55/606166255.db2.gz NDYMEWXFSHPYRA-UHFFFAOYSA-N -1 3 379.302 2.446 20 30 GEEDHM COC(=O)c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[nH]1 ZINC000821668869 606166256 /nfs/dbraw/zinc/16/62/56/606166256.db2.gz NDYMEWXFSHPYRA-UHFFFAOYSA-N -1 3 379.302 2.446 20 30 GEEDHM Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN(C)CCC#N)c1-c1nnn[n-]1 ZINC000822015481 606198254 /nfs/dbraw/zinc/19/82/54/606198254.db2.gz KMIYQKBQRZVTEV-UHFFFAOYSA-N -1 3 396.430 2.197 20 30 GEEDHM Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN(C)CCC#N)c1-c1nn[n-]n1 ZINC000822015481 606198255 /nfs/dbraw/zinc/19/82/55/606198255.db2.gz KMIYQKBQRZVTEV-UHFFFAOYSA-N -1 3 396.430 2.197 20 30 GEEDHM COc1ccc(CC2N=NC(=S)N2N=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821825147 606204027 /nfs/dbraw/zinc/20/40/27/606204027.db2.gz SVPNKIINZZPSHB-UHFFFAOYSA-N -1 3 398.477 2.290 20 30 GEEDHM COc1ccc(CC2N=NC(=S)N2N=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821825147 606204028 /nfs/dbraw/zinc/20/40/28/606204028.db2.gz SVPNKIINZZPSHB-UHFFFAOYSA-N -1 3 398.477 2.290 20 30 GEEDHM N#Cc1cc(NCc2cc(-c3nnn[n-]3)cs2)ccc1N1CCC(O)CC1 ZINC000822822899 606223960 /nfs/dbraw/zinc/22/39/60/606223960.db2.gz HHWFWZOSXOVVSB-UHFFFAOYSA-N -1 3 381.465 2.373 20 30 GEEDHM N#Cc1cc(NCc2cc(-c3nn[n-]n3)cs2)ccc1N1CCC(O)CC1 ZINC000822822899 606223962 /nfs/dbraw/zinc/22/39/62/606223962.db2.gz HHWFWZOSXOVVSB-UHFFFAOYSA-N -1 3 381.465 2.373 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819745582 606234005 /nfs/dbraw/zinc/23/40/05/606234005.db2.gz KVHDEOMLGNEINF-NSHDSACASA-N -1 3 386.437 2.016 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819745582 606234007 /nfs/dbraw/zinc/23/40/07/606234007.db2.gz KVHDEOMLGNEINF-NSHDSACASA-N -1 3 386.437 2.016 20 30 GEEDHM N#C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000822806474 606271586 /nfs/dbraw/zinc/27/15/86/606271586.db2.gz NUFQAZQLLLRDIW-CQSZACIVSA-N -1 3 392.444 2.382 20 30 GEEDHM N#C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000822806474 606271588 /nfs/dbraw/zinc/27/15/88/606271588.db2.gz NUFQAZQLLLRDIW-CQSZACIVSA-N -1 3 392.444 2.382 20 30 GEEDHM CS(=O)(=O)Nc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821936541 606305578 /nfs/dbraw/zinc/30/55/78/606305578.db2.gz BMTIQGTZZQOURB-VOTSOKGWSA-N -1 3 375.435 2.196 20 30 GEEDHM CS(=O)(=O)Nc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821936541 606305579 /nfs/dbraw/zinc/30/55/79/606305579.db2.gz BMTIQGTZZQOURB-VOTSOKGWSA-N -1 3 375.435 2.196 20 30 GEEDHM COC(=O)[C@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000821646542 606367861 /nfs/dbraw/zinc/36/78/61/606367861.db2.gz JXMOURISZXGRGP-HJCTWCACSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000821646542 606367862 /nfs/dbraw/zinc/36/78/62/606367862.db2.gz JXMOURISZXGRGP-HJCTWCACSA-N -1 3 389.371 2.209 20 30 GEEDHM Cn1cc(-c2csc(=NC3CC3)n2N=Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC000822604778 606400072 /nfs/dbraw/zinc/40/00/72/606400072.db2.gz KHCQXVIPQNVVJV-UHFFFAOYSA-N -1 3 397.493 2.137 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822801915 606432675 /nfs/dbraw/zinc/43/26/75/606432675.db2.gz QVYYDKAPUIKSAD-QZTJIDSGSA-N -1 3 394.460 2.327 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822801915 606432676 /nfs/dbraw/zinc/43/26/76/606432676.db2.gz QVYYDKAPUIKSAD-QZTJIDSGSA-N -1 3 394.460 2.327 20 30 GEEDHM C=CCN(C)S(=O)(=O)c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819740263 606448063 /nfs/dbraw/zinc/44/80/63/606448063.db2.gz WRRHJXDEZYTNNY-UHFFFAOYSA-N -1 3 384.465 2.285 20 30 GEEDHM C=CCN(C)S(=O)(=O)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819740263 606448065 /nfs/dbraw/zinc/44/80/65/606448065.db2.gz WRRHJXDEZYTNNY-UHFFFAOYSA-N -1 3 384.465 2.285 20 30 GEEDHM N#Cc1ccccc1N1CCC(NC(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000822842437 606572689 /nfs/dbraw/zinc/57/26/89/606572689.db2.gz IIPDNFOFTAXBQC-UHFFFAOYSA-N -1 3 379.449 2.199 20 30 GEEDHM N#Cc1ccccc1N1CCC(NC(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000822842437 606572690 /nfs/dbraw/zinc/57/26/90/606572690.db2.gz IIPDNFOFTAXBQC-UHFFFAOYSA-N -1 3 379.449 2.199 20 30 GEEDHM C=CCNC(=O)c1ccccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819751127 606667334 /nfs/dbraw/zinc/66/73/34/606667334.db2.gz QTQFPEUPAQYGDL-UHFFFAOYSA-N -1 3 384.346 2.313 20 30 GEEDHM C=CCNC(=O)c1ccccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819751127 606667335 /nfs/dbraw/zinc/66/73/35/606667335.db2.gz QTQFPEUPAQYGDL-UHFFFAOYSA-N -1 3 384.346 2.313 20 30 GEEDHM N#Cc1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)ccc1F ZINC000822823589 606793508 /nfs/dbraw/zinc/79/35/08/606793508.db2.gz SWBDSOBOQPRHMT-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)ccc1F ZINC000822823589 606793510 /nfs/dbraw/zinc/79/35/10/606793510.db2.gz SWBDSOBOQPRHMT-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819730406 606837684 /nfs/dbraw/zinc/83/76/84/606837684.db2.gz YTFASSWDSVHYEH-LLVKDONJSA-N -1 3 396.382 2.427 20 30 GEEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819730406 606837685 /nfs/dbraw/zinc/83/76/85/606837685.db2.gz YTFASSWDSVHYEH-LLVKDONJSA-N -1 3 396.382 2.427 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)n2ncc(C#N)c2N)cc1 ZINC000822144156 606850605 /nfs/dbraw/zinc/85/06/05/606850605.db2.gz KNOSFSYCKYBCRC-UHFFFAOYSA-N -1 3 386.375 2.306 20 30 GEEDHM N#Cc1cnn2c1[nH]c(CSc1ccc(-c3nnn[n-]3)cc1Cl)cc2=O ZINC000822842635 606852214 /nfs/dbraw/zinc/85/22/14/606852214.db2.gz RHTKZDXXWNNKSA-UHFFFAOYSA-N -1 3 384.812 2.432 20 30 GEEDHM N#Cc1cnn2c1[nH]c(CSc1ccc(-c3nn[n-]n3)cc1Cl)cc2=O ZINC000822842635 606852215 /nfs/dbraw/zinc/85/22/15/606852215.db2.gz RHTKZDXXWNNKSA-UHFFFAOYSA-N -1 3 384.812 2.432 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1c(C)ccn(C)c1=O ZINC000819745627 606956051 /nfs/dbraw/zinc/95/60/51/606956051.db2.gz MRHFWHJMXYSUME-UHFFFAOYSA-N -1 3 379.424 2.094 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1c(C)ccn(C)c1=O ZINC000819745627 606956053 /nfs/dbraw/zinc/95/60/53/606956053.db2.gz MRHFWHJMXYSUME-UHFFFAOYSA-N -1 3 379.424 2.094 20 30 GEEDHM N#Cc1cc(CN2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)ccc1F ZINC000822819252 606960552 /nfs/dbraw/zinc/96/05/52/606960552.db2.gz NNPMCNLWLHUYBP-UHFFFAOYSA-N -1 3 395.417 2.334 20 30 GEEDHM N#Cc1cc(CN2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)ccc1F ZINC000822819252 606960553 /nfs/dbraw/zinc/96/05/53/606960553.db2.gz NNPMCNLWLHUYBP-UHFFFAOYSA-N -1 3 395.417 2.334 20 30 GEEDHM C(=NOCc1cn2ccccc2c1-c1nnn[n-]1)c1cnn(-c2ccccc2)n1 ZINC000819718982 606981631 /nfs/dbraw/zinc/98/16/31/606981631.db2.gz WEJACUOQEAXZMM-UHFFFAOYSA-N -1 3 385.391 2.251 20 30 GEEDHM C(=NOCc1cn2ccccc2c1-c1nn[n-]n1)c1cnn(-c2ccccc2)n1 ZINC000819718982 606981632 /nfs/dbraw/zinc/98/16/32/606981632.db2.gz WEJACUOQEAXZMM-UHFFFAOYSA-N -1 3 385.391 2.251 20 30 GEEDHM CN=c1scc(-c2oc(C)nc2C)n1N=Cc1cccc(-c2nnn[n-]2)c1 ZINC000821630434 606989318 /nfs/dbraw/zinc/98/93/18/606989318.db2.gz XUKPLBVGKQMECB-UHFFFAOYSA-N -1 3 380.437 2.414 20 30 GEEDHM CN=c1scc(-c2oc(C)nc2C)n1N=Cc1cccc(-c2nn[n-]n2)c1 ZINC000821630434 606989320 /nfs/dbraw/zinc/98/93/20/606989320.db2.gz XUKPLBVGKQMECB-UHFFFAOYSA-N -1 3 380.437 2.414 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c2c(nn1C)CCCC2 ZINC000819745649 607010165 /nfs/dbraw/zinc/01/01/65/607010165.db2.gz NSVSNIFXSOEJAK-UHFFFAOYSA-N -1 3 377.452 2.307 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c2c(nn1C)CCCC2 ZINC000819745649 607010167 /nfs/dbraw/zinc/01/01/67/607010167.db2.gz NSVSNIFXSOEJAK-UHFFFAOYSA-N -1 3 377.452 2.307 20 30 GEEDHM C[C@@H](Nc1ccc(F)cc1OCC#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820455700 607145401 /nfs/dbraw/zinc/14/54/01/607145401.db2.gz LXEOMBUJTLNXJX-LLVKDONJSA-N -1 3 381.371 2.347 20 30 GEEDHM C[C@@H](Nc1ccc(F)cc1OCC#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820455700 607145402 /nfs/dbraw/zinc/14/54/02/607145402.db2.gz LXEOMBUJTLNXJX-LLVKDONJSA-N -1 3 381.371 2.347 20 30 GEEDHM C=CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccncc1 ZINC000819733795 607183104 /nfs/dbraw/zinc/18/31/04/607183104.db2.gz BHWGLIMQDZLTKW-CQSZACIVSA-N -1 3 397.826 2.287 20 30 GEEDHM C=CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccncc1 ZINC000819733795 607183105 /nfs/dbraw/zinc/18/31/05/607183105.db2.gz BHWGLIMQDZLTKW-CQSZACIVSA-N -1 3 397.826 2.287 20 30 GEEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823888569 607773465 /nfs/dbraw/zinc/77/34/65/607773465.db2.gz QOYYCNILLVMSBI-JTQLQIEISA-N -1 3 383.437 2.010 20 30 GEEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823888569 607773466 /nfs/dbraw/zinc/77/34/66/607773466.db2.gz QOYYCNILLVMSBI-JTQLQIEISA-N -1 3 383.437 2.010 20 30 GEEDHM C=CCc1cc([N+](=O)[O-])ccc1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823937215 607872331 /nfs/dbraw/zinc/87/23/31/607872331.db2.gz MQQTWUQKPAGWLY-MRXNPFEDSA-N -1 3 397.391 2.322 20 30 GEEDHM COc1ccc(CON=Cc2cnn(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000826206565 607973622 /nfs/dbraw/zinc/97/36/22/607973622.db2.gz AORYHYSBQQYFRM-UHFFFAOYSA-N -1 3 376.380 2.007 20 30 GEEDHM COc1ccc(CON=Cc2cnn(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000826206565 607973623 /nfs/dbraw/zinc/97/36/23/607973623.db2.gz AORYHYSBQQYFRM-UHFFFAOYSA-N -1 3 376.380 2.007 20 30 GEEDHM COc1ccc(CSCC(=O)NCc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000826207521 607983562 /nfs/dbraw/zinc/98/35/62/607983562.db2.gz RJXZDALYZHERLG-UHFFFAOYSA-N -1 3 394.460 2.297 20 30 GEEDHM COc1ccc(CSCC(=O)NCc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000826207521 607983563 /nfs/dbraw/zinc/98/35/63/607983563.db2.gz RJXZDALYZHERLG-UHFFFAOYSA-N -1 3 394.460 2.297 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000826386788 608089750 /nfs/dbraw/zinc/08/97/50/608089750.db2.gz SRFZHLFQPMUARL-SGQUHAKNSA-N -1 3 386.415 2.352 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC000826386788 608089751 /nfs/dbraw/zinc/08/97/51/608089751.db2.gz SRFZHLFQPMUARL-SGQUHAKNSA-N -1 3 386.415 2.352 20 30 GEEDHM COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826162730 608138386 /nfs/dbraw/zinc/13/83/86/608138386.db2.gz PVWFKSWUSLLDNH-UHFFFAOYSA-N -1 3 378.392 2.324 20 30 GEEDHM COCCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826162730 608138387 /nfs/dbraw/zinc/13/83/87/608138387.db2.gz PVWFKSWUSLLDNH-UHFFFAOYSA-N -1 3 378.392 2.324 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](O)CCc1ccccc1 ZINC000823909343 608196673 /nfs/dbraw/zinc/19/66/73/608196673.db2.gz ABWQVAOLVAGFHN-LJQANCHMSA-N -1 3 377.448 2.375 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](O)CCc1ccccc1 ZINC000823909343 608196675 /nfs/dbraw/zinc/19/66/75/608196675.db2.gz ABWQVAOLVAGFHN-LJQANCHMSA-N -1 3 377.448 2.375 20 30 GEEDHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000826414488 608218180 /nfs/dbraw/zinc/21/81/80/608218180.db2.gz YQTCKNDGNTWEED-UHFFFAOYSA-N -1 3 396.414 2.107 20 30 GEEDHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000826414488 608218183 /nfs/dbraw/zinc/21/81/83/608218183.db2.gz YQTCKNDGNTWEED-UHFFFAOYSA-N -1 3 396.414 2.107 20 30 GEEDHM N#Cc1ccc(CN2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)cc1 ZINC000826384880 608385642 /nfs/dbraw/zinc/38/56/42/608385642.db2.gz NFGPMZLYOWJBRX-UHFFFAOYSA-N -1 3 377.427 2.195 20 30 GEEDHM N#Cc1ccc(CN2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)cc1 ZINC000826384880 608385644 /nfs/dbraw/zinc/38/56/44/608385644.db2.gz NFGPMZLYOWJBRX-UHFFFAOYSA-N -1 3 377.427 2.195 20 30 GEEDHM N#Cc1ccc(C2=CCN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826384952 608464824 /nfs/dbraw/zinc/46/48/24/608464824.db2.gz RBBIBKJQVQPNAP-UHFFFAOYSA-N -1 3 399.458 2.144 20 30 GEEDHM N#Cc1ccc(C2=CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826385070 608480222 /nfs/dbraw/zinc/48/02/22/608480222.db2.gz VWETUVCZTSMTKH-UHFFFAOYSA-N -1 3 386.415 2.433 20 30 GEEDHM N#Cc1ccc(C2=CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826385070 608480223 /nfs/dbraw/zinc/48/02/23/608480223.db2.gz VWETUVCZTSMTKH-UHFFFAOYSA-N -1 3 386.415 2.433 20 30 GEEDHM CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000824305753 608493610 /nfs/dbraw/zinc/49/36/10/608493610.db2.gz UUUOUMVQZAGGTI-UHFFFAOYSA-N -1 3 375.392 2.129 20 30 GEEDHM CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000824305753 608493612 /nfs/dbraw/zinc/49/36/12/608493612.db2.gz UUUOUMVQZAGGTI-UHFFFAOYSA-N -1 3 375.392 2.129 20 30 GEEDHM N#CCC[C@@H](NCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826381727 608555570 /nfs/dbraw/zinc/55/55/70/608555570.db2.gz WRKIMVOPUWVFKH-GOSISDBHSA-N -1 3 396.476 2.275 20 30 GEEDHM C=CC[C@H](CO)CNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823887850 608560879 /nfs/dbraw/zinc/56/08/79/608560879.db2.gz ACFCLGYCMWCYEV-HNNXBMFYSA-N -1 3 393.447 2.360 20 30 GEEDHM C=CC[C@H](CO)CNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823887850 608560881 /nfs/dbraw/zinc/56/08/81/608560881.db2.gz ACFCLGYCMWCYEV-HNNXBMFYSA-N -1 3 393.447 2.360 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cc(NCc3ccccc3)ccn2)cc1-c1nnn[n-]1 ZINC000826385486 609188537 /nfs/dbraw/zinc/18/85/37/609188537.db2.gz OKBQBTGAZJLEOP-UHFFFAOYSA-N -1 3 396.414 2.420 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cc(NCc3ccccc3)ccn2)cc1-c1nn[n-]n1 ZINC000826385486 609188539 /nfs/dbraw/zinc/18/85/39/609188539.db2.gz OKBQBTGAZJLEOP-UHFFFAOYSA-N -1 3 396.414 2.420 20 30 GEEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000825314147 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C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000452032564 532771580 /nfs/dbraw/zinc/77/15/80/532771580.db2.gz WNTJDUPFDPEFHA-HIFRSBDPSA-N -1 3 389.901 2.361 20 30 GEEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000320150107 532786075 /nfs/dbraw/zinc/78/60/75/532786075.db2.gz AFQQFXNSNGCMKG-GFCCVEGCSA-N -1 3 378.288 2.453 20 30 GEEDHM C#CCSCC[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000271241362 532805582 /nfs/dbraw/zinc/80/55/82/532805582.db2.gz YVHWPTDYZCQRAK-UHFFFAOYSA-N -1 3 388.580 2.098 20 30 GEEDHM O=C(N[C@H]1CCCSC1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000330139559 532814746 /nfs/dbraw/zinc/81/47/46/532814746.db2.gz WJIKQQWDHAWIGO-ZDUSSCGKSA-N -1 3 389.568 2.300 20 30 GEEDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330289205 532817105 /nfs/dbraw/zinc/81/71/05/532817105.db2.gz BVVAHGVVGYBADY-STQMWFEESA-N -1 3 388.511 2.100 20 30 GEEDHM CC[C@@H](CC#N)NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000273849505 532835475 /nfs/dbraw/zinc/83/54/75/532835475.db2.gz JOTFZUUFRJNLBD-JSGCOSHPSA-N -1 3 387.502 2.034 20 30 GEEDHM CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000331290372 532837394 /nfs/dbraw/zinc/83/73/94/532837394.db2.gz BDPPVELDJXOXDS-NSHDSACASA-N -1 3 390.278 2.222 20 30 GEEDHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)s1 ZINC000290509414 532882536 /nfs/dbraw/zinc/88/25/36/532882536.db2.gz ANKAEBLWNMFGAV-KRWDZBQOSA-N -1 3 383.539 2.423 20 30 GEEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000819772310 607252508 /nfs/dbraw/zinc/25/25/08/607252508.db2.gz CAZMCISPFMTRFS-FQEVSTJZSA-N -1 3 391.479 2.233 20 30 GEEDHM C=CCCCCCN(C)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000735408057 598852153 /nfs/dbraw/zinc/85/21/53/598852153.db2.gz FGJJNPLIBGNFQI-FQEVSTJZSA-N -1 3 397.483 2.269 20 30 GEEDHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cn2)n1 ZINC000737255541 598913729 /nfs/dbraw/zinc/91/37/29/598913729.db2.gz GYQKFSVZNSEOTD-UHFFFAOYSA-N -1 3 385.391 2.188 20 30 GEEDHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cn2)n1 ZINC000737255541 598913731 /nfs/dbraw/zinc/91/37/31/598913731.db2.gz GYQKFSVZNSEOTD-UHFFFAOYSA-N -1 3 385.391 2.188 20 30 GEEDHM COc1cccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1OC ZINC000737132106 598915182 /nfs/dbraw/zinc/91/51/82/598915182.db2.gz VXMPKJMMYISHNF-UHFFFAOYSA-N -1 3 378.392 2.327 20 30 GEEDHM COc1cccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1OC ZINC000737132106 598915183 /nfs/dbraw/zinc/91/51/83/598915183.db2.gz VXMPKJMMYISHNF-UHFFFAOYSA-N -1 3 378.392 2.327 20 30 GEEDHM COc1cc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc(OC)c1 ZINC000737043776 598916505 /nfs/dbraw/zinc/91/65/05/598916505.db2.gz JKNQTVLFJOQZKH-UHFFFAOYSA-N -1 3 378.392 2.327 20 30 GEEDHM COc1cc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc(OC)c1 ZINC000737043776 598916506 /nfs/dbraw/zinc/91/65/06/598916506.db2.gz JKNQTVLFJOQZKH-UHFFFAOYSA-N -1 3 378.392 2.327 20 30 GEEDHM Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)CC2=O)cc1 ZINC000737350371 598917017 /nfs/dbraw/zinc/91/70/17/598917017.db2.gz FYWIKEUDYCKQPG-AWEZNQCLSA-N -1 3 387.403 2.038 20 30 GEEDHM Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)CC2=O)cc1 ZINC000737350371 598917018 /nfs/dbraw/zinc/91/70/18/598917018.db2.gz FYWIKEUDYCKQPG-AWEZNQCLSA-N -1 3 387.403 2.038 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1-c1nnn[n-]1 ZINC000737716633 598917648 /nfs/dbraw/zinc/91/76/48/598917648.db2.gz SYLIMESCPCRUEL-INIZCTEOSA-N -1 3 377.339 2.009 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1-c1nn[n-]n1 ZINC000737716633 598917649 /nfs/dbraw/zinc/91/76/49/598917649.db2.gz SYLIMESCPCRUEL-INIZCTEOSA-N -1 3 377.339 2.009 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cccnc2OCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000737718270 598917655 /nfs/dbraw/zinc/91/76/55/598917655.db2.gz GQUMAYYLLFZHQY-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cccnc2OCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000737718270 598917658 /nfs/dbraw/zinc/91/76/58/598917658.db2.gz GQUMAYYLLFZHQY-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM N#Cc1cc(NC(=O)c2cccn(Cc3ccccc3)c2=O)ccc1-c1nn[n-]n1 ZINC000737709195 598928508 /nfs/dbraw/zinc/92/85/08/598928508.db2.gz LGMOTTCIDRNRTL-UHFFFAOYSA-N -1 3 397.398 2.201 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735387605 598963503 /nfs/dbraw/zinc/96/35/03/598963503.db2.gz BEJSPBOTISKHRH-UHFFFAOYSA-N -1 3 376.420 2.220 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735387605 598963504 /nfs/dbraw/zinc/96/35/04/598963504.db2.gz BEJSPBOTISKHRH-UHFFFAOYSA-N -1 3 376.420 2.220 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCON=C(N)c1ccc(Cl)cc1 ZINC000737033562 598978036 /nfs/dbraw/zinc/97/80/36/598978036.db2.gz XEPHEMOCFKZAHM-UHFFFAOYSA-N -1 3 388.815 2.245 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@@H]1CCCN(c2ccccc2)C1=O ZINC000737703749 598978225 /nfs/dbraw/zinc/97/82/25/598978225.db2.gz BFOJLCSRQINOJR-CQSZACIVSA-N -1 3 392.448 2.003 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@@H]1CCCN(c2ccccc2)C1=O ZINC000737703749 598978228 /nfs/dbraw/zinc/97/82/28/598978228.db2.gz BFOJLCSRQINOJR-CQSZACIVSA-N -1 3 392.448 2.003 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735381697 599092863 /nfs/dbraw/zinc/09/28/63/599092863.db2.gz PHZZYUKDKBNKFR-GFCCVEGCSA-N -1 3 381.367 2.424 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735382105 599092955 /nfs/dbraw/zinc/09/29/55/599092955.db2.gz VGRRZFKVYCIKCW-LBPRGKRZSA-N -1 3 381.367 2.424 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735382105 599092957 /nfs/dbraw/zinc/09/29/57/599092957.db2.gz VGRRZFKVYCIKCW-LBPRGKRZSA-N -1 3 381.367 2.424 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCn1ccccc1=O ZINC000735418161 599193428 /nfs/dbraw/zinc/19/34/28/599193428.db2.gz CPHOXKJRDYETDQ-UHFFFAOYSA-N -1 3 378.436 2.023 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCn1ccccc1=O ZINC000735418161 599193430 /nfs/dbraw/zinc/19/34/30/599193430.db2.gz CPHOXKJRDYETDQ-UHFFFAOYSA-N -1 3 378.436 2.023 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)cc1-c1nnn[n-]1 ZINC000737716782 599196414 /nfs/dbraw/zinc/19/64/14/599196414.db2.gz UULGLDZGWZLCTA-OAHLLOKOSA-N -1 3 395.329 2.148 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)cc1-c1nn[n-]n1 ZINC000737716782 599196416 /nfs/dbraw/zinc/19/64/16/599196416.db2.gz UULGLDZGWZLCTA-OAHLLOKOSA-N -1 3 395.329 2.148 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cccc(OCC(F)(F)F)n2)cc1-c1nnn[n-]1 ZINC000737717744 599196551 /nfs/dbraw/zinc/19/65/51/599196551.db2.gz AMWXGQQNWMXUJR-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cccc(OCC(F)(F)F)n2)cc1-c1nn[n-]n1 ZINC000737717744 599196552 /nfs/dbraw/zinc/19/65/52/599196552.db2.gz AMWXGQQNWMXUJR-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM C=CCNC(=O)c1ccccc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000819751205 607262347 /nfs/dbraw/zinc/26/23/47/607262347.db2.gz SMRWKCUOQOKNGV-UHFFFAOYSA-N -1 3 383.799 2.083 20 30 GEEDHM C=CCNC(=O)c1ccccc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000819751205 607262348 /nfs/dbraw/zinc/26/23/48/607262348.db2.gz SMRWKCUOQOKNGV-UHFFFAOYSA-N -1 3 383.799 2.083 20 30 GEEDHM Cc1c(NC(=O)N2CCN(c3ccccc3C#N)CC2)cccc1-c1nnn[n-]1 ZINC000822084222 607282968 /nfs/dbraw/zinc/28/29/68/607282968.db2.gz HFGUZUJYAZTRET-UHFFFAOYSA-N -1 3 388.435 2.401 20 30 GEEDHM Cc1c(NC(=O)N2CCN(c3ccccc3C#N)CC2)cccc1-c1nn[n-]n1 ZINC000822084222 607282969 /nfs/dbraw/zinc/28/29/69/607282969.db2.gz HFGUZUJYAZTRET-UHFFFAOYSA-N -1 3 388.435 2.401 20 30 GEEDHM N#Cc1cccc(OCc2cccc(C(=O)Nc3ccncc3-c3nnn[n-]3)c2)c1 ZINC000737730512 599257829 /nfs/dbraw/zinc/25/78/29/599257829.db2.gz MOMYTGPUPOTZAZ-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM N#Cc1cccc(OCc2cccc(C(=O)Nc3ccncc3-c3nn[n-]n3)c2)c1 ZINC000737730512 599257830 /nfs/dbraw/zinc/25/78/30/599257830.db2.gz MOMYTGPUPOTZAZ-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM C=CCNc1ncc(C(=O)N(CCOC)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819750659 607323798 /nfs/dbraw/zinc/32/37/98/607323798.db2.gz IXDPNDJNZQYNPH-UHFFFAOYSA-N -1 3 399.480 2.210 20 30 GEEDHM C=CCNc1ncc(C(=O)N(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819750659 607323799 /nfs/dbraw/zinc/32/37/99/607323799.db2.gz IXDPNDJNZQYNPH-UHFFFAOYSA-N -1 3 399.480 2.210 20 30 GEEDHM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000819745518 607333843 /nfs/dbraw/zinc/33/38/43/607333843.db2.gz HHUGKTDQQMEVMW-UHFFFAOYSA-N -1 3 380.383 2.159 20 30 GEEDHM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819745518 607333844 /nfs/dbraw/zinc/33/38/44/607333844.db2.gz HHUGKTDQQMEVMW-UHFFFAOYSA-N -1 3 380.383 2.159 20 30 GEEDHM N#Cc1ccc(N2CCN(Cc3cc(-c4nnn[n-]4)ccc3F)CC2)c(F)c1 ZINC000737718669 598256904 /nfs/dbraw/zinc/25/69/04/598256904.db2.gz OMWZOSYASGETQS-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1ccc(N2CCN(Cc3cc(-c4nn[n-]n4)ccc3F)CC2)c(F)c1 ZINC000737718669 598256905 /nfs/dbraw/zinc/25/69/05/598256905.db2.gz OMWZOSYASGETQS-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM C#CCNC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000735382308 598273123 /nfs/dbraw/zinc/27/31/23/598273123.db2.gz XZUJWHNWKFLEOT-CYBMUJFWSA-N -1 3 392.419 2.217 20 30 GEEDHM C#CCNC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000735382308 598273126 /nfs/dbraw/zinc/27/31/26/598273126.db2.gz XZUJWHNWKFLEOT-CYBMUJFWSA-N -1 3 392.419 2.217 20 30 GEEDHM Cc1ccc(NC(=O)[C@H](C)Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1F ZINC000737355618 598274314 /nfs/dbraw/zinc/27/43/14/598274314.db2.gz JSLKKFNPZGWRDX-VIFPVBQESA-N -1 3 398.427 2.282 20 30 GEEDHM Cc1ccc(NC(=O)[C@H](C)Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1F ZINC000737355618 598274316 /nfs/dbraw/zinc/27/43/16/598274316.db2.gz JSLKKFNPZGWRDX-VIFPVBQESA-N -1 3 398.427 2.282 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)NCCc1ccccn1 ZINC000735421402 598294725 /nfs/dbraw/zinc/29/47/25/598294725.db2.gz YNMPWYDGPMDKGK-UHFFFAOYSA-N -1 3 379.493 2.367 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)NCCc1ccccn1 ZINC000735421402 598294727 /nfs/dbraw/zinc/29/47/27/598294727.db2.gz YNMPWYDGPMDKGK-UHFFFAOYSA-N -1 3 379.493 2.367 20 30 GEEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(C(N)=O)n(C)c1 ZINC000735450859 598313336 /nfs/dbraw/zinc/31/33/36/598313336.db2.gz GWGASVKNAXYWBO-UHFFFAOYSA-N -1 3 392.345 2.159 20 30 GEEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(C(N)=O)n(C)c1 ZINC000735450859 598313338 /nfs/dbraw/zinc/31/33/38/598313338.db2.gz GWGASVKNAXYWBO-UHFFFAOYSA-N -1 3 392.345 2.159 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)Nc1ccc(C(N)=O)cc1 ZINC000735421436 598323320 /nfs/dbraw/zinc/32/33/20/598323320.db2.gz ZRJPGVLKZLSAEV-UHFFFAOYSA-N -1 3 393.476 2.351 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)Nc1ccc(C(N)=O)cc1 ZINC000735421436 598323322 /nfs/dbraw/zinc/32/33/22/598323322.db2.gz ZRJPGVLKZLSAEV-UHFFFAOYSA-N -1 3 393.476 2.351 20 30 GEEDHM C#CCOc1cccc(COC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000735381287 598414034 /nfs/dbraw/zinc/41/40/34/598414034.db2.gz SJBSMBPBHZEHTK-CQSZACIVSA-N -1 3 378.388 2.389 20 30 GEEDHM C#CCOc1cccc(COC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000735381287 598414036 /nfs/dbraw/zinc/41/40/36/598414036.db2.gz SJBSMBPBHZEHTK-CQSZACIVSA-N -1 3 378.388 2.389 20 30 GEEDHM C#CCOc1cccc(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735387789 598421636 /nfs/dbraw/zinc/42/16/36/598421636.db2.gz FZLABIOJDUDYQN-LJQANCHMSA-N -1 3 389.415 2.453 20 30 GEEDHM N#Cc1ccc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c([N+](=O)[O-])c1 ZINC000737718429 598459241 /nfs/dbraw/zinc/45/92/41/598459241.db2.gz JEJSKDQOKVOFNU-UHFFFAOYSA-N -1 3 391.395 2.122 20 30 GEEDHM N#Cc1ccc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c([N+](=O)[O-])c1 ZINC000737718429 598459242 /nfs/dbraw/zinc/45/92/42/598459242.db2.gz JEJSKDQOKVOFNU-UHFFFAOYSA-N -1 3 391.395 2.122 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000735419911 598475609 /nfs/dbraw/zinc/47/56/09/598475609.db2.gz JVPQDCNQINKXTG-UHFFFAOYSA-N -1 3 391.435 2.494 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000735419911 598475610 /nfs/dbraw/zinc/47/56/10/598475610.db2.gz JVPQDCNQINKXTG-UHFFFAOYSA-N -1 3 391.435 2.494 20 30 GEEDHM N#Cc1ccc(CN(C2CC2)S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737712166 598507778 /nfs/dbraw/zinc/50/77/78/598507778.db2.gz ORGXHXAPIIJHSK-UHFFFAOYSA-N -1 3 394.460 2.233 20 30 GEEDHM N#Cc1ccc(CN(C2CC2)S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737712166 598507780 /nfs/dbraw/zinc/50/77/80/598507780.db2.gz ORGXHXAPIIJHSK-UHFFFAOYSA-N -1 3 394.460 2.233 20 30 GEEDHM CC(C)n1ncc2cc(CSc3nc(N)c(C#N)cc3-c3nnn[n-]3)cnc21 ZINC000735963745 598568995 /nfs/dbraw/zinc/56/89/95/598568995.db2.gz LFROXTWENYEVDY-UHFFFAOYSA-N -1 3 392.452 2.333 20 30 GEEDHM CC(C)n1ncc2cc(CSc3nc(N)c(C#N)cc3-c3nn[n-]n3)cnc21 ZINC000735963745 598568997 /nfs/dbraw/zinc/56/89/97/598568997.db2.gz LFROXTWENYEVDY-UHFFFAOYSA-N -1 3 392.452 2.333 20 30 GEEDHM N#CCOc1cccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737698439 598578613 /nfs/dbraw/zinc/57/86/13/598578613.db2.gz YMKQROBCSZNNGU-SFHVURJKSA-N -1 3 389.419 2.377 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@@H]2CCCc3ccccc3C2=O)nc1N ZINC000737705716 598582930 /nfs/dbraw/zinc/58/29/30/598582930.db2.gz QUJFMJNUUZXMIQ-CQSZACIVSA-N -1 3 377.433 2.395 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@@H]2CCCc3ccccc3C2=O)nc1N ZINC000737705716 598582931 /nfs/dbraw/zinc/58/29/31/598582931.db2.gz QUJFMJNUUZXMIQ-CQSZACIVSA-N -1 3 377.433 2.395 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000735418542 598620979 /nfs/dbraw/zinc/62/09/79/598620979.db2.gz GPDWPQQNRCQWRZ-AWEZNQCLSA-N -1 3 380.374 2.018 20 30 GEEDHM C#CCNC(=O)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000735381672 598703051 /nfs/dbraw/zinc/70/30/51/598703051.db2.gz OEUWAZBDVHRCIB-UHFFFAOYSA-N -1 3 378.411 2.070 20 30 GEEDHM C#CCNC(=O)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000735381672 598703053 /nfs/dbraw/zinc/70/30/53/598703053.db2.gz OEUWAZBDVHRCIB-UHFFFAOYSA-N -1 3 378.411 2.070 20 30 GEEDHM N#Cc1cccc(C(=O)COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826386509 607365649 /nfs/dbraw/zinc/36/56/49/607365649.db2.gz HWYSJLMKFHAWGY-UHFFFAOYSA-N -1 3 393.428 2.398 20 30 GEEDHM N#Cc1cccc(C(=O)COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826386509 607365650 /nfs/dbraw/zinc/36/56/50/607365650.db2.gz HWYSJLMKFHAWGY-UHFFFAOYSA-N -1 3 393.428 2.398 20 30 GEEDHM N#Cc1ccc(CSCC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826385109 607365896 /nfs/dbraw/zinc/36/58/96/607365896.db2.gz XOUKQAWLXQYYIM-UHFFFAOYSA-N -1 3 393.428 2.398 20 30 GEEDHM N#Cc1ccc(CSCC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826385109 607365897 /nfs/dbraw/zinc/36/58/97/607365897.db2.gz XOUKQAWLXQYYIM-UHFFFAOYSA-N -1 3 393.428 2.398 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737728544 598745225 /nfs/dbraw/zinc/74/52/25/598745225.db2.gz QNJDZEIZPPMLNH-UHFFFAOYSA-N -1 3 380.387 2.069 20 30 GEEDHM C#Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000735390271 598767451 /nfs/dbraw/zinc/76/74/51/598767451.db2.gz WOAYFYBFMJAKQF-JTQLQIEISA-N -1 3 396.794 2.080 20 30 GEEDHM C#Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000735390271 598767453 /nfs/dbraw/zinc/76/74/53/598767453.db2.gz WOAYFYBFMJAKQF-JTQLQIEISA-N -1 3 396.794 2.080 20 30 GEEDHM C#Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000735390272 598767756 /nfs/dbraw/zinc/76/77/56/598767756.db2.gz WOAYFYBFMJAKQF-SNVBAGLBSA-N -1 3 396.794 2.080 20 30 GEEDHM C#Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000735390272 598767758 /nfs/dbraw/zinc/76/77/58/598767758.db2.gz WOAYFYBFMJAKQF-SNVBAGLBSA-N -1 3 396.794 2.080 20 30 GEEDHM CS(=O)(=O)c1ccccc1N=NC1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000821942035 599340183 /nfs/dbraw/zinc/34/01/83/599340183.db2.gz KOOMJYNBWROUBK-UHFFFAOYSA-N -1 3 382.449 2.423 20 30 GEEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000819759343 599371628 /nfs/dbraw/zinc/37/16/28/599371628.db2.gz UYFJCQJEXXBSTE-UHFFFAOYSA-N -1 3 376.369 2.338 20 30 GEEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000819759343 599371631 /nfs/dbraw/zinc/37/16/31/599371631.db2.gz UYFJCQJEXXBSTE-UHFFFAOYSA-N -1 3 376.369 2.338 20 30 GEEDHM C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374929 599430239 /nfs/dbraw/zinc/43/02/39/599430239.db2.gz TZXGHCPDGAPPEC-ZDUSSCGKSA-N -1 3 377.408 2.329 20 30 GEEDHM C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374929 599430242 /nfs/dbraw/zinc/43/02/42/599430242.db2.gz TZXGHCPDGAPPEC-ZDUSSCGKSA-N -1 3 377.408 2.329 20 30 GEEDHM Cc1cccc(C)c1NC(=S)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737388177 599456615 /nfs/dbraw/zinc/45/66/15/599456615.db2.gz BRICNGQHKFVRSH-UHFFFAOYSA-N -1 3 391.464 2.452 20 30 GEEDHM Cc1cccc(C)c1NC(=S)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737388177 599456616 /nfs/dbraw/zinc/45/66/16/599456616.db2.gz BRICNGQHKFVRSH-UHFFFAOYSA-N -1 3 391.464 2.452 20 30 GEEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1OC ZINC000737067972 599460269 /nfs/dbraw/zinc/46/02/69/599460269.db2.gz WQQWFICXEOCMFU-WAYWQWQTSA-N -1 3 376.376 2.428 20 30 GEEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1OC ZINC000737067972 599460271 /nfs/dbraw/zinc/46/02/71/599460271.db2.gz WQQWFICXEOCMFU-WAYWQWQTSA-N -1 3 376.376 2.428 20 30 GEEDHM N#Cc1cccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1 ZINC000822836930 599461013 /nfs/dbraw/zinc/46/10/13/599461013.db2.gz AZPUEWLRXQYZJZ-UHFFFAOYSA-N -1 3 375.436 2.312 20 30 GEEDHM N#Cc1cccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1 ZINC000822836930 599461016 /nfs/dbraw/zinc/46/10/16/599461016.db2.gz AZPUEWLRXQYZJZ-UHFFFAOYSA-N -1 3 375.436 2.312 20 30 GEEDHM C=CCCCN(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819739616 599606153 /nfs/dbraw/zinc/60/61/53/599606153.db2.gz AUCKHANTQJBODW-UHFFFAOYSA-N -1 3 382.346 2.249 20 30 GEEDHM C=CCCCN(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819739616 599606154 /nfs/dbraw/zinc/60/61/54/599606154.db2.gz AUCKHANTQJBODW-UHFFFAOYSA-N -1 3 382.346 2.249 20 30 GEEDHM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000739066540 600298798 /nfs/dbraw/zinc/29/87/98/600298798.db2.gz OGNCWIHRCYOLPH-LSDHHAIUSA-N -1 3 376.416 2.410 20 30 GEEDHM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000739066189 600512537 /nfs/dbraw/zinc/51/25/37/600512537.db2.gz GYMAJJIZJHVBBY-HZPDHXFCSA-N -1 3 394.431 2.179 20 30 GEEDHM N#Cc1cccc(C2(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)CC2)c1 ZINC000826386750 607455563 /nfs/dbraw/zinc/45/55/63/607455563.db2.gz RJJYQONGMXRSRG-UHFFFAOYSA-N -1 3 377.383 2.366 20 30 GEEDHM N#Cc1cccc(C2(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000826386750 607455564 /nfs/dbraw/zinc/45/55/64/607455564.db2.gz RJJYQONGMXRSRG-UHFFFAOYSA-N -1 3 377.383 2.366 20 30 GEEDHM COc1ccc(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1C#N ZINC000826199108 607460414 /nfs/dbraw/zinc/46/04/14/607460414.db2.gz QJCPUCABPBDCIE-UHFFFAOYSA-N -1 3 389.419 2.235 20 30 GEEDHM COc1ccc(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1C#N ZINC000826199108 607460415 /nfs/dbraw/zinc/46/04/15/607460415.db2.gz QJCPUCABPBDCIE-UHFFFAOYSA-N -1 3 389.419 2.235 20 30 GEEDHM N#Cc1cccc(C2(NC(=O)NCc3cc(-c4nnn[n-]4)ccc3F)CC2)c1 ZINC000826386580 607459159 /nfs/dbraw/zinc/45/91/59/607459159.db2.gz KPLDBCRRDOWEMP-UHFFFAOYSA-N -1 3 377.383 2.366 20 30 GEEDHM N#Cc1cccc(C2(NC(=O)NCc3cc(-c4nn[n-]n4)ccc3F)CC2)c1 ZINC000826386580 607459160 /nfs/dbraw/zinc/45/91/60/607459160.db2.gz KPLDBCRRDOWEMP-UHFFFAOYSA-N -1 3 377.383 2.366 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1CN1C(=O)CSC1=CC(=O)C(C)(C)C ZINC000821731835 607490201 /nfs/dbraw/zinc/49/02/01/607490201.db2.gz HJIDAPOJJIXLQG-PXNMLYILSA-N -1 3 387.465 2.407 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1CN1C(=O)CSC1=CC(=O)C(C)(C)C ZINC000821731835 607490202 /nfs/dbraw/zinc/49/02/02/607490202.db2.gz HJIDAPOJJIXLQG-PXNMLYILSA-N -1 3 387.465 2.407 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1CN1C(=O)CSC1=CC(=O)C(C)(C)C ZINC000821731832 607490315 /nfs/dbraw/zinc/49/03/15/607490315.db2.gz HJIDAPOJJIXLQG-LZYBPNLTSA-N -1 3 387.465 2.407 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1CN1C(=O)CSC1=CC(=O)C(C)(C)C ZINC000821731832 607490316 /nfs/dbraw/zinc/49/03/16/607490316.db2.gz HJIDAPOJJIXLQG-LZYBPNLTSA-N -1 3 387.465 2.407 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(c2ccccc2C#N)CC1 ZINC000826183314 607524961 /nfs/dbraw/zinc/52/49/61/607524961.db2.gz LRRQAJRYVXKIIZ-UHFFFAOYSA-N -1 3 375.436 2.069 20 30 GEEDHM Fc1ccc(C#CCN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000826373743 607525116 /nfs/dbraw/zinc/52/51/16/607525116.db2.gz XZXUJBMNXJGOKQ-UHFFFAOYSA-N -1 3 380.402 2.319 20 30 GEEDHM CN(C[C@H](O)COc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830706020 601900616 /nfs/dbraw/zinc/90/06/16/601900616.db2.gz AACHMVSLTVNHPL-SCLBCKFNSA-N -1 3 394.349 2.473 20 30 GEEDHM Cc1cccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)c1C#N ZINC000826303725 607580817 /nfs/dbraw/zinc/58/08/17/607580817.db2.gz BORXRBUGSIBQBU-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)c1C#N ZINC000826303725 607580820 /nfs/dbraw/zinc/58/08/20/607580820.db2.gz BORXRBUGSIBQBU-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823844628 607599802 /nfs/dbraw/zinc/59/98/02/607599802.db2.gz DRPIFDFNGXEXIV-UHFFFAOYSA-N -1 3 379.873 2.477 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823855831 607618964 /nfs/dbraw/zinc/61/89/64/607618964.db2.gz BGYPXKYCBPMGHZ-UHFFFAOYSA-N -1 3 396.382 2.348 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823855831 607618966 /nfs/dbraw/zinc/61/89/66/607618966.db2.gz BGYPXKYCBPMGHZ-UHFFFAOYSA-N -1 3 396.382 2.348 20 30 GEEDHM Cc1csc(=NC[C@@H]2CCCO2)n1N=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826320019 607634205 /nfs/dbraw/zinc/63/42/05/607634205.db2.gz DDVKPBGUYIOEKZ-LBPRGKRZSA-N -1 3 375.483 2.062 20 30 GEEDHM Cc1csc(=NC[C@@H]2CCCO2)n1N=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826320019 607634207 /nfs/dbraw/zinc/63/42/07/607634207.db2.gz DDVKPBGUYIOEKZ-LBPRGKRZSA-N -1 3 375.483 2.062 20 30 GEEDHM C#CCN(C1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823846027 607668486 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GEEDHM N#Cc1cccc(OCCCOC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000822837383 606941961 /nfs/dbraw/zinc/94/19/61/606941961.db2.gz LZBPIXROHRXNGF-UHFFFAOYSA-N -1 3 379.376 2.129 20 30 GEEDHM N#Cc1cccc(OCCCOC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000822837383 606941963 /nfs/dbraw/zinc/94/19/63/606941963.db2.gz LZBPIXROHRXNGF-UHFFFAOYSA-N -1 3 379.376 2.129 20 30 GEEDHM N#Cc1cccc(OCCCOC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822836937 606942318 /nfs/dbraw/zinc/94/23/18/606942318.db2.gz BEGTXWSHCRKJKC-UHFFFAOYSA-N -1 3 379.376 2.129 20 30 GEEDHM N#Cc1cccc(OCCCOC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822837356 606947199 /nfs/dbraw/zinc/94/71/99/606947199.db2.gz LEANTVWGEUJKCX-UHFFFAOYSA-N -1 3 379.376 2.129 20 30 GEEDHM N#Cc1cccc(OCCCOC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822837356 606947201 /nfs/dbraw/zinc/94/72/01/606947201.db2.gz LEANTVWGEUJKCX-UHFFFAOYSA-N -1 3 379.376 2.129 20 30 GEEDHM CC(C)(C)[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819899146 607025410 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398.427 2.284 20 30 GEEDHM Cc1c(F)cccc1NC(=O)CCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000822035144 607159652 /nfs/dbraw/zinc/15/96/52/607159652.db2.gz QZBMSRKYNDSHTP-UHFFFAOYSA-N -1 3 398.427 2.284 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(C#N)c1 ZINC000820315474 607183122 /nfs/dbraw/zinc/18/31/22/607183122.db2.gz NYEOUZUXKYJFJQ-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(C#N)c1 ZINC000820315474 607183123 /nfs/dbraw/zinc/18/31/23/607183123.db2.gz NYEOUZUXKYJFJQ-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)C=Cc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000822837858 607188750 /nfs/dbraw/zinc/18/87/50/607188750.db2.gz VSINWDXJVVHQDP-FPLPWBNLSA-N -1 3 396.414 2.458 20 30 GEEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)C=Cc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000822837858 607188751 /nfs/dbraw/zinc/18/87/51/607188751.db2.gz VSINWDXJVVHQDP-FPLPWBNLSA-N -1 3 396.414 2.458 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822830116 607248923 /nfs/dbraw/zinc/24/89/23/607248923.db2.gz VBQVQNIZEUQZJS-MRXNPFEDSA-N -1 3 378.367 2.452 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822830116 607248924 /nfs/dbraw/zinc/24/89/24/607248924.db2.gz VBQVQNIZEUQZJS-MRXNPFEDSA-N -1 3 378.367 2.452 20 30 GEEDHM C=CCN(CCc1ccccc1)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823903722 607827738 /nfs/dbraw/zinc/82/77/38/607827738.db2.gz IPOKXTBBZCYWPD-UHFFFAOYSA-N -1 3 397.504 2.371 20 30 GEEDHM C=CCN(CCc1ccccc1)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823903722 607827739 /nfs/dbraw/zinc/82/77/39/607827739.db2.gz IPOKXTBBZCYWPD-UHFFFAOYSA-N -1 3 397.504 2.371 20 30 GEEDHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC[C@@H](C#N)CCC#N ZINC000826166977 607875423 /nfs/dbraw/zinc/87/54/23/607875423.db2.gz KFYPTMMMYIPABH-SECBINFHSA-N -1 3 377.202 2.460 20 30 GEEDHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC[C@@H](C#N)CCC#N ZINC000826166977 607875424 /nfs/dbraw/zinc/87/54/24/607875424.db2.gz KFYPTMMMYIPABH-SECBINFHSA-N -1 3 377.202 2.460 20 30 GEEDHM C#CCOCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823850852 607922068 /nfs/dbraw/zinc/92/20/68/607922068.db2.gz VJCBMPKYYVNENR-CQSZACIVSA-N -1 3 378.417 2.206 20 30 GEEDHM C#CCOCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823850852 607922069 /nfs/dbraw/zinc/92/20/69/607922069.db2.gz VJCBMPKYYVNENR-CQSZACIVSA-N -1 3 378.417 2.206 20 30 GEEDHM C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824634231 608002179 /nfs/dbraw/zinc/00/21/79/608002179.db2.gz TZXLZGOVLAIHEB-LLVKDONJSA-N -1 3 386.412 2.058 20 30 GEEDHM C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824634231 608002180 /nfs/dbraw/zinc/00/21/80/608002180.db2.gz TZXLZGOVLAIHEB-LLVKDONJSA-N -1 3 386.412 2.058 20 30 GEEDHM N#CCOc1cccc(CC(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826382339 608030649 /nfs/dbraw/zinc/03/06/49/608030649.db2.gz ZLFYZNRIRFSNGX-UHFFFAOYSA-N -1 3 393.403 2.324 20 30 GEEDHM N#CCOc1cccc(CC(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826382339 608030650 /nfs/dbraw/zinc/03/06/50/608030650.db2.gz ZLFYZNRIRFSNGX-UHFFFAOYSA-N -1 3 393.403 2.324 20 30 GEEDHM COc1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1C#N ZINC000826195406 608067470 /nfs/dbraw/zinc/06/74/70/608067470.db2.gz SLRLRUCNUWTZFN-IBGZPJMESA-N -1 3 376.420 2.320 20 30 GEEDHM COc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1C#N ZINC000826195406 608067471 /nfs/dbraw/zinc/06/74/71/608067471.db2.gz SLRLRUCNUWTZFN-IBGZPJMESA-N -1 3 376.420 2.320 20 30 GEEDHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC)OCC ZINC000823873566 608136676 /nfs/dbraw/zinc/13/66/76/608136676.db2.gz NKICROKZUWVXGD-INIZCTEOSA-N -1 3 375.429 2.202 20 30 GEEDHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC)OCC ZINC000823873566 608136677 /nfs/dbraw/zinc/13/66/77/608136677.db2.gz NKICROKZUWVXGD-INIZCTEOSA-N -1 3 375.429 2.202 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1noc(C2CC2)n1 ZINC000823910175 608170140 /nfs/dbraw/zinc/17/01/40/608170140.db2.gz YMWJCQZSPYGMTR-UHFFFAOYSA-N -1 3 380.412 2.025 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1noc(C2CC2)n1 ZINC000823910175 608170141 /nfs/dbraw/zinc/17/01/41/608170141.db2.gz YMWJCQZSPYGMTR-UHFFFAOYSA-N -1 3 380.412 2.025 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000826249095 608191820 /nfs/dbraw/zinc/19/18/20/608191820.db2.gz LNZCZGWOBGLION-UHFFFAOYSA-N -1 3 384.403 2.367 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000826249095 608191823 /nfs/dbraw/zinc/19/18/23/608191823.db2.gz LNZCZGWOBGLION-UHFFFAOYSA-N -1 3 384.403 2.367 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(COC)ncn1 ZINC000823909352 608266563 /nfs/dbraw/zinc/26/65/63/608266563.db2.gz AFQOQHOOLPVYSV-UHFFFAOYSA-N -1 3 380.412 2.023 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(COC)ncn1 ZINC000823909352 608266564 /nfs/dbraw/zinc/26/65/64/608266564.db2.gz AFQOQHOOLPVYSV-UHFFFAOYSA-N -1 3 380.412 2.023 20 30 GEEDHM C=C(CC)CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823878152 608289294 /nfs/dbraw/zinc/28/92/94/608289294.db2.gz RBCCXNUFERCTMA-HNNXBMFYSA-N -1 3 377.470 2.003 20 30 GEEDHM C=C(CC)CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823878152 608289296 /nfs/dbraw/zinc/28/92/96/608289296.db2.gz RBCCXNUFERCTMA-HNNXBMFYSA-N -1 3 377.470 2.003 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1ccc(-n2cncn2)cc1 ZINC000826173324 608324271 /nfs/dbraw/zinc/32/42/71/608324271.db2.gz XXSSKXYRKXSNHR-UHFFFAOYSA-N -1 3 376.380 2.007 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1CON=Cc1ccc(-n2cncn2)cc1 ZINC000826173324 608324273 /nfs/dbraw/zinc/32/42/73/608324273.db2.gz XXSSKXYRKXSNHR-UHFFFAOYSA-N -1 3 376.380 2.007 20 30 GEEDHM C[C@@H](NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)c1cccc(C#N)c1 ZINC000824634327 608335838 /nfs/dbraw/zinc/33/58/38/608335838.db2.gz VQPHIDCEYWLXAW-LLVKDONJSA-N -1 3 386.412 2.058 20 30 GEEDHM C[C@@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)c1cccc(C#N)c1 ZINC000824634327 608335840 /nfs/dbraw/zinc/33/58/40/608335840.db2.gz VQPHIDCEYWLXAW-LLVKDONJSA-N -1 3 386.412 2.058 20 30 GEEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000823958293 608541362 /nfs/dbraw/zinc/54/13/62/608541362.db2.gz HXHOMPAWDWQBSH-UHFFFAOYSA-N -1 3 391.844 2.155 20 30 GEEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000823958293 608541363 /nfs/dbraw/zinc/54/13/63/608541363.db2.gz HXHOMPAWDWQBSH-UHFFFAOYSA-N -1 3 391.844 2.155 20 30 GEEDHM C#CCOc1ccccc1CN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000823861722 608594185 /nfs/dbraw/zinc/59/41/85/608594185.db2.gz PZLFZQCPRAVFLS-UHFFFAOYSA-N -1 3 392.438 2.340 20 30 GEEDHM C#CCOc1ccccc1CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000823861901 608637448 /nfs/dbraw/zinc/63/74/48/608637448.db2.gz SNLAQVZAEZSJSL-UHFFFAOYSA-N -1 3 392.438 2.340 20 30 GEEDHM C=CCOCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823925921 609152650 /nfs/dbraw/zinc/15/26/50/609152650.db2.gz RBWOHKOTNYQBTH-UHFFFAOYSA-N -1 3 381.396 2.378 20 30 GEEDHM CC(=NNC(=S)NCCc1cccs1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953508 609159135 /nfs/dbraw/zinc/15/91/35/609159135.db2.gz CXTXNNYKWGLNMC-UHFFFAOYSA-N -1 3 389.485 2.498 20 30 GEEDHM CC(=NNC(=S)NCCc1cccs1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953508 609159136 /nfs/dbraw/zinc/15/91/36/609159136.db2.gz CXTXNNYKWGLNMC-UHFFFAOYSA-N -1 3 389.485 2.498 20 30 GEEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824034129 609163823 /nfs/dbraw/zinc/16/38/23/609163823.db2.gz HGBRNKFMJUQFAE-ZDUSSCGKSA-N -1 3 393.407 2.358 20 30 GEEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824292855 609214836 /nfs/dbraw/zinc/21/48/36/609214836.db2.gz BRHSNSYGANSSSQ-GOSISDBHSA-N -1 3 376.420 2.209 20 30 GEEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824292855 609214838 /nfs/dbraw/zinc/21/48/38/609214838.db2.gz BRHSNSYGANSSSQ-GOSISDBHSA-N -1 3 376.420 2.209 20 30 GEEDHM N#CC1(c2ccc(C(=O)OCC(=O)Nc3sccc3-c3nnn[n-]3)cc2)CC1 ZINC000826380109 609246196 /nfs/dbraw/zinc/24/61/96/609246196.db2.gz NNDZKVIUHIPAPP-UHFFFAOYSA-N -1 3 394.416 2.279 20 30 GEEDHM N#CC1(c2ccc(C(=O)OCC(=O)Nc3sccc3-c3nn[n-]n3)cc2)CC1 ZINC000826380109 609246198 /nfs/dbraw/zinc/24/61/98/609246198.db2.gz NNDZKVIUHIPAPP-UHFFFAOYSA-N -1 3 394.416 2.279 20 30 GEEDHM N#CC1(c2ccc(C(=O)OCC(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826380189 609246245 /nfs/dbraw/zinc/24/62/45/609246245.db2.gz QKIPGCWNIRHFTB-UHFFFAOYSA-N -1 3 388.387 2.217 20 30 GEEDHM N#CC1(c2ccc(C(=O)OCC(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826380189 609246246 /nfs/dbraw/zinc/24/62/46/609246246.db2.gz QKIPGCWNIRHFTB-UHFFFAOYSA-N -1 3 388.387 2.217 20 30 GEEDHM N#Cc1ccc(C2=CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826385094 609258895 /nfs/dbraw/zinc/25/88/95/609258895.db2.gz XADOBWJCSYJUAI-IBGZPJMESA-N -1 3 386.415 2.088 20 30 GEEDHM N#Cc1ccc(C2=CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385094 609258897 /nfs/dbraw/zinc/25/88/97/609258897.db2.gz XADOBWJCSYJUAI-IBGZPJMESA-N -1 3 386.415 2.088 20 30 GEEDHM CC(=NNC(=S)NCCc1cccs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953511 609275309 /nfs/dbraw/zinc/27/53/09/609275309.db2.gz DFMDSLBBYFVHRC-UHFFFAOYSA-N -1 3 389.485 2.498 20 30 GEEDHM CC(=NNC(=S)NCCc1cccs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953511 609275310 /nfs/dbraw/zinc/27/53/10/609275310.db2.gz DFMDSLBBYFVHRC-UHFFFAOYSA-N -1 3 389.485 2.498 20 30 GEEDHM N#Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cn2)c(Br)c1 ZINC000826385114 609346949 /nfs/dbraw/zinc/34/69/49/609346949.db2.gz XUWJZHLLGMFNDX-UHFFFAOYSA-N -1 3 385.181 2.253 20 30 GEEDHM N#Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cn2)c(Br)c1 ZINC000826385114 609346951 /nfs/dbraw/zinc/34/69/51/609346951.db2.gz XUWJZHLLGMFNDX-UHFFFAOYSA-N -1 3 385.181 2.253 20 30 GEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1ccc(C#N)cc1Br ZINC000826358241 609348341 /nfs/dbraw/zinc/34/83/41/609348341.db2.gz LTJFBRKSPFVOJD-UHFFFAOYSA-N -1 3 387.197 2.196 20 30 GEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1ccc(C#N)cc1Br ZINC000826358241 609348342 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/nfs/dbraw/zinc/88/08/02/598880802.db2.gz LYXBTYXCLZCTRQ-CYBMUJFWSA-N -1 3 379.376 2.128 20 30 GEEDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)COc1ccc(C#N)cc1 ZINC000736037496 598880803 /nfs/dbraw/zinc/88/08/03/598880803.db2.gz LYXBTYXCLZCTRQ-CYBMUJFWSA-N -1 3 379.376 2.128 20 30 GEEDHM Cc1ccc(C)n1-c1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1C ZINC000737328290 598920033 /nfs/dbraw/zinc/92/00/33/598920033.db2.gz FTJIQWPSOUFRGI-UHFFFAOYSA-N -1 3 387.407 2.132 20 30 GEEDHM Cc1ccc(C)n1-c1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1C ZINC000737328290 598920035 /nfs/dbraw/zinc/92/00/35/598920035.db2.gz FTJIQWPSOUFRGI-UHFFFAOYSA-N -1 3 387.407 2.132 20 30 GEEDHM N#Cc1cc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)ccc1-c1nnn[n-]1 ZINC000737709607 598920408 /nfs/dbraw/zinc/92/04/08/598920408.db2.gz PLBCFZSRWWVUFS-UHFFFAOYSA-N -1 3 382.767 2.415 20 30 GEEDHM N#Cc1cc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC000737709607 598920409 /nfs/dbraw/zinc/92/04/09/598920409.db2.gz PLBCFZSRWWVUFS-UHFFFAOYSA-N -1 3 382.767 2.415 20 30 GEEDHM CCC(=O)c1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736309454 598920758 /nfs/dbraw/zinc/92/07/58/598920758.db2.gz OQWGMMUDNZPUNJ-UHFFFAOYSA-N -1 3 376.376 2.349 20 30 GEEDHM CCC(=O)c1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736309454 598920760 /nfs/dbraw/zinc/92/07/60/598920760.db2.gz OQWGMMUDNZPUNJ-UHFFFAOYSA-N -1 3 376.376 2.349 20 30 GEEDHM N#Cc1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1-c1nnn[n-]1 ZINC000737716006 598922076 /nfs/dbraw/zinc/92/20/76/598922076.db2.gz JXFXEKLMANPXFT-UHFFFAOYSA-N -1 3 392.404 2.421 20 30 GEEDHM N#Cc1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1-c1nn[n-]n1 ZINC000737716006 598922077 /nfs/dbraw/zinc/92/20/77/598922077.db2.gz JXFXEKLMANPXFT-UHFFFAOYSA-N -1 3 392.404 2.421 20 30 GEEDHM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735593585 598924378 /nfs/dbraw/zinc/92/43/78/598924378.db2.gz KPFYTDZVGRFTAE-OAHLLOKOSA-N -1 3 381.440 2.104 20 30 GEEDHM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735593585 598924380 /nfs/dbraw/zinc/92/43/80/598924380.db2.gz KPFYTDZVGRFTAE-OAHLLOKOSA-N -1 3 381.440 2.104 20 30 GEEDHM COc1cccc(CO[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737132636 598924912 /nfs/dbraw/zinc/92/49/12/598924912.db2.gz OGMISBXWEFRGNX-LBPRGKRZSA-N -1 3 378.392 2.291 20 30 GEEDHM COc1cccc(CO[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737132636 598924913 /nfs/dbraw/zinc/92/49/13/598924913.db2.gz OGMISBXWEFRGNX-LBPRGKRZSA-N -1 3 378.392 2.291 20 30 GEEDHM N#Cc1ccc(CSCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737717580 598927279 /nfs/dbraw/zinc/92/72/79/598927279.db2.gz GKKJDYAXXJGTLI-UHFFFAOYSA-N -1 3 375.417 2.482 20 30 GEEDHM N#Cc1ccc(CSCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737717580 598927280 /nfs/dbraw/zinc/92/72/80/598927280.db2.gz GKKJDYAXXJGTLI-UHFFFAOYSA-N -1 3 375.417 2.482 20 30 GEEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nnn1-c1cccc(C)c1 ZINC000737381455 598928472 /nfs/dbraw/zinc/92/84/72/598928472.db2.gz IVBKHMIHBBSFRE-UHFFFAOYSA-N -1 3 385.391 2.188 20 30 GEEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nnn1-c1cccc(C)c1 ZINC000737381455 598928473 /nfs/dbraw/zinc/92/84/73/598928473.db2.gz IVBKHMIHBBSFRE-UHFFFAOYSA-N -1 3 385.391 2.188 20 30 GEEDHM O=[N+]([O-])c1ccn([C@@H]2CCCCC2=NNCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823647454 607254790 /nfs/dbraw/zinc/25/47/90/607254790.db2.gz KBIOHGBLJXMNDO-OAHLLOKOSA-N -1 3 381.400 2.232 20 30 GEEDHM O=[N+]([O-])c1ccn([C@@H]2CCCCC2=NNCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823647454 607254791 /nfs/dbraw/zinc/25/47/91/607254791.db2.gz KBIOHGBLJXMNDO-OAHLLOKOSA-N -1 3 381.400 2.232 20 30 GEEDHM N#Cc1c(N)sc2c1CCN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C2 ZINC000737705252 599043160 /nfs/dbraw/zinc/04/31/60/599043160.db2.gz MLJGFADBEFYPSZ-UHFFFAOYSA-N -1 3 392.370 2.359 20 30 GEEDHM N#Cc1c(N)sc2c1CCN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C2 ZINC000737705252 599043163 /nfs/dbraw/zinc/04/31/63/599043163.db2.gz MLJGFADBEFYPSZ-UHFFFAOYSA-N -1 3 392.370 2.359 20 30 GEEDHM N#Cc1ccc(C(F)(F)F)nc1NCCNc1ncccc1-c1nnn[n-]1 ZINC000737711792 599051160 /nfs/dbraw/zinc/05/11/60/599051160.db2.gz LFPOSUVQYGOSPQ-UHFFFAOYSA-N -1 3 375.318 2.071 20 30 GEEDHM N#Cc1ccc(C(F)(F)F)nc1NCCNc1ncccc1-c1nn[n-]n1 ZINC000737711792 599051163 /nfs/dbraw/zinc/05/11/63/599051163.db2.gz LFPOSUVQYGOSPQ-UHFFFAOYSA-N -1 3 375.318 2.071 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000737032348 599156832 /nfs/dbraw/zinc/15/68/32/599156832.db2.gz LLRGSJIHSVDNHH-UHFFFAOYSA-N -1 3 375.348 2.376 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000737032348 599156834 /nfs/dbraw/zinc/15/68/34/599156834.db2.gz LLRGSJIHSVDNHH-UHFFFAOYSA-N -1 3 375.348 2.376 20 30 GEEDHM CCNc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1[N+](=O)[O-] ZINC000736586034 599190851 /nfs/dbraw/zinc/19/08/51/599190851.db2.gz YPIWINOXGXZDOL-UHFFFAOYSA-N -1 3 378.352 2.331 20 30 GEEDHM CCNc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1[N+](=O)[O-] ZINC000736586034 599190854 /nfs/dbraw/zinc/19/08/54/599190854.db2.gz YPIWINOXGXZDOL-UHFFFAOYSA-N -1 3 378.352 2.331 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)cc1-c1nnn[n-]1 ZINC000737716274 599192715 /nfs/dbraw/zinc/19/27/15/599192715.db2.gz OGBXHCFGIGGNIZ-UHFFFAOYSA-N -1 3 375.323 2.384 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)cc1-c1nn[n-]n1 ZINC000737716274 599192717 /nfs/dbraw/zinc/19/27/17/599192717.db2.gz OGBXHCFGIGGNIZ-UHFFFAOYSA-N -1 3 375.323 2.384 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000737715914 599195645 /nfs/dbraw/zinc/19/56/45/599195645.db2.gz IDAFNLLPEXTIKY-GOSISDBHSA-N -1 3 384.403 2.218 20 30 GEEDHM C#CCOc1ccc(C(=O)N(CCOC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735380131 599201376 /nfs/dbraw/zinc/20/13/76/599201376.db2.gz DDRDZRLWYWGYRI-UHFFFAOYSA-N -1 3 377.404 2.172 20 30 GEEDHM C#CCOc1ccc(C(=O)N(CCOC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380131 599201377 /nfs/dbraw/zinc/20/13/77/599201377.db2.gz DDRDZRLWYWGYRI-UHFFFAOYSA-N -1 3 377.404 2.172 20 30 GEEDHM C=CCNc1ncc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000819750244 607263376 /nfs/dbraw/zinc/26/33/76/607263376.db2.gz BAKYMAISMQRDLA-SNVBAGLBSA-N -1 3 399.436 2.105 20 30 GEEDHM C=CCNc1ncc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000819750244 607263377 /nfs/dbraw/zinc/26/33/77/607263377.db2.gz BAKYMAISMQRDLA-SNVBAGLBSA-N -1 3 399.436 2.105 20 30 GEEDHM C#CCN(CC#CC)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735374339 599227316 /nfs/dbraw/zinc/22/73/16/599227316.db2.gz IBVIUOWEGNSHCZ-UHFFFAOYSA-N -1 3 375.388 2.137 20 30 GEEDHM CSc1nc(C2CC2)cc(C(=O)Nc2ccn(CCC#N)n2)c1-c1nnn[n-]1 ZINC000737189579 599265326 /nfs/dbraw/zinc/26/53/26/599265326.db2.gz PBYNLPYIHXXCMJ-UHFFFAOYSA-N -1 3 395.452 2.223 20 30 GEEDHM Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1 ZINC000737321010 598272839 /nfs/dbraw/zinc/27/28/39/598272839.db2.gz AYNCFIVQUWCCNN-LLVKDONJSA-N -1 3 394.464 2.452 20 30 GEEDHM Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1 ZINC000737321010 598272840 /nfs/dbraw/zinc/27/28/40/598272840.db2.gz AYNCFIVQUWCCNN-LLVKDONJSA-N -1 3 394.464 2.452 20 30 GEEDHM C#CCNC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000735382309 598273072 /nfs/dbraw/zinc/27/30/72/598273072.db2.gz XZUJWHNWKFLEOT-ZDUSSCGKSA-N -1 3 392.419 2.217 20 30 GEEDHM C#CCNC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000735382309 598273073 /nfs/dbraw/zinc/27/30/73/598273073.db2.gz XZUJWHNWKFLEOT-ZDUSSCGKSA-N -1 3 392.419 2.217 20 30 GEEDHM Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000737390427 598274332 /nfs/dbraw/zinc/27/43/32/598274332.db2.gz PYASAJPLFCNWTL-NSHDSACASA-N -1 3 394.464 2.452 20 30 GEEDHM Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000737390427 598274333 /nfs/dbraw/zinc/27/43/33/598274333.db2.gz PYASAJPLFCNWTL-NSHDSACASA-N -1 3 394.464 2.452 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(-n2cnnc2)cc1 ZINC000735420988 598286243 /nfs/dbraw/zinc/28/62/43/598286243.db2.gz WJSASKRPXUYFID-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(-n2cnnc2)cc1 ZINC000735420988 598286244 /nfs/dbraw/zinc/28/62/44/598286244.db2.gz WJSASKRPXUYFID-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C=CCn1c(SC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)nnc1C1CC1 ZINC000735450506 598365803 /nfs/dbraw/zinc/36/58/03/598365803.db2.gz ZLXYFRRXZPFORL-AWEZNQCLSA-N -1 3 399.480 2.054 20 30 GEEDHM N#Cc1cnc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c(Cl)c1 ZINC000737728003 598387087 /nfs/dbraw/zinc/38/70/87/598387087.db2.gz GYXOYPAHNFSACS-UHFFFAOYSA-N -1 3 380.843 2.109 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCC(C(=O)OC)CC1 ZINC000735418514 598391990 /nfs/dbraw/zinc/39/19/90/598391990.db2.gz GGVSLHCXHYCUCX-UHFFFAOYSA-N -1 3 398.467 2.296 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCC(C(=O)OC)CC1 ZINC000735418514 598391993 /nfs/dbraw/zinc/39/19/93/598391993.db2.gz GGVSLHCXHYCUCX-UHFFFAOYSA-N -1 3 398.467 2.296 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000735419201 598418834 /nfs/dbraw/zinc/41/88/34/598418834.db2.gz PZIBNPRWYKFKKG-OAHLLOKOSA-N -1 3 396.495 2.466 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000735419201 598418836 /nfs/dbraw/zinc/41/88/36/598418836.db2.gz PZIBNPRWYKFKKG-OAHLLOKOSA-N -1 3 396.495 2.466 20 30 GEEDHM Cc1ccc(C#N)cc1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737307470 598436780 /nfs/dbraw/zinc/43/67/80/598436780.db2.gz XZGVXDFKSGTDTF-UHFFFAOYSA-N -1 3 385.391 2.067 20 30 GEEDHM Cc1ccc(C#N)cc1NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737307470 598436782 /nfs/dbraw/zinc/43/67/82/598436782.db2.gz XZGVXDFKSGTDTF-UHFFFAOYSA-N -1 3 385.391 2.067 20 30 GEEDHM COc1cccc(O)c1C=NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737140617 598439794 /nfs/dbraw/zinc/43/97/94/598439794.db2.gz GPZCVFSHXWRRID-UDWIEESQSA-N -1 3 379.424 2.064 20 30 GEEDHM COc1cccc(O)c1C=NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737140617 598439795 /nfs/dbraw/zinc/43/97/95/598439795.db2.gz GPZCVFSHXWRRID-UDWIEESQSA-N -1 3 379.424 2.064 20 30 GEEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)CCCCC#N ZINC000735830486 598594581 /nfs/dbraw/zinc/59/45/81/598594581.db2.gz GXNIPJWODYJUAV-UHFFFAOYSA-N -1 3 376.486 2.348 20 30 GEEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CCCCC#N ZINC000735830486 598594583 /nfs/dbraw/zinc/59/45/83/598594583.db2.gz GXNIPJWODYJUAV-UHFFFAOYSA-N -1 3 376.486 2.348 20 30 GEEDHM Cc1cc(C(=O)N[C@]2(C#N)CCSC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234428 598612080 /nfs/dbraw/zinc/61/20/80/598612080.db2.gz KWZMIGHOHPCOMA-IBGZPJMESA-N -1 3 393.476 2.403 20 30 GEEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735503495 598691597 /nfs/dbraw/zinc/69/15/97/598691597.db2.gz IDQZKRSTPKJZPA-FQEVSTJZSA-N -1 3 376.420 2.277 20 30 GEEDHM C#CCN1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000735380637 598701174 /nfs/dbraw/zinc/70/11/74/598701174.db2.gz IIPKLHYATIOVAR-UHFFFAOYSA-N -1 3 388.431 2.050 20 30 GEEDHM N#Cc1ccc(CSCC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384770 607366049 /nfs/dbraw/zinc/36/60/49/607366049.db2.gz JBIXOLSLJPNIBU-UHFFFAOYSA-N -1 3 393.428 2.398 20 30 GEEDHM N#Cc1ccc(CSCC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384770 607366051 /nfs/dbraw/zinc/36/60/51/607366051.db2.gz JBIXOLSLJPNIBU-UHFFFAOYSA-N -1 3 393.428 2.398 20 30 GEEDHM CC(C)CCN(CCC#N)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735803386 598752279 /nfs/dbraw/zinc/75/22/79/598752279.db2.gz CJRFVHXMEYRJOP-UHFFFAOYSA-N -1 3 393.455 2.037 20 30 GEEDHM CC(C)CCN(CCC#N)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735803386 598752281 /nfs/dbraw/zinc/75/22/81/598752281.db2.gz CJRFVHXMEYRJOP-UHFFFAOYSA-N -1 3 393.455 2.037 20 30 GEEDHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000736200458 599309668 /nfs/dbraw/zinc/30/96/68/599309668.db2.gz SIOIDBVAOXBVGN-CYBMUJFWSA-N -1 3 390.451 2.487 20 30 GEEDHM CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735691817 599332407 /nfs/dbraw/zinc/33/24/07/599332407.db2.gz PVVCNCYLEDTDKW-OAHLLOKOSA-N -1 3 381.362 2.352 20 30 GEEDHM CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735691817 599332410 /nfs/dbraw/zinc/33/24/10/599332410.db2.gz PVVCNCYLEDTDKW-OAHLLOKOSA-N -1 3 381.362 2.352 20 30 GEEDHM C[C@@](C#N)(NC(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000735502679 599332533 /nfs/dbraw/zinc/33/25/33/599332533.db2.gz CKQYXTDYVPVALA-HNNXBMFYSA-N -1 3 379.346 2.106 20 30 GEEDHM C[C@@](C#N)(NC(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000735502679 599332537 /nfs/dbraw/zinc/33/25/37/599332537.db2.gz CKQYXTDYVPVALA-HNNXBMFYSA-N -1 3 379.346 2.106 20 30 GEEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000821613619 599335740 /nfs/dbraw/zinc/33/57/40/599335740.db2.gz VNHKTIVQMFUSDP-UHFFFAOYSA-N -1 3 388.840 2.212 20 30 GEEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000821613619 599335743 /nfs/dbraw/zinc/33/57/43/599335743.db2.gz VNHKTIVQMFUSDP-UHFFFAOYSA-N -1 3 388.840 2.212 20 30 GEEDHM N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000443024845 599366735 /nfs/dbraw/zinc/36/67/35/599366735.db2.gz VHXFGGWWYWTLAB-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000443024845 599366737 /nfs/dbraw/zinc/36/67/37/599366737.db2.gz VHXFGGWWYWTLAB-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCC(=O)c2ccc(F)c(Cl)c2)nc1N ZINC000737705106 599368226 /nfs/dbraw/zinc/36/82/26/599368226.db2.gz MMJABYCRUIIKLP-UHFFFAOYSA-N -1 3 389.803 2.483 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCC(=O)c2ccc(F)c(Cl)c2)nc1N ZINC000737705106 599368229 /nfs/dbraw/zinc/36/82/29/599368229.db2.gz MMJABYCRUIIKLP-UHFFFAOYSA-N -1 3 389.803 2.483 20 30 GEEDHM Cc1cccc(NC(=S)NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1C ZINC000737399937 599456456 /nfs/dbraw/zinc/45/64/56/599456456.db2.gz PHJTWSPKVJSKFU-UHFFFAOYSA-N -1 3 391.464 2.452 20 30 GEEDHM Cc1cccc(NC(=S)NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1C ZINC000737399937 599456458 /nfs/dbraw/zinc/45/64/58/599456458.db2.gz PHJTWSPKVJSKFU-UHFFFAOYSA-N -1 3 391.464 2.452 20 30 GEEDHM C#CCNC(=O)C1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000819702285 599505616 /nfs/dbraw/zinc/50/56/16/599505616.db2.gz WUPUJLLGHKYVGC-UHFFFAOYSA-N -1 3 395.854 2.034 20 30 GEEDHM C#CCNC(=O)C1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000819702285 599505618 /nfs/dbraw/zinc/50/56/18/599505618.db2.gz WUPUJLLGHKYVGC-UHFFFAOYSA-N -1 3 395.854 2.034 20 30 GEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822010354 599542684 /nfs/dbraw/zinc/54/26/84/599542684.db2.gz ZGLYTKVXMUMZEE-GFCCVEGCSA-N -1 3 391.435 2.266 20 30 GEEDHM C#CCN1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000735382293 599569118 /nfs/dbraw/zinc/56/91/18/599569118.db2.gz XPXVFPSVPSGBOM-UHFFFAOYSA-N -1 3 387.447 2.001 20 30 GEEDHM C=CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000735409045 599593058 /nfs/dbraw/zinc/59/30/58/599593058.db2.gz AVVZSNWGDDDODR-UHFFFAOYSA-N -1 3 387.387 2.472 20 30 GEEDHM COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826216891 607399277 /nfs/dbraw/zinc/39/92/77/607399277.db2.gz RANXIOKFTGVXSY-INIZCTEOSA-N -1 3 376.376 2.145 20 30 GEEDHM N#Cc1ccc(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(F)c1 ZINC000826384589 607455860 /nfs/dbraw/zinc/45/58/60/607455860.db2.gz BMAYCXGMHXBQMC-UHFFFAOYSA-N -1 3 377.383 2.366 20 30 GEEDHM N#Cc1ccc(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(F)c1 ZINC000826384589 607455861 /nfs/dbraw/zinc/45/58/61/607455861.db2.gz BMAYCXGMHXBQMC-UHFFFAOYSA-N -1 3 377.383 2.366 20 30 GEEDHM COC(=O)COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821662615 607459458 /nfs/dbraw/zinc/45/94/58/607459458.db2.gz KLFYDZWWGPSZIB-TWGQIWQCSA-N -1 3 382.351 2.454 20 30 GEEDHM COC(=O)COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821662615 607459459 /nfs/dbraw/zinc/45/94/59/607459459.db2.gz KLFYDZWWGPSZIB-TWGQIWQCSA-N -1 3 382.351 2.454 20 30 GEEDHM CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000820967174 607463414 /nfs/dbraw/zinc/46/34/14/607463414.db2.gz LFGRPSVFDCRIAH-LJQANCHMSA-N -1 3 393.382 2.197 20 30 GEEDHM CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000820967174 607463415 /nfs/dbraw/zinc/46/34/15/607463415.db2.gz LFGRPSVFDCRIAH-LJQANCHMSA-N -1 3 393.382 2.197 20 30 GEEDHM COC[C@@](C)(CC(=O)[O-])NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000831573740 601134235 /nfs/dbraw/zinc/13/42/35/601134235.db2.gz UYBZTQVFOWZCLB-OAQYLSRUSA-N -1 3 398.463 2.374 20 30 GEEDHM CC(C)c1nc(CN(C)[C@H]2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)no1 ZINC000827152287 601321128 /nfs/dbraw/zinc/32/11/28/601321128.db2.gz GJGMIVMUDHAUJS-FUHWJXTLSA-N -1 3 383.452 2.397 20 30 GEEDHM COc1ccc(CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826199145 607563166 /nfs/dbraw/zinc/56/31/66/607563166.db2.gz REVXAXRWVLPREQ-LBPRGKRZSA-N -1 3 377.408 2.307 20 30 GEEDHM COc1ccc(CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826199145 607563168 /nfs/dbraw/zinc/56/31/68/607563168.db2.gz REVXAXRWVLPREQ-LBPRGKRZSA-N -1 3 377.408 2.307 20 30 GEEDHM CCOc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cccc(C)c1C#N ZINC000825615850 607576414 /nfs/dbraw/zinc/57/64/14/607576414.db2.gz NELDWNKVBVRCIA-UHFFFAOYSA-N -1 3 385.405 2.213 20 30 GEEDHM CCOc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cccc(C)c1C#N ZINC000825615850 607576415 /nfs/dbraw/zinc/57/64/15/607576415.db2.gz NELDWNKVBVRCIA-UHFFFAOYSA-N -1 3 385.405 2.213 20 30 GEEDHM COc1cc(C#N)ccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826177145 607577033 /nfs/dbraw/zinc/57/70/33/607577033.db2.gz UHYFHCXHZLALIL-UHFFFAOYSA-N -1 3 391.796 2.168 20 30 GEEDHM C#CCOc1ccccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823861384 607611023 /nfs/dbraw/zinc/61/10/23/607611023.db2.gz GFLMVYUYKOTGKS-UHFFFAOYSA-N -1 3 390.808 2.300 20 30 GEEDHM C#CCOc1cccc(NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000823856794 607618079 /nfs/dbraw/zinc/61/80/79/607618079.db2.gz YIQOUGKBRLSHNK-UHFFFAOYSA-N -1 3 378.392 2.209 20 30 GEEDHM C#CCOc1cccc(NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000823856794 607618080 /nfs/dbraw/zinc/61/80/80/607618080.db2.gz YIQOUGKBRLSHNK-UHFFFAOYSA-N -1 3 378.392 2.209 20 30 GEEDHM Cc1cccc(S(=O)(=O)N[C@@H](CCC#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826302140 607680068 /nfs/dbraw/zinc/68/00/68/607680068.db2.gz BDGBHTKKOGGXEH-HNNXBMFYSA-N -1 3 382.449 2.499 20 30 GEEDHM Cc1cccc(S(=O)(=O)N[C@@H](CCC#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826302140 607680069 /nfs/dbraw/zinc/68/00/69/607680069.db2.gz BDGBHTKKOGGXEH-HNNXBMFYSA-N -1 3 382.449 2.499 20 30 GEEDHM COc1cccc([C@@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1OC ZINC000826214273 607684073 /nfs/dbraw/zinc/68/40/73/607684073.db2.gz GPDJKDCFMIWWDP-OAHLLOKOSA-N -1 3 378.392 2.187 20 30 GEEDHM COc1cccc([C@@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1OC ZINC000826214273 607684074 /nfs/dbraw/zinc/68/40/74/607684074.db2.gz GPDJKDCFMIWWDP-OAHLLOKOSA-N -1 3 378.392 2.187 20 30 GEEDHM CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000827015586 604515205 /nfs/dbraw/zinc/51/52/05/604515205.db2.gz FEILYNUGISWJME-JSGCOSHPSA-N -1 3 375.450 2.283 20 30 GEEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000826380278 607733920 /nfs/dbraw/zinc/73/39/20/607733920.db2.gz UCDYEDYFYBJDFI-LBPRGKRZSA-N -1 3 377.286 2.088 20 30 GEEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000826380278 607733921 /nfs/dbraw/zinc/73/39/21/607733921.db2.gz UCDYEDYFYBJDFI-LBPRGKRZSA-N -1 3 377.286 2.088 20 30 GEEDHM N#C[C@@H](c1ccccc1)N1CCN(CCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822800909 606073324 /nfs/dbraw/zinc/07/33/24/606073324.db2.gz ARHMOPPEKIPDEO-FQEVSTJZSA-N -1 3 389.463 2.128 20 30 GEEDHM N#Cc1ccc(NC(=O)COC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000822829655 606144126 /nfs/dbraw/zinc/14/41/26/606144126.db2.gz BZHYHTRYQCLSTD-UHFFFAOYSA-N -1 3 396.794 2.116 20 30 GEEDHM N#Cc1ccc(NC(=O)COC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000822829655 606144127 /nfs/dbraw/zinc/14/41/27/606144127.db2.gz BZHYHTRYQCLSTD-UHFFFAOYSA-N -1 3 396.794 2.116 20 30 GEEDHM O=C(C=NOCc1cn2ccccc2c1-c1nnn[n-]1)Nc1cccc(F)c1 ZINC000822935788 606176432 /nfs/dbraw/zinc/17/64/32/606176432.db2.gz NNDFOUXDHVOMQE-UHFFFAOYSA-N -1 3 379.355 2.400 20 30 GEEDHM O=C(C=NOCc1cn2ccccc2c1-c1nn[n-]n1)Nc1cccc(F)c1 ZINC000822935788 606176433 /nfs/dbraw/zinc/17/64/33/606176433.db2.gz NNDFOUXDHVOMQE-UHFFFAOYSA-N -1 3 379.355 2.400 20 30 GEEDHM COc1ccc(NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000821835973 606205515 /nfs/dbraw/zinc/20/55/15/606205515.db2.gz VXLAFGNZKDNUPK-UHFFFAOYSA-N -1 3 377.430 2.396 20 30 GEEDHM COc1ccc(NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000821835973 606205517 /nfs/dbraw/zinc/20/55/17/606205517.db2.gz VXLAFGNZKDNUPK-UHFFFAOYSA-N -1 3 377.430 2.396 20 30 GEEDHM Cn1cc(C#N)cc1C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822669822 606219371 /nfs/dbraw/zinc/21/93/71/606219371.db2.gz RCXPJJQGHJSUFJ-UHFFFAOYSA-N -1 3 390.432 2.376 20 30 GEEDHM Cn1cc(C#N)cc1C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822669822 606219373 /nfs/dbraw/zinc/21/93/73/606219373.db2.gz RCXPJJQGHJSUFJ-UHFFFAOYSA-N -1 3 390.432 2.376 20 30 GEEDHM C#CCOc1cc(F)ccc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000819709941 606249580 /nfs/dbraw/zinc/24/95/80/606249580.db2.gz UKLOMSVDBGIKJO-CQSZACIVSA-N -1 3 398.423 2.297 20 30 GEEDHM C#CCOc1cc(F)ccc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000819709941 606249582 /nfs/dbraw/zinc/24/95/82/606249582.db2.gz UKLOMSVDBGIKJO-CQSZACIVSA-N -1 3 398.423 2.297 20 30 GEEDHM C=CCCCC(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000819734286 606264477 /nfs/dbraw/zinc/26/44/77/606264477.db2.gz KZMKLDLEUHSUEQ-UHFFFAOYSA-N -1 3 377.452 2.420 20 30 GEEDHM C=CCCCC(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000819734286 606264478 /nfs/dbraw/zinc/26/44/78/606264478.db2.gz KZMKLDLEUHSUEQ-UHFFFAOYSA-N -1 3 377.452 2.420 20 30 GEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000822622610 606407547 /nfs/dbraw/zinc/40/75/47/606407547.db2.gz FTUVHVRUJQJUAQ-JTQLQIEISA-N -1 3 382.334 2.440 20 30 GEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000822622610 606407550 /nfs/dbraw/zinc/40/75/50/606407550.db2.gz FTUVHVRUJQJUAQ-JTQLQIEISA-N -1 3 382.334 2.440 20 30 GEEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822801917 606432786 /nfs/dbraw/zinc/43/27/86/606432786.db2.gz QVYYDKAPUIKSAD-ZWKOTPCHSA-N -1 3 394.460 2.327 20 30 GEEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822801917 606432787 /nfs/dbraw/zinc/43/27/87/606432787.db2.gz QVYYDKAPUIKSAD-ZWKOTPCHSA-N -1 3 394.460 2.327 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822801598 606433041 /nfs/dbraw/zinc/43/30/41/606433041.db2.gz KRZWCAGXVKDIIC-QZTJIDSGSA-N -1 3 394.460 2.327 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822801598 606433043 /nfs/dbraw/zinc/43/30/43/606433043.db2.gz KRZWCAGXVKDIIC-QZTJIDSGSA-N -1 3 394.460 2.327 20 30 GEEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCCNc1ncccc1C#N ZINC000822204590 606460767 /nfs/dbraw/zinc/46/07/67/606460767.db2.gz UFBJKUMCZNCLNB-UHFFFAOYSA-N -1 3 389.398 2.075 20 30 GEEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCCNc1ncccc1C#N ZINC000822204590 606460769 /nfs/dbraw/zinc/46/07/69/606460769.db2.gz UFBJKUMCZNCLNB-UHFFFAOYSA-N -1 3 389.398 2.075 20 30 GEEDHM C#CCN(CC#C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1 ZINC000819698426 606503474 /nfs/dbraw/zinc/50/34/74/606503474.db2.gz ZVCGCRGHQRPMDP-UHFFFAOYSA-N -1 3 393.495 2.297 20 30 GEEDHM C#CCN(CC#C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCCC1 ZINC000819698426 606503476 /nfs/dbraw/zinc/50/34/76/606503476.db2.gz ZVCGCRGHQRPMDP-UHFFFAOYSA-N -1 3 393.495 2.297 20 30 GEEDHM N#Cc1cccc(OC2CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)c1 ZINC000822837000 606508538 /nfs/dbraw/zinc/50/85/38/606508538.db2.gz DQKBIELFRKGJSG-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM N#Cc1cccc(OC2CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)c1 ZINC000822837000 606508539 /nfs/dbraw/zinc/50/85/39/606508539.db2.gz DQKBIELFRKGJSG-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM N#CCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc2c(c1)OCCO2 ZINC000822805748 606570580 /nfs/dbraw/zinc/57/05/80/606570580.db2.gz BRGANLAPNLYTCD-UHFFFAOYSA-N -1 3 382.405 2.260 20 30 GEEDHM N#CCCN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc2c(c1)OCCO2 ZINC000822805748 606570582 /nfs/dbraw/zinc/57/05/82/606570582.db2.gz BRGANLAPNLYTCD-UHFFFAOYSA-N -1 3 382.405 2.260 20 30 GEEDHM N#Cc1ccc(CC(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000822826298 606595010 /nfs/dbraw/zinc/59/50/10/606595010.db2.gz WCICPDPUEQDOKE-UHFFFAOYSA-N -1 3 387.447 2.066 20 30 GEEDHM N#Cc1ccc(CC(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000822826298 606595012 /nfs/dbraw/zinc/59/50/12/606595012.db2.gz WCICPDPUEQDOKE-UHFFFAOYSA-N -1 3 387.447 2.066 20 30 GEEDHM N#Cc1ccnc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1[N+](=O)[O-] ZINC000822842756 606708516 /nfs/dbraw/zinc/70/85/16/606708516.db2.gz XFSJXSZQZBDNKZ-UHFFFAOYSA-N -1 3 392.379 2.089 20 30 GEEDHM N#Cc1ccnc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1[N+](=O)[O-] ZINC000822842756 606708517 /nfs/dbraw/zinc/70/85/17/606708517.db2.gz XFSJXSZQZBDNKZ-UHFFFAOYSA-N -1 3 392.379 2.089 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC000821648160 606756951 /nfs/dbraw/zinc/75/69/51/606756951.db2.gz CPRNESQIOPWBRM-OAHLLOKOSA-N -1 3 399.313 2.088 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC000821648160 606756953 /nfs/dbraw/zinc/75/69/53/606756953.db2.gz CPRNESQIOPWBRM-OAHLLOKOSA-N -1 3 399.313 2.088 20 30 GEEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000821119339 606807185 /nfs/dbraw/zinc/80/71/85/606807185.db2.gz XQMUHDIQTPHXPJ-UHFFFAOYSA-N -1 3 390.403 2.408 20 30 GEEDHM COc1ccc(C=CC(=O)c2cc(OC)c(O)cc2OC)cc1-c1nnn[n-]1 ZINC000821703248 606835916 /nfs/dbraw/zinc/83/59/16/606835916.db2.gz WKVYVXOWPYWUNU-XQRVVYSFSA-N -1 3 382.376 2.494 20 30 GEEDHM N#CCC(=O)Nc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822806884 606990464 /nfs/dbraw/zinc/99/04/64/606990464.db2.gz UQEHMPPUHPCMFO-UHFFFAOYSA-N -1 3 380.339 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2.373 20 30 GEEDHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(Br)n1 ZINC000826282409 607926908 /nfs/dbraw/zinc/92/69/08/607926908.db2.gz NRBABGZJUFXXKY-UHFFFAOYSA-N -1 3 384.197 2.457 20 30 GEEDHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(Br)n1 ZINC000826282409 607926909 /nfs/dbraw/zinc/92/69/09/607926909.db2.gz NRBABGZJUFXXKY-UHFFFAOYSA-N -1 3 384.197 2.457 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826385314 607951004 /nfs/dbraw/zinc/95/10/04/607951004.db2.gz GRISAAAREFSNFQ-GOSISDBHSA-N -1 3 385.431 2.296 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826385314 607951005 /nfs/dbraw/zinc/95/10/05/607951005.db2.gz GRISAAAREFSNFQ-GOSISDBHSA-N -1 3 385.431 2.296 20 30 GEEDHM C=C[C@@H](CC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC000823883612 607965588 /nfs/dbraw/zinc/96/55/88/607965588.db2.gz VODJNOZAUQVSBY-INIZCTEOSA-N -1 3 389.463 2.270 20 30 GEEDHM C=C[C@@H](CC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC000823883612 607965589 /nfs/dbraw/zinc/96/55/89/607965589.db2.gz VODJNOZAUQVSBY-INIZCTEOSA-N -1 3 389.463 2.270 20 30 GEEDHM C=C[C@@H](CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883591 607980905 /nfs/dbraw/zinc/98/09/05/607980905.db2.gz VAYANXXQOKPKIP-SCLBCKFNSA-N -1 3 377.404 2.296 20 30 GEEDHM C=C[C@@H](CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883591 607980906 /nfs/dbraw/zinc/98/09/06/607980906.db2.gz VAYANXXQOKPKIP-SCLBCKFNSA-N -1 3 377.404 2.296 20 30 GEEDHM N#Cc1ccc(OCCN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826386215 608066966 /nfs/dbraw/zinc/06/69/66/608066966.db2.gz UOJSUIQAMLRZQS-IBGZPJMESA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1ccc(OCCN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826386215 608066967 /nfs/dbraw/zinc/06/69/67/608066967.db2.gz UOJSUIQAMLRZQS-IBGZPJMESA-N -1 3 376.420 2.191 20 30 GEEDHM N#CCOc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826382326 608070393 /nfs/dbraw/zinc/07/03/93/608070393.db2.gz YTTJBXQTOKRMAR-IBGZPJMESA-N -1 3 376.420 2.343 20 30 GEEDHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCC[C@@](C)(C#N)C1 ZINC000824051730 608125472 /nfs/dbraw/zinc/12/54/72/608125472.db2.gz COIFGHCAYVJRQW-ZMZPIMSZSA-N -1 3 385.497 2.370 20 30 GEEDHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCC[C@@](C)(C#N)C1 ZINC000824051730 608125473 /nfs/dbraw/zinc/12/54/73/608125473.db2.gz COIFGHCAYVJRQW-ZMZPIMSZSA-N -1 3 385.497 2.370 20 30 GEEDHM C#CCOCCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823855976 608133333 /nfs/dbraw/zinc/13/33/33/608133333.db2.gz FSZRQJDGOWZIBM-UHFFFAOYSA-N -1 3 379.445 2.398 20 30 GEEDHM C#CCOCCNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823855976 608133334 /nfs/dbraw/zinc/13/33/34/608133334.db2.gz FSZRQJDGOWZIBM-UHFFFAOYSA-N -1 3 379.445 2.398 20 30 GEEDHM N#Cc1cc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384378 608161941 /nfs/dbraw/zinc/16/19/41/608161941.db2.gz SIURETPRGNOKCL-UHFFFAOYSA-N -1 3 399.754 2.317 20 30 GEEDHM N#Cc1cc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384378 608161942 /nfs/dbraw/zinc/16/19/42/608161942.db2.gz SIURETPRGNOKCL-UHFFFAOYSA-N -1 3 399.754 2.317 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000826170744 608346530 /nfs/dbraw/zinc/34/65/30/608346530.db2.gz NTJBJIUFQAQTLL-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000826170744 608346531 /nfs/dbraw/zinc/34/65/31/608346531.db2.gz NTJBJIUFQAQTLL-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM C=CCOc1cccnc1C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823932125 608457306 /nfs/dbraw/zinc/45/73/06/608457306.db2.gz PFGVNKKPDQOCOO-LBPRGKRZSA-N -1 3 394.391 2.011 20 30 GEEDHM C=CCOc1cccnc1C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823932125 608457308 /nfs/dbraw/zinc/45/73/08/608457308.db2.gz PFGVNKKPDQOCOO-LBPRGKRZSA-N -1 3 394.391 2.011 20 30 GEEDHM N#Cc1ccc(C2=CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384839 608478746 /nfs/dbraw/zinc/47/87/46/608478746.db2.gz LOKXDRGSIWDXKL-UHFFFAOYSA-N -1 3 385.431 2.466 20 30 GEEDHM N#Cc1ccc(OCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826385914 608486539 /nfs/dbraw/zinc/48/65/39/608486539.db2.gz HBXHDEAREISNMT-UHFFFAOYSA-N -1 3 386.415 2.433 20 30 GEEDHM N#Cc1ccc(OCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385914 608486541 /nfs/dbraw/zinc/48/65/41/608486541.db2.gz HBXHDEAREISNMT-UHFFFAOYSA-N -1 3 386.415 2.433 20 30 GEEDHM Cc1cc(N[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)nn1CCC#N ZINC000826270598 608490390 /nfs/dbraw/zinc/49/03/90/608490390.db2.gz GUZCDOYCNHUOSQ-NSHDSACASA-N -1 3 399.846 2.378 20 30 GEEDHM Cc1cc(N[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)nn1CCC#N ZINC000826270598 608490392 /nfs/dbraw/zinc/49/03/92/608490392.db2.gz GUZCDOYCNHUOSQ-NSHDSACASA-N -1 3 399.846 2.378 20 30 GEEDHM CCOc1nc2sccn2c1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825659113 608534311 /nfs/dbraw/zinc/53/43/11/608534311.db2.gz OKEHSMHQUKHKCT-UHFFFAOYSA-N -1 3 389.832 2.469 20 30 GEEDHM C=CCNC(=O)c1ccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000823926054 608567920 /nfs/dbraw/zinc/56/79/20/608567920.db2.gz XKVYBEZSJODDRX-UHFFFAOYSA-N -1 3 383.799 2.083 20 30 GEEDHM C=CCNC(=O)c1ccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000823926054 608567923 /nfs/dbraw/zinc/56/79/23/608567923.db2.gz XKVYBEZSJODDRX-UHFFFAOYSA-N -1 3 383.799 2.083 20 30 GEEDHM Cc1cc(C(=O)N(C[C@H](C)C#N)C2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257679 609164816 /nfs/dbraw/zinc/16/48/16/609164816.db2.gz LJEPSKCUBUBKAO-GFCCVEGCSA-N -1 3 376.424 2.125 20 30 GEEDHM Cc1cc(C(=O)N(C[C@H](C)C#N)C2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257679 609164817 /nfs/dbraw/zinc/16/48/17/609164817.db2.gz LJEPSKCUBUBKAO-GFCCVEGCSA-N -1 3 376.424 2.125 20 30 GEEDHM N#CCc1ccccc1CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826382597 609186955 /nfs/dbraw/zinc/18/69/55/609186955.db2.gz MBZWGNNLILYQJV-UHFFFAOYSA-N -1 3 384.403 2.300 20 30 GEEDHM CCN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825366620 609210942 /nfs/dbraw/zinc/21/09/42/609210942.db2.gz CPXOQWMSTJKBFD-UGSOOPFHSA-N -1 3 376.420 2.381 20 30 GEEDHM CCN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825366620 609210943 /nfs/dbraw/zinc/21/09/43/609210943.db2.gz CPXOQWMSTJKBFD-UGSOOPFHSA-N -1 3 376.420 2.381 20 30 GEEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823919675 609214376 /nfs/dbraw/zinc/21/43/76/609214376.db2.gz MRYSVKSWNQBNEW-KRWDZBQOSA-N -1 3 394.391 2.023 20 30 GEEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823919675 609214378 /nfs/dbraw/zinc/21/43/78/609214378.db2.gz MRYSVKSWNQBNEW-KRWDZBQOSA-N -1 3 394.391 2.023 20 30 GEEDHM CCCNc1ccc(C#N)cc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825332202 609236457 /nfs/dbraw/zinc/23/64/57/609236457.db2.gz FPTRELXFGBWOBL-QGZVFWFLSA-N -1 3 377.408 2.232 20 30 GEEDHM CCCNc1ccc(C#N)cc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825332202 609236459 /nfs/dbraw/zinc/23/64/59/609236459.db2.gz FPTRELXFGBWOBL-QGZVFWFLSA-N -1 3 377.408 2.232 20 30 GEEDHM COc1ccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000826209743 609277815 /nfs/dbraw/zinc/27/78/15/609277815.db2.gz OOFNYBSYVANYGK-UHFFFAOYSA-N -1 3 386.416 2.120 20 30 GEEDHM COc1ccc(NC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000826209743 609277817 /nfs/dbraw/zinc/27/78/17/609277817.db2.gz OOFNYBSYVANYGK-UHFFFAOYSA-N -1 3 386.416 2.120 20 30 GEEDHM COc1ccc(CNN=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826203464 609304157 /nfs/dbraw/zinc/30/41/57/609304157.db2.gz PIKKRHKUCOITIR-UHFFFAOYSA-N -1 3 388.435 2.400 20 30 GEEDHM COc1ccc(CNN=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826203464 609304159 /nfs/dbraw/zinc/30/41/59/609304159.db2.gz PIKKRHKUCOITIR-UHFFFAOYSA-N -1 3 388.435 2.400 20 30 GEEDHM C=C(C)CN(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1Cc1ccco1 ZINC000823878425 609370816 /nfs/dbraw/zinc/37/08/16/609370816.db2.gz YMYRBASOJQDSKH-UHFFFAOYSA-N -1 3 383.456 2.373 20 30 GEEDHM C=C(C)CN(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1Cc1ccco1 ZINC000823878425 609370817 /nfs/dbraw/zinc/37/08/17/609370817.db2.gz YMYRBASOJQDSKH-UHFFFAOYSA-N -1 3 383.456 2.373 20 30 GEEDHM Cn1cc(C=NN2Cc3ccccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360149 609373772 /nfs/dbraw/zinc/37/37/72/609373772.db2.gz ZBLKPFDKHNINCD-UHFFFAOYSA-N -1 3 384.403 2.257 20 30 GEEDHM Cn1cc(C=NN2Cc3ccccc3C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360149 609373775 /nfs/dbraw/zinc/37/37/75/609373775.db2.gz ZBLKPFDKHNINCD-UHFFFAOYSA-N -1 3 384.403 2.257 20 30 GEEDHM N#Cc1ccc(O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(F)c1 ZINC000826385976 609435885 /nfs/dbraw/zinc/43/58/85/609435885.db2.gz KDZSMMMWMYBDRY-KRWDZBQOSA-N -1 3 378.367 2.452 20 30 GEEDHM N#Cc1ccc(O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(F)c1 ZINC000826385976 609435886 /nfs/dbraw/zinc/43/58/86/609435886.db2.gz KDZSMMMWMYBDRY-KRWDZBQOSA-N -1 3 378.367 2.452 20 30 GEEDHM CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825975929 609536650 /nfs/dbraw/zinc/53/66/50/609536650.db2.gz BNZOSEHOMUYVKC-UHFFFAOYSA-N -1 3 388.840 2.212 20 30 GEEDHM CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825975929 609536653 /nfs/dbraw/zinc/53/66/53/609536653.db2.gz BNZOSEHOMUYVKC-UHFFFAOYSA-N -1 3 388.840 2.212 20 30 GEEDHM Cc1c(Cl)cnc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1C#N ZINC000826237891 609545182 /nfs/dbraw/zinc/54/51/82/609545182.db2.gz OZYCABCFODIEJD-UHFFFAOYSA-N -1 3 380.843 2.422 20 30 GEEDHM Cc1c(Cl)cnc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1C#N ZINC000826237891 609545184 /nfs/dbraw/zinc/54/51/84/609545184.db2.gz OZYCABCFODIEJD-UHFFFAOYSA-N -1 3 380.843 2.422 20 30 GEEDHM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824469596 609587850 /nfs/dbraw/zinc/58/78/50/609587850.db2.gz APEOXINQWNGHAN-BUXKBTBVSA-N -1 3 384.440 2.306 20 30 GEEDHM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824469596 609587851 /nfs/dbraw/zinc/58/78/51/609587851.db2.gz APEOXINQWNGHAN-BUXKBTBVSA-N -1 3 384.440 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650649635 /nfs/dbraw/zinc/64/96/35/650649635.db2.gz OEHAAAYZBUKDFX-NSHDSACASA-N -1 3 382.265 2.324 20 30 GEEDHM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000531754660 650743988 /nfs/dbraw/zinc/74/39/88/650743988.db2.gz FAKWLLYFISFPHI-JTQLQIEISA-N -1 3 379.825 2.223 20 30 GEEDHM C#CCCN1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000112633056 643368010 /nfs/dbraw/zinc/36/80/10/643368010.db2.gz XYKLEKKIYZNFGM-UHFFFAOYSA-N -1 3 388.265 2.072 20 30 GEEDHM CN(CCC#N)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000151280392 643934538 /nfs/dbraw/zinc/93/45/38/643934538.db2.gz ZPPKXJCYBQCGNN-UHFFFAOYSA-N -1 3 381.173 2.118 20 30 GEEDHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(Br)cc(C#N)c2)n1 ZINC000153963151 644012891 /nfs/dbraw/zinc/01/28/91/644012891.db2.gz NXYKHIFUGKOHHW-UHFFFAOYSA-N -1 3 382.243 2.033 20 30 GEEDHM CCN(CCC#N)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000267891690 645931573 /nfs/dbraw/zinc/93/15/73/645931573.db2.gz UTXVGJVFRKYEID-UHFFFAOYSA-N -1 3 378.281 2.424 20 30 GEEDHM 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GEEDHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)s1 ZINC000610510865 651666391 /nfs/dbraw/zinc/66/63/91/651666391.db2.gz DSPZLDKPBBBLFS-SNVBAGLBSA-N -1 3 380.447 2.454 20 30 GEEDHM N#CCN1CCC(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000618209303 651996977 /nfs/dbraw/zinc/99/69/77/651996977.db2.gz JRVQNZRIQSEFHE-UHFFFAOYSA-N -1 3 389.253 2.008 20 30 GEEDHM O=C(CCNC(=O)C1N=CC=CC1=O)Nc1ccc(Br)cc1[O-] ZINC000746125364 652096216 /nfs/dbraw/zinc/09/62/16/652096216.db2.gz GNEKOAODOPLNRY-CCEZHUSRSA-N -1 3 380.198 2.010 20 30 GEEDHM C[C@@H](CC(=O)OCC1CCSCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000747156215 652145420 /nfs/dbraw/zinc/14/54/20/652145420.db2.gz SRJBBRBOVBTRNE-LBPRGKRZSA-N -1 3 382.507 2.190 20 30 GEEDHM CCc1ncsc1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000747481826 652166403 /nfs/dbraw/zinc/16/64/03/652166403.db2.gz IBMRKFVSTOQNCV-JTQLQIEISA-N -1 3 378.479 2.161 20 30 GEEDHM N#Cc1ccc(COC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c(F)c1 ZINC000750215618 652286791 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C[C@H](CC(=O)OCc1ncc(Cl)s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000772162095 653141220 /nfs/dbraw/zinc/14/12/20/653141220.db2.gz OFDZCAZQVLNUED-SECBINFHSA-N -1 3 399.881 2.357 20 30 GEEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000773060338 653178065 /nfs/dbraw/zinc/17/80/65/653178065.db2.gz XZJJJXQIRAEIIE-OLZOCXBDSA-N -1 3 392.260 2.239 20 30 GEEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)c1ccc(F)cc1 ZINC000812527508 653434209 /nfs/dbraw/zinc/43/42/09/653434209.db2.gz UIINKHCPPZBWSO-GFCCVEGCSA-N -1 3 382.800 2.314 20 30 GEEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000859424472 653462298 /nfs/dbraw/zinc/46/22/98/653462298.db2.gz SHLKEDBGWVOQCH-SNVBAGLBSA-N -1 3 394.262 2.304 20 30 GEEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000859425736 653462842 /nfs/dbraw/zinc/46/28/42/653462842.db2.gz KYUZLQJLXQJUCZ-LLVKDONJSA-N -1 3 376.837 2.144 20 30 GEEDHM C=CCOCCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000780032955 653619221 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C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)c1 ZINC000866549622 653801815 /nfs/dbraw/zinc/80/18/15/653801815.db2.gz XIWGFPCVQZYVLI-AWEZNQCLSA-N -1 3 375.277 2.110 20 30 GEEDHM Cc1cccc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c1[O-] ZINC000791170748 653804363 /nfs/dbraw/zinc/80/43/63/653804363.db2.gz BSBUQNHLADGXKD-UHFFFAOYSA-N -1 3 376.210 2.497 20 30 GEEDHM O=C1[C@@H](NCc2ncc(Br)cc2Br)CCCN1[O-] ZINC000895159775 653821004 /nfs/dbraw/zinc/82/10/04/653821004.db2.gz ICBMGBLKRZWNOX-VIFPVBQESA-N -1 3 379.052 2.076 20 30 GEEDHM O=C1[C@@H](NCc2c(Br)cncc2Br)CCCN1[O-] ZINC000895160050 653821204 /nfs/dbraw/zinc/82/12/04/653821204.db2.gz ZUJDCSOTWPOVGD-JTQLQIEISA-N -1 3 379.052 2.076 20 30 GEEDHM CCOCCOc1ccc(Br)cc1CN[C@H]1CCCN([O-])C1=O ZINC000895167172 653821634 /nfs/dbraw/zinc/82/16/34/653821634.db2.gz VGAICEJUEZGMHJ-AWEZNQCLSA-N -1 3 387.274 2.334 20 30 GEEDHM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)c1Br ZINC000867202317 653893522 /nfs/dbraw/zinc/89/35/22/653893522.db2.gz 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GEEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000539386029 532729509 /nfs/dbraw/zinc/72/95/09/532729509.db2.gz WWRAXZAQVWDESW-SNVBAGLBSA-N -1 3 375.468 2.344 20 30 GEEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1nncn1C ZINC000286524256 532753336 /nfs/dbraw/zinc/75/33/36/532753336.db2.gz BDIDCENHOQYVLT-ZDUSSCGKSA-N -1 3 398.286 2.125 20 30 GEEDHM C=C(C)[C@@H](CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)OCC ZINC000270045152 532793451 /nfs/dbraw/zinc/79/34/51/532793451.db2.gz PNDCJJSIQLMAIP-OAHLLOKOSA-N -1 3 386.539 2.389 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCS3(=O)=O)c(Cl)c1 ZINC000542799896 532780716 /nfs/dbraw/zinc/78/07/16/532780716.db2.gz LJXDJRQMVPJJRV-UHFFFAOYSA-N -1 3 396.877 2.020 20 30 GEEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[C@H]1n1cccn1 ZINC000550024563 532797274 /nfs/dbraw/zinc/79/72/74/532797274.db2.gz LBWKQLQFNQRRCX-IIAWOOMASA-N -1 3 380.857 2.105 20 30 GEEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@H]1OC ZINC000274726902 532855391 /nfs/dbraw/zinc/85/53/91/532855391.db2.gz FWPPABSCKMBYJO-YRGRVCCFSA-N -1 3 378.372 2.048 20 30 GEEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000291012992 532894882 /nfs/dbraw/zinc/89/48/82/532894882.db2.gz WMTWQXFMHFVCBN-HNNXBMFYSA-N -1 3 398.282 2.304 20 30 GEEDHM C[C@H](CC#N)N(C)S(=O)(=O)[N-]Cc1noc(-c2ccc(Cl)cc2F)n1 ZINC000369319315 532938412 /nfs/dbraw/zinc/93/84/12/532938412.db2.gz MGVKTTFBXYZYJJ-SECBINFHSA-N -1 3 387.824 2.097 20 30 GEEDHM CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000736310154 598823348 /nfs/dbraw/zinc/82/33/48/598823348.db2.gz VJRWFJQLLLRAGH-INIZCTEOSA-N -1 3 392.419 2.486 20 30 GEEDHM CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000736310154 598823349 /nfs/dbraw/zinc/82/33/49/598823349.db2.gz VJRWFJQLLLRAGH-INIZCTEOSA-N -1 3 392.419 2.486 20 30 GEEDHM C#CCCNC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000735375409 598854974 /nfs/dbraw/zinc/85/49/74/598854974.db2.gz KPQZEHKQXILRCL-UHFFFAOYSA-N -1 3 390.403 2.045 20 30 GEEDHM C#CCCNC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000735375409 598854975 /nfs/dbraw/zinc/85/49/75/598854975.db2.gz KPQZEHKQXILRCL-UHFFFAOYSA-N -1 3 390.403 2.045 20 30 GEEDHM COC(=O)[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736896751 598896012 /nfs/dbraw/zinc/89/60/12/598896012.db2.gz JUBCGWIDQULHFE-DOJUMQAQSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736896751 598896013 /nfs/dbraw/zinc/89/60/13/598896013.db2.gz JUBCGWIDQULHFE-DOJUMQAQSA-N -1 3 389.371 2.209 20 30 GEEDHM CC(=O)N[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccs1 ZINC000735476324 598914575 /nfs/dbraw/zinc/91/45/75/598914575.db2.gz UGDDNOUSEGMGEW-CQSZACIVSA-N -1 3 381.421 2.006 20 30 GEEDHM CC(=O)N[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccs1 ZINC000735476324 598914576 /nfs/dbraw/zinc/91/45/76/598914576.db2.gz UGDDNOUSEGMGEW-CQSZACIVSA-N -1 3 381.421 2.006 20 30 GEEDHM COc1cccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1OC ZINC000737130535 598915005 /nfs/dbraw/zinc/91/50/05/598915005.db2.gz FPGYHPKWNVBBQC-UHFFFAOYSA-N -1 3 378.392 2.327 20 30 GEEDHM COc1cccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1OC ZINC000737130535 598915008 /nfs/dbraw/zinc/91/50/08/598915008.db2.gz FPGYHPKWNVBBQC-UHFFFAOYSA-N -1 3 378.392 2.327 20 30 GEEDHM CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735724586 598916403 /nfs/dbraw/zinc/91/64/03/598916403.db2.gz MVCHGPQEPJPXDE-HNNXBMFYSA-N -1 3 395.448 2.193 20 30 GEEDHM CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735724586 598916404 /nfs/dbraw/zinc/91/64/04/598916404.db2.gz MVCHGPQEPJPXDE-HNNXBMFYSA-N -1 3 395.448 2.193 20 30 GEEDHM N#Cc1cc(NC(=O)CCc2nnc(-c3ccsc3)o2)ccc1-c1nnn[n-]1 ZINC000737709202 598921508 /nfs/dbraw/zinc/92/15/08/598921508.db2.gz LHNRGSXKHJEZIP-UHFFFAOYSA-N -1 3 392.404 2.421 20 30 GEEDHM N#Cc1cc(NC(=O)CCc2nnc(-c3ccsc3)o2)ccc1-c1nn[n-]n1 ZINC000737709202 598921510 /nfs/dbraw/zinc/92/15/10/598921510.db2.gz LHNRGSXKHJEZIP-UHFFFAOYSA-N -1 3 392.404 2.421 20 30 GEEDHM N#Cc1cc2c(nc1S[C@@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC000737710723 599013386 /nfs/dbraw/zinc/01/33/86/599013386.db2.gz VYYAYZLGBSBSNE-MRXNPFEDSA-N -1 3 391.460 2.331 20 30 GEEDHM N#Cc1cc2c(nc1S[C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000737710723 599013388 /nfs/dbraw/zinc/01/33/88/599013388.db2.gz VYYAYZLGBSBSNE-MRXNPFEDSA-N -1 3 391.460 2.331 20 30 GEEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000735451262 599032722 /nfs/dbraw/zinc/03/27/22/599032722.db2.gz VVXCQUCBDVJVDD-UHFFFAOYSA-N -1 3 397.464 2.243 20 30 GEEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000735451262 599032724 /nfs/dbraw/zinc/03/27/24/599032724.db2.gz VVXCQUCBDVJVDD-UHFFFAOYSA-N -1 3 397.464 2.243 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735381698 599092776 /nfs/dbraw/zinc/09/27/76/599092776.db2.gz PHZZYUKDKBNKFR-LBPRGKRZSA-N -1 3 381.367 2.424 20 30 GEEDHM COCCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988400 599113397 /nfs/dbraw/zinc/11/33/97/599113397.db2.gz LKBSTAZOIHRLSF-CQSZACIVSA-N -1 3 392.419 2.185 20 30 GEEDHM COCCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988400 599113400 /nfs/dbraw/zinc/11/34/00/599113400.db2.gz LKBSTAZOIHRLSF-CQSZACIVSA-N -1 3 392.419 2.185 20 30 GEEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCN(c2ncccc2C#N)CC1 ZINC000737409343 599121787 /nfs/dbraw/zinc/12/17/87/599121787.db2.gz MRWUTSDUDZQLGW-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCN(c2ncccc2C#N)CC1 ZINC000737409343 599121789 /nfs/dbraw/zinc/12/17/89/599121789.db2.gz MRWUTSDUDZQLGW-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000737716336 599194904 /nfs/dbraw/zinc/19/49/04/599194904.db2.gz PFCPWOPJNYWIDL-HOCLYGCPSA-N -1 3 388.387 2.252 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1-c1nn[n-]n1 ZINC000737716336 599194906 /nfs/dbraw/zinc/19/49/06/599194906.db2.gz PFCPWOPJNYWIDL-HOCLYGCPSA-N -1 3 388.387 2.252 20 30 GEEDHM COC(=O)c1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736950649 599199855 /nfs/dbraw/zinc/19/98/55/599199855.db2.gz KGIAGGHXDYBDBO-UHFFFAOYSA-N -1 3 376.376 2.096 20 30 GEEDHM COC(=O)c1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736950649 599199857 /nfs/dbraw/zinc/19/98/57/599199857.db2.gz KGIAGGHXDYBDBO-UHFFFAOYSA-N -1 3 376.376 2.096 20 30 GEEDHM Cc1c(C#N)cccc1NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822015499 607282989 /nfs/dbraw/zinc/28/29/89/607282989.db2.gz KZJAWISAVMNEPB-UHFFFAOYSA-N -1 3 388.435 2.401 20 30 GEEDHM Cc1c(C#N)cccc1NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822015499 607282990 /nfs/dbraw/zinc/28/29/90/607282990.db2.gz KZJAWISAVMNEPB-UHFFFAOYSA-N -1 3 388.435 2.401 20 30 GEEDHM N#Cc1cccc(OC2CCN(C(=O)c3sccc3-c3nnn[n-]3)CC2)c1 ZINC000737730429 598238629 /nfs/dbraw/zinc/23/86/29/598238629.db2.gz KRQRDXJRNNZQAH-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM N#Cc1cccc(OC2CCN(C(=O)c3sccc3-c3nn[n-]n3)CC2)c1 ZINC000737730429 598238631 /nfs/dbraw/zinc/23/86/31/598238631.db2.gz KRQRDXJRNNZQAH-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM N#Cc1ccc(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737710478 598297617 /nfs/dbraw/zinc/29/76/17/598297617.db2.gz AMMUESCSNUOEAO-GOSISDBHSA-N -1 3 391.410 2.163 20 30 GEEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000735428248 598311821 /nfs/dbraw/zinc/31/18/21/598311821.db2.gz JPPODYVHQDXXPL-CYBMUJFWSA-N -1 3 377.404 2.381 20 30 GEEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735428248 598311823 /nfs/dbraw/zinc/31/18/23/598311823.db2.gz JPPODYVHQDXXPL-CYBMUJFWSA-N -1 3 377.404 2.381 20 30 GEEDHM C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735374874 598327741 /nfs/dbraw/zinc/32/77/41/598327741.db2.gz NYTMMPJOIJUHLZ-UHFFFAOYSA-N -1 3 382.374 2.490 20 30 GEEDHM C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735374874 598327742 /nfs/dbraw/zinc/32/77/42/598327742.db2.gz NYTMMPJOIJUHLZ-UHFFFAOYSA-N -1 3 382.374 2.490 20 30 GEEDHM C=CCn1c(SC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)nnc1C1CC1 ZINC000735450507 598365581 /nfs/dbraw/zinc/36/55/81/598365581.db2.gz ZLXYFRRXZPFORL-CQSZACIVSA-N -1 3 399.480 2.054 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000737022713 598382945 /nfs/dbraw/zinc/38/29/45/598382945.db2.gz AKCRAULUZOQRSG-AWEZNQCLSA-N -1 3 398.810 2.289 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000737022713 598382946 /nfs/dbraw/zinc/38/29/46/598382946.db2.gz AKCRAULUZOQRSG-AWEZNQCLSA-N -1 3 398.810 2.289 20 30 GEEDHM N#Cc1c(F)cccc1N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000737704162 598390272 /nfs/dbraw/zinc/39/02/72/598390272.db2.gz DJPBISYSNRLPHI-UHFFFAOYSA-N -1 3 384.806 2.252 20 30 GEEDHM N#Cc1c(F)cccc1N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000737704162 598390273 /nfs/dbraw/zinc/39/02/73/598390273.db2.gz DJPBISYSNRLPHI-UHFFFAOYSA-N -1 3 384.806 2.252 20 30 GEEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(=O)c1cc(F)ccc1F ZINC000736189626 598392106 /nfs/dbraw/zinc/39/21/06/598392106.db2.gz ARZLWAILZQMZLV-SSDOTTSWSA-N -1 3 387.375 2.357 20 30 GEEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)C(=O)c1cc(F)ccc1F ZINC000736189626 598392107 /nfs/dbraw/zinc/39/21/07/598392107.db2.gz ARZLWAILZQMZLV-SSDOTTSWSA-N -1 3 387.375 2.357 20 30 GEEDHM C#CCOc1cccc(OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735387787 598422062 /nfs/dbraw/zinc/42/20/62/598422062.db2.gz FZLABIOJDUDYQN-IBGZPJMESA-N -1 3 389.415 2.453 20 30 GEEDHM CCOc1ccc(O)c(C=NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000736645957 598439312 /nfs/dbraw/zinc/43/93/12/598439312.db2.gz BKDMTLZIRYWNGE-BKUYFWCQSA-N -1 3 393.451 2.454 20 30 GEEDHM CCOc1ccc(O)c(C=NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000736645957 598439313 /nfs/dbraw/zinc/43/93/13/598439313.db2.gz BKDMTLZIRYWNGE-BKUYFWCQSA-N -1 3 393.451 2.454 20 30 GEEDHM CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735875161 598506363 /nfs/dbraw/zinc/50/63/63/598506363.db2.gz ZVOCQAYPOSBCBK-UHFFFAOYSA-N -1 3 396.476 2.479 20 30 GEEDHM CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735875161 598506366 /nfs/dbraw/zinc/50/63/66/598506366.db2.gz ZVOCQAYPOSBCBK-UHFFFAOYSA-N -1 3 396.476 2.479 20 30 GEEDHM C=CCN(CCc1ccccc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735418861 598506624 /nfs/dbraw/zinc/50/66/24/598506624.db2.gz KPAVIDUGJFRUOH-UHFFFAOYSA-N -1 3 383.477 2.427 20 30 GEEDHM C=CCN(CCc1ccccc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735418861 598506625 /nfs/dbraw/zinc/50/66/25/598506625.db2.gz KPAVIDUGJFRUOH-UHFFFAOYSA-N -1 3 383.477 2.427 20 30 GEEDHM CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736817219 598577476 /nfs/dbraw/zinc/57/74/76/598577476.db2.gz UURDIAKBCYLDIA-IBGZPJMESA-N -1 3 387.447 2.366 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737717318 598582423 /nfs/dbraw/zinc/58/24/23/598582423.db2.gz BZZXUMAPFHWFFS-KRWDZBQOSA-N -1 3 377.383 2.485 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737717318 598582424 /nfs/dbraw/zinc/58/24/24/598582424.db2.gz BZZXUMAPFHWFFS-KRWDZBQOSA-N -1 3 377.383 2.485 20 30 GEEDHM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735418933 598639907 /nfs/dbraw/zinc/63/99/07/598639907.db2.gz LUILUUYGNRQUNH-UHFFFAOYSA-N -1 3 394.410 2.202 20 30 GEEDHM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735418933 598639909 /nfs/dbraw/zinc/63/99/09/598639909.db2.gz LUILUUYGNRQUNH-UHFFFAOYSA-N -1 3 394.410 2.202 20 30 GEEDHM N#Cc1cccc(OCCOC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737730666 598713790 /nfs/dbraw/zinc/71/37/90/598713790.db2.gz PAZASHRPBSVMBU-UHFFFAOYSA-N -1 3 381.417 2.453 20 30 GEEDHM N#Cc1cccc(OCCOC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737730666 598713792 /nfs/dbraw/zinc/71/37/92/598713792.db2.gz PAZASHRPBSVMBU-UHFFFAOYSA-N -1 3 381.417 2.453 20 30 GEEDHM C=CCN(CC1CCCCC1)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000735416861 598760617 /nfs/dbraw/zinc/76/06/17/598760617.db2.gz RVVCVNMNHCOKKN-UHFFFAOYSA-N -1 3 384.488 2.452 20 30 GEEDHM C=CCN(CC1CCCCC1)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000735416861 598760619 /nfs/dbraw/zinc/76/06/19/598760619.db2.gz RVVCVNMNHCOKKN-UHFFFAOYSA-N -1 3 384.488 2.452 20 30 GEEDHM N#Cc1ccccc1CSCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822842685 599311612 /nfs/dbraw/zinc/31/16/12/599311612.db2.gz UFRIJZWGHKUUCJ-UHFFFAOYSA-N -1 3 382.409 2.387 20 30 GEEDHM N#Cc1ccccc1CSCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822842685 599311615 /nfs/dbraw/zinc/31/16/15/599311615.db2.gz UFRIJZWGHKUUCJ-UHFFFAOYSA-N -1 3 382.409 2.387 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(-n2cccn2)ccn1 ZINC000735421424 599373053 /nfs/dbraw/zinc/37/30/53/599373053.db2.gz ZHLHMAHGWMIFKI-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(-n2cccn2)ccn1 ZINC000735421424 599373056 /nfs/dbraw/zinc/37/30/56/599373056.db2.gz ZHLHMAHGWMIFKI-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM Cc1ccccc1NC(=S)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737436307 599456653 /nfs/dbraw/zinc/45/66/53/599456653.db2.gz RIIYUMOGHUTILI-UHFFFAOYSA-N -1 3 377.437 2.143 20 30 GEEDHM Cc1ccccc1NC(=S)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737436307 599456655 /nfs/dbraw/zinc/45/66/55/599456655.db2.gz RIIYUMOGHUTILI-UHFFFAOYSA-N -1 3 377.437 2.143 20 30 GEEDHM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1N1CCC(O)CC1 ZINC000822823585 599460826 /nfs/dbraw/zinc/46/08/26/599460826.db2.gz SQIYBUOCCWCNPR-UHFFFAOYSA-N -1 3 375.436 2.312 20 30 GEEDHM N#Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1N1CCC(O)CC1 ZINC000822823585 599460829 /nfs/dbraw/zinc/46/08/29/599460829.db2.gz SQIYBUOCCWCNPR-UHFFFAOYSA-N -1 3 375.436 2.312 20 30 GEEDHM COc1cc(C)cc2c1OCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000737041542 599463095 /nfs/dbraw/zinc/46/30/95/599463095.db2.gz WHJSBBLGYDTETK-NTUHNPAUSA-N -1 3 388.387 2.490 20 30 GEEDHM COc1cc(C)cc2c1OCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000737041542 599463097 /nfs/dbraw/zinc/46/30/97/599463097.db2.gz WHJSBBLGYDTETK-NTUHNPAUSA-N -1 3 388.387 2.490 20 30 GEEDHM O=C1C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)COc2c(F)cc(F)cc21 ZINC000738288295 599463868 /nfs/dbraw/zinc/46/38/68/599463868.db2.gz BMTXGLZZDDXOFY-KMKOMSMNSA-N -1 3 380.314 2.451 20 30 GEEDHM O=C1C(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)COc2c(F)cc(F)cc21 ZINC000738288295 599463871 /nfs/dbraw/zinc/46/38/71/599463871.db2.gz BMTXGLZZDDXOFY-KMKOMSMNSA-N -1 3 380.314 2.451 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccc(C#N)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117749 607381000 /nfs/dbraw/zinc/38/10/00/607381000.db2.gz RDCRZXGHWHCCBG-MRXNPFEDSA-N -1 3 377.360 2.118 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccc(C#N)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117749 607381002 /nfs/dbraw/zinc/38/10/02/607381002.db2.gz RDCRZXGHWHCCBG-MRXNPFEDSA-N -1 3 377.360 2.118 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000826252850 607381612 /nfs/dbraw/zinc/38/16/12/607381612.db2.gz VBJINQXGBZRLGC-UHFFFAOYSA-N -1 3 387.359 2.454 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000826252850 607381613 /nfs/dbraw/zinc/38/16/13/607381613.db2.gz VBJINQXGBZRLGC-UHFFFAOYSA-N -1 3 387.359 2.454 20 30 GEEDHM COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821703258 599512633 /nfs/dbraw/zinc/51/26/33/599512633.db2.gz WYKIAHRXPVASNI-GFCCVEGCSA-N -1 3 378.392 2.003 20 30 GEEDHM COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821703258 599512634 /nfs/dbraw/zinc/51/26/34/599512634.db2.gz WYKIAHRXPVASNI-GFCCVEGCSA-N -1 3 378.392 2.003 20 30 GEEDHM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000819933662 599631633 /nfs/dbraw/zinc/63/16/33/599631633.db2.gz YZCAWKOFQGGFMG-RISCZKNCSA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000819933662 599631634 /nfs/dbraw/zinc/63/16/34/599631634.db2.gz YZCAWKOFQGGFMG-RISCZKNCSA-N -1 3 397.439 2.370 20 30 GEEDHM C#CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819709273 599664420 /nfs/dbraw/zinc/66/44/20/599664420.db2.gz AJLPYSMTZQAABT-CYBMUJFWSA-N -1 3 391.387 2.063 20 30 GEEDHM C#CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819709273 599664421 /nfs/dbraw/zinc/66/44/21/599664421.db2.gz AJLPYSMTZQAABT-CYBMUJFWSA-N -1 3 391.387 2.063 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cc1ccc(OCC#N)cc1 ZINC000821742059 607416963 /nfs/dbraw/zinc/41/69/63/607416963.db2.gz YFMANQKYNRKMOC-UHFFFAOYSA-N -1 3 379.376 2.064 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cc1ccc(OCC#N)cc1 ZINC000821742059 607416964 /nfs/dbraw/zinc/41/69/64/607416964.db2.gz YFMANQKYNRKMOC-UHFFFAOYSA-N -1 3 379.376 2.064 20 30 GEEDHM N#Cc1ccc([C@@H](NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)[O-])cc1 ZINC000739107678 600595009 /nfs/dbraw/zinc/59/50/09/600595009.db2.gz SIQCDMKRPCCUFA-LJQANCHMSA-N -1 3 399.472 2.258 20 30 GEEDHM COc1ccc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)cc1-c1nnn[n-]1 ZINC000826199399 607460441 /nfs/dbraw/zinc/46/04/41/607460441.db2.gz XTSBLSGDTYCETL-UHFFFAOYSA-N -1 3 389.419 2.235 20 30 GEEDHM COc1ccc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)cc1-c1nn[n-]n1 ZINC000826199399 607460442 /nfs/dbraw/zinc/46/04/42/607460442.db2.gz XTSBLSGDTYCETL-UHFFFAOYSA-N -1 3 389.419 2.235 20 30 GEEDHM CN(C)C(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821578090 607459699 /nfs/dbraw/zinc/45/96/99/607459699.db2.gz NHFFBKJEBVSFKY-CMDGGOBGSA-N -1 3 395.394 2.369 20 30 GEEDHM CN(C)C(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821578090 607459700 /nfs/dbraw/zinc/45/97/00/607459700.db2.gz NHFFBKJEBVSFKY-CMDGGOBGSA-N -1 3 395.394 2.369 20 30 GEEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNC(=S)NCCc1cccs1 ZINC000822740829 607464012 /nfs/dbraw/zinc/46/40/12/607464012.db2.gz OGOKELFERZIASX-UHFFFAOYSA-N -1 3 375.458 2.108 20 30 GEEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNC(=S)NCCc1cccs1 ZINC000822740829 607464014 /nfs/dbraw/zinc/46/40/14/607464014.db2.gz OGOKELFERZIASX-UHFFFAOYSA-N -1 3 375.458 2.108 20 30 GEEDHM COc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000821835476 607465298 /nfs/dbraw/zinc/46/52/98/607465298.db2.gz LLXURFKIRMIXAO-UHFFFAOYSA-N -1 3 389.391 2.474 20 30 GEEDHM COc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000821835476 607465300 /nfs/dbraw/zinc/46/53/00/607465300.db2.gz LLXURFKIRMIXAO-UHFFFAOYSA-N -1 3 389.391 2.474 20 30 GEEDHM Clc1ccccc1C#CCN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826353454 607480542 /nfs/dbraw/zinc/48/05/42/607480542.db2.gz PVUQQYDZVZZEGJ-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM Clc1ccccc1C#CCN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826353454 607480544 /nfs/dbraw/zinc/48/05/44/607480544.db2.gz PVUQQYDZVZZEGJ-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM N#CCOc1ccccc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833067932 601740972 /nfs/dbraw/zinc/74/09/72/601740972.db2.gz KIVFYSVHEDEZBY-QFIPXVFZSA-N -1 3 393.443 2.438 20 30 GEEDHM N#Cc1cc(F)ccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826384249 607580928 /nfs/dbraw/zinc/58/09/28/607580928.db2.gz NBUGTOXOBZSHHX-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1cc(F)ccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826384249 607580930 /nfs/dbraw/zinc/58/09/30/607580930.db2.gz NBUGTOXOBZSHHX-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825399048 607597394 /nfs/dbraw/zinc/59/73/94/607597394.db2.gz HGPHGUCQPPNOIH-SECBINFHSA-N -1 3 388.375 2.056 20 30 GEEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825107189 607608472 /nfs/dbraw/zinc/60/84/72/607608472.db2.gz NDHJGIAYYZBNCY-UHFFFAOYSA-N -1 3 380.449 2.346 20 30 GEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000826358509 607770438 /nfs/dbraw/zinc/77/04/38/607770438.db2.gz WVNZYYHSXAAUFC-UHFFFAOYSA-N -1 3 376.405 2.453 20 30 GEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000826358509 607770439 /nfs/dbraw/zinc/77/04/39/607770439.db2.gz WVNZYYHSXAAUFC-UHFFFAOYSA-N -1 3 376.405 2.453 20 30 GEEDHM C=C(C)COc1cc(CN2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])ccc1OC ZINC000833369271 605727622 /nfs/dbraw/zinc/72/76/22/605727622.db2.gz NWWGHLJUZQYQQK-HOTGVXAUSA-N -1 3 377.437 2.488 20 30 GEEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000822801113 606071653 /nfs/dbraw/zinc/07/16/53/606071653.db2.gz DVQZYVQRERQHJE-IBGZPJMESA-N -1 3 377.427 2.388 20 30 GEEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000822801113 606071655 /nfs/dbraw/zinc/07/16/55/606071655.db2.gz DVQZYVQRERQHJE-IBGZPJMESA-N -1 3 377.427 2.388 20 30 GEEDHM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820252765 606148881 /nfs/dbraw/zinc/14/88/81/606148881.db2.gz DIFAFTOHPNLPEC-LLVKDONJSA-N -1 3 385.428 2.180 20 30 GEEDHM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820252765 606148883 /nfs/dbraw/zinc/14/88/83/606148883.db2.gz DIFAFTOHPNLPEC-LLVKDONJSA-N -1 3 385.428 2.180 20 30 GEEDHM Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(C)CCC#N)c1-c1nnn[n-]1 ZINC000822016088 606198281 /nfs/dbraw/zinc/19/82/81/606198281.db2.gz UUOXCMMLYPYBFQ-UHFFFAOYSA-N -1 3 396.430 2.197 20 30 GEEDHM Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(C)CCC#N)c1-c1nn[n-]n1 ZINC000822016088 606198283 /nfs/dbraw/zinc/19/82/83/606198283.db2.gz UUOXCMMLYPYBFQ-UHFFFAOYSA-N -1 3 396.430 2.197 20 30 GEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000822623407 606229636 /nfs/dbraw/zinc/22/96/36/606229636.db2.gz VXMVGIKWYBJNDK-UHFFFAOYSA-N -1 3 389.341 2.282 20 30 GEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F ZINC000822623407 606229638 /nfs/dbraw/zinc/22/96/38/606229638.db2.gz VXMVGIKWYBJNDK-UHFFFAOYSA-N -1 3 389.341 2.282 20 30 GEEDHM N#Cc1cnn(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)c1N ZINC000822842471 606262781 /nfs/dbraw/zinc/26/27/81/606262781.db2.gz JVEDBYLAAYGTAV-UHFFFAOYSA-N -1 3 388.416 2.357 20 30 GEEDHM N#Cc1cnn(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)c1N ZINC000822842471 606262783 /nfs/dbraw/zinc/26/27/83/606262783.db2.gz JVEDBYLAAYGTAV-UHFFFAOYSA-N -1 3 388.416 2.357 20 30 GEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000822631753 606287882 /nfs/dbraw/zinc/28/78/82/606287882.db2.gz HFXYESBAMOMSCQ-LBPRGKRZSA-N -1 3 391.313 2.098 20 30 GEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000822631753 606287884 /nfs/dbraw/zinc/28/78/84/606287884.db2.gz HFXYESBAMOMSCQ-LBPRGKRZSA-N -1 3 391.313 2.098 20 30 GEEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000822805982 606301418 /nfs/dbraw/zinc/30/14/18/606301418.db2.gz HQDCTGLXJXAPLF-CZUORRHYSA-N -1 3 378.392 2.461 20 30 GEEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000822805982 606301419 /nfs/dbraw/zinc/30/14/19/606301419.db2.gz HQDCTGLXJXAPLF-CZUORRHYSA-N -1 3 378.392 2.461 20 30 GEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000821609604 606315600 /nfs/dbraw/zinc/31/56/00/606315600.db2.gz DOIXAPSBVKHNFW-OAHLLOKOSA-N -1 3 379.449 2.037 20 30 GEEDHM N#Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822823660 606346716 /nfs/dbraw/zinc/34/67/16/606346716.db2.gz XBFPOLHDXVIMJF-UHFFFAOYSA-N -1 3 392.398 2.232 20 30 GEEDHM N#Cc1cc(F)ccc1NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822823660 606346717 /nfs/dbraw/zinc/34/67/17/606346717.db2.gz XBFPOLHDXVIMJF-UHFFFAOYSA-N -1 3 392.398 2.232 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccccc1CC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000821648875 606368747 /nfs/dbraw/zinc/36/87/47/606368747.db2.gz VYOJDCZUHZWWRY-INIZCTEOSA-N -1 3 377.360 2.004 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccccc1CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000821648875 606368748 /nfs/dbraw/zinc/36/87/48/606368748.db2.gz VYOJDCZUHZWWRY-INIZCTEOSA-N -1 3 377.360 2.004 20 30 GEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000822655051 606381304 /nfs/dbraw/zinc/38/13/04/606381304.db2.gz BRDLKTFUQUAMOZ-UHFFFAOYSA-N -1 3 375.310 2.433 20 30 GEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000822655051 606381305 /nfs/dbraw/zinc/38/13/05/606381305.db2.gz BRDLKTFUQUAMOZ-UHFFFAOYSA-N -1 3 375.310 2.433 20 30 GEEDHM CS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821936547 606390755 /nfs/dbraw/zinc/39/07/55/606390755.db2.gz BOXDSIHHZRYNPQ-VURMDHGXSA-N -1 3 375.435 2.196 20 30 GEEDHM COc1cccc(C#CCOC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000821854413 606396702 /nfs/dbraw/zinc/39/67/02/606396702.db2.gz JAJRFAVFHKUFCW-CQSZACIVSA-N -1 3 378.388 2.238 20 30 GEEDHM COc1cccc(C#CCOC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000821854413 606396703 /nfs/dbraw/zinc/39/67/03/606396703.db2.gz JAJRFAVFHKUFCW-CQSZACIVSA-N -1 3 378.388 2.238 20 30 GEEDHM C=CCN=c1scc(-c2cnn(C)c2)n1N=Cc1ccc(-c2nnn[n-]2)s1 ZINC000819750344 606398610 /nfs/dbraw/zinc/39/86/10/606398610.db2.gz DAXLVYCHJRPHFP-UHFFFAOYSA-N -1 3 397.493 2.161 20 30 GEEDHM CC(C)[C@H](C#N)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000820010946 606490153 /nfs/dbraw/zinc/49/01/53/606490153.db2.gz DZABAUMIVIRCML-HNNXBMFYSA-N -1 3 391.426 2.134 20 30 GEEDHM CC(C)[C@H](C#N)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000820010946 606490154 /nfs/dbraw/zinc/49/01/54/606490154.db2.gz DZABAUMIVIRCML-HNNXBMFYSA-N -1 3 391.426 2.134 20 30 GEEDHM N#Cc1cccc(CC(=O)NCCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000822837917 606496198 /nfs/dbraw/zinc/49/61/98/606496198.db2.gz YNGLMMNUUGGJLU-UHFFFAOYSA-N -1 3 378.461 2.330 20 30 GEEDHM N#Cc1cccc(CC(=O)NCCSCc2ccccc2-c2nn[n-]n2)c1 ZINC000822837917 606496200 /nfs/dbraw/zinc/49/62/00/606496200.db2.gz YNGLMMNUUGGJLU-UHFFFAOYSA-N -1 3 378.461 2.330 20 30 GEEDHM N#Cc1ccc(OC2CCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000822833373 606550943 /nfs/dbraw/zinc/55/09/43/606550943.db2.gz PBKGMNUHCMQQCE-UHFFFAOYSA-N -1 3 388.431 2.351 20 30 GEEDHM N#Cc1ccc(OC2CCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000822833373 606550944 /nfs/dbraw/zinc/55/09/44/606550944.db2.gz PBKGMNUHCMQQCE-UHFFFAOYSA-N -1 3 388.431 2.351 20 30 GEEDHM N#Cc1csc(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000822842328 606572360 /nfs/dbraw/zinc/57/23/60/606572360.db2.gz CDLZHIVELQBLKJ-UHFFFAOYSA-N -1 3 379.449 2.199 20 30 GEEDHM N#Cc1csc(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000822842328 606572362 /nfs/dbraw/zinc/57/23/62/606572362.db2.gz CDLZHIVELQBLKJ-UHFFFAOYSA-N -1 3 379.449 2.199 20 30 GEEDHM N#Cc1ccc(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)s1 ZINC000822822866 606594909 /nfs/dbraw/zinc/59/49/09/606594909.db2.gz FWGQSHSUEFKRHV-UHFFFAOYSA-N -1 3 379.449 2.199 20 30 GEEDHM N#Cc1ccc(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)s1 ZINC000822822866 606594911 /nfs/dbraw/zinc/59/49/11/606594911.db2.gz FWGQSHSUEFKRHV-UHFFFAOYSA-N -1 3 379.449 2.199 20 30 GEEDHM C#CCNC(=O)c1ccccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819702367 606596119 /nfs/dbraw/zinc/59/61/19/606596119.db2.gz YRUPRIHBQWBFON-UHFFFAOYSA-N -1 3 398.373 2.443 20 30 GEEDHM C#CCNC(=O)c1ccccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819702367 606596121 /nfs/dbraw/zinc/59/61/21/606596121.db2.gz YRUPRIHBQWBFON-UHFFFAOYSA-N -1 3 398.373 2.443 20 30 GEEDHM N#Cc1cc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000822819209 606648104 /nfs/dbraw/zinc/64/81/04/606648104.db2.gz MUCXUGDSNNGRLV-UHFFFAOYSA-N -1 3 378.392 2.426 20 30 GEEDHM N#Cc1cc(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000822819209 606648105 /nfs/dbraw/zinc/64/81/05/606648105.db2.gz MUCXUGDSNNGRLV-UHFFFAOYSA-N -1 3 378.392 2.426 20 30 GEEDHM N#CCOc1cc(F)ccc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822811354 606708404 /nfs/dbraw/zinc/70/84/04/606708404.db2.gz XETZZMRTPTUZSS-MRXNPFEDSA-N -1 3 393.382 2.126 20 30 GEEDHM N#CCOc1cc(F)ccc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822811354 606708406 /nfs/dbraw/zinc/70/84/06/606708406.db2.gz XETZZMRTPTUZSS-MRXNPFEDSA-N -1 3 393.382 2.126 20 30 GEEDHM N#Cc1c(N)n[nH]c1CCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822818843 606910325 /nfs/dbraw/zinc/91/03/25/606910325.db2.gz HSZFALIZBXTKDH-UHFFFAOYSA-N -1 3 377.334 2.107 20 30 GEEDHM N#Cc1c(N)n[nH]c1CCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822818843 606910327 /nfs/dbraw/zinc/91/03/27/606910327.db2.gz HSZFALIZBXTKDH-UHFFFAOYSA-N -1 3 377.334 2.107 20 30 GEEDHM N#Cc1ccc(NCC(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822830232 606947231 /nfs/dbraw/zinc/94/72/31/606947231.db2.gz YAYAPHRDOUTAFV-UHFFFAOYSA-N -1 3 378.392 2.163 20 30 GEEDHM N#Cc1ccc(NCC(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822830232 606947233 /nfs/dbraw/zinc/94/72/33/606947233.db2.gz YAYAPHRDOUTAFV-UHFFFAOYSA-N -1 3 378.392 2.163 20 30 GEEDHM N#Cc1ccc(F)cc1CN1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000822829928 607055468 /nfs/dbraw/zinc/05/54/68/607055468.db2.gz PQLMPTPKTXKMSW-UHFFFAOYSA-N -1 3 395.417 2.334 20 30 GEEDHM N#Cc1ccc(F)cc1CN1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000822829928 607055470 /nfs/dbraw/zinc/05/54/70/607055470.db2.gz PQLMPTPKTXKMSW-UHFFFAOYSA-N -1 3 395.417 2.334 20 30 GEEDHM CS(=O)(=O)c1ccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000821937791 607146910 /nfs/dbraw/zinc/14/69/10/607146910.db2.gz QXDOFEVIDLDELI-UHFFFAOYSA-N -1 3 381.421 2.198 20 30 GEEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1cn(-c2ccccc2)nn1 ZINC000820555445 607156764 /nfs/dbraw/zinc/15/67/64/607156764.db2.gz LFBIGJWTYNIXRH-JTQLQIEISA-N -1 3 390.436 2.150 20 30 GEEDHM C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1cn(-c2ccccc2)nn1 ZINC000820555445 607156766 /nfs/dbraw/zinc/15/67/66/607156766.db2.gz LFBIGJWTYNIXRH-JTQLQIEISA-N -1 3 390.436 2.150 20 30 GEEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)C=Cc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000822837857 607188703 /nfs/dbraw/zinc/18/87/03/607188703.db2.gz VSINWDXJVVHQDP-BQYQJAHWSA-N -1 3 396.414 2.458 20 30 GEEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)C=Cc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000822837857 607188704 /nfs/dbraw/zinc/18/87/04/607188704.db2.gz VSINWDXJVVHQDP-BQYQJAHWSA-N -1 3 396.414 2.458 20 30 GEEDHM N#Cc1ccc(NC(=O)CCCOc2ccc3c(c2)OCO3)cc1-c1nnn[n-]1 ZINC000822829841 607238718 /nfs/dbraw/zinc/23/87/18/607238718.db2.gz LNWJZZGOFCHYHA-UHFFFAOYSA-N -1 3 392.375 2.265 20 30 GEEDHM N#Cc1ccc(NC(=O)CCCOc2ccc3c(c2)OCO3)cc1-c1nn[n-]n1 ZINC000822829841 607238719 /nfs/dbraw/zinc/23/87/19/607238719.db2.gz LNWJZZGOFCHYHA-UHFFFAOYSA-N -1 3 392.375 2.265 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cnc(C)s1 ZINC000823914347 607851632 /nfs/dbraw/zinc/85/16/32/607851632.db2.gz GVJVLTXYQPYKPP-UHFFFAOYSA-N -1 3 376.467 2.009 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cnc(C)s1 ZINC000823914347 607851633 /nfs/dbraw/zinc/85/16/33/607851633.db2.gz GVJVLTXYQPYKPP-UHFFFAOYSA-N -1 3 376.467 2.009 20 30 GEEDHM N#Cc1c(F)cccc1OS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000799792667 607867313 /nfs/dbraw/zinc/86/73/13/607867313.db2.gz DEUXQLLUTOMMFC-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1c(F)cccc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000799792667 607867314 /nfs/dbraw/zinc/86/73/14/607867314.db2.gz DEUXQLLUTOMMFC-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM C=CCc1ccc(OC[C@@H](O)COc2ccccc2-c2nnn[n-]2)c(OC)c1 ZINC000823937171 607870047 /nfs/dbraw/zinc/87/00/47/607870047.db2.gz KYERCJYIMRVXRM-HNNXBMFYSA-N -1 3 382.420 2.423 20 30 GEEDHM C=CCc1ccc(OC[C@@H](O)COc2ccccc2-c2nn[n-]n2)c(OC)c1 ZINC000823937171 607870048 /nfs/dbraw/zinc/87/00/48/607870048.db2.gz KYERCJYIMRVXRM-HNNXBMFYSA-N -1 3 382.420 2.423 20 30 GEEDHM C=CCc1cc(OC)ccc1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823937468 607872294 /nfs/dbraw/zinc/87/22/94/607872294.db2.gz YZECLWBOVGUXPG-INIZCTEOSA-N -1 3 382.420 2.423 20 30 GEEDHM N#C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC000826380338 607881347 /nfs/dbraw/zinc/88/13/47/607881347.db2.gz WCLACYKQOURIFQ-AWEZNQCLSA-N -1 3 380.861 2.271 20 30 GEEDHM N#C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC000826380338 607881348 /nfs/dbraw/zinc/88/13/48/607881348.db2.gz WCLACYKQOURIFQ-AWEZNQCLSA-N -1 3 380.861 2.271 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825838733 607884122 /nfs/dbraw/zinc/88/41/22/607884122.db2.gz BOZKACUNGUDXAK-XFXZXTDPSA-N -1 3 377.404 2.230 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825838733 607884123 /nfs/dbraw/zinc/88/41/23/607884123.db2.gz BOZKACUNGUDXAK-XFXZXTDPSA-N -1 3 377.404 2.230 20 30 GEEDHM CN(C)S(=O)(=O)c1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000825875139 607884367 /nfs/dbraw/zinc/88/43/67/607884367.db2.gz ALSCOPMPJKNEBG-KHPPLWFESA-N -1 3 383.433 2.013 20 30 GEEDHM CN(C)S(=O)(=O)c1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000825875139 607884368 /nfs/dbraw/zinc/88/43/68/607884368.db2.gz ALSCOPMPJKNEBG-KHPPLWFESA-N -1 3 383.433 2.013 20 30 GEEDHM C=C(C)[C@@H](CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)OCC ZINC000823873085 607892727 /nfs/dbraw/zinc/89/27/27/607892727.db2.gz HZAALFWJZJAXLC-QGZVFWFLSA-N -1 3 388.447 2.026 20 30 GEEDHM C=CCCOCCNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823899079 607939630 /nfs/dbraw/zinc/93/96/30/607939630.db2.gz KMPDRSAXYBJNLK-UHFFFAOYSA-N -1 3 386.456 2.012 20 30 GEEDHM C=CCCOCCNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823899079 607939631 /nfs/dbraw/zinc/93/96/31/607939631.db2.gz KMPDRSAXYBJNLK-UHFFFAOYSA-N -1 3 386.456 2.012 20 30 GEEDHM C=CCCOCCNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823898804 607961497 /nfs/dbraw/zinc/96/14/97/607961497.db2.gz BZSHDMLCKVLMPN-UHFFFAOYSA-N -1 3 389.416 2.149 20 30 GEEDHM C=CCCOCCNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823898804 607961498 /nfs/dbraw/zinc/96/14/98/607961498.db2.gz BZSHDMLCKVLMPN-UHFFFAOYSA-N -1 3 389.416 2.149 20 30 GEEDHM C=C[C@@H](CC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)c1ccccc1 ZINC000823882602 607966188 /nfs/dbraw/zinc/96/61/88/607966188.db2.gz AIVDZTAEVQCAIS-INIZCTEOSA-N -1 3 389.463 2.270 20 30 GEEDHM C=C[C@@H](CC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)c1ccccc1 ZINC000823882602 607966189 /nfs/dbraw/zinc/96/61/89/607966189.db2.gz AIVDZTAEVQCAIS-INIZCTEOSA-N -1 3 389.463 2.270 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccc(C(=O)OC)c1 ZINC000823909776 607979225 /nfs/dbraw/zinc/97/92/25/607979225.db2.gz QSZJBXVWGVVFSD-UHFFFAOYSA-N -1 3 391.431 2.411 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccc(C(=O)OC)c1 ZINC000823909776 607979226 /nfs/dbraw/zinc/97/92/26/607979226.db2.gz QSZJBXVWGVVFSD-UHFFFAOYSA-N -1 3 391.431 2.411 20 30 GEEDHM N#Cc1cccc(OCCN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826387369 608070497 /nfs/dbraw/zinc/07/04/97/608070497.db2.gz RVLFPSCXHKEYNZ-IBGZPJMESA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1cccc(OCCN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826387369 608070498 /nfs/dbraw/zinc/07/04/98/608070498.db2.gz RVLFPSCXHKEYNZ-IBGZPJMESA-N -1 3 376.420 2.191 20 30 GEEDHM COCC#CCOC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826147321 608104218 /nfs/dbraw/zinc/10/42/18/608104218.db2.gz SSTPYYRKWNKRCI-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM COCC#CCOC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826147321 608104219 /nfs/dbraw/zinc/10/42/19/608104219.db2.gz SSTPYYRKWNKRCI-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM COCC#CCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000826147379 608104578 /nfs/dbraw/zinc/10/45/78/608104578.db2.gz VTCMOOOPTBWZPK-UHFFFAOYSA-N -1 3 389.419 2.105 20 30 GEEDHM COCC#CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000826147379 608104579 /nfs/dbraw/zinc/10/45/79/608104579.db2.gz VTCMOOOPTBWZPK-UHFFFAOYSA-N -1 3 389.419 2.105 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)OCCOC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826256987 608116867 /nfs/dbraw/zinc/11/68/67/608116867.db2.gz JEEXASMQFJKJJH-UHFFFAOYSA-N -1 3 391.387 2.369 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)OCCOC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826256987 608116868 /nfs/dbraw/zinc/11/68/68/608116868.db2.gz JEEXASMQFJKJJH-UHFFFAOYSA-N -1 3 391.387 2.369 20 30 GEEDHM C[C@]1(C#N)CCCN(CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000824776585 608125709 /nfs/dbraw/zinc/12/57/09/608125709.db2.gz CPKWZWKVSHHHMK-GOSISDBHSA-N -1 3 385.497 2.371 20 30 GEEDHM C[C@]1(C#N)CCCN(CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000824776585 608125710 /nfs/dbraw/zinc/12/57/10/608125710.db2.gz CPKWZWKVSHHHMK-GOSISDBHSA-N -1 3 385.497 2.371 20 30 GEEDHM N#CCCCNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826381687 608142301 /nfs/dbraw/zinc/14/23/01/608142301.db2.gz VCUWHTSZBKMIAQ-UHFFFAOYSA-N -1 3 391.391 2.017 20 30 GEEDHM N#CCCCNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826381687 608142302 /nfs/dbraw/zinc/14/23/02/608142302.db2.gz VCUWHTSZBKMIAQ-UHFFFAOYSA-N -1 3 391.391 2.017 20 30 GEEDHM CCn1c(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)nc2cc(C#N)ccc21 ZINC000825793445 608179642 /nfs/dbraw/zinc/17/96/42/608179642.db2.gz VQUBSRZBNZFQFJ-UHFFFAOYSA-N -1 3 388.391 2.125 20 30 GEEDHM N#Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1-c1nnn[n-]1 ZINC000826385750 608308565 /nfs/dbraw/zinc/30/85/65/608308565.db2.gz YZTHYUHITMZHCW-UHFFFAOYSA-N -1 3 386.331 2.447 20 30 GEEDHM N#Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1-c1nn[n-]n1 ZINC000826385750 608308567 /nfs/dbraw/zinc/30/85/67/608308567.db2.gz YZTHYUHITMZHCW-UHFFFAOYSA-N -1 3 386.331 2.447 20 30 GEEDHM Cc1nn(-c2ccccc2)c(COC(=O)C#Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826331917 608316622 /nfs/dbraw/zinc/31/66/22/608316622.db2.gz CXASFUVUOQSJGU-UHFFFAOYSA-N -1 3 384.399 2.456 20 30 GEEDHM O=C(C#Cc1ccccc1)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826414531 608317809 /nfs/dbraw/zinc/31/78/09/608317809.db2.gz AMHJDTHKJYEWJX-UHFFFAOYSA-N -1 3 381.779 2.054 20 30 GEEDHM O=C(C#Cc1ccccc1)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826414531 608317811 /nfs/dbraw/zinc/31/78/11/608317811.db2.gz AMHJDTHKJYEWJX-UHFFFAOYSA-N -1 3 381.779 2.054 20 30 GEEDHM C#CCN(C1CCCCC1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823844760 608329660 /nfs/dbraw/zinc/32/96/60/608329660.db2.gz IBVFZFMOIZFWBH-UHFFFAOYSA-N -1 3 377.445 2.104 20 30 GEEDHM C#CCN(C1CCCCC1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823844760 608329662 /nfs/dbraw/zinc/32/96/62/608329662.db2.gz IBVFZFMOIZFWBH-UHFFFAOYSA-N -1 3 377.445 2.104 20 30 GEEDHM Cc1cc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)nn1CCC#N ZINC000826269574 608475829 /nfs/dbraw/zinc/47/58/29/608475829.db2.gz PRLNSVUVYCQCHL-QGZVFWFLSA-N -1 3 394.439 2.327 20 30 GEEDHM Cc1cc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)nn1CCC#N ZINC000826269574 608475830 /nfs/dbraw/zinc/47/58/30/608475830.db2.gz PRLNSVUVYCQCHL-QGZVFWFLSA-N -1 3 394.439 2.327 20 30 GEEDHM N#Cc1ccc(C2=CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000826384864 608483557 /nfs/dbraw/zinc/48/35/57/608483557.db2.gz MMHOUJLSYDXMMO-UHFFFAOYSA-N -1 3 386.415 2.433 20 30 GEEDHM N#Cc1ccc(C2=CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000826384864 608483558 /nfs/dbraw/zinc/48/35/58/608483558.db2.gz MMHOUJLSYDXMMO-UHFFFAOYSA-N -1 3 386.415 2.433 20 30 GEEDHM N#C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nccn1Cc1ccccc1 ZINC000826379074 608495064 /nfs/dbraw/zinc/49/50/64/608495064.db2.gz IMXKPJPWEVFELL-QGZVFWFLSA-N -1 3 384.403 2.357 20 30 GEEDHM N#C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nccn1Cc1ccccc1 ZINC000826379074 608495066 /nfs/dbraw/zinc/49/50/66/608495066.db2.gz IMXKPJPWEVFELL-QGZVFWFLSA-N -1 3 384.403 2.357 20 30 GEEDHM Cn1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(-c2cccnc2)n1 ZINC000826360647 608536756 /nfs/dbraw/zinc/53/67/56/608536756.db2.gz SHHHOFCHXOONBH-UHFFFAOYSA-N -1 3 380.803 2.157 20 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/nfs/dbraw/zinc/16/01/30/609160130.db2.gz WWPTVMSXIFVPQH-UHFFFAOYSA-N -1 3 386.416 2.120 20 30 GEEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823909531 609207320 /nfs/dbraw/zinc/20/73/20/609207320.db2.gz HZKQAJMHOGIWBA-SFHVURJKSA-N -1 3 379.420 2.124 20 30 GEEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823909531 609207322 /nfs/dbraw/zinc/20/73/22/609207322.db2.gz HZKQAJMHOGIWBA-SFHVURJKSA-N -1 3 379.420 2.124 20 30 GEEDHM CCN(C(=O)[C@@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367332 609210663 /nfs/dbraw/zinc/21/06/63/609210663.db2.gz NMBFISLFGYXTMN-ACJLOTCBSA-N -1 3 376.420 2.381 20 30 GEEDHM CCN(C(=O)[C@@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367332 609210665 /nfs/dbraw/zinc/21/06/65/609210665.db2.gz NMBFISLFGYXTMN-ACJLOTCBSA-N -1 3 376.420 2.381 20 30 GEEDHM CCN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825366618 609210902 /nfs/dbraw/zinc/21/09/02/609210902.db2.gz CPXOQWMSTJKBFD-SCLBCKFNSA-N -1 3 376.420 2.381 20 30 GEEDHM CCN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825366618 609210903 /nfs/dbraw/zinc/21/09/03/609210903.db2.gz CPXOQWMSTJKBFD-SCLBCKFNSA-N -1 3 376.420 2.381 20 30 GEEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000824255364 609214260 /nfs/dbraw/zinc/21/42/60/609214260.db2.gz GXEKYMGSNFYGEY-IBGZPJMESA-N -1 3 390.447 2.457 20 30 GEEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000824255364 609214261 /nfs/dbraw/zinc/21/42/61/609214261.db2.gz GXEKYMGSNFYGEY-IBGZPJMESA-N -1 3 390.447 2.457 20 30 GEEDHM C[C@@H](OC(=O)Cc1ccccc1CC#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824714625 609243760 /nfs/dbraw/zinc/24/37/60/609243760.db2.gz OSKROBJHJYFTNC-CYBMUJFWSA-N -1 3 390.403 2.046 20 30 GEEDHM C[C@@H](OC(=O)Cc1ccccc1CC#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824714625 609243762 /nfs/dbraw/zinc/24/37/62/609243762.db2.gz OSKROBJHJYFTNC-CYBMUJFWSA-N -1 3 390.403 2.046 20 30 GEEDHM N#CCc1ccccc1CC(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826382814 609244521 /nfs/dbraw/zinc/24/45/21/609244521.db2.gz WHLNZLCVZGXUDJ-UHFFFAOYSA-N -1 3 377.404 2.488 20 30 GEEDHM CC(C)Oc1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000824324403 609251849 /nfs/dbraw/zinc/25/18/49/609251849.db2.gz NSXXOIBLOFBRAB-QGZVFWFLSA-N -1 3 378.392 2.198 20 30 GEEDHM CC(C)Oc1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000824324403 609251850 /nfs/dbraw/zinc/25/18/50/609251850.db2.gz NSXXOIBLOFBRAB-QGZVFWFLSA-N -1 3 378.392 2.198 20 30 GEEDHM C=CCSCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823937434 609356975 /nfs/dbraw/zinc/35/69/75/609356975.db2.gz XSSQNPGUAPUHQU-UHFFFAOYSA-N -1 3 388.432 2.232 20 30 GEEDHM N#CCC1CCN(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)CC1 ZINC000826381143 609402179 /nfs/dbraw/zinc/40/21/79/609402179.db2.gz ZBXBNNKRBWJLFG-UHFFFAOYSA-N -1 3 385.497 2.435 20 30 GEEDHM N#CCC1CCN(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)CC1 ZINC000826381143 609402180 /nfs/dbraw/zinc/40/21/80/609402180.db2.gz ZBXBNNKRBWJLFG-UHFFFAOYSA-N -1 3 385.497 2.435 20 30 GEEDHM COc1ccc(C#N)cc1N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826186994 609409009 /nfs/dbraw/zinc/40/90/09/609409009.db2.gz UJFKTSPILYGMNO-INIZCTEOSA-N -1 3 389.419 2.354 20 30 GEEDHM COc1ccc(C#N)cc1N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826186994 609409011 /nfs/dbraw/zinc/40/90/11/609409011.db2.gz UJFKTSPILYGMNO-INIZCTEOSA-N -1 3 389.419 2.354 20 30 GEEDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC000824019741 609420123 /nfs/dbraw/zinc/42/01/23/609420123.db2.gz MVQXIVFGKHBVPW-UHFFFAOYSA-N -1 3 391.410 2.407 20 30 GEEDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC000824019741 609420124 /nfs/dbraw/zinc/42/01/24/609420124.db2.gz MVQXIVFGKHBVPW-UHFFFAOYSA-N -1 3 391.410 2.407 20 30 GEEDHM COC(=O)COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826138106 609442228 /nfs/dbraw/zinc/44/22/28/609442228.db2.gz DXDSANFBCYDJPJ-WTKPLQERSA-N -1 3 382.351 2.454 20 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/nfs/dbraw/zinc/55/85/79/609558579.db2.gz JWHTWUUPCNVIEN-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1c(F)cccc1N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826382946 609577556 /nfs/dbraw/zinc/57/75/56/609577556.db2.gz BUQOBEIJMGHUGR-KRWDZBQOSA-N -1 3 377.383 2.485 20 30 GEEDHM N#Cc1c(F)cccc1N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826382946 609577559 /nfs/dbraw/zinc/57/75/59/609577559.db2.gz BUQOBEIJMGHUGR-KRWDZBQOSA-N -1 3 377.383 2.485 20 30 GEEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000824100766 609625053 /nfs/dbraw/zinc/62/50/53/609625053.db2.gz XCXUPHQTHJZXAW-GOSISDBHSA-N -1 3 389.387 2.311 20 30 GEEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000824100766 609625054 /nfs/dbraw/zinc/62/50/54/609625054.db2.gz XCXUPHQTHJZXAW-GOSISDBHSA-N -1 3 389.387 2.311 20 30 GEEDHM C=C(C)COCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447039999 649995697 /nfs/dbraw/zinc/99/56/97/649995697.db2.gz QTBPNZCDKUARDX-UHFFFAOYSA-N -1 3 379.232 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378.417 2.293 20 30 GEEDHM N#Cc1cc(NC(=O)CSCC(=O)c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737708152 598930049 /nfs/dbraw/zinc/93/00/49/598930049.db2.gz DCKAVGGUJJYMIO-UHFFFAOYSA-N -1 3 378.417 2.293 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735388329 598963591 /nfs/dbraw/zinc/96/35/91/598963591.db2.gz YZUNLBFHAIJFGM-UHFFFAOYSA-N -1 3 376.420 2.220 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735388329 598963593 /nfs/dbraw/zinc/96/35/93/598963593.db2.gz YZUNLBFHAIJFGM-UHFFFAOYSA-N -1 3 376.420 2.220 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@H]2CCCN(c3ccccc3)C2=O)nc1N ZINC000737704018 598978414 /nfs/dbraw/zinc/97/84/14/598978414.db2.gz GQVWWLJBKVPYKB-AWEZNQCLSA-N -1 3 392.448 2.003 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@H]2CCCN(c3ccccc3)C2=O)nc1N ZINC000737704018 598978416 /nfs/dbraw/zinc/97/84/16/598978416.db2.gz GQVWWLJBKVPYKB-AWEZNQCLSA-N -1 3 392.448 2.003 20 30 GEEDHM CCOc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(C#N)cc1C ZINC000736627651 598995591 /nfs/dbraw/zinc/99/55/91/598995591.db2.gz PNORLUUDCAKPJU-UHFFFAOYSA-N -1 3 385.405 2.213 20 30 GEEDHM CCOc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(C#N)cc1C ZINC000736627651 598995592 /nfs/dbraw/zinc/99/55/92/598995592.db2.gz PNORLUUDCAKPJU-UHFFFAOYSA-N -1 3 385.405 2.213 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCn1c(C)c(C)sc1=O ZINC000735419977 598998607 /nfs/dbraw/zinc/99/86/07/598998607.db2.gz KYFZXQYEDJRNOQ-UHFFFAOYSA-N -1 3 398.492 2.312 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCn1c(C)c(C)sc1=O ZINC000735419977 598998608 /nfs/dbraw/zinc/99/86/08/598998608.db2.gz KYFZXQYEDJRNOQ-UHFFFAOYSA-N -1 3 398.492 2.312 20 30 GEEDHM N#Cc1cc2c(nc1S[C@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC000737710716 599013408 /nfs/dbraw/zinc/01/34/08/599013408.db2.gz VYYAYZLGBSBSNE-INIZCTEOSA-N -1 3 391.460 2.331 20 30 GEEDHM N#Cc1cc2c(nc1S[C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000737710716 599013410 /nfs/dbraw/zinc/01/34/10/599013410.db2.gz VYYAYZLGBSBSNE-INIZCTEOSA-N -1 3 391.460 2.331 20 30 GEEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000735450794 599032739 /nfs/dbraw/zinc/03/27/39/599032739.db2.gz DJXGDUOOIMXRQH-UHFFFAOYSA-N -1 3 397.464 2.243 20 30 GEEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000735450794 599032742 /nfs/dbraw/zinc/03/27/42/599032742.db2.gz DJXGDUOOIMXRQH-UHFFFAOYSA-N -1 3 397.464 2.243 20 30 GEEDHM COC(=O)COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000736930586 599154238 /nfs/dbraw/zinc/15/42/38/599154238.db2.gz FKPQNFUQHVURTF-OQFOIZHKSA-N -1 3 394.387 2.323 20 30 GEEDHM COC(=O)COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000736930586 599154241 /nfs/dbraw/zinc/15/42/41/599154241.db2.gz FKPQNFUQHVURTF-OQFOIZHKSA-N -1 3 394.387 2.323 20 30 GEEDHM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735634184 599192587 /nfs/dbraw/zinc/19/25/87/599192587.db2.gz VRWIDGOZWVZCLR-CABCVRRESA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735634184 599192589 /nfs/dbraw/zinc/19/25/89/599192589.db2.gz VRWIDGOZWVZCLR-CABCVRRESA-N -1 3 397.439 2.370 20 30 GEEDHM N#Cc1cc(NC(=O)c2ccnc(OCC(F)(F)F)c2)ccc1-c1nnn[n-]1 ZINC000737709964 599194258 /nfs/dbraw/zinc/19/42/58/599194258.db2.gz SKJXQUHSAORUDP-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM N#Cc1cc(NC(=O)c2ccnc(OCC(F)(F)F)c2)ccc1-c1nn[n-]n1 ZINC000737709964 599194261 /nfs/dbraw/zinc/19/42/61/599194261.db2.gz SKJXQUHSAORUDP-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736529110 599199563 /nfs/dbraw/zinc/19/95/63/599199563.db2.gz IVHZGNNAKNXRPG-UHFFFAOYSA-N -1 3 389.419 2.473 20 30 GEEDHM CCN(CC)C(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736529110 599199565 /nfs/dbraw/zinc/19/95/65/599199565.db2.gz IVHZGNNAKNXRPG-UHFFFAOYSA-N -1 3 389.419 2.473 20 30 GEEDHM COc1cccc([C@@H](C#N)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1OC ZINC000737122841 598240418 /nfs/dbraw/zinc/24/04/18/598240418.db2.gz WQZZXIRICSOOHM-BLIJAFNYSA-N -1 3 390.403 2.278 20 30 GEEDHM COc1cccc([C@@H](C#N)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1OC ZINC000737122841 598240419 /nfs/dbraw/zinc/24/04/19/598240419.db2.gz WQZZXIRICSOOHM-BLIJAFNYSA-N -1 3 390.403 2.278 20 30 GEEDHM CC(=NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735450566 598313830 /nfs/dbraw/zinc/31/38/30/598313830.db2.gz ARWTZSGLNSJJPP-UHFFFAOYSA-N -1 3 397.464 2.144 20 30 GEEDHM CC(=NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735450566 598313832 /nfs/dbraw/zinc/31/38/32/598313832.db2.gz ARWTZSGLNSJJPP-UHFFFAOYSA-N -1 3 397.464 2.144 20 30 GEEDHM O=S(=O)(c1ccc(NN=Cc2cccc(-c3nnn[n-]3)c2)cc1)C(F)F ZINC000738355125 598314889 /nfs/dbraw/zinc/31/48/89/598314889.db2.gz LRLORDOJBHVJLY-UHFFFAOYSA-N -1 3 378.364 2.309 20 30 GEEDHM O=S(=O)(c1ccc(NN=Cc2cccc(-c3nn[n-]n3)c2)cc1)C(F)F ZINC000738355125 598314890 /nfs/dbraw/zinc/31/48/90/598314890.db2.gz LRLORDOJBHVJLY-UHFFFAOYSA-N -1 3 378.364 2.309 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000737293357 598436681 /nfs/dbraw/zinc/43/66/81/598436681.db2.gz CPTMFONTMVXTHQ-UHFFFAOYSA-N -1 3 385.391 2.067 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000737293357 598436682 /nfs/dbraw/zinc/43/66/82/598436682.db2.gz CPTMFONTMVXTHQ-UHFFFAOYSA-N -1 3 385.391 2.067 20 30 GEEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(Br)c1 ZINC000737673401 598463935 /nfs/dbraw/zinc/46/39/35/598463935.db2.gz ALTLVDVHVQIGRC-CYBMUJFWSA-N -1 3 384.197 2.019 20 30 GEEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(Br)c1 ZINC000737673401 598463936 /nfs/dbraw/zinc/46/39/36/598463936.db2.gz ALTLVDVHVQIGRC-CYBMUJFWSA-N -1 3 384.197 2.019 20 30 GEEDHM N#Cc1ccc(CSCC(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000737718134 598512703 /nfs/dbraw/zinc/51/27/03/598512703.db2.gz KCOXXSLAIRDMKL-UHFFFAOYSA-N -1 3 395.448 2.022 20 30 GEEDHM N#Cc1ccc(CSCC(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000737718134 598512704 /nfs/dbraw/zinc/51/27/04/598512704.db2.gz KCOXXSLAIRDMKL-UHFFFAOYSA-N -1 3 395.448 2.022 20 30 GEEDHM N#C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000737678515 598565855 /nfs/dbraw/zinc/56/58/55/598565855.db2.gz JLTMXHBCTBQQSU-QGZVFWFLSA-N -1 3 391.391 2.415 20 30 GEEDHM N#C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000737678515 598565856 /nfs/dbraw/zinc/56/58/56/598565856.db2.gz JLTMXHBCTBQQSU-QGZVFWFLSA-N -1 3 391.391 2.415 20 30 GEEDHM N#Cc1nc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)ccc1Cl ZINC000737728732 598579850 /nfs/dbraw/zinc/57/98/50/598579850.db2.gz URXWQCNVXHEEPC-UHFFFAOYSA-N -1 3 384.806 2.252 20 30 GEEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735503570 598624994 /nfs/dbraw/zinc/62/49/94/598624994.db2.gz JPBDZHWHQPJCFQ-FQEVSTJZSA-N -1 3 376.420 2.277 20 30 GEEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735503570 598624995 /nfs/dbraw/zinc/62/49/95/598624995.db2.gz JPBDZHWHQPJCFQ-FQEVSTJZSA-N -1 3 376.420 2.277 20 30 GEEDHM N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737727773 598628121 /nfs/dbraw/zinc/62/81/21/598628121.db2.gz SESNXBXELKYOGB-UHFFFAOYSA-N -1 3 392.398 2.232 20 30 GEEDHM N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737727773 598628123 /nfs/dbraw/zinc/62/81/23/598628123.db2.gz SESNXBXELKYOGB-UHFFFAOYSA-N -1 3 392.398 2.232 20 30 GEEDHM N#Cc1ccc(N2CCN(Cc3ccc(F)cc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000737718165 598684730 /nfs/dbraw/zinc/68/47/30/598684730.db2.gz KNBITPQNPAXUCL-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1ccc(N2CCN(Cc3ccc(F)cc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000737718165 598684731 /nfs/dbraw/zinc/68/47/31/598684731.db2.gz KNBITPQNPAXUCL-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737712399 598693648 /nfs/dbraw/zinc/69/36/48/598693648.db2.gz PRKJOESAKQKRNC-UHFFFAOYSA-N -1 3 398.423 2.231 20 30 GEEDHM N#Cc1ccc(C(=O)COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384444 607366071 /nfs/dbraw/zinc/36/60/71/607366071.db2.gz WBNZVAAEMHHXRK-UHFFFAOYSA-N -1 3 393.428 2.398 20 30 GEEDHM N#Cc1ccc(C(=O)COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384444 607366072 /nfs/dbraw/zinc/36/60/72/607366072.db2.gz WBNZVAAEMHHXRK-UHFFFAOYSA-N -1 3 393.428 2.398 20 30 GEEDHM CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1OC ZINC000736308839 598822911 /nfs/dbraw/zinc/82/29/11/598822911.db2.gz IOFROZMCWUGAEJ-INIZCTEOSA-N -1 3 392.419 2.486 20 30 GEEDHM CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1OC ZINC000736308839 598822912 /nfs/dbraw/zinc/82/29/12/598822912.db2.gz IOFROZMCWUGAEJ-INIZCTEOSA-N -1 3 392.419 2.486 20 30 GEEDHM CCNc1nc(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)nc(NCC)n1 ZINC000821314376 599331767 /nfs/dbraw/zinc/33/17/67/599331767.db2.gz KFCRDJVRNNJBIO-UHFFFAOYSA-N -1 3 393.459 2.068 20 30 GEEDHM CCNc1nc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)nc(NCC)n1 ZINC000821314376 599331768 /nfs/dbraw/zinc/33/17/68/599331768.db2.gz KFCRDJVRNNJBIO-UHFFFAOYSA-N -1 3 393.459 2.068 20 30 GEEDHM Cc1nc2sccn2c1C=NO[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822468054 599387330 /nfs/dbraw/zinc/38/73/30/599387330.db2.gz WGNNGCSMNTWSFU-LLVKDONJSA-N -1 3 396.436 2.262 20 30 GEEDHM Cc1nc2sccn2c1C=NO[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822468054 599387332 /nfs/dbraw/zinc/38/73/32/599387332.db2.gz WGNNGCSMNTWSFU-LLVKDONJSA-N -1 3 396.436 2.262 20 30 GEEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824177305 607378770 /nfs/dbraw/zinc/37/87/70/607378770.db2.gz HAFFWGGDINVLLZ-UHFFFAOYSA-N -1 3 391.387 2.322 20 30 GEEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824177305 607378772 /nfs/dbraw/zinc/37/87/72/607378772.db2.gz HAFFWGGDINVLLZ-UHFFFAOYSA-N -1 3 391.387 2.322 20 30 GEEDHM C#CCN(Cc1ccc(F)cc1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819702245 599453355 /nfs/dbraw/zinc/45/33/55/599453355.db2.gz VFLBCLQSZZNYCN-UHFFFAOYSA-N -1 3 394.410 2.230 20 30 GEEDHM O=C1C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)COc2c(F)cc(F)cc21 ZINC000738288299 599463618 /nfs/dbraw/zinc/46/36/18/599463618.db2.gz BMTXGLZZDDXOFY-XCVCLJGOSA-N -1 3 380.314 2.451 20 30 GEEDHM O=C1C(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)COc2c(F)cc(F)cc21 ZINC000738288299 599463621 /nfs/dbraw/zinc/46/36/21/599463621.db2.gz BMTXGLZZDDXOFY-XCVCLJGOSA-N -1 3 380.314 2.451 20 30 GEEDHM C[C@H](COC(=O)c1cccc(C#N)c1)COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736037828 599496427 /nfs/dbraw/zinc/49/64/27/599496427.db2.gz OTKFTWBAJNXFJK-CYBMUJFWSA-N -1 3 391.387 2.388 20 30 GEEDHM C[C@H](COC(=O)c1cccc(C#N)c1)COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736037828 599496430 /nfs/dbraw/zinc/49/64/30/599496430.db2.gz OTKFTWBAJNXFJK-CYBMUJFWSA-N -1 3 391.387 2.388 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000819933056 599631732 /nfs/dbraw/zinc/63/17/32/599631732.db2.gz DHLIFJOMTZWMFK-WCQYABFASA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000819933056 599631733 /nfs/dbraw/zinc/63/17/33/599631733.db2.gz DHLIFJOMTZWMFK-WCQYABFASA-N -1 3 397.439 2.370 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000826257060 607387073 /nfs/dbraw/zinc/38/70/73/607387073.db2.gz LVEMHWDDUGDXQV-CQSZACIVSA-N -1 3 394.416 2.071 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000826257060 607387075 /nfs/dbraw/zinc/38/70/75/607387075.db2.gz LVEMHWDDUGDXQV-CQSZACIVSA-N -1 3 394.416 2.071 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000826251599 607389416 /nfs/dbraw/zinc/38/94/16/607389416.db2.gz VBHNETOMQLUVOD-UHFFFAOYSA-N -1 3 390.403 2.279 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000826251599 607389418 /nfs/dbraw/zinc/38/94/18/607389418.db2.gz VBHNETOMQLUVOD-UHFFFAOYSA-N -1 3 390.403 2.279 20 30 GEEDHM Cc1cccc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826298808 607398365 /nfs/dbraw/zinc/39/83/65/607398365.db2.gz HSVWNXCSSJUOLK-HNNXBMFYSA-N -1 3 389.419 2.275 20 30 GEEDHM Cc1cccc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826298808 607398366 /nfs/dbraw/zinc/39/83/66/607398366.db2.gz HSVWNXCSSJUOLK-HNNXBMFYSA-N -1 3 389.419 2.275 20 30 GEEDHM COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826209994 607399340 /nfs/dbraw/zinc/39/93/40/607399340.db2.gz ZYBSLCYZNISTIC-MRXNPFEDSA-N -1 3 376.376 2.145 20 30 GEEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000736662493 600594220 /nfs/dbraw/zinc/59/42/20/600594220.db2.gz PJRZMPMKWJHLJX-SCLBCKFNSA-N -1 3 387.461 2.285 20 30 GEEDHM COC[C@](C)(CC(=O)[O-])NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000831573739 601134294 /nfs/dbraw/zinc/13/42/94/601134294.db2.gz UYBZTQVFOWZCLB-NRFANRHFSA-N -1 3 398.463 2.374 20 30 GEEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000829881275 601236227 /nfs/dbraw/zinc/23/62/27/601236227.db2.gz DFTDRYSKNLVGAT-IJEWVQPXSA-N -1 3 386.404 2.402 20 30 GEEDHM N#Cc1ccc(-c2nnc(CONC(=N)COc3cccc(C(=O)[O-])c3)o2)cc1 ZINC000833070483 601352713 /nfs/dbraw/zinc/35/27/13/601352713.db2.gz INKWOGCVXGNDLP-UHFFFAOYSA-N -1 3 393.359 2.384 20 30 GEEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(C#N)ccc1OC ZINC000826158894 607519690 /nfs/dbraw/zinc/51/96/90/607519690.db2.gz HLIADDMFUSPCCD-UHFFFAOYSA-N -1 3 378.436 2.396 20 30 GEEDHM COc1ccc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826198684 607562981 /nfs/dbraw/zinc/56/29/81/607562981.db2.gz FXHLVNRIUWFGKD-LBPRGKRZSA-N -1 3 377.408 2.307 20 30 GEEDHM COc1ccc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826198684 607562983 /nfs/dbraw/zinc/56/29/83/607562983.db2.gz FXHLVNRIUWFGKD-LBPRGKRZSA-N -1 3 377.408 2.307 20 30 GEEDHM N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826384971 607601047 /nfs/dbraw/zinc/60/10/47/607601047.db2.gz ROLYEUHVWISIJJ-UHFFFAOYSA-N -1 3 380.433 2.092 20 30 GEEDHM N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826384971 607601048 /nfs/dbraw/zinc/60/10/48/607601048.db2.gz ROLYEUHVWISIJJ-UHFFFAOYSA-N -1 3 380.433 2.092 20 30 GEEDHM CN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC(C)(C)CNC(=O)[O-] ZINC000828170102 603631446 /nfs/dbraw/zinc/63/14/46/603631446.db2.gz RXLBKVLIURXXNV-AWEZNQCLSA-N -1 3 381.436 2.449 20 30 GEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826383093 607651404 /nfs/dbraw/zinc/65/14/04/607651404.db2.gz JZGYXWQPAAZBHM-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c(F)c1 ZINC000826385801 607675544 /nfs/dbraw/zinc/67/55/44/607675544.db2.gz BFWWFNVKMHTOHE-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM C#Cc1ccc(C(=O)Nc2ccc(NC(=O)OCC)c(-c3nnn[n-]3)c2)nc1 ZINC000823861387 607758820 /nfs/dbraw/zinc/75/88/20/607758820.db2.gz GGEZELUCMYEVBN-UHFFFAOYSA-N -1 3 377.364 2.064 20 30 GEEDHM C#Cc1ccc(C(=O)Nc2ccc(NC(=O)OCC)c(-c3nn[n-]n3)c2)nc1 ZINC000823861387 607758821 /nfs/dbraw/zinc/75/88/21/607758821.db2.gz GGEZELUCMYEVBN-UHFFFAOYSA-N -1 3 377.364 2.064 20 30 GEEDHM N#C[C@H](c1ccccc1)N1CCN(CCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822800967 606071938 /nfs/dbraw/zinc/07/19/38/606071938.db2.gz CBVNUQBKQTVVFV-HXUWFJFHSA-N -1 3 389.463 2.128 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000819745747 606143016 /nfs/dbraw/zinc/14/30/16/606143016.db2.gz QWHZGMRAGFVLSW-UHFFFAOYSA-N -1 3 387.469 2.090 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000819745747 606143017 /nfs/dbraw/zinc/14/30/17/606143017.db2.gz QWHZGMRAGFVLSW-UHFFFAOYSA-N -1 3 387.469 2.090 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1csc(N(C)C)n1 ZINC000819745490 606162676 /nfs/dbraw/zinc/16/26/76/606162676.db2.gz GCYNGPYMEMNOQZ-UHFFFAOYSA-N -1 3 398.496 2.287 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1csc(N(C)C)n1 ZINC000819745490 606162678 /nfs/dbraw/zinc/16/26/78/606162678.db2.gz GCYNGPYMEMNOQZ-UHFFFAOYSA-N -1 3 398.496 2.287 20 30 GEEDHM Cn1cc(C#N)cc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000822665296 606230129 /nfs/dbraw/zinc/23/01/29/606230129.db2.gz NDOOVYNLBBOOAB-UHFFFAOYSA-N -1 3 389.341 2.282 20 30 GEEDHM Cn1cc(C#N)cc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000822665296 606230131 /nfs/dbraw/zinc/23/01/31/606230131.db2.gz NDOOVYNLBBOOAB-UHFFFAOYSA-N -1 3 389.341 2.282 20 30 GEEDHM COc1ccc(C#N)cc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821768940 606248403 /nfs/dbraw/zinc/24/84/03/606248403.db2.gz BGTCSONIXIFFPL-GFCCVEGCSA-N -1 3 381.421 2.026 20 30 GEEDHM COc1ccc(C#N)cc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821768940 606248405 /nfs/dbraw/zinc/24/84/05/606248405.db2.gz BGTCSONIXIFFPL-GFCCVEGCSA-N -1 3 381.421 2.026 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000821765377 606248638 /nfs/dbraw/zinc/24/86/38/606248638.db2.gz BYNBWAYHUVEYRE-GFCCVEGCSA-N -1 3 381.421 2.026 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000821765377 606248640 /nfs/dbraw/zinc/24/86/40/606248640.db2.gz BYNBWAYHUVEYRE-GFCCVEGCSA-N -1 3 381.421 2.026 20 30 GEEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822802023 606299928 /nfs/dbraw/zinc/29/99/28/606299928.db2.gz UJRWDHSLJIBGGZ-CJNGLKHVSA-N -1 3 378.392 2.461 20 30 GEEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822801192 606300901 /nfs/dbraw/zinc/30/09/01/606300901.db2.gz GJYVERXEJQTWTP-CZUORRHYSA-N -1 3 375.392 2.476 20 30 GEEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822801192 606300903 /nfs/dbraw/zinc/30/09/03/606300903.db2.gz GJYVERXEJQTWTP-CZUORRHYSA-N -1 3 375.392 2.476 20 30 GEEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000822801618 606301258 /nfs/dbraw/zinc/30/12/58/606301258.db2.gz LCDDCHVTVJJFSF-SWLSCSKDSA-N -1 3 378.392 2.461 20 30 GEEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000822801618 606301260 /nfs/dbraw/zinc/30/12/60/606301260.db2.gz LCDDCHVTVJJFSF-SWLSCSKDSA-N -1 3 378.392 2.461 20 30 GEEDHM C=C(C)CN(CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819722178 606338585 /nfs/dbraw/zinc/33/85/85/606338585.db2.gz BDSMDZUSDAAYHL-UHFFFAOYSA-N -1 3 375.376 2.472 20 30 GEEDHM C=C(C)CN(CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819722178 606338586 /nfs/dbraw/zinc/33/85/86/606338586.db2.gz BDSMDZUSDAAYHL-UHFFFAOYSA-N -1 3 375.376 2.472 20 30 GEEDHM CN(C)C(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821578209 606390251 /nfs/dbraw/zinc/39/02/51/606390251.db2.gz SRZDUPBZGVMHHL-SOFGYWHQSA-N -1 3 383.433 2.291 20 30 GEEDHM Cc1nnc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(C#N)c1C ZINC000822515470 606481215 /nfs/dbraw/zinc/48/12/15/606481215.db2.gz MVBZGRADENLFJO-UHFFFAOYSA-N -1 3 375.440 2.226 20 30 GEEDHM Cc1nnc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(C#N)c1C ZINC000822515470 606481217 /nfs/dbraw/zinc/48/12/17/606481217.db2.gz MVBZGRADENLFJO-UHFFFAOYSA-N -1 3 375.440 2.226 20 30 GEEDHM CCN(C[C@H](C)C#N)C(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821170871 606707636 /nfs/dbraw/zinc/70/76/36/606707636.db2.gz XOULLBHHCWVONI-SNVBAGLBSA-N -1 3 381.362 2.306 20 30 GEEDHM CCN(C[C@H](C)C#N)C(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821170871 606707637 /nfs/dbraw/zinc/70/76/37/606707637.db2.gz XOULLBHHCWVONI-SNVBAGLBSA-N -1 3 381.362 2.306 20 30 GEEDHM N#Cc1ccnc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1[N+](=O)[O-] ZINC000822842333 606715667 /nfs/dbraw/zinc/71/56/67/606715667.db2.gz CJGXPHBHAATSPY-UHFFFAOYSA-N -1 3 391.395 2.122 20 30 GEEDHM N#Cc1ccnc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1[N+](=O)[O-] ZINC000822842333 606715669 /nfs/dbraw/zinc/71/56/69/606715669.db2.gz CJGXPHBHAATSPY-UHFFFAOYSA-N -1 3 391.395 2.122 20 30 GEEDHM C=CC[C@@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)c1ccncc1 ZINC000819734778 606742188 /nfs/dbraw/zinc/74/21/88/606742188.db2.gz SUHZYWOHHKQOJE-CQSZACIVSA-N -1 3 397.826 2.287 20 30 GEEDHM C=CC[C@@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)c1ccncc1 ZINC000819734778 606742190 /nfs/dbraw/zinc/74/21/90/606742190.db2.gz SUHZYWOHHKQOJE-CQSZACIVSA-N -1 3 397.826 2.287 20 30 GEEDHM CN(c1nc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cs1)C1CC1 ZINC000821619373 606820375 /nfs/dbraw/zinc/82/03/75/606820375.db2.gz UCUFTQHQUNIOQM-UHFFFAOYSA-N -1 3 385.482 2.063 20 30 GEEDHM CN(c1nc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cs1)C1CC1 ZINC000821619373 606820376 /nfs/dbraw/zinc/82/03/76/606820376.db2.gz UCUFTQHQUNIOQM-UHFFFAOYSA-N -1 3 385.482 2.063 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000819745696 606841370 /nfs/dbraw/zinc/84/13/70/606841370.db2.gz PVGRYPMJOWIMIJ-UHFFFAOYSA-N -1 3 398.423 2.254 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000819745696 606841372 /nfs/dbraw/zinc/84/13/72/606841372.db2.gz PVGRYPMJOWIMIJ-UHFFFAOYSA-N -1 3 398.423 2.254 20 30 GEEDHM N#Cc1ccc(SCc2cc(=O)n3ncc(-c4nnn[n-]4)c3[nH]2)c(Cl)c1 ZINC000822833628 606852307 /nfs/dbraw/zinc/85/23/07/606852307.db2.gz SWRFINPJBLQXAC-UHFFFAOYSA-N -1 3 384.812 2.432 20 30 GEEDHM N#Cc1cc(F)c(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000822823275 606885143 /nfs/dbraw/zinc/88/51/43/606885143.db2.gz OJVVLZPWGDXUSZ-UHFFFAOYSA-N -1 3 397.750 2.438 20 30 GEEDHM N#Cc1cc(F)c(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000822823275 606885145 /nfs/dbraw/zinc/88/51/45/606885145.db2.gz OJVVLZPWGDXUSZ-UHFFFAOYSA-N -1 3 397.750 2.438 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000822833284 606885378 /nfs/dbraw/zinc/88/53/78/606885378.db2.gz NOWNRVFCTWQVMQ-UHFFFAOYSA-N -1 3 397.750 2.438 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000822833284 606885380 /nfs/dbraw/zinc/88/53/80/606885380.db2.gz NOWNRVFCTWQVMQ-UHFFFAOYSA-N -1 3 397.750 2.438 20 30 GEEDHM COCCN(CCC#N)c1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000821689107 606910687 /nfs/dbraw/zinc/91/06/87/606910687.db2.gz KXHSDPJKMSZUNW-UHFFFAOYSA-N -1 3 376.424 2.343 20 30 GEEDHM COCCN(CCC#N)c1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000821689107 606910688 /nfs/dbraw/zinc/91/06/88/606910688.db2.gz KXHSDPJKMSZUNW-UHFFFAOYSA-N -1 3 376.424 2.343 20 30 GEEDHM Cc1ccc(C#N)cc1OS(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822225127 607049747 /nfs/dbraw/zinc/04/97/47/607049747.db2.gz PKGIBTZBEQKFBR-UHFFFAOYSA-N -1 3 377.332 2.093 20 30 GEEDHM Cc1ccc(C#N)cc1OS(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822225127 607049748 /nfs/dbraw/zinc/04/97/48/607049748.db2.gz PKGIBTZBEQKFBR-UHFFFAOYSA-N -1 3 377.332 2.093 20 30 GEEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000822801727 607068949 /nfs/dbraw/zinc/06/89/49/607068949.db2.gz NFLHVPWSOAGIID-LJQANCHMSA-N -1 3 377.427 2.388 20 30 GEEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000822801727 607068950 /nfs/dbraw/zinc/06/89/50/607068950.db2.gz NFLHVPWSOAGIID-LJQANCHMSA-N -1 3 377.427 2.388 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819739919 607117349 /nfs/dbraw/zinc/11/73/49/607117349.db2.gz KVUGNODRKBNRDY-CQSZACIVSA-N -1 3 399.451 2.156 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819739919 607117351 /nfs/dbraw/zinc/11/73/51/607117351.db2.gz KVUGNODRKBNRDY-CQSZACIVSA-N -1 3 399.451 2.156 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1NCC(=O)N(CCC#N)c1ccccc1 ZINC000821765860 607125460 /nfs/dbraw/zinc/12/54/60/607125460.db2.gz MNPWFGCSPGIWAW-UHFFFAOYSA-N -1 3 377.408 2.234 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1NCC(=O)N(CCC#N)c1ccccc1 ZINC000821765860 607125461 /nfs/dbraw/zinc/12/54/61/607125461.db2.gz MNPWFGCSPGIWAW-UHFFFAOYSA-N -1 3 377.408 2.234 20 30 GEEDHM S=C(NCCc1cccs1)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000823731707 607147524 /nfs/dbraw/zinc/14/75/24/607147524.db2.gz CYYZVERTPZUHOO-UHFFFAOYSA-N -1 3 396.505 2.450 20 30 GEEDHM S=C(NCCc1cccs1)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823731707 607147526 /nfs/dbraw/zinc/14/75/26/607147526.db2.gz CYYZVERTPZUHOO-UHFFFAOYSA-N -1 3 396.505 2.450 20 30 GEEDHM Cc1ccccc1-c1nc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)no1 ZINC000822345814 607157747 /nfs/dbraw/zinc/15/77/47/607157747.db2.gz SJKAQBSLUBFYTL-UHFFFAOYSA-N -1 3 391.420 2.366 20 30 GEEDHM Cc1ccccc1-c1nc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)no1 ZINC000822345814 607157748 /nfs/dbraw/zinc/15/77/48/607157748.db2.gz SJKAQBSLUBFYTL-UHFFFAOYSA-N -1 3 391.420 2.366 20 30 GEEDHM CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)C1CC1 ZINC000824099907 607795431 /nfs/dbraw/zinc/79/54/31/607795431.db2.gz MFILNCHFKHCMOV-UHFFFAOYSA-N -1 3 383.412 2.076 20 30 GEEDHM CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)C1CC1 ZINC000824099907 607795432 /nfs/dbraw/zinc/79/54/32/607795432.db2.gz MFILNCHFKHCMOV-UHFFFAOYSA-N -1 3 383.412 2.076 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nc(C(F)(F)F)ccc1=O ZINC000823914166 607845998 /nfs/dbraw/zinc/84/59/98/607845998.db2.gz BZYOEFUOYNHMKJ-UHFFFAOYSA-N -1 3 391.357 2.088 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nc(C(F)(F)F)ccc1=O ZINC000823914166 607845999 /nfs/dbraw/zinc/84/59/99/607845999.db2.gz BZYOEFUOYNHMKJ-UHFFFAOYSA-N -1 3 391.357 2.088 20 30 GEEDHM N#Cc1c(F)cccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826383611 607867947 /nfs/dbraw/zinc/86/79/47/607867947.db2.gz IRPWVMQXVNYMSF-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM Cc1c(C(C)N=Nc2ncc(F)cn2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823963218 608016063 /nfs/dbraw/zinc/01/60/63/608016063.db2.gz YEPCTEXCCUSKFF-UHFFFAOYSA-N -1 3 378.375 2.126 20 30 GEEDHM N#Cc1ccccc1OCCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826386985 608070483 /nfs/dbraw/zinc/07/04/83/608070483.db2.gz ATUZJJUHFVNXCT-IBGZPJMESA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1ccccc1OCCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826386985 608070484 /nfs/dbraw/zinc/07/04/84/608070484.db2.gz ATUZJJUHFVNXCT-IBGZPJMESA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1cccc([C@H]2CN(CCOc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000826386953 608070569 /nfs/dbraw/zinc/07/05/69/608070569.db2.gz ZJANSGSDCOBIIM-LJQANCHMSA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1cccc([C@H]2CN(CCOc3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC000826386953 608070570 /nfs/dbraw/zinc/07/05/70/608070570.db2.gz ZJANSGSDCOBIIM-LJQANCHMSA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1cc(F)c(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(F)c1 ZINC000826384061 608083478 /nfs/dbraw/zinc/08/34/78/608083478.db2.gz FIISTYOOHKJFOX-INIZCTEOSA-N -1 3 396.357 2.230 20 30 GEEDHM N#Cc1cc(F)c(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(F)c1 ZINC000826384061 608083479 /nfs/dbraw/zinc/08/34/79/608083479.db2.gz FIISTYOOHKJFOX-INIZCTEOSA-N -1 3 396.357 2.230 20 30 GEEDHM CC(=NNC(=S)NCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953843 608094289 /nfs/dbraw/zinc/09/42/89/608094289.db2.gz SBGIGDFGCVNAKG-UHFFFAOYSA-N -1 3 375.458 2.456 20 30 GEEDHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCC[C@](C)(C#N)C1 ZINC000824051728 608125578 /nfs/dbraw/zinc/12/55/78/608125578.db2.gz COIFGHCAYVJRQW-BBATYDOGSA-N -1 3 385.497 2.370 20 30 GEEDHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCC[C@](C)(C#N)C1 ZINC000824051728 608125579 /nfs/dbraw/zinc/12/55/79/608125579.db2.gz COIFGHCAYVJRQW-BBATYDOGSA-N -1 3 385.497 2.370 20 30 GEEDHM CCn1c(NC(=O)COc2ccccc2-c2nnn[n-]2)nc2cc(C#N)ccc21 ZINC000825792630 608175474 /nfs/dbraw/zinc/17/54/74/608175474.db2.gz BSIIOCFWLFYYOY-UHFFFAOYSA-N -1 3 388.391 2.125 20 30 GEEDHM CCn1c(NC(=O)COc2ccccc2-c2nn[n-]n2)nc2cc(C#N)ccc21 ZINC000825792630 608175475 /nfs/dbraw/zinc/17/54/75/608175475.db2.gz BSIIOCFWLFYYOY-UHFFFAOYSA-N -1 3 388.391 2.125 20 30 GEEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ncc(C#N)cc1Cl ZINC000825797287 608206774 /nfs/dbraw/zinc/20/67/74/608206774.db2.gz YVNDMQOCCPURGV-UHFFFAOYSA-N -1 3 393.798 2.409 20 30 GEEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ncc(C#N)cc1Cl ZINC000825797287 608206775 /nfs/dbraw/zinc/20/67/75/608206775.db2.gz YVNDMQOCCPURGV-UHFFFAOYSA-N -1 3 393.798 2.409 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1CON=CC(=O)Nc1cc(F)ccc1C ZINC000826173223 608324259 /nfs/dbraw/zinc/32/42/59/608324259.db2.gz SYXWVHGEZGADMW-UHFFFAOYSA-N -1 3 384.371 2.464 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1CON=CC(=O)Nc1cc(F)ccc1C ZINC000826173223 608324261 /nfs/dbraw/zinc/32/42/61/608324261.db2.gz SYXWVHGEZGADMW-UHFFFAOYSA-N -1 3 384.371 2.464 20 30 GEEDHM C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824633524 608335705 /nfs/dbraw/zinc/33/57/05/608335705.db2.gz OUZVTAVPOKZRCS-LLVKDONJSA-N -1 3 386.412 2.058 20 30 GEEDHM C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824633524 608335707 /nfs/dbraw/zinc/33/57/07/608335707.db2.gz OUZVTAVPOKZRCS-LLVKDONJSA-N -1 3 386.412 2.058 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000826169679 608357027 /nfs/dbraw/zinc/35/70/27/608357027.db2.gz AQLCEKFMNZEUEK-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000826169679 608357028 /nfs/dbraw/zinc/35/70/28/608357028.db2.gz AQLCEKFMNZEUEK-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM Cc1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)nn1CCC#N ZINC000826269204 608475751 /nfs/dbraw/zinc/47/57/51/608475751.db2.gz DISIWCWMTDUVFG-UHFFFAOYSA-N -1 3 394.439 2.473 20 30 GEEDHM Cc1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)nn1CCC#N ZINC000826269204 608475752 /nfs/dbraw/zinc/47/57/52/608475752.db2.gz DISIWCWMTDUVFG-UHFFFAOYSA-N -1 3 394.439 2.473 20 30 GEEDHM Clc1cc(-c2nn[n-]n2)cc([N-][NH+]=Cc2ccc(N3CCOCC3)s2)n1 ZINC000826350339 608541291 /nfs/dbraw/zinc/54/12/91/608541291.db2.gz RHDLRSPNHZWGIC-UHFFFAOYSA-N -1 3 390.860 2.259 20 30 GEEDHM C=CC[C@@H](CO)CNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823888765 608563308 /nfs/dbraw/zinc/56/33/08/608563308.db2.gz VTHJBQKHNQNRSZ-MRXNPFEDSA-N -1 3 393.447 2.360 20 30 GEEDHM C=CCCC[C@@H](C)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823894356 608589302 /nfs/dbraw/zinc/58/93/02/608589302.db2.gz OAKGQTGDGZYZCI-CQSZACIVSA-N -1 3 384.488 2.275 20 30 GEEDHM C=CCCC[C@@H](C)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823894356 608589304 /nfs/dbraw/zinc/58/93/04/608589304.db2.gz OAKGQTGDGZYZCI-CQSZACIVSA-N -1 3 384.488 2.275 20 30 GEEDHM Cn1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(-c2cccs2)n1 ZINC000826359106 608667842 /nfs/dbraw/zinc/66/78/42/608667842.db2.gz WAHAKPPPLCAERU-UHFFFAOYSA-N -1 3 376.405 2.453 20 30 GEEDHM Cn1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(-c2cccs2)n1 ZINC000826359106 608667843 /nfs/dbraw/zinc/66/78/43/608667843.db2.gz WAHAKPPPLCAERU-UHFFFAOYSA-N -1 3 376.405 2.453 20 30 GEEDHM CCNc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000825476086 609177552 /nfs/dbraw/zinc/17/75/52/609177552.db2.gz AIODPHARWQGCSZ-QGZVFWFLSA-N -1 3 388.435 2.388 20 30 GEEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456704 609191463 /nfs/dbraw/zinc/19/14/63/609191463.db2.gz SMUPGZHMMYHEEL-FQEVSTJZSA-N -1 3 396.410 2.334 20 30 GEEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456704 609191464 /nfs/dbraw/zinc/19/14/64/609191464.db2.gz SMUPGZHMMYHEEL-FQEVSTJZSA-N -1 3 396.410 2.334 20 30 GEEDHM CC(C)Oc1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000824324024 609252180 /nfs/dbraw/zinc/25/21/80/609252180.db2.gz FRWOBFCTQDNKFE-QGZVFWFLSA-N -1 3 378.392 2.198 20 30 GEEDHM CC(C)Oc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000824324024 609252181 /nfs/dbraw/zinc/25/21/81/609252181.db2.gz FRWOBFCTQDNKFE-QGZVFWFLSA-N -1 3 378.392 2.198 20 30 GEEDHM N#Cc1ccc([C@@H](O)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826385019 609258493 /nfs/dbraw/zinc/25/84/93/609258493.db2.gz UCMVEXWTJNKXTK-LJQANCHMSA-N -1 3 386.415 2.088 20 30 GEEDHM N#Cc1ccc([C@@H](O)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385019 609258494 /nfs/dbraw/zinc/25/84/94/609258494.db2.gz UCMVEXWTJNKXTK-LJQANCHMSA-N -1 3 386.415 2.088 20 30 GEEDHM CCOC(=O)c1cnc(N=NC(C)c2ccc(-c3nnn[n-]3)cc2F)nc1C ZINC000825564662 609277538 /nfs/dbraw/zinc/27/75/38/609277538.db2.gz BMCPNZUWPLLKBI-UHFFFAOYSA-N -1 3 384.375 2.117 20 30 GEEDHM CCOC(=O)c1cnc(N=NC(C)c2ccc(-c3nn[n-]n3)cc2F)nc1C ZINC000825564662 609277540 /nfs/dbraw/zinc/27/75/40/609277540.db2.gz BMCPNZUWPLLKBI-UHFFFAOYSA-N -1 3 384.375 2.117 20 30 GEEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2sccc2-c2nnn[n-]2)n1 ZINC000826383223 609291247 /nfs/dbraw/zinc/29/12/47/609291247.db2.gz PYKMRAANEIKUNI-UHFFFAOYSA-N -1 3 380.368 2.377 20 30 GEEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2sccc2-c2nn[n-]n2)n1 ZINC000826383223 609291248 /nfs/dbraw/zinc/29/12/48/609291248.db2.gz PYKMRAANEIKUNI-UHFFFAOYSA-N -1 3 380.368 2.377 20 30 GEEDHM N#Cc1ccsc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826387555 609291411 /nfs/dbraw/zinc/29/14/11/609291411.db2.gz BMZZYGIWZNLUPT-UHFFFAOYSA-N -1 3 380.368 2.377 20 30 GEEDHM COc1ccc(C#N)cc1N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826186995 609408831 /nfs/dbraw/zinc/40/88/31/609408831.db2.gz UJFKTSPILYGMNO-MRXNPFEDSA-N -1 3 389.419 2.354 20 30 GEEDHM COc1ccc(C#N)cc1N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826186995 609408833 /nfs/dbraw/zinc/40/88/33/609408833.db2.gz UJFKTSPILYGMNO-MRXNPFEDSA-N -1 3 389.419 2.354 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H](OC(=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000826385210 609461220 /nfs/dbraw/zinc/46/12/20/609461220.db2.gz BMDRSCAAGSYWQQ-QGZVFWFLSA-N -1 3 388.387 2.091 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H](OC(=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000826385210 609461223 /nfs/dbraw/zinc/46/12/23/609461223.db2.gz BMDRSCAAGSYWQQ-QGZVFWFLSA-N -1 3 388.387 2.091 20 30 GEEDHM N#Cc1cc(NC(=O)c2cnn(CCC(F)(F)F)c2)ccc1-c1nnn[n-]1 ZINC000826384157 609502891 /nfs/dbraw/zinc/50/28/91/609502891.db2.gz JCDNLEVOTAURFW-UHFFFAOYSA-N -1 3 376.302 2.140 20 30 GEEDHM N#Cc1cc(NC(=O)c2cnn(CCC(F)(F)F)c2)ccc1-c1nn[n-]n1 ZINC000826384157 609502894 /nfs/dbraw/zinc/50/28/94/609502894.db2.gz JCDNLEVOTAURFW-UHFFFAOYSA-N -1 3 376.302 2.140 20 30 GEEDHM C[C@H](C#N)Oc1ccccc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000824034419 609511420 /nfs/dbraw/zinc/51/14/20/609511420.db2.gz JKONLFFSOHWYCM-RISCZKNCSA-N -1 3 395.448 2.436 20 30 GEEDHM C[C@H](C#N)Oc1ccccc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000824034419 609511423 /nfs/dbraw/zinc/51/14/23/609511423.db2.gz JKONLFFSOHWYCM-RISCZKNCSA-N -1 3 395.448 2.436 20 30 GEEDHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)nn1-c1cccc(C#N)c1 ZINC000506329253 609520608 /nfs/dbraw/zinc/52/06/08/609520608.db2.gz DYDNDPQFSREHHD-UHFFFAOYSA-N -1 3 384.403 2.163 20 30 GEEDHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)nn1-c1cccc(C#N)c1 ZINC000506329253 609520609 /nfs/dbraw/zinc/52/06/09/609520609.db2.gz DYDNDPQFSREHHD-UHFFFAOYSA-N -1 3 384.403 2.163 20 30 GEEDHM N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1Cl)CC2 ZINC000826385902 609531493 /nfs/dbraw/zinc/53/14/93/609531493.db2.gz GTEVJZZSYYBCOA-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1Cl)CC2 ZINC000826385902 609531495 /nfs/dbraw/zinc/53/14/95/609531495.db2.gz GTEVJZZSYYBCOA-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM COc1cc(C#N)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826177102 609535082 /nfs/dbraw/zinc/53/50/82/609535082.db2.gz RHECPMZAUDUJML-UHFFFAOYSA-N -1 3 391.796 2.168 20 30 GEEDHM COc1cc(C#N)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826177102 609535083 /nfs/dbraw/zinc/53/50/83/609535083.db2.gz RHECPMZAUDUJML-UHFFFAOYSA-N -1 3 391.796 2.168 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000824640456 609553088 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CC(C)(C#N)c1ccccc1COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824059171 609638462 /nfs/dbraw/zinc/63/84/62/609638462.db2.gz NWRWLPGJNKPUJT-QGZVFWFLSA-N -1 3 377.404 2.445 20 30 GEEDHM CC(C)(C#N)c1ccccc1COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824059171 609638464 /nfs/dbraw/zinc/63/84/64/609638464.db2.gz NWRWLPGJNKPUJT-QGZVFWFLSA-N -1 3 377.404 2.445 20 30 GEEDHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(C#N)cc1 ZINC000510773588 650518639 /nfs/dbraw/zinc/51/86/39/650518639.db2.gz JHZZUJRFDTXDMV-SNVBAGLBSA-N -1 3 383.882 2.429 20 30 GEEDHM Cn1ncc2c1ncc(C(=O)N[C@@H](C#N)c1ccc(Br)cc1)c2[O-] ZINC000511964581 650543255 /nfs/dbraw/zinc/54/32/55/650543255.db2.gz LZDCKEXZFCQZNF-ZDUSSCGKSA-N -1 3 386.209 2.431 20 30 GEEDHM CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000530373485 650723845 /nfs/dbraw/zinc/72/38/45/650723845.db2.gz BDEPUYJNRKEPQO-UHFFFAOYSA-N -1 3 388.467 2.031 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000532618635 650751104 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/nfs/dbraw/zinc/27/03/46/599270346.db2.gz FHUWTCXVQDTSCB-UHFFFAOYSA-N -1 3 389.398 2.075 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819709272 599285453 /nfs/dbraw/zinc/28/54/53/599285453.db2.gz AIIRAQDUBREOCO-UHFFFAOYSA-N -1 3 396.382 2.218 20 30 GEEDHM N#Cc1ccc(OCCN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737720990 598256789 /nfs/dbraw/zinc/25/67/89/598256789.db2.gz DXVLAOPIHHGBKR-UHFFFAOYSA-N -1 3 393.426 2.078 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737719464 598297752 /nfs/dbraw/zinc/29/77/52/598297752.db2.gz UWIBDGYIXUWKJD-GOSISDBHSA-N -1 3 391.410 2.163 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737719464 598297754 /nfs/dbraw/zinc/29/77/54/598297754.db2.gz UWIBDGYIXUWKJD-GOSISDBHSA-N -1 3 391.410 2.163 20 30 GEEDHM Cn1cc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cn1 ZINC000737601964 598307083 /nfs/dbraw/zinc/30/70/83/598307083.db2.gz CVTVVZCXQHWNEK-CQSZACIVSA-N -1 3 390.432 2.143 20 30 GEEDHM C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735431988 598323685 /nfs/dbraw/zinc/32/36/85/598323685.db2.gz LGLPHAFCNJQLHV-UHFFFAOYSA-N -1 3 395.398 2.243 20 30 GEEDHM C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735431988 598323686 /nfs/dbraw/zinc/32/36/86/598323686.db2.gz LGLPHAFCNJQLHV-UHFFFAOYSA-N -1 3 395.398 2.243 20 30 GEEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ncccc1OCCCC#N ZINC000736188145 598384585 /nfs/dbraw/zinc/38/45/85/598384585.db2.gz MGTDCQFIYHFABZ-ZDUSSCGKSA-N -1 3 393.407 2.350 20 30 GEEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ncccc1OCCCC#N ZINC000736188145 598384587 /nfs/dbraw/zinc/38/45/87/598384587.db2.gz MGTDCQFIYHFABZ-ZDUSSCGKSA-N -1 3 393.407 2.350 20 30 GEEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)C(=O)c1cc(F)ccc1F ZINC000736190478 598392014 /nfs/dbraw/zinc/39/20/14/598392014.db2.gz FPPHRIRMUASAAG-SSDOTTSWSA-N -1 3 387.375 2.357 20 30 GEEDHM C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)C(=O)c1cc(F)ccc1F ZINC000736190478 598392016 /nfs/dbraw/zinc/39/20/16/598392016.db2.gz FPPHRIRMUASAAG-SSDOTTSWSA-N -1 3 387.375 2.357 20 30 GEEDHM N#CCN1CCC(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000737697203 598423097 /nfs/dbraw/zinc/42/30/97/598423097.db2.gz YCXXEOXDDBTAEG-UHFFFAOYSA-N -1 3 387.447 2.251 20 30 GEEDHM N#CCN1CCC(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000737697203 598423099 /nfs/dbraw/zinc/42/30/99/598423099.db2.gz YCXXEOXDDBTAEG-UHFFFAOYSA-N -1 3 387.447 2.251 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COc1ccc(C=O)cc1 ZINC000735421385 598452270 /nfs/dbraw/zinc/45/22/70/598452270.db2.gz XXHGAOVKDDWELN-UHFFFAOYSA-N -1 3 377.404 2.273 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COc1ccc(C=O)cc1 ZINC000735421385 598452271 /nfs/dbraw/zinc/45/22/71/598452271.db2.gz XXHGAOVKDDWELN-UHFFFAOYSA-N -1 3 377.404 2.273 20 30 GEEDHM N#Cc1cnc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(Cl)c1 ZINC000737728657 598459413 /nfs/dbraw/zinc/45/94/13/598459413.db2.gz SPVINNUQENBGIY-UHFFFAOYSA-N -1 3 381.831 2.263 20 30 GEEDHM N#Cc1cnc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(Cl)c1 ZINC000737728657 598459415 /nfs/dbraw/zinc/45/94/15/598459415.db2.gz SPVINNUQENBGIY-UHFFFAOYSA-N -1 3 381.831 2.263 20 30 GEEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(Br)c1 ZINC000737673404 598463811 /nfs/dbraw/zinc/46/38/11/598463811.db2.gz ALTLVDVHVQIGRC-ZDUSSCGKSA-N -1 3 384.197 2.019 20 30 GEEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(Br)c1 ZINC000737673404 598463813 /nfs/dbraw/zinc/46/38/13/598463813.db2.gz ALTLVDVHVQIGRC-ZDUSSCGKSA-N -1 3 384.197 2.019 20 30 GEEDHM COc1ccc(COCCSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC000737097120 598492542 /nfs/dbraw/zinc/49/25/42/598492542.db2.gz IONKCMDGEOJWQJ-UHFFFAOYSA-N -1 3 383.437 2.033 20 30 GEEDHM COc1ccc(COCCSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC000737097120 598492544 /nfs/dbraw/zinc/49/25/44/598492544.db2.gz IONKCMDGEOJWQJ-UHFFFAOYSA-N -1 3 383.437 2.033 20 30 GEEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(OC(F)(F)F)cc1 ZINC000737676034 598537046 /nfs/dbraw/zinc/53/70/46/598537046.db2.gz UAHYEOVFIXAYOX-ZDUSSCGKSA-N -1 3 389.297 2.155 20 30 GEEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(OC(F)(F)F)cc1 ZINC000737676034 598537048 /nfs/dbraw/zinc/53/70/48/598537048.db2.gz UAHYEOVFIXAYOX-ZDUSSCGKSA-N -1 3 389.297 2.155 20 30 GEEDHM C=C(Br)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735398586 598560018 /nfs/dbraw/zinc/56/00/18/598560018.db2.gz JOAGAFHZCJIFBU-UHFFFAOYSA-N -1 3 389.160 2.498 20 30 GEEDHM C=C(Br)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735398586 598560020 /nfs/dbraw/zinc/56/00/20/598560020.db2.gz JOAGAFHZCJIFBU-UHFFFAOYSA-N -1 3 389.160 2.498 20 30 GEEDHM N#Cc1cc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737705932 598582563 /nfs/dbraw/zinc/58/25/63/598582563.db2.gz RUFZCWYMJGUMCT-QGZVFWFLSA-N -1 3 377.383 2.485 20 30 GEEDHM Cc1nc(SCC(=O)Nc2ccc(C#N)cn2)c(-c2nnn[n-]2)c(C)c1C ZINC000737483909 598659248 /nfs/dbraw/zinc/65/92/48/598659248.db2.gz QFOMNDLBHFBDKU-UHFFFAOYSA-N -1 3 380.437 2.184 20 30 GEEDHM Cc1nc(SCC(=O)Nc2ccc(C#N)cn2)c(-c2nn[n-]n2)c(C)c1C ZINC000737483909 598659250 /nfs/dbraw/zinc/65/92/50/598659250.db2.gz QFOMNDLBHFBDKU-UHFFFAOYSA-N -1 3 380.437 2.184 20 30 GEEDHM O=C(C=NOCc1ccc(F)cc1-c1nnn[n-]1)Nc1ccc(F)cc1F ZINC000737810519 598676543 /nfs/dbraw/zinc/67/65/43/598676543.db2.gz XUKAKYGDRHMPRZ-UHFFFAOYSA-N -1 3 376.298 2.425 20 30 GEEDHM O=C(C=NOCc1ccc(F)cc1-c1nn[n-]n1)Nc1ccc(F)cc1F ZINC000737810519 598676545 /nfs/dbraw/zinc/67/65/45/598676545.db2.gz XUKAKYGDRHMPRZ-UHFFFAOYSA-N -1 3 376.298 2.425 20 30 GEEDHM N#Cc1cc(F)ccc1CSCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737703422 598697530 /nfs/dbraw/zinc/69/75/30/598697530.db2.gz BQHYXGRJYXYAOK-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM N#Cc1cc(F)ccc1CSCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737703422 598697532 /nfs/dbraw/zinc/69/75/32/598697532.db2.gz BQHYXGRJYXYAOK-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM COCCn1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000821694937 599339345 /nfs/dbraw/zinc/33/93/45/599339345.db2.gz BLKRABOQAVPTMW-UHFFFAOYSA-N -1 3 380.334 2.174 20 30 GEEDHM COCCn1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000821694937 599339347 /nfs/dbraw/zinc/33/93/47/599339347.db2.gz BLKRABOQAVPTMW-UHFFFAOYSA-N -1 3 380.334 2.174 20 30 GEEDHM CCOc1ccccc1OCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000821437734 599381313 /nfs/dbraw/zinc/38/13/13/599381313.db2.gz RJVCLVKATDAPEX-UHFFFAOYSA-N -1 3 383.437 2.285 20 30 GEEDHM CCOc1ccccc1OCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000821437734 599381315 /nfs/dbraw/zinc/38/13/15/599381315.db2.gz RJVCLVKATDAPEX-UHFFFAOYSA-N -1 3 383.437 2.285 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCON=Cc1c(C)nc2sccn12 ZINC000821702429 599386406 /nfs/dbraw/zinc/38/64/06/599386406.db2.gz SQNZBSDKVOEDIH-UHFFFAOYSA-N -1 3 399.436 2.322 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCON=Cc1c(C)nc2sccn12 ZINC000821702429 599386409 /nfs/dbraw/zinc/38/64/09/599386409.db2.gz SQNZBSDKVOEDIH-UHFFFAOYSA-N -1 3 399.436 2.322 20 30 GEEDHM Cc1nc2sccn2c1C=NO[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822468055 599387364 /nfs/dbraw/zinc/38/73/64/599387364.db2.gz WGNNGCSMNTWSFU-NSHDSACASA-N -1 3 396.436 2.262 20 30 GEEDHM Cc1nc2sccn2c1C=NO[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822468055 599387367 /nfs/dbraw/zinc/38/73/67/599387367.db2.gz WGNNGCSMNTWSFU-NSHDSACASA-N -1 3 396.436 2.262 20 30 GEEDHM Cc1ccc(NC(=S)NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(C)c1 ZINC000737361131 599456694 /nfs/dbraw/zinc/45/66/94/599456694.db2.gz TYBRXXZWWUYRSZ-UHFFFAOYSA-N -1 3 391.464 2.452 20 30 GEEDHM Cc1ccc(NC(=S)NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(C)c1 ZINC000737361131 599456695 /nfs/dbraw/zinc/45/66/95/599456695.db2.gz TYBRXXZWWUYRSZ-UHFFFAOYSA-N -1 3 391.464 2.452 20 30 GEEDHM N#Cc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1N1CCC(O)CC1 ZINC000822822693 599460777 /nfs/dbraw/zinc/46/07/77/599460777.db2.gz BVQADRSGRWRURK-UHFFFAOYSA-N -1 3 375.436 2.312 20 30 GEEDHM N#Cc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1N1CCC(O)CC1 ZINC000822822693 599460781 /nfs/dbraw/zinc/46/07/81/599460781.db2.gz BVQADRSGRWRURK-UHFFFAOYSA-N -1 3 375.436 2.312 20 30 GEEDHM Cc1cccc2c1ncc(C#N)c2N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822335374 599490705 /nfs/dbraw/zinc/49/07/05/599490705.db2.gz KKLCEKIDUAKYES-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM Cc1cccc2c1ncc(C#N)c2N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822335374 599490707 /nfs/dbraw/zinc/49/07/07/599490707.db2.gz KKLCEKIDUAKYES-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM C=C(Cl)CNC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735402629 599508460 /nfs/dbraw/zinc/50/84/60/599508460.db2.gz ZWIQOJWJXBSZHV-UHFFFAOYSA-N -1 3 398.810 2.466 20 30 GEEDHM C=C(Cl)CNC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735402629 599508462 /nfs/dbraw/zinc/50/84/62/599508462.db2.gz ZWIQOJWJXBSZHV-UHFFFAOYSA-N -1 3 398.810 2.466 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820313062 599521179 /nfs/dbraw/zinc/52/11/79/599521179.db2.gz AAKCDTZFLMQNFL-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820313062 599521181 /nfs/dbraw/zinc/52/11/81/599521181.db2.gz AAKCDTZFLMQNFL-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000819933660 599631698 /nfs/dbraw/zinc/63/16/98/599631698.db2.gz YZCAWKOFQGGFMG-BXUZGUMPSA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000819933660 599631699 /nfs/dbraw/zinc/63/16/99/599631699.db2.gz YZCAWKOFQGGFMG-BXUZGUMPSA-N -1 3 397.439 2.370 20 30 GEEDHM N#CC1(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCCCC1 ZINC000822802035 599659001 /nfs/dbraw/zinc/65/90/01/599659001.db2.gz UMVUJZLWWVETGX-UHFFFAOYSA-N -1 3 379.380 2.434 20 30 GEEDHM N#CC1(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCCCC1 ZINC000822802035 599659002 /nfs/dbraw/zinc/65/90/02/599659002.db2.gz UMVUJZLWWVETGX-UHFFFAOYSA-N -1 3 379.380 2.434 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC000819743624 599698156 /nfs/dbraw/zinc/69/81/56/599698156.db2.gz MSTWKIWITAEOFH-DLBZAZTESA-N -1 3 383.452 2.361 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC000819743624 599698157 /nfs/dbraw/zinc/69/81/57/599698157.db2.gz MSTWKIWITAEOFH-DLBZAZTESA-N -1 3 383.452 2.361 20 30 GEEDHM N#C[C@H](C(=O)CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1nc2ccccc2c(=O)[nH]1 ZINC000739074777 599711818 /nfs/dbraw/zinc/71/18/18/599711818.db2.gz LRHMQCCYFIYUHB-IRWJRLHMSA-N -1 3 394.431 2.229 20 30 GEEDHM COc1ccc(C#N)cc1COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821769445 607414500 /nfs/dbraw/zinc/41/45/00/607414500.db2.gz HQIZMUFTALXQRK-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(C#N)cc1COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821769445 607414501 /nfs/dbraw/zinc/41/45/01/607414501.db2.gz HQIZMUFTALXQRK-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821937449 607459756 /nfs/dbraw/zinc/45/97/56/607459756.db2.gz MVRLTMWMVYKJIV-BQYQJAHWSA-N -1 3 387.396 2.273 20 30 GEEDHM CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821937449 607459757 /nfs/dbraw/zinc/45/97/57/607459757.db2.gz MVRLTMWMVYKJIV-BQYQJAHWSA-N -1 3 387.396 2.273 20 30 GEEDHM COc1ccc(CN2CCN(Cc3ccc(C#N)cc3)CC2)cc1-c1nnn[n-]1 ZINC000826194926 607482918 /nfs/dbraw/zinc/48/29/18/607482918.db2.gz ANINBIMXTXDPMB-UHFFFAOYSA-N -1 3 389.463 2.065 20 30 GEEDHM N#Cc1cc(CN2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)ccn1 ZINC000826383823 607491661 /nfs/dbraw/zinc/49/16/61/607491661.db2.gz RUMQDAQOIQDJLH-UHFFFAOYSA-N -1 3 397.446 2.004 20 30 GEEDHM N#Cc1cc(CN2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)ccn1 ZINC000826383823 607491663 /nfs/dbraw/zinc/49/16/63/607491663.db2.gz RUMQDAQOIQDJLH-UHFFFAOYSA-N -1 3 397.446 2.004 20 30 GEEDHM N#Cc1cccc([C@@H](NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)[O-])c1 ZINC000833075348 601301257 /nfs/dbraw/zinc/30/12/57/601301257.db2.gz KLNRZIFNCIMNJS-LJQANCHMSA-N -1 3 399.472 2.258 20 30 GEEDHM N#Cc1ccc(OCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000833071732 601730870 /nfs/dbraw/zinc/73/08/70/601730870.db2.gz OFLSUIGHAJXIGH-JOCHJYFZSA-N -1 3 393.443 2.173 20 30 GEEDHM N#CCOc1ccccc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833067929 601740666 /nfs/dbraw/zinc/74/06/66/601740666.db2.gz KIVFYSVHEDEZBY-JOCHJYFZSA-N -1 3 393.443 2.438 20 30 GEEDHM CN(C[C@H](O)COc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830706021 601900512 /nfs/dbraw/zinc/90/05/12/601900512.db2.gz AACHMVSLTVNHPL-UGSOOPFHSA-N -1 3 394.349 2.473 20 30 GEEDHM C=C(C)CN1CCC(NC(=O)Nc2cccc(OCCNC(=O)[O-])c2)CC1 ZINC000738485595 602679413 /nfs/dbraw/zinc/67/94/13/602679413.db2.gz MFNNGBXTVNWGBD-UHFFFAOYSA-N -1 3 376.457 2.495 20 30 GEEDHM COc1ccc(CNC(=O)c2ccccc2SCC#N)cc1-c1nnn[n-]1 ZINC000826201267 607591543 /nfs/dbraw/zinc/59/15/43/607591543.db2.gz IHAHTSFVEJDSSM-UHFFFAOYSA-N -1 3 380.433 2.421 20 30 GEEDHM COc1ccc(CNC(=O)c2ccccc2SCC#N)cc1-c1nn[n-]n1 ZINC000826201267 607591545 /nfs/dbraw/zinc/59/15/45/607591545.db2.gz IHAHTSFVEJDSSM-UHFFFAOYSA-N -1 3 380.433 2.421 20 30 GEEDHM N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826384697 607601324 /nfs/dbraw/zinc/60/13/24/607601324.db2.gz GGFOJCLZAAFHAG-UHFFFAOYSA-N -1 3 398.423 2.231 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824641620 607655735 /nfs/dbraw/zinc/65/57/35/607655735.db2.gz XPNDRNKPPLEDGL-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824641620 607655737 /nfs/dbraw/zinc/65/57/37/607655737.db2.gz XPNDRNKPPLEDGL-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)cc1OC ZINC000829442891 604221819 /nfs/dbraw/zinc/22/18/19/604221819.db2.gz SPCIYHDSXXCNAP-OUCADQQQSA-N -1 3 389.408 2.178 20 30 GEEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cc1Cl ZINC000829443116 604221824 /nfs/dbraw/zinc/22/18/24/604221824.db2.gz YRGXLBACEHDHPU-CKYFFXLPSA-N -1 3 379.800 2.432 20 30 GEEDHM N#CCC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826381656 607680145 /nfs/dbraw/zinc/68/01/45/607680145.db2.gz UBIQHDKAFZFJQQ-OAHLLOKOSA-N -1 3 386.412 2.329 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000826245758 607690623 /nfs/dbraw/zinc/69/06/23/607690623.db2.gz HEVRIRZUORFEJW-GOSISDBHSA-N -1 3 387.447 2.025 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000826245758 607690625 /nfs/dbraw/zinc/69/06/25/607690625.db2.gz HEVRIRZUORFEJW-GOSISDBHSA-N -1 3 387.447 2.025 20 30 GEEDHM CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000827015588 604515339 /nfs/dbraw/zinc/51/53/39/604515339.db2.gz FEILYNUGISWJME-TZMCWYRMSA-N -1 3 375.450 2.283 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2nc(C(F)(F)F)cs2)nc1N ZINC000826383787 607710614 /nfs/dbraw/zinc/71/06/14/607710614.db2.gz QAWIPKIBRTXBFF-UHFFFAOYSA-N -1 3 384.372 2.483 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2nc(C(F)(F)F)cs2)nc1N ZINC000826383787 607710616 /nfs/dbraw/zinc/71/06/16/607710616.db2.gz QAWIPKIBRTXBFF-UHFFFAOYSA-N -1 3 384.372 2.483 20 30 GEEDHM CCOC(=O)Nc1ccc(NC(=O)C#Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000825522058 607760554 /nfs/dbraw/zinc/76/05/54/607760554.db2.gz ATXCJOCFFDWSQA-UHFFFAOYSA-N -1 3 376.376 2.425 20 30 GEEDHM CCOC(=O)Nc1ccc(NC(=O)C#Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000825522058 607760555 /nfs/dbraw/zinc/76/05/55/607760555.db2.gz ATXCJOCFFDWSQA-UHFFFAOYSA-N -1 3 376.376 2.425 20 30 GEEDHM C=C(C)COc1cc(CN2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])ccc1OC ZINC000833369273 605727200 /nfs/dbraw/zinc/72/72/00/605727200.db2.gz NWWGHLJUZQYQQK-JKSUJKDBSA-N -1 3 377.437 2.488 20 30 GEEDHM C=C(C)COc1cc(CN2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])ccc1OC ZINC000833369270 605727274 /nfs/dbraw/zinc/72/72/74/605727274.db2.gz NWWGHLJUZQYQQK-CVEARBPZSA-N -1 3 377.437 2.488 20 30 GEEDHM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000833829450 605894937 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N#CCCN(Cc1ccco1)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822811309 606191514 /nfs/dbraw/zinc/19/15/14/606191514.db2.gz VLUXHZLPQGPMRM-UHFFFAOYSA-N -1 3 376.380 2.426 20 30 GEEDHM N#CCCN(Cc1ccco1)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822811309 606191516 /nfs/dbraw/zinc/19/15/16/606191516.db2.gz VLUXHZLPQGPMRM-UHFFFAOYSA-N -1 3 376.380 2.426 20 30 GEEDHM CCOc1ccc(C#N)cc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821418328 606246794 /nfs/dbraw/zinc/24/67/94/606246794.db2.gz ZTQKUGHVDMFASK-ZDUSSCGKSA-N -1 3 395.448 2.416 20 30 GEEDHM CCOc1ccc(C#N)cc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821418328 606246795 /nfs/dbraw/zinc/24/67/95/606246795.db2.gz ZTQKUGHVDMFASK-ZDUSSCGKSA-N -1 3 395.448 2.416 20 30 GEEDHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000821411838 606246803 /nfs/dbraw/zinc/24/68/03/606246803.db2.gz CBBCTDOEAIADEM-INIZCTEOSA-N -1 3 389.419 2.354 20 30 GEEDHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000821411838 606246804 /nfs/dbraw/zinc/24/68/04/606246804.db2.gz CBBCTDOEAIADEM-INIZCTEOSA-N -1 3 389.419 2.354 20 30 GEEDHM CN(C)S(=O)(=O)c1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821588548 606303234 /nfs/dbraw/zinc/30/32/34/606303234.db2.gz XXQPGRMCRJQCTF-YVMONPNESA-N -1 3 389.462 2.075 20 30 GEEDHM CN(C)S(=O)(=O)c1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821588548 606303236 /nfs/dbraw/zinc/30/32/36/606303236.db2.gz XXQPGRMCRJQCTF-YVMONPNESA-N -1 3 389.462 2.075 20 30 GEEDHM CN(C)S(=O)(=O)c1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821588471 606305385 /nfs/dbraw/zinc/30/53/85/606305385.db2.gz UVKIWZATSCWARD-VOTSOKGWSA-N -1 3 389.462 2.075 20 30 GEEDHM CN(C)S(=O)(=O)c1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821588471 606305388 /nfs/dbraw/zinc/30/53/88/606305388.db2.gz UVKIWZATSCWARD-VOTSOKGWSA-N -1 3 389.462 2.075 20 30 GEEDHM C=CCOc1ccccc1CN[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000819759388 606305737 /nfs/dbraw/zinc/30/57/37/606305737.db2.gz VWYASWPDCYNGPN-SFHVURJKSA-N -1 3 379.420 2.435 20 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ZINC000822801599 606432997 /nfs/dbraw/zinc/43/29/97/606432997.db2.gz KRZWCAGXVKDIIC-ROUUACIJSA-N -1 3 394.460 2.327 20 30 GEEDHM C=CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1nc(C(=O)OCC)cs1 ZINC000819740141 606498382 /nfs/dbraw/zinc/49/83/82/606498382.db2.gz RADJSCBZWMBCMU-UHFFFAOYSA-N -1 3 390.450 2.394 20 30 GEEDHM C=CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1nc(C(=O)OCC)cs1 ZINC000819740141 606498383 /nfs/dbraw/zinc/49/83/83/606498383.db2.gz RADJSCBZWMBCMU-UHFFFAOYSA-N -1 3 390.450 2.394 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@@H](C)n1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000819739793 606616063 /nfs/dbraw/zinc/61/60/63/606616063.db2.gz HWFWXINLWINKJV-CYBMUJFWSA-N -1 3 378.440 2.195 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@@H](C)n1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000819739793 606616064 /nfs/dbraw/zinc/61/60/64/606616064.db2.gz HWFWXINLWINKJV-CYBMUJFWSA-N -1 3 378.440 2.195 20 30 GEEDHM Brc1cn2ccnc2c(N=NCc2ccc(-c3nnn[n-]3)s2)n1 ZINC000819688108 606623055 /nfs/dbraw/zinc/62/30/55/606623055.db2.gz DDCYXQAYGIWTQB-UHFFFAOYSA-N 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ZINC000822836995 606793694 /nfs/dbraw/zinc/79/36/94/606793694.db2.gz DLSJYZRYRHSGRM-UHFFFAOYSA-N -1 3 375.797 2.301 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccn2ccnc2c1 ZINC000819745587 606813900 /nfs/dbraw/zinc/81/39/00/606813900.db2.gz KZGIIXZUCHWCHL-UHFFFAOYSA-N -1 3 388.435 2.412 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccn2ccnc2c1 ZINC000819745587 606813902 /nfs/dbraw/zinc/81/39/02/606813902.db2.gz KZGIIXZUCHWCHL-UHFFFAOYSA-N -1 3 388.435 2.412 20 30 GEEDHM C=CCN(CC=C)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000819739652 606899959 /nfs/dbraw/zinc/89/99/59/606899959.db2.gz BQKXMTQZPBPRAR-UHFFFAOYSA-N -1 3 395.341 2.243 20 30 GEEDHM C=CCN(CC=C)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819739652 606899960 /nfs/dbraw/zinc/89/99/60/606899960.db2.gz BQKXMTQZPBPRAR-UHFFFAOYSA-N -1 3 395.341 2.243 20 30 GEEDHM C=CCC(CC=C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819734831 606942693 /nfs/dbraw/zinc/94/26/93/606942693.db2.gz UXNOLPKUOLZQRM-INIZCTEOSA-N -1 3 398.492 2.475 20 30 GEEDHM C=CCC(CC=C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819734831 606942695 /nfs/dbraw/zinc/94/26/95/606942695.db2.gz UXNOLPKUOLZQRM-INIZCTEOSA-N -1 3 398.492 2.475 20 30 GEEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(C#N)cc1F ZINC000819997062 607021788 /nfs/dbraw/zinc/02/17/88/607021788.db2.gz PCADHDSLBVXCKE-UHFFFAOYSA-N -1 3 380.383 2.351 20 30 GEEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(C#N)cc1F ZINC000819997062 607021790 /nfs/dbraw/zinc/02/17/90/607021790.db2.gz PCADHDSLBVXCKE-UHFFFAOYSA-N -1 3 380.383 2.351 20 30 GEEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cc(C#N)ccc1F ZINC000819996821 607048895 /nfs/dbraw/zinc/04/88/95/607048895.db2.gz KESAYHFXNHPWOW-UHFFFAOYSA-N -1 3 380.383 2.351 20 30 GEEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cc(C#N)ccc1F ZINC000819996821 607048897 /nfs/dbraw/zinc/04/88/97/607048897.db2.gz KESAYHFXNHPWOW-UHFFFAOYSA-N -1 3 380.383 2.351 20 30 GEEDHM CCNc1ccc(C#N)cc1NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000821309239 607102555 /nfs/dbraw/zinc/10/25/55/607102555.db2.gz LGIQLMWRGAIHGC-UHFFFAOYSA-N -1 3 393.407 2.196 20 30 GEEDHM CCNc1ccc(C#N)cc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000821309239 607102557 /nfs/dbraw/zinc/10/25/57/607102557.db2.gz LGIQLMWRGAIHGC-UHFFFAOYSA-N -1 3 393.407 2.196 20 30 GEEDHM C[C@@H](OC(=O)C1(C#N)CC(C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820643143 607112592 /nfs/dbraw/zinc/11/25/92/607112592.db2.gz QTXQRKXCZRYQME-RIHZTJQASA-N -1 3 388.815 2.330 20 30 GEEDHM C[C@@H](OC(=O)C1(C#N)CC(C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820643143 607112593 /nfs/dbraw/zinc/11/25/93/607112593.db2.gz QTXQRKXCZRYQME-RIHZTJQASA-N -1 3 388.815 2.330 20 30 GEEDHM N#Cc1cccnc1NCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822842367 607195732 /nfs/dbraw/zinc/19/57/32/607195732.db2.gz FEHOGRLYKCBIPR-UHFFFAOYSA-N -1 3 383.803 2.020 20 30 GEEDHM N#Cc1cccnc1NCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822842367 607195733 /nfs/dbraw/zinc/19/57/33/607195733.db2.gz FEHOGRLYKCBIPR-UHFFFAOYSA-N -1 3 383.803 2.020 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000826175576 607824331 /nfs/dbraw/zinc/82/43/31/607824331.db2.gz JOFMALDTGAFCLF-CYBMUJFWSA-N -1 3 384.440 2.185 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000826175576 607824332 /nfs/dbraw/zinc/82/43/32/607824332.db2.gz JOFMALDTGAFCLF-CYBMUJFWSA-N -1 3 384.440 2.185 20 30 GEEDHM C#CCOCCC(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000823856669 607881590 /nfs/dbraw/zinc/88/15/90/607881590.db2.gz VUURAIUJOYMYHN-UHFFFAOYSA-N -1 3 378.392 2.341 20 30 GEEDHM N#CC1(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCSCC1 ZINC000826379979 607909567 /nfs/dbraw/zinc/90/95/67/607909567.db2.gz IXHYXKJCEMOIIG-UHFFFAOYSA-N -1 3 386.481 2.321 20 30 GEEDHM N#CC1(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCSCC1 ZINC000826379979 607909568 /nfs/dbraw/zinc/90/95/68/607909568.db2.gz IXHYXKJCEMOIIG-UHFFFAOYSA-N -1 3 386.481 2.321 20 30 GEEDHM C[C@@H](OC(=O)c1ccc(CC#N)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824721718 607978535 /nfs/dbraw/zinc/97/85/35/607978535.db2.gz CXUDQYVSITXWRD-GFCCVEGCSA-N -1 3 376.376 2.117 20 30 GEEDHM C[C@@H](OC(=O)c1ccc(CC#N)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824721718 607978536 /nfs/dbraw/zinc/97/85/36/607978536.db2.gz CXUDQYVSITXWRD-GFCCVEGCSA-N -1 3 376.376 2.117 20 30 GEEDHM N#CCc1ccc(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826382692 607979094 /nfs/dbraw/zinc/97/90/94/607979094.db2.gz QNMZPGLQLLIMFA-UHFFFAOYSA-N -1 3 396.794 2.382 20 30 GEEDHM N#CCc1ccc(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826382692 607979095 /nfs/dbraw/zinc/97/90/95/607979095.db2.gz QNMZPGLQLLIMFA-UHFFFAOYSA-N -1 3 396.794 2.382 20 30 GEEDHM N#Cc1ccccc1OCCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826386986 608070592 /nfs/dbraw/zinc/07/05/92/608070592.db2.gz ATUZJJUHFVNXCT-LJQANCHMSA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1ccccc1OCCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826386986 608070593 /nfs/dbraw/zinc/07/05/93/608070593.db2.gz ATUZJJUHFVNXCT-LJQANCHMSA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1ccc(CCC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826384886 608083958 /nfs/dbraw/zinc/08/39/58/608083958.db2.gz NRLMADYWZVPSAI-IBGZPJMESA-N -1 3 388.431 2.271 20 30 GEEDHM N#Cc1ccc(CCC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826384886 608083959 /nfs/dbraw/zinc/08/39/59/608083959.db2.gz NRLMADYWZVPSAI-IBGZPJMESA-N -1 3 388.431 2.271 20 30 GEEDHM CC#CCn1c(-c2cnn(C)c2)csc1=Nc1ccccc1-c1nnn[n-]1 ZINC000823943119 608094913 /nfs/dbraw/zinc/09/49/13/608094913.db2.gz NUONVVDKPJESPN-UHFFFAOYSA-N -1 3 376.449 2.386 20 30 GEEDHM CC#CCn1c(-c2cnn(C)c2)csc1=Nc1ccccc1-c1nn[n-]n1 ZINC000823943119 608094914 /nfs/dbraw/zinc/09/49/14/608094914.db2.gz NUONVVDKPJESPN-UHFFFAOYSA-N -1 3 376.449 2.386 20 30 GEEDHM COCC#CCOC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826147514 608104391 /nfs/dbraw/zinc/10/43/91/608104391.db2.gz ZRKHXXOOQFWVTQ-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM COCC#CCOC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826147514 608104392 /nfs/dbraw/zinc/10/43/92/608104392.db2.gz ZRKHXXOOQFWVTQ-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000823909588 608120174 /nfs/dbraw/zinc/12/01/74/608120174.db2.gz KHGPROZZHAZFEN-OAHLLOKOSA-N -1 3 393.447 2.341 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000823909588 608120175 /nfs/dbraw/zinc/12/01/75/608120175.db2.gz KHGPROZZHAZFEN-OAHLLOKOSA-N -1 3 393.447 2.341 20 30 GEEDHM C#CCOCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823856350 608133466 /nfs/dbraw/zinc/13/34/66/608133466.db2.gz PCIXZLGQALQRJJ-UHFFFAOYSA-N -1 3 379.445 2.398 20 30 GEEDHM C#CCOCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823856350 608133467 /nfs/dbraw/zinc/13/34/67/608133467.db2.gz PCIXZLGQALQRJJ-UHFFFAOYSA-N -1 3 379.445 2.398 20 30 GEEDHM N#Cc1cc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384087 608163707 /nfs/dbraw/zinc/16/37/07/608163707.db2.gz GMBALBBKXWTNBP-UHFFFAOYSA-N -1 3 399.754 2.317 20 30 GEEDHM CCn1c(NC(=O)COc2ccccc2C#N)nc2cc(-c3nnn[n-]3)ccc21 ZINC000825793444 608175963 /nfs/dbraw/zinc/17/59/63/608175963.db2.gz VPCPTKMSTIPWBS-UHFFFAOYSA-N -1 3 388.391 2.125 20 30 GEEDHM CCn1c(NC(=O)COc2ccccc2C#N)nc2cc(-c3nn[n-]n3)ccc21 ZINC000825793444 608175964 /nfs/dbraw/zinc/17/59/64/608175964.db2.gz VPCPTKMSTIPWBS-UHFFFAOYSA-N -1 3 388.391 2.125 20 30 GEEDHM C[C@H]1CC(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)=NO1 ZINC000824892534 608207666 /nfs/dbraw/zinc/20/76/66/608207666.db2.gz JZDWBEFQFGWPQB-LBPRGKRZSA-N -1 3 378.392 2.298 20 30 GEEDHM C[C@H]1CC(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)=NO1 ZINC000824892534 608207669 /nfs/dbraw/zinc/20/76/69/608207669.db2.gz JZDWBEFQFGWPQB-LBPRGKRZSA-N -1 3 378.392 2.298 20 30 GEEDHM CS(=O)(=O)c1cccc(Cl)c1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826224080 608289997 /nfs/dbraw/zinc/28/99/97/608289997.db2.gz NKCTYGBTKFFQPJ-UHFFFAOYSA-N -1 3 376.829 2.370 20 30 GEEDHM O=C(NC1CC1)c1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826429178 608536516 /nfs/dbraw/zinc/53/65/16/608536516.db2.gz WCDFSRDHJFXRDU-UHFFFAOYSA-N -1 3 382.815 2.253 20 30 GEEDHM O=C(NC1CC1)c1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826429178 608536518 /nfs/dbraw/zinc/53/65/18/608536518.db2.gz WCDFSRDHJFXRDU-UHFFFAOYSA-N -1 3 382.815 2.253 20 30 GEEDHM COc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc2c1OCCO2 ZINC000826179066 608540267 /nfs/dbraw/zinc/54/02/67/608540267.db2.gz YAVURRWEABFARO-UHFFFAOYSA-N -1 3 387.787 2.141 20 30 GEEDHM COc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc2c1OCCO2 ZINC000826179066 608540268 /nfs/dbraw/zinc/54/02/68/608540268.db2.gz YAVURRWEABFARO-UHFFFAOYSA-N -1 3 387.787 2.141 20 30 GEEDHM N#C[C@H]1CSCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826380730 608547992 /nfs/dbraw/zinc/54/79/92/608547992.db2.gz KUMITWLSNZSSIN-LBPRGKRZSA-N -1 3 396.432 2.120 20 30 GEEDHM N#C[C@H]1CSCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826380730 608547993 /nfs/dbraw/zinc/54/79/93/608547993.db2.gz KUMITWLSNZSSIN-LBPRGKRZSA-N -1 3 396.432 2.120 20 30 GEEDHM C=CCOCCCC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823926082 608602311 /nfs/dbraw/zinc/60/23/11/608602311.db2.gz YSOFTSHENVCJCE-UHFFFAOYSA-N -1 3 386.456 2.051 20 30 GEEDHM C=CCOCCCC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823926082 608602314 /nfs/dbraw/zinc/60/23/14/608602314.db2.gz YSOFTSHENVCJCE-UHFFFAOYSA-N -1 3 386.456 2.051 20 30 GEEDHM C=CCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823909377 608631269 /nfs/dbraw/zinc/63/12/69/608631269.db2.gz AWGPBVRSFLJZHY-UHFFFAOYSA-N -1 3 383.477 2.458 20 30 GEEDHM C=CCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823909377 608631271 /nfs/dbraw/zinc/63/12/71/608631271.db2.gz AWGPBVRSFLJZHY-UHFFFAOYSA-N -1 3 383.477 2.458 20 30 GEEDHM COc1ccc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC000826200337 609164678 /nfs/dbraw/zinc/16/46/78/609164678.db2.gz KVYFRDSWBUKESB-GFCCVEGCSA-N -1 3 393.407 2.488 20 30 GEEDHM COc1ccc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC000826200337 609164680 /nfs/dbraw/zinc/16/46/80/609164680.db2.gz KVYFRDSWBUKESB-GFCCVEGCSA-N -1 3 393.407 2.488 20 30 GEEDHM CCNc1ccc(C#N)cc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825480658 609178006 /nfs/dbraw/zinc/17/80/06/609178006.db2.gz FJGQYZWRQWOGCH-QGZVFWFLSA-N -1 3 388.435 2.388 20 30 GEEDHM CCNc1ccc(C#N)cc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825480658 609178008 /nfs/dbraw/zinc/17/80/08/609178008.db2.gz FJGQYZWRQWOGCH-QGZVFWFLSA-N -1 3 388.435 2.388 20 30 GEEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823909530 609207232 /nfs/dbraw/zinc/20/72/32/609207232.db2.gz HZKQAJMHOGIWBA-GOSISDBHSA-N -1 3 379.420 2.124 20 30 GEEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823909530 609207233 /nfs/dbraw/zinc/20/72/33/609207233.db2.gz HZKQAJMHOGIWBA-GOSISDBHSA-N -1 3 379.420 2.124 20 30 GEEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824292856 609214919 /nfs/dbraw/zinc/21/49/19/609214919.db2.gz BRHSNSYGANSSSQ-SFHVURJKSA-N -1 3 376.420 2.209 20 30 GEEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824292856 609214921 /nfs/dbraw/zinc/21/49/21/609214921.db2.gz BRHSNSYGANSSSQ-SFHVURJKSA-N -1 3 376.420 2.209 20 30 GEEDHM C=CCNC(=O)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823919227 609270404 /nfs/dbraw/zinc/27/04/04/609270404.db2.gz ABCXTTIAMFMGDR-UHFFFAOYSA-N -1 3 393.407 2.083 20 30 GEEDHM C=CCNC(=O)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823919227 609270406 /nfs/dbraw/zinc/27/04/06/609270406.db2.gz ABCXTTIAMFMGDR-UHFFFAOYSA-N -1 3 393.407 2.083 20 30 GEEDHM CC(=NNc1nc2ccccc2c(=O)n1C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823963100 609275847 /nfs/dbraw/zinc/27/58/47/609275847.db2.gz VJSNKDKYQKOMAW-UHFFFAOYSA-N -1 3 378.371 2.089 20 30 GEEDHM CC(=NNc1nc2ccccc2c(=O)n1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823963100 609275850 /nfs/dbraw/zinc/27/58/50/609275850.db2.gz VJSNKDKYQKOMAW-UHFFFAOYSA-N -1 3 378.371 2.089 20 30 GEEDHM Cn1cc(C=Nn2cnnc2-c2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360264 609304881 /nfs/dbraw/zinc/30/48/81/609304881.db2.gz DEBRECOKRXSNKI-UHFFFAOYSA-N -1 3 396.418 2.408 20 30 GEEDHM Cn1cc(C=Nn2cnnc2-c2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360264 609304884 /nfs/dbraw/zinc/30/48/84/609304884.db2.gz DEBRECOKRXSNKI-UHFFFAOYSA-N -1 3 396.418 2.408 20 30 GEEDHM Cn1cc(CN=Nc2ccc(Cl)nn2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360415 609305019 /nfs/dbraw/zinc/30/50/19/609305019.db2.gz JMBNIJDDGKKRHS-UHFFFAOYSA-N -1 3 380.803 2.157 20 30 GEEDHM Cn1cc(CN=Nc2ccc(Cl)nn2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360415 609305020 /nfs/dbraw/zinc/30/50/20/609305020.db2.gz JMBNIJDDGKKRHS-UHFFFAOYSA-N -1 3 380.803 2.157 20 30 GEEDHM CCOC(=O)c1cnc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)nc1C ZINC000825565612 609305563 /nfs/dbraw/zinc/30/55/63/609305563.db2.gz WNTYIHYOUVPVJS-UHFFFAOYSA-N -1 3 391.395 2.069 20 30 GEEDHM CCOC(=O)c1cnc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)nc1C ZINC000825565612 609305566 /nfs/dbraw/zinc/30/55/66/609305566.db2.gz WNTYIHYOUVPVJS-UHFFFAOYSA-N -1 3 391.395 2.069 20 30 GEEDHM Cn1cc(C=NN2CCc3ccccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359494 609306745 /nfs/dbraw/zinc/30/67/45/609306745.db2.gz INVQBSPHMVMWTJ-UHFFFAOYSA-N -1 3 398.430 2.300 20 30 GEEDHM Cn1cc(C=NN2CCc3ccccc3C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359494 609306746 /nfs/dbraw/zinc/30/67/46/609306746.db2.gz INVQBSPHMVMWTJ-UHFFFAOYSA-N -1 3 398.430 2.300 20 30 GEEDHM N#C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000826381162 609381880 /nfs/dbraw/zinc/38/18/80/609381880.db2.gz ZMLLWRCOLWKRRW-CYBMUJFWSA-N -1 3 376.376 2.024 20 30 GEEDHM N#C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000826381162 609381883 /nfs/dbraw/zinc/38/18/83/609381883.db2.gz ZMLLWRCOLWKRRW-CYBMUJFWSA-N -1 3 376.376 2.024 20 30 GEEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(C#N)ccc1OC ZINC000826162126 609483840 /nfs/dbraw/zinc/48/38/40/609483840.db2.gz OHOVUCWSEZQNCK-UHFFFAOYSA-N -1 3 380.408 2.384 20 30 GEEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(C#N)ccc1OC ZINC000826162126 609483842 /nfs/dbraw/zinc/48/38/42/609483842.db2.gz OHOVUCWSEZQNCK-UHFFFAOYSA-N -1 3 380.408 2.384 20 30 GEEDHM COCCOc1ccc(C#N)cc1NCc1cc(-c2nnn[n-]2)ccc1OC ZINC000826162752 609484194 /nfs/dbraw/zinc/48/41/94/609484194.db2.gz QVXKJFNQZFHYSF-UHFFFAOYSA-N -1 3 380.408 2.384 20 30 GEEDHM COCCOc1ccc(C#N)cc1NCc1cc(-c2nn[n-]n2)ccc1OC ZINC000826162752 609484196 /nfs/dbraw/zinc/48/41/96/609484196.db2.gz QVXKJFNQZFHYSF-UHFFFAOYSA-N -1 3 380.408 2.384 20 30 GEEDHM COCCOc1ccc(C#N)cc1NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826162829 609484218 /nfs/dbraw/zinc/48/42/18/609484218.db2.gz UHJSWZKFXKQCIC-UHFFFAOYSA-N -1 3 380.408 2.384 20 30 GEEDHM COCCOc1ccc(C#N)cc1NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826162829 609484220 /nfs/dbraw/zinc/48/42/20/609484220.db2.gz UHJSWZKFXKQCIC-UHFFFAOYSA-N -1 3 380.408 2.384 20 30 GEEDHM COc1cccc(O)c1C=N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826217218 609505164 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C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1c(F)ccc(Br)c1F ZINC000556411455 651243481 /nfs/dbraw/zinc/24/34/81/651243481.db2.gz FSZKPHVAMGHMSW-UHFFFAOYSA-N -1 3 394.197 2.184 20 30 GEEDHM C=CCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000563222872 651517129 /nfs/dbraw/zinc/51/71/29/651517129.db2.gz SBPLZRXTXDCWSN-UHFFFAOYSA-N -1 3 385.511 2.175 20 30 GEEDHM CN1CCC(C#N)(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000609577569 651624604 /nfs/dbraw/zinc/62/46/04/651624604.db2.gz UMEMYKSUSKRLCN-UHFFFAOYSA-N -1 3 389.253 2.008 20 30 GEEDHM COC(=O)[C@@](C)([N-]S(=O)(=O)CCCC#N)c1cccc(Br)c1 ZINC000732221516 651648856 /nfs/dbraw/zinc/64/88/56/651648856.db2.gz DEFVBJIWYQFPHM-AWEZNQCLSA-N -1 3 389.271 2.060 20 30 GEEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1cccs1 ZINC000613337685 651783329 /nfs/dbraw/zinc/78/33/29/651783329.db2.gz YEJCDLPAECWSJT-GFCCVEGCSA-N -1 3 380.447 2.211 20 30 GEEDHM Cc1ncsc1COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744099198 652035029 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Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)nn1-c1ccccc1Br ZINC000820544505 653776508 /nfs/dbraw/zinc/77/65/08/653776508.db2.gz MHLAKKALNUTXEA-LBPRGKRZSA-N -1 3 393.241 2.053 20 30 GEEDHM Cc1c(Br)c(C)n([N-]C(=O)c2cccc([N+](=O)[O-])c2)c(=O)c1C#N ZINC000791173712 653804766 /nfs/dbraw/zinc/80/47/66/653804766.db2.gz VKIYDTZLXDKQOE-UHFFFAOYSA-N -1 3 391.181 2.391 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)C(F)(F)F)cc1Cl ZINC000882780371 653806769 /nfs/dbraw/zinc/80/67/69/653806769.db2.gz CESTXPLTKXPHJZ-SECBINFHSA-N -1 3 378.706 2.048 20 30 GEEDHM C=CCOc1c(Br)cc(CN[C@@H]2CCCN([O-])C2=O)cc1OC ZINC000895164634 653821029 /nfs/dbraw/zinc/82/10/29/653821029.db2.gz FWPACUYCZYOCFP-CYBMUJFWSA-N -1 3 385.258 2.492 20 30 GEEDHM N#Cc1cccnc1NCCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826387362 653950343 /nfs/dbraw/zinc/95/03/43/653950343.db2.gz RJDZDIZXNIRWCT-UHFFFAOYSA-N -1 3 385.229 2.420 20 30 GEEDHM N#Cc1cccnc1NCCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826387362 653950346 /nfs/dbraw/zinc/95/03/46/653950346.db2.gz RJDZDIZXNIRWCT-UHFFFAOYSA-N -1 3 385.229 2.420 20 30 GEEDHM C#CCC1([N-]S(=O)(=O)c2ccc(Br)cc2F)CCOCC1 ZINC000885840530 653959249 /nfs/dbraw/zinc/95/92/49/653959249.db2.gz GGENYKAKEWESHJ-UHFFFAOYSA-N -1 3 376.247 2.439 20 30 GEEDHM O=c1nc(C=N[O-])ccn1Cc1ccc(I)c(Cl)c1 ZINC000797844160 654044083 /nfs/dbraw/zinc/04/40/83/654044083.db2.gz AZYKYXAPNGLUBX-UHFFFAOYSA-N -1 3 389.580 2.358 20 30 GEEDHM C=CC(C)(C)NS(=O)(=O)CCCCS(=O)(=O)[N-]C(C)(C)C(C)(F)F ZINC000903702817 654280098 /nfs/dbraw/zinc/28/00/98/654280098.db2.gz IZADFJKSKHWHEA-UHFFFAOYSA-N -1 3 390.518 2.004 20 30 GEEDHM C#C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccc(Cl)cc1F ZINC000804419047 654309108 /nfs/dbraw/zinc/30/91/08/654309108.db2.gz CCNWVIPRMDYOPR-AWEZNQCLSA-N -1 3 384.816 2.393 20 30 GEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(C)CC(F)(F)C2)ccc1F ZINC000893364356 654398526 /nfs/dbraw/zinc/39/85/26/654398526.db2.gz QUZMLPODFZNKIC-UHFFFAOYSA-N -1 3 376.400 2.455 20 30 GEEDHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 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20 30 GEEDHM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000592081396 532439169 /nfs/dbraw/zinc/43/91/69/532439169.db2.gz AJYLVYPYXQQEJQ-QWRGUYRKSA-N -1 3 375.288 2.396 20 30 GEEDHM COc1ccc(Br)cc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428240981 532448182 /nfs/dbraw/zinc/44/81/82/532448182.db2.gz QMFKQLALZPRWQO-UHFFFAOYSA-N -1 3 382.239 2.203 20 30 GEEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000428409056 532451885 /nfs/dbraw/zinc/45/18/85/532451885.db2.gz AXOSJTJNULBFIB-LLVKDONJSA-N -1 3 380.832 2.303 20 30 GEEDHM CC[C@H](C)NS(=O)(=O)c1cccc([N-]S(=O)(=O)CCC(C)(C)C#N)c1 ZINC000519550815 532469070 /nfs/dbraw/zinc/46/90/70/532469070.db2.gz VLBZPKHDRVVZOH-ZDUSSCGKSA-N -1 3 387.527 2.445 20 30 GEEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H](CO)c1ccsc1 ZINC000519780627 532477791 /nfs/dbraw/zinc/47/77/91/532477791.db2.gz USVDOCLXWWDXCE-LBPRGKRZSA-N -1 3 387.280 2.394 20 30 GEEDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)Cc1cccc(C)c1 ZINC000593542600 532486113 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Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)[C@H]1CN(C)CCO1 ZINC000594774496 532526085 /nfs/dbraw/zinc/52/60/85/532526085.db2.gz FQKNEWOSXGIIFJ-IUODEOHRSA-N -1 3 379.507 2.079 20 30 GEEDHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000594799216 532531972 /nfs/dbraw/zinc/53/19/72/532531972.db2.gz JMPRVXNVUOJINN-NSHDSACASA-N -1 3 386.315 2.472 20 30 GEEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000283311491 532532117 /nfs/dbraw/zinc/53/21/17/532532117.db2.gz WJNNSRQTQMUZAY-VIFPVBQESA-N -1 3 382.301 2.096 20 30 GEEDHM Cc1nccn1C[C@H](C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000565837148 532579113 /nfs/dbraw/zinc/57/91/13/532579113.db2.gz LDBGJTYNOBFHIB-LLVKDONJSA-N -1 3 397.298 2.440 20 30 GEEDHM CC[C@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435426237 532616804 /nfs/dbraw/zinc/61/68/04/532616804.db2.gz GYHAPGWNHAZONJ-GFCCVEGCSA-N -1 3 384.504 2.151 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCC(=O)N2Cc3ccccc3C2)s1 ZINC000435426407 532617520 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C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000452030602 532770985 /nfs/dbraw/zinc/77/09/85/532770985.db2.gz NZJBBZOQLVWKPH-SNVBAGLBSA-N -1 3 394.287 2.072 20 30 GEEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000452032566 532771695 /nfs/dbraw/zinc/77/16/95/532771695.db2.gz WNTJDUPFDPEFHA-ZFWWWQNUSA-N -1 3 389.901 2.361 20 30 GEEDHM CCCOc1ccc(/C=N/C[C@H](O)CS(=O)(=O)c2cccs2)c([O-])c1 ZINC000269703968 532786992 /nfs/dbraw/zinc/78/69/92/532786992.db2.gz NUUMHYBZQPUWFM-XKYMITNMSA-N -1 3 383.491 2.496 20 30 GEEDHM Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000287240345 532787956 /nfs/dbraw/zinc/78/79/56/532787956.db2.gz GXCXZGLBTGYZPV-AWEZNQCLSA-N -1 3 395.282 2.410 20 30 GEEDHM CCNC(=O)C1(C[N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)CCC1 ZINC000330154809 532815481 /nfs/dbraw/zinc/81/54/81/532815481.db2.gz XXUVFJXMXKPJIS-UHFFFAOYSA-N -1 3 385.877 2.116 20 30 GEEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCCc2c[nH]nc21 ZINC000288198951 532820872 /nfs/dbraw/zinc/82/08/72/532820872.db2.gz QBUMWPGHWCQZOP-GFCCVEGCSA-N -1 3 381.255 2.400 20 30 GEEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000416338509 532871041 /nfs/dbraw/zinc/87/10/41/532871041.db2.gz DNJMYJDLNDNJRO-OAHLLOKOSA-N -1 3 375.475 2.092 20 30 GEEDHM COc1cc(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)c(OC)cc1Br ZINC000291009414 532894737 /nfs/dbraw/zinc/89/47/37/532894737.db2.gz WBAQHTIZNRMKOJ-CQSZACIVSA-N -1 3 389.271 2.437 20 30 GEEDHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@]2(C#N)CC2(C)C)cc1 ZINC000291036728 532895145 /nfs/dbraw/zinc/89/51/45/532895145.db2.gz ZOANBNYAGVIMQF-INIZCTEOSA-N -1 3 385.511 2.199 20 30 GEEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000736310081 598867155 /nfs/dbraw/zinc/86/71/55/598867155.db2.gz ULPKIDAFPSMJAB-OAHLLOKOSA-N -1 3 392.419 2.243 20 30 GEEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000736310081 598867156 /nfs/dbraw/zinc/86/71/56/598867156.db2.gz ULPKIDAFPSMJAB-OAHLLOKOSA-N -1 3 392.419 2.243 20 30 GEEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736309856 598867293 /nfs/dbraw/zinc/86/72/93/598867293.db2.gz SUWTUJPEEWVTBJ-QGZVFWFLSA-N -1 3 376.420 2.407 20 30 GEEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736309856 598867294 /nfs/dbraw/zinc/86/72/94/598867294.db2.gz SUWTUJPEEWVTBJ-QGZVFWFLSA-N -1 3 376.420 2.407 20 30 GEEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736037087 598887128 /nfs/dbraw/zinc/88/71/28/598887128.db2.gz DCTVWBZAAAJGLS-ZDUSSCGKSA-N -1 3 379.376 2.128 20 30 GEEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736037087 598887129 /nfs/dbraw/zinc/88/71/29/598887129.db2.gz DCTVWBZAAAJGLS-ZDUSSCGKSA-N -1 3 379.376 2.128 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1cccc(CC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899462 598898337 /nfs/dbraw/zinc/89/83/37/598898337.db2.gz MUGKFYOXFWPMQG-INIZCTEOSA-N -1 3 377.360 2.004 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1cccc(CC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899462 598898339 /nfs/dbraw/zinc/89/83/39/598898339.db2.gz MUGKFYOXFWPMQG-INIZCTEOSA-N -1 3 377.360 2.004 20 30 GEEDHM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735913096 598913017 /nfs/dbraw/zinc/91/30/17/598913017.db2.gz FYLYOEFFINHFCU-UHFFFAOYSA-N -1 3 396.432 2.173 20 30 GEEDHM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735913096 598913019 /nfs/dbraw/zinc/91/30/19/598913019.db2.gz FYLYOEFFINHFCU-UHFFFAOYSA-N -1 3 396.432 2.173 20 30 GEEDHM N#Cc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1-c1nnn[n-]1 ZINC000737716903 598914623 /nfs/dbraw/zinc/91/46/23/598914623.db2.gz WNJILEAXCYVLDO-ZDUSSCGKSA-N -1 3 387.403 2.268 20 30 GEEDHM N#Cc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1-c1nn[n-]n1 ZINC000737716903 598914624 /nfs/dbraw/zinc/91/46/24/598914624.db2.gz WNJILEAXCYVLDO-ZDUSSCGKSA-N -1 3 387.403 2.268 20 30 GEEDHM FC(F)Oc1cc2c(cc1C=NNCc1ccc(-c3nnn[n-]3)cc1)OCO2 ZINC000822732080 607252775 /nfs/dbraw/zinc/25/27/75/607252775.db2.gz IAMPGQJOYBTASI-UHFFFAOYSA-N -1 3 388.334 2.321 20 30 GEEDHM FC(F)Oc1cc2c(cc1C=NNCc1ccc(-c3nn[n-]n3)cc1)OCO2 ZINC000822732080 607252776 /nfs/dbraw/zinc/25/27/76/607252776.db2.gz IAMPGQJOYBTASI-UHFFFAOYSA-N -1 3 388.334 2.321 20 30 GEEDHM N#Cc1cc(NC(=O)CCc2nc(-c3cccs3)no2)ccc1-c1nnn[n-]1 ZINC000737708296 598916921 /nfs/dbraw/zinc/91/69/21/598916921.db2.gz DWPJGVDGUHCJOZ-UHFFFAOYSA-N -1 3 392.404 2.421 20 30 GEEDHM N#Cc1cc(NC(=O)CCc2nc(-c3cccs3)no2)ccc1-c1nn[n-]n1 ZINC000737708296 598916922 /nfs/dbraw/zinc/91/69/22/598916922.db2.gz DWPJGVDGUHCJOZ-UHFFFAOYSA-N -1 3 392.404 2.421 20 30 GEEDHM N#Cc1cc(NC(=O)c2cccnc2OCC(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737708797 598917090 /nfs/dbraw/zinc/91/70/90/598917090.db2.gz IVGLDOTULVQICS-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM N#Cc1cc(NC(=O)c2cccnc2OCC(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737708797 598917091 /nfs/dbraw/zinc/91/70/91/598917091.db2.gz IVGLDOTULVQICS-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM Cc1ccc(C)n1-c1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1C ZINC000737328131 598920075 /nfs/dbraw/zinc/92/00/75/598920075.db2.gz CMXIMWPMGFBZSN-UHFFFAOYSA-N -1 3 387.407 2.132 20 30 GEEDHM Cc1ccc(C)n1-c1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1C ZINC000737328131 598920077 /nfs/dbraw/zinc/92/00/77/598920077.db2.gz CMXIMWPMGFBZSN-UHFFFAOYSA-N -1 3 387.407 2.132 20 30 GEEDHM N#Cc1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1-c1nnn[n-]1 ZINC000737715692 598921973 /nfs/dbraw/zinc/92/19/73/598921973.db2.gz DUIFPVTXEKBBQF-UHFFFAOYSA-N -1 3 388.416 2.438 20 30 GEEDHM N#Cc1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1-c1nn[n-]n1 ZINC000737715692 598921975 /nfs/dbraw/zinc/92/19/75/598921975.db2.gz DUIFPVTXEKBBQF-UHFFFAOYSA-N -1 3 388.416 2.438 20 30 GEEDHM CC(=O)N(CCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)Cc1ccccc1 ZINC000735460776 598927509 /nfs/dbraw/zinc/92/75/09/598927509.db2.gz LUKSOISQTNKMDD-UHFFFAOYSA-N -1 3 389.419 2.116 20 30 GEEDHM CC(=O)N(CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)Cc1ccccc1 ZINC000735460776 598927510 /nfs/dbraw/zinc/92/75/10/598927510.db2.gz LUKSOISQTNKMDD-UHFFFAOYSA-N -1 3 389.419 2.116 20 30 GEEDHM N#Cc1ccc(CN2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cc1 ZINC000737713518 598956661 /nfs/dbraw/zinc/95/66/61/598956661.db2.gz YHYZILRVFMCMEH-UHFFFAOYSA-N -1 3 397.446 2.004 20 30 GEEDHM N#Cc1ccc(CN2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)cc1 ZINC000737713518 598956663 /nfs/dbraw/zinc/95/66/63/598956663.db2.gz YHYZILRVFMCMEH-UHFFFAOYSA-N -1 3 397.446 2.004 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000737024940 598970731 /nfs/dbraw/zinc/97/07/31/598970731.db2.gz VRPIVGFXFKPCKR-LJQANCHMSA-N -1 3 384.440 2.233 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000737024940 598970733 /nfs/dbraw/zinc/97/07/33/598970733.db2.gz VRPIVGFXFKPCKR-LJQANCHMSA-N -1 3 384.440 2.233 20 30 GEEDHM CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736627613 598995557 /nfs/dbraw/zinc/99/55/57/598995557.db2.gz NSUPLIDABLLOSJ-UHFFFAOYSA-N -1 3 385.405 2.213 20 30 GEEDHM CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736627613 598995559 /nfs/dbraw/zinc/99/55/59/598995559.db2.gz NSUPLIDABLLOSJ-UHFFFAOYSA-N -1 3 385.405 2.213 20 30 GEEDHM CCn1c(=O)c2ccccc2nc1NN=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736714989 599125405 /nfs/dbraw/zinc/12/54/05/599125405.db2.gz YZJFHKZSTAMALS-UHFFFAOYSA-N -1 3 390.407 2.051 20 30 GEEDHM CCn1c(=O)c2ccccc2nc1NN=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736714989 599125407 /nfs/dbraw/zinc/12/54/07/599125407.db2.gz YZJFHKZSTAMALS-UHFFFAOYSA-N -1 3 390.407 2.051 20 30 GEEDHM COc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737083270 599126706 /nfs/dbraw/zinc/12/67/06/599126706.db2.gz NSAURGWZDJDMPV-UHFFFAOYSA-N -1 3 384.312 2.138 20 30 GEEDHM COc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737083270 599126709 /nfs/dbraw/zinc/12/67/09/599126709.db2.gz NSAURGWZDJDMPV-UHFFFAOYSA-N -1 3 384.312 2.138 20 30 GEEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)NC(=O)CO3)cc1-c1nnn[n-]1 ZINC000737080486 599153217 /nfs/dbraw/zinc/15/32/17/599153217.db2.gz BOUSWWJQATWZFO-DJWKRKHSSA-N -1 3 377.360 2.102 20 30 GEEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)NC(=O)CO3)cc1-c1nn[n-]n1 ZINC000737080486 599153219 /nfs/dbraw/zinc/15/32/19/599153219.db2.gz BOUSWWJQATWZFO-DJWKRKHSSA-N -1 3 377.360 2.102 20 30 GEEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822541006 599161883 /nfs/dbraw/zinc/16/18/83/599161883.db2.gz KJFACEXCPUJRDA-UHFFFAOYSA-N -1 3 391.366 2.500 20 30 GEEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822541006 599161886 /nfs/dbraw/zinc/16/18/86/599161886.db2.gz KJFACEXCPUJRDA-UHFFFAOYSA-N -1 3 391.366 2.500 20 30 GEEDHM N#Cc1ccc(NC(=O)CCN2C(=O)CCc3ccccc32)cc1-c1nnn[n-]1 ZINC000737715658 599193003 /nfs/dbraw/zinc/19/30/03/599193003.db2.gz DECURZUEXOYWSO-UHFFFAOYSA-N -1 3 387.403 2.046 20 30 GEEDHM N#Cc1ccc(NC(=O)CCN2C(=O)CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000737715658 599193006 /nfs/dbraw/zinc/19/30/06/599193006.db2.gz DECURZUEXOYWSO-UHFFFAOYSA-N -1 3 387.403 2.046 20 30 GEEDHM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735634187 599193178 /nfs/dbraw/zinc/19/31/78/599193178.db2.gz VRWIDGOZWVZCLR-GJZGRUSLSA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735634187 599193180 /nfs/dbraw/zinc/19/31/80/599193180.db2.gz VRWIDGOZWVZCLR-GJZGRUSLSA-N -1 3 397.439 2.370 20 30 GEEDHM C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735402701 599193188 /nfs/dbraw/zinc/19/31/88/599193188.db2.gz HGHOPGIGSQCTME-UHFFFAOYSA-N -1 3 385.387 2.194 20 30 GEEDHM C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735402701 599193189 /nfs/dbraw/zinc/19/31/89/599193189.db2.gz HGHOPGIGSQCTME-UHFFFAOYSA-N -1 3 385.387 2.194 20 30 GEEDHM C#CCN(CC#CC)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735374653 599227200 /nfs/dbraw/zinc/22/72/00/599227200.db2.gz LBYUDJGXAJDEEU-UHFFFAOYSA-N -1 3 375.388 2.137 20 30 GEEDHM C#CCN(CC#CC)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735374653 599227202 /nfs/dbraw/zinc/22/72/02/599227202.db2.gz LBYUDJGXAJDEEU-UHFFFAOYSA-N -1 3 375.388 2.137 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819746113 607273488 /nfs/dbraw/zinc/27/34/88/607273488.db2.gz ZZUIZMNCMRCGIL-UHFFFAOYSA-N -1 3 382.449 2.390 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819746113 607273489 /nfs/dbraw/zinc/27/34/89/607273489.db2.gz ZZUIZMNCMRCGIL-UHFFFAOYSA-N -1 3 382.449 2.390 20 30 GEEDHM Cc1cccc2c1ncc(C#N)c2N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737408166 599265726 /nfs/dbraw/zinc/26/57/26/599265726.db2.gz GRELKXGJWHSXIJ-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM Cc1cccc2c1ncc(C#N)c2N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737408166 599265727 /nfs/dbraw/zinc/26/57/27/599265727.db2.gz GRELKXGJWHSXIJ-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM N#Cc1ccc(NCCNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)nc1 ZINC000737717736 599271163 /nfs/dbraw/zinc/27/11/63/599271163.db2.gz ALMKVAZEHKVYIY-UHFFFAOYSA-N -1 3 391.826 2.281 20 30 GEEDHM N#Cc1ccc(NCCNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)nc1 ZINC000737717736 599271166 /nfs/dbraw/zinc/27/11/66/599271166.db2.gz ALMKVAZEHKVYIY-UHFFFAOYSA-N -1 3 391.826 2.281 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000819701804 599282710 /nfs/dbraw/zinc/28/27/10/599282710.db2.gz NPZIWPVDKPKQDM-UHFFFAOYSA-N -1 3 384.346 2.479 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000819701804 599282712 /nfs/dbraw/zinc/28/27/12/599282712.db2.gz NPZIWPVDKPKQDM-UHFFFAOYSA-N -1 3 384.346 2.479 20 30 GEEDHM N#Cc1c(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)cn2ccccc12 ZINC000737706714 598253847 /nfs/dbraw/zinc/25/38/47/598253847.db2.gz YIVBTKMJHSBMNQ-UHFFFAOYSA-N -1 3 384.447 2.313 20 30 GEEDHM N#Cc1c(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)cn2ccccc12 ZINC000737706714 598253848 /nfs/dbraw/zinc/25/38/48/598253848.db2.gz YIVBTKMJHSBMNQ-UHFFFAOYSA-N -1 3 384.447 2.313 20 30 GEEDHM Cc1ccc(NC(=O)[C@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1F ZINC000737355849 598274203 /nfs/dbraw/zinc/27/42/03/598274203.db2.gz LPRLAZCKGZXZIE-VIFPVBQESA-N -1 3 398.427 2.282 20 30 GEEDHM Cc1ccc(NC(=O)[C@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1F ZINC000737355849 598274205 /nfs/dbraw/zinc/27/42/05/598274205.db2.gz LPRLAZCKGZXZIE-VIFPVBQESA-N -1 3 398.427 2.282 20 30 GEEDHM N#Cc1ccc(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000737712768 598300840 /nfs/dbraw/zinc/30/08/40/598300840.db2.gz TZFTUGQEEZFNOA-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM N#Cc1ccc(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737712768 598300842 /nfs/dbraw/zinc/30/08/42/598300842.db2.gz TZFTUGQEEZFNOA-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM C#CCn1cnc(-c2ccccc2)c1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735388297 598365693 /nfs/dbraw/zinc/36/56/93/598365693.db2.gz WZQKSMOLKDIQOF-UHFFFAOYSA-N -1 3 399.414 2.381 20 30 GEEDHM C#CCn1cnc(-c2ccccc2)c1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735388297 598365695 /nfs/dbraw/zinc/36/56/95/598365695.db2.gz WZQKSMOLKDIQOF-UHFFFAOYSA-N -1 3 399.414 2.381 20 30 GEEDHM Cc1cc(C)c(C#N)c(SC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737239378 598372491 /nfs/dbraw/zinc/37/24/91/598372491.db2.gz CRSHONRQJSAVBX-AWEZNQCLSA-N -1 3 382.449 2.282 20 30 GEEDHM N#Cc1ccc(CN2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000737711296 598386830 /nfs/dbraw/zinc/38/68/30/598386830.db2.gz INFBJWCALRJZTI-UHFFFAOYSA-N -1 3 380.843 2.109 20 30 GEEDHM N#Cc1ccc(CN2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000737711296 598386831 /nfs/dbraw/zinc/38/68/31/598386831.db2.gz INFBJWCALRJZTI-UHFFFAOYSA-N -1 3 380.843 2.109 20 30 GEEDHM N#CCN1CCC(Nc2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000737696646 598426419 /nfs/dbraw/zinc/42/64/19/598426419.db2.gz SUPUAMJJWSHCJB-UHFFFAOYSA-N -1 3 386.822 2.029 20 30 GEEDHM N#CCN1CCC(Nc2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000737696646 598426420 /nfs/dbraw/zinc/42/64/20/598426420.db2.gz SUPUAMJJWSHCJB-UHFFFAOYSA-N -1 3 386.822 2.029 20 30 GEEDHM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)s2)cc1 ZINC000737718230 598441153 /nfs/dbraw/zinc/44/11/53/598441153.db2.gz MPPBWKQRIYFMSK-UHFFFAOYSA-N -1 3 388.416 2.433 20 30 GEEDHM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)s2)cc1 ZINC000737718230 598441155 /nfs/dbraw/zinc/44/11/55/598441155.db2.gz MPPBWKQRIYFMSK-UHFFFAOYSA-N -1 3 388.416 2.433 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COc1ccccc1C=O ZINC000735421423 598443424 /nfs/dbraw/zinc/44/34/24/598443424.db2.gz ZEDODOFXCJTBHK-UHFFFAOYSA-N -1 3 377.404 2.273 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COc1ccccc1C=O ZINC000735421423 598443426 /nfs/dbraw/zinc/44/34/26/598443426.db2.gz ZEDODOFXCJTBHK-UHFFFAOYSA-N -1 3 377.404 2.273 20 30 GEEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735419506 598447894 /nfs/dbraw/zinc/44/78/94/598447894.db2.gz UAADQRJCILXOOU-UHFFFAOYSA-N -1 3 389.419 2.328 20 30 GEEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735419506 598447896 /nfs/dbraw/zinc/44/78/96/598447896.db2.gz UAADQRJCILXOOU-UHFFFAOYSA-N -1 3 389.419 2.328 20 30 GEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(NC2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC000737246357 598458655 /nfs/dbraw/zinc/45/86/55/598458655.db2.gz SUJLINFOADQCOT-UHFFFAOYSA-N -1 3 375.440 2.226 20 30 GEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(NC2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC000737246357 598458656 /nfs/dbraw/zinc/45/86/56/598458656.db2.gz SUJLINFOADQCOT-UHFFFAOYSA-N -1 3 375.440 2.226 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735426854 598481873 /nfs/dbraw/zinc/48/18/73/598481873.db2.gz YTUCWFNBGOZSGO-LBPRGKRZSA-N -1 3 398.448 2.083 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735426854 598481875 /nfs/dbraw/zinc/48/18/75/598481875.db2.gz YTUCWFNBGOZSGO-LBPRGKRZSA-N -1 3 398.448 2.083 20 30 GEEDHM N#Cc1cccc(OC2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000737730075 598502723 /nfs/dbraw/zinc/50/27/23/598502723.db2.gz FEFIQIKHXVSMJC-UHFFFAOYSA-N -1 3 392.379 2.089 20 30 GEEDHM N#Cc1cccc(OC2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1 ZINC000737730075 598502725 /nfs/dbraw/zinc/50/27/25/598502725.db2.gz FEFIQIKHXVSMJC-UHFFFAOYSA-N -1 3 392.379 2.089 20 30 GEEDHM N#C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000737678512 598565817 /nfs/dbraw/zinc/56/58/17/598565817.db2.gz JLTMXHBCTBQQSU-KRWDZBQOSA-N -1 3 391.391 2.415 20 30 GEEDHM N#C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000737678512 598565820 /nfs/dbraw/zinc/56/58/20/598565820.db2.gz JLTMXHBCTBQQSU-KRWDZBQOSA-N -1 3 391.391 2.415 20 30 GEEDHM CN(C)C(=S)NN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736753138 598585146 /nfs/dbraw/zinc/58/51/46/598585146.db2.gz GMVNGUQHRXDBES-UHFFFAOYSA-N -1 3 381.465 2.216 20 30 GEEDHM CN(C)C(=S)NN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736753138 598585148 /nfs/dbraw/zinc/58/51/48/598585148.db2.gz GMVNGUQHRXDBES-UHFFFAOYSA-N -1 3 381.465 2.216 20 30 GEEDHM CCOc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000736626787 598687323 /nfs/dbraw/zinc/68/73/23/598687323.db2.gz LOFYONMESPURPE-UHFFFAOYSA-N -1 3 389.368 2.044 20 30 GEEDHM CCOc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000736626787 598687324 /nfs/dbraw/zinc/68/73/24/598687324.db2.gz LOFYONMESPURPE-UHFFFAOYSA-N -1 3 389.368 2.044 20 30 GEEDHM C=CCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735436464 598710313 /nfs/dbraw/zinc/71/03/13/598710313.db2.gz KPVXCAYRJQTYES-UHFFFAOYSA-N -1 3 389.412 2.049 20 30 GEEDHM N#CCOc1ccc(CC(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC000737696234 598725126 /nfs/dbraw/zinc/72/51/26/598725126.db2.gz PKXHNBAGOKOVHD-UHFFFAOYSA-N -1 3 388.387 2.308 20 30 GEEDHM N#CCOc1ccc(CC(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC000737696234 598725129 /nfs/dbraw/zinc/72/51/29/598725129.db2.gz PKXHNBAGOKOVHD-UHFFFAOYSA-N -1 3 388.387 2.308 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000735420687 598730174 /nfs/dbraw/zinc/73/01/74/598730174.db2.gz PWUJQAVSVLOVCR-UHFFFAOYSA-N -1 3 391.435 2.494 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000735420687 598730175 /nfs/dbraw/zinc/73/01/75/598730175.db2.gz PWUJQAVSVLOVCR-UHFFFAOYSA-N -1 3 391.435 2.494 20 30 GEEDHM C[C@H](C#N)CN(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000735505850 598760158 /nfs/dbraw/zinc/76/01/58/598760158.db2.gz ULJMMSYRKKQRCJ-VXGBXAGGSA-N -1 3 387.513 2.473 20 30 GEEDHM C[C@H](C#N)CN(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000735505850 598760159 /nfs/dbraw/zinc/76/01/59/598760159.db2.gz ULJMMSYRKKQRCJ-VXGBXAGGSA-N -1 3 387.513 2.473 20 30 GEEDHM Cc1nnc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c(C#N)c1C ZINC000737521954 598798174 /nfs/dbraw/zinc/79/81/74/598798174.db2.gz OSLKPXYGNNHBCL-UHFFFAOYSA-N -1 3 376.424 2.193 20 30 GEEDHM Cc1nnc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c(C#N)c1C ZINC000737521954 598798175 /nfs/dbraw/zinc/79/81/75/598798175.db2.gz OSLKPXYGNNHBCL-UHFFFAOYSA-N -1 3 376.424 2.193 20 30 GEEDHM CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821613308 599335538 /nfs/dbraw/zinc/33/55/38/599335538.db2.gz HSFVLARIXWHVQV-UHFFFAOYSA-N -1 3 388.840 2.212 20 30 GEEDHM O=C(C=NOCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Nc1ccccc1 ZINC000822935721 599382908 /nfs/dbraw/zinc/38/29/08/599382908.db2.gz MSAJJFPWDUCJIY-UHFFFAOYSA-N -1 3 390.363 2.058 20 30 GEEDHM O=C(C=NOCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Nc1ccccc1 ZINC000822935721 599382911 /nfs/dbraw/zinc/38/29/11/599382911.db2.gz MSAJJFPWDUCJIY-UHFFFAOYSA-N -1 3 390.363 2.058 20 30 GEEDHM NC(=NOCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(Cl)cc1 ZINC000822850276 599383424 /nfs/dbraw/zinc/38/34/24/599383424.db2.gz DCPLLGHVJXNLNR-UHFFFAOYSA-N -1 3 396.798 2.407 20 30 GEEDHM NC(=NOCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(Cl)cc1 ZINC000822850276 599383427 /nfs/dbraw/zinc/38/34/27/599383427.db2.gz DCPLLGHVJXNLNR-UHFFFAOYSA-N -1 3 396.798 2.407 20 30 GEEDHM C[C@H](COC(=O)c1ccc(C#N)cc1)COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736037820 599496372 /nfs/dbraw/zinc/49/63/72/599496372.db2.gz OPLYHJNIXMTIEW-CYBMUJFWSA-N -1 3 391.387 2.388 20 30 GEEDHM C[C@H](COC(=O)c1ccc(C#N)cc1)COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736037820 599496375 /nfs/dbraw/zinc/49/63/75/599496375.db2.gz OPLYHJNIXMTIEW-CYBMUJFWSA-N -1 3 391.387 2.388 20 30 GEEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819976241 599552086 /nfs/dbraw/zinc/55/20/86/599552086.db2.gz RPAHICVREZSZSG-UHFFFAOYSA-N -1 3 394.439 2.495 20 30 GEEDHM C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819759265 599617115 /nfs/dbraw/zinc/61/71/15/599617115.db2.gz RGCPXPJGMBJANE-CYBMUJFWSA-N -1 3 392.419 2.247 20 30 GEEDHM C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819759265 599617117 /nfs/dbraw/zinc/61/71/17/599617117.db2.gz RGCPXPJGMBJANE-CYBMUJFWSA-N -1 3 392.419 2.247 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000826251621 607386694 /nfs/dbraw/zinc/38/66/94/607386694.db2.gz VWPMPOIYLHSJRT-GFCCVEGCSA-N -1 3 376.376 2.231 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000826251621 607386696 /nfs/dbraw/zinc/38/66/96/607386696.db2.gz VWPMPOIYLHSJRT-GFCCVEGCSA-N -1 3 376.376 2.231 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1cccc(F)c1C ZINC000819743916 599693323 /nfs/dbraw/zinc/69/33/23/599693323.db2.gz SOUFUTOJSLZYPS-UHFFFAOYSA-N -1 3 394.410 2.468 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1cccc(F)c1C ZINC000819743916 599693324 /nfs/dbraw/zinc/69/33/24/599693324.db2.gz SOUFUTOJSLZYPS-UHFFFAOYSA-N -1 3 394.410 2.468 20 30 GEEDHM COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826216892 607399467 /nfs/dbraw/zinc/39/94/67/607399467.db2.gz RANXIOKFTGVXSY-MRXNPFEDSA-N -1 3 376.376 2.145 20 30 GEEDHM CC(C)Oc1ccc(NC(=O)C#Cc2ccc3c(c2)OCO3)cc1-c1nnn[n-]1 ZINC000820155592 607406102 /nfs/dbraw/zinc/40/61/02/607406102.db2.gz SHYKXPHLBPOQIC-UHFFFAOYSA-N -1 3 391.387 2.373 20 30 GEEDHM CC(C)Oc1ccc(NC(=O)C#Cc2ccc3c(c2)OCO3)cc1-c1nn[n-]n1 ZINC000820155592 607406104 /nfs/dbraw/zinc/40/61/04/607406104.db2.gz SHYKXPHLBPOQIC-UHFFFAOYSA-N -1 3 391.387 2.373 20 30 GEEDHM C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CC1 ZINC000736095092 599981978 /nfs/dbraw/zinc/98/19/78/599981978.db2.gz IMJSJPUCZAOHER-UHFFFAOYSA-N -1 3 375.425 2.333 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000826183760 607524673 /nfs/dbraw/zinc/52/46/73/607524673.db2.gz ZGVJEFLRAKGALK-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM N#Cc1c(F)cccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826383584 607580794 /nfs/dbraw/zinc/58/07/94/607580794.db2.gz HQHRWHZYFXFCIM-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1c(F)cccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826383584 607580795 /nfs/dbraw/zinc/58/07/95/607580795.db2.gz HQHRWHZYFXFCIM-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM COc1ccc(COC(=O)c2ccc(NC(=O)CC#N)cc2)cc1-c1nnn[n-]1 ZINC000826206225 607596181 /nfs/dbraw/zinc/59/61/81/607596181.db2.gz JIGLVYBHRPUUAT-UHFFFAOYSA-N -1 3 392.375 2.084 20 30 GEEDHM COc1ccc(COC(=O)c2ccc(NC(=O)CC#N)cc2)cc1-c1nn[n-]n1 ZINC000826206225 607596183 /nfs/dbraw/zinc/59/61/83/607596183.db2.gz JIGLVYBHRPUUAT-UHFFFAOYSA-N -1 3 392.375 2.084 20 30 GEEDHM CC(C)[C@](C)(CNC(=O)[O-])NCc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000738770701 603136712 /nfs/dbraw/zinc/13/67/12/603136712.db2.gz JBRGRODWXGCPLO-VLIAUNLRSA-N -1 3 381.436 2.496 20 30 GEEDHM C=CCOc1ccccc1CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000823932314 607612693 /nfs/dbraw/zinc/61/26/93/607612693.db2.gz ULAKHWGILDZIGK-UHFFFAOYSA-N -1 3 389.412 2.049 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000826245147 607651231 /nfs/dbraw/zinc/65/12/31/607651231.db2.gz OVUZDFFDPVWLHK-LJQANCHMSA-N -1 3 387.447 2.198 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000826245147 607651233 /nfs/dbraw/zinc/65/12/33/607651233.db2.gz OVUZDFFDPVWLHK-LJQANCHMSA-N -1 3 387.447 2.198 20 30 GEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826383615 607651843 /nfs/dbraw/zinc/65/18/43/607651843.db2.gz IUMZVLHCSFDMJF-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM COc1cc(NC(C)=O)ccc1C(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826180769 607654547 /nfs/dbraw/zinc/65/45/47/607654547.db2.gz WLLYAQXMLRZGDA-UHFFFAOYSA-N -1 3 379.424 2.348 20 30 GEEDHM COc1cc(NC(C)=O)ccc1C(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826180769 607654549 /nfs/dbraw/zinc/65/45/49/607654549.db2.gz WLLYAQXMLRZGDA-UHFFFAOYSA-N -1 3 379.424 2.348 20 30 GEEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826159252 607661552 /nfs/dbraw/zinc/66/15/52/607661552.db2.gz YUYYRZOUPBJDER-UHFFFAOYSA-N -1 3 376.420 2.336 20 30 GEEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826159252 607661553 /nfs/dbraw/zinc/66/15/53/607661553.db2.gz YUYYRZOUPBJDER-UHFFFAOYSA-N -1 3 376.420 2.336 20 30 GEEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1Cl ZINC000829443118 604221999 /nfs/dbraw/zinc/22/19/99/604221999.db2.gz YRGXLBACEHDHPU-JBLDHEPKSA-N -1 3 379.800 2.432 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1CCN(c2ccccc2C#N)CC1 ZINC000826247820 607696586 /nfs/dbraw/zinc/69/65/86/607696586.db2.gz OVMTUCWTQATIPI-UHFFFAOYSA-N -1 3 387.447 2.446 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1CCN(c2ccccc2C#N)CC1 ZINC000826247820 607696587 /nfs/dbraw/zinc/69/65/87/607696587.db2.gz OVMTUCWTQATIPI-UHFFFAOYSA-N -1 3 387.447 2.446 20 30 GEEDHM Clc1ccc(C#CCN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cc1 ZINC000822573911 606108800 /nfs/dbraw/zinc/10/88/00/606108800.db2.gz KUMGHHQCWOMYJQ-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM Clc1ccc(C#CCN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cc1 ZINC000822573911 606108803 /nfs/dbraw/zinc/10/88/03/606108803.db2.gz KUMGHHQCWOMYJQ-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM Clc1ccc(C#CCN2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000822573778 606109268 /nfs/dbraw/zinc/10/92/68/606109268.db2.gz IHQWGLOQIYZTFU-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM Clc1ccc(C#CCN2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000822573778 606109270 /nfs/dbraw/zinc/10/92/70/606109270.db2.gz IHQWGLOQIYZTFU-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM N#Cc1ccc(-c2nnc(COC(=O)Cc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822823053 606141562 /nfs/dbraw/zinc/14/15/62/606141562.db2.gz JQVASAZQQWCIGI-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM N#Cc1ccc(-c2nnc(COC(=O)Cc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822823053 606141564 /nfs/dbraw/zinc/14/15/64/606141564.db2.gz JQVASAZQQWCIGI-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM COc1ccccc1N=C1SCCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821899376 606208950 /nfs/dbraw/zinc/20/89/50/606208950.db2.gz YAFMQCBYOSIVSX-UHFFFAOYSA-N -1 3 383.437 2.091 20 30 GEEDHM COc1ccccc1N=C1SCCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821899376 606208952 /nfs/dbraw/zinc/20/89/52/606208952.db2.gz YAFMQCBYOSIVSX-UHFFFAOYSA-N -1 3 383.437 2.091 20 30 GEEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822801193 606301220 /nfs/dbraw/zinc/30/12/20/606301220.db2.gz GJYVERXEJQTWTP-XJKSGUPXSA-N -1 3 375.392 2.476 20 30 GEEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822801193 606301222 /nfs/dbraw/zinc/30/12/22/606301222.db2.gz GJYVERXEJQTWTP-XJKSGUPXSA-N -1 3 375.392 2.476 20 30 GEEDHM Cc1nc(C)c(C#N)c(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)n1 ZINC000822427383 606311467 /nfs/dbraw/zinc/31/14/67/606311467.db2.gz LQEGTIRPLYIGQA-GFCCVEGCSA-N -1 3 398.477 2.104 20 30 GEEDHM Cc1nc(C)c(C#N)c(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)n1 ZINC000822427383 606311468 /nfs/dbraw/zinc/31/14/68/606311468.db2.gz LQEGTIRPLYIGQA-GFCCVEGCSA-N -1 3 398.477 2.104 20 30 GEEDHM N#Cc1ccc(SCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000822833157 606330528 /nfs/dbraw/zinc/33/05/28/606330528.db2.gz MBDWUIIFNHPWAB-UHFFFAOYSA-N -1 3 389.437 2.443 20 30 GEEDHM N#Cc1ccc(SCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822833157 606330529 /nfs/dbraw/zinc/33/05/29/606330529.db2.gz MBDWUIIFNHPWAB-UHFFFAOYSA-N -1 3 389.437 2.443 20 30 GEEDHM CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821169805 606341115 /nfs/dbraw/zinc/34/11/15/606341115.db2.gz DXBAYNRWBVMQBZ-SECBINFHSA-N -1 3 388.375 2.056 20 30 GEEDHM CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821169805 606341116 /nfs/dbraw/zinc/34/11/16/606341116.db2.gz DXBAYNRWBVMQBZ-SECBINFHSA-N -1 3 388.375 2.056 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000821647283 606368417 /nfs/dbraw/zinc/36/84/17/606368417.db2.gz XCUZABINWNYOOR-BBVFFXRHSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000821647283 606368418 /nfs/dbraw/zinc/36/84/18/606368418.db2.gz XCUZABINWNYOOR-BBVFFXRHSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1cccc(CC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648128 606372076 /nfs/dbraw/zinc/37/20/76/606372076.db2.gz BLERRPVRPYRCMT-MRXNPFEDSA-N -1 3 377.360 2.004 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1cccc(CC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648128 606372077 /nfs/dbraw/zinc/37/20/77/606372077.db2.gz BLERRPVRPYRCMT-MRXNPFEDSA-N -1 3 377.360 2.004 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000822801424 606432987 /nfs/dbraw/zinc/43/29/87/606432987.db2.gz JDQODISHRJMVKG-SJORKVTESA-N -1 3 394.460 2.327 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000822801424 606432989 /nfs/dbraw/zinc/43/29/89/606432989.db2.gz JDQODISHRJMVKG-SJORKVTESA-N -1 3 394.460 2.327 20 30 GEEDHM CC(C)[C@@H](C#N)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000820010948 606489938 /nfs/dbraw/zinc/48/99/38/606489938.db2.gz DZABAUMIVIRCML-OAHLLOKOSA-N -1 3 391.426 2.134 20 30 GEEDHM CC(C)[C@@H](C#N)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000820010948 606489939 /nfs/dbraw/zinc/48/99/39/606489939.db2.gz DZABAUMIVIRCML-OAHLLOKOSA-N -1 3 391.426 2.134 20 30 GEEDHM N#Cc1csc(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1 ZINC000822846104 606585365 /nfs/dbraw/zinc/58/53/65/606585365.db2.gz PACAMGQAUANLIH-UHFFFAOYSA-N -1 3 395.448 2.013 20 30 GEEDHM N#Cc1csc(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1 ZINC000822846104 606585366 /nfs/dbraw/zinc/58/53/66/606585366.db2.gz PACAMGQAUANLIH-UHFFFAOYSA-N -1 3 395.448 2.013 20 30 GEEDHM C=CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccncc1 ZINC000819734907 606611118 /nfs/dbraw/zinc/61/11/18/606611118.db2.gz XMIKHPHWXISDPY-HNNXBMFYSA-N -1 3 397.826 2.287 20 30 GEEDHM C=CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccncc1 ZINC000819734907 606611119 /nfs/dbraw/zinc/61/11/19/606611119.db2.gz XMIKHPHWXISDPY-HNNXBMFYSA-N -1 3 397.826 2.287 20 30 GEEDHM N#CCOc1cc(F)ccc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822810434 606708976 /nfs/dbraw/zinc/70/89/76/606708976.db2.gz IJUXBBWVQOEBSH-CYBMUJFWSA-N -1 3 399.411 2.187 20 30 GEEDHM N#CCOc1cc(F)ccc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822810434 606708977 /nfs/dbraw/zinc/70/89/77/606708977.db2.gz IJUXBBWVQOEBSH-CYBMUJFWSA-N -1 3 399.411 2.187 20 30 GEEDHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc(C#N)c1 ZINC000820499894 606756113 /nfs/dbraw/zinc/75/61/13/606756113.db2.gz ADSMEBRLDWDJKV-VIFPVBQESA-N -1 3 398.329 2.201 20 30 GEEDHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc(C#N)c1 ZINC000820499894 606756114 /nfs/dbraw/zinc/75/61/14/606756114.db2.gz ADSMEBRLDWDJKV-VIFPVBQESA-N -1 3 398.329 2.201 20 30 GEEDHM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000822825438 606793330 /nfs/dbraw/zinc/79/33/30/606793330.db2.gz FWTMZPKQIYDIOD-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000822825438 606793332 /nfs/dbraw/zinc/79/33/32/606793332.db2.gz FWTMZPKQIYDIOD-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819730224 606836958 /nfs/dbraw/zinc/83/69/58/606836958.db2.gz SWVZLNAFQZKVRV-GFCCVEGCSA-N -1 3 378.392 2.288 20 30 GEEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819730224 606836960 /nfs/dbraw/zinc/83/69/60/606836960.db2.gz SWVZLNAFQZKVRV-GFCCVEGCSA-N -1 3 378.392 2.288 20 30 GEEDHM N#Cc1ccc(OCC(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822833580 606942434 /nfs/dbraw/zinc/94/24/34/606942434.db2.gz SDSWDBFEIPMEQM-UHFFFAOYSA-N -1 3 379.376 2.129 20 30 GEEDHM N#Cc1ccc(OCC(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822833580 606942436 /nfs/dbraw/zinc/94/24/36/606942436.db2.gz SDSWDBFEIPMEQM-UHFFFAOYSA-N -1 3 379.376 2.129 20 30 GEEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(CC#N)ccn1 ZINC000820032671 606944801 /nfs/dbraw/zinc/94/48/01/606944801.db2.gz PLPDOXYOYNEKDZ-QGZVFWFLSA-N -1 3 377.408 2.370 20 30 GEEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(CC#N)ccn1 ZINC000820032671 606944802 /nfs/dbraw/zinc/94/48/02/606944802.db2.gz PLPDOXYOYNEKDZ-QGZVFWFLSA-N -1 3 377.408 2.370 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000822846402 606964499 /nfs/dbraw/zinc/96/44/99/606964499.db2.gz ZSQCCJUQJIURDR-UHFFFAOYSA-N -1 3 394.414 2.065 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000822846402 606964500 /nfs/dbraw/zinc/96/45/00/606964500.db2.gz ZSQCCJUQJIURDR-UHFFFAOYSA-N -1 3 394.414 2.065 20 30 GEEDHM CCS[C@@H](C)c1noc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)n1 ZINC000821447325 606980541 /nfs/dbraw/zinc/98/05/41/606980541.db2.gz JAXHAVQZHIKWLE-ZETCQYMHSA-N -1 3 389.470 2.205 20 30 GEEDHM CCS[C@@H](C)c1noc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)n1 ZINC000821447325 606980543 /nfs/dbraw/zinc/98/05/43/606980543.db2.gz JAXHAVQZHIKWLE-ZETCQYMHSA-N -1 3 389.470 2.205 20 30 GEEDHM N#Cc1ccc(N2CCN(Cc3cc(F)ccc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000822830234 607063679 /nfs/dbraw/zinc/06/36/79/607063679.db2.gz YGGWIYCWIPTNTC-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1ccc(N2CCN(Cc3cc(F)ccc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000822830234 607063681 /nfs/dbraw/zinc/06/36/81/607063681.db2.gz YGGWIYCWIPTNTC-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM C[C@H](Nc1ccc(F)cc1OCC#N)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820455122 607145442 /nfs/dbraw/zinc/14/54/42/607145442.db2.gz DLYHHCKSGXDZMN-NSHDSACASA-N -1 3 381.371 2.347 20 30 GEEDHM C[C@H](Nc1ccc(F)cc1OCC#N)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820455122 607145444 /nfs/dbraw/zinc/14/54/44/607145444.db2.gz DLYHHCKSGXDZMN-NSHDSACASA-N -1 3 381.371 2.347 20 30 GEEDHM COC(=O)c1oc([C@H](C)Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1C ZINC000821671095 607159612 /nfs/dbraw/zinc/15/96/12/607159612.db2.gz HXRSNNIIQWWYGJ-QMMMGPOBSA-N -1 3 385.409 2.257 20 30 GEEDHM COC(=O)c1oc([C@H](C)Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1C ZINC000821671095 607159614 /nfs/dbraw/zinc/15/96/14/607159614.db2.gz HXRSNNIIQWWYGJ-QMMMGPOBSA-N -1 3 385.409 2.257 20 30 GEEDHM C=CCN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)Cc1cccs1 ZINC000823903656 607814222 /nfs/dbraw/zinc/81/42/22/607814222.db2.gz GNLRLRWYKQVOKP-UHFFFAOYSA-N -1 3 389.506 2.390 20 30 GEEDHM C=CCN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)Cc1cccs1 ZINC000823903656 607814223 /nfs/dbraw/zinc/81/42/23/607814223.db2.gz GNLRLRWYKQVOKP-UHFFFAOYSA-N -1 3 389.506 2.390 20 30 GEEDHM N#Cc1cccc(S(=O)(=O)CCSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826387198 607817181 /nfs/dbraw/zinc/81/71/81/607817181.db2.gz KJTRQWBUTGXWPL-UHFFFAOYSA-N -1 3 389.437 2.443 20 30 GEEDHM N#Cc1cccc(S(=O)(=O)CCSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826387198 607817182 /nfs/dbraw/zinc/81/71/82/607817182.db2.gz KJTRQWBUTGXWPL-UHFFFAOYSA-N -1 3 389.437 2.443 20 30 GEEDHM N#CCc1ccc(OC[C@H](O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000826382680 607877484 /nfs/dbraw/zinc/87/74/84/607877484.db2.gz PVQUUXNJGATMJV-AWEZNQCLSA-N -1 3 385.811 2.405 20 30 GEEDHM N#CCc1ccc(OC[C@H](O)COc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000826382680 607877485 /nfs/dbraw/zinc/87/74/85/607877485.db2.gz PVQUUXNJGATMJV-AWEZNQCLSA-N -1 3 385.811 2.405 20 30 GEEDHM N#C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC000826380339 607881288 /nfs/dbraw/zinc/88/12/88/607881288.db2.gz WCLACYKQOURIFQ-CQSZACIVSA-N -1 3 380.861 2.271 20 30 GEEDHM N#C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC000826380339 607881289 /nfs/dbraw/zinc/88/12/89/607881289.db2.gz WCLACYKQOURIFQ-CQSZACIVSA-N -1 3 380.861 2.271 20 30 GEEDHM C=C(C)[C@@H](CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)OCC ZINC000823874430 607905070 /nfs/dbraw/zinc/90/50/70/607905070.db2.gz WRXISMBLCSSKSS-GOSISDBHSA-N -1 3 384.484 2.323 20 30 GEEDHM C=C(C)[C@@H](CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)OCC ZINC000823874430 607905071 /nfs/dbraw/zinc/90/50/71/607905071.db2.gz WRXISMBLCSSKSS-GOSISDBHSA-N -1 3 384.484 2.323 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825839897 607915514 /nfs/dbraw/zinc/91/55/14/607915514.db2.gz KUBDSIDPPROBTQ-ONNFQVAWSA-N -1 3 395.394 2.369 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825839897 607915515 /nfs/dbraw/zinc/91/55/15/607915515.db2.gz KUBDSIDPPROBTQ-ONNFQVAWSA-N -1 3 395.394 2.369 20 30 GEEDHM C[C@@H](OC(=O)c1ccc(CC#N)cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824723564 607978406 /nfs/dbraw/zinc/97/84/06/607978406.db2.gz SCESINWMTQPZCQ-GFCCVEGCSA-N -1 3 376.376 2.117 20 30 GEEDHM C[C@@H](OC(=O)c1ccc(CC#N)cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824723564 607978407 /nfs/dbraw/zinc/97/84/07/607978407.db2.gz SCESINWMTQPZCQ-GFCCVEGCSA-N -1 3 376.376 2.117 20 30 GEEDHM C[C@H](OC(=O)c1ccc(CC#N)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824721726 607978421 /nfs/dbraw/zinc/97/84/21/607978421.db2.gz CXUDQYVSITXWRD-LBPRGKRZSA-N -1 3 376.376 2.117 20 30 GEEDHM C[C@H](OC(=O)c1ccc(CC#N)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824721726 607978422 /nfs/dbraw/zinc/97/84/22/607978422.db2.gz CXUDQYVSITXWRD-LBPRGKRZSA-N -1 3 376.376 2.117 20 30 GEEDHM N#CCc1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000826382097 607981259 /nfs/dbraw/zinc/98/12/59/607981259.db2.gz OHIRHAJAZULPMK-UHFFFAOYSA-N -1 3 391.410 2.034 20 30 GEEDHM COc1ccc(CSCC(=O)NCc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826207432 607983772 /nfs/dbraw/zinc/98/37/72/607983772.db2.gz NRWBFZOZNHESNA-UHFFFAOYSA-N -1 3 394.460 2.297 20 30 GEEDHM COc1ccc(CSCC(=O)NCc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826207432 607983773 /nfs/dbraw/zinc/98/37/73/607983773.db2.gz NRWBFZOZNHESNA-UHFFFAOYSA-N -1 3 394.460 2.297 20 30 GEEDHM N#CCOc1cccc(CC(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826382201 608029940 /nfs/dbraw/zinc/02/99/40/608029940.db2.gz SLRMAABGOBCDJI-UHFFFAOYSA-N -1 3 393.403 2.324 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826384179 608053580 /nfs/dbraw/zinc/05/35/80/608053580.db2.gz KFYBCODLKBABHV-KRWDZBQOSA-N -1 3 377.364 2.224 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826384179 608053581 /nfs/dbraw/zinc/05/35/81/608053581.db2.gz KFYBCODLKBABHV-KRWDZBQOSA-N -1 3 377.364 2.224 20 30 GEEDHM N#Cc1ccc(SCCOCCSc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC000826385925 608110988 /nfs/dbraw/zinc/11/09/88/608110988.db2.gz HPJKFIMLGIITLB-UHFFFAOYSA-N -1 3 385.478 2.429 20 30 GEEDHM N#Cc1ccc(SCCOCCSc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC000826385925 608110989 /nfs/dbraw/zinc/11/09/89/608110989.db2.gz HPJKFIMLGIITLB-UHFFFAOYSA-N -1 3 385.478 2.429 20 30 GEEDHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC)OCC ZINC000823873567 608136917 /nfs/dbraw/zinc/13/69/17/608136917.db2.gz NKICROKZUWVXGD-MRXNPFEDSA-N -1 3 375.429 2.202 20 30 GEEDHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC)OCC ZINC000823873567 608136918 /nfs/dbraw/zinc/13/69/18/608136918.db2.gz NKICROKZUWVXGD-MRXNPFEDSA-N -1 3 375.429 2.202 20 30 GEEDHM COC[C@@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826148087 608147067 /nfs/dbraw/zinc/14/70/67/608147067.db2.gz YFDSIYNOYCHNDE-QGZVFWFLSA-N -1 3 379.376 2.141 20 30 GEEDHM COC[C@@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826148087 608147068 /nfs/dbraw/zinc/14/70/68/608147068.db2.gz YFDSIYNOYCHNDE-QGZVFWFLSA-N -1 3 379.376 2.141 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](O)CCc1ccccc1 ZINC000823909342 608196567 /nfs/dbraw/zinc/19/65/67/608196567.db2.gz ABWQVAOLVAGFHN-IBGZPJMESA-N -1 3 377.448 2.375 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](O)CCc1ccccc1 ZINC000823909342 608196569 /nfs/dbraw/zinc/19/65/69/608196569.db2.gz ABWQVAOLVAGFHN-IBGZPJMESA-N -1 3 377.448 2.375 20 30 GEEDHM COCCn1nc(C)c(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1C ZINC000826163969 608229056 /nfs/dbraw/zinc/22/90/56/608229056.db2.gz SVEIGTSDVKMNHI-ALCCZGGFSA-N -1 3 382.424 2.231 20 30 GEEDHM COCCn1nc(C)c(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1C ZINC000826163969 608229058 /nfs/dbraw/zinc/22/90/58/608229058.db2.gz SVEIGTSDVKMNHI-ALCCZGGFSA-N -1 3 382.424 2.231 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826387662 608366337 /nfs/dbraw/zinc/36/63/37/608366337.db2.gz JKSPYJMRXNFDQG-UHFFFAOYSA-N -1 3 380.387 2.069 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826387662 608366339 /nfs/dbraw/zinc/36/63/39/608366339.db2.gz JKSPYJMRXNFDQG-UHFFFAOYSA-N -1 3 380.387 2.069 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1cccc(OCC#N)c1 ZINC000826171876 608373133 /nfs/dbraw/zinc/37/31/33/608373133.db2.gz BWIBQVWLKXQJIY-UHFFFAOYSA-N -1 3 379.376 2.064 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1cccc(OCC#N)c1 ZINC000826171876 608373135 /nfs/dbraw/zinc/37/31/35/608373135.db2.gz BWIBQVWLKXQJIY-UHFFFAOYSA-N -1 3 379.376 2.064 20 30 GEEDHM N#Cc1ccc(C2=CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384745 608446741 /nfs/dbraw/zinc/44/67/41/608446741.db2.gz HUYJXLNIFGVADQ-UHFFFAOYSA-N -1 3 392.444 2.216 20 30 GEEDHM N#Cc1ccc(C2=CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384745 608446742 /nfs/dbraw/zinc/44/67/42/608446742.db2.gz HUYJXLNIFGVADQ-UHFFFAOYSA-N -1 3 392.444 2.216 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCC(C(=O)OC)CC1 ZINC000823909726 608458825 /nfs/dbraw/zinc/45/88/25/608458825.db2.gz OPHVAYOHXNQCTM-UHFFFAOYSA-N -1 3 383.452 2.361 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCC(C(=O)OC)CC1 ZINC000823909726 608458826 /nfs/dbraw/zinc/45/88/26/608458826.db2.gz OPHVAYOHXNQCTM-UHFFFAOYSA-N -1 3 383.452 2.361 20 30 GEEDHM N#Cc1ccc([C@@H](C(N)=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384830 608460223 /nfs/dbraw/zinc/46/02/23/608460223.db2.gz LFFAKNINRNSVQN-IBGZPJMESA-N -1 3 385.431 2.054 20 30 GEEDHM N#Cc1ccc([C@@H](C(N)=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384830 608460224 /nfs/dbraw/zinc/46/02/24/608460224.db2.gz LFFAKNINRNSVQN-IBGZPJMESA-N -1 3 385.431 2.054 20 30 GEEDHM N#Cc1cccc(CNC(=O)CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826386399 608464743 /nfs/dbraw/zinc/46/47/43/608464743.db2.gz CCEXYSOPJSQYFZ-UHFFFAOYSA-N -1 3 399.458 2.144 20 30 GEEDHM Oc1ccc(C=NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c(O)c1O ZINC000826511028 608527084 /nfs/dbraw/zinc/52/70/84/608527084.db2.gz YLFJCOQZMLGRLU-AWQFTUOYSA-N -1 3 396.407 2.188 20 30 GEEDHM Oc1ccc(C=NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c(O)c1O ZINC000826511028 608527085 /nfs/dbraw/zinc/52/70/85/608527085.db2.gz YLFJCOQZMLGRLU-AWQFTUOYSA-N -1 3 396.407 2.188 20 30 GEEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc([S@@](C)=O)cc1 ZINC000823958507 608535512 /nfs/dbraw/zinc/53/55/12/608535512.db2.gz PHNJZVGIAWOLDF-RUZDIDTESA-N -1 3 375.845 2.489 20 30 GEEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc([S@@](C)=O)cc1 ZINC000823958507 608535513 /nfs/dbraw/zinc/53/55/13/608535513.db2.gz PHNJZVGIAWOLDF-RUZDIDTESA-N -1 3 375.845 2.489 20 30 GEEDHM COc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(OC)c1OC ZINC000826191211 608535858 /nfs/dbraw/zinc/53/58/58/608535858.db2.gz ZYGBKRSECYJXHH-UHFFFAOYSA-N -1 3 389.803 2.387 20 30 GEEDHM COc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(OC)c1OC ZINC000826191211 608535859 /nfs/dbraw/zinc/53/58/59/608535859.db2.gz ZYGBKRSECYJXHH-UHFFFAOYSA-N -1 3 389.803 2.387 20 30 GEEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCN(c3nccs3)CC2)n1 ZINC000826349994 608536182 /nfs/dbraw/zinc/53/61/82/608536182.db2.gz COPCGFWHCFFWQI-UHFFFAOYSA-N -1 3 375.849 2.440 20 30 GEEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCN(c3nccs3)CC2)n1 ZINC000826349994 608536183 /nfs/dbraw/zinc/53/61/83/608536183.db2.gz COPCGFWHCFFWQI-UHFFFAOYSA-N -1 3 375.849 2.440 20 30 GEEDHM C=CCN(CC=C)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823903547 608621682 /nfs/dbraw/zinc/62/16/82/608621682.db2.gz CRXSYOMPKFRGBF-UHFFFAOYSA-N -1 3 383.456 2.335 20 30 GEEDHM C=CCN(CC=C)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823903547 608621685 /nfs/dbraw/zinc/62/16/85/608621685.db2.gz CRXSYOMPKFRGBF-UHFFFAOYSA-N -1 3 383.456 2.335 20 30 GEEDHM C=CCN(Cc1cnc(N2CCOCC2)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914624 608632016 /nfs/dbraw/zinc/63/20/16/608632016.db2.gz KAXYZFGDJYPIHK-UHFFFAOYSA-N -1 3 397.508 2.348 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)n2)cc1-c1nnn[n-]1 ZINC000826385702 609188919 /nfs/dbraw/zinc/18/89/19/609188919.db2.gz XHGCLSVRABFMJO-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)n2)cc1-c1nn[n-]n1 ZINC000826385702 609188921 /nfs/dbraw/zinc/18/89/21/609188921.db2.gz XHGCLSVRABFMJO-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM CCN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000825366616 609210884 /nfs/dbraw/zinc/21/08/84/609210884.db2.gz CPXOQWMSTJKBFD-FZKQIMNGSA-N -1 3 376.420 2.381 20 30 GEEDHM CCN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000825366616 609210885 /nfs/dbraw/zinc/21/08/85/609210885.db2.gz CPXOQWMSTJKBFD-FZKQIMNGSA-N -1 3 376.420 2.381 20 30 GEEDHM C=CCNC(=O)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823919411 609265290 /nfs/dbraw/zinc/26/52/90/609265290.db2.gz FDTCQIDYSKFBDP-UHFFFAOYSA-N -1 3 394.460 2.050 20 30 GEEDHM C=CCNC(=O)CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823919411 609265291 /nfs/dbraw/zinc/26/52/91/609265291.db2.gz FDTCQIDYSKFBDP-UHFFFAOYSA-N -1 3 394.460 2.050 20 30 GEEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000823861628 609288097 /nfs/dbraw/zinc/28/80/97/609288097.db2.gz ORDKDYBFFDGDGL-UHFFFAOYSA-N -1 3 394.822 2.212 20 30 GEEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000823861628 609288099 /nfs/dbraw/zinc/28/80/99/609288099.db2.gz ORDKDYBFFDGDGL-UHFFFAOYSA-N -1 3 394.822 2.212 20 30 GEEDHM Cn1cc(C=NNCc2ccc(C#N)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359673 609306585 /nfs/dbraw/zinc/30/65/85/609306585.db2.gz NOYNGAKJTHBYTQ-UHFFFAOYSA-N -1 3 383.419 2.263 20 30 GEEDHM Cn1cc(C=NNCc2ccc(C#N)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359673 609306586 /nfs/dbraw/zinc/30/65/86/609306586.db2.gz NOYNGAKJTHBYTQ-UHFFFAOYSA-N -1 3 383.419 2.263 20 30 GEEDHM N#Cc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000826385424 609321294 /nfs/dbraw/zinc/32/12/94/609321294.db2.gz LZVWAUWWTSSGKT-UHFFFAOYSA-N -1 3 385.290 2.377 20 30 GEEDHM N#Cc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000826385424 609321296 /nfs/dbraw/zinc/32/12/96/609321296.db2.gz LZVWAUWWTSSGKT-UHFFFAOYSA-N -1 3 385.290 2.377 20 30 GEEDHM C=CCn1c(C)nnc1S[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823937329 609407787 /nfs/dbraw/zinc/40/77/87/609407787.db2.gz RZEFXMIINJLSKB-OAHLLOKOSA-N -1 3 396.480 2.240 20 30 GEEDHM C=CCn1c(C)nnc1S[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823937329 609407791 /nfs/dbraw/zinc/40/77/91/609407791.db2.gz RZEFXMIINJLSKB-OAHLLOKOSA-N -1 3 396.480 2.240 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCC(CC#N)CC1 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/nfs/dbraw/zinc/88/14/54/532881454.db2.gz DEVMPQZHFHPTGU-JTQLQIEISA-N -1 3 395.308 2.204 20 30 GEEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Br)cc1 ZINC000737674281 598826055 /nfs/dbraw/zinc/82/60/55/598826055.db2.gz IHRBVQGLIPMBCK-CYBMUJFWSA-N -1 3 384.197 2.019 20 30 GEEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Br)cc1 ZINC000737674281 598826057 /nfs/dbraw/zinc/82/60/57/598826057.db2.gz IHRBVQGLIPMBCK-CYBMUJFWSA-N -1 3 384.197 2.019 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C[C@H](c2ccccn2)CC1=O ZINC000735426253 598828247 /nfs/dbraw/zinc/82/82/47/598828247.db2.gz NBXJVPHBTVYVJA-GOSISDBHSA-N -1 3 389.463 2.223 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C[C@H](c2ccccn2)CC1=O ZINC000735426253 598828249 /nfs/dbraw/zinc/82/82/49/598828249.db2.gz NBXJVPHBTVYVJA-GOSISDBHSA-N -1 3 389.463 2.223 20 30 GEEDHM C#CCSCCNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735388279 598849314 /nfs/dbraw/zinc/84/93/14/598849314.db2.gz WHPYYXWBXMTKCM-UHFFFAOYSA-N -1 3 383.433 2.135 20 30 GEEDHM C#CCSCCNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735388279 598849316 /nfs/dbraw/zinc/84/93/16/598849316.db2.gz WHPYYXWBXMTKCM-UHFFFAOYSA-N -1 3 383.433 2.135 20 30 GEEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736310134 598867319 /nfs/dbraw/zinc/86/73/19/598867319.db2.gz VATORUVAHXYRMJ-INIZCTEOSA-N -1 3 392.419 2.243 20 30 GEEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736310134 598867321 /nfs/dbraw/zinc/86/73/21/598867321.db2.gz VATORUVAHXYRMJ-INIZCTEOSA-N -1 3 392.419 2.243 20 30 GEEDHM CC[C@H](C#N)Oc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736309131 598870890 /nfs/dbraw/zinc/87/08/90/598870890.db2.gz KOVHEFGSJOGFOR-CYBMUJFWSA-N -1 3 380.368 2.463 20 30 GEEDHM CC[C@H](C#N)Oc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736309131 598870891 /nfs/dbraw/zinc/87/08/91/598870891.db2.gz KOVHEFGSJOGFOR-CYBMUJFWSA-N -1 3 380.368 2.463 20 30 GEEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736040146 598884815 /nfs/dbraw/zinc/88/48/15/598884815.db2.gz NKNORHDUDYJWMJ-ZDUSSCGKSA-N -1 3 379.376 2.128 20 30 GEEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736040146 598884816 /nfs/dbraw/zinc/88/48/16/598884816.db2.gz NKNORHDUDYJWMJ-ZDUSSCGKSA-N -1 3 379.376 2.128 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896824 598895772 /nfs/dbraw/zinc/89/57/72/598895772.db2.gz KDULORIJLONTDR-LENZSSGSSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896824 598895774 /nfs/dbraw/zinc/89/57/74/598895774.db2.gz KDULORIJLONTDR-LENZSSGSSA-N -1 3 389.371 2.209 20 30 GEEDHM CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1[N+](=O)[O-] ZINC000736637030 598916355 /nfs/dbraw/zinc/91/63/55/598916355.db2.gz MQEPCSBGNQLDEO-UHFFFAOYSA-N -1 3 379.336 2.298 20 30 GEEDHM CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1[N+](=O)[O-] ZINC000736637030 598916356 /nfs/dbraw/zinc/91/63/56/598916356.db2.gz MQEPCSBGNQLDEO-UHFFFAOYSA-N -1 3 379.336 2.298 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1-c1nnn[n-]1 ZINC000737716638 598917813 /nfs/dbraw/zinc/91/78/13/598917813.db2.gz SYLIMESCPCRUEL-MRXNPFEDSA-N -1 3 377.339 2.009 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1-c1nn[n-]n1 ZINC000737716638 598917814 /nfs/dbraw/zinc/91/78/14/598917814.db2.gz SYLIMESCPCRUEL-MRXNPFEDSA-N -1 3 377.339 2.009 20 30 GEEDHM CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736497460 598922123 /nfs/dbraw/zinc/92/21/23/598922123.db2.gz HSZFABKIPCAWQK-UHFFFAOYSA-N -1 3 396.432 2.174 20 30 GEEDHM CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736497460 598922124 /nfs/dbraw/zinc/92/21/24/598922124.db2.gz HSZFABKIPCAWQK-UHFFFAOYSA-N -1 3 396.432 2.174 20 30 GEEDHM Cc1ccc(C#N)cc1S(=O)(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737306122 598955553 /nfs/dbraw/zinc/95/55/53/598955553.db2.gz NSZDBIFGKZKLKN-UHFFFAOYSA-N -1 3 394.460 2.400 20 30 GEEDHM Cc1ccc(C#N)cc1S(=O)(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737306122 598955554 /nfs/dbraw/zinc/95/55/54/598955554.db2.gz NSZDBIFGKZKLKN-UHFFFAOYSA-N -1 3 394.460 2.400 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000735418114 599059865 /nfs/dbraw/zinc/05/98/65/599059865.db2.gz ASRZXBZMHOJJNC-ZACQAIPSSA-N -1 3 382.468 2.378 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000735418114 599059868 /nfs/dbraw/zinc/05/98/68/599059868.db2.gz ASRZXBZMHOJJNC-ZACQAIPSSA-N -1 3 382.468 2.378 20 30 GEEDHM COc1ccc(C=NN2C(=S)N=NC2c2ccccc2)cc1-c1nnn[n-]1 ZINC000737082901 599126084 /nfs/dbraw/zinc/12/60/84/599126084.db2.gz MCUGPSOARJUKNN-UHFFFAOYSA-N -1 3 378.421 2.305 20 30 GEEDHM COc1ccc(C=NN2C(=S)N=NC2c2ccccc2)cc1-c1nn[n-]n1 ZINC000737082901 599126087 /nfs/dbraw/zinc/12/60/87/599126087.db2.gz MCUGPSOARJUKNN-UHFFFAOYSA-N -1 3 378.421 2.305 20 30 GEEDHM CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736700596 599152200 /nfs/dbraw/zinc/15/22/00/599152200.db2.gz VIRUCWMIXVYRRF-HNNXBMFYSA-N -1 3 389.419 2.348 20 30 GEEDHM CC1CCC(N2C[C@H](C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)CC2=O)CC1 ZINC000736242258 599195129 /nfs/dbraw/zinc/19/51/29/599195129.db2.gz QQOJXGKXKKNBIT-CXOJTPOUSA-N -1 3 393.451 2.104 20 30 GEEDHM CC1CCC(N2C[C@H](C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)CC2=O)CC1 ZINC000736242258 599195131 /nfs/dbraw/zinc/19/51/31/599195131.db2.gz QQOJXGKXKKNBIT-CXOJTPOUSA-N -1 3 393.451 2.104 20 30 GEEDHM N#Cc1cc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)ccc1-c1nnn[n-]1 ZINC000737703441 599194322 /nfs/dbraw/zinc/19/43/22/599194322.db2.gz BUNNPALAFALESC-INIZCTEOSA-N -1 3 395.329 2.148 20 30 GEEDHM N#Cc1cc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)ccc1-c1nn[n-]n1 ZINC000737703441 599194324 /nfs/dbraw/zinc/19/43/24/599194324.db2.gz BUNNPALAFALESC-INIZCTEOSA-N -1 3 395.329 2.148 20 30 GEEDHM N#Cc1ccc(OCc2cccc(C(=O)Nc3ccncc3-c3nnn[n-]3)c2)cc1 ZINC000737722496 599252808 /nfs/dbraw/zinc/25/28/08/599252808.db2.gz VOOVJAXSFJOEHQ-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM N#Cc1ccc(OCc2cccc(C(=O)Nc3ccncc3-c3nn[n-]n3)c2)cc1 ZINC000737722496 599252810 /nfs/dbraw/zinc/25/28/10/599252810.db2.gz VOOVJAXSFJOEHQ-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM N#Cc1cccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822837837 607298312 /nfs/dbraw/zinc/29/83/12/607298312.db2.gz VFGCLVHGQYKJMD-UHFFFAOYSA-N -1 3 375.392 2.486 20 30 GEEDHM N#Cc1cccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822837837 607298313 /nfs/dbraw/zinc/29/83/13/607298313.db2.gz VFGCLVHGQYKJMD-UHFFFAOYSA-N -1 3 375.392 2.486 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000819745572 607333813 /nfs/dbraw/zinc/33/38/13/607333813.db2.gz KIJCISHZIVZGEE-UHFFFAOYSA-N -1 3 386.412 2.221 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819745572 607333814 /nfs/dbraw/zinc/33/38/14/607333814.db2.gz KIJCISHZIVZGEE-UHFFFAOYSA-N -1 3 386.412 2.221 20 30 GEEDHM N#Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000737718701 598247549 /nfs/dbraw/zinc/24/75/49/598247549.db2.gz ORRBIZKAVPHDHE-UHFFFAOYSA-N -1 3 394.370 2.112 20 30 GEEDHM N#Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000737718701 598247550 /nfs/dbraw/zinc/24/75/50/598247550.db2.gz ORRBIZKAVPHDHE-UHFFFAOYSA-N -1 3 394.370 2.112 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000737221180 598271988 /nfs/dbraw/zinc/27/19/88/598271988.db2.gz GVOBNYNCADEZAR-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000737221180 598271990 /nfs/dbraw/zinc/27/19/90/598271990.db2.gz GVOBNYNCADEZAR-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737230408 598272783 /nfs/dbraw/zinc/27/27/83/598272783.db2.gz FFJRYFMPPGJIFE-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737230408 598272785 /nfs/dbraw/zinc/27/27/85/598272785.db2.gz FFJRYFMPPGJIFE-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1F ZINC000737355617 598274176 /nfs/dbraw/zinc/27/41/76/598274176.db2.gz JSLKKFNPZGWRDX-SECBINFHSA-N -1 3 398.427 2.282 20 30 GEEDHM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1F ZINC000737355617 598274178 /nfs/dbraw/zinc/27/41/78/598274178.db2.gz JSLKKFNPZGWRDX-SECBINFHSA-N -1 3 398.427 2.282 20 30 GEEDHM CCS(=O)(=O)Nc1ccc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736663991 598276617 /nfs/dbraw/zinc/27/66/17/598276617.db2.gz JANWNVTUPJHSOX-UHFFFAOYSA-N -1 3 385.453 2.464 20 30 GEEDHM CCS(=O)(=O)Nc1ccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736663991 598276618 /nfs/dbraw/zinc/27/66/18/598276618.db2.gz JANWNVTUPJHSOX-UHFFFAOYSA-N -1 3 385.453 2.464 20 30 GEEDHM C=CCNC(=O)[C@H](C)OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000735428249 598311635 /nfs/dbraw/zinc/31/16/35/598311635.db2.gz JPPODYVHQDXXPL-ZDUSSCGKSA-N -1 3 377.404 2.381 20 30 GEEDHM C=CCNC(=O)[C@H](C)OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735428249 598311636 /nfs/dbraw/zinc/31/16/36/598311636.db2.gz JPPODYVHQDXXPL-ZDUSSCGKSA-N -1 3 377.404 2.381 20 30 GEEDHM N#C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000737678451 598362032 /nfs/dbraw/zinc/36/20/32/598362032.db2.gz IEAVTLUEKMRAJN-QGZVFWFLSA-N -1 3 376.376 2.024 20 30 GEEDHM N#C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000737678451 598362034 /nfs/dbraw/zinc/36/20/34/598362034.db2.gz IEAVTLUEKMRAJN-QGZVFWFLSA-N -1 3 376.376 2.024 20 30 GEEDHM N#C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000737679765 598373128 /nfs/dbraw/zinc/37/31/28/598373128.db2.gz SPHOOKXKYUEHKY-KRWDZBQOSA-N -1 3 391.391 2.415 20 30 GEEDHM N#C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000737679765 598373129 /nfs/dbraw/zinc/37/31/29/598373129.db2.gz SPHOOKXKYUEHKY-KRWDZBQOSA-N -1 3 391.391 2.415 20 30 GEEDHM C#CCOc1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735387940 598428016 /nfs/dbraw/zinc/42/80/16/598428016.db2.gz LOPSMOWMSVIGHD-UHFFFAOYSA-N -1 3 390.808 2.300 20 30 GEEDHM C#CCOc1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735387940 598428018 /nfs/dbraw/zinc/42/80/18/598428018.db2.gz LOPSMOWMSVIGHD-UHFFFAOYSA-N -1 3 390.808 2.300 20 30 GEEDHM COc1ccc(O)c(C=NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000737106138 598439758 /nfs/dbraw/zinc/43/97/58/598439758.db2.gz NWHFRGUNTDPEFA-UDWIEESQSA-N -1 3 379.424 2.064 20 30 GEEDHM COc1ccc(O)c(C=NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737106138 598439759 /nfs/dbraw/zinc/43/97/59/598439759.db2.gz NWHFRGUNTDPEFA-UDWIEESQSA-N -1 3 379.424 2.064 20 30 GEEDHM CN(CCCNC(=S)NN=Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736801772 598440182 /nfs/dbraw/zinc/44/01/82/598440182.db2.gz UWIWXZHDFXGDFE-UHFFFAOYSA-N -1 3 394.508 2.191 20 30 GEEDHM CN(CCCNC(=S)NN=Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736801772 598440184 /nfs/dbraw/zinc/44/01/84/598440184.db2.gz UWIWXZHDFXGDFE-UHFFFAOYSA-N -1 3 394.508 2.191 20 30 GEEDHM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735425659 598506751 /nfs/dbraw/zinc/50/67/51/598506751.db2.gz DKDSFXHMNORBCZ-UHFFFAOYSA-N -1 3 394.460 2.256 20 30 GEEDHM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735425659 598506752 /nfs/dbraw/zinc/50/67/52/598506752.db2.gz DKDSFXHMNORBCZ-UHFFFAOYSA-N -1 3 394.460 2.256 20 30 GEEDHM CCC(CC)CN(CCC#N)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736338570 598510386 /nfs/dbraw/zinc/51/03/86/598510386.db2.gz XTXGOZVQUAHAAW-UHFFFAOYSA-N -1 3 376.486 2.348 20 30 GEEDHM CCC(CC)CN(CCC#N)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736338570 598510387 /nfs/dbraw/zinc/51/03/87/598510387.db2.gz XTXGOZVQUAHAAW-UHFFFAOYSA-N -1 3 376.486 2.348 20 30 GEEDHM C=CCNC(=S)NN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735431803 598545875 /nfs/dbraw/zinc/54/58/75/598545875.db2.gz IREOZVFTGJTNQT-UHFFFAOYSA-N -1 3 393.476 2.430 20 30 GEEDHM C=CCNC(=S)NN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735431803 598545877 /nfs/dbraw/zinc/54/58/77/598545877.db2.gz IREOZVFTGJTNQT-UHFFFAOYSA-N -1 3 393.476 2.430 20 30 GEEDHM N#C[C@]1(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCSC1 ZINC000737678596 598550261 /nfs/dbraw/zinc/55/02/61/598550261.db2.gz KUNDNZDBAIVTGY-GOSISDBHSA-N -1 3 396.432 2.168 20 30 GEEDHM N#Cc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)ccc1Cl ZINC000737707903 598558824 /nfs/dbraw/zinc/55/88/24/598558824.db2.gz ADFGUWFFHZWHLC-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)ccc1Cl ZINC000737707903 598558826 /nfs/dbraw/zinc/55/88/26/598558826.db2.gz ADFGUWFFHZWHLC-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1F ZINC000737720940 598559103 /nfs/dbraw/zinc/55/91/03/598559103.db2.gz CEEKKKKHQYBNHS-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1F ZINC000737720940 598559104 /nfs/dbraw/zinc/55/91/04/598559104.db2.gz CEEKKKKHQYBNHS-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1cc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737705931 598582394 /nfs/dbraw/zinc/58/23/94/598582394.db2.gz RUFZCWYMJGUMCT-KRWDZBQOSA-N -1 3 377.383 2.485 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@@H]1CCCc2ccccc2C1=O ZINC000737704487 598582954 /nfs/dbraw/zinc/58/29/54/598582954.db2.gz GOZZYDMMUFCZSG-CQSZACIVSA-N -1 3 377.433 2.395 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@@H]1CCCc2ccccc2C1=O ZINC000737704487 598582955 /nfs/dbraw/zinc/58/29/55/598582955.db2.gz GOZZYDMMUFCZSG-CQSZACIVSA-N -1 3 377.433 2.395 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737513912 598588232 /nfs/dbraw/zinc/58/82/32/598588232.db2.gz YOEISJMEFXCAAS-UHFFFAOYSA-N -1 3 382.403 2.304 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737513912 598588234 /nfs/dbraw/zinc/58/82/34/598588234.db2.gz YOEISJMEFXCAAS-UHFFFAOYSA-N -1 3 382.403 2.304 20 30 GEEDHM C#CCNC(=O)CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000735382042 598703314 /nfs/dbraw/zinc/70/33/14/598703314.db2.gz UWXIDVYUWZVKLC-UHFFFAOYSA-N -1 3 378.411 2.070 20 30 GEEDHM C#CCNC(=O)CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000735382042 598703315 /nfs/dbraw/zinc/70/33/15/598703315.db2.gz UWXIDVYUWZVKLC-UHFFFAOYSA-N -1 3 378.411 2.070 20 30 GEEDHM N#Cc1cnc2c(F)cc(F)cc2c1NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737728235 598771451 /nfs/dbraw/zinc/77/14/51/598771451.db2.gz JYBDSYFHMSNPMQ-UHFFFAOYSA-N -1 3 393.361 2.484 20 30 GEEDHM N#Cc1cnc2c(F)cc(F)cc2c1NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737728235 598771452 /nfs/dbraw/zinc/77/14/52/598771452.db2.gz JYBDSYFHMSNPMQ-UHFFFAOYSA-N -1 3 393.361 2.484 20 30 GEEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736505417 599309225 /nfs/dbraw/zinc/30/92/25/599309225.db2.gz NEBZHGDAINLDEF-UHFFFAOYSA-N -1 3 391.435 2.442 20 30 GEEDHM NC(=NOCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(Cl)cc1 ZINC000822850803 599383301 /nfs/dbraw/zinc/38/33/01/599383301.db2.gz QOZKGLVLBPWNLA-UHFFFAOYSA-N -1 3 396.798 2.407 20 30 GEEDHM NC(=NOCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(Cl)cc1 ZINC000822850803 599383305 /nfs/dbraw/zinc/38/33/05/599383305.db2.gz QOZKGLVLBPWNLA-UHFFFAOYSA-N -1 3 396.798 2.407 20 30 GEEDHM C[C@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820367907 599451595 /nfs/dbraw/zinc/45/15/95/599451595.db2.gz VHIJYWQWUKTFCC-ZDUSSCGKSA-N -1 3 377.408 2.178 20 30 GEEDHM COCCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000737010393 599463148 /nfs/dbraw/zinc/46/31/48/599463148.db2.gz AJEJIXWNLANZSU-YVMONPNESA-N -1 3 390.403 2.436 20 30 GEEDHM COCCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737010393 599463151 /nfs/dbraw/zinc/46/31/51/599463151.db2.gz AJEJIXWNLANZSU-YVMONPNESA-N -1 3 390.403 2.436 20 30 GEEDHM C#CCN(CC)C(=O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735374856 599507801 /nfs/dbraw/zinc/50/78/01/599507801.db2.gz NIMIGNKCVKKYRH-UHFFFAOYSA-N -1 3 390.403 2.079 20 30 GEEDHM C#CCN(CC)C(=O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735374856 599507803 /nfs/dbraw/zinc/50/78/03/599507803.db2.gz NIMIGNKCVKKYRH-UHFFFAOYSA-N -1 3 390.403 2.079 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820316086 599521184 /nfs/dbraw/zinc/52/11/84/599521184.db2.gz SHSFMCVMRGCSQV-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820316086 599521186 /nfs/dbraw/zinc/52/11/86/599521186.db2.gz SHSFMCVMRGCSQV-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM N#Cc1cc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c2ccccc2n1 ZINC000822823502 599522456 /nfs/dbraw/zinc/52/24/56/599522456.db2.gz RUVGNCPNPCNMHZ-UHFFFAOYSA-N -1 3 397.446 2.184 20 30 GEEDHM N#Cc1cc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c2ccccc2n1 ZINC000822823502 599522460 /nfs/dbraw/zinc/52/24/60/599522460.db2.gz RUVGNCPNPCNMHZ-UHFFFAOYSA-N -1 3 397.446 2.184 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826257386 607383579 /nfs/dbraw/zinc/38/35/79/607383579.db2.gz ZZNGHLNWVIUICB-UHFFFAOYSA-N -1 3 396.794 2.496 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826257386 607383582 /nfs/dbraw/zinc/38/35/82/607383582.db2.gz ZZNGHLNWVIUICB-UHFFFAOYSA-N -1 3 396.794 2.496 20 30 GEEDHM C#CCCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819693089 599615551 /nfs/dbraw/zinc/61/55/51/599615551.db2.gz NHAFKXWIOSOCJE-UHFFFAOYSA-N -1 3 390.403 2.127 20 30 GEEDHM C#CCCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000819693089 599615552 /nfs/dbraw/zinc/61/55/52/599615552.db2.gz NHAFKXWIOSOCJE-UHFFFAOYSA-N -1 3 390.403 2.127 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC000819743625 599698178 /nfs/dbraw/zinc/69/81/78/599698178.db2.gz MSTWKIWITAEOFH-IAGOWNOFSA-N -1 3 383.452 2.361 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC000819743625 599698179 /nfs/dbraw/zinc/69/81/79/599698179.db2.gz MSTWKIWITAEOFH-IAGOWNOFSA-N -1 3 383.452 2.361 20 30 GEEDHM COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826220589 607399411 /nfs/dbraw/zinc/39/94/11/607399411.db2.gz SHCBLADLMYRTAV-AWEZNQCLSA-N -1 3 376.376 2.145 20 30 GEEDHM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000739066538 600298491 /nfs/dbraw/zinc/29/84/91/600298491.db2.gz OGNCWIHRCYOLPH-GJZGRUSLSA-N -1 3 376.416 2.410 20 30 GEEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000736662492 600594168 /nfs/dbraw/zinc/59/41/68/600594168.db2.gz PJRZMPMKWJHLJX-FZKQIMNGSA-N -1 3 387.461 2.285 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1noc(C2CCCCC2)n1 ZINC000822819467 607463915 /nfs/dbraw/zinc/46/39/15/607463915.db2.gz SQJMMHNUAMALDV-UHFFFAOYSA-N -1 3 383.441 2.439 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1noc(C2CCCCC2)n1 ZINC000822819467 607463916 /nfs/dbraw/zinc/46/39/16/607463916.db2.gz SQJMMHNUAMALDV-UHFFFAOYSA-N -1 3 383.441 2.439 20 30 GEEDHM N#Cc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000833073107 601732831 /nfs/dbraw/zinc/73/28/31/601732831.db2.gz VRDFTMHYCLMWDN-QFIPXVFZSA-N -1 3 377.444 2.336 20 30 GEEDHM COc1ccc(CNC(=O)N[C@H](C)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000826198556 607565756 /nfs/dbraw/zinc/56/57/56/607565756.db2.gz BVPLUOOCYBSUJJ-GFCCVEGCSA-N -1 3 377.408 2.307 20 30 GEEDHM COc1ccc(CNC(=O)N[C@H](C)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000826198556 607565757 /nfs/dbraw/zinc/56/57/57/607565757.db2.gz BVPLUOOCYBSUJJ-GFCCVEGCSA-N -1 3 377.408 2.307 20 30 GEEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000739605674 602717646 /nfs/dbraw/zinc/71/76/46/602717646.db2.gz DRCOEGPCXHTRNB-SFHVURJKSA-N -1 3 387.484 2.021 20 30 GEEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000739606021 602969555 /nfs/dbraw/zinc/96/95/55/602969555.db2.gz MREDIUDZWYYJEO-GOSISDBHSA-N -1 3 387.484 2.164 20 30 GEEDHM N#Cc1ccccc1S(=O)(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826387275 607600958 /nfs/dbraw/zinc/60/09/58/607600958.db2.gz NGJBRIDREOCRQY-UHFFFAOYSA-N -1 3 380.433 2.092 20 30 GEEDHM N#Cc1ccccc1S(=O)(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826387275 607600960 /nfs/dbraw/zinc/60/09/60/607600960.db2.gz NGJBRIDREOCRQY-UHFFFAOYSA-N -1 3 380.433 2.092 20 30 GEEDHM Cc1csc(=NC[C@@H]2CCCO2)n1N=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826320671 607634150 /nfs/dbraw/zinc/63/41/50/607634150.db2.gz ZGPCFPFRCIWIPF-AWEZNQCLSA-N -1 3 387.444 2.139 20 30 GEEDHM Cc1csc(=NC[C@@H]2CCCO2)n1N=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826320671 607634151 /nfs/dbraw/zinc/63/41/51/607634151.db2.gz ZGPCFPFRCIWIPF-AWEZNQCLSA-N -1 3 387.444 2.139 20 30 GEEDHM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000825893700 603705819 /nfs/dbraw/zinc/70/58/19/603705819.db2.gz AYXFTHYTAFNZNM-KSSFIOAISA-N -1 3 379.482 2.138 20 30 GEEDHM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000827015382 604512881 /nfs/dbraw/zinc/51/28/81/604512881.db2.gz CFSCBABVOWVJLK-YOEHRIQHSA-N -1 3 382.420 2.034 20 30 GEEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 ZINC000833419639 604862655 /nfs/dbraw/zinc/86/26/55/604862655.db2.gz IMCHJCKUNHEXNQ-QGZVFWFLSA-N -1 3 398.463 2.103 20 30 GEEDHM Cn1cc(C#N)cc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826358596 607770668 /nfs/dbraw/zinc/77/06/68/607770668.db2.gz ZYXZLUGOHCUOIC-UHFFFAOYSA-N -1 3 376.405 2.453 20 30 GEEDHM Cn1cc(C#N)cc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826358596 607770669 /nfs/dbraw/zinc/77/06/69/607770669.db2.gz ZYXZLUGOHCUOIC-UHFFFAOYSA-N -1 3 376.405 2.453 20 30 GEEDHM C=CCn1c(C)cc(C(=O)COC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C ZINC000819759411 606143461 /nfs/dbraw/zinc/14/34/61/606143461.db2.gz WULFDLOHELMYSL-UHFFFAOYSA-N -1 3 379.420 2.440 20 30 GEEDHM C=CCn1c(C)cc(C(=O)COC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000819759411 606143463 /nfs/dbraw/zinc/14/34/63/606143463.db2.gz WULFDLOHELMYSL-UHFFFAOYSA-N -1 3 379.420 2.440 20 30 GEEDHM N#Cc1csc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1 ZINC000822846157 606223880 /nfs/dbraw/zinc/22/38/80/606223880.db2.gz PQXIYFBXONQEOS-UHFFFAOYSA-N -1 3 381.465 2.373 20 30 GEEDHM N#Cc1csc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1 ZINC000822846157 606223882 /nfs/dbraw/zinc/22/38/82/606223882.db2.gz PQXIYFBXONQEOS-UHFFFAOYSA-N -1 3 381.465 2.373 20 30 GEEDHM CCOc1ccc(C#N)cc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821416732 606246815 /nfs/dbraw/zinc/24/68/15/606246815.db2.gz CSPXJXOUIBUUEG-INIZCTEOSA-N -1 3 389.419 2.354 20 30 GEEDHM CCOc1ccc(C#N)cc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821416732 606246816 /nfs/dbraw/zinc/24/68/16/606246816.db2.gz CSPXJXOUIBUUEG-INIZCTEOSA-N -1 3 389.419 2.354 20 30 GEEDHM N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000822801321 606320688 /nfs/dbraw/zinc/32/06/88/606320688.db2.gz GZYKHFWNJLHFRL-GFCCVEGCSA-N -1 3 377.286 2.088 20 30 GEEDHM N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000822801321 606320689 /nfs/dbraw/zinc/32/06/89/606320689.db2.gz GZYKHFWNJLHFRL-GFCCVEGCSA-N -1 3 377.286 2.088 20 30 GEEDHM C=CCN(C(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819740331 606340249 /nfs/dbraw/zinc/34/02/49/606340249.db2.gz YAFXWLGAQVJGDL-UHFFFAOYSA-N -1 3 375.376 2.471 20 30 GEEDHM C=CCN(C(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819740331 606340251 /nfs/dbraw/zinc/34/02/51/606340251.db2.gz YAFXWLGAQVJGDL-UHFFFAOYSA-N -1 3 375.376 2.471 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000821646541 606367934 /nfs/dbraw/zinc/36/79/34/606367934.db2.gz JXMOURISZXGRGP-BBVFFXRHSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000821646541 606367936 /nfs/dbraw/zinc/36/79/36/606367936.db2.gz JXMOURISZXGRGP-BBVFFXRHSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821647200 606368203 /nfs/dbraw/zinc/36/82/03/606368203.db2.gz VOPPYLMSPGEMBS-SFHVURJKSA-N -1 3 391.387 2.128 20 30 GEEDHM COC(=O)[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821647200 606368205 /nfs/dbraw/zinc/36/82/05/606368205.db2.gz VOPPYLMSPGEMBS-SFHVURJKSA-N -1 3 391.387 2.128 20 30 GEEDHM Cc1cc(C(=O)CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)c(F)cc1F ZINC000822166962 606399766 /nfs/dbraw/zinc/39/97/66/606399766.db2.gz AGBQQGZQNQXBAI-UHFFFAOYSA-N -1 3 387.375 2.277 20 30 GEEDHM Cc1cc(C(=O)CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)c(F)cc1F ZINC000822166962 606399767 /nfs/dbraw/zinc/39/97/67/606399767.db2.gz AGBQQGZQNQXBAI-UHFFFAOYSA-N -1 3 387.375 2.277 20 30 GEEDHM CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821492920 606405430 /nfs/dbraw/zinc/40/54/30/606405430.db2.gz ZLUGOZHVUZYCAF-HNNXBMFYSA-N -1 3 391.435 2.291 20 30 GEEDHM CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821492920 606405431 /nfs/dbraw/zinc/40/54/31/606405431.db2.gz ZLUGOZHVUZYCAF-HNNXBMFYSA-N -1 3 391.435 2.291 20 30 GEEDHM N#Cc1csc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000822842771 606508536 /nfs/dbraw/zinc/50/85/36/606508536.db2.gz XXWSSXKZVHHICK-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000822801716 606554057 /nfs/dbraw/zinc/55/40/57/606554057.db2.gz MZYMLKITQAQWAT-HNNXBMFYSA-N -1 3 397.439 2.090 20 30 GEEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000822801716 606554059 /nfs/dbraw/zinc/55/40/59/606554059.db2.gz MZYMLKITQAQWAT-HNNXBMFYSA-N -1 3 397.439 2.090 20 30 GEEDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)N(CCC#N)c1ccccc1 ZINC000820508022 606568324 /nfs/dbraw/zinc/56/83/24/606568324.db2.gz LCIAHFBSSKQDIB-GFCCVEGCSA-N -1 3 396.432 2.420 20 30 GEEDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)N(CCC#N)c1ccccc1 ZINC000820508022 606568325 /nfs/dbraw/zinc/56/83/25/606568325.db2.gz LCIAHFBSSKQDIB-GFCCVEGCSA-N -1 3 396.432 2.420 20 30 GEEDHM COc1ccc(CN=C2NN=C(c3ccc(-c4nnn[n-]4)cc3)CS2)cc1 ZINC000821803784 606631827 /nfs/dbraw/zinc/63/18/27/606631827.db2.gz HOXLFOZYJDQDEK-UHFFFAOYSA-N -1 3 379.449 2.472 20 30 GEEDHM COc1ccc(CN=C2NN=C(c3ccc(-c4nn[n-]n4)cc3)CS2)cc1 ZINC000821803784 606631829 /nfs/dbraw/zinc/63/18/29/606631829.db2.gz HOXLFOZYJDQDEK-UHFFFAOYSA-N -1 3 379.449 2.472 20 30 GEEDHM CC(C)C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)N1CCCCC1=O ZINC000820050636 606680596 /nfs/dbraw/zinc/68/05/96/606680596.db2.gz DLWOJOKWONQQHW-INIZCTEOSA-N -1 3 381.440 2.104 20 30 GEEDHM CC(C)C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)N1CCCCC1=O ZINC000820050636 606680597 /nfs/dbraw/zinc/68/05/97/606680597.db2.gz DLWOJOKWONQQHW-INIZCTEOSA-N -1 3 381.440 2.104 20 30 GEEDHM C=CC[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)c1ccncc1 ZINC000819734774 606742194 /nfs/dbraw/zinc/74/21/94/606742194.db2.gz SUHZYWOHHKQOJE-AWEZNQCLSA-N -1 3 397.826 2.287 20 30 GEEDHM C=CC[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)c1ccncc1 ZINC000819734774 606742196 /nfs/dbraw/zinc/74/21/96/606742196.db2.gz SUHZYWOHHKQOJE-AWEZNQCLSA-N -1 3 397.826 2.287 20 30 GEEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819730053 606837030 /nfs/dbraw/zinc/83/70/30/606837030.db2.gz RCHIMQPESANDJT-GFCCVEGCSA-N -1 3 378.392 2.288 20 30 GEEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819730053 606837033 /nfs/dbraw/zinc/83/70/33/606837033.db2.gz RCHIMQPESANDJT-GFCCVEGCSA-N -1 3 378.392 2.288 20 30 GEEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819730309 606837233 /nfs/dbraw/zinc/83/72/33/606837233.db2.gz VNQWFRQEEUAVJH-GFCCVEGCSA-N -1 3 378.392 2.288 20 30 GEEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819730309 606837235 /nfs/dbraw/zinc/83/72/35/606837235.db2.gz VNQWFRQEEUAVJH-GFCCVEGCSA-N -1 3 378.392 2.288 20 30 GEEDHM N#Cc1cccc(OCCCOC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822837136 606947221 /nfs/dbraw/zinc/94/72/21/606947221.db2.gz GJBHRYNJWWTNPL-UHFFFAOYSA-N -1 3 378.392 2.163 20 30 GEEDHM COC(=O)C[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821657065 606951849 /nfs/dbraw/zinc/95/18/49/606951849.db2.gz GSXGOGOKHGPUCN-MFKMUULPSA-N -1 3 396.432 2.366 20 30 GEEDHM COC(=O)C[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821657065 606951851 /nfs/dbraw/zinc/95/18/51/606951851.db2.gz GSXGOGOKHGPUCN-MFKMUULPSA-N -1 3 396.432 2.366 20 30 GEEDHM C[C@@H](Nc1ccc(F)cc1OCC#N)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820455121 607145211 /nfs/dbraw/zinc/14/52/11/607145211.db2.gz DLYHHCKSGXDZMN-LLVKDONJSA-N -1 3 381.371 2.347 20 30 GEEDHM C[C@@H](Nc1ccc(F)cc1OCC#N)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820455121 607145212 /nfs/dbraw/zinc/14/52/12/607145212.db2.gz DLYHHCKSGXDZMN-LLVKDONJSA-N -1 3 381.371 2.347 20 30 GEEDHM S=C1N=NC([C@H]2CCCCO2)N1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000823737916 607149714 /nfs/dbraw/zinc/14/97/14/607149714.db2.gz KZJYGCHUJWZVII-CQSZACIVSA-N -1 3 395.452 2.352 20 30 GEEDHM S=C1N=NC([C@H]2CCCCO2)N1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823737916 607149715 /nfs/dbraw/zinc/14/97/15/607149715.db2.gz KZJYGCHUJWZVII-CQSZACIVSA-N -1 3 395.452 2.352 20 30 GEEDHM Cc1ccccc1-c1nc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)no1 ZINC000822344875 607157790 /nfs/dbraw/zinc/15/77/90/607157790.db2.gz CAKYOLQEUTWTQS-UHFFFAOYSA-N -1 3 391.420 2.366 20 30 GEEDHM Cc1ccccc1-c1nc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)no1 ZINC000822344875 607157792 /nfs/dbraw/zinc/15/77/92/607157792.db2.gz CAKYOLQEUTWTQS-UHFFFAOYSA-N -1 3 391.420 2.366 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(C#N)cc1 ZINC000820316023 607179746 /nfs/dbraw/zinc/17/97/46/607179746.db2.gz RCMRDOZELJRYEZ-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(C#N)cc1 ZINC000820316023 607179747 /nfs/dbraw/zinc/17/97/47/607179747.db2.gz RCMRDOZELJRYEZ-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM C#CCOc1ccc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cc1 ZINC000819709494 607187338 /nfs/dbraw/zinc/18/73/38/607187338.db2.gz GWUGSKCGLPZGCR-UHFFFAOYSA-N -1 3 399.414 2.199 20 30 GEEDHM C#CCOc1ccc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cc1 ZINC000819709494 607187339 /nfs/dbraw/zinc/18/73/39/607187339.db2.gz GWUGSKCGLPZGCR-UHFFFAOYSA-N -1 3 399.414 2.199 20 30 GEEDHM CCOC(=O)C(F)(F)[C@@H]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825493879 607782851 /nfs/dbraw/zinc/78/28/51/607782851.db2.gz QAGUUQSRVODTMJ-CYBMUJFWSA-N -1 3 378.383 2.311 20 30 GEEDHM CCOC(=O)C(F)(F)[C@@H]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825493879 607782852 /nfs/dbraw/zinc/78/28/52/607782852.db2.gz QAGUUQSRVODTMJ-CYBMUJFWSA-N -1 3 378.383 2.311 20 30 GEEDHM N#Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)n2)ccc1-c1nnn[n-]1 ZINC000826384073 607786126 /nfs/dbraw/zinc/78/61/26/607786126.db2.gz FYQHDIUVEXPCBP-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM N#Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)n2)ccc1-c1nn[n-]n1 ZINC000826384073 607786127 /nfs/dbraw/zinc/78/61/27/607786127.db2.gz FYQHDIUVEXPCBP-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM C[C@H](C#N)CN(C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000824035539 607824203 /nfs/dbraw/zinc/82/42/03/607824203.db2.gz ZLOWADNIZGAMDU-CYBMUJFWSA-N -1 3 381.440 2.126 20 30 GEEDHM C[C@H](C#N)CN(C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000824035539 607824204 /nfs/dbraw/zinc/82/42/04/607824204.db2.gz ZLOWADNIZGAMDU-CYBMUJFWSA-N -1 3 381.440 2.126 20 30 GEEDHM CN(C)S(=O)(=O)c1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825875552 607883483 /nfs/dbraw/zinc/88/34/83/607883483.db2.gz SSKDHTCGQRJLSV-FMIVXFBMSA-N -1 3 383.433 2.013 20 30 GEEDHM CN(C)S(=O)(=O)c1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825875552 607883484 /nfs/dbraw/zinc/88/34/84/607883484.db2.gz SSKDHTCGQRJLSV-FMIVXFBMSA-N -1 3 383.433 2.013 20 30 GEEDHM CC(C)(C)NS(=O)(=O)c1ccccc1NN=Cc1ccccc1-c1nn[n-]n1 ZINC000824094531 607886550 /nfs/dbraw/zinc/88/65/50/607886550.db2.gz XYODXKMCLWTBKY-UHFFFAOYSA-N -1 3 399.480 2.390 20 30 GEEDHM O=C(NC1CC1)c1cc(F)c(N=NCc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000826428918 607889867 /nfs/dbraw/zinc/88/98/67/607889867.db2.gz PESWLPHREGBTNB-UHFFFAOYSA-N -1 3 383.362 2.483 20 30 GEEDHM O=C(NC1CC1)c1cc(F)c(N=NCc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000826428918 607889868 /nfs/dbraw/zinc/88/98/68/607889868.db2.gz PESWLPHREGBTNB-UHFFFAOYSA-N -1 3 383.362 2.483 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825839898 607915464 /nfs/dbraw/zinc/91/54/64/607915464.db2.gz KUBDSIDPPROBTQ-WMZJFQQLSA-N -1 3 395.394 2.369 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825839898 607915465 /nfs/dbraw/zinc/91/54/65/607915465.db2.gz KUBDSIDPPROBTQ-WMZJFQQLSA-N -1 3 395.394 2.369 20 30 GEEDHM COC(=O)COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826138355 607917056 /nfs/dbraw/zinc/91/70/56/607917056.db2.gz QWJMWDUIHXKOJF-OQFOIZHKSA-N -1 3 382.351 2.454 20 30 GEEDHM COC(=O)COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826138355 607917057 /nfs/dbraw/zinc/91/70/57/607917057.db2.gz QWJMWDUIHXKOJF-OQFOIZHKSA-N -1 3 382.351 2.454 20 30 GEEDHM C=CCCOCCNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000823899601 607934935 /nfs/dbraw/zinc/93/49/35/607934935.db2.gz ZGMGBTOXBVLRIF-UHFFFAOYSA-N -1 3 376.367 2.443 20 30 GEEDHM C=CCCOCCNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000823899601 607934936 /nfs/dbraw/zinc/93/49/36/607934936.db2.gz ZGMGBTOXBVLRIF-UHFFFAOYSA-N -1 3 376.367 2.443 20 30 GEEDHM N#Cc1ccc(F)c(CS(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826385608 608001875 /nfs/dbraw/zinc/00/18/75/608001875.db2.gz UAJLQDWHESJBTA-UHFFFAOYSA-N -1 3 393.787 2.440 20 30 GEEDHM N#Cc1ccc(F)c(CS(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826385608 608001876 /nfs/dbraw/zinc/00/18/76/608001876.db2.gz UAJLQDWHESJBTA-UHFFFAOYSA-N -1 3 393.787 2.440 20 30 GEEDHM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1C ZINC000826272453 608004899 /nfs/dbraw/zinc/00/48/99/608004899.db2.gz KMXLLXLGEKYBQA-UHFFFAOYSA-N -1 3 396.432 2.011 20 30 GEEDHM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1C ZINC000826272453 608004900 /nfs/dbraw/zinc/00/49/00/608004900.db2.gz KMXLLXLGEKYBQA-UHFFFAOYSA-N -1 3 396.432 2.011 20 30 GEEDHM O=C(NCC#Cc1ccccc1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826433075 608061431 /nfs/dbraw/zinc/06/14/31/608061431.db2.gz SXGFANBTFPGPRO-LJQANCHMSA-N -1 3 388.431 2.001 20 30 GEEDHM O=C(NCC#Cc1ccccc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826433075 608061432 /nfs/dbraw/zinc/06/14/32/608061432.db2.gz SXGFANBTFPGPRO-LJQANCHMSA-N -1 3 388.431 2.001 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823878167 608066133 /nfs/dbraw/zinc/06/61/33/608066133.db2.gz RYKBDQSUHCOLKA-CRAIPNDOSA-N -1 3 384.484 2.053 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823878167 608066134 /nfs/dbraw/zinc/06/61/34/608066134.db2.gz RYKBDQSUHCOLKA-CRAIPNDOSA-N -1 3 384.484 2.053 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823878169 608066153 /nfs/dbraw/zinc/06/61/53/608066153.db2.gz RYKBDQSUHCOLKA-QAPCUYQASA-N -1 3 384.484 2.053 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823878169 608066154 /nfs/dbraw/zinc/06/61/54/608066154.db2.gz RYKBDQSUHCOLKA-QAPCUYQASA-N -1 3 384.484 2.053 20 30 GEEDHM N#Cc1ccc(OCCN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826386216 608066876 /nfs/dbraw/zinc/06/68/76/608066876.db2.gz UOJSUIQAMLRZQS-LJQANCHMSA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1ccc(OCCN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826386216 608066877 /nfs/dbraw/zinc/06/68/77/608066877.db2.gz UOJSUIQAMLRZQS-LJQANCHMSA-N -1 3 376.420 2.191 20 30 GEEDHM COc1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1C#N ZINC000826195407 608067406 /nfs/dbraw/zinc/06/74/06/608067406.db2.gz SLRLRUCNUWTZFN-LJQANCHMSA-N -1 3 376.420 2.320 20 30 GEEDHM COc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1C#N ZINC000826195407 608067407 /nfs/dbraw/zinc/06/74/07/608067407.db2.gz SLRLRUCNUWTZFN-LJQANCHMSA-N -1 3 376.420 2.320 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(CCOc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000826386459 608070527 /nfs/dbraw/zinc/07/05/27/608070527.db2.gz GFJASWOVSOFEBG-IBGZPJMESA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(CCOc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000826386459 608070528 /nfs/dbraw/zinc/07/05/28/608070528.db2.gz GFJASWOVSOFEBG-IBGZPJMESA-N -1 3 376.420 2.191 20 30 GEEDHM N#CCOc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826382327 608070713 /nfs/dbraw/zinc/07/07/13/608070713.db2.gz YTTJBXQTOKRMAR-LJQANCHMSA-N -1 3 376.420 2.343 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CCO2)c1 ZINC000826386934 608073287 /nfs/dbraw/zinc/07/32/87/608073287.db2.gz YTZCMDZGUMBGGA-KRWDZBQOSA-N -1 3 393.382 2.483 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CCO2)c1 ZINC000826386934 608073288 /nfs/dbraw/zinc/07/32/88/608073288.db2.gz YTZCMDZGUMBGGA-KRWDZBQOSA-N -1 3 393.382 2.483 20 30 GEEDHM C#CCOc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000823855940 608086432 /nfs/dbraw/zinc/08/64/32/608086432.db2.gz FJWZKMMECBLLRJ-LJQANCHMSA-N -1 3 389.415 2.092 20 30 GEEDHM C#CCOc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000823855940 608086433 /nfs/dbraw/zinc/08/64/33/608086433.db2.gz FJWZKMMECBLLRJ-LJQANCHMSA-N 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608140790 /nfs/dbraw/zinc/14/07/90/608140790.db2.gz OIWIVVYUWFSLIE-IBGZPJMESA-N -1 3 376.424 2.127 20 30 GEEDHM Cc1ccc(C#N)c(N2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000826281240 608280947 /nfs/dbraw/zinc/28/09/47/608280947.db2.gz KNUYVLFJRUDRFJ-UHFFFAOYSA-N -1 3 388.435 2.297 20 30 GEEDHM Cc1ccc(C#N)c(N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000826281240 608280949 /nfs/dbraw/zinc/28/09/49/608280949.db2.gz KNUYVLFJRUDRFJ-UHFFFAOYSA-N -1 3 388.435 2.297 20 30 GEEDHM C#CC[C@H](NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000823838166 608340135 /nfs/dbraw/zinc/34/01/35/608340135.db2.gz KWWAQVKTPJHDGU-KRWDZBQOSA-N -1 3 385.424 2.190 20 30 GEEDHM C#CC[C@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000823838166 608340137 /nfs/dbraw/zinc/34/01/37/608340137.db2.gz KWWAQVKTPJHDGU-KRWDZBQOSA-N -1 3 385.424 2.190 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000823909468 608355167 /nfs/dbraw/zinc/35/51/67/608355167.db2.gz FOOGXBIZTWKUOG-QGZVFWFLSA-N -1 3 398.467 2.250 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000823909468 608355168 /nfs/dbraw/zinc/35/51/68/608355168.db2.gz FOOGXBIZTWKUOG-QGZVFWFLSA-N -1 3 398.467 2.250 20 30 GEEDHM C=CC[C@H](CO)CNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000823888843 608411573 /nfs/dbraw/zinc/41/15/73/608411573.db2.gz YODOIBAUWLZALU-JTQLQIEISA-N -1 3 376.367 2.035 20 30 GEEDHM C=CC[C@H](CO)CNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000823888843 608411574 /nfs/dbraw/zinc/41/15/74/608411574.db2.gz YODOIBAUWLZALU-JTQLQIEISA-N -1 3 376.367 2.035 20 30 GEEDHM Cc1cc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)nn1CCC#N ZINC000826269573 608475524 /nfs/dbraw/zinc/47/55/24/608475524.db2.gz PRLNSVUVYCQCHL-KRWDZBQOSA-N -1 3 394.439 2.327 20 30 GEEDHM Cc1cc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)nn1CCC#N ZINC000826269573 608475526 /nfs/dbraw/zinc/47/55/26/608475526.db2.gz PRLNSVUVYCQCHL-KRWDZBQOSA-N -1 3 394.439 2.327 20 30 GEEDHM C=CC[C@@H](CO)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000823888263 608476946 /nfs/dbraw/zinc/47/69/46/608476946.db2.gz ILUPAGWQAMLJNR-CYBMUJFWSA-N -1 3 395.423 2.360 20 30 GEEDHM C=CC[C@@H](CO)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000823888263 608476948 /nfs/dbraw/zinc/47/69/48/608476948.db2.gz ILUPAGWQAMLJNR-CYBMUJFWSA-N -1 3 395.423 2.360 20 30 GEEDHM Cc1cc(F)ccc1-n1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nn1 ZINC000826267888 608494190 /nfs/dbraw/zinc/49/41/90/608494190.db2.gz AQFBVKWKLGQHAN-UHFFFAOYSA-N -1 3 389.354 2.019 20 30 GEEDHM Cc1cc(F)ccc1-n1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nn1 ZINC000826267888 608494191 /nfs/dbraw/zinc/49/41/91/608494191.db2.gz AQFBVKWKLGQHAN-UHFFFAOYSA-N -1 3 389.354 2.019 20 30 GEEDHM C=CCOc1ccccc1CN1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823931676 608512812 /nfs/dbraw/zinc/51/28/12/608512812.db2.gz CYLJEPYHNORSEK-UHFFFAOYSA-N -1 3 377.452 2.149 20 30 GEEDHM Cc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1-n1cncn1 ZINC000826266736 608541004 /nfs/dbraw/zinc/54/10/04/608541004.db2.gz ZIFSBWWVAQBJDF-UHFFFAOYSA-N -1 3 380.803 2.250 20 30 GEEDHM Cc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1-n1cncn1 ZINC000826266736 608541006 /nfs/dbraw/zinc/54/10/06/608541006.db2.gz ZIFSBWWVAQBJDF-UHFFFAOYSA-N -1 3 380.803 2.250 20 30 GEEDHM N#C[C@H]1CN(Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000826380795 608685884 /nfs/dbraw/zinc/68/58/84/608685884.db2.gz MSCQLFKUBMMBPA-IBGZPJMESA-N -1 3 376.420 2.170 20 30 GEEDHM N#C[C@H]1CN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCO1 ZINC000826380795 608685886 /nfs/dbraw/zinc/68/58/86/608685886.db2.gz MSCQLFKUBMMBPA-IBGZPJMESA-N -1 3 376.420 2.170 20 30 GEEDHM COc1ccc(CNC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826201955 609158277 /nfs/dbraw/zinc/15/82/77/609158277.db2.gz JCZZAIYIJITYJB-UHFFFAOYSA-N -1 3 399.455 2.403 20 30 GEEDHM COc1ccc(CNC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826201955 609158278 /nfs/dbraw/zinc/15/82/78/609158278.db2.gz JCZZAIYIJITYJB-UHFFFAOYSA-N -1 3 399.455 2.403 20 30 GEEDHM Cc1cc(C(=O)N(C[C@@H](C)C#N)C2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257680 609164562 /nfs/dbraw/zinc/16/45/62/609164562.db2.gz LJEPSKCUBUBKAO-LBPRGKRZSA-N -1 3 376.424 2.125 20 30 GEEDHM Cc1cc(C(=O)N(C[C@@H](C)C#N)C2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257680 609164563 /nfs/dbraw/zinc/16/45/63/609164563.db2.gz LJEPSKCUBUBKAO-LBPRGKRZSA-N -1 3 376.424 2.125 20 30 GEEDHM COc1ccc(CNC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826201726 609276693 /nfs/dbraw/zinc/27/66/93/609276693.db2.gz CFDLHXIATRYKII-UHFFFAOYSA-N -1 3 399.455 2.403 20 30 GEEDHM COc1ccc(CNC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826201726 609276694 /nfs/dbraw/zinc/27/66/94/609276694.db2.gz CFDLHXIATRYKII-UHFFFAOYSA-N -1 3 399.455 2.403 20 30 GEEDHM Cn1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360363 609305097 /nfs/dbraw/zinc/30/50/97/609305097.db2.gz HYQPJEHJKIPXHG-UHFFFAOYSA-N -1 3 390.367 2.016 20 30 GEEDHM Cn1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360363 609305098 /nfs/dbraw/zinc/30/50/98/609305098.db2.gz HYQPJEHJKIPXHG-UHFFFAOYSA-N -1 3 390.367 2.016 20 30 GEEDHM C=CCn1nnnc1SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000823937442 609310170 /nfs/dbraw/zinc/31/01/70/609310170.db2.gz XZZUATYSSUMLNE-UHFFFAOYSA-N -1 3 379.247 2.094 20 30 GEEDHM C=CCn1nnnc1SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000823937442 609310172 /nfs/dbraw/zinc/31/01/72/609310172.db2.gz XZZUATYSSUMLNE-UHFFFAOYSA-N -1 3 379.247 2.094 20 30 GEEDHM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000823909662 609450225 /nfs/dbraw/zinc/45/02/25/609450225.db2.gz MRZATVJUMDNIDE-UHFFFAOYSA-N -1 3 377.401 2.018 20 30 GEEDHM N#Cc1ccc(NC(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cc1 ZINC000826385615 609455998 /nfs/dbraw/zinc/45/59/98/609455998.db2.gz UIQHEFINFUSVGU-UHFFFAOYSA-N -1 3 385.391 2.450 20 30 GEEDHM N#Cc1ccc(NC(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cc1 ZINC000826385615 609456000 /nfs/dbraw/zinc/45/60/00/609456000.db2.gz UIQHEFINFUSVGU-UHFFFAOYSA-N -1 3 385.391 2.450 20 30 GEEDHM 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C#CCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000291174138 532897597 /nfs/dbraw/zinc/89/75/97/532897597.db2.gz DYZSEZKODTVPRL-ZDUSSCGKSA-N -1 3 379.254 2.291 20 30 GEEDHM C#CCO[N-]C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000291218024 532898363 /nfs/dbraw/zinc/89/83/63/532898363.db2.gz JDTBGYBKAIZNRS-UHFFFAOYSA-N -1 3 391.276 2.075 20 30 GEEDHM Cc1nnc(-c2cccc(C#N)c2)n1CN(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737523791 598851410 /nfs/dbraw/zinc/85/14/10/598851410.db2.gz IYTCTBCYKBAAGL-UHFFFAOYSA-N -1 3 385.435 2.395 20 30 GEEDHM Cc1nnc(-c2cccc(C#N)c2)n1CN(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737523791 598851411 /nfs/dbraw/zinc/85/14/11/598851411.db2.gz IYTCTBCYKBAAGL-UHFFFAOYSA-N -1 3 385.435 2.395 20 30 GEEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(C)Cc1ccc(C#N)cc1 ZINC000737523836 598851656 /nfs/dbraw/zinc/85/16/56/598851656.db2.gz JSBIIMXNCZEZBQ-UHFFFAOYSA-N -1 3 385.435 2.395 20 30 GEEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(C)Cc1ccc(C#N)cc1 ZINC000737523836 598851658 /nfs/dbraw/zinc/85/16/58/598851658.db2.gz JSBIIMXNCZEZBQ-UHFFFAOYSA-N -1 3 385.435 2.395 20 30 GEEDHM CCOc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(C#N)cc1F ZINC000736625329 598866962 /nfs/dbraw/zinc/86/69/62/598866962.db2.gz AUXAGSYFIOPKBX-UHFFFAOYSA-N -1 3 389.368 2.044 20 30 GEEDHM CCOc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(C#N)cc1F ZINC000736625329 598866964 /nfs/dbraw/zinc/86/69/64/598866964.db2.gz AUXAGSYFIOPKBX-UHFFFAOYSA-N -1 3 389.368 2.044 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000737723611 598868956 /nfs/dbraw/zinc/86/89/56/598868956.db2.gz YXCGPJMSBBUZNS-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000737723611 598868958 /nfs/dbraw/zinc/86/89/58/598868958.db2.gz YXCGPJMSBBUZNS-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736040145 598884842 /nfs/dbraw/zinc/88/48/42/598884842.db2.gz NKNORHDUDYJWMJ-CYBMUJFWSA-N -1 3 379.376 2.128 20 30 GEEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736040145 598884843 /nfs/dbraw/zinc/88/48/43/598884843.db2.gz NKNORHDUDYJWMJ-CYBMUJFWSA-N -1 3 379.376 2.128 20 30 GEEDHM CC(=O)N[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(C)cc1 ZINC000735474892 598916328 /nfs/dbraw/zinc/91/63/28/598916328.db2.gz MIYJCUFDZZUUHV-GOSISDBHSA-N -1 3 389.419 2.253 20 30 GEEDHM CC(=O)N[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(C)cc1 ZINC000735474892 598916330 /nfs/dbraw/zinc/91/63/30/598916330.db2.gz MIYJCUFDZZUUHV-GOSISDBHSA-N -1 3 389.419 2.253 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000735626989 598924647 /nfs/dbraw/zinc/92/46/47/598924647.db2.gz LODWHNXDDHPWJT-LBPRGKRZSA-N -1 3 397.439 2.324 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000735626989 598924649 /nfs/dbraw/zinc/92/46/49/598924649.db2.gz LODWHNXDDHPWJT-LBPRGKRZSA-N -1 3 397.439 2.324 20 30 GEEDHM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735592680 598924684 /nfs/dbraw/zinc/92/46/84/598924684.db2.gz CRZWMVAMQZFJDP-OAHLLOKOSA-N -1 3 381.440 2.104 20 30 GEEDHM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735592680 598924686 /nfs/dbraw/zinc/92/46/86/598924686.db2.gz CRZWMVAMQZFJDP-OAHLLOKOSA-N -1 3 381.440 2.104 20 30 GEEDHM COc1cccc(CO[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737132635 598925048 /nfs/dbraw/zinc/92/50/48/598925048.db2.gz OGMISBXWEFRGNX-GFCCVEGCSA-N -1 3 378.392 2.291 20 30 GEEDHM COc1cccc(CO[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737132635 598925050 /nfs/dbraw/zinc/92/50/50/598925050.db2.gz OGMISBXWEFRGNX-GFCCVEGCSA-N -1 3 378.392 2.291 20 30 GEEDHM N#Cc1ccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000737716270 598927332 /nfs/dbraw/zinc/92/73/32/598927332.db2.gz OFOLHZVEDIZCFS-UHFFFAOYSA-N -1 3 375.417 2.482 20 30 GEEDHM N#Cc1ccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000737716270 598927333 /nfs/dbraw/zinc/92/73/33/598927333.db2.gz OFOLHZVEDIZCFS-UHFFFAOYSA-N -1 3 375.417 2.482 20 30 GEEDHM CCOc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cc(C#N)ccc1C ZINC000736628272 598948139 /nfs/dbraw/zinc/94/81/39/598948139.db2.gz VMYWRTMALWBAGE-UHFFFAOYSA-N -1 3 385.405 2.213 20 30 GEEDHM CCOc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cc(C#N)ccc1C ZINC000736628272 598948141 /nfs/dbraw/zinc/94/81/41/598948141.db2.gz VMYWRTMALWBAGE-UHFFFAOYSA-N -1 3 385.405 2.213 20 30 GEEDHM Cc1cc(C#N)ccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000737231883 598996469 /nfs/dbraw/zinc/99/64/69/598996469.db2.gz TWNOAMMWLUNFHU-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(C#N)ccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000737231883 598996470 /nfs/dbraw/zinc/99/64/70/598996470.db2.gz TWNOAMMWLUNFHU-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM O=C1C(=Cc2cnc(N3CCOCC3)s2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503558 599114078 /nfs/dbraw/zinc/11/40/78/599114078.db2.gz GXFDSFBDQYDGON-JLHYYAGUSA-N -1 3 394.460 2.372 20 30 GEEDHM O=C1C(=Cc2cnc(N3CCOCC3)s2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503558 599114079 /nfs/dbraw/zinc/11/40/79/599114079.db2.gz GXFDSFBDQYDGON-JLHYYAGUSA-N -1 3 394.460 2.372 20 30 GEEDHM CS(=O)(=O)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821937420 599116474 /nfs/dbraw/zinc/11/64/74/599116474.db2.gz MLOXZDBNWHIBBX-UVTDQMKNSA-N -1 3 380.429 2.483 20 30 GEEDHM CS(=O)(=O)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821937420 599116476 /nfs/dbraw/zinc/11/64/76/599116476.db2.gz MLOXZDBNWHIBBX-UVTDQMKNSA-N -1 3 380.429 2.483 20 30 GEEDHM COC(=O)COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000736930587 599154522 /nfs/dbraw/zinc/15/45/22/599154522.db2.gz FKPQNFUQHVURTF-YCRREMRBSA-N -1 3 394.387 2.323 20 30 GEEDHM COC(=O)COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000736930587 599154524 /nfs/dbraw/zinc/15/45/24/599154524.db2.gz FKPQNFUQHVURTF-YCRREMRBSA-N -1 3 394.387 2.323 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2nnc(-c3cccc(F)c3)o2)nc1N ZINC000737703821 599163327 /nfs/dbraw/zinc/16/33/27/599163327.db2.gz FWNWJPUEGLMRPA-UHFFFAOYSA-N -1 3 395.383 2.197 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2nnc(-c3cccc(F)c3)o2)nc1N ZINC000737703821 599163328 /nfs/dbraw/zinc/16/33/28/599163328.db2.gz FWNWJPUEGLMRPA-UHFFFAOYSA-N -1 3 395.383 2.197 20 30 GEEDHM COc1ccc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)cc1SC(F)(F)F ZINC000737098875 599164316 /nfs/dbraw/zinc/16/43/16/599164316.db2.gz HBJBAPLOXYBLQQ-UHFFFAOYSA-N -1 3 396.358 2.186 20 30 GEEDHM COc1ccc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)cc1SC(F)(F)F ZINC000737098875 599164318 /nfs/dbraw/zinc/16/43/18/599164318.db2.gz HBJBAPLOXYBLQQ-UHFFFAOYSA-N -1 3 396.358 2.186 20 30 GEEDHM CC(=O)CCc1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735457734 599197322 /nfs/dbraw/zinc/19/73/22/599197322.db2.gz DGAAEKOOSVHNRA-UHFFFAOYSA-N -1 3 390.403 2.277 20 30 GEEDHM CC(=O)CCc1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735457734 599197323 /nfs/dbraw/zinc/19/73/23/599197323.db2.gz DGAAEKOOSVHNRA-UHFFFAOYSA-N -1 3 390.403 2.277 20 30 GEEDHM N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822842680 607298579 /nfs/dbraw/zinc/29/85/79/607298579.db2.gz TWWOGKMLTRDHQG-UHFFFAOYSA-N -1 3 375.392 2.486 20 30 GEEDHM N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822842680 607298580 /nfs/dbraw/zinc/29/85/80/607298580.db2.gz TWWOGKMLTRDHQG-UHFFFAOYSA-N -1 3 375.392 2.486 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819702250 599282957 /nfs/dbraw/zinc/28/29/57/599282957.db2.gz VJKJMOTXZDUYFQ-UHFFFAOYSA-N -1 3 396.382 2.218 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737719470 598297935 /nfs/dbraw/zinc/29/79/35/598297935.db2.gz UWIBDGYIXUWKJD-SFHVURJKSA-N -1 3 391.410 2.163 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737719470 598297937 /nfs/dbraw/zinc/29/79/37/598297937.db2.gz UWIBDGYIXUWKJD-SFHVURJKSA-N -1 3 391.410 2.163 20 30 GEEDHM O=S(=O)(c1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2)cc1)C(F)F ZINC000738355616 598314875 /nfs/dbraw/zinc/31/48/75/598314875.db2.gz RGNTVQPHJWUPDQ-UHFFFAOYSA-N -1 3 378.364 2.309 20 30 GEEDHM O=S(=O)(c1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2)cc1)C(F)F ZINC000738355616 598314876 /nfs/dbraw/zinc/31/48/76/598314876.db2.gz RGNTVQPHJWUPDQ-UHFFFAOYSA-N -1 3 378.364 2.309 20 30 GEEDHM N#C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)CCO1 ZINC000737677433 598362025 /nfs/dbraw/zinc/36/20/25/598362025.db2.gz COEWMEXUYZUHEH-CYBMUJFWSA-N -1 3 392.444 2.382 20 30 GEEDHM N#C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)CCO1 ZINC000737677433 598362027 /nfs/dbraw/zinc/36/20/27/598362027.db2.gz COEWMEXUYZUHEH-CYBMUJFWSA-N -1 3 392.444 2.382 20 30 GEEDHM Cc1cc(C)c(C#N)c(SC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737239380 598372871 /nfs/dbraw/zinc/37/28/71/598372871.db2.gz CRSHONRQJSAVBX-CQSZACIVSA-N -1 3 382.449 2.282 20 30 GEEDHM C#Cc1cccc(NC(=S)NNC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000735391749 598440682 /nfs/dbraw/zinc/44/06/82/598440682.db2.gz XJSGJQZXQOXUJX-UHFFFAOYSA-N -1 3 394.489 2.036 20 30 GEEDHM C#Cc1cccc(NC(=S)NNC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000735391749 598440684 /nfs/dbraw/zinc/44/06/84/598440684.db2.gz XJSGJQZXQOXUJX-UHFFFAOYSA-N -1 3 394.489 2.036 20 30 GEEDHM C=C(C)COc1cccc(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000735402190 598476067 /nfs/dbraw/zinc/47/60/67/598476067.db2.gz LOABMUJUDZPRRK-UHFFFAOYSA-N -1 3 394.439 2.450 20 30 GEEDHM C=C(C)COc1cccc(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000735402190 598476069 /nfs/dbraw/zinc/47/60/69/598476069.db2.gz LOABMUJUDZPRRK-UHFFFAOYSA-N -1 3 394.439 2.450 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000735426252 598506451 /nfs/dbraw/zinc/50/64/51/598506451.db2.gz NAWKIUQDVHNJBL-UHFFFAOYSA-N -1 3 394.460 2.256 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000735426252 598506453 /nfs/dbraw/zinc/50/64/53/598506453.db2.gz NAWKIUQDVHNJBL-UHFFFAOYSA-N -1 3 394.460 2.256 20 30 GEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000736817526 598528943 /nfs/dbraw/zinc/52/89/43/598528943.db2.gz CAOYUBLAVRILOY-UHFFFAOYSA-N -1 3 377.408 2.111 20 30 GEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000736817526 598528944 /nfs/dbraw/zinc/52/89/44/598528944.db2.gz CAOYUBLAVRILOY-UHFFFAOYSA-N -1 3 377.408 2.111 20 30 GEEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(OC(F)(F)F)cc1 ZINC000737676031 598537075 /nfs/dbraw/zinc/53/70/75/598537075.db2.gz UAHYEOVFIXAYOX-CYBMUJFWSA-N -1 3 389.297 2.155 20 30 GEEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(OC(F)(F)F)cc1 ZINC000737676031 598537077 /nfs/dbraw/zinc/53/70/77/598537077.db2.gz UAHYEOVFIXAYOX-CYBMUJFWSA-N -1 3 389.297 2.155 20 30 GEEDHM CN(C)C(=S)NN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736753774 598585024 /nfs/dbraw/zinc/58/50/24/598585024.db2.gz QLELJQUYDOELRF-UHFFFAOYSA-N -1 3 381.465 2.216 20 30 GEEDHM CN(C)C(=S)NN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736753774 598585026 /nfs/dbraw/zinc/58/50/26/598585026.db2.gz QLELJQUYDOELRF-UHFFFAOYSA-N -1 3 381.465 2.216 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735425756 598636864 /nfs/dbraw/zinc/63/68/64/598636864.db2.gz FKRUTHKBBJCIKO-UHFFFAOYSA-N -1 3 386.412 2.221 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735425756 598636865 /nfs/dbraw/zinc/63/68/65/598636865.db2.gz FKRUTHKBBJCIKO-UHFFFAOYSA-N -1 3 386.412 2.221 20 30 GEEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)c1 ZINC000735390904 598669495 /nfs/dbraw/zinc/66/94/95/598669495.db2.gz HUQFVTKCXWBKOK-UHFFFAOYSA-N -1 3 398.430 2.283 20 30 GEEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)c1 ZINC000735390904 598669497 /nfs/dbraw/zinc/66/94/97/598669497.db2.gz HUQFVTKCXWBKOK-UHFFFAOYSA-N -1 3 398.430 2.283 20 30 GEEDHM N#Cc1cccc(CNC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737722596 598697319 /nfs/dbraw/zinc/69/73/19/598697319.db2.gz KXPZRUNDHWOWGP-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM N#Cc1cccc(CNC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737722596 598697321 /nfs/dbraw/zinc/69/73/21/598697321.db2.gz KXPZRUNDHWOWGP-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735399112 598712700 /nfs/dbraw/zinc/71/27/00/598712700.db2.gz PIRYTYMJXALADG-CYBMUJFWSA-N -1 3 389.481 2.315 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735399112 598712702 /nfs/dbraw/zinc/71/27/02/598712702.db2.gz PIRYTYMJXALADG-CYBMUJFWSA-N -1 3 389.481 2.315 20 30 GEEDHM N#Cc1cccc(NC(=O)COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737730525 598715856 /nfs/dbraw/zinc/71/58/56/598715856.db2.gz MXKOGPDXBXOYHW-UHFFFAOYSA-N -1 3 394.416 2.012 20 30 GEEDHM N#Cc1cccc(NC(=O)COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737730525 598715857 /nfs/dbraw/zinc/71/58/57/598715857.db2.gz MXKOGPDXBXOYHW-UHFFFAOYSA-N -1 3 394.416 2.012 20 30 GEEDHM C=CCSCCNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735436133 598800001 /nfs/dbraw/zinc/80/00/01/598800001.db2.gz GJXICXBJYCBLRU-UHFFFAOYSA-N -1 3 388.497 2.339 20 30 GEEDHM C=CCSCCNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735436133 598800002 /nfs/dbraw/zinc/80/00/02/598800002.db2.gz GJXICXBJYCBLRU-UHFFFAOYSA-N -1 3 388.497 2.339 20 30 GEEDHM N#CCCn1ncc2c1ncnc2N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737695996 598815897 /nfs/dbraw/zinc/81/58/97/598815897.db2.gz YRMUULHKQCBSGS-UHFFFAOYSA-N -1 3 386.423 2.089 20 30 GEEDHM N#CCCn1ncc2c1ncnc2N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737695996 598815898 /nfs/dbraw/zinc/81/58/98/598815898.db2.gz YRMUULHKQCBSGS-UHFFFAOYSA-N -1 3 386.423 2.089 20 30 GEEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000819758647 599370497 /nfs/dbraw/zinc/37/04/97/599370497.db2.gz CYPAFRJSXWEFRT-UHFFFAOYSA-N -1 3 376.369 2.338 20 30 GEEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCOc1ccc(C#N)cc1 ZINC000819975964 599552077 /nfs/dbraw/zinc/55/20/77/599552077.db2.gz GHNCCPBEGLZVIB-UHFFFAOYSA-N -1 3 394.439 2.495 20 30 GEEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCOc1ccc(C#N)cc1 ZINC000819975964 599552080 /nfs/dbraw/zinc/55/20/80/599552080.db2.gz GHNCCPBEGLZVIB-UHFFFAOYSA-N -1 3 394.439 2.495 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1cn(C)nc1C ZINC000735421386 599614270 /nfs/dbraw/zinc/61/42/70/599614270.db2.gz XXHMLISYOIYNNS-CYBMUJFWSA-N -1 3 380.456 2.367 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1cn(C)nc1C ZINC000735421386 599614273 /nfs/dbraw/zinc/61/42/73/599614273.db2.gz XXHMLISYOIYNNS-CYBMUJFWSA-N -1 3 380.456 2.367 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000821737001 607410215 /nfs/dbraw/zinc/41/02/15/607410215.db2.gz QHBAQWSNENQDJE-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000821737001 607410217 /nfs/dbraw/zinc/41/02/17/607410217.db2.gz QHBAQWSNENQDJE-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM N#Cc1ccc([C@H](NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)[O-])cc1 ZINC000739107672 600595247 /nfs/dbraw/zinc/59/52/47/600595247.db2.gz SIQCDMKRPCCUFA-IBGZPJMESA-N -1 3 399.472 2.258 20 30 GEEDHM Clc1ccccc1C#CCN1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826353341 607485197 /nfs/dbraw/zinc/48/51/97/607485197.db2.gz LKZKYXYOXZYZCN-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM Clc1ccccc1C#CCN1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826353341 607485199 /nfs/dbraw/zinc/48/51/99/607485199.db2.gz LKZKYXYOXZYZCN-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM Clc1cccc(C#CCN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1 ZINC000826353620 607517763 /nfs/dbraw/zinc/51/77/63/607517763.db2.gz XCLVTFVZJZBOKS-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM Clc1cccc(C#CCN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1 ZINC000826353620 607517766 /nfs/dbraw/zinc/51/77/66/607517766.db2.gz XCLVTFVZJZBOKS-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM N#Cc1ccccc1OCC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833074944 601729817 /nfs/dbraw/zinc/72/98/17/601729817.db2.gz HASOHICFYLACRP-JOCHJYFZSA-N -1 3 393.443 2.173 20 30 GEEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000739606646 602160009 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GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCn2ccnc21 ZINC000823909560 607622681 /nfs/dbraw/zinc/62/26/81/607622681.db2.gz JBNWMSHYKNATGG-QGZVFWFLSA-N -1 3 392.467 2.338 20 30 GEEDHM Cc1cccc(S(=O)(=O)Oc2cc(Cl)ccc2C#N)c1-c1nnn[n-]1 ZINC000826303902 607672520 /nfs/dbraw/zinc/67/25/20/607672520.db2.gz LRJLGIKMSWIULO-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000826383233 607675582 /nfs/dbraw/zinc/67/55/82/607675582.db2.gz QLRGSKBFBTVAJT-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000826383233 607675584 /nfs/dbraw/zinc/67/55/84/607675584.db2.gz QLRGSKBFBTVAJT-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#CCC[C@@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000826381449 607712274 /nfs/dbraw/zinc/71/22/74/607712274.db2.gz MEKUEJQSKJBEDL-MRXNPFEDSA-N -1 3 391.439 2.018 20 30 GEEDHM N#CCC[C@@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000826381449 607712275 /nfs/dbraw/zinc/71/22/75/607712275.db2.gz MEKUEJQSKJBEDL-MRXNPFEDSA-N -1 3 391.439 2.018 20 30 GEEDHM Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000826295162 607718289 /nfs/dbraw/zinc/71/82/89/607718289.db2.gz UHPKVLVLBNOHGA-UHFFFAOYSA-N -1 3 382.387 2.058 20 30 GEEDHM Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000826295162 607718290 /nfs/dbraw/zinc/71/82/90/607718290.db2.gz UHPKVLVLBNOHGA-UHFFFAOYSA-N -1 3 382.387 2.058 20 30 GEEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000833419627 604862686 /nfs/dbraw/zinc/86/26/86/604862686.db2.gz IHANWZSWCQVVNB-QGZVFWFLSA-N -1 3 398.463 2.103 20 30 GEEDHM CCOC(=O)Nc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000825530815 607761038 /nfs/dbraw/zinc/76/10/38/607761038.db2.gz FXUOUIILLZKGRC-UHFFFAOYSA-N -1 3 391.391 2.488 20 30 GEEDHM CCOC(=O)Nc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000825530815 607761039 /nfs/dbraw/zinc/76/10/39/607761039.db2.gz FXUOUIILLZKGRC-UHFFFAOYSA-N -1 3 391.391 2.488 20 30 GEEDHM C=C(C)COc1cc(CN2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])ccc1OC ZINC000833369272 605727261 /nfs/dbraw/zinc/72/72/61/605727261.db2.gz NWWGHLJUZQYQQK-HZPDHXFCSA-N -1 3 377.437 2.488 20 30 GEEDHM COCCCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000821688456 606127685 /nfs/dbraw/zinc/12/76/85/606127685.db2.gz LKEZOOVXYFCSPL-UHFFFAOYSA-N -1 3 378.392 2.406 20 30 GEEDHM COCCCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000821688456 606127686 /nfs/dbraw/zinc/12/76/86/606127686.db2.gz LKEZOOVXYFCSPL-UHFFFAOYSA-N -1 3 378.392 2.406 20 30 GEEDHM N#Cc1c[nH]c(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)c1 ZINC000822818595 606251553 /nfs/dbraw/zinc/25/15/53/606251553.db2.gz CYQULUUNOPJLHK-UHFFFAOYSA-N -1 3 376.405 2.366 20 30 GEEDHM N#Cc1c[nH]c(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)c1 ZINC000822818595 606251554 /nfs/dbraw/zinc/25/15/54/606251554.db2.gz CYQULUUNOPJLHK-UHFFFAOYSA-N -1 3 376.405 2.366 20 30 GEEDHM COC(=O)[C@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000821646544 606367792 /nfs/dbraw/zinc/36/77/92/606367792.db2.gz JXMOURISZXGRGP-QZEKMECESA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000821646544 606367793 /nfs/dbraw/zinc/36/77/93/606367793.db2.gz JXMOURISZXGRGP-QZEKMECESA-N -1 3 389.371 2.209 20 30 GEEDHM CN=c1scc(-c2ccc(O)c(O)c2)n1N=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821630467 606399358 /nfs/dbraw/zinc/39/93/58/606399358.db2.gz YYBWZJUBAHMLIZ-UHFFFAOYSA-N -1 3 399.461 2.282 20 30 GEEDHM N#Cc1csc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000822842310 606508292 /nfs/dbraw/zinc/50/82/92/606508292.db2.gz BIMDTAWTPJASBO-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM N#Cc1csc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000822842310 606508293 /nfs/dbraw/zinc/50/82/93/606508293.db2.gz BIMDTAWTPJASBO-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820842933 606562894 /nfs/dbraw/zinc/56/28/94/606562894.db2.gz RHGISCCPLVTQIA-KRWDZBQOSA-N -1 3 376.420 2.407 20 30 GEEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820842933 606562895 /nfs/dbraw/zinc/56/28/95/606562895.db2.gz RHGISCCPLVTQIA-KRWDZBQOSA-N -1 3 376.420 2.407 20 30 GEEDHM N#CCCN(CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccn1 ZINC000822810452 606622113 /nfs/dbraw/zinc/62/21/13/606622113.db2.gz IOLURSOEFFUOKS-UHFFFAOYSA-N -1 3 376.424 2.006 20 30 GEEDHM N#CCCN(CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccccn1 ZINC000822810452 606622115 /nfs/dbraw/zinc/62/21/15/606622115.db2.gz IOLURSOEFFUOKS-UHFFFAOYSA-N -1 3 376.424 2.006 20 30 GEEDHM CC(C)C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)N1CCCCC1=O ZINC000820050638 606680677 /nfs/dbraw/zinc/68/06/77/606680677.db2.gz DLWOJOKWONQQHW-MRXNPFEDSA-N -1 3 381.440 2.104 20 30 GEEDHM CC(C)C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)N1CCCCC1=O ZINC000820050638 606680678 /nfs/dbraw/zinc/68/06/78/606680678.db2.gz DLWOJOKWONQQHW-MRXNPFEDSA-N -1 3 381.440 2.104 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CSCCS1 ZINC000819744052 606719572 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392.419 2.104 20 30 GEEDHM Cc1ccc(C#N)cc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822225329 606793608 /nfs/dbraw/zinc/79/36/08/606793608.db2.gz YSSNHMSSNQNCOK-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(C#N)cc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822225329 606793610 /nfs/dbraw/zinc/79/36/10/606793610.db2.gz YSSNHMSSNQNCOK-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM C#CCOCCOC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819701477 606823462 /nfs/dbraw/zinc/82/34/62/606823462.db2.gz IXBOVJYNGYNVOI-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM C#CCOCCOC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819701477 606823463 /nfs/dbraw/zinc/82/34/63/606823463.db2.gz IXBOVJYNGYNVOI-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000822135965 606894411 /nfs/dbraw/zinc/89/44/11/606894411.db2.gz HLUSFBNXLQCCAN-UHFFFAOYSA-N -1 3 391.359 2.401 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000822135965 606894412 /nfs/dbraw/zinc/89/44/12/606894412.db2.gz HLUSFBNXLQCCAN-UHFFFAOYSA-N -1 3 391.359 2.401 20 30 GEEDHM N#Cc1ccccc1OCC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822842774 606942027 /nfs/dbraw/zinc/94/20/27/606942027.db2.gz YDFPOMMNDOXEKY-UHFFFAOYSA-N -1 3 379.376 2.129 20 30 GEEDHM N#Cc1ccccc1OCC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822842774 606942028 /nfs/dbraw/zinc/94/20/28/606942028.db2.gz YDFPOMMNDOXEKY-UHFFFAOYSA-N -1 3 379.376 2.129 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)Nc1cc(CC#N)ccn1 ZINC000821701698 606944753 /nfs/dbraw/zinc/94/47/53/606944753.db2.gz ZIPIJLMXKRZJIV-UHFFFAOYSA-N -1 3 393.407 2.134 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)Nc1cc(CC#N)ccn1 ZINC000821701698 606944754 /nfs/dbraw/zinc/94/47/54/606944754.db2.gz ZIPIJLMXKRZJIV-UHFFFAOYSA-N -1 3 393.407 2.134 20 30 GEEDHM N#CCOc1ccccc1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822813975 606947115 /nfs/dbraw/zinc/94/71/15/606947115.db2.gz ALWLSPVNTMXOJH-UHFFFAOYSA-N -1 3 379.376 2.395 20 30 GEEDHM N#CCOc1ccccc1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822813975 606947116 /nfs/dbraw/zinc/94/71/16/606947116.db2.gz ALWLSPVNTMXOJH-UHFFFAOYSA-N -1 3 379.376 2.395 20 30 GEEDHM COC(=O)C[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821657063 606951794 /nfs/dbraw/zinc/95/17/94/606951794.db2.gz GSXGOGOKHGPUCN-GWCFXTLKSA-N -1 3 396.432 2.366 20 30 GEEDHM COC(=O)C[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821657063 606951796 /nfs/dbraw/zinc/95/17/96/606951796.db2.gz GSXGOGOKHGPUCN-GWCFXTLKSA-N -1 3 396.432 2.366 20 30 GEEDHM N#Cc1cc(CN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)ccc1F ZINC000822819121 606964415 /nfs/dbraw/zinc/96/44/15/606964415.db2.gz LBCUDNUBCWOCGK-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1cc(CN2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)ccc1F ZINC000822819121 606964417 /nfs/dbraw/zinc/96/44/17/606964417.db2.gz LBCUDNUBCWOCGK-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM C#CCCCCNC(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819693332 606988243 /nfs/dbraw/zinc/98/82/43/606988243.db2.gz QGEIYUPQZCXUTE-UHFFFAOYSA-N -1 3 395.467 2.030 20 30 GEEDHM C#CCCCCNC(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819693332 606988245 /nfs/dbraw/zinc/98/82/45/606988245.db2.gz QGEIYUPQZCXUTE-UHFFFAOYSA-N -1 3 395.467 2.030 20 30 GEEDHM CCN(C[C@@H](C)C#N)C(=O)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000821169704 607041359 /nfs/dbraw/zinc/04/13/59/607041359.db2.gz BEZWLAAXGRSVSV-JTQLQIEISA-N -1 3 393.245 2.016 20 30 GEEDHM CCN(C[C@@H](C)C#N)C(=O)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000821169704 607041361 /nfs/dbraw/zinc/04/13/61/607041361.db2.gz BEZWLAAXGRSVSV-JTQLQIEISA-N -1 3 393.245 2.016 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000822222322 607050859 /nfs/dbraw/zinc/05/08/59/607050859.db2.gz CLLLYGBDDPMCPP-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000822222322 607050860 /nfs/dbraw/zinc/05/08/60/607050860.db2.gz CLLLYGBDDPMCPP-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM C[C@H](OC(=O)C1(C#N)CC(C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820643144 607112764 /nfs/dbraw/zinc/11/27/64/607112764.db2.gz QTXQRKXCZRYQME-SGMNGZOCSA-N -1 3 388.815 2.330 20 30 GEEDHM C[C@H](OC(=O)C1(C#N)CC(C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820643144 607112765 /nfs/dbraw/zinc/11/27/65/607112765.db2.gz QTXQRKXCZRYQME-SGMNGZOCSA-N -1 3 388.815 2.330 20 30 GEEDHM COc1ccc(NC(=S)NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cn1 ZINC000821835567 607148950 /nfs/dbraw/zinc/14/89/50/607148950.db2.gz MRSCOOWJYBLKSO-UHFFFAOYSA-N -1 3 393.436 2.072 20 30 GEEDHM COc1ccc(NC(=S)NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cn1 ZINC000821835567 607148952 /nfs/dbraw/zinc/14/89/52/607148952.db2.gz MRSCOOWJYBLKSO-UHFFFAOYSA-N -1 3 393.436 2.072 20 30 GEEDHM Cc1ccccc1NC(=O)CCSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000822362385 607160352 /nfs/dbraw/zinc/16/03/52/607160352.db2.gz QYVAHGSGEFJURG-UHFFFAOYSA-N -1 3 380.437 2.145 20 30 GEEDHM Cc1ccccc1NC(=O)CCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000822362385 607160354 /nfs/dbraw/zinc/16/03/54/607160354.db2.gz QYVAHGSGEFJURG-UHFFFAOYSA-N -1 3 380.437 2.145 20 30 GEEDHM C=CCCOCC(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000819740092 607240294 /nfs/dbraw/zinc/24/02/94/607240294.db2.gz ODODFWHZNOSADZ-UHFFFAOYSA-N -1 3 383.202 2.136 20 30 GEEDHM C=CCCOCC(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000819740092 607240295 /nfs/dbraw/zinc/24/02/95/607240295.db2.gz ODODFWHZNOSADZ-UHFFFAOYSA-N -1 3 383.202 2.136 20 30 GEEDHM C=CCCCN(C)C(=O)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823894108 607773421 /nfs/dbraw/zinc/77/34/21/607773421.db2.gz HPICMCKEUGSKCG-UHFFFAOYSA-N -1 3 397.464 2.353 20 30 GEEDHM C=CCCCN(C)C(=O)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823894108 607773422 /nfs/dbraw/zinc/77/34/22/607773422.db2.gz HPICMCKEUGSKCG-UHFFFAOYSA-N -1 3 397.464 2.353 20 30 GEEDHM C=C(C)[C@H](CC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1)OCC ZINC000823874844 607882650 /nfs/dbraw/zinc/88/26/50/607882650.db2.gz ZIMFDVZDKFFPCO-SFHVURJKSA-N -1 3 384.484 2.277 20 30 GEEDHM C=C(C)[C@H](CC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1)OCC ZINC000823874844 607882651 /nfs/dbraw/zinc/88/26/51/607882651.db2.gz ZIMFDVZDKFFPCO-SFHVURJKSA-N -1 3 384.484 2.277 20 30 GEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826383352 607933560 /nfs/dbraw/zinc/93/35/60/607933560.db2.gz WPRDJFQRJVQCMU-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826383352 607933561 /nfs/dbraw/zinc/93/35/61/607933561.db2.gz WPRDJFQRJVQCMU-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826116917 607978800 /nfs/dbraw/zinc/97/88/00/607978800.db2.gz FKNULQHBXBNNBH-MRXNPFEDSA-N -1 3 377.360 2.004 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826116917 607978801 /nfs/dbraw/zinc/97/88/01/607978801.db2.gz FKNULQHBXBNNBH-MRXNPFEDSA-N -1 3 377.360 2.004 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(-n2ccnn2)cc1 ZINC000823915080 608026768 /nfs/dbraw/zinc/02/67/68/608026768.db2.gz RUZPONRMOVXJFQ-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(-n2ccnn2)cc1 ZINC000823915080 608026769 /nfs/dbraw/zinc/02/67/69/608026769.db2.gz RUZPONRMOVXJFQ-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM N#Cc1cccc([C@H]2CN(CCOc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826386911 608066959 /nfs/dbraw/zinc/06/69/59/608066959.db2.gz YEHHMNJCCNIYOX-LJQANCHMSA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000826386787 608089530 /nfs/dbraw/zinc/08/95/30/608089530.db2.gz SRFZHLFQPMUARL-QWUACUGRSA-N -1 3 386.415 2.352 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC000826386787 608089531 /nfs/dbraw/zinc/08/95/31/608089531.db2.gz SRFZHLFQPMUARL-QWUACUGRSA-N -1 3 386.415 2.352 20 30 GEEDHM COCCOc1ccc(C#N)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826162944 608139305 /nfs/dbraw/zinc/13/93/05/608139305.db2.gz ZJZGMJBOZNJRCN-UHFFFAOYSA-N -1 3 392.419 2.335 20 30 GEEDHM COCCOc1ccc(C#N)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826162944 608139306 /nfs/dbraw/zinc/13/93/06/608139306.db2.gz ZJZGMJBOZNJRCN-UHFFFAOYSA-N -1 3 392.419 2.335 20 30 GEEDHM N#Cc1cc2c(nc1N1CCN(c3ccccc3-c3nnn[n-]3)CC1)CCCC2 ZINC000826384528 608282386 /nfs/dbraw/zinc/28/23/86/608282386.db2.gz YVJUNDQYBBQLPP-UHFFFAOYSA-N -1 3 386.463 2.339 20 30 GEEDHM N#Cc1cc2c(nc1N1CCN(c3ccccc3-c3nn[n-]n3)CC1)CCCC2 ZINC000826384528 608282387 /nfs/dbraw/zinc/28/23/87/608282387.db2.gz YVJUNDQYBBQLPP-UHFFFAOYSA-N -1 3 386.463 2.339 20 30 GEEDHM N#Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1-c1nnn[n-]1 ZINC000826384324 608308587 /nfs/dbraw/zinc/30/85/87/608308587.db2.gz QTXVFUWHEFHTTA-UHFFFAOYSA-N -1 3 386.331 2.447 20 30 GEEDHM N#Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)ccc1-c1nn[n-]n1 ZINC000826384324 608308589 /nfs/dbraw/zinc/30/85/89/608308589.db2.gz QTXVFUWHEFHTTA-UHFFFAOYSA-N -1 3 386.331 2.447 20 30 GEEDHM COCCN(Cc1ccc(C#N)cc1)Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000826158853 608356219 /nfs/dbraw/zinc/35/62/19/608356219.db2.gz FYTWGQONMZIWCR-UHFFFAOYSA-N -1 3 378.436 2.396 20 30 GEEDHM N#Cc1cccc(CN2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)c1F ZINC000826386657 608385347 /nfs/dbraw/zinc/38/53/47/608385347.db2.gz NLHRPVDCRFUPEY-UHFFFAOYSA-N -1 3 395.417 2.334 20 30 GEEDHM N#Cc1cccc(CN2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)c1F ZINC000826386657 608385350 /nfs/dbraw/zinc/38/53/50/608385350.db2.gz NLHRPVDCRFUPEY-UHFFFAOYSA-N -1 3 395.417 2.334 20 30 GEEDHM C=CC[C@@H](CO)CNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000823888844 608411484 /nfs/dbraw/zinc/41/14/84/608411484.db2.gz YODOIBAUWLZALU-SNVBAGLBSA-N -1 3 376.367 2.035 20 30 GEEDHM C=CC[C@@H](CO)CNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000823888844 608411486 /nfs/dbraw/zinc/41/14/86/608411486.db2.gz YODOIBAUWLZALU-SNVBAGLBSA-N -1 3 376.367 2.035 20 30 GEEDHM C=CCOc1cccnc1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000823932076 608457060 /nfs/dbraw/zinc/45/70/60/608457060.db2.gz NDGGEAMLULUNDJ-GFCCVEGCSA-N -1 3 394.391 2.011 20 30 GEEDHM C=CCOc1cccnc1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000823932076 608457063 /nfs/dbraw/zinc/45/70/63/608457063.db2.gz NDGGEAMLULUNDJ-GFCCVEGCSA-N -1 3 394.391 2.011 20 30 GEEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824040482 608465232 /nfs/dbraw/zinc/46/52/32/608465232.db2.gz QNTYWORCEVAWIO-YCRPNKLZSA-N -1 3 393.495 2.399 20 30 GEEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824040475 608465511 /nfs/dbraw/zinc/46/55/11/608465511.db2.gz QNTYWORCEVAWIO-BTYIYWSLSA-N -1 3 393.495 2.399 20 30 GEEDHM N#Cc1ccc(C2=CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384927 608486879 /nfs/dbraw/zinc/48/68/79/608486879.db2.gz PIJZKGZHMQPKQL-UHFFFAOYSA-N -1 3 386.415 2.433 20 30 GEEDHM Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826334108 608534964 /nfs/dbraw/zinc/53/49/64/608534964.db2.gz IEOVXYQRKCNYMP-UHFFFAOYSA-N -1 3 382.428 2.078 20 30 GEEDHM Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826334108 608534966 /nfs/dbraw/zinc/53/49/66/608534966.db2.gz IEOVXYQRKCNYMP-UHFFFAOYSA-N -1 3 382.428 2.078 20 30 GEEDHM C=CC[C@H](CO)CNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823888802 608561394 /nfs/dbraw/zinc/56/13/94/608561394.db2.gz XFJNWXTZGOPCEO-INIZCTEOSA-N -1 3 393.447 2.360 20 30 GEEDHM C=CC[C@H](CO)CNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823888802 608561395 /nfs/dbraw/zinc/56/13/95/608561395.db2.gz XFJNWXTZGOPCEO-INIZCTEOSA-N -1 3 393.447 2.360 20 30 GEEDHM N#Cc1ccc(N2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)c(F)c1 ZINC000826385364 608649348 /nfs/dbraw/zinc/64/93/48/608649348.db2.gz IYFROZWYVHLVPQ-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1ccc(N2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)c(F)c1 ZINC000826385364 608649350 /nfs/dbraw/zinc/64/93/50/608649350.db2.gz IYFROZWYVHLVPQ-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826379859 609141571 /nfs/dbraw/zinc/14/15/71/609141571.db2.gz FKBIHJSSPZUGMO-LJQANCHMSA-N -1 3 377.427 2.388 20 30 GEEDHM CCNc1ccc(C#N)cc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825480657 609177805 /nfs/dbraw/zinc/17/78/05/609177805.db2.gz FJGQYZWRQWOGCH-KRWDZBQOSA-N -1 3 388.435 2.388 20 30 GEEDHM CCNc1ccc(C#N)cc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825480657 609177807 /nfs/dbraw/zinc/17/78/07/609177807.db2.gz FJGQYZWRQWOGCH-KRWDZBQOSA-N -1 3 388.435 2.388 20 30 GEEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825323311 609194485 /nfs/dbraw/zinc/19/44/85/609194485.db2.gz SJDZDYGUWKSCGL-SFHVURJKSA-N -1 3 376.420 2.211 20 30 GEEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825323311 609194487 /nfs/dbraw/zinc/19/44/87/609194487.db2.gz SJDZDYGUWKSCGL-SFHVURJKSA-N -1 3 376.420 2.211 20 30 GEEDHM Cc1cc(C(=O)N(CCC#N)CC(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257594 609213718 /nfs/dbraw/zinc/21/37/18/609213718.db2.gz IOIMIZZIDNMGEM-UHFFFAOYSA-N -1 3 378.440 2.373 20 30 GEEDHM Cc1cc(C(=O)N(CCC#N)CC(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257594 609213719 /nfs/dbraw/zinc/21/37/19/609213719.db2.gz IOIMIZZIDNMGEM-UHFFFAOYSA-N -1 3 378.440 2.373 20 30 GEEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000824292830 609214671 /nfs/dbraw/zinc/21/46/71/609214671.db2.gz AXOWTHARUMAADX-SFHVURJKSA-N -1 3 376.420 2.209 20 30 GEEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000824292830 609214672 /nfs/dbraw/zinc/21/46/72/609214672.db2.gz AXOWTHARUMAADX-SFHVURJKSA-N -1 3 376.420 2.209 20 30 GEEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)Cc1ccccc1CC#N ZINC000825793115 609238585 /nfs/dbraw/zinc/23/85/85/609238585.db2.gz NCPHETHXNFIOPM-UHFFFAOYSA-N -1 3 386.419 2.484 20 30 GEEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)Cc1ccccc1CC#N ZINC000825793115 609238587 /nfs/dbraw/zinc/23/85/87/609238587.db2.gz NCPHETHXNFIOPM-UHFFFAOYSA-N -1 3 386.419 2.484 20 30 GEEDHM N#CC1(c2ccc(C(=O)OCC(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000826379786 609246586 /nfs/dbraw/zinc/24/65/86/609246586.db2.gz BMKURDLMIRWSKQ-UHFFFAOYSA-N -1 3 388.387 2.217 20 30 GEEDHM N#CC1(c2ccc(C(=O)OCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000826379786 609246588 /nfs/dbraw/zinc/24/65/88/609246588.db2.gz BMKURDLMIRWSKQ-UHFFFAOYSA-N -1 3 388.387 2.217 20 30 GEEDHM C=CCNC(=O)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823919520 609268866 /nfs/dbraw/zinc/26/88/66/609268866.db2.gz KCGCLDGWQNYMEI-UHFFFAOYSA-N -1 3 393.407 2.083 20 30 GEEDHM C=CCNC(=O)CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823919520 609268868 /nfs/dbraw/zinc/26/88/68/609268868.db2.gz KCGCLDGWQNYMEI-UHFFFAOYSA-N -1 3 393.407 2.083 20 30 GEEDHM Cc1nnc(SCC(=O)N(C)C2(C#N)CCCCC2)c(-c2nnn[n-]2)c1C ZINC000826336625 609306932 /nfs/dbraw/zinc/30/69/32/609306932.db2.gz GSLFMIRCNPMFMC-UHFFFAOYSA-N -1 3 386.485 2.051 20 30 GEEDHM Cc1nnc(SCC(=O)N(C)C2(C#N)CCCCC2)c(-c2nn[n-]n2)c1C ZINC000826336625 609306935 /nfs/dbraw/zinc/30/69/35/609306935.db2.gz GSLFMIRCNPMFMC-UHFFFAOYSA-N -1 3 386.485 2.051 20 30 GEEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)Nc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000826386567 609456111 /nfs/dbraw/zinc/45/61/11/609456111.db2.gz JWTFNSKKXFFFJE-UHFFFAOYSA-N -1 3 385.391 2.450 20 30 GEEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)Nc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000826386567 609456113 /nfs/dbraw/zinc/45/61/13/609456113.db2.gz JWTFNSKKXFFFJE-UHFFFAOYSA-N -1 3 385.391 2.450 20 30 GEEDHM CC(C)(C)OC(=O)CCCCSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000824098847 609485011 /nfs/dbraw/zinc/48/50/11/609485011.db2.gz BHAAUFQNRVNDCX-UHFFFAOYSA-N -1 3 375.458 2.320 20 30 GEEDHM CC(C)(C)OC(=O)CCCCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000824098847 609485015 /nfs/dbraw/zinc/48/50/15/609485015.db2.gz BHAAUFQNRVNDCX-UHFFFAOYSA-N -1 3 375.458 2.320 20 30 GEEDHM Cc1cc(C(=O)NCC#Cc2ccccc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259269 609517839 /nfs/dbraw/zinc/51/78/39/609517839.db2.gz NAPIFQUYMAIDJY-UHFFFAOYSA-N -1 3 383.415 2.142 20 30 GEEDHM Cc1cc(C(=O)NCC#Cc2ccccc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259269 609517840 /nfs/dbraw/zinc/51/78/40/609517840.db2.gz NAPIFQUYMAIDJY-UHFFFAOYSA-N -1 3 383.415 2.142 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(C#N)c1 ZINC000824641774 609552877 /nfs/dbraw/zinc/55/28/77/609552877.db2.gz YVVDKIKRMRUPNU-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(C#N)c1 ZINC000824641774 609552879 /nfs/dbraw/zinc/55/28/79/609552879.db2.gz YVVDKIKRMRUPNU-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000824098813 609590593 /nfs/dbraw/zinc/59/05/93/609590593.db2.gz ABWMMYOGFOQESX-SFHVURJKSA-N -1 3 389.387 2.311 20 30 GEEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000824098813 609590595 /nfs/dbraw/zinc/59/05/95/609590595.db2.gz ABWMMYOGFOQESX-SFHVURJKSA-N -1 3 389.387 2.311 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000531754661 650744086 /nfs/dbraw/zinc/74/40/86/650744086.db2.gz FAKWLLYFISFPHI-SNVBAGLBSA-N -1 3 379.825 2.223 20 30 GEEDHM C#CCNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000024587589 642419018 /nfs/dbraw/zinc/41/90/18/642419018.db2.gz SRLAOQZLYVUFKX-LBPRGKRZSA-N -1 3 395.333 2.143 20 30 GEEDHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2F)cc1F ZINC000493240480 650793503 /nfs/dbraw/zinc/79/35/03/650793503.db2.gz WHSSVNNIULNLEJ-UHFFFAOYSA-N -1 3 387.389 2.009 20 30 GEEDHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)C[C@H](C)C#N)cc1F ZINC000537645758 650819508 /nfs/dbraw/zinc/81/95/08/650819508.db2.gz PLUUKNBZGLIZOT-GFCCVEGCSA-N -1 3 391.490 2.148 20 30 GEEDHM COC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(OC(F)F)cc1 ZINC000538121336 650830418 /nfs/dbraw/zinc/83/04/18/650830418.db2.gz LFIWEJIQAGNNAW-ZDUSSCGKSA-N -1 3 376.381 2.115 20 30 GEEDHM C=CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000120274300 643597048 /nfs/dbraw/zinc/59/70/48/643597048.db2.gz BDZQKWYSLMHJEC-UHFFFAOYSA-N -1 3 380.491 2.483 20 30 GEEDHM N#CCNC(=O)c1cc(S(=O)(=O)[N-]Cc2ccccn2)c(Cl)cc1Cl ZINC000126705540 643743611 /nfs/dbraw/zinc/74/36/11/643743611.db2.gz ADNMDRHOIROOAX-UHFFFAOYSA-N -1 3 399.259 2.120 20 30 GEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2nc(C)c(C)s2)ccc1F ZINC000175339923 644389343 /nfs/dbraw/zinc/38/93/43/644389343.db2.gz VDQXTPSJKZTSKE-UHFFFAOYSA-N -1 3 383.470 2.293 20 30 GEEDHM Cc1ncc(S(=O)(=O)[N-]C2CCC(Oc3ccc(C#N)cn3)CC2)s1 ZINC000271072177 646170521 /nfs/dbraw/zinc/17/05/21/646170521.db2.gz OJJKHMKUXKMAJD-UHFFFAOYSA-N -1 3 378.479 2.387 20 30 GEEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H](O)C(F)F ZINC000295742752 647238869 /nfs/dbraw/zinc/23/88/69/647238869.db2.gz NOFDQZAQBJYUML-KOLCDFICSA-N -1 3 383.214 2.004 20 30 GEEDHM C#CCCCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000376294103 647842651 /nfs/dbraw/zinc/84/26/51/647842651.db2.gz QTFJDZNFLSNFKT-UHFFFAOYSA-N -1 3 384.885 2.439 20 30 GEEDHM CC(C)c1nc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)n[nH]1 ZINC000416491852 648146961 /nfs/dbraw/zinc/14/69/61/648146961.db2.gz AGUTWFYWQZXUNQ-UHFFFAOYSA-N -1 3 384.259 2.041 20 30 GEEDHM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3cc(C#N)ccc3Cl)cc2C1=O ZINC000437945151 648802600 /nfs/dbraw/zinc/80/26/00/648802600.db2.gz BZDOYGVLIDXOHN-UHFFFAOYSA-N -1 3 375.793 2.238 20 30 GEEDHM C=CCCC[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000441083742 648819380 /nfs/dbraw/zinc/81/93/80/648819380.db2.gz GZAKZJSMVLFNPO-GFCCVEGCSA-N -1 3 375.441 2.287 20 30 GEEDHM C=CCN(C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000442599125 648844885 /nfs/dbraw/zinc/84/48/85/648844885.db2.gz OWROGTOSJTUVNA-UHFFFAOYSA-N -1 3 375.853 2.117 20 30 GEEDHM Cc1nnc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C#N)c1C ZINC000557662272 651271736 /nfs/dbraw/zinc/27/17/36/651271736.db2.gz JITMHHQPVZRHHW-UHFFFAOYSA-N -1 3 383.836 2.148 20 30 GEEDHM N#C[C@@]1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCSC1 ZINC000609576877 651623939 /nfs/dbraw/zinc/62/39/39/651623939.db2.gz HGZDHOPATFVIFR-HNNXBMFYSA-N -1 3 378.251 2.420 20 30 GEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCSC ZINC000736224863 651815145 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C[C@@H](CC(=O)OCC(Cl)(Cl)Cl)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000763016835 652732706 /nfs/dbraw/zinc/73/27/06/652732706.db2.gz GOASJIFHSZWPNK-QMMMGPOBSA-N -1 3 399.683 2.417 20 30 GEEDHM C#C[C@H](CCC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000770391003 653211275 /nfs/dbraw/zinc/21/12/75/653211275.db2.gz QEOWYCOGKGXBJF-GFCCVEGCSA-N -1 3 376.475 2.058 20 30 GEEDHM C[C@H](CC(=O)OCCSC(F)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000770946552 653228816 /nfs/dbraw/zinc/22/88/16/653228816.db2.gz ZGABGTWFXOLNDE-SECBINFHSA-N -1 3 396.412 2.300 20 30 GEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(F)(F)F)ccc1F ZINC000875927897 653397328 /nfs/dbraw/zinc/39/73/28/653397328.db2.gz QDRHISIDEFMCRZ-ZDUSSCGKSA-N -1 3 380.363 2.457 20 30 GEEDHM N#Cc1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)nc1 ZINC000813707388 653611645 /nfs/dbraw/zinc/61/16/45/653611645.db2.gz IXMSRYQNRIBVNC-UHFFFAOYSA-N -1 3 383.205 2.487 20 30 GEEDHM C[C@@H](CC(=O)NCC(C)(C)CCC#N)[N-]S(=O)(=O)c1cccnc1Cl ZINC000813705066 653611749 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O=C(N[C@H]1CCCN([O-])C1=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC000820476814 653775361 /nfs/dbraw/zinc/77/53/61/653775361.db2.gz QCVMFKIWPAHQRG-LBPRGKRZSA-N -1 3 377.491 2.438 20 30 GEEDHM Cc1nn(-c2cccc(Br)c2)cc1CN[C@H]1CCCN([O-])C1=O ZINC000895156301 653820771 /nfs/dbraw/zinc/82/07/71/653820771.db2.gz BMCMJHSTPDNJNI-HNNXBMFYSA-N -1 3 379.258 2.413 20 30 GEEDHM Cc1nn(-c2cccc(Br)c2)cc1CN[C@@H]1CCCN([O-])C1=O ZINC000895156306 653820801 /nfs/dbraw/zinc/82/08/01/653820801.db2.gz BMCMJHSTPDNJNI-OAHLLOKOSA-N -1 3 379.258 2.413 20 30 GEEDHM CCOCCOc1ccc(Br)cc1CN[C@@H]1CCCN([O-])C1=O ZINC000895167176 653821564 /nfs/dbraw/zinc/82/15/64/653821564.db2.gz VGAICEJUEZGMHJ-CQSZACIVSA-N -1 3 387.274 2.334 20 30 GEEDHM C[C@H](CC(=O)OCc1csc(Cl)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000793237010 653871885 /nfs/dbraw/zinc/87/18/85/653871885.db2.gz OVHQILSNEFPWBA-SECBINFHSA-N -1 3 399.881 2.357 20 30 GEEDHM COCC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848137154 653960368 /nfs/dbraw/zinc/96/03/68/653960368.db2.gz ZPOVYFBNKILWJN-UKRRQHHQSA-N -1 3 399.285 2.141 20 30 GEEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)nn1-c1ccc(Br)cc1 ZINC000848135809 653960513 /nfs/dbraw/zinc/96/05/13/653960513.db2.gz HUVCOLKLLSDQQV-ZDUSSCGKSA-N -1 3 393.241 2.053 20 30 GEEDHM CCc1cc(C(=O)[N-]n2c(C)c(Br)c(C)c(C#N)c2=O)c(C)nn1 ZINC000848376372 653973681 /nfs/dbraw/zinc/97/36/81/653973681.db2.gz TZJAXPJACDZQQV-UHFFFAOYSA-N -1 3 390.241 2.144 20 30 GEEDHM C=CCC1([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)CCOCC1 ZINC000849451162 654038594 /nfs/dbraw/zinc/03/85/94/654038594.db2.gz RPLUKYZKOFZAHY-UHFFFAOYSA-N -1 3 375.393 2.155 20 30 GEEDHM C=CCOCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000849459678 654040609 /nfs/dbraw/zinc/04/06/09/654040609.db2.gz XYEHFEFUFIVMHP-UHFFFAOYSA-N -1 3 379.232 2.228 20 30 GEEDHM C[C@@]1(C#N)CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCO1 ZINC000887676486 654044775 /nfs/dbraw/zinc/04/47/75/654044775.db2.gz DZNZYROQDGPUFY-MRXNPFEDSA-N -1 3 376.210 2.045 20 30 GEEDHM CC(C)(C#N)CS(=O)(=O)[N-]CC(=O)c1ccc(Br)c(F)c1 ZINC000918488767 654152986 /nfs/dbraw/zinc/15/29/86/654152986.db2.gz GGRYVUBOFWHFNU-UHFFFAOYSA-N -1 3 377.235 2.240 20 30 GEEDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C#N)c(Cl)c2)c1 ZINC000801524677 654199950 /nfs/dbraw/zinc/19/99/50/654199950.db2.gz XQLGMGHVYXNYCT-UHFFFAOYSA-N -1 3 379.825 2.219 20 30 GEEDHM CN(C)c1ncc(C[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)n1C ZINC000906943451 654490744 /nfs/dbraw/zinc/49/07/44/654490744.db2.gz BYKNNVPFHGIHHR-UHFFFAOYSA-N -1 3 375.479 2.051 20 30 GEEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(I)s1 ZINC000907253806 654524157 /nfs/dbraw/zinc/52/41/57/654524157.db2.gz UZPZCHIQHDSMAA-IUCAKERBSA-N -1 3 399.275 2.222 20 30 GEEDHM O=C([C@@H]1CC[C@@H](C(F)(F)F)[N-]C1=O)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927288808 654598197 /nfs/dbraw/zinc/59/81/97/654598197.db2.gz LINXXSPDYGKHKD-FYBVGQRMSA-N -1 3 376.272 2.337 20 30 GEEDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC#N)C(F)(F)F)ccc1F ZINC000928815103 654661452 /nfs/dbraw/zinc/66/14/52/654661452.db2.gz PLCBGIPSKZGYTB-LBPRGKRZSA-N -1 3 381.351 2.087 20 30 GEEDHM C[C@](O)(CN1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(F)(F)C(F)(F)F ZINC000930309262 654705552 /nfs/dbraw/zinc/70/55/52/654705552.db2.gz QECRLXWFKBSLLH-JTQLQIEISA-N -1 3 386.283 2.326 20 30 GEEDHM N#Cc1cc(CS(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)cs1 ZINC000913966440 654819081 /nfs/dbraw/zinc/81/90/81/654819081.db2.gz FVSSCZZFCVNFRJ-UHFFFAOYSA-N -1 3 375.475 2.019 20 30 GEEDHM N#Cc1cc(CS(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cs1 ZINC000914167797 654831045 /nfs/dbraw/zinc/83/10/45/654831045.db2.gz YDAMCFYFSZLVAB-OAHLLOKOSA-N -1 3 395.893 2.498 20 30 GEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCC(=O)NCc1ccccc1 ZINC000156954294 531729044 /nfs/dbraw/zinc/72/90/44/531729044.db2.gz YOIZISYYBLEWFA-UHFFFAOYSA-N -1 3 377.853 2.196 20 30 GEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2scnc2C)ccc1F ZINC000171689012 531911789 /nfs/dbraw/zinc/91/17/89/531911789.db2.gz QACMWUAXFBJKPV-UHFFFAOYSA-N -1 3 383.470 2.327 20 30 GEEDHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000173535756 532016050 /nfs/dbraw/zinc/01/60/50/532016050.db2.gz IRHKTCRABIGRBD-UHFFFAOYSA-N -1 3 381.797 2.477 20 30 GEEDHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1C/N=C/c1cc(Br)ccc1[O-] ZINC000129382243 532177731 /nfs/dbraw/zinc/17/77/31/532177731.db2.gz KMBWODFGVQMINN-AKSKDWEKSA-N -1 3 375.288 2.292 20 30 GEEDHM N#Cc1cc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)ccc1F ZINC000132297875 532213236 /nfs/dbraw/zinc/21/32/36/532213236.db2.gz UDYAFSUKZCCTIR-UHFFFAOYSA-N -1 3 392.184 2.420 20 30 GEEDHM C=CCC[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccccc1 ZINC000134047445 532248833 /nfs/dbraw/zinc/24/88/33/532248833.db2.gz XFZNZHBCBWJGLC-CQSZACIVSA-N -1 3 392.253 2.123 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(CC(F)(F)F)C2=O)c(Cl)c1 ZINC000180185070 532261067 /nfs/dbraw/zinc/26/10/67/532261067.db2.gz AQVHLHBZWLQYRS-NSHDSACASA-N -1 3 395.790 2.043 20 30 GEEDHM CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)N1CCOCC1 ZINC000183456768 532325026 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GEEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C#N)C(C)C)c(Br)c1 ZINC000463470107 532374806 /nfs/dbraw/zinc/37/48/06/532374806.db2.gz IWDQQKJXYACWKT-NSHDSACASA-N -1 3 375.244 2.062 20 30 GEEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000425178649 532368521 /nfs/dbraw/zinc/36/85/21/532368521.db2.gz MLCHRAOSDNXUFG-GWCFXTLKSA-N -1 3 389.857 2.005 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNC(=O)CCCc2ccccc2)s1 ZINC000425181771 532368588 /nfs/dbraw/zinc/36/85/88/532368588.db2.gz HXQIWMYCLQHITD-UHFFFAOYSA-N -1 3 377.491 2.037 20 30 GEEDHM CN1CC=C(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC000295226411 532422914 /nfs/dbraw/zinc/42/29/14/532422914.db2.gz WHHAJYWYMKFYQQ-UHFFFAOYSA-N -1 3 388.262 2.000 20 30 GEEDHM CC(C)C[C@H](C#N)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000592757328 532460728 /nfs/dbraw/zinc/46/07/28/532460728.db2.gz JKZOLXVKDDOIKY-SNVBAGLBSA-N -1 3 378.281 2.326 20 30 GEEDHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(CC#N)CC2)cc1 ZINC000429984132 532485763 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COC(=O)CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435438207 532617800 /nfs/dbraw/zinc/61/78/00/532617800.db2.gz NFKSMKNBCSTNJS-AWEZNQCLSA-N -1 3 378.475 2.463 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)s1 ZINC000435440553 532618840 /nfs/dbraw/zinc/61/88/40/532618840.db2.gz XRRBBRWHKQMBNF-CYBMUJFWSA-N -1 3 399.856 2.496 20 30 GEEDHM Cc1nnc2n1CCC[C@@H]2[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000376328451 532608580 /nfs/dbraw/zinc/60/85/80/532608580.db2.gz SJRFKYRANMBMRV-LBPRGKRZSA-N -1 3 396.270 2.034 20 30 GEEDHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@](C)(C#N)CSC ZINC000285050856 532643180 /nfs/dbraw/zinc/64/31/80/532643180.db2.gz JWIWHDCVYBSOLA-GFCCVEGCSA-N -1 3 379.301 2.381 20 30 GEEDHM N#CCN1CCC(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000476423504 532643546 /nfs/dbraw/zinc/64/35/46/532643546.db2.gz LEMQUAGKPWBHPS-UHFFFAOYSA-N -1 3 390.278 2.102 20 30 GEEDHM Cc1cc(C2([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)CCOCC2)on1 ZINC000599515792 532664077 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396.481 2.252 20 30 GEEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)NC(C)(C)C ZINC000299328105 532711467 /nfs/dbraw/zinc/71/14/67/532711467.db2.gz IXGOTGDSKHKXLE-VIFPVBQESA-N -1 3 377.388 2.159 20 30 GEEDHM CC#CCCNC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCSC2 ZINC000440713952 532722513 /nfs/dbraw/zinc/72/25/13/532722513.db2.gz SVBQQUDVLZISEX-UHFFFAOYSA-N -1 3 380.491 2.182 20 30 GEEDHM CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000299608203 532730176 /nfs/dbraw/zinc/73/01/76/532730176.db2.gz BOZMQMYNIQUPRT-UHFFFAOYSA-N -1 3 377.388 2.018 20 30 GEEDHM N#C[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccccc1Br ZINC000614621680 532743915 /nfs/dbraw/zinc/74/39/15/532743915.db2.gz BZJXXRUOXFRQAL-OAHLLOKOSA-N -1 3 388.221 2.266 20 30 GEEDHM CN(C)S(=O)(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000540895214 532746691 /nfs/dbraw/zinc/74/66/91/532746691.db2.gz GOKLDDJMVNOMAP-UHFFFAOYSA-N -1 3 399.881 2.263 20 30 GEEDHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C#N)C(C)(C)C)cc1 ZINC000268484573 532765892 /nfs/dbraw/zinc/76/58/92/532765892.db2.gz ZVUQLWJQPJTNCI-HNNXBMFYSA-N -1 3 387.527 2.445 20 30 GEEDHM CCOCCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCC#N ZINC000542242171 532767950 /nfs/dbraw/zinc/76/79/50/532767950.db2.gz JHQVLOJRPODBLP-UHFFFAOYSA-N -1 3 391.287 2.446 20 30 GEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000584541160 532768974 /nfs/dbraw/zinc/76/89/74/532768974.db2.gz XRANIGIUDVWORO-STQMWFEESA-N -1 3 381.885 2.424 20 30 GEEDHM CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000286853615 532772364 /nfs/dbraw/zinc/77/23/64/532772364.db2.gz LDTJGXGHXGOCNO-HXUWFJFHSA-N -1 3 393.328 2.146 20 30 GEEDHM N#CC1(CS(=O)(=O)[N-][C@H]2CC(=O)N(c3ccccc3Cl)C2)CCCC1 ZINC000544721814 532783017 /nfs/dbraw/zinc/78/30/17/532783017.db2.gz PYUVWUKKKDOSCB-ZDUSSCGKSA-N -1 3 381.885 2.449 20 30 GEEDHM CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)[C@H]2C1 ZINC000514966292 532781349 /nfs/dbraw/zinc/78/13/49/532781349.db2.gz NTFDXVOAZCFFIT-OFQRWUPVSA-N -1 3 381.885 2.137 20 30 GEEDHM C=CCN(C1CC1)S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000271659382 532811392 /nfs/dbraw/zinc/81/13/92/532811392.db2.gz JJNVRFPDJWHHTD-UHFFFAOYSA-N -1 3 376.475 2.315 20 30 GEEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000414449704 532827564 /nfs/dbraw/zinc/82/75/64/532827564.db2.gz CVIUOQIZQNWBEL-CYBMUJFWSA-N -1 3 379.251 2.494 20 30 GEEDHM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000290507087 532882738 /nfs/dbraw/zinc/88/27/38/532882738.db2.gz AJKJMTNMNPBDGY-AWEZNQCLSA-N -1 3 387.255 2.206 20 30 GEEDHM C=CCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000276136343 532889845 /nfs/dbraw/zinc/88/98/45/532889845.db2.gz DMPHJACXBKFLEM-CQSZACIVSA-N -1 3 386.901 2.445 20 30 GEEDHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)s1 ZINC000276268879 532892252 /nfs/dbraw/zinc/89/22/52/532892252.db2.gz NGPXELFZZCXKQX-BLLLJJGKSA-N -1 3 385.511 2.397 20 30 GEEDHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@]2(C#N)CC2(C)C)cc1 ZINC000291036732 532895226 /nfs/dbraw/zinc/89/52/26/532895226.db2.gz ZOANBNYAGVIMQF-MRXNPFEDSA-N -1 3 385.511 2.199 20 30 GEEDHM C=CCN(CCC#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000292700177 532917636 /nfs/dbraw/zinc/91/76/36/532917636.db2.gz QQJGBMQWEIWFOJ-UHFFFAOYSA-N -1 3 389.474 2.066 20 30 GEEDHM COc1ccc(CC[N-]S(=O)(=O)c2cccnc2C#N)c(Cl)c1OC ZINC000293135599 532922631 /nfs/dbraw/zinc/92/26/31/532922631.db2.gz QBSVCTPEYUJIBJ-UHFFFAOYSA-N -1 3 381.841 2.145 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c(Cl)c1 ZINC000368231233 532930934 /nfs/dbraw/zinc/93/09/34/532930934.db2.gz JPFWJBYJMNHYEK-HOCLYGCPSA-N -1 3 384.885 2.200 20 30 GEEDHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2cccnc2C#N)N(C)C)cc1 ZINC000293985008 532934257 /nfs/dbraw/zinc/93/42/57/532934257.db2.gz FAMLWQAXOOSUSC-INIZCTEOSA-N -1 3 376.507 2.256 20 30 GEEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=O)Nc1ccc(CC#N)cc1 ZINC000737522913 598826852 /nfs/dbraw/zinc/82/68/52/598826852.db2.gz ODRLEYDBRGIMCJ-UHFFFAOYSA-N -1 3 399.418 2.138 20 30 GEEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=O)Nc1ccc(CC#N)cc1 ZINC000737522913 598826854 /nfs/dbraw/zinc/82/68/54/598826854.db2.gz ODRLEYDBRGIMCJ-UHFFFAOYSA-N -1 3 399.418 2.138 20 30 GEEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(OCC#N)cc1 ZINC000736189259 598843037 /nfs/dbraw/zinc/84/30/37/598843037.db2.gz SKSDPXVAKMJJEJ-ZDUSSCGKSA-N -1 3 379.376 2.280 20 30 GEEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(OCC#N)cc1 ZINC000736189259 598843038 /nfs/dbraw/zinc/84/30/38/598843038.db2.gz SKSDPXVAKMJJEJ-ZDUSSCGKSA-N -1 3 379.376 2.280 20 30 GEEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736308930 598866417 /nfs/dbraw/zinc/86/64/17/598866417.db2.gz JRKULUGKERVOIC-INIZCTEOSA-N -1 3 392.419 2.243 20 30 GEEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000736310080 598867085 /nfs/dbraw/zinc/86/70/85/598867085.db2.gz ULPKIDAFPSMJAB-HNNXBMFYSA-N -1 3 392.419 2.243 20 30 GEEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000736310080 598867087 /nfs/dbraw/zinc/86/70/87/598867087.db2.gz ULPKIDAFPSMJAB-HNNXBMFYSA-N -1 3 392.419 2.243 20 30 GEEDHM COC(=O)[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899605 598896475 /nfs/dbraw/zinc/89/64/75/598896475.db2.gz PLOFNUPYSNVNCZ-SFHVURJKSA-N -1 3 391.387 2.128 20 30 GEEDHM COC(=O)[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899605 598896476 /nfs/dbraw/zinc/89/64/76/598896476.db2.gz PLOFNUPYSNVNCZ-SFHVURJKSA-N -1 3 391.387 2.128 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cn(-c3ccccc3Cl)nn2)cc1-c1nnn[n-]1 ZINC000737718464 598914235 /nfs/dbraw/zinc/91/42/35/598914235.db2.gz JMZUETTULRVSHM-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cn(-c3ccccc3Cl)nn2)cc1-c1nn[n-]n1 ZINC000737718464 598914237 /nfs/dbraw/zinc/91/42/37/598914237.db2.gz JMZUETTULRVSHM-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM COc1ccc(-n2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)n2)cc1 ZINC000737066846 598915191 /nfs/dbraw/zinc/91/51/91/598915191.db2.gz WUQYRWOBDVXPGJ-UHFFFAOYSA-N -1 3 386.375 2.185 20 30 GEEDHM COc1ccc(-n2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)n2)cc1 ZINC000737066846 598915192 /nfs/dbraw/zinc/91/51/92/598915192.db2.gz WUQYRWOBDVXPGJ-UHFFFAOYSA-N -1 3 386.375 2.185 20 30 GEEDHM CC(=O)N[C@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000735477018 598916250 /nfs/dbraw/zinc/91/62/50/598916250.db2.gz ZRAGCGBVMHZKCS-GOSISDBHSA-N -1 3 389.419 2.253 20 30 GEEDHM CC(=O)N[C@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000735477018 598916252 /nfs/dbraw/zinc/91/62/52/598916252.db2.gz ZRAGCGBVMHZKCS-GOSISDBHSA-N -1 3 389.419 2.253 20 30 GEEDHM N#Cc1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1-c1nnn[n-]1 ZINC000737719425 598917950 /nfs/dbraw/zinc/91/79/50/598917950.db2.gz QIWNYDRFRUVOSM-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM N#Cc1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1-c1nn[n-]n1 ZINC000737719425 598917951 /nfs/dbraw/zinc/91/79/51/598917951.db2.gz QIWNYDRFRUVOSM-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM N#C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)CCN1Cc1ccccc1 ZINC000737678564 598918941 /nfs/dbraw/zinc/91/89/41/598918941.db2.gz JYZFUIRYRSQEQF-SFHVURJKSA-N -1 3 377.427 2.216 20 30 GEEDHM N#C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)CCN1Cc1ccccc1 ZINC000737678564 598918942 /nfs/dbraw/zinc/91/89/42/598918942.db2.gz JYZFUIRYRSQEQF-SFHVURJKSA-N -1 3 377.427 2.216 20 30 GEEDHM N#Cc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000737715923 598920258 /nfs/dbraw/zinc/92/02/58/598920258.db2.gz IOHRDGUDVXOOGC-UHFFFAOYSA-N -1 3 384.403 2.495 20 30 GEEDHM N#Cc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000737715923 598920260 /nfs/dbraw/zinc/92/02/60/598920260.db2.gz IOHRDGUDVXOOGC-UHFFFAOYSA-N -1 3 384.403 2.495 20 30 GEEDHM CC(C)COC(=O)N1CCC(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC1 ZINC000735839338 598926402 /nfs/dbraw/zinc/92/64/02/598926402.db2.gz PPEUKXPZIMETOZ-UHFFFAOYSA-N -1 3 397.439 2.181 20 30 GEEDHM CC(C)COC(=O)N1CCC(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1 ZINC000735839338 598926404 /nfs/dbraw/zinc/92/64/04/598926404.db2.gz PPEUKXPZIMETOZ-UHFFFAOYSA-N -1 3 397.439 2.181 20 30 GEEDHM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735425751 598954170 /nfs/dbraw/zinc/95/41/70/598954170.db2.gz FFWIEULULDKOFE-UHFFFAOYSA-N -1 3 394.460 2.424 20 30 GEEDHM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735425751 598954171 /nfs/dbraw/zinc/95/41/71/598954171.db2.gz FFWIEULULDKOFE-UHFFFAOYSA-N -1 3 394.460 2.424 20 30 GEEDHM O=C(Nc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1)C(F)(F)F ZINC000823363449 607254865 /nfs/dbraw/zinc/25/48/65/607254865.db2.gz FAHMUXOESSNKQZ-UHFFFAOYSA-N -1 3 389.341 2.491 20 30 GEEDHM O=C(Nc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1)C(F)(F)F ZINC000823363449 607254866 /nfs/dbraw/zinc/25/48/66/607254866.db2.gz FAHMUXOESSNKQZ-UHFFFAOYSA-N -1 3 389.341 2.491 20 30 GEEDHM C=CC[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)c1ccncc1 ZINC000735410142 598969153 /nfs/dbraw/zinc/96/91/53/598969153.db2.gz VJISRWBDEXXPNG-HNNXBMFYSA-N -1 3 380.408 2.083 20 30 GEEDHM C=CC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)c1ccncc1 ZINC000735410142 598969158 /nfs/dbraw/zinc/96/91/58/598969158.db2.gz VJISRWBDEXXPNG-HNNXBMFYSA-N -1 3 380.408 2.083 20 30 GEEDHM N#Cc1ccc([C@H](Sc2nc3c(cc2-c2nnn[n-]2)CCCC3)C(N)=O)cc1 ZINC000737711696 599013262 /nfs/dbraw/zinc/01/32/62/599013262.db2.gz JKKAYPDQDKYIAG-INIZCTEOSA-N -1 3 391.460 2.331 20 30 GEEDHM N#Cc1ccc([C@H](Sc2nc3c(cc2-c2nn[n-]n2)CCCC3)C(N)=O)cc1 ZINC000737711696 599013264 /nfs/dbraw/zinc/01/32/64/599013264.db2.gz JKKAYPDQDKYIAG-INIZCTEOSA-N -1 3 391.460 2.331 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000735421094 599059649 /nfs/dbraw/zinc/05/96/49/599059649.db2.gz XPJBGDCBWQRDEG-HHHXNRCGSA-N -1 3 390.513 2.112 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000735421094 599059652 /nfs/dbraw/zinc/05/96/52/599059652.db2.gz XPJBGDCBWQRDEG-HHHXNRCGSA-N -1 3 390.513 2.112 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735382103 599092617 /nfs/dbraw/zinc/09/26/17/599092617.db2.gz VGRRZFKVYCIKCW-GFCCVEGCSA-N -1 3 381.367 2.424 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735382103 599092620 /nfs/dbraw/zinc/09/26/20/599092620.db2.gz VGRRZFKVYCIKCW-GFCCVEGCSA-N -1 3 381.367 2.424 20 30 GEEDHM COCCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736989484 599117424 /nfs/dbraw/zinc/11/74/24/599117424.db2.gz VCRDGRSYFQKJAL-UHFFFAOYSA-N -1 3 376.420 2.351 20 30 GEEDHM COCCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736989484 599117427 /nfs/dbraw/zinc/11/74/27/599117427.db2.gz VCRDGRSYFQKJAL-UHFFFAOYSA-N -1 3 376.420 2.351 20 30 GEEDHM C=CCn1c(C)nnc1SCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000735443067 599158113 /nfs/dbraw/zinc/15/81/13/599158113.db2.gz OITGOAGKBRXEGU-UHFFFAOYSA-N -1 3 381.425 2.295 20 30 GEEDHM C=CCn1c(C)nnc1SCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735443067 599158115 /nfs/dbraw/zinc/15/81/15/599158115.db2.gz OITGOAGKBRXEGU-UHFFFAOYSA-N -1 3 381.425 2.295 20 30 GEEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2nnc(-c3cccc(C#N)c3)o2)n1 ZINC000737470411 599162290 /nfs/dbraw/zinc/16/22/90/599162290.db2.gz IMXSFRUYRDHPLK-UHFFFAOYSA-N -1 3 391.420 2.488 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735633339 599192452 /nfs/dbraw/zinc/19/24/52/599192452.db2.gz OWDWOYKTNHKVJY-DZGCQCFKSA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735633339 599192455 /nfs/dbraw/zinc/19/24/55/599192455.db2.gz OWDWOYKTNHKVJY-DZGCQCFKSA-N -1 3 397.439 2.370 20 30 GEEDHM Cc1c(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nnn1-c1ccc(C)cc1 ZINC000737306263 599198257 /nfs/dbraw/zinc/19/82/57/599198257.db2.gz PWWUAIWVIVGYGD-UHFFFAOYSA-N -1 3 399.418 2.117 20 30 GEEDHM Cc1c(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nnn1-c1ccc(C)cc1 ZINC000737306263 599198259 /nfs/dbraw/zinc/19/82/59/599198259.db2.gz PWWUAIWVIVGYGD-UHFFFAOYSA-N -1 3 399.418 2.117 20 30 GEEDHM Cc1nc(SCC(=O)Nc2ccn(CCC#N)n2)c(-c2nnn[n-]2)c(C)c1C ZINC000737483168 599259874 /nfs/dbraw/zinc/25/98/74/599259874.db2.gz LRMXQEDLEZPJHP-UHFFFAOYSA-N -1 3 397.468 2.028 20 30 GEEDHM Cc1nc(SCC(=O)Nc2ccn(CCC#N)n2)c(-c2nn[n-]n2)c(C)c1C ZINC000737483168 599259875 /nfs/dbraw/zinc/25/98/75/599259875.db2.gz LRMXQEDLEZPJHP-UHFFFAOYSA-N -1 3 397.468 2.028 20 30 GEEDHM C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820368299 599262785 /nfs/dbraw/zinc/26/27/85/599262785.db2.gz ZOCRLTRXXCBUTP-ZDUSSCGKSA-N -1 3 377.408 2.178 20 30 GEEDHM C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820368299 599262787 /nfs/dbraw/zinc/26/27/87/599262787.db2.gz ZOCRLTRXXCBUTP-ZDUSSCGKSA-N -1 3 377.408 2.178 20 30 GEEDHM CCOc1ccc(C#N)cc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821416698 599267980 /nfs/dbraw/zinc/26/79/80/599267980.db2.gz CIJWJPZPVPALNE-UHFFFAOYSA-N -1 3 393.407 2.338 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000819710011 599285676 /nfs/dbraw/zinc/28/56/76/599285676.db2.gz VMDHSANHNZJGCE-UHFFFAOYSA-N -1 3 384.346 2.479 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000819710011 599285679 /nfs/dbraw/zinc/28/56/79/599285679.db2.gz VMDHSANHNZJGCE-UHFFFAOYSA-N -1 3 384.346 2.479 20 30 GEEDHM CC(C)(C)CN(CCC#N)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735602395 598242082 /nfs/dbraw/zinc/24/20/82/598242082.db2.gz OXMRJRBDKKRKOO-UHFFFAOYSA-N -1 3 393.455 2.037 20 30 GEEDHM CC(C)(C)CN(CCC#N)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735602395 598242084 /nfs/dbraw/zinc/24/20/84/598242084.db2.gz OXMRJRBDKKRKOO-UHFFFAOYSA-N -1 3 393.455 2.037 20 30 GEEDHM N#Cc1cc(F)c(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c(F)c1 ZINC000737704000 598245967 /nfs/dbraw/zinc/24/59/67/598245967.db2.gz GPVRHWBNISNATQ-UHFFFAOYSA-N -1 3 385.353 2.482 20 30 GEEDHM N#Cc1ccc(N2CCN(CCOc3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000737718221 598256765 /nfs/dbraw/zinc/25/67/65/598256765.db2.gz MMIPFKVYZDYENX-UHFFFAOYSA-N -1 3 393.426 2.078 20 30 GEEDHM N#CCn1c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc2ccccc21 ZINC000737697833 598298040 /nfs/dbraw/zinc/29/80/40/598298040.db2.gz NPDMNZLJCJBYHX-UHFFFAOYSA-N -1 3 375.367 2.414 20 30 GEEDHM N#CCn1c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc2ccccc21 ZINC000737697833 598298042 /nfs/dbraw/zinc/29/80/42/598298042.db2.gz NPDMNZLJCJBYHX-UHFFFAOYSA-N -1 3 375.367 2.414 20 30 GEEDHM N#C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000737679994 598373222 /nfs/dbraw/zinc/37/32/22/598373222.db2.gz UKLCYMAEFRQITE-KRWDZBQOSA-N -1 3 391.391 2.415 20 30 GEEDHM N#C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000737679994 598373223 /nfs/dbraw/zinc/37/32/23/598373223.db2.gz UKLCYMAEFRQITE-KRWDZBQOSA-N -1 3 391.391 2.415 20 30 GEEDHM Cc1c(C(=O)C=Cc2ccc(-n3cncn3)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203274 598378363 /nfs/dbraw/zinc/37/83/63/598378363.db2.gz SUHCJRJFAWQJPZ-RMKNXTFCSA-N -1 3 386.419 2.400 20 30 GEEDHM Cc1c(C(=O)C=Cc2ccc(-n3cncn3)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203274 598378365 /nfs/dbraw/zinc/37/83/65/598378365.db2.gz SUHCJRJFAWQJPZ-RMKNXTFCSA-N -1 3 386.419 2.400 20 30 GEEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)C(=O)c1cc(F)ccc1F ZINC000736190480 598392110 /nfs/dbraw/zinc/39/21/10/598392110.db2.gz FPPHRIRMUASAAG-ZETCQYMHSA-N -1 3 387.375 2.357 20 30 GEEDHM C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)C(=O)c1cc(F)ccc1F ZINC000736190480 598392112 /nfs/dbraw/zinc/39/21/12/598392112.db2.gz FPPHRIRMUASAAG-ZETCQYMHSA-N -1 3 387.375 2.357 20 30 GEEDHM N#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)nc1 ZINC000737711024 598441449 /nfs/dbraw/zinc/44/14/49/598441449.db2.gz DPOTXRRDMRDLLD-UHFFFAOYSA-N -1 3 388.416 2.433 20 30 GEEDHM N#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)nc1 ZINC000737711024 598441450 /nfs/dbraw/zinc/44/14/50/598441450.db2.gz DPOTXRRDMRDLLD-UHFFFAOYSA-N -1 3 388.416 2.433 20 30 GEEDHM COc1ccc(OC)c(C=NO[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737110078 598471475 /nfs/dbraw/zinc/47/14/75/598471475.db2.gz WZNXNWWVTVWNAL-LBPRGKRZSA-N -1 3 396.407 2.262 20 30 GEEDHM COc1ccc(OC)c(C=NO[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737110078 598471477 /nfs/dbraw/zinc/47/14/77/598471477.db2.gz WZNXNWWVTVWNAL-LBPRGKRZSA-N -1 3 396.407 2.262 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735426852 598481992 /nfs/dbraw/zinc/48/19/92/598481992.db2.gz YTUCWFNBGOZSGO-GFCCVEGCSA-N -1 3 398.448 2.083 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735426852 598481994 /nfs/dbraw/zinc/48/19/94/598481994.db2.gz YTUCWFNBGOZSGO-GFCCVEGCSA-N -1 3 398.448 2.083 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc2c(c1)COC2 ZINC000735426071 598525580 /nfs/dbraw/zinc/52/55/80/598525580.db2.gz JWAFHROOZDANMT-UHFFFAOYSA-N -1 3 397.460 2.274 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc2c(c1)COC2 ZINC000735426071 598525582 /nfs/dbraw/zinc/52/55/82/598525582.db2.gz JWAFHROOZDANMT-UHFFFAOYSA-N -1 3 397.460 2.274 20 30 GEEDHM N#C[C@@]1(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCSC1 ZINC000737678597 598550015 /nfs/dbraw/zinc/55/00/15/598550015.db2.gz KUNDNZDBAIVTGY-SFHVURJKSA-N -1 3 396.432 2.168 20 30 GEEDHM N#CC1(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCOCC1 ZINC000737679893 598582364 /nfs/dbraw/zinc/58/23/64/598582364.db2.gz TWRKDNYNYAIWJF-UHFFFAOYSA-N -1 3 395.448 2.173 20 30 GEEDHM N#CC1(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCOCC1 ZINC000737679893 598582365 /nfs/dbraw/zinc/58/23/65/598582365.db2.gz TWRKDNYNYAIWJF-UHFFFAOYSA-N -1 3 395.448 2.173 20 30 GEEDHM C#CCN1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735380146 598682641 /nfs/dbraw/zinc/68/26/41/598682641.db2.gz CQQMQVRMBMZJPU-KRWDZBQOSA-N -1 3 389.419 2.090 20 30 GEEDHM N#CCCN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCCO2 ZINC000737687747 598766244 /nfs/dbraw/zinc/76/62/44/598766244.db2.gz UFVFRGYFUJLGJP-UHFFFAOYSA-N -1 3 390.403 2.127 20 30 GEEDHM N#CCCN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000737687747 598766246 /nfs/dbraw/zinc/76/62/46/598766246.db2.gz UFVFRGYFUJLGJP-UHFFFAOYSA-N -1 3 390.403 2.127 20 30 GEEDHM CC(C)CCN(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735804128 598767469 /nfs/dbraw/zinc/76/74/69/598767469.db2.gz OWZBHFNCJJMXSQ-UHFFFAOYSA-N -1 3 382.877 2.471 20 30 GEEDHM CC(C)CCN(CCC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735804128 598767471 /nfs/dbraw/zinc/76/74/71/598767471.db2.gz OWZBHFNCJJMXSQ-UHFFFAOYSA-N -1 3 382.877 2.471 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC000822833699 599368108 /nfs/dbraw/zinc/36/81/08/599368108.db2.gz VAPHBSXLFZZHFV-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000822833699 599368110 /nfs/dbraw/zinc/36/81/10/599368110.db2.gz VAPHBSXLFZZHFV-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1cccnc1N1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000737727476 599400741 /nfs/dbraw/zinc/40/07/41/599400741.db2.gz OGXXINMYPUFQOM-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cccnc1N1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000737727476 599400746 /nfs/dbraw/zinc/40/07/46/599400746.db2.gz OGXXINMYPUFQOM-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM COCCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000737010392 599463396 /nfs/dbraw/zinc/46/33/96/599463396.db2.gz AJEJIXWNLANZSU-VMPITWQZSA-N -1 3 390.403 2.436 20 30 GEEDHM COCCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737010392 599463397 /nfs/dbraw/zinc/46/33/97/599463397.db2.gz AJEJIXWNLANZSU-VMPITWQZSA-N -1 3 390.403 2.436 20 30 GEEDHM C=C(Cl)CNC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735402243 599508335 /nfs/dbraw/zinc/50/83/35/599508335.db2.gz NVWHXTKMDXLXCC-UHFFFAOYSA-N -1 3 398.810 2.466 20 30 GEEDHM C=C(Cl)CNC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735402243 599508337 /nfs/dbraw/zinc/50/83/37/599508337.db2.gz NVWHXTKMDXLXCC-UHFFFAOYSA-N -1 3 398.810 2.466 20 30 GEEDHM C=CCNC(=O)[C@H](C)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735428257 599606022 /nfs/dbraw/zinc/60/60/22/599606022.db2.gz JRBFTDSXKLCIEO-ZDUSSCGKSA-N -1 3 392.419 2.458 20 30 GEEDHM CC(=NN=C(C)c1cnccn1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000819773192 599663547 /nfs/dbraw/zinc/66/35/47/599663547.db2.gz ROFLRZSFFIQKKB-UHFFFAOYSA-N -1 3 386.423 2.384 20 30 GEEDHM C#CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819709274 599664471 /nfs/dbraw/zinc/66/44/71/599664471.db2.gz AJLPYSMTZQAABT-ZDUSSCGKSA-N -1 3 391.387 2.063 20 30 GEEDHM C#CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819709274 599664472 /nfs/dbraw/zinc/66/44/72/599664472.db2.gz AJLPYSMTZQAABT-ZDUSSCGKSA-N -1 3 391.387 2.063 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1nc(C)c(C)s1 ZINC000819745658 607388590 /nfs/dbraw/zinc/38/85/90/607388590.db2.gz OGRXPNLRGCLFOZ-UHFFFAOYSA-N -1 3 390.494 2.317 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1nc(C)c(C)s1 ZINC000819745658 607388591 /nfs/dbraw/zinc/38/85/91/607388591.db2.gz OGRXPNLRGCLFOZ-UHFFFAOYSA-N -1 3 390.494 2.317 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000826277096 607398381 /nfs/dbraw/zinc/39/83/81/607398381.db2.gz JFBQFFCTXWCNQS-MRXNPFEDSA-N -1 3 389.419 2.275 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000826277096 607398383 /nfs/dbraw/zinc/39/83/83/607398383.db2.gz JFBQFFCTXWCNQS-MRXNPFEDSA-N -1 3 389.419 2.275 20 30 GEEDHM CC[C@@]1(c2ccccc2)NC(=O)N(N=Cc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000820967173 607463129 /nfs/dbraw/zinc/46/31/29/607463129.db2.gz LFGRPSVFDCRIAH-IBGZPJMESA-N -1 3 393.382 2.197 20 30 GEEDHM CC[C@@]1(c2ccccc2)NC(=O)N(N=Cc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000820967173 607463131 /nfs/dbraw/zinc/46/31/31/607463131.db2.gz LFGRPSVFDCRIAH-IBGZPJMESA-N -1 3 393.382 2.197 20 30 GEEDHM COc1ccc(CN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1C#N ZINC000826195591 607476921 /nfs/dbraw/zinc/47/69/21/607476921.db2.gz YXNVKNJTAMPKGT-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM COc1ccc(CN2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1C#N ZINC000826195591 607476923 /nfs/dbraw/zinc/47/69/23/607476923.db2.gz YXNVKNJTAMPKGT-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM Fc1ccc(C#CCN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1 ZINC000822761887 607493355 /nfs/dbraw/zinc/49/33/55/607493355.db2.gz VGZQKJOQNUXLBY-UHFFFAOYSA-N -1 3 380.402 2.319 20 30 GEEDHM Fc1ccc(C#CCN2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1 ZINC000822761887 607493356 /nfs/dbraw/zinc/49/33/56/607493356.db2.gz VGZQKJOQNUXLBY-UHFFFAOYSA-N -1 3 380.402 2.319 20 30 GEEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccccc1C#N ZINC000824293561 607599918 /nfs/dbraw/zinc/59/99/18/607599918.db2.gz RRKMZHTUNADTHT-UHFFFAOYSA-N -1 3 382.449 2.338 20 30 GEEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccccc1C#N ZINC000824293561 607599920 /nfs/dbraw/zinc/59/99/20/607599920.db2.gz RRKMZHTUNADTHT-UHFFFAOYSA-N -1 3 382.449 2.338 20 30 GEEDHM CC(C)N(CCC#N)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824288233 607607755 /nfs/dbraw/zinc/60/77/55/607607755.db2.gz ASLGNNVHYDONDZ-UHFFFAOYSA-N -1 3 388.375 2.198 20 30 GEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826383933 607610714 /nfs/dbraw/zinc/61/07/14/607610714.db2.gz YBMUAGIAJSJDRB-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826383933 607610715 /nfs/dbraw/zinc/61/07/15/607610715.db2.gz YBMUAGIAJSJDRB-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM C=CCc1ccc(OC[C@H](O)CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(OC)c1 ZINC000823522152 603970375 /nfs/dbraw/zinc/97/03/75/603970375.db2.gz UKGJVOGEWWWJOK-FGTMMUONSA-N -1 3 390.480 2.380 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1cccc(Cl)c1C#N ZINC000826279297 607670467 /nfs/dbraw/zinc/67/04/67/607670467.db2.gz MJDNFIKAQLHOJN-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1cccc(Cl)c1C#N ZINC000826279297 607670469 /nfs/dbraw/zinc/67/04/69/607670469.db2.gz MJDNFIKAQLHOJN-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(C#N)cc1S(=O)(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826281391 607691522 /nfs/dbraw/zinc/69/15/22/607691522.db2.gz PLHPMJMQMGZHQC-UHFFFAOYSA-N -1 3 380.433 2.014 20 30 GEEDHM Cc1ccc(C#N)cc1S(=O)(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826281391 607691524 /nfs/dbraw/zinc/69/15/24/607691524.db2.gz PLHPMJMQMGZHQC-UHFFFAOYSA-N -1 3 380.433 2.014 20 30 GEEDHM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822826170 606142812 /nfs/dbraw/zinc/14/28/12/606142812.db2.gz VCTUKWYMUBJXKZ-UHFFFAOYSA-N -1 3 396.794 2.116 20 30 GEEDHM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822826170 606142814 /nfs/dbraw/zinc/14/28/14/606142814.db2.gz VCTUKWYMUBJXKZ-UHFFFAOYSA-N -1 3 396.794 2.116 20 30 GEEDHM CC[C@@]1(c2ccccc2)NC(=O)N(N=Cc2cc(-c3nnn[n-]3)cs2)C1=O ZINC000820966080 606203472 /nfs/dbraw/zinc/20/34/72/606203472.db2.gz BTSCQRWNUMLKOR-KRWDZBQOSA-N -1 3 381.421 2.119 20 30 GEEDHM CC[C@@]1(c2ccccc2)NC(=O)N(N=Cc2cc(-c3nn[n-]n3)cs2)C1=O ZINC000820966080 606203474 /nfs/dbraw/zinc/20/34/74/606203474.db2.gz BTSCQRWNUMLKOR-KRWDZBQOSA-N -1 3 381.421 2.119 20 30 GEEDHM N#CCCn1cc(C(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c2ccccc21 ZINC000822810372 606233375 /nfs/dbraw/zinc/23/33/75/606233375.db2.gz HONQLCLOSCQELM-UHFFFAOYSA-N -1 3 389.375 2.103 20 30 GEEDHM N#CCCn1cc(C(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c2ccccc21 ZINC000822810372 606233376 /nfs/dbraw/zinc/23/33/76/606233376.db2.gz HONQLCLOSCQELM-UHFFFAOYSA-N -1 3 389.375 2.103 20 30 GEEDHM COc1ccc(C#N)cc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821768944 606248605 /nfs/dbraw/zinc/24/86/05/606248605.db2.gz BGTCSONIXIFFPL-LBPRGKRZSA-N -1 3 381.421 2.026 20 30 GEEDHM COc1ccc(C#N)cc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821768944 606248606 /nfs/dbraw/zinc/24/86/06/606248606.db2.gz BGTCSONIXIFFPL-LBPRGKRZSA-N -1 3 381.421 2.026 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821578334 606303642 /nfs/dbraw/zinc/30/36/42/606303642.db2.gz YUKZJZGDWJGIFP-BQYQJAHWSA-N -1 3 383.433 2.291 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821578334 606303643 /nfs/dbraw/zinc/30/36/43/606303643.db2.gz YUKZJZGDWJGIFP-BQYQJAHWSA-N -1 3 383.433 2.291 20 30 GEEDHM CN(C)C(=O)COc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821578188 606305195 /nfs/dbraw/zinc/30/51/95/606305195.db2.gz ROOUFNIEQDFELW-SREVYHEPSA-N -1 3 383.433 2.291 20 30 GEEDHM CN(C)C(=O)COc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821578188 606305197 /nfs/dbraw/zinc/30/51/97/606305197.db2.gz ROOUFNIEQDFELW-SREVYHEPSA-N -1 3 383.433 2.291 20 30 GEEDHM CC(C)N(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820117108 606342569 /nfs/dbraw/zinc/34/25/69/606342569.db2.gz VIHUGZSPCDGKLJ-UHFFFAOYSA-N -1 3 388.375 2.198 20 30 GEEDHM CC(C)N(CCC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820117108 606342570 /nfs/dbraw/zinc/34/25/70/606342570.db2.gz VIHUGZSPCDGKLJ-UHFFFAOYSA-N -1 3 388.375 2.198 20 30 GEEDHM COc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821877660 606369046 /nfs/dbraw/zinc/36/90/46/606369046.db2.gz PAIWOQHQRWISNP-UHFFFAOYSA-N -1 3 384.450 2.366 20 30 GEEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)ccc1S(C)(=O)=O ZINC000821702952 606390628 /nfs/dbraw/zinc/39/06/28/606390628.db2.gz IPFDPAQOYQASFG-GQCTYLIASA-N -1 3 390.446 2.236 20 30 GEEDHM N#Cc1c(N)n[nH]c1CCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000822818960 606442365 /nfs/dbraw/zinc/44/23/65/606442365.db2.gz JGSXUULBFMVEDR-UHFFFAOYSA-N -1 3 377.334 2.107 20 30 GEEDHM N#Cc1cnc2c(F)cc(F)cc2c1NCCNc1ncccc1-c1nnn[n-]1 ZINC000822842462 606461347 /nfs/dbraw/zinc/46/13/47/606461347.db2.gz JOBPFLDLVOFFQH-UHFFFAOYSA-N -1 3 393.361 2.484 20 30 GEEDHM N#Cc1cnc2c(F)cc(F)cc2c1NCCNc1ncccc1-c1nn[n-]n1 ZINC000822842462 606461348 /nfs/dbraw/zinc/46/13/48/606461348.db2.gz JOBPFLDLVOFFQH-UHFFFAOYSA-N -1 3 393.361 2.484 20 30 GEEDHM N#Cc1cccc(OC2CCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000822837703 606552701 /nfs/dbraw/zinc/55/27/01/606552701.db2.gz SMJJZJUUAGWXSR-UHFFFAOYSA-N -1 3 388.431 2.351 20 30 GEEDHM N#Cc1cccc(OC2CCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000822837703 606552702 /nfs/dbraw/zinc/55/27/02/606552702.db2.gz SMJJZJUUAGWXSR-UHFFFAOYSA-N -1 3 388.431 2.351 20 30 GEEDHM C=CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccncc1 ZINC000819734908 606610784 /nfs/dbraw/zinc/61/07/84/606610784.db2.gz XMIKHPHWXISDPY-OAHLLOKOSA-N -1 3 397.826 2.287 20 30 GEEDHM C=CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccncc1 ZINC000819734908 606610786 /nfs/dbraw/zinc/61/07/86/606610786.db2.gz XMIKHPHWXISDPY-OAHLLOKOSA-N -1 3 397.826 2.287 20 30 GEEDHM N#Cc1ccc(-n2nccc2NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822823383 606679287 /nfs/dbraw/zinc/67/92/87/606679287.db2.gz PACNMRAMFGZFEA-UHFFFAOYSA-N -1 3 392.329 2.455 20 30 GEEDHM N#Cc1ccc(-n2nccc2NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822823383 606679288 /nfs/dbraw/zinc/67/92/88/606679288.db2.gz PACNMRAMFGZFEA-UHFFFAOYSA-N -1 3 392.329 2.455 20 30 GEEDHM N#Cc1cc(F)c(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822818841 606679469 /nfs/dbraw/zinc/67/94/69/606679469.db2.gz HQXFKLAGYOMXOB-UHFFFAOYSA-N -1 3 392.329 2.455 20 30 GEEDHM Cc1sc(NC(=O)CN(CCC#N)Cc2ccco2)c(-c2nnn[n-]2)c1C ZINC000822559257 606698897 /nfs/dbraw/zinc/69/88/97/606698897.db2.gz ZRUAHOXKUHCJRG-UHFFFAOYSA-N -1 3 385.453 2.492 20 30 GEEDHM Cc1sc(NC(=O)CN(CCC#N)Cc2ccco2)c(-c2nn[n-]n2)c1C ZINC000822559257 606698898 /nfs/dbraw/zinc/69/88/98/606698898.db2.gz ZRUAHOXKUHCJRG-UHFFFAOYSA-N -1 3 385.453 2.492 20 30 GEEDHM C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820502805 606757954 /nfs/dbraw/zinc/75/79/54/606757954.db2.gz WAVNBAQEHIWJOG-VIFPVBQESA-N -1 3 398.329 2.201 20 30 GEEDHM C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820502805 606757955 /nfs/dbraw/zinc/75/79/55/606757955.db2.gz WAVNBAQEHIWJOG-VIFPVBQESA-N -1 3 398.329 2.201 20 30 GEEDHM C#CCOCCOC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819701553 606823143 /nfs/dbraw/zinc/82/31/43/606823143.db2.gz JJQWBTJJIKFKDT-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM C#CCOCCOC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819702261 606823365 /nfs/dbraw/zinc/82/33/65/606823365.db2.gz VVOGOZJMAUGQSZ-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM C#CCOCCOC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819702261 606823367 /nfs/dbraw/zinc/82/33/67/606823367.db2.gz VVOGOZJMAUGQSZ-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000819745449 606840229 /nfs/dbraw/zinc/84/02/29/606840229.db2.gz DJKFVPOVESSGLR-UHFFFAOYSA-N -1 3 379.442 2.444 20 30 GEEDHM C#CCNC(=O)c1ccccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819701585 606863297 /nfs/dbraw/zinc/86/32/97/606863297.db2.gz JVQWCERRHTYPAE-UHFFFAOYSA-N -1 3 376.420 2.111 20 30 GEEDHM C#CCNC(=O)c1ccccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819701585 606863298 /nfs/dbraw/zinc/86/32/98/606863298.db2.gz JVQWCERRHTYPAE-UHFFFAOYSA-N -1 3 376.420 2.111 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000822135829 606889279 /nfs/dbraw/zinc/88/92/79/606889279.db2.gz FMGINVQQCBUMCF-UHFFFAOYSA-N -1 3 377.332 2.093 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000822135829 606889281 /nfs/dbraw/zinc/88/92/81/606889281.db2.gz FMGINVQQCBUMCF-UHFFFAOYSA-N -1 3 377.332 2.093 20 30 GEEDHM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822159502 606894340 /nfs/dbraw/zinc/89/43/40/606894340.db2.gz AAONYMYNNZYJCD-UHFFFAOYSA-N -1 3 391.359 2.401 20 30 GEEDHM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822159502 606894341 /nfs/dbraw/zinc/89/43/41/606894341.db2.gz AAONYMYNNZYJCD-UHFFFAOYSA-N -1 3 391.359 2.401 20 30 GEEDHM N#Cc1cc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)ccc1F ZINC000822818552 606968749 /nfs/dbraw/zinc/96/87/49/606968749.db2.gz CMYOKVIFFAIMMN-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000819742928 607109472 /nfs/dbraw/zinc/10/94/72/607109472.db2.gz BXFNPDGPSLMVFB-INIZCTEOSA-N -1 3 378.440 2.365 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819739918 607117343 /nfs/dbraw/zinc/11/73/43/607117343.db2.gz KVUGNODRKBNRDY-AWEZNQCLSA-N -1 3 399.451 2.156 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819739918 607117345 /nfs/dbraw/zinc/11/73/45/607117345.db2.gz KVUGNODRKBNRDY-AWEZNQCLSA-N -1 3 399.451 2.156 20 30 GEEDHM N#CCCNC(=O)CNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822811296 607126062 /nfs/dbraw/zinc/12/60/62/607126062.db2.gz UYAKXEKRVSRESK-UHFFFAOYSA-N -1 3 381.371 2.240 20 30 GEEDHM N#CCCNC(=O)CNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822811296 607126064 /nfs/dbraw/zinc/12/60/64/607126064.db2.gz UYAKXEKRVSRESK-UHFFFAOYSA-N -1 3 381.371 2.240 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822830114 607248968 /nfs/dbraw/zinc/24/89/68/607248968.db2.gz VBQVQNIZEUQZJS-INIZCTEOSA-N -1 3 378.367 2.452 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822830114 607248969 /nfs/dbraw/zinc/24/89/69/607248969.db2.gz VBQVQNIZEUQZJS-INIZCTEOSA-N -1 3 378.367 2.452 20 30 GEEDHM CCCCCCCCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000825271761 607855194 /nfs/dbraw/zinc/85/51/94/607855194.db2.gz NPERGBFSXAMEEI-UHFFFAOYSA-N -1 3 386.504 2.454 20 30 GEEDHM CCCCCCCCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000825271761 607855195 /nfs/dbraw/zinc/85/51/95/607855195.db2.gz NPERGBFSXAMEEI-UHFFFAOYSA-N -1 3 386.504 2.454 20 30 GEEDHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC[C@H](C#N)CCC#N ZINC000826166978 607875574 /nfs/dbraw/zinc/87/55/74/607875574.db2.gz KFYPTMMMYIPABH-VIFPVBQESA-N -1 3 377.202 2.460 20 30 GEEDHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC[C@H](C#N)CCC#N ZINC000826166978 607875575 /nfs/dbraw/zinc/87/55/75/607875575.db2.gz KFYPTMMMYIPABH-VIFPVBQESA-N -1 3 377.202 2.460 20 30 GEEDHM N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000826385879 607933513 /nfs/dbraw/zinc/93/35/13/607933513.db2.gz GDDXQAPRVYUJMT-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000826385879 607933514 /nfs/dbraw/zinc/93/35/14/607933514.db2.gz GDDXQAPRVYUJMT-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)CC2 ZINC000826386091 607933653 /nfs/dbraw/zinc/93/36/53/607933653.db2.gz OMTPHUZCMJBZSU-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826334169 607949343 /nfs/dbraw/zinc/94/93/43/607949343.db2.gz KNRLXDIQXWOJJJ-UHFFFAOYSA-N -1 3 390.451 2.116 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826334169 607949344 /nfs/dbraw/zinc/94/93/44/607949344.db2.gz KNRLXDIQXWOJJJ-UHFFFAOYSA-N -1 3 390.451 2.116 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc2c1oc(=O)n2C ZINC000823914629 607962022 /nfs/dbraw/zinc/96/20/22/607962022.db2.gz KCHJWRSEIMUTRL-UHFFFAOYSA-N -1 3 390.403 2.140 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc2c1oc(=O)n2C ZINC000823914629 607962023 /nfs/dbraw/zinc/96/20/23/607962023.db2.gz KCHJWRSEIMUTRL-UHFFFAOYSA-N -1 3 390.403 2.140 20 30 GEEDHM C=C[C@H](CC(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883044 607980621 /nfs/dbraw/zinc/98/06/21/607980621.db2.gz JGFNKAWJWWWMBL-MRXNPFEDSA-N -1 3 391.431 2.386 20 30 GEEDHM C=C[C@H](CC(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883044 607980622 /nfs/dbraw/zinc/98/06/22/607980622.db2.gz JGFNKAWJWWWMBL-MRXNPFEDSA-N -1 3 391.431 2.386 20 30 GEEDHM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000826212951 608028334 /nfs/dbraw/zinc/02/83/34/608028334.db2.gz GTYUCKITNLKIEU-LBPRGKRZSA-N -1 3 376.376 2.252 20 30 GEEDHM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000826212951 608028335 /nfs/dbraw/zinc/02/83/35/608028335.db2.gz GTYUCKITNLKIEU-LBPRGKRZSA-N -1 3 376.376 2.252 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)Cc1cccc(OCC#N)c1 ZINC000826183893 608030328 /nfs/dbraw/zinc/03/03/28/608030328.db2.gz DQOIRGJZVFGDRK-UHFFFAOYSA-N -1 3 379.376 2.064 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cc1cccc(OCC#N)c1 ZINC000826183893 608030329 /nfs/dbraw/zinc/03/03/29/608030329.db2.gz DQOIRGJZVFGDRK-UHFFFAOYSA-N -1 3 379.376 2.064 20 30 GEEDHM COc1ccc(CNC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826202239 608092469 /nfs/dbraw/zinc/09/24/69/608092469.db2.gz SEKFJGJENGRTMJ-UHFFFAOYSA-N -1 3 387.494 2.325 20 30 GEEDHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCC[C@@](C)(C#N)C1 ZINC000824051729 608125418 /nfs/dbraw/zinc/12/54/18/608125418.db2.gz COIFGHCAYVJRQW-VOJFVSQTSA-N -1 3 385.497 2.370 20 30 GEEDHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCC[C@@](C)(C#N)C1 ZINC000824051729 608125419 /nfs/dbraw/zinc/12/54/19/608125419.db2.gz COIFGHCAYVJRQW-VOJFVSQTSA-N -1 3 385.497 2.370 20 30 GEEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1OCC#N ZINC000826162065 608138521 /nfs/dbraw/zinc/13/85/21/608138521.db2.gz LVPHNMFYUNXVQO-UHFFFAOYSA-N -1 3 394.391 2.047 20 30 GEEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1OCC#N ZINC000826162065 608138522 /nfs/dbraw/zinc/13/85/22/608138522.db2.gz LVPHNMFYUNXVQO-UHFFFAOYSA-N -1 3 394.391 2.047 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCC[C@](C)(C#N)C1 ZINC000826175720 608140968 /nfs/dbraw/zinc/14/09/68/608140968.db2.gz NRHBPBMOERIYGI-LJQANCHMSA-N -1 3 384.440 2.187 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCC[C@](C)(C#N)C1 ZINC000826175720 608140969 /nfs/dbraw/zinc/14/09/69/608140969.db2.gz NRHBPBMOERIYGI-LJQANCHMSA-N -1 3 384.440 2.187 20 30 GEEDHM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000824352878 608217541 /nfs/dbraw/zinc/21/75/41/608217541.db2.gz QQCRQUSTOPXCDO-UHFFFAOYSA-N -1 3 395.471 2.176 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000826274326 608280374 /nfs/dbraw/zinc/28/03/74/608280374.db2.gz NRSZYDAUHXHTJG-UHFFFAOYSA-N -1 3 388.435 2.297 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000826274326 608280376 /nfs/dbraw/zinc/28/03/76/608280376.db2.gz NRSZYDAUHXHTJG-UHFFFAOYSA-N -1 3 388.435 2.297 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1CON=CC(=O)Nc1ccc(F)cc1F ZINC000826172960 608323605 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Cc1cc(N[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)nn1CCC#N ZINC000826270597 608490430 /nfs/dbraw/zinc/49/04/30/608490430.db2.gz GUZCDOYCNHUOSQ-LLVKDONJSA-N -1 3 399.846 2.378 20 30 GEEDHM Cc1cc(N[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)nn1CCC#N ZINC000826270597 608490432 /nfs/dbraw/zinc/49/04/32/608490432.db2.gz GUZCDOYCNHUOSQ-LLVKDONJSA-N -1 3 399.846 2.378 20 30 GEEDHM Cc1cc(C(=O)N2CCSC[C@H]2C#N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258722 608564582 /nfs/dbraw/zinc/56/45/82/608564582.db2.gz UGDZBSQPGMSYAT-MRXNPFEDSA-N -1 3 393.476 2.355 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cnc(N2CCCC2)nc1 ZINC000823919292 608633047 /nfs/dbraw/zinc/63/30/47/608633047.db2.gz BMDRATHSMYKQQZ-UHFFFAOYSA-N -1 3 376.468 2.445 20 30 GEEDHM N#CCN1CCN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000826382077 608673200 /nfs/dbraw/zinc/67/32/00/608673200.db2.gz NJLDZYUIKTXKIO-UHFFFAOYSA-N -1 3 389.463 2.087 20 30 GEEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826379837 609141898 /nfs/dbraw/zinc/14/18/98/609141898.db2.gz DPZKIHKPONAJTR-LJQANCHMSA-N -1 3 377.427 2.388 20 30 GEEDHM Cc1nnc(SCc2nnc(-c3ccc(C#N)cc3)o2)c(-c2nnn[n-]2)c1C ZINC000826337100 609306190 /nfs/dbraw/zinc/30/61/90/609306190.db2.gz BIHUQSUAEQHKJC-UHFFFAOYSA-N -1 3 391.420 2.488 20 30 GEEDHM Cc1nnc(SCc2nnc(-c3ccc(C#N)cc3)o2)c(-c2nn[n-]n2)c1C ZINC000826337100 609306192 /nfs/dbraw/zinc/30/61/92/609306192.db2.gz BIHUQSUAEQHKJC-UHFFFAOYSA-N -1 3 391.420 2.488 20 30 GEEDHM C=CCn1c(N)nnc1SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000823937437 609308431 /nfs/dbraw/zinc/30/84/31/609308431.db2.gz XWSSBRUSBOGHHT-UHFFFAOYSA-N -1 3 393.274 2.281 20 30 GEEDHM C=CCn1c(N)nnc1SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000823937437 609308432 /nfs/dbraw/zinc/30/84/32/609308432.db2.gz XWSSBRUSBOGHHT-UHFFFAOYSA-N -1 3 393.274 2.281 20 30 GEEDHM N#CC1(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2-c2nnn[n-]2)CC1 ZINC000826379846 609308734 /nfs/dbraw/zinc/30/87/34/609308734.db2.gz DXVQGUWURLMMOF-UHFFFAOYSA-N -1 3 392.448 2.492 20 30 GEEDHM N#CC1(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2-c2nn[n-]n2)CC1 ZINC000826379846 609308736 /nfs/dbraw/zinc/30/87/36/609308736.db2.gz DXVQGUWURLMMOF-UHFFFAOYSA-N -1 3 392.448 2.492 20 30 GEEDHM CC(=NOCc1ccc(-c2nnn[n-]2)cc1Br)c1cnn(C)c1 ZINC000823962471 609326784 /nfs/dbraw/zinc/32/67/84/609326784.db2.gz KLXATAPSFQLKJF-UHFFFAOYSA-N -1 3 376.218 2.304 20 30 GEEDHM CC(=NOCc1ccc(-c2nn[n-]n2)cc1Br)c1cnn(C)c1 ZINC000823962471 609326785 /nfs/dbraw/zinc/32/67/85/609326785.db2.gz KLXATAPSFQLKJF-UHFFFAOYSA-N -1 3 376.218 2.304 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccccc1COC ZINC000823914826 609438331 /nfs/dbraw/zinc/43/83/31/609438331.db2.gz OCECNVDCRFAPRV-UHFFFAOYSA-N -1 3 399.476 2.390 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccccc1COC ZINC000823914826 609438333 /nfs/dbraw/zinc/43/83/33/609438333.db2.gz OCECNVDCRFAPRV-UHFFFAOYSA-N -1 3 399.476 2.390 20 30 GEEDHM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823909807 609449979 /nfs/dbraw/zinc/44/99/79/609449979.db2.gz RFTYWTHLBPOMLD-UHFFFAOYSA-N -1 3 377.401 2.018 20 30 GEEDHM O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826499232 609472557 /nfs/dbraw/zinc/47/25/57/609472557.db2.gz AFOVFEWJPORTRM-UHFFFAOYSA-N -1 3 384.743 2.197 20 30 GEEDHM O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826499232 609472560 /nfs/dbraw/zinc/47/25/60/609472560.db2.gz AFOVFEWJPORTRM-UHFFFAOYSA-N -1 3 384.743 2.197 20 30 GEEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC)c(C#N)c1 ZINC000826162473 609483537 /nfs/dbraw/zinc/48/35/37/609483537.db2.gz DDSLYWLEGOYSJA-UHFFFAOYSA-N -1 3 380.408 2.384 20 30 GEEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC)c(C#N)c1 ZINC000826162473 609483539 /nfs/dbraw/zinc/48/35/39/609483539.db2.gz DDSLYWLEGOYSJA-UHFFFAOYSA-N -1 3 380.408 2.384 20 30 GEEDHM COCCOc1ccc(C#N)cc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826162580 609497239 /nfs/dbraw/zinc/49/72/39/609497239.db2.gz JBAYAQCYXUUZFY-UHFFFAOYSA-N -1 3 379.380 2.408 20 30 GEEDHM COCCOc1ccc(C#N)cc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826162580 609497241 /nfs/dbraw/zinc/49/72/41/609497241.db2.gz JBAYAQCYXUUZFY-UHFFFAOYSA-N -1 3 379.380 2.408 20 30 GEEDHM N#Cc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000826384681 609545520 /nfs/dbraw/zinc/54/55/20/609545520.db2.gz FKERSLZRKNZIAW-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000826384681 609545523 /nfs/dbraw/zinc/54/55/23/609545523.db2.gz FKERSLZRKNZIAW-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM C=CCOCCNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823925437 609641692 /nfs/dbraw/zinc/64/16/92/609641692.db2.gz KLMWKJMTRQOUPT-UHFFFAOYSA-N -1 3 379.420 2.378 20 30 GEEDHM C=CCOCCNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823925437 609641693 /nfs/dbraw/zinc/64/16/93/609641693.db2.gz KLMWKJMTRQOUPT-UHFFFAOYSA-N -1 3 379.420 2.378 20 30 GEEDHM CC(C)(CC#N)CS(=O)(=O)[N-][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000451375922 650108648 /nfs/dbraw/zinc/10/86/48/650108648.db2.gz NQZXDXROQBTMEW-CQSZACIVSA-N -1 3 387.864 2.444 20 30 GEEDHM C[C@@H]1[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCCN1C ZINC000451390852 650110256 /nfs/dbraw/zinc/11/02/56/650110256.db2.gz FARAYSASOPVSEA-RNCFNFMXSA-N -1 3 390.278 2.221 20 30 GEEDHM Cc1c(C#N)cccc1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000509183125 650489298 /nfs/dbraw/zinc/48/92/98/650489298.db2.gz WWCMCNQFIOBHJR-UHFFFAOYSA-N -1 3 383.882 2.290 20 30 GEEDHM C=CCCN(C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000510375532 650511076 /nfs/dbraw/zinc/51/10/76/650511076.db2.gz IJZCXTBTKSIQQZ-UHFFFAOYSA-N -1 3 380.297 2.489 20 30 GEEDHM C=CCN(CCOC)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000482359036 650664579 /nfs/dbraw/zinc/66/45/79/650664579.db2.gz BNNYNAMOHSSJPK-UHFFFAOYSA-N -1 3 395.308 2.323 20 30 GEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCc2csc(C)n2)ccc1F ZINC000045847167 642599714 /nfs/dbraw/zinc/59/97/14/642599714.db2.gz NUJCDQRUNDBQGN-UHFFFAOYSA-N -1 3 383.470 2.027 20 30 GEEDHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1S(=O)(=O)NCC#N ZINC000533971242 650767696 /nfs/dbraw/zinc/76/76/96/650767696.db2.gz MJGYZPAUMKNTKR-UHFFFAOYSA-N -1 3 379.825 2.408 20 30 GEEDHM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(F)c1 ZINC000493252380 650793405 /nfs/dbraw/zinc/79/34/05/650793405.db2.gz HCMWUHZQOCNGRG-UHFFFAOYSA-N -1 3 387.389 2.009 20 30 GEEDHM N#Cc1ccc(CCC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000127606142 643780816 /nfs/dbraw/zinc/78/08/16/643780816.db2.gz JWTRIEVLBRXXPY-UHFFFAOYSA-N -1 3 397.909 2.300 20 30 GEEDHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000186658373 645071816 /nfs/dbraw/zinc/07/18/16/645071816.db2.gz BPTIISDAUBHMEN-VIFPVBQESA-N -1 3 399.104 2.427 20 30 GEEDHM C[C@H](CC#N)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000194740881 645346576 /nfs/dbraw/zinc/34/65/76/645346576.db2.gz SNDIQIVYXNCGQP-MRVPVSSYSA-N -1 3 376.265 2.466 20 30 GEEDHM C=CCCCCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000547460372 651027514 /nfs/dbraw/zinc/02/75/14/651027514.db2.gz 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COc1ccc(CN2CC[C@H]2C[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000528500872 532569487 /nfs/dbraw/zinc/56/94/87/532569487.db2.gz KJHFXKOQZVYZNV-AWEZNQCLSA-N -1 3 377.491 2.181 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2cccc(Br)c2)s1 ZINC000435420202 532617398 /nfs/dbraw/zinc/61/73/98/532617398.db2.gz BCUHZYCMIZNXID-LBPRGKRZSA-N -1 3 387.280 2.394 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)ccc2N2CCOCC2)s1 ZINC000435439627 532617818 /nfs/dbraw/zinc/61/78/18/532617818.db2.gz TZVLKLJRFMGDJX-UHFFFAOYSA-N -1 3 381.454 2.074 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3F)C2=O)s1 ZINC000435434692 532618752 /nfs/dbraw/zinc/61/87/52/532618752.db2.gz TXNJMEZESFZUIJ-ZDUSSCGKSA-N -1 3 379.438 2.233 20 30 GEEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2cccnc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000567009940 532636017 /nfs/dbraw/zinc/63/60/17/532636017.db2.gz HNCGEENVFSQDIC-PBHICJAKSA-N -1 3 376.869 2.330 20 30 GEEDHM N#CC[C@@H]1CC[C@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000298404569 532647657 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C=CCCCC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000274691170 532854055 /nfs/dbraw/zinc/85/40/55/532854055.db2.gz VGVFSUQWWYPMDU-UHFFFAOYSA-N -1 3 396.328 2.487 20 30 GEEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)c(Br)c1 ZINC000290961897 532893593 /nfs/dbraw/zinc/89/35/93/532893593.db2.gz ONMLOPCYLJFXOL-CQSZACIVSA-N -1 3 387.255 2.206 20 30 GEEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(C)Cc1cccc(C#N)c1 ZINC000737523191 598851861 /nfs/dbraw/zinc/85/18/61/598851861.db2.gz HLPSOGLSGIUVNJ-UHFFFAOYSA-N -1 3 385.435 2.395 20 30 GEEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(C)Cc1cccc(C#N)c1 ZINC000737523191 598851863 /nfs/dbraw/zinc/85/18/63/598851863.db2.gz HLPSOGLSGIUVNJ-UHFFFAOYSA-N -1 3 385.435 2.395 20 30 GEEDHM CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736628928 598867297 /nfs/dbraw/zinc/86/72/97/598867297.db2.gz ZCJAQCCCWFROAI-UHFFFAOYSA-N -1 3 389.368 2.044 20 30 GEEDHM CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736628928 598867299 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2.116 20 30 GEEDHM CC(=O)N(CCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000735460547 598927615 /nfs/dbraw/zinc/92/76/15/598927615.db2.gz JGAQTSCQMLRDQG-UHFFFAOYSA-N -1 3 389.419 2.116 20 30 GEEDHM CC(C)Cn1ncc2cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cnc21 ZINC000735850722 598929263 /nfs/dbraw/zinc/92/92/63/598929263.db2.gz FUWHJCCUFDLLMK-UHFFFAOYSA-N -1 3 387.407 2.391 20 30 GEEDHM CC(C)Cn1ncc2cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cnc21 ZINC000735850722 598929265 /nfs/dbraw/zinc/92/92/65/598929265.db2.gz FUWHJCCUFDLLMK-UHFFFAOYSA-N -1 3 387.407 2.391 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735388031 598962237 /nfs/dbraw/zinc/96/22/37/598962237.db2.gz PPFMVLDPMGJNLM-AWEZNQCLSA-N -1 3 376.420 2.439 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735388031 598962239 /nfs/dbraw/zinc/96/22/39/598962239.db2.gz PPFMVLDPMGJNLM-AWEZNQCLSA-N -1 3 376.420 2.439 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735381371 599095020 /nfs/dbraw/zinc/09/50/20/599095020.db2.gz VAAVWTCSVNEPAK-LBPRGKRZSA-N -1 3 381.367 2.424 20 30 GEEDHM O=C(COc1ccccc1C=NNc1ccc(-c2nn[n-]n2)cc1)NCC1CC1 ZINC000737929651 599156800 /nfs/dbraw/zinc/15/68/00/599156800.db2.gz GBAPPZVEWITWEZ-UHFFFAOYSA-N -1 3 391.435 2.218 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccn(-c2ccc(F)cc2)n1 ZINC000737705719 599162635 /nfs/dbraw/zinc/16/26/35/599162635.db2.gz QJQJKCUJDDLXAX-UHFFFAOYSA-N -1 3 393.411 2.333 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccn(-c2ccc(F)cc2)n1 ZINC000737705719 599162637 /nfs/dbraw/zinc/16/26/37/599162637.db2.gz QJQJKCUJDDLXAX-UHFFFAOYSA-N -1 3 393.411 2.333 20 30 GEEDHM N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822825302 599176926 /nfs/dbraw/zinc/17/69/26/599176926.db2.gz BAFRUIXQLDHVCK-SFHVURJKSA-N -1 3 391.410 2.163 20 30 GEEDHM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735633341 599193194 /nfs/dbraw/zinc/19/31/94/599193194.db2.gz OWDWOYKTNHKVJY-HIFRSBDPSA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735633341 599193195 /nfs/dbraw/zinc/19/31/95/599193195.db2.gz OWDWOYKTNHKVJY-HIFRSBDPSA-N -1 3 397.439 2.370 20 30 GEEDHM N#Cc1cc(NC(=O)c2cc(N3CCCC3=O)ccc2F)ccc1-c1nnn[n-]1 ZINC000737708221 599196576 /nfs/dbraw/zinc/19/65/76/599196576.db2.gz DLHRAIXXTRJHSI-UHFFFAOYSA-N -1 3 391.366 2.257 20 30 GEEDHM N#Cc1cc(NC(=O)c2cc(N3CCCC3=O)ccc2F)ccc1-c1nn[n-]n1 ZINC000737708221 599196578 /nfs/dbraw/zinc/19/65/78/599196578.db2.gz DLHRAIXXTRJHSI-UHFFFAOYSA-N -1 3 391.366 2.257 20 30 GEEDHM COCCOCc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1F ZINC000737010465 599197203 /nfs/dbraw/zinc/19/72/03/599197203.db2.gz CVAWKBVDOPCPET-UHFFFAOYSA-N -1 3 396.382 2.293 20 30 GEEDHM COCCOCc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1F ZINC000737010465 599197206 /nfs/dbraw/zinc/19/72/06/599197206.db2.gz CVAWKBVDOPCPET-UHFFFAOYSA-N -1 3 396.382 2.293 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)cc1-c1nnn[n-]1 ZINC000737716020 599194363 /nfs/dbraw/zinc/19/43/63/599194363.db2.gz KJHVOHIWMXHENK-INIZCTEOSA-N -1 3 395.329 2.148 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)cc1-c1nn[n-]n1 ZINC000737716020 599194366 /nfs/dbraw/zinc/19/43/66/599194366.db2.gz KJHVOHIWMXHENK-INIZCTEOSA-N -1 3 395.329 2.148 20 30 GEEDHM COc1ccc(COCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737097505 599199579 /nfs/dbraw/zinc/19/95/79/599199579.db2.gz LGYNIXQCTVHMBE-UHFFFAOYSA-N -1 3 378.392 2.292 20 30 GEEDHM COc1ccc(COCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737097505 599199582 /nfs/dbraw/zinc/19/95/82/599199582.db2.gz LGYNIXQCTVHMBE-UHFFFAOYSA-N -1 3 378.392 2.292 20 30 GEEDHM C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)cc2C1=O ZINC000819750614 607269425 /nfs/dbraw/zinc/26/94/25/607269425.db2.gz HEOKPQBKWHDCHR-UHFFFAOYSA-N -1 3 388.387 2.209 20 30 GEEDHM C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)cc2C1=O ZINC000819750614 607269426 /nfs/dbraw/zinc/26/94/26/607269426.db2.gz HEOKPQBKWHDCHR-UHFFFAOYSA-N -1 3 388.387 2.209 20 30 GEEDHM Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000737390914 598274273 /nfs/dbraw/zinc/27/42/73/598274273.db2.gz SZUHJBQQIDFXOR-NSHDSACASA-N -1 3 394.464 2.452 20 30 GEEDHM Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000737390914 598274275 /nfs/dbraw/zinc/27/42/75/598274275.db2.gz SZUHJBQQIDFXOR-NSHDSACASA-N -1 3 394.464 2.452 20 30 GEEDHM N#Cc1ccc(NC(=S)NCCNc2ncccc2-c2nnn[n-]2)cc1Cl ZINC000737719313 598322935 /nfs/dbraw/zinc/32/29/35/598322935.db2.gz OZFYPSAFOKAAQZ-UHFFFAOYSA-N -1 3 399.871 2.185 20 30 GEEDHM N#Cc1ccc(NC(=S)NCCNc2ncccc2-c2nn[n-]n2)cc1Cl ZINC000737719313 598322937 /nfs/dbraw/zinc/32/29/37/598322937.db2.gz OZFYPSAFOKAAQZ-UHFFFAOYSA-N -1 3 399.871 2.185 20 30 GEEDHM N#CC1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737677411 598332247 /nfs/dbraw/zinc/33/22/47/598332247.db2.gz CLIPIVUFWROFHW-UHFFFAOYSA-N -1 3 378.392 2.414 20 30 GEEDHM N#CC1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737677411 598332249 /nfs/dbraw/zinc/33/22/49/598332249.db2.gz CLIPIVUFWROFHW-UHFFFAOYSA-N -1 3 378.392 2.414 20 30 GEEDHM C#CCOc1cccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735380287 598494399 /nfs/dbraw/zinc/49/43/99/598494399.db2.gz INHCGOUEROUSLO-IBGZPJMESA-N -1 3 388.431 2.486 20 30 GEEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000736634570 598534721 /nfs/dbraw/zinc/53/47/21/598534721.db2.gz LWRONKVAYSQYAD-UHFFFAOYSA-N -1 3 393.407 2.489 20 30 GEEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000736634570 598534723 /nfs/dbraw/zinc/53/47/23/598534723.db2.gz LWRONKVAYSQYAD-UHFFFAOYSA-N -1 3 393.407 2.489 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ccn(-c3cccc(F)c3)n2)nc1N ZINC000737704030 598569706 /nfs/dbraw/zinc/56/97/06/598569706.db2.gz GQWYXVJGIIDXOY-UHFFFAOYSA-N -1 3 393.411 2.333 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ccn(-c3cccc(F)c3)n2)nc1N ZINC000737704030 598569708 /nfs/dbraw/zinc/56/97/08/598569708.db2.gz GQWYXVJGIIDXOY-UHFFFAOYSA-N -1 3 393.411 2.333 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc(N3CCCC3)nc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202189 598639188 /nfs/dbraw/zinc/63/91/88/598639188.db2.gz LCJVCKIQEPMPJJ-VOTSOKGWSA-N -1 3 390.451 2.209 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc(N3CCCC3)nc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202189 598639190 /nfs/dbraw/zinc/63/91/90/598639190.db2.gz LCJVCKIQEPMPJJ-VOTSOKGWSA-N -1 3 390.451 2.209 20 30 GEEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000736637495 598654579 /nfs/dbraw/zinc/65/45/79/598654579.db2.gz QLGSNLMFOJEKPI-UHFFFAOYSA-N -1 3 378.392 2.349 20 30 GEEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000736637495 598654580 /nfs/dbraw/zinc/65/45/80/598654580.db2.gz QLGSNLMFOJEKPI-UHFFFAOYSA-N -1 3 378.392 2.349 20 30 GEEDHM C=CCN(Cc1ccc(F)cc1-c1nnn[n-]1)S(=O)(=O)c1cccs1 ZINC000735419575 598673676 /nfs/dbraw/zinc/67/36/76/598673676.db2.gz WFUONJNRPFTSAV-UHFFFAOYSA-N -1 3 379.442 2.444 20 30 GEEDHM C=CCN(Cc1ccc(F)cc1-c1nn[n-]n1)S(=O)(=O)c1cccs1 ZINC000735419575 598673678 /nfs/dbraw/zinc/67/36/78/598673678.db2.gz WFUONJNRPFTSAV-UHFFFAOYSA-N -1 3 379.442 2.444 20 30 GEEDHM Cc1cc(F)ccc1N(CC(=O)NCCC#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737261886 598703848 /nfs/dbraw/zinc/70/38/48/598703848.db2.gz BVRCZQBCMUOMTQ-UHFFFAOYSA-N -1 3 393.426 2.351 20 30 GEEDHM Cc1cc(F)ccc1N(CC(=O)NCCC#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737261886 598703849 /nfs/dbraw/zinc/70/38/49/598703849.db2.gz BVRCZQBCMUOMTQ-UHFFFAOYSA-N -1 3 393.426 2.351 20 30 GEEDHM C#Cc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)cn1 ZINC000735390045 598735642 /nfs/dbraw/zinc/73/56/42/598735642.db2.gz NNPCGZDORCEMSK-UHFFFAOYSA-N -1 3 386.337 2.448 20 30 GEEDHM C#Cc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)cn1 ZINC000735390045 598735643 /nfs/dbraw/zinc/73/56/43/598735643.db2.gz NNPCGZDORCEMSK-UHFFFAOYSA-N -1 3 386.337 2.448 20 30 GEEDHM N#C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCN1C1CC1 ZINC000737680264 598755295 /nfs/dbraw/zinc/75/52/95/598755295.db2.gz ZNPUJMLHACHOFA-INIZCTEOSA-N -1 3 399.458 2.346 20 30 GEEDHM N#C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCN1C1CC1 ZINC000737680264 598755296 /nfs/dbraw/zinc/75/52/96/598755296.db2.gz ZNPUJMLHACHOFA-INIZCTEOSA-N -1 3 399.458 2.346 20 30 GEEDHM C[C@@H](C#N)CN(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000735505849 598760226 /nfs/dbraw/zinc/76/02/26/598760226.db2.gz ULJMMSYRKKQRCJ-RYUDHWBXSA-N -1 3 387.513 2.473 20 30 GEEDHM C[C@@H](C#N)CN(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000735505849 598760227 /nfs/dbraw/zinc/76/02/27/598760227.db2.gz ULJMMSYRKKQRCJ-RYUDHWBXSA-N -1 3 387.513 2.473 20 30 GEEDHM NC(=NOCCOc1ccc(-c2nn[n-]n2)cc1)c1nccc2ccccc21 ZINC000737730861 598819614 /nfs/dbraw/zinc/81/96/14/598819614.db2.gz NEUHRMXJUKTGND-UHFFFAOYSA-N -1 3 375.392 2.131 20 30 GEEDHM CC(C)Oc1ccc(NCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000820173609 607372163 /nfs/dbraw/zinc/37/21/63/607372163.db2.gz JPXWSENOWAZRSI-UHFFFAOYSA-N -1 3 391.435 2.254 20 30 GEEDHM CC(C)Oc1ccc(NCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000820173609 607372165 /nfs/dbraw/zinc/37/21/65/607372165.db2.gz JPXWSENOWAZRSI-UHFFFAOYSA-N -1 3 391.435 2.254 20 30 GEEDHM CC(C)Oc1ccc(NCC(=O)NCc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000820174712 607373120 /nfs/dbraw/zinc/37/31/20/607373120.db2.gz WNJHHLHHQFDNIR-UHFFFAOYSA-N -1 3 391.435 2.254 20 30 GEEDHM CC(C)Oc1ccc(NCC(=O)NCc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000820174712 607373122 /nfs/dbraw/zinc/37/31/22/607373122.db2.gz WNJHHLHHQFDNIR-UHFFFAOYSA-N -1 3 391.435 2.254 20 30 GEEDHM COc1cc(C)cc2c1OCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000737041543 599462680 /nfs/dbraw/zinc/46/26/80/599462680.db2.gz WHJSBBLGYDTETK-QPEQYQDCSA-N -1 3 388.387 2.490 20 30 GEEDHM COc1cc(C)cc2c1OCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000737041543 599462684 /nfs/dbraw/zinc/46/26/84/599462684.db2.gz WHJSBBLGYDTETK-QPEQYQDCSA-N -1 3 388.387 2.490 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)N[C@](CC)(C(C)C)C1=O ZINC000735425785 599576538 /nfs/dbraw/zinc/57/65/38/599576538.db2.gz GWQGZVQBPGABMP-HXUWFJFHSA-N -1 3 397.483 2.169 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)N[C@](CC)(C(C)C)C1=O ZINC000735425785 599576539 /nfs/dbraw/zinc/57/65/39/599576539.db2.gz GWQGZVQBPGABMP-HXUWFJFHSA-N -1 3 397.483 2.169 20 30 GEEDHM C=CCCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000735412677 599593446 /nfs/dbraw/zinc/59/34/46/599593446.db2.gz IJOJSLDMCJCHJP-UHFFFAOYSA-N -1 3 375.376 2.472 20 30 GEEDHM C#CCCCNC(=O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819693160 599613545 /nfs/dbraw/zinc/61/35/45/599613545.db2.gz ODBHRSQMSSJSAW-UHFFFAOYSA-N -1 3 390.403 2.127 20 30 GEEDHM C#CCCCNC(=O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819693160 599613547 /nfs/dbraw/zinc/61/35/47/599613547.db2.gz ODBHRSQMSSJSAW-UHFFFAOYSA-N -1 3 390.403 2.127 20 30 GEEDHM C#CCN(CC#CC)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000819697866 599640984 /nfs/dbraw/zinc/64/09/84/599640984.db2.gz MPZQCIAUUAIPGP-UHFFFAOYSA-N -1 3 393.495 2.297 20 30 GEEDHM C#CCN(CC#CC)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000819697866 599640985 /nfs/dbraw/zinc/64/09/85/599640985.db2.gz MPZQCIAUUAIPGP-UHFFFAOYSA-N -1 3 393.495 2.297 20 30 GEEDHM C#CCN1CCC(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000736079020 599837159 /nfs/dbraw/zinc/83/71/59/599837159.db2.gz FXKZIUUGVICQEJ-SFHVURJKSA-N -1 3 393.281 2.210 20 30 GEEDHM CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000821937900 607459467 /nfs/dbraw/zinc/45/94/67/607459467.db2.gz SJWLAZDVCQRKME-XQRVVYSFSA-N -1 3 390.371 2.445 20 30 GEEDHM CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000821937900 607459468 /nfs/dbraw/zinc/45/94/68/607459468.db2.gz SJWLAZDVCQRKME-XQRVVYSFSA-N -1 3 390.371 2.445 20 30 GEEDHM CCc1cnc(CN(C(C)=O)[C@H]2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000830290301 601028452 /nfs/dbraw/zinc/02/84/52/601028452.db2.gz LBOIEMFKSSXILO-PXNSSMCTSA-N -1 3 396.447 2.357 20 30 GEEDHM N#Cc1ccc(CC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000833073106 601733150 /nfs/dbraw/zinc/73/31/50/601733150.db2.gz VRDFTMHYCLMWDN-JOCHJYFZSA-N -1 3 377.444 2.336 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824640511 607586446 /nfs/dbraw/zinc/58/64/46/607586446.db2.gz KCDYCBOFPBZKLT-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824640511 607586447 /nfs/dbraw/zinc/58/64/47/607586447.db2.gz KCDYCBOFPBZKLT-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825399049 607597322 /nfs/dbraw/zinc/59/73/22/607597322.db2.gz HGPHGUCQPPNOIH-VIFPVBQESA-N -1 3 388.375 2.056 20 30 GEEDHM Cc1cccc(S(=O)(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1C#N ZINC000826301107 607600886 /nfs/dbraw/zinc/60/08/86/607600886.db2.gz RCXURJOPWQZIDF-UHFFFAOYSA-N -1 3 394.460 2.400 20 30 GEEDHM Cc1cccc(S(=O)(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1C#N ZINC000826301107 607600888 /nfs/dbraw/zinc/60/08/88/607600888.db2.gz RCXURJOPWQZIDF-UHFFFAOYSA-N -1 3 394.460 2.400 20 30 GEEDHM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000825893699 603705794 /nfs/dbraw/zinc/70/57/94/603705794.db2.gz AYXFTHYTAFNZNM-KDOFPFPSSA-N -1 3 379.482 2.138 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824641619 607655587 /nfs/dbraw/zinc/65/55/87/607655587.db2.gz XPNDRNKPPLEDGL-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824641619 607655588 /nfs/dbraw/zinc/65/55/88/607655588.db2.gz XPNDRNKPPLEDGL-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM C=CCc1ccc(OC[C@@H](O)CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(OC)c1 ZINC000823522153 603970325 /nfs/dbraw/zinc/97/03/25/603970325.db2.gz UKGJVOGEWWWJOK-SQNIBIBYSA-N -1 3 390.480 2.380 20 30 GEEDHM N#CCC[C@@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000826381565 607708076 /nfs/dbraw/zinc/70/80/76/607708076.db2.gz QEMALDUNCFTDDF-MRXNPFEDSA-N -1 3 391.439 2.018 20 30 GEEDHM N#CCC[C@@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000826381565 607708077 /nfs/dbraw/zinc/70/80/77/607708077.db2.gz QEMALDUNCFTDDF-MRXNPFEDSA-N -1 3 391.439 2.018 20 30 GEEDHM C[C@](CNC(=O)[O-])(NCc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CC1 ZINC000824952969 605164215 /nfs/dbraw/zinc/16/42/15/605164215.db2.gz SDKCUWYUZQCBKZ-VBKZILBWSA-N -1 3 379.420 2.250 20 30 GEEDHM N#CC1(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCOCC1 ZINC000826380249 607769601 /nfs/dbraw/zinc/76/96/01/607769601.db2.gz SIALMPIQXROJIB-UHFFFAOYSA-N -1 3 381.421 2.249 20 30 GEEDHM N#CC1(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCOCC1 ZINC000826380249 607769602 /nfs/dbraw/zinc/76/96/02/607769602.db2.gz SIALMPIQXROJIB-UHFFFAOYSA-N -1 3 381.421 2.249 20 30 GEEDHM O=C([O-])N[C@@H]1CCCC1=NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000834171577 605857974 /nfs/dbraw/zinc/85/79/74/605857974.db2.gz ZNCUYGVFRLUGJQ-MRXNPFEDSA-N -1 3 389.525 2.291 20 30 GEEDHM N#Cc1cc2ccccc2nc1N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000822823212 606035242 /nfs/dbraw/zinc/03/52/42/606035242.db2.gz MVDQBMSJLYFXIM-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cc2ccccc2nc1N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000822823212 606035247 /nfs/dbraw/zinc/03/52/47/606035247.db2.gz MVDQBMSJLYFXIM-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)s1 ZINC000822825760 606135045 /nfs/dbraw/zinc/13/50/45/606135045.db2.gz OEOPMMGLALKCFA-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM N#Cc1ccc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)s1 ZINC000822825760 606135046 /nfs/dbraw/zinc/13/50/46/606135046.db2.gz OEOPMMGLALKCFA-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM O=c1c2c3c(sc2ncn1N=Cc1cc(-c2nnn[n-]2)cs1)CCCC3 ZINC000823665611 606205231 /nfs/dbraw/zinc/20/52/31/606205231.db2.gz SDXXWRFDEJSCOL-UHFFFAOYSA-N -1 3 383.462 2.461 20 30 GEEDHM O=c1c2c3c(sc2ncn1N=Cc1cc(-c2nn[n-]n2)cs1)CCCC3 ZINC000823665611 606205234 /nfs/dbraw/zinc/20/52/34/606205234.db2.gz SDXXWRFDEJSCOL-UHFFFAOYSA-N -1 3 383.462 2.461 20 30 GEEDHM CN1c2ccccc2C(C)(C)C1=CC(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821619120 606235678 /nfs/dbraw/zinc/23/56/78/606235678.db2.gz KGXDYRYRILQULJ-RQZCQDPDSA-N -1 3 392.419 2.232 20 30 GEEDHM CN1c2ccccc2C(C)(C)C1=CC(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821619120 606235680 /nfs/dbraw/zinc/23/56/80/606235680.db2.gz KGXDYRYRILQULJ-RQZCQDPDSA-N -1 3 392.419 2.232 20 30 GEEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000822801619 606300974 /nfs/dbraw/zinc/30/09/74/606300974.db2.gz LCDDCHVTVJJFSF-WFASDCNBSA-N -1 3 378.392 2.461 20 30 GEEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000822801619 606300976 /nfs/dbraw/zinc/30/09/76/606300976.db2.gz LCDDCHVTVJJFSF-WFASDCNBSA-N -1 3 378.392 2.461 20 30 GEEDHM CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821610051 606315703 /nfs/dbraw/zinc/31/57/03/606315703.db2.gz YAFFVOHDVWKRPR-OAHLLOKOSA-N -1 3 379.449 2.037 20 30 GEEDHM CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821610051 606315705 /nfs/dbraw/zinc/31/57/05/606315705.db2.gz YAFFVOHDVWKRPR-OAHLLOKOSA-N -1 3 379.449 2.037 20 30 GEEDHM C=CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000819729755 606341644 /nfs/dbraw/zinc/34/16/44/606341644.db2.gz MGWSNBQHAPVZBE-UHFFFAOYSA-N -1 3 387.387 2.472 20 30 GEEDHM C=CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000819729755 606341645 /nfs/dbraw/zinc/34/16/45/606341645.db2.gz MGWSNBQHAPVZBE-UHFFFAOYSA-N -1 3 387.387 2.472 20 30 GEEDHM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000819758621 606373284 /nfs/dbraw/zinc/37/32/84/606373284.db2.gz BXSZHTXQXJNNBT-UHFFFAOYSA-N -1 3 387.377 2.271 20 30 GEEDHM CS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821936543 606390682 /nfs/dbraw/zinc/39/06/82/606390682.db2.gz BOXDSIHHZRYNPQ-SOFGYWHQSA-N -1 3 375.435 2.196 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000822801422 606432693 /nfs/dbraw/zinc/43/26/93/606432693.db2.gz JDQODISHRJMVKG-IAGOWNOFSA-N -1 3 394.460 2.327 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000822801422 606432694 /nfs/dbraw/zinc/43/26/94/606432694.db2.gz JDQODISHRJMVKG-IAGOWNOFSA-N -1 3 394.460 2.327 20 30 GEEDHM C#CCN(CC#C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000819698036 606450851 /nfs/dbraw/zinc/45/08/51/606450851.db2.gz QJEADEVGJSJRTQ-UHFFFAOYSA-N -1 3 382.493 2.094 20 30 GEEDHM N#Cc1ccc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000822823396 606550514 /nfs/dbraw/zinc/55/05/14/606550514.db2.gz PJKWMVJGVPEJSK-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM N#Cc1csc(C(=O)OCCCOC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822845652 606565980 /nfs/dbraw/zinc/56/59/80/606565980.db2.gz AKJZQZXGPONOAL-UHFFFAOYSA-N -1 3 389.418 2.265 20 30 GEEDHM N#Cc1csc(C(=O)OCCCOC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822845652 606565981 /nfs/dbraw/zinc/56/59/81/606565981.db2.gz AKJZQZXGPONOAL-UHFFFAOYSA-N -1 3 389.418 2.265 20 30 GEEDHM N#Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1N1CCC(O)CC1 ZINC000822823423 606585436 /nfs/dbraw/zinc/58/54/36/606585436.db2.gz PTSIJQARRNVDHT-UHFFFAOYSA-N -1 3 395.448 2.013 20 30 GEEDHM N#Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1N1CCC(O)CC1 ZINC000822823423 606585437 /nfs/dbraw/zinc/58/54/37/606585437.db2.gz PTSIJQARRNVDHT-UHFFFAOYSA-N -1 3 395.448 2.013 20 30 GEEDHM N#Cc1ccccc1N1CCC(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822842809 606594717 /nfs/dbraw/zinc/59/47/17/606594717.db2.gz ZVCBHLBWGHWUHX-UHFFFAOYSA-N -1 3 387.447 2.066 20 30 GEEDHM N#Cc1ccccc1N1CCC(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822842809 606594719 /nfs/dbraw/zinc/59/47/19/606594719.db2.gz ZVCBHLBWGHWUHX-UHFFFAOYSA-N -1 3 387.447 2.066 20 30 GEEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000821310564 606600547 /nfs/dbraw/zinc/60/05/47/606600547.db2.gz ZPOWZLKWYKBYOA-UHFFFAOYSA-N -1 3 382.472 2.395 20 30 GEEDHM C=CCNC(=O)c1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000819751300 606671497 /nfs/dbraw/zinc/67/14/97/606671497.db2.gz TVVJFBCHRMFRHV-UHFFFAOYSA-N -1 3 384.346 2.313 20 30 GEEDHM C=CCNC(=O)c1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000819751300 606671498 /nfs/dbraw/zinc/67/14/98/606671498.db2.gz TVVJFBCHRMFRHV-UHFFFAOYSA-N -1 3 384.346 2.313 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC000821648159 606757026 /nfs/dbraw/zinc/75/70/26/606757026.db2.gz CPRNESQIOPWBRM-HNNXBMFYSA-N -1 3 399.313 2.088 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC000821648159 606757028 /nfs/dbraw/zinc/75/70/28/606757028.db2.gz CPRNESQIOPWBRM-HNNXBMFYSA-N -1 3 399.313 2.088 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000821648811 606757058 /nfs/dbraw/zinc/75/70/58/606757058.db2.gz UBYOBMWNBWUESL-HNNXBMFYSA-N -1 3 399.313 2.088 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000821648811 606757061 /nfs/dbraw/zinc/75/70/61/606757061.db2.gz UBYOBMWNBWUESL-HNNXBMFYSA-N -1 3 399.313 2.088 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCOC[C@H]2C#N)cc1 ZINC000822135981 606796559 /nfs/dbraw/zinc/79/65/59/606796559.db2.gz HTDPCVGGJSEYRB-MRXNPFEDSA-N -1 3 390.403 2.332 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCOC[C@H]2C#N)cc1 ZINC000822135981 606796561 /nfs/dbraw/zinc/79/65/61/606796561.db2.gz HTDPCVGGJSEYRB-MRXNPFEDSA-N -1 3 390.403 2.332 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000819743854 606800402 /nfs/dbraw/zinc/80/04/02/606800402.db2.gz RCQKDENFFZSIPM-UHFFFAOYSA-N -1 3 387.399 2.162 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000819743854 606800405 /nfs/dbraw/zinc/80/04/05/606800405.db2.gz RCQKDENFFZSIPM-UHFFFAOYSA-N -1 3 387.399 2.162 20 30 GEEDHM N#Cc1cc(C#N)c(SCCCOc2cccc(-c3nnn[n-]3)c2)nc1N ZINC000822819599 606837884 /nfs/dbraw/zinc/83/78/84/606837884.db2.gz XNLGJEQHVXPRPT-UHFFFAOYSA-N -1 3 378.421 2.148 20 30 GEEDHM N#Cc1cc(C#N)c(SCCCOc2cccc(-c3nn[n-]n3)c2)nc1N ZINC000822819599 606837886 /nfs/dbraw/zinc/83/78/86/606837886.db2.gz XNLGJEQHVXPRPT-UHFFFAOYSA-N -1 3 378.421 2.148 20 30 GEEDHM C#Cc1cccc(NC(=O)CN(C)CCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819709901 606886175 /nfs/dbraw/zinc/88/61/75/606886175.db2.gz SYNFGTFHBCRKLN-UHFFFAOYSA-N -1 3 390.447 2.187 20 30 GEEDHM N#Cc1c(F)cccc1N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000822819394 606964612 /nfs/dbraw/zinc/96/46/12/606964612.db2.gz RPMOROFFEUJQKU-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1c(F)cccc1N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000822819394 606964613 /nfs/dbraw/zinc/96/46/13/606964613.db2.gz RPMOROFFEUJQKU-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1ccc(C#N)cc1OC ZINC000821304553 607101873 /nfs/dbraw/zinc/10/18/73/607101873.db2.gz KNFBOWGXPPWTOJ-UHFFFAOYSA-N -1 3 393.407 2.196 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(CCOC)nn1C ZINC000819745909 607203890 /nfs/dbraw/zinc/20/38/90/607203890.db2.gz UMXJLBFRMUMNGU-UHFFFAOYSA-N -1 3 396.455 2.009 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(CCOC)nn1C ZINC000819745909 607203891 /nfs/dbraw/zinc/20/38/91/607203891.db2.gz UMXJLBFRMUMNGU-UHFFFAOYSA-N -1 3 396.455 2.009 20 30 GEEDHM C[C@@H](C#N)CN(C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000824035540 607824004 /nfs/dbraw/zinc/82/40/04/607824004.db2.gz ZLOWADNIZGAMDU-ZDUSSCGKSA-N -1 3 381.440 2.126 20 30 GEEDHM C[C@@H](C#N)CN(C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000824035540 607824005 /nfs/dbraw/zinc/82/40/05/607824005.db2.gz ZLOWADNIZGAMDU-ZDUSSCGKSA-N -1 3 381.440 2.126 20 30 GEEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)ccc21 ZINC000826010489 607843089 /nfs/dbraw/zinc/84/30/89/607843089.db2.gz KYRQSKXEFAINER-ALCCZGGFSA-N -1 3 399.414 2.320 20 30 GEEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)ccc21 ZINC000826010489 607843090 /nfs/dbraw/zinc/84/30/90/607843090.db2.gz KYRQSKXEFAINER-ALCCZGGFSA-N -1 3 399.414 2.320 20 30 GEEDHM O=c1c2cc(Br)ccc2ncn1N=Cc1ccccc1-c1nnn[n-]1 ZINC000826501636 607886463 /nfs/dbraw/zinc/88/64/63/607886463.db2.gz ZZQUODNYZNTESC-UHFFFAOYSA-N -1 3 396.208 2.221 20 30 GEEDHM O=c1c2cc(Br)ccc2ncn1N=Cc1ccccc1-c1nn[n-]n1 ZINC000826501636 607886464 /nfs/dbraw/zinc/88/64/64/607886464.db2.gz ZZQUODNYZNTESC-UHFFFAOYSA-N -1 3 396.208 2.221 20 30 GEEDHM CS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826223772 607916981 /nfs/dbraw/zinc/91/69/81/607916981.db2.gz ZIKPZAOALJBCPK-YCRREMRBSA-N -1 3 387.396 2.273 20 30 GEEDHM CS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826223772 607916982 /nfs/dbraw/zinc/91/69/82/607916982.db2.gz ZIKPZAOALJBCPK-YCRREMRBSA-N -1 3 387.396 2.273 20 30 GEEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000826158119 607970484 /nfs/dbraw/zinc/97/04/84/607970484.db2.gz AZAJWUOPFZJTNQ-UHFFFAOYSA-N -1 3 376.420 2.222 20 30 GEEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000826158119 607970485 /nfs/dbraw/zinc/97/04/85/607970485.db2.gz AZAJWUOPFZJTNQ-UHFFFAOYSA-N -1 3 376.420 2.222 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](C)CC(=O)OCC ZINC000823909848 608033215 /nfs/dbraw/zinc/03/32/15/608033215.db2.gz SAYKHYTXRKXFMN-AWEZNQCLSA-N -1 3 386.456 2.154 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)CC(=O)OCC ZINC000823909848 608033216 /nfs/dbraw/zinc/03/32/16/608033216.db2.gz SAYKHYTXRKXFMN-AWEZNQCLSA-N -1 3 386.456 2.154 20 30 GEEDHM O=C(NCC#Cc1ccccc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826433074 608061472 /nfs/dbraw/zinc/06/14/72/608061472.db2.gz SXGFANBTFPGPRO-IBGZPJMESA-N -1 3 388.431 2.001 20 30 GEEDHM O=C(NCC#Cc1ccccc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826433074 608061473 /nfs/dbraw/zinc/06/14/73/608061473.db2.gz SXGFANBTFPGPRO-IBGZPJMESA-N -1 3 388.431 2.001 20 30 GEEDHM COc1ccc(C#N)cc1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826186679 608071838 /nfs/dbraw/zinc/07/18/38/608071838.db2.gz GXHQHLKMACVRLC-IBGZPJMESA-N -1 3 376.420 2.320 20 30 GEEDHM COc1ccc(C#N)cc1CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826186679 608071839 /nfs/dbraw/zinc/07/18/39/608071839.db2.gz GXHQHLKMACVRLC-IBGZPJMESA-N -1 3 376.420 2.320 20 30 GEEDHM CC(=NNC(=S)NCCc1cccs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953815 608094423 /nfs/dbraw/zinc/09/44/23/608094423.db2.gz RGEKIROGWBKBOO-UHFFFAOYSA-N -1 3 377.524 2.421 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000823909587 608120186 /nfs/dbraw/zinc/12/01/86/608120186.db2.gz KHGPROZZHAZFEN-HNNXBMFYSA-N -1 3 393.447 2.341 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000823909587 608120187 /nfs/dbraw/zinc/12/01/87/608120187.db2.gz KHGPROZZHAZFEN-HNNXBMFYSA-N -1 3 393.447 2.341 20 30 GEEDHM C#CCOCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000823856675 608133507 /nfs/dbraw/zinc/13/35/07/608133507.db2.gz VZNKPOSALOOURS-UHFFFAOYSA-N -1 3 377.404 2.347 20 30 GEEDHM C#CCOCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000823856675 608133508 /nfs/dbraw/zinc/13/35/08/608133508.db2.gz VZNKPOSALOOURS-UHFFFAOYSA-N -1 3 377.404 2.347 20 30 GEEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(CC#N)c1 ZINC000826161779 608137473 /nfs/dbraw/zinc/13/74/73/608137473.db2.gz ZGNIRDXHVIGNQS-UHFFFAOYSA-N -1 3 378.392 2.210 20 30 GEEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(CC#N)c1 ZINC000826161779 608137474 /nfs/dbraw/zinc/13/74/74/608137474.db2.gz ZGNIRDXHVIGNQS-UHFFFAOYSA-N -1 3 378.392 2.210 20 30 GEEDHM N#CCCCNC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826381558 608143194 /nfs/dbraw/zinc/14/31/94/608143194.db2.gz QCFXVCFYBQIYTA-UHFFFAOYSA-N -1 3 391.391 2.017 20 30 GEEDHM N#CCCCNC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826381558 608143195 /nfs/dbraw/zinc/14/31/95/608143195.db2.gz QCFXVCFYBQIYTA-UHFFFAOYSA-N -1 3 391.391 2.017 20 30 GEEDHM COC[C@H](C#N)OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826147597 608146205 /nfs/dbraw/zinc/14/62/05/608146205.db2.gz CVJDBNYTKLLFIV-INIZCTEOSA-N -1 3 379.376 2.141 20 30 GEEDHM COC[C@H](C#N)OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826147597 608146206 /nfs/dbraw/zinc/14/62/06/608146206.db2.gz CVJDBNYTKLLFIV-INIZCTEOSA-N -1 3 379.376 2.141 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](O)c1cccc(OC)c1 ZINC000823909434 608196541 /nfs/dbraw/zinc/19/65/41/608196541.db2.gz DGJGYSQQOWDVLM-SFHVURJKSA-N -1 3 379.420 2.124 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](O)c1cccc(OC)c1 ZINC000823909434 608196543 /nfs/dbraw/zinc/19/65/43/608196543.db2.gz DGJGYSQQOWDVLM-SFHVURJKSA-N -1 3 379.420 2.124 20 30 GEEDHM CCn1c2ccc(C#N)cc2nc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000825797120 608206672 /nfs/dbraw/zinc/20/66/72/608206672.db2.gz UWIVVXZACJBNDK-UHFFFAOYSA-N -1 3 393.798 2.409 20 30 GEEDHM CCn1c2ccc(C#N)cc2nc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000825797120 608206673 /nfs/dbraw/zinc/20/66/73/608206673.db2.gz UWIVVXZACJBNDK-UHFFFAOYSA-N -1 3 393.798 2.409 20 30 GEEDHM C=C(CC)CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823878153 608289404 /nfs/dbraw/zinc/28/94/04/608289404.db2.gz RBCCXNUFERCTMA-OAHLLOKOSA-N -1 3 377.470 2.003 20 30 GEEDHM C=C(CC)CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823878153 608289406 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ZINC000331600584 532841599 /nfs/dbraw/zinc/84/15/99/532841599.db2.gz ZEFMPTZJBMQHBR-IINYFYTJSA-N -1 3 384.299 2.082 20 30 GEEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)Cn1cccn1 ZINC000416376207 532873080 /nfs/dbraw/zinc/87/30/80/532873080.db2.gz SNNJPCANVFDUOQ-NSHDSACASA-N -1 3 383.271 2.132 20 30 GEEDHM N#CCCCCNC(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000290145529 532873660 /nfs/dbraw/zinc/87/36/60/532873660.db2.gz BXZXBGQCMAUFMQ-UHFFFAOYSA-N -1 3 397.806 2.447 20 30 GEEDHM C=CCN1CCC([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416386414 532874545 /nfs/dbraw/zinc/87/45/45/532874545.db2.gz KQMXFXJVRWSNMB-UHFFFAOYSA-N -1 3 384.299 2.249 20 30 GEEDHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416393472 532875750 /nfs/dbraw/zinc/87/57/50/532875750.db2.gz VKPALZZHBSXNOT-UHFFFAOYSA-N -1 3 384.255 2.447 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)s1 ZINC000367159976 532923194 /nfs/dbraw/zinc/92/31/94/532923194.db2.gz YNVRQYPYFPBOGF-UHFFFAOYSA-N -1 3 398.897 2.184 20 30 GEEDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(c2ccc(Cl)c(C#N)n2)C1 ZINC000367887041 532928421 /nfs/dbraw/zinc/92/84/21/532928421.db2.gz RYZQEGOTANCMOG-JTQLQIEISA-N -1 3 380.861 2.085 20 30 GEEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000736821934 598874508 /nfs/dbraw/zinc/87/45/08/598874508.db2.gz IJEZEUJKGYPBNN-UHFFFAOYSA-N -1 3 388.840 2.212 20 30 GEEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000736821934 598874510 /nfs/dbraw/zinc/87/45/10/598874510.db2.gz IJEZEUJKGYPBNN-UHFFFAOYSA-N -1 3 388.840 2.212 20 30 GEEDHM N#Cc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000737716520 598914578 /nfs/dbraw/zinc/91/45/78/598914578.db2.gz RIBRCANLLIHZAX-UHFFFAOYSA-N -1 3 396.794 2.344 20 30 GEEDHM N#Cc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1-c1nn[n-]n1 ZINC000737716520 598914579 /nfs/dbraw/zinc/91/45/79/598914579.db2.gz RIBRCANLLIHZAX-UHFFFAOYSA-N -1 3 396.794 2.344 20 30 GEEDHM CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735912762 598915185 /nfs/dbraw/zinc/91/51/85/598915185.db2.gz CUYMQXRXSQECPE-UHFFFAOYSA-N -1 3 396.432 2.173 20 30 GEEDHM CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735912762 598915186 /nfs/dbraw/zinc/91/51/86/598915186.db2.gz CUYMQXRXSQECPE-UHFFFAOYSA-N -1 3 396.432 2.173 20 30 GEEDHM N#Cc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1-c1nnn[n-]1 ZINC000737710237 598917609 /nfs/dbraw/zinc/91/76/09/598917609.db2.gz VYDHRIYGQCWIRP-UHFFFAOYSA-N -1 3 381.377 2.377 20 30 GEEDHM N#Cc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1 ZINC000737710237 598917611 /nfs/dbraw/zinc/91/76/11/598917611.db2.gz VYDHRIYGQCWIRP-UHFFFAOYSA-N -1 3 381.377 2.377 20 30 GEEDHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737513433 598919954 /nfs/dbraw/zinc/91/99/54/598919954.db2.gz MVIDRRORFOTJKF-UHFFFAOYSA-N -1 3 378.440 2.389 20 30 GEEDHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737513433 598919957 /nfs/dbraw/zinc/91/99/57/598919957.db2.gz MVIDRRORFOTJKF-UHFFFAOYSA-N -1 3 378.440 2.389 20 30 GEEDHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000735498199 598924496 /nfs/dbraw/zinc/92/44/96/598924496.db2.gz GQKOZBBCHPTFHN-GFCCVEGCSA-N -1 3 376.376 2.347 20 30 GEEDHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000735498199 598924497 /nfs/dbraw/zinc/92/44/97/598924497.db2.gz GQKOZBBCHPTFHN-GFCCVEGCSA-N -1 3 376.376 2.347 20 30 GEEDHM C=CCNc1nnc(SCCOc2ccc(-c3nnn[n-]3)cc2OC)s1 ZINC000735431620 598937734 /nfs/dbraw/zinc/93/77/34/598937734.db2.gz GHDCHBBRCFYOGA-UHFFFAOYSA-N -1 3 391.482 2.496 20 30 GEEDHM C=CCNc1nnc(SCCOc2ccc(-c3nn[n-]n3)cc2OC)s1 ZINC000735431620 598937736 /nfs/dbraw/zinc/93/77/36/598937736.db2.gz GHDCHBBRCFYOGA-UHFFFAOYSA-N -1 3 391.482 2.496 20 30 GEEDHM COC(=O)c1ccc2[nH]cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000821670226 607254413 /nfs/dbraw/zinc/25/44/13/607254413.db2.gz SPIBFKWVRDFFSU-UHFFFAOYSA-N -1 3 375.392 2.258 20 30 GEEDHM COC(=O)c1ccc2[nH]cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000821670226 607254414 /nfs/dbraw/zinc/25/44/14/607254414.db2.gz SPIBFKWVRDFFSU-UHFFFAOYSA-N -1 3 375.392 2.258 20 30 GEEDHM COc1ccc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1NC(C)=O ZINC000821777629 607254511 /nfs/dbraw/zinc/25/45/11/607254511.db2.gz JWVKOBLYXPIVFM-UHFFFAOYSA-N -1 3 379.424 2.348 20 30 GEEDHM COc1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1NC(C)=O ZINC000821777629 607254512 /nfs/dbraw/zinc/25/45/12/607254512.db2.gz JWVKOBLYXPIVFM-UHFFFAOYSA-N -1 3 379.424 2.348 20 30 GEEDHM N#CC1(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCOCC1 ZINC000737678572 599036068 /nfs/dbraw/zinc/03/60/68/599036068.db2.gz KBQREIHDDLPAEN-UHFFFAOYSA-N -1 3 390.403 2.462 20 30 GEEDHM N#CC1(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCOCC1 ZINC000737678572 599036070 /nfs/dbraw/zinc/03/60/70/599036070.db2.gz KBQREIHDDLPAEN-UHFFFAOYSA-N -1 3 390.403 2.462 20 30 GEEDHM N#Cc1ccc(C(F)(F)F)nc1N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC000737711768 599043041 /nfs/dbraw/zinc/04/30/41/599043041.db2.gz KNAXVSPBTCONQJ-UHFFFAOYSA-N -1 3 392.370 2.359 20 30 GEEDHM N#Cc1ccc(C(F)(F)F)nc1N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC000737711768 599043044 /nfs/dbraw/zinc/04/30/44/599043044.db2.gz KNAXVSPBTCONQJ-UHFFFAOYSA-N -1 3 392.370 2.359 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[S@](=O)C(C)(C)C ZINC000735421099 599059695 /nfs/dbraw/zinc/05/96/95/599059695.db2.gz XPJBGDCBWQRDEG-MHZLTWQESA-N -1 3 390.513 2.112 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[S@](=O)C(C)(C)C ZINC000735421099 599059697 /nfs/dbraw/zinc/05/96/97/599059697.db2.gz XPJBGDCBWQRDEG-MHZLTWQESA-N -1 3 390.513 2.112 20 30 GEEDHM COCCN(C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736989251 599116590 /nfs/dbraw/zinc/11/65/90/599116590.db2.gz SQVBZUALYJGTKG-CQSZACIVSA-N -1 3 392.419 2.185 20 30 GEEDHM COc1ccc(C=NNC(=S)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1-c1nnn[n-]1 ZINC000737082542 599126821 /nfs/dbraw/zinc/12/68/21/599126821.db2.gz WZPUQNWKPRUIOP-YWPYICTPSA-N -1 3 387.513 2.498 20 30 GEEDHM COc1ccc(C=NNC(=S)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1-c1nn[n-]n1 ZINC000737082542 599126824 /nfs/dbraw/zinc/12/68/24/599126824.db2.gz WZPUQNWKPRUIOP-YWPYICTPSA-N -1 3 387.513 2.498 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(C(=O)NC)c1 ZINC000735418519 599183628 /nfs/dbraw/zinc/18/36/28/599183628.db2.gz GIQSLYFBEFXKOX-UHFFFAOYSA-N -1 3 376.420 2.055 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(C(=O)NC)c1 ZINC000735418519 599183631 /nfs/dbraw/zinc/18/36/31/599183631.db2.gz GIQSLYFBEFXKOX-UHFFFAOYSA-N -1 3 376.420 2.055 20 30 GEEDHM N#Cc1cc(NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)ccc1-c1nnn[n-]1 ZINC000737709199 599191743 /nfs/dbraw/zinc/19/17/43/599191743.db2.gz LGQAIMVSLTULTC-UHFFFAOYSA-N -1 3 375.323 2.384 20 30 GEEDHM N#Cc1cc(NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)ccc1-c1nn[n-]n1 ZINC000737709199 599191745 /nfs/dbraw/zinc/19/17/45/599191745.db2.gz LGQAIMVSLTULTC-UHFFFAOYSA-N -1 3 375.323 2.384 20 30 GEEDHM N#Cc1ccc(NC(=O)c2ccnc(OCC(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000737718597 599194159 /nfs/dbraw/zinc/19/41/59/599194159.db2.gz KOKWXLKOJBIVAI-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM N#Cc1ccc(NC(=O)c2ccnc(OCC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000737718597 599194160 /nfs/dbraw/zinc/19/41/60/599194160.db2.gz KOKWXLKOJBIVAI-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000737716333 599194785 /nfs/dbraw/zinc/19/47/85/599194785.db2.gz PFCPWOPJNYWIDL-GDBMZVCRSA-N -1 3 388.387 2.252 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1-c1nn[n-]n1 ZINC000737716333 599194788 /nfs/dbraw/zinc/19/47/88/599194788.db2.gz PFCPWOPJNYWIDL-GDBMZVCRSA-N -1 3 388.387 2.252 20 30 GEEDHM N#CCn1c(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc2ccccc21 ZINC000737697539 599214675 /nfs/dbraw/zinc/21/46/75/599214675.db2.gz JHNIVXHSCYOQTM-UHFFFAOYSA-N -1 3 387.403 2.154 20 30 GEEDHM C=CCNC(=O)c1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819751018 599256741 /nfs/dbraw/zinc/25/67/41/599256741.db2.gz LXKBSSQGDOHUMP-UHFFFAOYSA-N -1 3 395.398 2.243 20 30 GEEDHM C=CCNC(=O)c1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819751018 599256743 /nfs/dbraw/zinc/25/67/43/599256743.db2.gz LXKBSSQGDOHUMP-UHFFFAOYSA-N -1 3 395.398 2.243 20 30 GEEDHM N#CCCn1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737695757 599260267 /nfs/dbraw/zinc/26/02/67/599260267.db2.gz WEEHLHNIKZMZNU-UHFFFAOYSA-N -1 3 380.412 2.165 20 30 GEEDHM N#CCCn1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737695757 599260268 /nfs/dbraw/zinc/26/02/68/599260268.db2.gz WEEHLHNIKZMZNU-UHFFFAOYSA-N -1 3 380.412 2.165 20 30 GEEDHM N#CCCN(CC1CC1)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000822806893 607300949 /nfs/dbraw/zinc/30/09/49/607300949.db2.gz VBECQBDMXBJARY-UHFFFAOYSA-N -1 3 381.440 2.128 20 30 GEEDHM N#CCCN(CC1CC1)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000822806893 607300950 /nfs/dbraw/zinc/30/09/50/607300950.db2.gz VBECQBDMXBJARY-UHFFFAOYSA-N -1 3 381.440 2.128 20 30 GEEDHM C[C@@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820366935 599263043 /nfs/dbraw/zinc/26/30/43/599263043.db2.gz QAYTZJINDPGCOH-CYBMUJFWSA-N -1 3 377.408 2.178 20 30 GEEDHM COc1cccc([C@@H](C#N)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1OC ZINC000737122843 598240294 /nfs/dbraw/zinc/24/02/94/598240294.db2.gz WQZZXIRICSOOHM-SIFUEBAJSA-N -1 3 390.403 2.278 20 30 GEEDHM COc1cccc([C@@H](C#N)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1OC ZINC000737122843 598240297 /nfs/dbraw/zinc/24/02/97/598240297.db2.gz WQZZXIRICSOOHM-SIFUEBAJSA-N -1 3 390.403 2.278 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCC(NC(C)=O)CC1 ZINC000735420158 598305070 /nfs/dbraw/zinc/30/50/70/598305070.db2.gz MTARXKABTPBMSY-UHFFFAOYSA-N -1 3 397.483 2.012 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCC(NC(C)=O)CC1 ZINC000735420158 598305073 /nfs/dbraw/zinc/30/50/73/598305073.db2.gz MTARXKABTPBMSY-UHFFFAOYSA-N -1 3 397.483 2.012 20 30 GEEDHM N#Cc1c(F)cccc1Oc1ccc(C(=O)n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737706056 598409523 /nfs/dbraw/zinc/40/95/23/598409523.db2.gz VGSNFNNMESJCOF-UHFFFAOYSA-N -1 3 390.338 2.137 20 30 GEEDHM N#Cc1ccc(N2CCC(Nc3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)nc1 ZINC000737719388 598459187 /nfs/dbraw/zinc/45/91/87/598459187.db2.gz TVTDULMCKMUQQZ-UHFFFAOYSA-N -1 3 387.451 2.098 20 30 GEEDHM N#Cc1ccc(N2CCC(Nc3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)nc1 ZINC000737719388 598459189 /nfs/dbraw/zinc/45/91/89/598459189.db2.gz TVTDULMCKMUQQZ-UHFFFAOYSA-N -1 3 387.451 2.098 20 30 GEEDHM C=C(C)COc1cccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735402586 598472760 /nfs/dbraw/zinc/47/27/60/598472760.db2.gz YDWXMZARGMJWGL-UHFFFAOYSA-N -1 3 392.419 2.190 20 30 GEEDHM C=C(C)COc1cccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402586 598472762 /nfs/dbraw/zinc/47/27/62/598472762.db2.gz YDWXMZARGMJWGL-UHFFFAOYSA-N -1 3 392.419 2.190 20 30 GEEDHM C=C(C)COc1cccc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735402573 598480480 /nfs/dbraw/zinc/48/04/80/598480480.db2.gz XSHZDBAVKKWUBX-UHFFFAOYSA-N -1 3 392.419 2.077 20 30 GEEDHM C=C(C)COc1cccc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735402573 598480482 /nfs/dbraw/zinc/48/04/82/598480482.db2.gz XSHZDBAVKKWUBX-UHFFFAOYSA-N -1 3 392.419 2.077 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)NCCc1cccnc1 ZINC000735420381 598496196 /nfs/dbraw/zinc/49/61/96/598496196.db2.gz PEHXHDYIOWQRJM-UHFFFAOYSA-N -1 3 379.493 2.367 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)NCCc1cccnc1 ZINC000735420381 598496197 /nfs/dbraw/zinc/49/61/97/598496197.db2.gz PEHXHDYIOWQRJM-UHFFFAOYSA-N -1 3 379.493 2.367 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(N2CCCC2)nn1 ZINC000735420104 598528855 /nfs/dbraw/zinc/52/88/55/598528855.db2.gz MJALBWKCRVPRAE-UHFFFAOYSA-N -1 3 390.451 2.085 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(N2CCCC2)nn1 ZINC000735420104 598528856 /nfs/dbraw/zinc/52/88/56/598528856.db2.gz MJALBWKCRVPRAE-UHFFFAOYSA-N -1 3 390.451 2.085 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000737062738 598534343 /nfs/dbraw/zinc/53/43/43/598534343.db2.gz LYPFLTVXDXEQTD-UHFFFAOYSA-N -1 3 379.380 2.099 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000737062738 598534345 /nfs/dbraw/zinc/53/43/45/598534345.db2.gz LYPFLTVXDXEQTD-UHFFFAOYSA-N -1 3 379.380 2.099 20 30 GEEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000736820970 598577401 /nfs/dbraw/zinc/57/74/01/598577401.db2.gz SHRKDCWNUZZMDE-IBGZPJMESA-N -1 3 387.447 2.366 20 30 GEEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000736820970 598577403 /nfs/dbraw/zinc/57/74/03/598577403.db2.gz SHRKDCWNUZZMDE-IBGZPJMESA-N -1 3 387.447 2.366 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@H]2CCCc3ccccc3C2=O)nc1N ZINC000737705706 598582980 /nfs/dbraw/zinc/58/29/80/598582980.db2.gz QUJFMJNUUZXMIQ-AWEZNQCLSA-N -1 3 377.433 2.395 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@H]2CCCc3ccccc3C2=O)nc1N ZINC000737705706 598582981 /nfs/dbraw/zinc/58/29/81/598582981.db2.gz QUJFMJNUUZXMIQ-AWEZNQCLSA-N -1 3 377.433 2.395 20 30 GEEDHM Cc1c(C(=O)C=Cc2cn(-c3ccccc3)nn2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203063 598640742 /nfs/dbraw/zinc/64/07/42/598640742.db2.gz RXKLIAMMYHJKLU-KTKRTIGZSA-N -1 3 386.419 2.400 20 30 GEEDHM Cc1c(C(=O)C=Cc2cn(-c3ccccc3)nn2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203063 598640744 /nfs/dbraw/zinc/64/07/44/598640744.db2.gz RXKLIAMMYHJKLU-KTKRTIGZSA-N -1 3 386.419 2.400 20 30 GEEDHM C#CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000819697939 607363708 /nfs/dbraw/zinc/36/37/08/607363708.db2.gz OQYUHBLSMLVLQS-UHFFFAOYSA-N -1 3 382.399 2.290 20 30 GEEDHM N#Cc1ccc(SCC(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737723520 598715707 /nfs/dbraw/zinc/71/57/07/598715707.db2.gz VBJRPWUTQWXYBI-UHFFFAOYSA-N -1 3 394.416 2.012 20 30 GEEDHM N#Cc1ccc(SCC(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737723520 598715708 /nfs/dbraw/zinc/71/57/08/598715708.db2.gz VBJRPWUTQWXYBI-UHFFFAOYSA-N -1 3 394.416 2.012 20 30 GEEDHM Cc1nnc(N2CCC(Oc3ccc(C#N)cc3)CC2)c(-c2nnn[n-]2)c1C ZINC000737521003 598756269 /nfs/dbraw/zinc/75/62/69/598756269.db2.gz KQPLEGXQACUESN-UHFFFAOYSA-N -1 3 376.424 2.193 20 30 GEEDHM Cc1nnc(N2CCC(Oc3ccc(C#N)cc3)CC2)c(-c2nn[n-]n2)c1C ZINC000737521003 598756270 /nfs/dbraw/zinc/75/62/70/598756270.db2.gz KQPLEGXQACUESN-UHFFFAOYSA-N -1 3 376.424 2.193 20 30 GEEDHM Cc1nnc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c(C#N)c1C ZINC000737520836 598756272 /nfs/dbraw/zinc/75/62/72/598756272.db2.gz IYSSPKVWPCCDHL-UHFFFAOYSA-N -1 3 376.424 2.193 20 30 GEEDHM CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735691811 599332496 /nfs/dbraw/zinc/33/24/96/599332496.db2.gz PVVCNCYLEDTDKW-HNNXBMFYSA-N -1 3 381.362 2.352 20 30 GEEDHM CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735691811 599332499 /nfs/dbraw/zinc/33/24/99/599332499.db2.gz PVVCNCYLEDTDKW-HNNXBMFYSA-N -1 3 381.362 2.352 20 30 GEEDHM Cc1cc(C(N)=NOCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1F ZINC000822192127 599385036 /nfs/dbraw/zinc/38/50/36/599385036.db2.gz ZUNSRZXOCFHLEF-UHFFFAOYSA-N -1 3 394.370 2.201 20 30 GEEDHM Cc1cc(C(N)=NOCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1F ZINC000822192127 599385038 /nfs/dbraw/zinc/38/50/38/599385038.db2.gz ZUNSRZXOCFHLEF-UHFFFAOYSA-N -1 3 394.370 2.201 20 30 GEEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824178601 607378801 /nfs/dbraw/zinc/37/88/01/607378801.db2.gz ZGFIHQBOIUVAEV-UHFFFAOYSA-N -1 3 391.387 2.322 20 30 GEEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824178601 607378803 /nfs/dbraw/zinc/37/88/03/607378803.db2.gz ZGFIHQBOIUVAEV-UHFFFAOYSA-N -1 3 391.387 2.322 20 30 GEEDHM C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819701433 599465490 /nfs/dbraw/zinc/46/54/90/599465490.db2.gz HHHJCPVORMMFQP-UHFFFAOYSA-N -1 3 382.374 2.490 20 30 GEEDHM C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819701433 599465494 /nfs/dbraw/zinc/46/54/94/599465494.db2.gz HHHJCPVORMMFQP-UHFFFAOYSA-N -1 3 382.374 2.490 20 30 GEEDHM N#Cc1ccsc1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000822842586 599558741 /nfs/dbraw/zinc/55/87/41/599558741.db2.gz PAKVWMVBUPPYOA-UHFFFAOYSA-N -1 3 395.448 2.013 20 30 GEEDHM N#Cc1ccsc1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000822842586 599558743 /nfs/dbraw/zinc/55/87/43/599558743.db2.gz PAKVWMVBUPPYOA-UHFFFAOYSA-N -1 3 395.448 2.013 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000820316122 599618794 /nfs/dbraw/zinc/61/87/94/599618794.db2.gz SQHQSQDLIKTGHS-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000820316122 599618796 /nfs/dbraw/zinc/61/87/96/599618796.db2.gz SQHQSQDLIKTGHS-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)Nc1ccc(CC#N)cc1 ZINC000826252019 607386660 /nfs/dbraw/zinc/38/66/60/607386660.db2.gz KNEPBXUYLZGVAO-UHFFFAOYSA-N -1 3 376.376 2.037 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)Nc1ccc(CC#N)cc1 ZINC000826252019 607386662 /nfs/dbraw/zinc/38/66/62/607386662.db2.gz KNEPBXUYLZGVAO-UHFFFAOYSA-N -1 3 376.376 2.037 20 30 GEEDHM N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826381362 607398522 /nfs/dbraw/zinc/39/85/22/607398522.db2.gz IPIZMLHXLUGBDM-MRXNPFEDSA-N -1 3 393.382 2.106 20 30 GEEDHM N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826381362 607398524 /nfs/dbraw/zinc/39/85/24/607398524.db2.gz IPIZMLHXLUGBDM-MRXNPFEDSA-N -1 3 393.382 2.106 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824104619 607430963 /nfs/dbraw/zinc/43/09/63/607430963.db2.gz VUQHBZKEIBGRIK-IBGZPJMESA-N -1 3 397.439 2.466 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824104619 607430964 /nfs/dbraw/zinc/43/09/64/607430964.db2.gz VUQHBZKEIBGRIK-IBGZPJMESA-N -1 3 397.439 2.466 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824104621 607431117 /nfs/dbraw/zinc/43/11/17/607431117.db2.gz VUQHBZKEIBGRIK-LJQANCHMSA-N -1 3 397.439 2.466 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824104621 607431118 /nfs/dbraw/zinc/43/11/18/607431118.db2.gz VUQHBZKEIBGRIK-LJQANCHMSA-N -1 3 397.439 2.466 20 30 GEEDHM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000739066188 600512088 /nfs/dbraw/zinc/51/20/88/600512088.db2.gz GYMAJJIZJHVBBY-HOTGVXAUSA-N -1 3 394.431 2.179 20 30 GEEDHM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000739066187 600512276 /nfs/dbraw/zinc/51/22/76/600512276.db2.gz GYMAJJIZJHVBBY-CVEARBPZSA-N -1 3 394.431 2.179 20 30 GEEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000739107636 600567372 /nfs/dbraw/zinc/56/73/72/600567372.db2.gz YKTYWODKLHULJH-INIZCTEOSA-N -1 3 385.386 2.271 20 30 GEEDHM CS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821936975 607459312 /nfs/dbraw/zinc/45/93/12/607459312.db2.gz INGYHJBSMQCPMV-RMKNXTFCSA-N -1 3 387.396 2.273 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000826183638 607466539 /nfs/dbraw/zinc/46/65/39/607466539.db2.gz VWOSXZXARHUELV-IBGZPJMESA-N -1 3 389.463 2.258 20 30 GEEDHM COc1ccc(CN2CCN(c3cccc(F)c3C#N)CC2)cc1-c1nnn[n-]1 ZINC000826195246 607477378 /nfs/dbraw/zinc/47/73/78/607477378.db2.gz MQQQSWUQRBNYOK-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM COc1ccc(CN2CCN(c3cccc(F)c3C#N)CC2)cc1-c1nn[n-]n1 ZINC000826195246 607477379 /nfs/dbraw/zinc/47/73/79/607477379.db2.gz MQQQSWUQRBNYOK-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM N#Cc1c(NC(=O)CCN2CCSC[C@@H]2CC(=O)[O-])sc2c1CCC2 ZINC000833067369 601020381 /nfs/dbraw/zinc/02/03/81/601020381.db2.gz BAMBHMGUPRFJOG-NSHDSACASA-N -1 3 379.507 2.329 20 30 GEEDHM CC(C)c1nc(CN(C)[C@@H]2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)C2)no1 ZINC000827152285 601321567 /nfs/dbraw/zinc/32/15/67/601321567.db2.gz GJGMIVMUDHAUJS-AEFFLSMTSA-N -1 3 383.452 2.397 20 30 GEEDHM CN(C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830706018 601900625 /nfs/dbraw/zinc/90/06/25/601900625.db2.gz AACHMVSLTVNHPL-FZKQIMNGSA-N -1 3 394.349 2.473 20 30 GEEDHM CN(C[C@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1)C(=O)[O-] ZINC000739666167 602529937 /nfs/dbraw/zinc/52/99/37/602529937.db2.gz SNSVCCYIWPGJIJ-HIFRSBDPSA-N -1 3 379.420 2.155 20 30 GEEDHM CCOc1cc(C#N)ccc1OS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825615765 607576934 /nfs/dbraw/zinc/57/69/34/607576934.db2.gz JTSAFKPOQQVWPZ-UHFFFAOYSA-N -1 3 385.405 2.213 20 30 GEEDHM CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824293118 607600113 /nfs/dbraw/zinc/60/01/13/607600113.db2.gz FXCKVKAAOJRABR-UHFFFAOYSA-N -1 3 382.449 2.338 20 30 GEEDHM CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824293118 607600114 /nfs/dbraw/zinc/60/01/14/607600114.db2.gz FXCKVKAAOJRABR-UHFFFAOYSA-N -1 3 382.449 2.338 20 30 GEEDHM COc1ccc(COC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000826204518 607600310 /nfs/dbraw/zinc/60/03/10/607600310.db2.gz NVEWTKWAQQPZRA-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(COC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000826204518 607600309 /nfs/dbraw/zinc/60/03/09/607600309.db2.gz NVEWTKWAQQPZRA-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM Cc1cc(C#N)ccc1S(=O)(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826257170 607691508 /nfs/dbraw/zinc/69/15/08/607691508.db2.gz QNEAETQWVOZYNX-UHFFFAOYSA-N -1 3 380.433 2.014 20 30 GEEDHM Cc1cc(C#N)ccc1S(=O)(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826257170 607691509 /nfs/dbraw/zinc/69/15/09/607691509.db2.gz QNEAETQWVOZYNX-UHFFFAOYSA-N -1 3 380.433 2.014 20 30 GEEDHM CCOC(=O)Nc1ccc(NC(=O)N2CCC(C#N)CC2)cc1-c1nnn[n-]1 ZINC000825538828 607766286 /nfs/dbraw/zinc/76/62/86/607766286.db2.gz KOXCKXMYGZGQKT-UHFFFAOYSA-N -1 3 384.400 2.203 20 30 GEEDHM CCOC(=O)Nc1ccc(NC(=O)N2CCC(C#N)CC2)cc1-c1nn[n-]n1 ZINC000825538828 607766287 /nfs/dbraw/zinc/76/62/87/607766287.db2.gz KOXCKXMYGZGQKT-UHFFFAOYSA-N -1 3 384.400 2.203 20 30 GEEDHM C#CCN(CC)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1Cc1ccccc1 ZINC000819697716 606074840 /nfs/dbraw/zinc/07/48/40/606074840.db2.gz JVFKAWNSLPSIBZ-UHFFFAOYSA-N -1 3 391.479 2.227 20 30 GEEDHM C#CCN(CC)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1Cc1ccccc1 ZINC000819697716 606074845 /nfs/dbraw/zinc/07/48/45/606074845.db2.gz JVFKAWNSLPSIBZ-UHFFFAOYSA-N -1 3 391.479 2.227 20 30 GEEDHM Cc1sc(NC(=O)CN(CCC#N)Cc2ccccn2)c(-c2nnn[n-]2)c1C ZINC000822559207 606114385 /nfs/dbraw/zinc/11/43/85/606114385.db2.gz YAUJCHGOAICFOW-UHFFFAOYSA-N -1 3 396.480 2.294 20 30 GEEDHM Cc1sc(NC(=O)CN(CCC#N)Cc2ccccn2)c(-c2nn[n-]n2)c1C ZINC000822559207 606114387 /nfs/dbraw/zinc/11/43/87/606114387.db2.gz YAUJCHGOAICFOW-UHFFFAOYSA-N -1 3 396.480 2.294 20 30 GEEDHM N#Cc1cccc(CC(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822837133 606143816 /nfs/dbraw/zinc/14/38/16/606143816.db2.gz GEWAPFLDRKBBGY-UHFFFAOYSA-N -1 3 396.794 2.116 20 30 GEEDHM N#Cc1cccc(CC(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822837133 606143817 /nfs/dbraw/zinc/14/38/17/606143817.db2.gz GEWAPFLDRKBBGY-UHFFFAOYSA-N -1 3 396.794 2.116 20 30 GEEDHM Cn1cc(C#N)cc1C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822669944 606209707 /nfs/dbraw/zinc/20/97/07/606209707.db2.gz WAAUHXUSSMCAES-UHFFFAOYSA-N -1 3 376.405 2.453 20 30 GEEDHM Cn1cc(C#N)cc1C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822669944 606209708 /nfs/dbraw/zinc/20/97/08/606209708.db2.gz WAAUHXUSSMCAES-UHFFFAOYSA-N -1 3 376.405 2.453 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000821765378 606248632 /nfs/dbraw/zinc/24/86/32/606248632.db2.gz BYNBWAYHUVEYRE-LBPRGKRZSA-N -1 3 381.421 2.026 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000821765378 606248634 /nfs/dbraw/zinc/24/86/34/606248634.db2.gz BYNBWAYHUVEYRE-LBPRGKRZSA-N -1 3 381.421 2.026 20 30 GEEDHM C=CCCCC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1-c1nnn[n-]1 ZINC000819733971 606256470 /nfs/dbraw/zinc/25/64/70/606256470.db2.gz GJNOZLACDLLNOJ-UHFFFAOYSA-N -1 3 394.483 2.348 20 30 GEEDHM C=CCCCC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1-c1nn[n-]n1 ZINC000819733971 606256471 /nfs/dbraw/zinc/25/64/71/606256471.db2.gz GJNOZLACDLLNOJ-UHFFFAOYSA-N -1 3 394.483 2.348 20 30 GEEDHM N#C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000822806473 606271741 /nfs/dbraw/zinc/27/17/41/606271741.db2.gz NUFQAZQLLLRDIW-AWEZNQCLSA-N -1 3 392.444 2.382 20 30 GEEDHM N#C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000822806473 606271743 /nfs/dbraw/zinc/27/17/43/606271743.db2.gz NUFQAZQLLLRDIW-AWEZNQCLSA-N -1 3 392.444 2.382 20 30 GEEDHM CS(=O)(=O)Nc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821937748 606305646 /nfs/dbraw/zinc/30/56/46/606305646.db2.gz QFNTTYWXBZRVET-AATRIKPKSA-N -1 3 375.435 2.196 20 30 GEEDHM CS(=O)(=O)Nc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821937748 606305648 /nfs/dbraw/zinc/30/56/48/606305648.db2.gz QFNTTYWXBZRVET-AATRIKPKSA-N -1 3 375.435 2.196 20 30 GEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000821609603 606315947 /nfs/dbraw/zinc/31/59/47/606315947.db2.gz DOIXAPSBVKHNFW-HNNXBMFYSA-N -1 3 379.449 2.037 20 30 GEEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000819739675 606316025 /nfs/dbraw/zinc/31/60/25/606316025.db2.gz CPCVYKDBFVKQKK-UHFFFAOYSA-N -1 3 377.408 2.261 20 30 GEEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000819739675 606316027 /nfs/dbraw/zinc/31/60/27/606316027.db2.gz CPCVYKDBFVKQKK-UHFFFAOYSA-N -1 3 377.408 2.261 20 30 GEEDHM CN=c1scc(-c2ccc(O)c(O)c2)n1N=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821630167 606328011 /nfs/dbraw/zinc/32/80/11/606328011.db2.gz ONXJLZQBSLSXAU-UHFFFAOYSA-N -1 3 399.461 2.282 20 30 GEEDHM CN=c1scc(-c2ccc(O)c(O)c2)n1N=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821630167 606328013 /nfs/dbraw/zinc/32/80/13/606328013.db2.gz ONXJLZQBSLSXAU-UHFFFAOYSA-N -1 3 399.461 2.282 20 30 GEEDHM N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000822842508 606346598 /nfs/dbraw/zinc/34/65/98/606346598.db2.gz LPIBTRRYUJCWFS-UHFFFAOYSA-N -1 3 392.398 2.232 20 30 GEEDHM N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000822842508 606346599 /nfs/dbraw/zinc/34/65/99/606346599.db2.gz LPIBTRRYUJCWFS-UHFFFAOYSA-N -1 3 392.398 2.232 20 30 GEEDHM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819743215 606397758 /nfs/dbraw/zinc/39/77/58/606397758.db2.gz FXPYAVUMGMCEPU-UHFFFAOYSA-N -1 3 394.410 2.202 20 30 GEEDHM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819743215 606397759 /nfs/dbraw/zinc/39/77/59/606397759.db2.gz FXPYAVUMGMCEPU-UHFFFAOYSA-N -1 3 394.410 2.202 20 30 GEEDHM C#CCNC(=O)CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000819701230 606456272 /nfs/dbraw/zinc/45/62/72/606456272.db2.gz AATDAMYJRONIFZ-UHFFFAOYSA-N -1 3 396.838 2.260 20 30 GEEDHM C#CCNC(=O)CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000819701230 606456273 /nfs/dbraw/zinc/45/62/73/606456273.db2.gz AATDAMYJRONIFZ-UHFFFAOYSA-N -1 3 396.838 2.260 20 30 GEEDHM CN(C)C(=O)c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[nH]1 ZINC000821578322 606461743 /nfs/dbraw/zinc/46/17/43/606461743.db2.gz YIQBMGSVYSYAKY-UHFFFAOYSA-N -1 3 392.345 2.361 20 30 GEEDHM CN(C)C(=O)c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[nH]1 ZINC000821578322 606461744 /nfs/dbraw/zinc/46/17/44/606461744.db2.gz YIQBMGSVYSYAKY-UHFFFAOYSA-N -1 3 392.345 2.361 20 30 GEEDHM Brc1cn2ccnc2c(N=NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000819689152 606623236 /nfs/dbraw/zinc/62/32/36/606623236.db2.gz WRAXSIXNUFNXEE-UHFFFAOYSA-N -1 3 384.201 2.118 20 30 GEEDHM Brc1cn2ccnc2c(N=NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000819689152 606623238 /nfs/dbraw/zinc/62/32/38/606623238.db2.gz WRAXSIXNUFNXEE-UHFFFAOYSA-N -1 3 384.201 2.118 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1ccc(C)nc1C ZINC000819742863 606737436 /nfs/dbraw/zinc/73/74/36/606737436.db2.gz AYQYYSZNTRVBLY-UHFFFAOYSA-N -1 3 391.435 2.032 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1ccc(C)nc1C ZINC000819742863 606737437 /nfs/dbraw/zinc/73/74/37/606737437.db2.gz AYQYYSZNTRVBLY-UHFFFAOYSA-N -1 3 391.435 2.032 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)c1cccc(C#N)c1 ZINC000820316071 606740769 /nfs/dbraw/zinc/74/07/69/606740769.db2.gz SAHNLYBQOYYGTQ-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)c1cccc(C#N)c1 ZINC000820316071 606740770 /nfs/dbraw/zinc/74/07/70/606740770.db2.gz SAHNLYBQOYYGTQ-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000820543274 606745516 /nfs/dbraw/zinc/74/55/16/606745516.db2.gz XPWRPZCZPCXWQG-NSHDSACASA-N -1 3 382.355 2.314 20 30 GEEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000820543274 606745518 /nfs/dbraw/zinc/74/55/18/606745518.db2.gz XPWRPZCZPCXWQG-NSHDSACASA-N -1 3 382.355 2.314 20 30 GEEDHM CC(C)C(=O)N1CCC(=NOCc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000820011129 606767653 /nfs/dbraw/zinc/76/76/53/606767653.db2.gz INNNZXGHHKJZLL-UHFFFAOYSA-N -1 3 381.440 2.270 20 30 GEEDHM CC(C)C(=O)N1CCC(=NOCc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000820011129 606767654 /nfs/dbraw/zinc/76/76/54/606767654.db2.gz INNNZXGHHKJZLL-UHFFFAOYSA-N -1 3 381.440 2.270 20 30 GEEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000821100143 606775420 /nfs/dbraw/zinc/77/54/20/606775420.db2.gz URIHXFZOWNZQBA-UHFFFAOYSA-N -1 3 389.415 2.386 20 30 GEEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000821100143 606775422 /nfs/dbraw/zinc/77/54/22/606775422.db2.gz URIHXFZOWNZQBA-UHFFFAOYSA-N -1 3 389.415 2.386 20 30 GEEDHM C=C(C)COCCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000819722231 606803792 /nfs/dbraw/zinc/80/37/92/606803792.db2.gz DPJNEFSLMUEMKY-UHFFFAOYSA-N -1 3 383.408 2.361 20 30 GEEDHM C=C(C)COCCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000819722231 606803793 /nfs/dbraw/zinc/80/37/93/606803793.db2.gz DPJNEFSLMUEMKY-UHFFFAOYSA-N -1 3 383.408 2.361 20 30 GEEDHM O=C(NC1CC1)c1cc(F)c(N=NCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000823146843 606840001 /nfs/dbraw/zinc/84/00/01/606840001.db2.gz YMMWAXUHSGVHHD-UHFFFAOYSA-N -1 3 383.362 2.483 20 30 GEEDHM O=C(NC1CC1)c1cc(F)c(N=NCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000823146843 606840003 /nfs/dbraw/zinc/84/00/03/606840003.db2.gz YMMWAXUHSGVHHD-UHFFFAOYSA-N -1 3 383.362 2.483 20 30 GEEDHM Cc1nn(-c2ccccc2)c(COC(=O)C2(C#N)CC(C)C2)c1-c1nnn[n-]1 ZINC000822486969 607115476 /nfs/dbraw/zinc/11/54/76/607115476.db2.gz VDXPXRQRZPTOKG-UHFFFAOYSA-N -1 3 377.408 2.344 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000799791740 607141656 /nfs/dbraw/zinc/14/16/56/607141656.db2.gz PVKSRZMMYJYGNB-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000799791740 607141658 /nfs/dbraw/zinc/14/16/58/607141658.db2.gz PVKSRZMMYJYGNB-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000822833546 607142959 /nfs/dbraw/zinc/14/29/59/607142959.db2.gz RMHNADBJSLMSMX-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC000822833546 607142960 /nfs/dbraw/zinc/14/29/60/607142960.db2.gz RMHNADBJSLMSMX-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM S=C(NCc1ccccc1)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000823733380 607146384 /nfs/dbraw/zinc/14/63/84/607146384.db2.gz WBMSXMIEADCZIF-UHFFFAOYSA-N -1 3 376.449 2.346 20 30 GEEDHM S=C(NCc1ccccc1)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823733380 607146386 /nfs/dbraw/zinc/14/63/86/607146386.db2.gz WBMSXMIEADCZIF-UHFFFAOYSA-N -1 3 376.449 2.346 20 30 GEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(-c2nn[nH]n2)cc1F ZINC000822010130 607245397 /nfs/dbraw/zinc/24/53/97/607245397.db2.gz OUVFGBNRIWPNJP-UHFFFAOYSA-N -1 3 382.355 2.133 20 30 GEEDHM CCCCCCCCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000825270682 607855222 /nfs/dbraw/zinc/85/52/22/607855222.db2.gz BLZMEAKSUMPWCK-UHFFFAOYSA-N -1 3 386.504 2.454 20 30 GEEDHM CCCCCCCCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000825270682 607855223 /nfs/dbraw/zinc/85/52/23/607855223.db2.gz BLZMEAKSUMPWCK-UHFFFAOYSA-N -1 3 386.504 2.454 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1Cl ZINC000826386075 607933531 /nfs/dbraw/zinc/93/35/31/607933531.db2.gz NYTLTEQJCSMQLP-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1Cl ZINC000826386075 607933532 /nfs/dbraw/zinc/93/35/32/607933532.db2.gz NYTLTEQJCSMQLP-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM C#CC[C@@H](NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823837294 607939504 /nfs/dbraw/zinc/93/95/04/607939504.db2.gz AIQZIEVMOSUYMI-QGZVFWFLSA-N -1 3 376.420 2.439 20 30 GEEDHM C#CC[C@@H](NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823837294 607939505 /nfs/dbraw/zinc/93/95/05/607939505.db2.gz AIQZIEVMOSUYMI-QGZVFWFLSA-N -1 3 376.420 2.439 20 30 GEEDHM C#CC[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)c1ccccc1 ZINC000823839007 607944249 /nfs/dbraw/zinc/94/42/49/607944249.db2.gz YHALHMKDBMAIPA-HNNXBMFYSA-N -1 3 394.822 2.339 20 30 GEEDHM C#CC[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)c1ccccc1 ZINC000823839007 607944250 /nfs/dbraw/zinc/94/42/50/607944250.db2.gz YHALHMKDBMAIPA-HNNXBMFYSA-N -1 3 394.822 2.339 20 30 GEEDHM C=CCCOCCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823899068 607944555 /nfs/dbraw/zinc/94/45/55/607944555.db2.gz JXBFIESDCPEEGB-UHFFFAOYSA-N -1 3 383.408 2.361 20 30 GEEDHM C=C[C@H](CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC000823883517 607977892 /nfs/dbraw/zinc/97/78/92/607977892.db2.gz SBWKHQPCTHWZBD-MRXNPFEDSA-N -1 3 389.463 2.270 20 30 GEEDHM C=C[C@H](CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC000823883517 607977893 /nfs/dbraw/zinc/97/78/93/607977893.db2.gz SBWKHQPCTHWZBD-MRXNPFEDSA-N -1 3 389.463 2.270 20 30 GEEDHM C=CCCC(=O)COC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000823888531 608056843 /nfs/dbraw/zinc/05/68/43/608056843.db2.gz PLYNXUWWKZCECQ-UHFFFAOYSA-N -1 3 375.454 2.358 20 30 GEEDHM C=CCCC(=O)COC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000823888531 608056844 /nfs/dbraw/zinc/05/68/44/608056844.db2.gz PLYNXUWWKZCECQ-UHFFFAOYSA-N -1 3 375.454 2.358 20 30 GEEDHM N#Cc1cc(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1F ZINC000826384139 608073261 /nfs/dbraw/zinc/07/32/61/608073261.db2.gz IFJHOMARIUVOEN-QGZVFWFLSA-N -1 3 393.382 2.483 20 30 GEEDHM N#Cc1cc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1F ZINC000826384139 608073262 /nfs/dbraw/zinc/07/32/62/608073262.db2.gz IFJHOMARIUVOEN-QGZVFWFLSA-N -1 3 393.382 2.483 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000826175719 608141073 /nfs/dbraw/zinc/14/10/73/608141073.db2.gz NRHBPBMOERIYGI-IBGZPJMESA-N -1 3 384.440 2.187 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000826175719 608141074 /nfs/dbraw/zinc/14/10/74/608141074.db2.gz NRHBPBMOERIYGI-IBGZPJMESA-N -1 3 384.440 2.187 20 30 GEEDHM NC(=NOCc1cccc(-c2nnn[n-]2)c1)c1cccnc1N1CCCCC1 ZINC000826388630 608153039 /nfs/dbraw/zinc/15/30/39/608153039.db2.gz FMFBVYOPPXFZSI-UHFFFAOYSA-N -1 3 378.440 2.089 20 30 GEEDHM NC(=NOCc1cccc(-c2nn[n-]n2)c1)c1cccnc1N1CCCCC1 ZINC000826388630 608153040 /nfs/dbraw/zinc/15/30/40/608153040.db2.gz FMFBVYOPPXFZSI-UHFFFAOYSA-N -1 3 378.440 2.089 20 30 GEEDHM N#Cc1cccc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826386438 608160404 /nfs/dbraw/zinc/16/04/04/608160404.db2.gz DSLNRRJXJLIWEN-UHFFFAOYSA-N -1 3 383.755 2.481 20 30 GEEDHM N#Cc1cccc(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826386438 608160406 /nfs/dbraw/zinc/16/04/06/608160406.db2.gz DSLNRRJXJLIWEN-UHFFFAOYSA-N -1 3 383.755 2.481 20 30 GEEDHM CCN(C(=O)CNc1ccc(C#N)cn1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372342 608219954 /nfs/dbraw/zinc/21/99/54/608219954.db2.gz VVVWEXUDNSADMZ-ZDUSSCGKSA-N -1 3 376.424 2.155 20 30 GEEDHM CCN(C(=O)CNc1ccc(C#N)cn1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372342 608219955 /nfs/dbraw/zinc/21/99/55/608219955.db2.gz VVVWEXUDNSADMZ-ZDUSSCGKSA-N -1 3 376.424 2.155 20 30 GEEDHM COCCn1nc(C)c(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1C ZINC000826163970 608228927 /nfs/dbraw/zinc/22/89/27/608228927.db2.gz SVEIGTSDVKMNHI-FNORWQNLSA-N -1 3 382.424 2.231 20 30 GEEDHM COCCn1nc(C)c(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1C ZINC000826163970 608228929 /nfs/dbraw/zinc/22/89/29/608228929.db2.gz SVEIGTSDVKMNHI-FNORWQNLSA-N -1 3 382.424 2.231 20 30 GEEDHM C=CCN(C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC000823903586 608271828 /nfs/dbraw/zinc/27/18/28/608271828.db2.gz DPZBRYYAFHBSCK-UHFFFAOYSA-N -1 3 383.456 2.312 20 30 GEEDHM C=CCN(C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC000823903586 608271829 /nfs/dbraw/zinc/27/18/29/608271829.db2.gz DPZBRYYAFHBSCK-UHFFFAOYSA-N -1 3 383.456 2.312 20 30 GEEDHM O=C(C#Cc1ccccc1)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826415035 608317885 /nfs/dbraw/zinc/31/78/85/608317885.db2.gz PEVXCGPOMSOXPM-UHFFFAOYSA-N -1 3 381.779 2.054 20 30 GEEDHM O=C(C#Cc1ccccc1)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826415035 608317887 /nfs/dbraw/zinc/31/78/87/608317887.db2.gz PEVXCGPOMSOXPM-UHFFFAOYSA-N -1 3 381.779 2.054 20 30 GEEDHM COc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc(OC)c1O ZINC000826178665 608540311 /nfs/dbraw/zinc/54/03/11/608540311.db2.gz HICOOEWJGINPTN-UHFFFAOYSA-N -1 3 375.776 2.084 20 30 GEEDHM COc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc(OC)c1O ZINC000826178665 608540313 /nfs/dbraw/zinc/54/03/13/608540313.db2.gz HICOOEWJGINPTN-UHFFFAOYSA-N -1 3 375.776 2.084 20 30 GEEDHM N#C[C@@H]1CSCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826380591 608548104 /nfs/dbraw/zinc/54/81/04/608548104.db2.gz GPFLONLBRFROOA-CYBMUJFWSA-N -1 3 396.432 2.120 20 30 GEEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000824756546 608571152 /nfs/dbraw/zinc/57/11/52/608571152.db2.gz OTDRFYMUKBSWEH-GFCCVEGCSA-N -1 3 389.419 2.418 20 30 GEEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000824756546 608571154 /nfs/dbraw/zinc/57/11/54/608571154.db2.gz OTDRFYMUKBSWEH-GFCCVEGCSA-N -1 3 389.419 2.418 20 30 GEEDHM C#CCOc1ccc(CN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1 ZINC000823856153 608594295 /nfs/dbraw/zinc/59/42/95/608594295.db2.gz LBIFYWKPOVMJML-UHFFFAOYSA-N -1 3 392.438 2.340 20 30 GEEDHM N#Cc1cnc2ccccc2c1N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826387854 608655232 /nfs/dbraw/zinc/65/52/32/608655232.db2.gz UWFAAAYVEVCMMK-UHFFFAOYSA-N -1 3 386.419 2.202 20 30 GEEDHM N#Cc1cnc2ccccc2c1N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826387854 608655234 /nfs/dbraw/zinc/65/52/34/608655234.db2.gz UWFAAAYVEVCMMK-UHFFFAOYSA-N -1 3 386.419 2.202 20 30 GEEDHM CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000826223873 608879247 /nfs/dbraw/zinc/87/92/47/608879247.db2.gz DGWJTCBKIJOHPD-ZZXKWVIFSA-N -1 3 390.371 2.445 20 30 GEEDHM CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000826223873 608879249 /nfs/dbraw/zinc/87/92/49/608879249.db2.gz DGWJTCBKIJOHPD-ZZXKWVIFSA-N -1 3 390.371 2.445 20 30 GEEDHM CCNc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000825476543 609178509 /nfs/dbraw/zinc/17/85/09/609178509.db2.gz NAXFDIILHLMHHD-CQSZACIVSA-N -1 3 394.464 2.449 20 30 GEEDHM N#Cc1cc(NC(=O)c2cc(NCc3ccccc3)ccn2)ccc1-c1nnn[n-]1 ZINC000826384467 609188678 /nfs/dbraw/zinc/18/86/78/609188678.db2.gz WOEMDZMWWHASCW-UHFFFAOYSA-N -1 3 396.414 2.420 20 30 GEEDHM N#Cc1cc(NC(=O)c2cc(NCc3ccccc3)ccn2)ccc1-c1nn[n-]n1 ZINC000826384467 609188679 /nfs/dbraw/zinc/18/86/79/609188679.db2.gz WOEMDZMWWHASCW-UHFFFAOYSA-N -1 3 396.414 2.420 20 30 GEEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000824292827 609214830 /nfs/dbraw/zinc/21/48/30/609214830.db2.gz AXOWTHARUMAADX-GOSISDBHSA-N -1 3 376.420 2.209 20 30 GEEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000824292827 609214832 /nfs/dbraw/zinc/21/48/32/609214832.db2.gz AXOWTHARUMAADX-GOSISDBHSA-N -1 3 376.420 2.209 20 30 GEEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824261118 609214843 /nfs/dbraw/zinc/21/48/43/609214843.db2.gz AUQPTGDTBGGDDA-LJQANCHMSA-N -1 3 390.447 2.457 20 30 GEEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824261118 609214844 /nfs/dbraw/zinc/21/48/44/609214844.db2.gz AUQPTGDTBGGDDA-LJQANCHMSA-N -1 3 390.447 2.457 20 30 GEEDHM O=C(C=Cc1cnc(N2CCOCC2)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402879 609274652 /nfs/dbraw/zinc/27/46/52/609274652.db2.gz FAXQCBDYTWVSEH-RQOWECAXSA-N -1 3 386.412 2.195 20 30 GEEDHM O=C(C=Cc1cnc(N2CCOCC2)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402879 609274653 /nfs/dbraw/zinc/27/46/53/609274653.db2.gz FAXQCBDYTWVSEH-RQOWECAXSA-N -1 3 386.412 2.195 20 30 GEEDHM Cn1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000826359469 609306473 /nfs/dbraw/zinc/30/64/73/609306473.db2.gz IAMCCUIDAVWRIB-UHFFFAOYSA-N -1 3 383.419 2.263 20 30 GEEDHM Cn1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000826359469 609306475 /nfs/dbraw/zinc/30/64/75/609306475.db2.gz IAMCCUIDAVWRIB-UHFFFAOYSA-N -1 3 383.419 2.263 20 30 GEEDHM Cn1cc(C=Nn2cc(Br)cn2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360833 609306646 /nfs/dbraw/zinc/30/66/46/609306646.db2.gz ZYXVLUWKRADKTH-UHFFFAOYSA-N -1 3 398.228 2.108 20 30 GEEDHM Cn1cc(C=Nn2cc(Br)cn2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360833 609306648 /nfs/dbraw/zinc/30/66/48/609306648.db2.gz ZYXVLUWKRADKTH-UHFFFAOYSA-N -1 3 398.228 2.108 20 30 GEEDHM Cc1nnc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(C#N)c1C ZINC000826337509 609309431 /nfs/dbraw/zinc/30/94/31/609309431.db2.gz RDJDRSPNNGDRFV-UHFFFAOYSA-N -1 3 391.420 2.488 20 30 GEEDHM Cc1nnc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(C#N)c1C ZINC000826337509 609309432 /nfs/dbraw/zinc/30/94/32/609309432.db2.gz RDJDRSPNNGDRFV-UHFFFAOYSA-N -1 3 391.420 2.488 20 30 GEEDHM N#CC1(NC(=O)c2cc(-c3nnn[n-]3)cs2)CCN(Cc2ccccc2)CC1 ZINC000826380273 609345488 /nfs/dbraw/zinc/34/54/88/609345488.db2.gz TYVSPZJKJANKEG-UHFFFAOYSA-N -1 3 393.476 2.216 20 30 GEEDHM N#CCC1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000826380718 609423950 /nfs/dbraw/zinc/42/39/50/609423950.db2.gz KHCTZSDFWLALKN-UHFFFAOYSA-N -1 3 381.440 2.128 20 30 GEEDHM N#CCC1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000826380718 609423951 /nfs/dbraw/zinc/42/39/51/609423951.db2.gz KHCTZSDFWLALKN-UHFFFAOYSA-N -1 3 381.440 2.128 20 30 GEEDHM COC(=O)COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826138105 609441698 /nfs/dbraw/zinc/44/16/98/609441698.db2.gz DXDSANFBCYDJPJ-RUDMXATFSA-N -1 3 382.351 2.454 20 30 GEEDHM COC(=O)COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826138105 609441699 /nfs/dbraw/zinc/44/16/99/609441699.db2.gz DXDSANFBCYDJPJ-RUDMXATFSA-N -1 3 382.351 2.454 20 30 GEEDHM N#Cc1cccc(C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826386481 609459595 /nfs/dbraw/zinc/45/95/95/609459595.db2.gz GYHLIFMGUHWBED-KRWDZBQOSA-N -1 3 388.387 2.091 20 30 GEEDHM N#Cc1cccc(C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826386481 609459598 /nfs/dbraw/zinc/45/95/98/609459598.db2.gz GYHLIFMGUHWBED-KRWDZBQOSA-N -1 3 388.387 2.091 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(C#N)cc1 ZINC000824640758 609538226 /nfs/dbraw/zinc/53/82/26/609538226.db2.gz NYAGUJQYAFCTFA-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(C#N)cc1 ZINC000824640758 609538229 /nfs/dbraw/zinc/53/82/29/609538229.db2.gz NYAGUJQYAFCTFA-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM Cc1ccnc(N2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)c1C#N ZINC000826311220 609544666 /nfs/dbraw/zinc/54/46/66/609544666.db2.gz XHMRLSSDISFEJU-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM Cc1ccnc(N2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)c1C#N ZINC000826311220 609544667 /nfs/dbraw/zinc/54/46/67/609544667.db2.gz XHMRLSSDISFEJU-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM C#CCCCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823841462 609559428 /nfs/dbraw/zinc/55/94/28/609559428.db2.gz NYGMULITNNGELL-MRXNPFEDSA-N -1 3 398.492 2.290 20 30 GEEDHM C#CCCCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823841462 609559430 /nfs/dbraw/zinc/55/94/30/609559430.db2.gz NYGMULITNNGELL-MRXNPFEDSA-N -1 3 398.492 2.290 20 30 GEEDHM C#CCN(C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C1CCCC1 ZINC000823844805 609592508 /nfs/dbraw/zinc/59/25/08/609592508.db2.gz JGJFXXGHVVEVHD-UHFFFAOYSA-N -1 3 375.436 2.379 20 30 GEEDHM C#CCN(C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C1CCCC1 ZINC000823844805 609592511 /nfs/dbraw/zinc/59/25/11/609592511.db2.gz JGJFXXGHVVEVHD-UHFFFAOYSA-N -1 3 375.436 2.379 20 30 GEEDHM C#CCOCCNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000823856130 609607696 /nfs/dbraw/zinc/60/76/96/609607696.db2.gz KEKOVPTVUDBARN-UHFFFAOYSA-N -1 3 382.449 2.044 20 30 GEEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000824100516 609624932 /nfs/dbraw/zinc/62/49/32/609624932.db2.gz SNKFIWMJDJSGMM-SFHVURJKSA-N -1 3 389.387 2.311 20 30 GEEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000824100516 609624934 /nfs/dbraw/zinc/62/49/34/609624934.db2.gz SNKFIWMJDJSGMM-SFHVURJKSA-N -1 3 389.387 2.311 20 30 GEEDHM CC(C)(C#N)c1ccccc1COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824059170 609638652 /nfs/dbraw/zinc/63/86/52/609638652.db2.gz NWRWLPGJNKPUJT-KRWDZBQOSA-N -1 3 377.404 2.445 20 30 GEEDHM CC(C)(C#N)c1ccccc1COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824059170 609638653 /nfs/dbraw/zinc/63/86/53/609638653.db2.gz NWRWLPGJNKPUJT-KRWDZBQOSA-N -1 3 377.404 2.445 20 30 GEEDHM CSc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n[n-]1 ZINC000448833432 650023065 /nfs/dbraw/zinc/02/30/65/650023065.db2.gz XZVCAFWOGHZRGC-SECBINFHSA-N -1 3 376.829 2.043 20 30 GEEDHM Cc1nn(C)c(N2CCN(Cc3cccc([O-])c3Br)CC2)c1C#N ZINC000459494286 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GEEDHM N#Cc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1Br ZINC000498756073 650864570 /nfs/dbraw/zinc/86/45/70/650864570.db2.gz VBZPHRARCZKOEL-UHFFFAOYSA-N -1 3 392.184 2.420 20 30 GEEDHM N#CCN1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000151828966 643955068 /nfs/dbraw/zinc/95/50/68/643955068.db2.gz CJIFPIOFTWLAJZ-UHFFFAOYSA-N -1 3 378.317 2.024 20 30 GEEDHM C#CCCCNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179974750 644481838 /nfs/dbraw/zinc/48/18/38/644481838.db2.gz VJDTXJFTBHSECE-UHFFFAOYSA-N -1 3 380.185 2.276 20 30 GEEDHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)no1 ZINC000267888862 645931470 /nfs/dbraw/zinc/93/14/70/645931470.db2.gz SJJBUXBTDIBHAT-UHFFFAOYSA-N -1 3 385.243 2.226 20 30 GEEDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(F)(F)F ZINC000270556924 646119424 /nfs/dbraw/zinc/11/94/24/646119424.db2.gz OOSZPEHZDUVDPF-JTQLQIEISA-N -1 3 376.278 2.169 20 30 GEEDHM O=S1(=O)CC[C@@]2(C1)C[C@@H](/N=C/c1cc(Br)ccc1[O-])CCO2 ZINC000271712160 646223007 /nfs/dbraw/zinc/22/30/07/646223007.db2.gz 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20 30 GEEDHM C=CC[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000628486603 652459246 /nfs/dbraw/zinc/45/92/46/652459246.db2.gz MENKPAHMGOCCQS-JTQLQIEISA-N -1 3 393.328 2.214 20 30 GEEDHM CC(C)CN(CCC#N)C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760463936 652610665 /nfs/dbraw/zinc/61/06/65/652610665.db2.gz VJZRALCHNZQAQF-CYBMUJFWSA-N -1 3 386.905 2.190 20 30 GEEDHM C[C@H](CC(=O)OCc1cnc(Cl)s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000760530697 652613030 /nfs/dbraw/zinc/61/30/30/652613030.db2.gz MPCKEKVESKYOLF-SECBINFHSA-N -1 3 399.881 2.357 20 30 GEEDHM C=C(COC(=O)c1ccc(I)c([O-])c1)C(=O)OCC ZINC000760811443 652624553 /nfs/dbraw/zinc/62/45/53/652624553.db2.gz GCECBGSVKHLHLB-UHFFFAOYSA-N -1 3 376.146 2.273 20 30 GEEDHM COc1ccc(C=NNS(=O)(=O)c2ccccc2)c(Br)c1[O-] ZINC000760998016 652629767 /nfs/dbraw/zinc/62/97/67/652629767.db2.gz YYFAYMUIQCKPKC-UHFFFAOYSA-N -1 3 385.239 2.476 20 30 GEEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C#N)C(C)C)c(Br)cc1F ZINC000768882005 653135095 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GEEDHM CSc1ccc(C)c(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000775809546 653330094 /nfs/dbraw/zinc/33/00/94/653330094.db2.gz BZJIHVLJVIANNT-UHFFFAOYSA-N -1 3 375.475 2.394 20 30 GEEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000859425180 653462795 /nfs/dbraw/zinc/46/27/95/653462795.db2.gz NIJZMOGWPCISPU-LLVKDONJSA-N -1 3 380.344 2.320 20 30 GEEDHM C#C[C@@H]1COCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000838273769 653615778 /nfs/dbraw/zinc/61/57/78/653615778.db2.gz CKUOHIMZIQHPPD-SNVBAGLBSA-N -1 3 395.640 2.418 20 30 GEEDHM Cc1c(C(=O)N[C@H]2CCCN([O-])C2=O)cnn1-c1ccc(Br)cc1 ZINC000816757557 653692704 /nfs/dbraw/zinc/69/27/04/653692704.db2.gz VMLYYHCDSMCYNG-AWEZNQCLSA-N -1 3 393.241 2.053 20 30 GEEDHM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816758013 653692859 /nfs/dbraw/zinc/69/28/59/653692859.db2.gz GTTHLENONOGSAF-KWQFWETISA-N -1 3 391.649 2.366 20 30 GEEDHM Cc1[nH]c2ccc(Br)cc2c1CC(=O)N[C@H]1CCCN([O-])C1=O ZINC000816757101 653692876 /nfs/dbraw/zinc/69/28/76/653692876.db2.gz LTNFOZBYMHKJIY-AWEZNQCLSA-N -1 3 380.242 2.278 20 30 GEEDHM O=C1CN(N=Cc2cc(Br)ccc2OCc2ccccn2)C(=O)[N-]1 ZINC000818269576 653728610 /nfs/dbraw/zinc/72/86/10/653728610.db2.gz ZLTSPFVQSDXTRQ-UHFFFAOYSA-N -1 3 389.209 2.309 20 30 GEEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000864346441 653734304 /nfs/dbraw/zinc/73/43/04/653734304.db2.gz WNUVLBUCRZXLBG-WUQDTEKSSA-N -1 3 387.241 2.290 20 30 GEEDHM Cc1ccc(Cl)cc1N(C)C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000818808920 653737120 /nfs/dbraw/zinc/73/71/20/653737120.db2.gz BPOPLYIRBQOLLP-UHFFFAOYSA-N -1 3 377.853 2.350 20 30 GEEDHM C#CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000882342522 653777284 /nfs/dbraw/zinc/77/72/84/653777284.db2.gz CSYJCVZWNYAYCW-SECBINFHSA-N -1 3 386.189 2.130 20 30 GEEDHM Cc1c(Br)c(C)n([N-]C(=O)c2ccc([N+](=O)[O-])cc2)c(=O)c1C#N ZINC000791172468 653804617 /nfs/dbraw/zinc/80/46/17/653804617.db2.gz BIGMUAHPOXVVLN-UHFFFAOYSA-N -1 3 391.181 2.391 20 30 GEEDHM O=C1[C@H](NCc2c(Br)cncc2Br)CCCN1[O-] ZINC000895160051 653821093 /nfs/dbraw/zinc/82/10/93/653821093.db2.gz ZUJDCSOTWPOVGD-SNVBAGLBSA-N -1 3 379.052 2.076 20 30 GEEDHM Nc1c(Br)cc(Br)cc1CN[C@H]1CCCN([O-])C1=O ZINC000895161954 653821228 /nfs/dbraw/zinc/82/12/28/653821228.db2.gz VVCIPDXGTXOQQZ-JTQLQIEISA-N -1 3 393.079 2.264 20 30 GEEDHM C#CCCC[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC000866885711 653843616 /nfs/dbraw/zinc/84/36/16/653843616.db2.gz KVGRUUWRZTYRHT-IBGZPJMESA-N -1 3 379.301 2.154 20 30 GEEDHM Nc1nc(Cl)cc(N=NCc2c(Br)n[n-]c2Br)n1 ZINC000793038548 653863779 /nfs/dbraw/zinc/86/37/79/653863779.db2.gz CAESAIKCKZEIAJ-UHFFFAOYSA-N -1 3 395.446 2.406 20 30 GEEDHM Cn1ncc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)c1Br ZINC000866995210 653862205 /nfs/dbraw/zinc/86/22/05/653862205.db2.gz AJKPVAYXPYGCJS-UHFFFAOYSA-N -1 3 381.255 2.022 20 30 GEEDHM Cc1nn(C)c(N2CCN(Cc3ccc(Br)cc3[O-])CC2)c1C#N ZINC000825667361 653936834 /nfs/dbraw/zinc/93/68/34/653936834.db2.gz XMMIWSVNUADINK-UHFFFAOYSA-N -1 3 390.285 2.391 20 30 GEEDHM C#CC[C@@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000826767586 653959958 /nfs/dbraw/zinc/95/99/58/653959958.db2.gz KDQNSSIKJRCDLX-GFCCVEGCSA-N -1 3 389.930 2.125 20 30 GEEDHM COc1cc(Br)c(Cl)cc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848129996 653960115 /nfs/dbraw/zinc/96/01/15/653960115.db2.gz DOVOGVYILCRUGD-SNVBAGLBSA-N -1 3 377.622 2.221 20 30 GEEDHM C#C[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)c(F)c2)C1 ZINC000848470677 653979886 /nfs/dbraw/zinc/97/98/86/653979886.db2.gz IJXBAPRCOBYGNN-ZDUSSCGKSA-N -1 3 388.486 2.011 20 30 GEEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2cccc(Br)c2F)nc1 ZINC000798428294 654062468 /nfs/dbraw/zinc/06/24/68/654062468.db2.gz TWNXLOZYRURCHR-UHFFFAOYSA-N -1 3 399.245 2.245 20 30 GEEDHM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000798485731 654066001 /nfs/dbraw/zinc/06/60/01/654066001.db2.gz AKCZGCJIRSJQHD-SNVBAGLBSA-N -1 3 396.690 2.164 20 30 GEEDHM COc1cc(C=Nn2nnc3c2CCCC3)cc(I)c1[O-] ZINC000901333540 654121296 /nfs/dbraw/zinc/12/12/96/654121296.db2.gz HVNLUTHNZISSGI-UHFFFAOYSA-N -1 3 398.204 2.358 20 30 GEEDHM C#CCC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000804355443 654306511 /nfs/dbraw/zinc/30/65/11/654306511.db2.gz ZLQSZADCAISMPG-UHFFFAOYSA-N -1 3 377.293 2.437 20 30 GEEDHM Cn1nc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)cc1C1CC1 ZINC000921917684 654341773 /nfs/dbraw/zinc/34/17/73/654341773.db2.gz FTEOQKADEHSNLN-UHFFFAOYSA-N -1 3 395.282 2.410 20 30 GEEDHM N#Cc1c(NCc2cccc([O-])c2Br)[nH]nc1N1CCOCC1 ZINC000922361051 654386653 /nfs/dbraw/zinc/38/66/53/654386653.db2.gz ACQLTWGWGOEVMO-UHFFFAOYSA-N -1 3 378.230 2.198 20 30 GEEDHM N#Cc1c(NCc2cccc([O-])c2Br)n[nH]c1N1CCOCC1 ZINC000922361051 654386660 /nfs/dbraw/zinc/38/66/60/654386660.db2.gz ACQLTWGWGOEVMO-UHFFFAOYSA-N -1 3 378.230 2.198 20 30 GEEDHM CCOc1ccc([C@]2(C(=O)N[C@@H]3CCCN([O-])C3=O)CC2(Cl)Cl)cc1 ZINC000908406138 654626760 /nfs/dbraw/zinc/62/67/60/654626760.db2.gz LOYRTHPZILBSAQ-CJNGLKHVSA-N -1 3 387.263 2.397 20 30 GEEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2csc(C#N)c2)C(=O)N1c1ccccc1 ZINC000914195591 654834364 /nfs/dbraw/zinc/83/43/64/654834364.db2.gz RXDZIDOEORTPES-LRDDRELGSA-N -1 3 375.475 2.233 20 30 GEEDHM CCN(C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1cccc(Cl)c1 ZINC000914758641 654857407 /nfs/dbraw/zinc/85/74/07/654857407.db2.gz OLBRRAAFWOXIQG-UHFFFAOYSA-N -1 3 377.853 2.432 20 30 GEEDHM C=CCNc1nnc(SCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)s1 ZINC000007025859 531537069 /nfs/dbraw/zinc/53/70/69/531537069.db2.gz HBNMAIDWVZAOEV-UHFFFAOYSA-N -1 3 384.508 2.483 20 30 GEEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000155233645 531666842 /nfs/dbraw/zinc/66/68/42/531666842.db2.gz JCAPWKUQDNMVND-VIFPVBQESA-N -1 3 377.260 2.437 20 30 GEEDHM C#CCCCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000155846182 531702202 /nfs/dbraw/zinc/70/22/02/531702202.db2.gz GTFSVMDTNBEXOD-GFCCVEGCSA-N -1 3 376.400 2.292 20 30 GEEDHM CC(C)OCCN1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000124451617 532122313 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Cn1ncc2c1ncc(C(=O)N[C@@H](C#N)c1cccc(Br)c1)c2[O-] ZINC000181889283 532307352 /nfs/dbraw/zinc/30/73/52/532307352.db2.gz QNSBMZWDHUKDFX-ZDUSSCGKSA-N -1 3 386.209 2.431 20 30 GEEDHM CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183521161 532325842 /nfs/dbraw/zinc/32/58/42/532325842.db2.gz OUVLFNSZLOSJMZ-UHFFFAOYSA-N -1 3 377.853 2.149 20 30 GEEDHM CS(=O)(=O)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000185328707 532337674 /nfs/dbraw/zinc/33/76/74/532337674.db2.gz VIWMACDWMOHCEE-HNNXBMFYSA-N -1 3 398.893 2.276 20 30 GEEDHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000186660939 532341653 /nfs/dbraw/zinc/34/16/53/532341653.db2.gz BLZWGQJLPRZVIC-QMMMGPOBSA-N -1 3 384.679 2.326 20 30 GEEDHM CC[C@@H](CC#N)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000183951536 532330320 /nfs/dbraw/zinc/33/03/20/532330320.db2.gz KCOIHEBCGWVBQF-JTQLQIEISA-N -1 3 378.281 2.470 20 30 GEEDHM Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000184867752 532335191 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20 30 GEEDHM C=C(C)COCCNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472357627 532572501 /nfs/dbraw/zinc/57/25/01/532572501.db2.gz BYBFBMBXQIAHGB-UHFFFAOYSA-N -1 3 380.388 2.399 20 30 GEEDHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Cc1cccc(C)c1 ZINC000435435862 532618937 /nfs/dbraw/zinc/61/89/37/532618937.db2.gz COSFHKFLBHOKAZ-AWEZNQCLSA-N -1 3 378.475 2.238 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)N2CCc3sccc3C2)c(Cl)c1 ZINC000376177923 532599477 /nfs/dbraw/zinc/59/94/77/532599477.db2.gz MKSMBFQZFVHFQW-UHFFFAOYSA-N -1 3 395.893 2.136 20 30 GEEDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N(C)C[C@@H](C)C#N ZINC000297873775 532610578 /nfs/dbraw/zinc/61/05/78/532610578.db2.gz OIQKVECVZGKBIP-NSHDSACASA-N -1 3 382.258 2.121 20 30 GEEDHM C=C(C)COCC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000474311182 532611701 /nfs/dbraw/zinc/61/17/01/532611701.db2.gz IMLINWVQHQGOLU-UHFFFAOYSA-N -1 3 392.271 2.107 20 30 GEEDHM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000436475578 532635735 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CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C#N)s1 ZINC000330630986 532823130 /nfs/dbraw/zinc/82/31/30/532823130.db2.gz DVJCDTSWYOQJJC-OCCSQVGLSA-N -1 3 383.539 2.423 20 30 GEEDHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330682915 532825678 /nfs/dbraw/zinc/82/56/78/532825678.db2.gz OKKLCOUDZFMJFS-GFCCVEGCSA-N -1 3 386.315 2.472 20 30 GEEDHM CC1(C)CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[C@H]1C#N ZINC000331226427 532836204 /nfs/dbraw/zinc/83/62/04/532836204.db2.gz YAIWOGNLNDZURV-JTQLQIEISA-N -1 3 375.903 2.221 20 30 GEEDHM Cc1noc([C@@H]2CC[C@H](C[N-]S(=O)(=O)c3cc(C#N)ccc3Cl)O2)n1 ZINC000275355517 532873570 /nfs/dbraw/zinc/87/35/70/532873570.db2.gz UTXPGXPNWJFDGU-YPMHNXCESA-N -1 3 382.829 2.102 20 30 GEEDHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)s1 ZINC000276216187 532891038 /nfs/dbraw/zinc/89/10/38/532891038.db2.gz FAGJFNKSUCQPLG-AWEZNQCLSA-N -1 3 385.511 2.397 20 30 GEEDHM CCOc1c(Cl)cc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1OC ZINC000276987981 532904933 /nfs/dbraw/zinc/90/49/33/532904933.db2.gz HYJLZYHCLVVTMK-UHFFFAOYSA-N -1 3 381.841 2.492 20 30 GEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(F)(F)[C@H](C)C2)ccc1F ZINC000292629027 532917090 /nfs/dbraw/zinc/91/70/90/532917090.db2.gz JTGVFKNMVXFHEA-LLVKDONJSA-N -1 3 376.400 2.407 20 30 GEEDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(c2ccc(Cl)c(C#N)n2)C1 ZINC000367887043 532928419 /nfs/dbraw/zinc/92/84/19/532928419.db2.gz RYZQEGOTANCMOG-SNVBAGLBSA-N -1 3 380.861 2.085 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(C(=O)C3CCCCC3)CC2)s1 ZINC000370460494 532943503 /nfs/dbraw/zinc/94/35/03/532943503.db2.gz NMWQCYMLVJZMFO-UHFFFAOYSA-N -1 3 381.523 2.469 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COc1cccc(C=O)c1 ZINC000735420713 598825155 /nfs/dbraw/zinc/82/51/55/598825155.db2.gz QVPVMLUPEZWVFY-UHFFFAOYSA-N -1 3 377.404 2.273 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COc1cccc(C=O)c1 ZINC000735420713 598825156 /nfs/dbraw/zinc/82/51/56/598825156.db2.gz QVPVMLUPEZWVFY-UHFFFAOYSA-N -1 3 377.404 2.273 20 30 GEEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1Br ZINC000737675099 598826261 /nfs/dbraw/zinc/82/62/61/598826261.db2.gz MLQYYAAGIAMTKY-ZDUSSCGKSA-N -1 3 384.197 2.019 20 30 GEEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1Br ZINC000737675099 598826262 /nfs/dbraw/zinc/82/62/62/598826262.db2.gz MLQYYAAGIAMTKY-ZDUSSCGKSA-N -1 3 384.197 2.019 20 30 GEEDHM Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000737526264 598827495 /nfs/dbraw/zinc/82/74/95/598827495.db2.gz ZLHKZUYCYNOHSV-UHFFFAOYSA-N -1 3 391.420 2.006 20 30 GEEDHM Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737526264 598827497 /nfs/dbraw/zinc/82/74/97/598827497.db2.gz ZLHKZUYCYNOHSV-UHFFFAOYSA-N -1 3 391.420 2.006 20 30 GEEDHM C#Cc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000735390276 598839252 /nfs/dbraw/zinc/83/92/52/598839252.db2.gz WOJHOMDEIWTFRF-UHFFFAOYSA-N -1 3 384.403 2.298 20 30 GEEDHM N#C[C@@H]1CN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCO1 ZINC000737678956 598907152 /nfs/dbraw/zinc/90/71/52/598907152.db2.gz MYYDZIRVCDNZPG-CQSZACIVSA-N -1 3 395.448 2.029 20 30 GEEDHM N#Cc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1-c1nnn[n-]1 ZINC000737718920 598917965 /nfs/dbraw/zinc/91/79/65/598917965.db2.gz NWFRVALDJNXKGM-UHFFFAOYSA-N -1 3 395.814 2.034 20 30 GEEDHM N#Cc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1-c1nn[n-]n1 ZINC000737718920 598917966 /nfs/dbraw/zinc/91/79/66/598917966.db2.gz NWFRVALDJNXKGM-UHFFFAOYSA-N -1 3 395.814 2.034 20 30 GEEDHM CCC(=O)c1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736308538 598920651 /nfs/dbraw/zinc/92/06/51/598920651.db2.gz DSSSPDIIGGTXCV-UHFFFAOYSA-N -1 3 376.376 2.349 20 30 GEEDHM CCC(=O)c1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736308538 598920653 /nfs/dbraw/zinc/92/06/53/598920653.db2.gz DSSSPDIIGGTXCV-UHFFFAOYSA-N -1 3 376.376 2.349 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2csc(-c3ccccn3)n2)ccc1-c1nnn[n-]1 ZINC000737708644 598921372 /nfs/dbraw/zinc/92/13/72/598921372.db2.gz HSFSPIFIBSZDLB-UHFFFAOYSA-N -1 3 388.416 2.438 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2csc(-c3ccccn3)n2)ccc1-c1nn[n-]n1 ZINC000737708644 598921374 /nfs/dbraw/zinc/92/13/74/598921374.db2.gz HSFSPIFIBSZDLB-UHFFFAOYSA-N -1 3 388.416 2.438 20 30 GEEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nnn1-c1ccc(C)cc1 ZINC000737305429 598926714 /nfs/dbraw/zinc/92/67/14/598926714.db2.gz INUYVAVRBCWYEQ-UHFFFAOYSA-N -1 3 385.391 2.188 20 30 GEEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nnn1-c1ccc(C)cc1 ZINC000737305429 598926715 /nfs/dbraw/zinc/92/67/15/598926715.db2.gz INUYVAVRBCWYEQ-UHFFFAOYSA-N -1 3 385.391 2.188 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1-c1nn[n-]n1 ZINC000737719019 598928763 /nfs/dbraw/zinc/92/87/63/598928763.db2.gz OLAZGHIGCZKIPG-UHFFFAOYSA-N -1 3 397.398 2.201 20 30 GEEDHM N#Cc1ccc(NC(=O)CSCC(=O)c2ccccc2)cc1-c1nnn[n-]1 ZINC000737716597 598929932 /nfs/dbraw/zinc/92/99/32/598929932.db2.gz SMSWUIJWEBRMST-UHFFFAOYSA-N -1 3 378.417 2.293 20 30 GEEDHM N#Cc1ccc(NC(=O)CSCC(=O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000737716597 598929934 /nfs/dbraw/zinc/92/99/34/598929934.db2.gz SMSWUIJWEBRMST-UHFFFAOYSA-N -1 3 378.417 2.293 20 30 GEEDHM CCOc1cc(C#N)ccc1OS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736628296 598948187 /nfs/dbraw/zinc/94/81/87/598948187.db2.gz VVJWPDZRDRHTAQ-UHFFFAOYSA-N -1 3 385.405 2.213 20 30 GEEDHM CCOc1cc(C#N)ccc1OS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736628296 598948189 /nfs/dbraw/zinc/94/81/89/598948189.db2.gz VVJWPDZRDRHTAQ-UHFFFAOYSA-N -1 3 385.405 2.213 20 30 GEEDHM Cc1ccc(C#N)cc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000737305436 598950524 /nfs/dbraw/zinc/95/05/24/598950524.db2.gz IPYPPGYFHBJYMO-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(C#N)cc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000737305436 598950526 /nfs/dbraw/zinc/95/05/26/598950526.db2.gz IPYPPGYFHBJYMO-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM COc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1OC(=O)C1CC1 ZINC000821712722 607254455 /nfs/dbraw/zinc/25/44/55/607254455.db2.gz LQCBXZLBSAGTKD-UHFFFAOYSA-N -1 3 392.419 2.314 20 30 GEEDHM COc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1OC(=O)C1CC1 ZINC000821712722 607254456 /nfs/dbraw/zinc/25/44/56/607254456.db2.gz LQCBXZLBSAGTKD-UHFFFAOYSA-N -1 3 392.419 2.314 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000735387928 598965453 /nfs/dbraw/zinc/96/54/53/598965453.db2.gz LGKFXLPSDIHFKF-UHFFFAOYSA-N -1 3 378.392 2.209 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000735387928 598965454 /nfs/dbraw/zinc/96/54/54/598965454.db2.gz LGKFXLPSDIHFKF-UHFFFAOYSA-N -1 3 378.392 2.209 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000737222121 599002164 /nfs/dbraw/zinc/00/21/64/599002164.db2.gz WRIYJAFWGBZVCK-UHFFFAOYSA-N -1 3 394.460 2.400 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000737222121 599002166 /nfs/dbraw/zinc/00/21/66/599002166.db2.gz WRIYJAFWGBZVCK-UHFFFAOYSA-N -1 3 394.460 2.400 20 30 GEEDHM COCCN(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736989248 599116396 /nfs/dbraw/zinc/11/63/96/599116396.db2.gz SQVBZUALYJGTKG-AWEZNQCLSA-N -1 3 392.419 2.185 20 30 GEEDHM COc1ccc(C=NNC(=S)Nc2ccc(N(C)C)cc2)cc1-c1nnn[n-]1 ZINC000737080730 599127869 /nfs/dbraw/zinc/12/78/69/599127869.db2.gz HAGVFUIBPWOSQB-UHFFFAOYSA-N -1 3 396.480 2.262 20 30 GEEDHM COc1ccc(C=NNC(=S)Nc2ccc(N(C)C)cc2)cc1-c1nn[n-]n1 ZINC000737080730 599127871 /nfs/dbraw/zinc/12/78/71/599127871.db2.gz HAGVFUIBPWOSQB-UHFFFAOYSA-N -1 3 396.480 2.262 20 30 GEEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)NC(=O)CO3)cc1-c1nnn[n-]1 ZINC000737080488 599153633 /nfs/dbraw/zinc/15/36/33/599153633.db2.gz BOUSWWJQATWZFO-GORDUTHDSA-N -1 3 377.360 2.102 20 30 GEEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)NC(=O)CO3)cc1-c1nn[n-]n1 ZINC000737080488 599153636 /nfs/dbraw/zinc/15/36/36/599153636.db2.gz BOUSWWJQATWZFO-GORDUTHDSA-N -1 3 377.360 2.102 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)cc1-c1nnn[n-]1 ZINC000737718302 599198515 /nfs/dbraw/zinc/19/85/15/599198515.db2.gz HDRLPFATJBIDIU-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)cc1-c1nn[n-]n1 ZINC000737718302 599198517 /nfs/dbraw/zinc/19/85/17/599198517.db2.gz HDRLPFATJBIDIU-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735409918 599217765 /nfs/dbraw/zinc/21/77/65/599217765.db2.gz OPNYZOWRVQAGFU-LBPRGKRZSA-N -1 3 393.407 2.073 20 30 GEEDHM C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819745660 607274148 /nfs/dbraw/zinc/27/41/48/607274148.db2.gz OIBDWFZODSYASJ-UHFFFAOYSA-N -1 3 394.410 2.468 20 30 GEEDHM C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819745660 607274149 /nfs/dbraw/zinc/27/41/49/607274149.db2.gz OIBDWFZODSYASJ-UHFFFAOYSA-N -1 3 394.410 2.468 20 30 GEEDHM N#C[C@@H]1COCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737681449 599281546 /nfs/dbraw/zinc/28/15/46/599281546.db2.gz DZGNBOCFWFXNGW-OAHLLOKOSA-N -1 3 376.376 2.024 20 30 GEEDHM N#C[C@@H]1COCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737681449 599281549 /nfs/dbraw/zinc/28/15/49/599281549.db2.gz DZGNBOCFWFXNGW-OAHLLOKOSA-N -1 3 376.376 2.024 20 30 GEEDHM N#Cc1cccc(OCCN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000737730503 598256724 /nfs/dbraw/zinc/25/67/24/598256724.db2.gz MIMBYPCBUIBPRF-UHFFFAOYSA-N -1 3 393.426 2.078 20 30 GEEDHM N#Cc1ccc(N2CCN(CCOc3ccccc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000737719982 598256860 /nfs/dbraw/zinc/25/68/60/598256860.db2.gz YXTJNRAZJWXAID-UHFFFAOYSA-N -1 3 393.426 2.078 20 30 GEEDHM N#Cc1ccc(N2CCN(CCOc3ccccc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000737719982 598256861 /nfs/dbraw/zinc/25/68/61/598256861.db2.gz YXTJNRAZJWXAID-UHFFFAOYSA-N -1 3 393.426 2.078 20 30 GEEDHM Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1 ZINC000737321012 598273045 /nfs/dbraw/zinc/27/30/45/598273045.db2.gz AYNCFIVQUWCCNN-NSHDSACASA-N -1 3 394.464 2.452 20 30 GEEDHM Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1 ZINC000737321012 598273047 /nfs/dbraw/zinc/27/30/47/598273047.db2.gz AYNCFIVQUWCCNN-NSHDSACASA-N -1 3 394.464 2.452 20 30 GEEDHM N#CCn1cc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737705043 598332216 /nfs/dbraw/zinc/33/22/16/598332216.db2.gz JSYQQROKOQYEHG-UHFFFAOYSA-N -1 3 390.363 2.011 20 30 GEEDHM N#CCn1cc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737705043 598332219 /nfs/dbraw/zinc/33/22/19/598332219.db2.gz JSYQQROKOQYEHG-UHFFFAOYSA-N -1 3 390.363 2.011 20 30 GEEDHM N#Cc1cnc(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c(Cl)c1 ZINC000737728580 598390494 /nfs/dbraw/zinc/39/04/94/598390494.db2.gz RRGIQWUJBNMLBR-UHFFFAOYSA-N -1 3 384.806 2.252 20 30 GEEDHM N#Cc1cnc(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c(Cl)c1 ZINC000737728580 598390495 /nfs/dbraw/zinc/39/04/95/598390495.db2.gz RRGIQWUJBNMLBR-UHFFFAOYSA-N -1 3 384.806 2.252 20 30 GEEDHM CN(CCCNC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736802179 598439788 /nfs/dbraw/zinc/43/97/88/598439788.db2.gz YFHOLWJSNYDPQL-UHFFFAOYSA-N -1 3 394.508 2.191 20 30 GEEDHM CN(CCCNC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736802179 598439789 /nfs/dbraw/zinc/43/97/89/598439789.db2.gz YFHOLWJSNYDPQL-UHFFFAOYSA-N -1 3 394.508 2.191 20 30 GEEDHM N#Cc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)nc1 ZINC000737718115 598459164 /nfs/dbraw/zinc/45/91/64/598459164.db2.gz JSYDWMDKWDJFCA-UHFFFAOYSA-N -1 3 391.395 2.122 20 30 GEEDHM N#Cc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)nc1 ZINC000737718115 598459166 /nfs/dbraw/zinc/45/91/66/598459166.db2.gz JSYDWMDKWDJFCA-UHFFFAOYSA-N -1 3 391.395 2.122 20 30 GEEDHM CC[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(=O)c1ccc(OC)cc1 ZINC000736393543 598492253 /nfs/dbraw/zinc/49/22/53/598492253.db2.gz ZTHFWEQVHVRGTB-AWEZNQCLSA-N -1 3 395.448 2.478 20 30 GEEDHM CC[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)C(=O)c1ccc(OC)cc1 ZINC000736393543 598492254 /nfs/dbraw/zinc/49/22/54/598492254.db2.gz ZTHFWEQVHVRGTB-AWEZNQCLSA-N -1 3 395.448 2.478 20 30 GEEDHM COC[C@](C)(C#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821680228 607358496 /nfs/dbraw/zinc/35/84/96/607358496.db2.gz CVPCOIRUVIRYJE-FQEVSTJZSA-N -1 3 392.419 2.104 20 30 GEEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000024380863 607360799 /nfs/dbraw/zinc/36/07/99/607360799.db2.gz HZYHJZCCXRTICU-GOSISDBHSA-N -1 3 391.410 2.028 20 30 GEEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000024380863 607360801 /nfs/dbraw/zinc/36/08/01/607360801.db2.gz HZYHJZCCXRTICU-GOSISDBHSA-N -1 3 391.410 2.028 20 30 GEEDHM N#Cc1ccc(OC(F)F)c(NC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737722349 598545798 /nfs/dbraw/zinc/54/57/98/598545798.db2.gz SQCRBANDLAHRIH-UHFFFAOYSA-N -1 3 386.318 2.357 20 30 GEEDHM N#Cc1ccc(OC(F)F)c(NC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737722349 598545800 /nfs/dbraw/zinc/54/58/00/598545800.db2.gz SQCRBANDLAHRIH-UHFFFAOYSA-N -1 3 386.318 2.357 20 30 GEEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822802157 607361717 /nfs/dbraw/zinc/36/17/17/607361717.db2.gz WMZWXCHMEKRCTH-GOSISDBHSA-N -1 3 391.410 2.028 20 30 GEEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822802157 607361719 /nfs/dbraw/zinc/36/17/19/607361719.db2.gz WMZWXCHMEKRCTH-GOSISDBHSA-N -1 3 391.410 2.028 20 30 GEEDHM N#CC1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CCOCC1 ZINC000737673835 598581983 /nfs/dbraw/zinc/58/19/83/598581983.db2.gz DLAWEHSHGMYOIL-UHFFFAOYSA-N -1 3 391.391 2.313 20 30 GEEDHM N#CC1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CCOCC1 ZINC000737673835 598581985 /nfs/dbraw/zinc/58/19/85/598581985.db2.gz DLAWEHSHGMYOIL-UHFFFAOYSA-N -1 3 391.391 2.313 20 30 GEEDHM C#CCNC(=O)[C@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735380317 598615612 /nfs/dbraw/zinc/61/56/12/598615612.db2.gz FTBITIBFAVGNTJ-ZDUSSCGKSA-N -1 3 394.410 2.135 20 30 GEEDHM C#CCNC(=O)[C@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735380317 598615614 /nfs/dbraw/zinc/61/56/14/598615614.db2.gz FTBITIBFAVGNTJ-ZDUSSCGKSA-N -1 3 394.410 2.135 20 30 GEEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735427883 598622594 /nfs/dbraw/zinc/62/25/94/598622594.db2.gz HYBBIWCELLWBPR-CQSZACIVSA-N -1 3 394.435 2.122 20 30 GEEDHM C=CCNC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735427882 598622949 /nfs/dbraw/zinc/62/29/49/598622949.db2.gz HYBBIWCELLWBPR-AWEZNQCLSA-N -1 3 394.435 2.122 20 30 GEEDHM N#Cc1c(F)cccc1N1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000737706083 598680951 /nfs/dbraw/zinc/68/09/51/598680951.db2.gz VXTSNXJRWFLBEM-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1c(F)cccc1N1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000737706083 598680953 /nfs/dbraw/zinc/68/09/53/598680953.db2.gz VXTSNXJRWFLBEM-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM C#Cc1ccc(C(=O)OCc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)cn1 ZINC000735390240 598780385 /nfs/dbraw/zinc/78/03/85/598780385.db2.gz UTJKDXJHFSZEAB-UHFFFAOYSA-N -1 3 385.387 2.094 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820446373 599325030 /nfs/dbraw/zinc/32/50/30/599325030.db2.gz VOUYEIYUEBOQTF-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820446373 599325031 /nfs/dbraw/zinc/32/50/31/599325031.db2.gz VOUYEIYUEBOQTF-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC(=O)c1ccc(F)c(Cl)c1 ZINC000737706728 599367821 /nfs/dbraw/zinc/36/78/21/599367821.db2.gz YQDXOAZWLWUGCP-UHFFFAOYSA-N -1 3 389.803 2.483 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCC(=O)c1ccc(F)c(Cl)c1 ZINC000737706728 599367823 /nfs/dbraw/zinc/36/78/23/599367823.db2.gz YQDXOAZWLWUGCP-UHFFFAOYSA-N -1 3 389.803 2.483 20 30 GEEDHM Cc1ccc(C)c(NC(=S)NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000737327226 599456755 /nfs/dbraw/zinc/45/67/55/599456755.db2.gz XOIQGFUPSPGBHE-UHFFFAOYSA-N -1 3 391.464 2.452 20 30 GEEDHM Cc1ccc(C)c(NC(=S)NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000737327226 599456758 /nfs/dbraw/zinc/45/67/58/599456758.db2.gz XOIQGFUPSPGBHE-UHFFFAOYSA-N -1 3 391.464 2.452 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccc(C#N)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117748 607381290 /nfs/dbraw/zinc/38/12/90/607381290.db2.gz RDCRZXGHWHCCBG-INIZCTEOSA-N -1 3 377.360 2.118 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccc(C#N)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117748 607381292 /nfs/dbraw/zinc/38/12/92/607381292.db2.gz RDCRZXGHWHCCBG-INIZCTEOSA-N -1 3 377.360 2.118 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N(CC#N)C1CCCC1 ZINC000737032233 599549914 /nfs/dbraw/zinc/54/99/14/599549914.db2.gz GDDXKKVXJRFOQQ-UHFFFAOYSA-N -1 3 384.440 2.329 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N(CC#N)C1CCCC1 ZINC000737032233 599549917 /nfs/dbraw/zinc/54/99/17/599549917.db2.gz GDDXKKVXJRFOQQ-UHFFFAOYSA-N -1 3 384.440 2.329 20 30 GEEDHM C=CCOCCCC(=O)OCc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000819759165 599668514 /nfs/dbraw/zinc/66/85/14/599668514.db2.gz PKHRLJPOFRJWSI-UHFFFAOYSA-N -1 3 382.424 2.387 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826257340 607390177 /nfs/dbraw/zinc/39/01/77/607390177.db2.gz YIEJIMSMJBMBNF-KRWDZBQOSA-N -1 3 388.387 2.009 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826257340 607390179 /nfs/dbraw/zinc/39/01/79/607390179.db2.gz YIEJIMSMJBMBNF-KRWDZBQOSA-N -1 3 388.387 2.009 20 30 GEEDHM N#Cc1ccc(OCCNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826386022 607459236 /nfs/dbraw/zinc/45/92/36/607459236.db2.gz LQKFCUVKONXHIE-UHFFFAOYSA-N -1 3 389.419 2.106 20 30 GEEDHM N#Cc1ccc(OCCNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826386022 607459237 /nfs/dbraw/zinc/45/92/37/607459237.db2.gz LQKFCUVKONXHIE-UHFFFAOYSA-N -1 3 389.419 2.106 20 30 GEEDHM CC(C)c1nc(CN(C)[C@H]2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)no1 ZINC000827152150 601028118 /nfs/dbraw/zinc/02/81/18/601028118.db2.gz AXARBZWNXNXIIS-WMZOPIPTSA-N -1 3 383.452 2.397 20 30 GEEDHM COc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1-c1nnn[n-]1 ZINC000826195231 607493387 /nfs/dbraw/zinc/49/33/87/607493387.db2.gz MCCFAZJGJDNWHN-UHFFFAOYSA-N -1 3 375.436 2.069 20 30 GEEDHM COc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1-c1nn[n-]n1 ZINC000826195231 607493388 /nfs/dbraw/zinc/49/33/88/607493388.db2.gz MCCFAZJGJDNWHN-UHFFFAOYSA-N -1 3 375.436 2.069 20 30 GEEDHM N#Cc1ccccc1OCC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833074946 601729847 /nfs/dbraw/zinc/72/98/47/601729847.db2.gz HASOHICFYLACRP-QFIPXVFZSA-N -1 3 393.443 2.173 20 30 GEEDHM O=C([O-])c1cc(C=NNC(=S)NC2CCN(Cc3ccccc3)CC2)c[nH]1 ZINC000814726873 601796120 /nfs/dbraw/zinc/79/61/20/601796120.db2.gz FHYQWIAIRIIQJO-UHFFFAOYSA-N -1 3 385.493 2.176 20 30 GEEDHM C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823850592 607546316 /nfs/dbraw/zinc/54/63/16/607546316.db2.gz SCIHCOXYGLBYMD-UHFFFAOYSA-N -1 3 385.424 2.138 20 30 GEEDHM C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823850592 607546317 /nfs/dbraw/zinc/54/63/17/607546317.db2.gz SCIHCOXYGLBYMD-UHFFFAOYSA-N -1 3 385.424 2.138 20 30 GEEDHM COc1ccc(CNC(=O)N(C)Cc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826197751 607574483 /nfs/dbraw/zinc/57/44/83/607574483.db2.gz BUXZJMRSNLXYMF-UHFFFAOYSA-N -1 3 377.408 2.089 20 30 GEEDHM COc1ccc(CNC(=O)N(C)Cc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826197751 607574484 /nfs/dbraw/zinc/57/44/84/607574484.db2.gz BUXZJMRSNLXYMF-UHFFFAOYSA-N -1 3 377.408 2.089 20 30 GEEDHM N#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826382252 607581013 /nfs/dbraw/zinc/58/10/13/607581013.db2.gz VMQXJQIHDXISFU-UHFFFAOYSA-N -1 3 392.828 2.218 20 30 GEEDHM N#Cc1cc(F)ccc1S(=O)(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826384489 607601198 /nfs/dbraw/zinc/60/11/98/607601198.db2.gz XRVYQXXJVOZXPS-UHFFFAOYSA-N -1 3 398.423 2.231 20 30 GEEDHM N#Cc1cc(F)ccc1S(=O)(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826384489 607601199 /nfs/dbraw/zinc/60/11/99/607601199.db2.gz XRVYQXXJVOZXPS-UHFFFAOYSA-N -1 3 398.423 2.231 20 30 GEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826383375 607612250 /nfs/dbraw/zinc/61/22/50/607612250.db2.gz XVZRIEOLXGTZHS-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826383375 607612252 /nfs/dbraw/zinc/61/22/52/607612252.db2.gz XVZRIEOLXGTZHS-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM Cc1csc(=NC[C@H]2CCCO2)n1N=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826320018 607634142 /nfs/dbraw/zinc/63/41/42/607634142.db2.gz DDVKPBGUYIOEKZ-GFCCVEGCSA-N -1 3 375.483 2.062 20 30 GEEDHM Cc1csc(=NC[C@H]2CCCO2)n1N=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826320018 607634143 /nfs/dbraw/zinc/63/41/43/607634143.db2.gz DDVKPBGUYIOEKZ-GFCCVEGCSA-N -1 3 375.483 2.062 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000824641807 607655566 /nfs/dbraw/zinc/65/55/66/607655566.db2.gz ZDPMDOZZUNRVJA-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000827015377 604512823 /nfs/dbraw/zinc/51/28/23/604512823.db2.gz CFSCBABVOWVJLK-RHSMWYFYSA-N -1 3 382.420 2.034 20 30 GEEDHM Cc1ccc2c(n1)c(=O)c(C#N)cn2CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826294890 607715609 /nfs/dbraw/zinc/71/56/09/607715609.db2.gz IAKYXGBWBDTAHI-UHFFFAOYSA-N -1 3 387.403 2.226 20 30 GEEDHM N#Cc1ccc(N2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cn1 ZINC000822829651 606064608 /nfs/dbraw/zinc/06/46/08/606064608.db2.gz BSCVGSFQFHPUPY-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccc(N2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cn1 ZINC000822829651 606064613 /nfs/dbraw/zinc/06/46/13/606064613.db2.gz BSCVGSFQFHPUPY-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000819933303 606127267 /nfs/dbraw/zinc/12/72/67/606127267.db2.gz MWNLZXUKWWKNIQ-IBGZPJMESA-N -1 3 397.439 2.324 20 30 GEEDHM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000819933303 606127269 /nfs/dbraw/zinc/12/72/69/606127269.db2.gz MWNLZXUKWWKNIQ-IBGZPJMESA-N -1 3 397.439 2.324 20 30 GEEDHM COCCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000821688186 606127913 /nfs/dbraw/zinc/12/79/13/606127913.db2.gz BGFBHLJAKIOZAJ-UHFFFAOYSA-N -1 3 378.392 2.406 20 30 GEEDHM COCCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000821688186 606127915 /nfs/dbraw/zinc/12/79/15/606127915.db2.gz BGFBHLJAKIOZAJ-UHFFFAOYSA-N -1 3 378.392 2.406 20 30 GEEDHM NC(=NOCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Br)o1 ZINC000822845683 606178435 /nfs/dbraw/zinc/17/84/35/606178435.db2.gz CYNIWMJKJHYGIF-UHFFFAOYSA-N -1 3 381.165 2.198 20 30 GEEDHM NC(=NOCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Br)o1 ZINC000822845683 606178437 /nfs/dbraw/zinc/17/84/37/606178437.db2.gz CYNIWMJKJHYGIF-UHFFFAOYSA-N -1 3 381.165 2.198 20 30 GEEDHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000821411845 606246731 /nfs/dbraw/zinc/24/67/31/606246731.db2.gz CBBCTDOEAIADEM-MRXNPFEDSA-N -1 3 389.419 2.354 20 30 GEEDHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000821411845 606246733 /nfs/dbraw/zinc/24/67/33/606246733.db2.gz CBBCTDOEAIADEM-MRXNPFEDSA-N -1 3 389.419 2.354 20 30 GEEDHM C#CCOc1cc(F)ccc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819709604 606249702 /nfs/dbraw/zinc/24/97/02/606249702.db2.gz LUSQKXGGQBNZID-QGZVFWFLSA-N -1 3 392.394 2.235 20 30 GEEDHM C#CCOc1cc(F)ccc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819709604 606249704 /nfs/dbraw/zinc/24/97/04/606249704.db2.gz LUSQKXGGQBNZID-QGZVFWFLSA-N -1 3 392.394 2.235 20 30 GEEDHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@@H]2CCN(c3sccc3C#N)C2=O)n1 ZINC000822427408 606311242 /nfs/dbraw/zinc/31/12/42/606311242.db2.gz MPTYAPHHNAJPPV-LLVKDONJSA-N -1 3 398.477 2.104 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821578286 606388773 /nfs/dbraw/zinc/38/87/73/606388773.db2.gz WXWXWEQDWOOGLM-VQHVLOKHSA-N -1 3 383.433 2.291 20 30 GEEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(-c2nn[nH]n2)cs1 ZINC000821437182 606461076 /nfs/dbraw/zinc/46/10/76/606461076.db2.gz KZQUSTYCVSZXDS-NSHDSACASA-N -1 3 382.405 2.288 20 30 GEEDHM N#Cc1cccc(CC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000822837622 606526865 /nfs/dbraw/zinc/52/68/65/606526865.db2.gz PSHPMNCRDDORRH-UHFFFAOYSA-N -1 3 387.447 2.020 20 30 GEEDHM N#Cc1cccc(CC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000822837622 606526867 /nfs/dbraw/zinc/52/68/67/606526867.db2.gz PSHPMNCRDDORRH-UHFFFAOYSA-N -1 3 387.447 2.020 20 30 GEEDHM N#Cc1cccc(-c2nnc(COC(=O)c3cc(-c4nnn[n-]4)cs3)o2)c1 ZINC000822837339 606564653 /nfs/dbraw/zinc/56/46/53/606564653.db2.gz KHFWRPYCVLVFMH-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM N#Cc1cccc(-c2nnc(COC(=O)c3cc(-c4nn[n-]n4)cs3)o2)c1 ZINC000822837339 606564654 /nfs/dbraw/zinc/56/46/54/606564654.db2.gz KHFWRPYCVLVFMH-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM C=CCn1c(N)nnc1SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819758661 606588708 /nfs/dbraw/zinc/58/87/08/606588708.db2.gz DOGCRIJGLQHWCE-UHFFFAOYSA-N -1 3 380.384 2.120 20 30 GEEDHM C=CCn1c(N)nnc1SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819758661 606588710 /nfs/dbraw/zinc/58/87/10/606588710.db2.gz DOGCRIJGLQHWCE-UHFFFAOYSA-N -1 3 380.384 2.120 20 30 GEEDHM COCCN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688348 606682783 /nfs/dbraw/zinc/68/27/83/606682783.db2.gz IGFQBFDIYLRPNI-UHFFFAOYSA-N -1 3 384.346 2.310 20 30 GEEDHM COCCN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688348 606682784 /nfs/dbraw/zinc/68/27/84/606682784.db2.gz IGFQBFDIYLRPNI-UHFFFAOYSA-N -1 3 384.346 2.310 20 30 GEEDHM FC(F)(F)c1csc(N=NCc2cnc3ccc(-c4nnn[n-]4)cn23)n1 ZINC000822728947 606704387 /nfs/dbraw/zinc/70/43/87/606704387.db2.gz NRRAHJJYGJEIMC-UHFFFAOYSA-N -1 3 379.331 2.436 20 30 GEEDHM FC(F)(F)c1csc(N=NCc2cnc3ccc(-c4nn[n-]n4)cn23)n1 ZINC000822728947 606704388 /nfs/dbraw/zinc/70/43/88/606704388.db2.gz NRRAHJJYGJEIMC-UHFFFAOYSA-N -1 3 379.331 2.436 20 30 GEEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000820530181 606745511 /nfs/dbraw/zinc/74/55/11/606745511.db2.gz XKTBLWLMXMZWII-LLVKDONJSA-N -1 3 382.355 2.314 20 30 GEEDHM C=C(C)COCCNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819722286 606799048 /nfs/dbraw/zinc/79/90/48/606799048.db2.gz FXAQWIGHRVPBNI-UHFFFAOYSA-N -1 3 386.456 2.012 20 30 GEEDHM C=C(C)COCCNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819722286 606799049 /nfs/dbraw/zinc/79/90/49/606799049.db2.gz FXAQWIGHRVPBNI-UHFFFAOYSA-N -1 3 386.456 2.012 20 30 GEEDHM C=C(C)COCCNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000819723109 606803974 /nfs/dbraw/zinc/80/39/74/606803974.db2.gz ZBRYDVZFLCKAOS-UHFFFAOYSA-N -1 3 383.408 2.361 20 30 GEEDHM C=C(C)COCCNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000819723109 606803976 /nfs/dbraw/zinc/80/39/76/606803976.db2.gz ZBRYDVZFLCKAOS-UHFFFAOYSA-N -1 3 383.408 2.361 20 30 GEEDHM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000819745962 606841259 /nfs/dbraw/zinc/84/12/59/606841259.db2.gz WVBLJRWYLSFFQZ-UHFFFAOYSA-N -1 3 398.423 2.254 20 30 GEEDHM CCCCCCCN(CCOC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821056804 606980303 /nfs/dbraw/zinc/98/03/03/606980303.db2.gz XQNNGBAZUHRWFN-UHFFFAOYSA-N -1 3 381.502 2.474 20 30 GEEDHM CCCCCCCN(CCOC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821056804 606980305 /nfs/dbraw/zinc/98/03/05/606980305.db2.gz XQNNGBAZUHRWFN-UHFFFAOYSA-N -1 3 381.502 2.474 20 30 GEEDHM CCS[C@H](C)c1noc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)n1 ZINC000821447321 606980476 /nfs/dbraw/zinc/98/04/76/606980476.db2.gz JAXHAVQZHIKWLE-SSDOTTSWSA-N -1 3 389.470 2.205 20 30 GEEDHM CCS[C@H](C)c1noc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)n1 ZINC000821447321 606980478 /nfs/dbraw/zinc/98/04/78/606980478.db2.gz JAXHAVQZHIKWLE-SSDOTTSWSA-N -1 3 389.470 2.205 20 30 GEEDHM CCS[C@H](C)c1noc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)n1 ZINC000821449053 606980524 /nfs/dbraw/zinc/98/05/24/606980524.db2.gz PZPAGSKCBGEXKX-SSDOTTSWSA-N -1 3 389.470 2.205 20 30 GEEDHM CCS[C@H](C)c1noc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)n1 ZINC000821449053 606980526 /nfs/dbraw/zinc/98/05/26/606980526.db2.gz PZPAGSKCBGEXKX-SSDOTTSWSA-N -1 3 389.470 2.205 20 30 GEEDHM N#Cc1c(F)cccc1N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000822819613 607059072 /nfs/dbraw/zinc/05/90/72/607059072.db2.gz YGDKMTQQQDHEKQ-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1c(F)cccc1N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000822819613 607059073 /nfs/dbraw/zinc/05/90/73/607059073.db2.gz YGDKMTQQQDHEKQ-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#CCCNC(=O)CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822811002 607126110 /nfs/dbraw/zinc/12/61/10/607126110.db2.gz QKWSJFCDKCSWQJ-UHFFFAOYSA-N -1 3 395.398 2.027 20 30 GEEDHM N#CCCNC(=O)CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822811002 607126112 /nfs/dbraw/zinc/12/61/12/607126112.db2.gz QKWSJFCDKCSWQJ-UHFFFAOYSA-N -1 3 395.398 2.027 20 30 GEEDHM N#Cc1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000822822671 607143215 /nfs/dbraw/zinc/14/32/15/607143215.db2.gz ASSVAZXHXZWQMB-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000822822671 607143216 /nfs/dbraw/zinc/14/32/16/607143216.db2.gz ASSVAZXHXZWQMB-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM Cc1ccccc1NC(=O)CCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000822361672 607160484 /nfs/dbraw/zinc/16/04/84/607160484.db2.gz FQUNIGGUYGAHPF-UHFFFAOYSA-N -1 3 380.437 2.145 20 30 GEEDHM Cc1ccccc1NC(=O)CCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000822361672 607160485 /nfs/dbraw/zinc/16/04/85/607160485.db2.gz FQUNIGGUYGAHPF-UHFFFAOYSA-N -1 3 380.437 2.145 20 30 GEEDHM N#Cc1ccc(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822833602 607248814 /nfs/dbraw/zinc/24/88/14/607248814.db2.gz SMLSHRQTXLHPLV-MRXNPFEDSA-N -1 3 378.367 2.452 20 30 GEEDHM N#CCc1ccc(OC[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826382723 607872658 /nfs/dbraw/zinc/87/26/58/607872658.db2.gz RSQXLKFNDRPRLN-CQSZACIVSA-N -1 3 385.811 2.405 20 30 GEEDHM N#CCc1ccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826382723 607872659 /nfs/dbraw/zinc/87/26/59/607872659.db2.gz RSQXLKFNDRPRLN-CQSZACIVSA-N -1 3 385.811 2.405 20 30 GEEDHM CN(C)S(=O)(=O)c1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825875553 607883294 /nfs/dbraw/zinc/88/32/94/607883294.db2.gz SSKDHTCGQRJLSV-XFXZXTDPSA-N -1 3 383.433 2.013 20 30 GEEDHM CN(C)S(=O)(=O)c1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825875553 607883295 /nfs/dbraw/zinc/88/32/95/607883295.db2.gz SSKDHTCGQRJLSV-XFXZXTDPSA-N -1 3 383.433 2.013 20 30 GEEDHM C#CCN(Cc1ccc(F)cc1)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000823851070 607921002 /nfs/dbraw/zinc/92/10/02/607921002.db2.gz YPKFHKHEZGFDTR-UHFFFAOYSA-N -1 3 379.395 2.428 20 30 GEEDHM COc1ccc(CN2C(=O)CSC2=CC(=O)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826193360 607971895 /nfs/dbraw/zinc/97/18/95/607971895.db2.gz BEPOCKHJKGQCJZ-PXNMLYILSA-N -1 3 387.465 2.407 20 30 GEEDHM COc1ccc(CN2C(=O)CSC2=CC(=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826193360 607971896 /nfs/dbraw/zinc/97/18/96/607971896.db2.gz BEPOCKHJKGQCJZ-PXNMLYILSA-N -1 3 387.465 2.407 20 30 GEEDHM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826213368 608028385 /nfs/dbraw/zinc/02/83/85/608028385.db2.gz VEYZFILOLMWCAF-GFCCVEGCSA-N -1 3 376.376 2.252 20 30 GEEDHM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000826213368 608028386 /nfs/dbraw/zinc/02/83/86/608028386.db2.gz VEYZFILOLMWCAF-GFCCVEGCSA-N -1 3 376.376 2.252 20 30 GEEDHM COc1ccc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)cc1-c1nnn[n-]1 ZINC000826195173 608067583 /nfs/dbraw/zinc/06/75/83/608067583.db2.gz KKCWDCDDKLPTAP-LJQANCHMSA-N -1 3 376.420 2.320 20 30 GEEDHM COc1ccc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)cc1-c1nn[n-]n1 ZINC000826195173 608067584 /nfs/dbraw/zinc/06/75/84/608067584.db2.gz KKCWDCDDKLPTAP-LJQANCHMSA-N -1 3 376.420 2.320 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CCO2)c1 ZINC000826386944 608083324 /nfs/dbraw/zinc/08/33/24/608083324.db2.gz ZEBMXQGSFQKQMH-MRXNPFEDSA-N -1 3 396.357 2.230 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CCO2)c1 ZINC000826386944 608083325 /nfs/dbraw/zinc/08/33/25/608083325.db2.gz ZEBMXQGSFQKQMH-MRXNPFEDSA-N -1 3 396.357 2.230 20 30 GEEDHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCC[C@](C)(C#N)C1 ZINC000824051727 608125493 /nfs/dbraw/zinc/12/54/93/608125493.db2.gz COIFGHCAYVJRQW-ADLMAVQZSA-N -1 3 385.497 2.370 20 30 GEEDHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCC[C@](C)(C#N)C1 ZINC000824051727 608125494 /nfs/dbraw/zinc/12/54/94/608125494.db2.gz COIFGHCAYVJRQW-ADLMAVQZSA-N -1 3 385.497 2.370 20 30 GEEDHM N#Cc1ccc(C2=CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385075 608460347 /nfs/dbraw/zinc/46/03/47/608460347.db2.gz WDOPPVKIRJNCHA-LJQANCHMSA-N -1 3 385.431 2.054 20 30 GEEDHM C=CCOc1cccnc1C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000823932335 608473885 /nfs/dbraw/zinc/47/38/85/608473885.db2.gz VEUMLADQMABDBB-ZDUSSCGKSA-N -1 3 381.392 2.451 20 30 GEEDHM C=CCOc1cccnc1C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000823932335 608473887 /nfs/dbraw/zinc/47/38/87/608473887.db2.gz VEUMLADQMABDBB-ZDUSSCGKSA-N -1 3 381.392 2.451 20 30 GEEDHM C#Cc1cccc(NC(=O)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000823861529 608492649 /nfs/dbraw/zinc/49/26/49/608492649.db2.gz LUSGBYVHDXOFOC-UHFFFAOYSA-N -1 3 398.426 2.102 20 30 GEEDHM C#Cc1cccc(NC(=O)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000823861529 608492650 /nfs/dbraw/zinc/49/26/50/608492650.db2.gz LUSGBYVHDXOFOC-UHFFFAOYSA-N -1 3 398.426 2.102 20 30 GEEDHM Clc1cc(-c2nnn[n-]2)cc([N-][NH+]=Cc2ccccc2N2CCOCC2)n1 ZINC000826350349 608541249 /nfs/dbraw/zinc/54/12/49/608541249.db2.gz RRLLJEUDSLZISR-UHFFFAOYSA-N -1 3 384.831 2.198 20 30 GEEDHM Clc1cc(-c2nn[n-]n2)cc([N-][NH+]=Cc2ccccc2N2CCOCC2)n1 ZINC000826350349 608541250 /nfs/dbraw/zinc/54/12/50/608541250.db2.gz RRLLJEUDSLZISR-UHFFFAOYSA-N -1 3 384.831 2.198 20 30 GEEDHM COc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1OCC#N ZINC000826178968 608542212 /nfs/dbraw/zinc/54/22/12/608542212.db2.gz SNJKHUWLPNTUTM-UHFFFAOYSA-N -1 3 384.787 2.272 20 30 GEEDHM COc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1OCC#N ZINC000826178968 608542213 /nfs/dbraw/zinc/54/22/13/608542213.db2.gz SNJKHUWLPNTUTM-UHFFFAOYSA-N -1 3 384.787 2.272 20 30 GEEDHM C=CC[C@@H](CO)CNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823888182 608561837 /nfs/dbraw/zinc/56/18/37/608561837.db2.gz GUSWTDWWCYXNSZ-OAHLLOKOSA-N -1 3 393.447 2.360 20 30 GEEDHM C=CC[C@@H](CO)CNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823888182 608561838 /nfs/dbraw/zinc/56/18/38/608561838.db2.gz GUSWTDWWCYXNSZ-OAHLLOKOSA-N -1 3 393.447 2.360 20 30 GEEDHM N#C[C@@H]1CN(Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000826380893 608685531 /nfs/dbraw/zinc/68/55/31/608685531.db2.gz PQYHJIMQRLIZPU-GOSISDBHSA-N -1 3 376.420 2.170 20 30 GEEDHM N#C[C@@H]1CN(Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCO1 ZINC000826380893 608685534 /nfs/dbraw/zinc/68/55/34/608685534.db2.gz PQYHJIMQRLIZPU-GOSISDBHSA-N -1 3 376.420 2.170 20 30 GEEDHM N#CCCCOc1cccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826381437 609206935 /nfs/dbraw/zinc/20/69/35/609206935.db2.gz LXUMDDRCIXGTJL-KRWDZBQOSA-N -1 3 378.392 2.221 20 30 GEEDHM N#CCCCOc1cccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826381437 609206937 /nfs/dbraw/zinc/20/69/37/609206937.db2.gz LXUMDDRCIXGTJL-KRWDZBQOSA-N -1 3 378.392 2.221 20 30 GEEDHM N#CCc1ccccc1CC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826382571 609244747 /nfs/dbraw/zinc/24/47/47/609244747.db2.gz KJQVDIPOWUESBB-UHFFFAOYSA-N -1 3 377.404 2.488 20 30 GEEDHM N#CCc1ccccc1CC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826382571 609244749 /nfs/dbraw/zinc/24/47/49/609244749.db2.gz KJQVDIPOWUESBB-UHFFFAOYSA-N -1 3 377.404 2.488 20 30 GEEDHM N#CC1(c2ccc(C(=O)OCCNc3ncccc3-c3nnn[n-]3)cc2)CC1 ZINC000826380926 609256855 /nfs/dbraw/zinc/25/68/55/609256855.db2.gz QNMPPDPLVFSUGY-UHFFFAOYSA-N -1 3 375.392 2.086 20 30 GEEDHM N#CC1(c2ccc(C(=O)OCCNc3ncccc3-c3nn[n-]n3)cc2)CC1 ZINC000826380926 609256856 /nfs/dbraw/zinc/25/68/56/609256856.db2.gz QNMPPDPLVFSUGY-UHFFFAOYSA-N -1 3 375.392 2.086 20 30 GEEDHM N#CCc1ccccc1CC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826382892 609260740 /nfs/dbraw/zinc/26/07/40/609260740.db2.gz ZJFPZBSTWWUQAK-UHFFFAOYSA-N -1 3 398.430 2.182 20 30 GEEDHM N#CCc1ccccc1CC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826382892 609260741 /nfs/dbraw/zinc/26/07/41/609260741.db2.gz ZJFPZBSTWWUQAK-UHFFFAOYSA-N -1 3 398.430 2.182 20 30 GEEDHM Cc1nnc(SCC(=O)N(CCC#N)c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000826336788 609307022 /nfs/dbraw/zinc/30/70/22/609307022.db2.gz NYQJJJGEHPKIMJ-UHFFFAOYSA-N -1 3 394.464 2.313 20 30 GEEDHM Cc1nnc(SCC(=O)N(CCC#N)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826336788 609307024 /nfs/dbraw/zinc/30/70/24/609307024.db2.gz NYQJJJGEHPKIMJ-UHFFFAOYSA-N -1 3 394.464 2.313 20 30 GEEDHM Cn1cc(C=C2CCc3c(cnn3C)C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359229 609309523 /nfs/dbraw/zinc/30/95/23/609309523.db2.gz AJAHBGMWWGWQRS-ZROIWOOFSA-N -1 3 386.419 2.213 20 30 GEEDHM Cn1cc(C=C2CCc3c(cnn3C)C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359229 609309525 /nfs/dbraw/zinc/30/95/25/609309525.db2.gz AJAHBGMWWGWQRS-ZROIWOOFSA-N -1 3 386.419 2.213 20 30 GEEDHM C#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)nc1 ZINC000823861511 609344295 /nfs/dbraw/zinc/34/42/95/609344295.db2.gz LBWGOOKCOMUAIW-UHFFFAOYSA-N -1 3 384.193 2.363 20 30 GEEDHM C#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)nc1 ZINC000823861511 609344296 /nfs/dbraw/zinc/34/42/96/609344296.db2.gz LBWGOOKCOMUAIW-UHFFFAOYSA-N -1 3 384.193 2.363 20 30 GEEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)nc1 ZINC000826384953 609346790 /nfs/dbraw/zinc/34/67/90/609346790.db2.gz RBOCXLXYKUTTNU-UHFFFAOYSA-N -1 3 385.181 2.253 20 30 GEEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)nc1 ZINC000826384953 609346791 /nfs/dbraw/zinc/34/67/91/609346791.db2.gz RBOCXLXYKUTTNU-UHFFFAOYSA-N -1 3 385.181 2.253 20 30 GEEDHM N#C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000826381163 609382178 /nfs/dbraw/zinc/38/21/78/609382178.db2.gz ZMLLWRCOLWKRRW-ZDUSSCGKSA-N -1 3 376.376 2.024 20 30 GEEDHM N#C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000826381163 609382180 /nfs/dbraw/zinc/38/21/80/609382180.db2.gz ZMLLWRCOLWKRRW-ZDUSSCGKSA-N -1 3 376.376 2.024 20 30 GEEDHM C=CCn1c(C)nnc1S[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823937328 609407830 /nfs/dbraw/zinc/40/78/30/609407830.db2.gz RZEFXMIINJLSKB-HNNXBMFYSA-N -1 3 396.480 2.240 20 30 GEEDHM C=CCn1c(C)nnc1S[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823937328 609407833 /nfs/dbraw/zinc/40/78/33/609407833.db2.gz RZEFXMIINJLSKB-HNNXBMFYSA-N -1 3 396.480 2.240 20 30 GEEDHM CC(=O)c1ccc(C#N)cc1N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824019902 609420846 /nfs/dbraw/zinc/42/08/46/609420846.db2.gz UFZDXUAFAHBNOP-UHFFFAOYSA-N -1 3 391.410 2.407 20 30 GEEDHM CC(=O)c1ccc(C#N)cc1N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824019902 609420849 /nfs/dbraw/zinc/42/08/49/609420849.db2.gz UFZDXUAFAHBNOP-UHFFFAOYSA-N -1 3 391.410 2.407 20 30 GEEDHM Cc1cc(C(=O)N2CCC(CC#N)CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257390 609423664 /nfs/dbraw/zinc/42/36/64/609423664.db2.gz AHAIUHJYRMURNN-UHFFFAOYSA-N -1 3 376.424 2.127 20 30 GEEDHM Cc1cc(C(=O)N2CCC(CC#N)CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257390 609423666 /nfs/dbraw/zinc/42/36/66/609423666.db2.gz AHAIUHJYRMURNN-UHFFFAOYSA-N -1 3 376.424 2.127 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H](OC(=O)c3cccc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000826385396 609459602 /nfs/dbraw/zinc/45/96/02/609459602.db2.gz KEJKYOOGYZERCY-KRWDZBQOSA-N -1 3 388.387 2.091 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H](OC(=O)c3cccc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000826385396 609459604 /nfs/dbraw/zinc/45/96/04/609459604.db2.gz KEJKYOOGYZERCY-KRWDZBQOSA-N -1 3 388.387 2.091 20 30 GEEDHM Clc1cc(NN=Cc2cn(Cc3cccnc3)nn2)ccc1-c1nnn[n-]1 ZINC000826351715 609472018 /nfs/dbraw/zinc/47/20/18/609472018.db2.gz XKQQWISTQISULQ-UHFFFAOYSA-N -1 3 380.803 2.001 20 30 GEEDHM Clc1cc(NN=Cc2cn(Cc3cccnc3)nn2)ccc1-c1nn[n-]n1 ZINC000826351715 609472021 /nfs/dbraw/zinc/47/20/21/609472021.db2.gz XKQQWISTQISULQ-UHFFFAOYSA-N -1 3 380.803 2.001 20 30 GEEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(-n2cnnn2)c1 ZINC000823958464 609472838 /nfs/dbraw/zinc/47/28/38/609472838.db2.gz NZKVMVIHXUQNKA-UHFFFAOYSA-N -1 3 380.803 2.332 20 30 GEEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(-n2cnnn2)cc1 ZINC000823958823 609473322 /nfs/dbraw/zinc/47/33/22/609473322.db2.gz YBTNCWCPMDVWQJ-UHFFFAOYSA-N -1 3 380.803 2.332 20 30 GEEDHM COc1cccc(O)c1C=N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826217219 609504867 /nfs/dbraw/zinc/50/48/67/609504867.db2.gz CGBBKLFKXXIGPN-YQODDJSKSA-N -1 3 392.419 2.195 20 30 GEEDHM Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826281332 609558104 /nfs/dbraw/zinc/55/81/04/609558104.db2.gz NBYMQBIXPFNHCX-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826281332 609558106 /nfs/dbraw/zinc/55/81/06/609558106.db2.gz NBYMQBIXPFNHCX-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H](Nc3ccc(F)cc3-c3nnn[n-]3)C2=O)cc1 ZINC000826385386 609577482 /nfs/dbraw/zinc/57/74/82/609577482.db2.gz JUGRHLQGZJTSBH-KRWDZBQOSA-N -1 3 377.383 2.485 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H](Nc3ccc(F)cc3-c3nn[n-]n3)C2=O)cc1 ZINC000826385386 609577483 /nfs/dbraw/zinc/57/74/83/609577483.db2.gz JUGRHLQGZJTSBH-KRWDZBQOSA-N -1 3 377.383 2.485 20 30 GEEDHM CCO[C@@H](CNc1nccc(C)c1C#N)CNc1nccc(C)c1-c1nnn[n-]1 ZINC000825577507 609586050 /nfs/dbraw/zinc/58/60/50/609586050.db2.gz XTDMKNDGAYBUKI-AWEZNQCLSA-N -1 3 393.455 2.074 20 30 GEEDHM CCO[C@@H](CNc1nccc(C)c1C#N)CNc1nccc(C)c1-c1nn[n-]n1 ZINC000825577507 609586052 /nfs/dbraw/zinc/58/60/52/609586052.db2.gz XTDMKNDGAYBUKI-AWEZNQCLSA-N -1 3 393.455 2.074 20 30 GEEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1(CF)CCOCC1 ZINC000451740017 650138183 /nfs/dbraw/zinc/13/81/83/650138183.db2.gz WFNQZZFOWQTTDG-UHFFFAOYSA-N -1 3 377.235 2.118 20 30 GEEDHM N#Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000502077390 650400500 /nfs/dbraw/zinc/40/05/00/650400500.db2.gz KUJOENNVBSOWHX-UHFFFAOYSA-N -1 3 375.884 2.043 20 30 GEEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000503700848 650421716 /nfs/dbraw/zinc/42/17/16/650421716.db2.gz GNFOLPQOZCXGTR-SECBINFHSA-N -1 3 382.251 2.060 20 30 GEEDHM CN(C)c1nc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc(=O)[n-]1 ZINC000463336076 650493733 /nfs/dbraw/zinc/49/37/33/650493733.db2.gz PQSWVNBGMBDWMN-LBPRGKRZSA-N -1 3 376.214 2.005 20 30 GEEDHM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533618490 650763835 /nfs/dbraw/zinc/76/38/35/650763835.db2.gz NNXQIUHBOSFTAF-JTQLQIEISA-N -1 3 379.825 2.223 20 30 GEEDHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C)C#N)c(Br)cc1Cl ZINC000175169635 644386404 /nfs/dbraw/zinc/38/64/04/644386404.db2.gz IEZGIFHYUMNIED-SSDOTTSWSA-N -1 3 395.662 2.327 20 30 GEEDHM C=CCCOCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000270141812 646087641 /nfs/dbraw/zinc/08/76/41/646087641.db2.gz BBQYPBHXLYNSAW-UHFFFAOYSA-N -1 3 390.527 2.099 20 30 GEEDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(c2snc(Cl)c2C#N)C1 ZINC000378557535 647884475 /nfs/dbraw/zinc/88/44/75/647884475.db2.gz ZVQJSBSLCQVWSG-QMMMGPOBSA-N -1 3 386.890 2.147 20 30 GEEDHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1S(=O)(=O)NCC#N ZINC000556117271 651236742 /nfs/dbraw/zinc/23/67/42/651236742.db2.gz MNLBIJSIYIUZLA-UHFFFAOYSA-N -1 3 379.825 2.408 20 30 GEEDHM C=CCN(CC(F)(F)F)C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000731896824 651637979 /nfs/dbraw/zinc/63/79/79/651637979.db2.gz KTULFNUZBPYEQT-SNVBAGLBSA-N -1 3 399.822 2.369 20 30 GEEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000736342478 651818756 /nfs/dbraw/zinc/81/87/56/651818756.db2.gz URMFVHQCWGDEHR-UHFFFAOYSA-N -1 3 393.690 2.389 20 30 GEEDHM C#CCSCC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000739987159 651913094 /nfs/dbraw/zinc/91/30/94/651913094.db2.gz FUYCRHNBCZRPMZ-UHFFFAOYSA-N -1 3 382.276 2.242 20 30 GEEDHM C[C@H](CC(=O)Nc1ncc(Cl)s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000748343437 652199360 /nfs/dbraw/zinc/19/93/60/652199360.db2.gz XWMFEVMFFRNXHG-MRVPVSSYSA-N -1 3 384.870 2.252 20 30 GEEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2cc(Br)ccc2F)nc1 ZINC000748808632 652217650 /nfs/dbraw/zinc/21/76/50/652217650.db2.gz KSVZZXXWOOVEDG-UHFFFAOYSA-N -1 3 399.245 2.245 20 30 GEEDHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000750996863 652318575 /nfs/dbraw/zinc/31/85/75/652318575.db2.gz AQFIDDOSRAKZLJ-JTQLQIEISA-N -1 3 379.825 2.433 20 30 GEEDHM CN1C(=O)N[C@]2(CCC[C@@H]2CN=Cc2cc(Br)ccc2[O-])C1=O ZINC000751890139 652370656 /nfs/dbraw/zinc/37/06/56/652370656.db2.gz KMZWIJZZRVWKQB-MCYVEZPUSA-N -1 3 380.242 2.294 20 30 GEEDHM N#Cc1ccc(Br)c(COC(=O)CNC(=O)c2ccc([O-])cc2)c1 ZINC000755554992 652468944 /nfs/dbraw/zinc/46/89/44/652468944.db2.gz OKQIHWKQKDAVGK-UHFFFAOYSA-N -1 3 389.205 2.500 20 30 GEEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)nn1 ZINC000632635558 652570160 /nfs/dbraw/zinc/57/01/60/652570160.db2.gz BIUHEPQYYKLYFG-UHFFFAOYSA-N -1 3 391.316 2.465 20 30 GEEDHM O=C(CC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)[N-]CC(F)(F)F ZINC000633729777 652608873 /nfs/dbraw/zinc/60/88/73/652608873.db2.gz SCZWIODXWQGNEX-UHFFFAOYSA-N -1 3 386.224 2.199 20 30 GEEDHM C[C@@H]1CC(=NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)NO1 ZINC000763260714 652748779 /nfs/dbraw/zinc/74/87/79/652748779.db2.gz SNHLTWMNRKDTQI-SSDOTTSWSA-N -1 3 392.264 2.286 20 30 GEEDHM Cc1ncc(CO)c(/C=N\C[C@H](O)COc2ccccc2Br)c1[O-] ZINC000764414541 652798505 /nfs/dbraw/zinc/79/85/05/652798505.db2.gz UBDYDCPUCVZXHI-YPPWBJDHSA-N -1 3 395.253 2.209 20 30 GEEDHM Cc1cc(OS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)ccc1C#N ZINC000766178572 652870095 /nfs/dbraw/zinc/87/00/95/652870095.db2.gz ICEYMOMEJGBYEX-UHFFFAOYSA-N -1 3 384.410 2.145 20 30 GEEDHM N#Cc1cccnc1NCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000771937417 653133128 /nfs/dbraw/zinc/13/31/28/653133128.db2.gz CAEGOHVIDSXHKG-UHFFFAOYSA-N -1 3 399.245 2.245 20 30 GEEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000773060350 653178174 /nfs/dbraw/zinc/17/81/74/653178174.db2.gz XZJJJXQIRAEIIE-STQMWFEESA-N -1 3 392.260 2.239 20 30 GEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cnc(Br)cn1 ZINC000773506196 653202383 /nfs/dbraw/zinc/20/23/83/653202383.db2.gz XWCMSOWONRVRJA-UHFFFAOYSA-N -1 3 390.241 2.077 20 30 GEEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000770376688 653210873 /nfs/dbraw/zinc/21/08/73/653210873.db2.gz LCBLNYDXUKIVPN-QMMMGPOBSA-N -1 3 378.219 2.065 20 30 GEEDHM 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2.195 20 30 GEEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000660143634 532673489 /nfs/dbraw/zinc/67/34/89/532673489.db2.gz YEGCVUWJAWMHEN-UHFFFAOYSA-N -1 3 386.539 2.494 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(Br)cc2)c(F)c1 ZINC000536607952 532694895 /nfs/dbraw/zinc/69/48/95/532694895.db2.gz CMVKCMABYFUOLU-CQSZACIVSA-N -1 3 399.241 2.472 20 30 GEEDHM C=CCSCCNC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000299321534 532711267 /nfs/dbraw/zinc/71/12/67/532711267.db2.gz MUYAZXJWLZBMRX-UHFFFAOYSA-N -1 3 389.568 2.120 20 30 GEEDHM CS(=O)(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000440605906 532717877 /nfs/dbraw/zinc/71/78/77/532717877.db2.gz PAUIXYJEVMFGTC-MRXNPFEDSA-N -1 3 398.893 2.276 20 30 GEEDHM N#Cc1ccc(NC2CC2)c(NC(=O)C[N-]S(=O)(=O)c2cccs2)c1 ZINC000538819399 532719763 /nfs/dbraw/zinc/71/97/63/532719763.db2.gz RUXIUDTYYQSPRH-UHFFFAOYSA-N -1 3 376.463 2.111 20 30 GEEDHM COc1ccc(C#N)cc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000504623011 532748191 /nfs/dbraw/zinc/74/81/91/532748191.db2.gz ZOUCVRVHUOVIGN-UHFFFAOYSA-N -1 3 385.854 2.199 20 30 GEEDHM CCOCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](C)C#N ZINC000540934606 532748278 /nfs/dbraw/zinc/74/82/78/532748278.db2.gz ZJGCRJBKQUTSSJ-LLVKDONJSA-N -1 3 391.287 2.302 20 30 GEEDHM CC#CCCNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000542672404 532776270 /nfs/dbraw/zinc/77/62/70/532776270.db2.gz MDVIKJUMVQNNHA-UHFFFAOYSA-N -1 3 380.185 2.276 20 30 GEEDHM N#CC1(CS(=O)(=O)[N-][C@H](CO)c2cccc(Br)c2)CCCC1 ZINC000544714703 532782801 /nfs/dbraw/zinc/78/28/01/532782801.db2.gz MZSZRJPVPTZAEU-CQSZACIVSA-N -1 3 387.299 2.486 20 30 GEEDHM CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)[C@@H]2C1 ZINC000514966293 532781461 /nfs/dbraw/zinc/78/14/61/532781461.db2.gz NTFDXVOAZCFFIT-SQWLQELKSA-N -1 3 381.885 2.137 20 30 GEEDHM C[C@H]1CSCCN(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000330182973 532815859 /nfs/dbraw/zinc/81/58/59/532815859.db2.gz PJJMYXMWOUYLID-LLVKDONJSA-N -1 3 387.502 2.497 20 30 GEEDHM COCCOCCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416384518 532874795 /nfs/dbraw/zinc/87/47/95/532874795.db2.gz OBCFYSOUJGIMOA-UHFFFAOYSA-N -1 3 391.287 2.042 20 30 GEEDHM C=CCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000276136340 532889832 /nfs/dbraw/zinc/88/98/32/532889832.db2.gz DMPHJACXBKFLEM-AWEZNQCLSA-N -1 3 386.901 2.445 20 30 GEEDHM COc1c(S(=O)(=O)[N-][C@H](C)CC#N)cc(Br)c(C)c1[N+](=O)[O-] ZINC000276844794 532902130 /nfs/dbraw/zinc/90/21/30/532902130.db2.gz CQIOOQRNCDFYFS-SSDOTTSWSA-N -1 3 392.231 2.255 20 30 GEEDHM Cc1ccc(CN2CC[C@@H]([N-]S(=O)(=O)c3ccc(C#N)s3)C2=O)cc1 ZINC000367196154 532923537 /nfs/dbraw/zinc/92/35/37/532923537.db2.gz QWOGVOCYWQEQHB-OAHLLOKOSA-N -1 3 375.475 2.008 20 30 GEEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736308586 598868629 /nfs/dbraw/zinc/86/86/29/598868629.db2.gz FDSARGUIMKXTNT-QGZVFWFLSA-N -1 3 391.435 2.276 20 30 GEEDHM C=CCOc1ccccc1CN[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000735436887 598884044 /nfs/dbraw/zinc/88/40/44/598884044.db2.gz SJXJNEQGEAJQBR-GOSISDBHSA-N -1 3 379.420 2.435 20 30 GEEDHM C=CCOc1ccccc1CN[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000735436887 598884045 /nfs/dbraw/zinc/88/40/45/598884045.db2.gz SJXJNEQGEAJQBR-GOSISDBHSA-N -1 3 379.420 2.435 20 30 GEEDHM COC(=O)[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736896759 598895734 /nfs/dbraw/zinc/89/57/34/598895734.db2.gz JUBCGWIDQULHFE-RXQFDZFGSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736896759 598895735 /nfs/dbraw/zinc/89/57/35/598895735.db2.gz JUBCGWIDQULHFE-RXQFDZFGSA-N -1 3 389.371 2.209 20 30 GEEDHM CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735914002 598915173 /nfs/dbraw/zinc/91/51/73/598915173.db2.gz PCRDJDGGYHBOJM-UHFFFAOYSA-N -1 3 396.432 2.173 20 30 GEEDHM CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735914002 598915174 /nfs/dbraw/zinc/91/51/74/598915174.db2.gz PCRDJDGGYHBOJM-UHFFFAOYSA-N -1 3 396.432 2.173 20 30 GEEDHM CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736498044 598922680 /nfs/dbraw/zinc/92/26/80/598922680.db2.gz OCOQPYVOPOWBKM-UHFFFAOYSA-N -1 3 396.432 2.174 20 30 GEEDHM CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736498044 598922682 /nfs/dbraw/zinc/92/26/82/598922682.db2.gz OCOQPYVOPOWBKM-UHFFFAOYSA-N -1 3 396.432 2.174 20 30 GEEDHM C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736101357 598928181 /nfs/dbraw/zinc/92/81/81/598928181.db2.gz NZHJEWNHLWUGRJ-LBPRGKRZSA-N -1 3 381.440 2.152 20 30 GEEDHM C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736101357 598928183 /nfs/dbraw/zinc/92/81/83/598928183.db2.gz NZHJEWNHLWUGRJ-LBPRGKRZSA-N -1 3 381.440 2.152 20 30 GEEDHM C=CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccncc1 ZINC000735409716 599033913 /nfs/dbraw/zinc/03/39/13/599033913.db2.gz JHUYCZCVKADOEQ-HNNXBMFYSA-N -1 3 397.826 2.287 20 30 GEEDHM C=CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccncc1 ZINC000735409716 599033915 /nfs/dbraw/zinc/03/39/15/599033915.db2.gz JHUYCZCVKADOEQ-HNNXBMFYSA-N -1 3 397.826 2.287 20 30 GEEDHM CCCCCCCCOCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000736446428 599074979 /nfs/dbraw/zinc/07/49/79/599074979.db2.gz BDLBNGIJGIIDOF-UHFFFAOYSA-N -1 3 379.490 2.485 20 30 GEEDHM CCCCCCCCOCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000736446428 599074982 /nfs/dbraw/zinc/07/49/82/599074982.db2.gz BDLBNGIJGIIDOF-UHFFFAOYSA-N -1 3 379.490 2.485 20 30 GEEDHM COc1ccc(C=NNC(=S)NCc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737081252 599125380 /nfs/dbraw/zinc/12/53/80/599125380.db2.gz MBGSCGNOWJYJNI-UHFFFAOYSA-N -1 3 385.428 2.013 20 30 GEEDHM COc1ccc(C=NNC(=S)NCc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737081252 599125383 /nfs/dbraw/zinc/12/53/83/599125383.db2.gz MBGSCGNOWJYJNI-UHFFFAOYSA-N -1 3 385.428 2.013 20 30 GEEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000737471095 599162320 /nfs/dbraw/zinc/16/23/20/599162320.db2.gz NXKNIQZBGZBKDV-UHFFFAOYSA-N -1 3 391.420 2.488 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ccn(-c3ccc(F)cc3)n2)nc1N ZINC000737704139 599163320 /nfs/dbraw/zinc/16/33/20/599163320.db2.gz HFDISEVZMCZTFO-UHFFFAOYSA-N -1 3 393.411 2.333 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ccn(-c3ccc(F)cc3)n2)nc1N ZINC000737704139 599163321 /nfs/dbraw/zinc/16/33/21/599163321.db2.gz HFDISEVZMCZTFO-UHFFFAOYSA-N -1 3 393.411 2.333 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)cc1-c1nnn[n-]1 ZINC000737716779 599195931 /nfs/dbraw/zinc/19/59/31/599195931.db2.gz UULGLDZGWZLCTA-HNNXBMFYSA-N -1 3 395.329 2.148 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)cc1-c1nn[n-]n1 ZINC000737716779 599195933 /nfs/dbraw/zinc/19/59/33/599195933.db2.gz UULGLDZGWZLCTA-HNNXBMFYSA-N -1 3 395.329 2.148 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cc(N3CCCC3=O)ccc2F)cc1-c1nnn[n-]1 ZINC000737718142 599196003 /nfs/dbraw/zinc/19/60/03/599196003.db2.gz FRXZYSJINGILJA-UHFFFAOYSA-N -1 3 391.366 2.257 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cc(N3CCCC3=O)ccc2F)cc1-c1nn[n-]n1 ZINC000737718142 599196005 /nfs/dbraw/zinc/19/60/05/599196005.db2.gz FRXZYSJINGILJA-UHFFFAOYSA-N -1 3 391.366 2.257 20 30 GEEDHM COc1ccc(COCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737098226 599199880 /nfs/dbraw/zinc/19/98/80/599199880.db2.gz RKQWVJAUSWRVIY-UHFFFAOYSA-N -1 3 378.392 2.292 20 30 GEEDHM COc1ccc(COCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737098226 599199881 /nfs/dbraw/zinc/19/98/81/599199881.db2.gz RKQWVJAUSWRVIY-UHFFFAOYSA-N -1 3 378.392 2.292 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)ccc1-c1nnn[n-]1 ZINC000737709505 599200715 /nfs/dbraw/zinc/20/07/15/599200715.db2.gz OUPNBGXOYUBCEN-UHFFFAOYSA-N -1 3 388.366 2.244 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)ccc1-c1nn[n-]n1 ZINC000737709505 599200717 /nfs/dbraw/zinc/20/07/17/599200717.db2.gz OUPNBGXOYUBCEN-UHFFFAOYSA-N -1 3 388.366 2.244 20 30 GEEDHM COCCN(C(=O)c1ncc(C#N)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688954 607263817 /nfs/dbraw/zinc/26/38/17/607263817.db2.gz FELUZCYHEJGNHV-UHFFFAOYSA-N -1 3 383.799 2.080 20 30 GEEDHM COCCN(C(=O)c1ncc(C#N)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688954 607263818 /nfs/dbraw/zinc/26/38/18/607263818.db2.gz FELUZCYHEJGNHV-UHFFFAOYSA-N -1 3 383.799 2.080 20 30 GEEDHM COc1cccc([C@H](C#N)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1OC ZINC000737122844 598240469 /nfs/dbraw/zinc/24/04/69/598240469.db2.gz WQZZXIRICSOOHM-SNGWPZLWSA-N -1 3 390.403 2.278 20 30 GEEDHM COc1cccc([C@H](C#N)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1OC ZINC000737122844 598240470 /nfs/dbraw/zinc/24/04/70/598240470.db2.gz WQZZXIRICSOOHM-SNGWPZLWSA-N -1 3 390.403 2.278 20 30 GEEDHM N#Cc1ccc(NC(=S)NCCNc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC000737719094 598320809 /nfs/dbraw/zinc/32/08/09/598320809.db2.gz OUGVSLRDUDNZAT-UHFFFAOYSA-N -1 3 399.871 2.185 20 30 GEEDHM N#Cc1ccc(NC(=S)NCCNc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC000737719094 598320810 /nfs/dbraw/zinc/32/08/10/598320810.db2.gz OUGVSLRDUDNZAT-UHFFFAOYSA-N -1 3 399.871 2.185 20 30 GEEDHM C=CCCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1Cc1ccco1 ZINC000735408864 598358884 /nfs/dbraw/zinc/35/88/84/598358884.db2.gz SXIFPAGKXJMFCP-UHFFFAOYSA-N -1 3 398.423 2.374 20 30 GEEDHM C=CCCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1Cc1ccco1 ZINC000735408864 598358886 /nfs/dbraw/zinc/35/88/86/598358886.db2.gz SXIFPAGKXJMFCP-UHFFFAOYSA-N -1 3 398.423 2.374 20 30 GEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000737242538 598372385 /nfs/dbraw/zinc/37/23/85/598372385.db2.gz WSHDOZWAUHPSCJ-CQSZACIVSA-N -1 3 382.449 2.282 20 30 GEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000737242538 598372387 /nfs/dbraw/zinc/37/23/87/598372387.db2.gz WSHDOZWAUHPSCJ-CQSZACIVSA-N -1 3 382.449 2.282 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])ccc1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737708740 598459292 /nfs/dbraw/zinc/45/92/92/598459292.db2.gz GIZZTOQBFCEILX-UHFFFAOYSA-N -1 3 391.395 2.122 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])ccc1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737708740 598459293 /nfs/dbraw/zinc/45/92/93/598459293.db2.gz GIZZTOQBFCEILX-UHFFFAOYSA-N -1 3 391.395 2.122 20 30 GEEDHM COc1ccc(OC)c(C=NO[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737110074 598471566 /nfs/dbraw/zinc/47/15/66/598471566.db2.gz WZNXNWWVTVWNAL-GFCCVEGCSA-N -1 3 396.407 2.262 20 30 GEEDHM COc1ccc(OC)c(C=NO[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737110074 598471567 /nfs/dbraw/zinc/47/15/67/598471567.db2.gz WZNXNWWVTVWNAL-GFCCVEGCSA-N -1 3 396.407 2.262 20 30 GEEDHM COc1ccc(COCCSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC000737097862 598492496 /nfs/dbraw/zinc/49/24/96/598492496.db2.gz OMZMXMXTXKRHOU-UHFFFAOYSA-N -1 3 383.437 2.033 20 30 GEEDHM COc1ccc(COCCSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1 ZINC000737097862 598492498 /nfs/dbraw/zinc/49/24/98/598492498.db2.gz OMZMXMXTXKRHOU-UHFFFAOYSA-N -1 3 383.437 2.033 20 30 GEEDHM N#CCOc1ccc(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737696009 598496403 /nfs/dbraw/zinc/49/64/03/598496403.db2.gz NXBJODZJNAMQKD-UHFFFAOYSA-N -1 3 394.460 2.319 20 30 GEEDHM N#CCOc1ccc(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737696009 598496404 /nfs/dbraw/zinc/49/64/04/598496404.db2.gz NXBJODZJNAMQKD-UHFFFAOYSA-N -1 3 394.460 2.319 20 30 GEEDHM COc1ccc(C)cc1C(=O)CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000737076887 598569088 /nfs/dbraw/zinc/56/90/88/598569088.db2.gz SOBIYVGMIZUKRF-UHFFFAOYSA-N -1 3 381.421 2.008 20 30 GEEDHM COc1ccc(C)cc1C(=O)CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000737076887 598569091 /nfs/dbraw/zinc/56/90/91/598569091.db2.gz SOBIYVGMIZUKRF-UHFFFAOYSA-N -1 3 381.421 2.008 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ccn(-c3ccccc3)n2)nc1N ZINC000737705104 598569818 /nfs/dbraw/zinc/56/98/18/598569818.db2.gz MLQVAPHJILYEPV-UHFFFAOYSA-N -1 3 375.421 2.194 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ccn(-c3ccccc3)n2)nc1N ZINC000737705104 598569820 /nfs/dbraw/zinc/56/98/20/598569820.db2.gz MLQVAPHJILYEPV-UHFFFAOYSA-N -1 3 375.421 2.194 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc(N3CCCC3)nc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202187 598639173 /nfs/dbraw/zinc/63/91/73/598639173.db2.gz LCJVCKIQEPMPJJ-SREVYHEPSA-N -1 3 390.451 2.209 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc(N3CCCC3)nc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202187 598639175 /nfs/dbraw/zinc/63/91/75/598639175.db2.gz LCJVCKIQEPMPJJ-SREVYHEPSA-N -1 3 390.451 2.209 20 30 GEEDHM N#CCCN(Cc1cccnc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737694099 598667974 /nfs/dbraw/zinc/66/79/74/598667974.db2.gz LUDIVMOLLWXCGP-UHFFFAOYSA-N -1 3 379.449 2.296 20 30 GEEDHM N#CCCN(Cc1cccnc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737694099 598667976 /nfs/dbraw/zinc/66/79/76/598667976.db2.gz LUDIVMOLLWXCGP-UHFFFAOYSA-N -1 3 379.449 2.296 20 30 GEEDHM N#Cc1cc(F)ccc1CN1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000737704150 598677542 /nfs/dbraw/zinc/67/75/42/598677542.db2.gz HHDVNEGNJHDHSM-UHFFFAOYSA-N -1 3 395.417 2.334 20 30 GEEDHM N#Cc1cc(F)ccc1CN1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000737704150 598677544 /nfs/dbraw/zinc/67/75/44/598677544.db2.gz HHDVNEGNJHDHSM-UHFFFAOYSA-N -1 3 395.417 2.334 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000737722919 598689075 /nfs/dbraw/zinc/68/90/75/598689075.db2.gz ZHIIGAHGODNCHZ-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735503497 598691571 /nfs/dbraw/zinc/69/15/71/598691571.db2.gz IDQZKRSTPKJZPA-HXUWFJFHSA-N -1 3 376.420 2.277 20 30 GEEDHM Cc1cc(F)ccc1N(CC(=O)NCCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737265027 598703770 /nfs/dbraw/zinc/70/37/70/598703770.db2.gz WLKZAEMBXATYTR-UHFFFAOYSA-N -1 3 393.426 2.351 20 30 GEEDHM Cc1cc(F)ccc1N(CC(=O)NCCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737265027 598703772 /nfs/dbraw/zinc/70/37/72/598703772.db2.gz WLKZAEMBXATYTR-UHFFFAOYSA-N -1 3 393.426 2.351 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1ccc(F)c(C)c1 ZINC000735419322 598726671 /nfs/dbraw/zinc/72/66/71/598726671.db2.gz RRLNSGDXSJCWKD-UHFFFAOYSA-N -1 3 394.410 2.468 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1ccc(F)c(C)c1 ZINC000735419322 598726672 /nfs/dbraw/zinc/72/66/72/598726672.db2.gz RRLNSGDXSJCWKD-UHFFFAOYSA-N -1 3 394.410 2.468 20 30 GEEDHM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000735415924 598761196 /nfs/dbraw/zinc/76/11/96/598761196.db2.gz ATYBNCKMRODRNZ-UHFFFAOYSA-N -1 3 398.467 2.409 20 30 GEEDHM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000735415924 598761197 /nfs/dbraw/zinc/76/11/97/598761197.db2.gz ATYBNCKMRODRNZ-UHFFFAOYSA-N -1 3 398.467 2.409 20 30 GEEDHM C[C@H](c1ccc(C#N)cc1)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000736198141 599309610 /nfs/dbraw/zinc/30/96/10/599309610.db2.gz GNVVBFNIOXRRGI-CYBMUJFWSA-N -1 3 390.451 2.487 20 30 GEEDHM C[C@H](c1ccc(C#N)cc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736198141 599309611 /nfs/dbraw/zinc/30/96/11/599309611.db2.gz GNVVBFNIOXRRGI-CYBMUJFWSA-N -1 3 390.451 2.487 20 30 GEEDHM Cc1ccc(S(=O)(=O)NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000822266737 599332091 /nfs/dbraw/zinc/33/20/91/599332091.db2.gz GFCUHMVKBABBSF-UHFFFAOYSA-N -1 3 382.449 2.194 20 30 GEEDHM Cc1ccc(S(=O)(=O)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000822266737 599332094 /nfs/dbraw/zinc/33/20/94/599332094.db2.gz GFCUHMVKBABBSF-UHFFFAOYSA-N -1 3 382.449 2.194 20 30 GEEDHM Cn1c(=O)c2ccccc2nc1NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000822599883 599335708 /nfs/dbraw/zinc/33/57/08/599335708.db2.gz HUIQIUOEHVQVOF-UHFFFAOYSA-N -1 3 386.419 2.266 20 30 GEEDHM Cn1c(=O)c2ccccc2nc1NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000822599883 599335711 /nfs/dbraw/zinc/33/57/11/599335711.db2.gz HUIQIUOEHVQVOF-UHFFFAOYSA-N -1 3 386.419 2.266 20 30 GEEDHM COc1ccccc1C=NOCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821889976 599382619 /nfs/dbraw/zinc/38/26/19/599382619.db2.gz IRCMCWGFEKMEGT-UHFFFAOYSA-N -1 3 377.364 2.476 20 30 GEEDHM COc1ccccc1C=NOCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821889976 599382621 /nfs/dbraw/zinc/38/26/21/599382621.db2.gz IRCMCWGFEKMEGT-UHFFFAOYSA-N -1 3 377.364 2.476 20 30 GEEDHM Cc1cc(C(N)=NOCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1F ZINC000822191832 599384521 /nfs/dbraw/zinc/38/45/21/599384521.db2.gz RXYWZQBVCAWHDU-UHFFFAOYSA-N -1 3 394.370 2.201 20 30 GEEDHM Cc1cc(C(N)=NOCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1F ZINC000822191832 599384524 /nfs/dbraw/zinc/38/45/24/599384524.db2.gz RXYWZQBVCAWHDU-UHFFFAOYSA-N -1 3 394.370 2.201 20 30 GEEDHM N#Cc1ccc(N2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)nc1 ZINC000737717486 599414582 /nfs/dbraw/zinc/41/45/82/599414582.db2.gz DLOWSZOGCUDYNF-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccc(N2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)nc1 ZINC000737717486 599414585 /nfs/dbraw/zinc/41/45/85/599414585.db2.gz DLOWSZOGCUDYNF-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(C#N)c2n1CCC2 ZINC000737201710 599463174 /nfs/dbraw/zinc/46/31/74/599463174.db2.gz HTXLLCAJYCQYEK-WAYWQWQTSA-N -1 3 384.403 2.338 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(C#N)c2n1CCC2 ZINC000737201710 599463176 /nfs/dbraw/zinc/46/31/76/599463176.db2.gz HTXLLCAJYCQYEK-WAYWQWQTSA-N -1 3 384.403 2.338 20 30 GEEDHM C=CCCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000735412418 599479977 /nfs/dbraw/zinc/47/99/77/599479977.db2.gz ABSISOYZJGZGAZ-UHFFFAOYSA-N -1 3 375.376 2.472 20 30 GEEDHM C=CCCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000735412418 599479980 /nfs/dbraw/zinc/47/99/80/599479980.db2.gz ABSISOYZJGZGAZ-UHFFFAOYSA-N -1 3 375.376 2.472 20 30 GEEDHM C#CCN(CC#CC)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000819698208 599640662 /nfs/dbraw/zinc/64/06/62/599640662.db2.gz URVBRHXHKFRCTF-UHFFFAOYSA-N -1 3 382.493 2.094 20 30 GEEDHM C#CCN(CC#CC)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000819698208 599640661 /nfs/dbraw/zinc/64/06/61/599640661.db2.gz URVBRHXHKFRCTF-UHFFFAOYSA-N -1 3 382.493 2.094 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1c(C)nn(C)c1C ZINC000819745444 599679535 /nfs/dbraw/zinc/67/95/35/599679535.db2.gz DENVLGVRXZOONE-UHFFFAOYSA-N -1 3 380.456 2.115 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1c(C)nn(C)c1C ZINC000819745444 599679536 /nfs/dbraw/zinc/67/95/36/599679536.db2.gz DENVLGVRXZOONE-UHFFFAOYSA-N -1 3 380.456 2.115 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC000819743626 599698141 /nfs/dbraw/zinc/69/81/41/599698141.db2.gz MSTWKIWITAEOFH-IRXDYDNUSA-N -1 3 383.452 2.361 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC000819743626 599698142 /nfs/dbraw/zinc/69/81/42/599698142.db2.gz MSTWKIWITAEOFH-IRXDYDNUSA-N -1 3 383.452 2.361 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000826277095 607398161 /nfs/dbraw/zinc/39/81/61/607398161.db2.gz JFBQFFCTXWCNQS-INIZCTEOSA-N -1 3 389.419 2.275 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000826277095 607398162 /nfs/dbraw/zinc/39/81/62/607398162.db2.gz JFBQFFCTXWCNQS-INIZCTEOSA-N -1 3 389.419 2.275 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000821737002 607409902 /nfs/dbraw/zinc/40/99/02/607409902.db2.gz QHBAQWSNENQDJE-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000821737002 607409903 /nfs/dbraw/zinc/40/99/03/607409903.db2.gz QHBAQWSNENQDJE-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)CC1 ZINC000825642603 600665285 /nfs/dbraw/zinc/66/52/85/600665285.db2.gz YYROTCWQRITRSK-UHFFFAOYSA-N -1 3 375.425 2.333 20 30 GEEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000829881271 601236133 /nfs/dbraw/zinc/23/61/33/601236133.db2.gz DFTDRYSKNLVGAT-IIAWOOMASA-N -1 3 386.404 2.402 20 30 GEEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000827718101 601301873 /nfs/dbraw/zinc/30/18/73/601301873.db2.gz OSZKMQRJUKFJCK-SCLBCKFNSA-N -1 3 387.461 2.285 20 30 GEEDHM O=C([O-])c1ccc(C=NNC(=S)NC2CCN(Cc3ccccc3)CC2)[nH]1 ZINC000833312233 601336410 /nfs/dbraw/zinc/33/64/10/601336410.db2.gz MXKGZSAJVCUGEK-UHFFFAOYSA-N -1 3 385.493 2.176 20 30 GEEDHM COC[C@](C)(CC(=O)[O-])NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000831573468 601489326 /nfs/dbraw/zinc/48/93/26/601489326.db2.gz PDIRKCHEIZBYFZ-FQEVSTJZSA-N -1 3 390.484 2.500 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccc(C)c1C#N ZINC000823914940 607546725 /nfs/dbraw/zinc/54/67/25/607546725.db2.gz PKRAURWAVHFDOU-UHFFFAOYSA-N -1 3 394.460 2.424 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccc(C)c1C#N ZINC000823914940 607546727 /nfs/dbraw/zinc/54/67/27/607546727.db2.gz PKRAURWAVHFDOU-UHFFFAOYSA-N -1 3 394.460 2.424 20 30 GEEDHM CN(C[C@@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1)C(=O)[O-] ZINC000739666164 602529550 /nfs/dbraw/zinc/52/95/50/602529550.db2.gz SNSVCCYIWPGJIJ-DZGCQCFKSA-N -1 3 379.420 2.155 20 30 GEEDHM COc1ccc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826195976 607592255 /nfs/dbraw/zinc/59/22/55/607592255.db2.gz MMPAGKJUPXOVRF-UHFFFAOYSA-N -1 3 392.419 2.221 20 30 GEEDHM COc1ccc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826195976 607592257 /nfs/dbraw/zinc/59/22/57/607592257.db2.gz MMPAGKJUPXOVRF-UHFFFAOYSA-N -1 3 392.419 2.221 20 30 GEEDHM CC(C)[C@@](C)(CNC(=O)[O-])NCc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000738770699 603136773 /nfs/dbraw/zinc/13/67/73/603136773.db2.gz JBRGRODWXGCPLO-JLTOFOAXSA-N -1 3 381.436 2.496 20 30 GEEDHM COc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1C#N ZINC000826200265 607618464 /nfs/dbraw/zinc/61/84/64/607618464.db2.gz HMOKZKRMYVPUML-UHFFFAOYSA-N -1 3 379.380 2.077 20 30 GEEDHM COc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1C#N ZINC000826200265 607618467 /nfs/dbraw/zinc/61/84/67/607618467.db2.gz HMOKZKRMYVPUML-UHFFFAOYSA-N -1 3 379.380 2.077 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826256979 607678864 /nfs/dbraw/zinc/67/88/64/607678864.db2.gz IXAAISZMECUUKW-UHFFFAOYSA-N -1 3 391.410 2.148 20 30 GEEDHM COc1cccc([C@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1OC ZINC000826214272 607684474 /nfs/dbraw/zinc/68/44/74/607684474.db2.gz GPDJKDCFMIWWDP-HNNXBMFYSA-N -1 3 378.392 2.187 20 30 GEEDHM COc1cccc([C@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1OC ZINC000826214272 607684475 /nfs/dbraw/zinc/68/44/75/607684475.db2.gz GPDJKDCFMIWWDP-HNNXBMFYSA-N -1 3 378.392 2.187 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000826245759 607690755 /nfs/dbraw/zinc/69/07/55/607690755.db2.gz HEVRIRZUORFEJW-SFHVURJKSA-N -1 3 387.447 2.025 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000826245759 607690757 /nfs/dbraw/zinc/69/07/57/607690757.db2.gz HEVRIRZUORFEJW-SFHVURJKSA-N -1 3 387.447 2.025 20 30 GEEDHM CC(C)OC[C@@H](C(=O)[O-])N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000827015587 604515152 /nfs/dbraw/zinc/51/51/52/604515152.db2.gz FEILYNUGISWJME-OCCSQVGLSA-N -1 3 375.450 2.283 20 30 GEEDHM N#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)[nH]1 ZINC000826385034 607700870 /nfs/dbraw/zinc/70/08/70/607700870.db2.gz UQQRKUDNXNWQGC-UHFFFAOYSA-N -1 3 376.405 2.366 20 30 GEEDHM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000833829453 605895202 /nfs/dbraw/zinc/89/52/02/605895202.db2.gz GCIJHMPKGOLOIY-VNHYZAJKSA-N -1 3 379.420 2.202 20 30 GEEDHM N#Cc1cccc(CC(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822837869 606141390 /nfs/dbraw/zinc/14/13/90/606141390.db2.gz WIBHDRRYBZRBBA-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM N#Cc1cccc(CC(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822837869 606141391 /nfs/dbraw/zinc/14/13/91/606141391.db2.gz WIBHDRRYBZRBBA-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM C[C@@]1(CCc2ccccc2)NC(=O)N(N=Cc2cc(-c3nnn[n-]3)cs2)C1=O ZINC000820612364 606203734 /nfs/dbraw/zinc/20/37/34/606203734.db2.gz CRHUJPOYOVABFD-SFHVURJKSA-N -1 3 395.448 2.205 20 30 GEEDHM C[C@@]1(CCc2ccccc2)NC(=O)N(N=Cc2cc(-c3nn[n-]n3)cs2)C1=O ZINC000820612364 606203737 /nfs/dbraw/zinc/20/37/37/606203737.db2.gz CRHUJPOYOVABFD-SFHVURJKSA-N -1 3 395.448 2.205 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)C1Cc2ccccc2C1 ZINC000819745774 606233719 /nfs/dbraw/zinc/23/37/19/606233719.db2.gz RIVVVOXMWTXWLE-UHFFFAOYSA-N -1 3 395.488 2.352 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C1Cc2ccccc2C1 ZINC000819745774 606233721 /nfs/dbraw/zinc/23/37/21/606233721.db2.gz RIVVVOXMWTXWLE-UHFFFAOYSA-N -1 3 395.488 2.352 20 30 GEEDHM C=CCCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819739979 606341488 /nfs/dbraw/zinc/34/14/88/606341488.db2.gz MHUJTDCZYZUAMV-UHFFFAOYSA-N -1 3 375.376 2.472 20 30 GEEDHM C=CCCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819739979 606341490 /nfs/dbraw/zinc/34/14/90/606341490.db2.gz MHUJTDCZYZUAMV-UHFFFAOYSA-N -1 3 375.376 2.472 20 30 GEEDHM N#Cc1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)s1 ZINC000822825943 606423989 /nfs/dbraw/zinc/42/39/89/606423989.db2.gz RCPGBDJKJUIFSK-UHFFFAOYSA-N -1 3 381.465 2.373 20 30 GEEDHM N#Cc1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)s1 ZINC000822825943 606423991 /nfs/dbraw/zinc/42/39/91/606423991.db2.gz RCPGBDJKJUIFSK-UHFFFAOYSA-N -1 3 381.465 2.373 20 30 GEEDHM N#Cc1ccc(NC(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000822829920 606567802 /nfs/dbraw/zinc/56/78/02/606567802.db2.gz PCGWJUMPAKZNIA-UHFFFAOYSA-N -1 3 388.796 2.249 20 30 GEEDHM N#Cc1ccc(NC(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000822829920 606567803 /nfs/dbraw/zinc/56/78/03/606567803.db2.gz PCGWJUMPAKZNIA-UHFFFAOYSA-N -1 3 388.796 2.249 20 30 GEEDHM N#Cc1cccc(NC(=O)C2(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CCC2)c1 ZINC000822837797 606775731 /nfs/dbraw/zinc/77/57/31/606775731.db2.gz SZLZZLBGVBXPAA-UHFFFAOYSA-N -1 3 387.403 2.486 20 30 GEEDHM N#Cc1cccc(NC(=O)C2(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CCC2)c1 ZINC000822837797 606775732 /nfs/dbraw/zinc/77/57/32/606775732.db2.gz SZLZZLBGVBXPAA-UHFFFAOYSA-N -1 3 387.403 2.486 20 30 GEEDHM C=C(C)COCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000819723079 606804027 /nfs/dbraw/zinc/80/40/27/606804027.db2.gz XNJYIBASMUHCQN-UHFFFAOYSA-N -1 3 380.408 2.377 20 30 GEEDHM C=C(C)COCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000819723079 606804029 /nfs/dbraw/zinc/80/40/29/606804029.db2.gz XNJYIBASMUHCQN-UHFFFAOYSA-N -1 3 380.408 2.377 20 30 GEEDHM CCN(CC)c1ccnc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)n1 ZINC000821197921 606820159 /nfs/dbraw/zinc/82/01/59/606820159.db2.gz OQFCGVCCVVFUDX-UHFFFAOYSA-N -1 3 376.428 2.430 20 30 GEEDHM CCN(CC)c1ccnc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)n1 ZINC000821197921 606820162 /nfs/dbraw/zinc/82/01/62/606820162.db2.gz OQFCGVCCVVFUDX-UHFFFAOYSA-N -1 3 376.428 2.430 20 30 GEEDHM N#Cc1cccc(OCCCSc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1 ZINC000822837600 606837957 /nfs/dbraw/zinc/83/79/57/606837957.db2.gz OXODJLNTRQBDRQ-UHFFFAOYSA-N -1 3 378.421 2.148 20 30 GEEDHM N#Cc1cccc(OCCCSc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1 ZINC000822837600 606837958 /nfs/dbraw/zinc/83/79/58/606837958.db2.gz OXODJLNTRQBDRQ-UHFFFAOYSA-N -1 3 378.421 2.148 20 30 GEEDHM COC(=O)C[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821657066 606952071 /nfs/dbraw/zinc/95/20/71/606952071.db2.gz GSXGOGOKHGPUCN-ZWNOBZJWSA-N -1 3 396.432 2.366 20 30 GEEDHM COC(=O)C[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821657066 606952074 /nfs/dbraw/zinc/95/20/74/606952074.db2.gz GSXGOGOKHGPUCN-ZWNOBZJWSA-N -1 3 396.432 2.366 20 30 GEEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000819772701 606988033 /nfs/dbraw/zinc/98/80/33/606988033.db2.gz JOIKUFKBIFLYEV-UHFFFAOYSA-N -1 3 391.844 2.004 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819709342 607034880 /nfs/dbraw/zinc/03/48/80/607034880.db2.gz DNOWJSNRFYCHOA-UHFFFAOYSA-N -1 3 391.431 2.353 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819709342 607034881 /nfs/dbraw/zinc/03/48/81/607034881.db2.gz DNOWJSNRFYCHOA-UHFFFAOYSA-N -1 3 391.431 2.353 20 30 GEEDHM C=CCn1c(Sc2ncc(-c3nnn[n-]3)cc2Cl)nnc1-c1cnccn1 ZINC000819763754 607036295 /nfs/dbraw/zinc/03/62/95/607036295.db2.gz CJQQDGDUUCBBRT-UHFFFAOYSA-N -1 3 398.843 2.301 20 30 GEEDHM C=CCn1c(Sc2ncc(-c3nn[n-]n3)cc2Cl)nnc1-c1cnccn1 ZINC000819763754 607036297 /nfs/dbraw/zinc/03/62/97/607036297.db2.gz CJQQDGDUUCBBRT-UHFFFAOYSA-N -1 3 398.843 2.301 20 30 GEEDHM Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822225268 607051358 /nfs/dbraw/zinc/05/13/58/607051358.db2.gz VTRKCANWLRXLSM-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822225268 607051359 /nfs/dbraw/zinc/05/13/59/607051359.db2.gz VTRKCANWLRXLSM-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820315427 607179818 /nfs/dbraw/zinc/17/98/18/607179818.db2.gz NRWPOTSBHWEUAS-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820315427 607179819 /nfs/dbraw/zinc/17/98/19/607179819.db2.gz NRWPOTSBHWEUAS-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3sccc3-c3nnn[n-]3)n2)c1 ZINC000822837413 607188545 /nfs/dbraw/zinc/18/85/45/607188545.db2.gz NPWSWVGBMYJKEO-UHFFFAOYSA-N -1 3 376.405 2.120 20 30 GEEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3sccc3-c3nn[n-]n3)n2)c1 ZINC000822837413 607188546 /nfs/dbraw/zinc/18/85/46/607188546.db2.gz NPWSWVGBMYJKEO-UHFFFAOYSA-N -1 3 376.405 2.120 20 30 GEEDHM CC(=NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000819782571 607251583 /nfs/dbraw/zinc/25/15/83/607251583.db2.gz NZFFPBSATRQRAT-UHFFFAOYSA-N -1 3 392.427 2.303 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000826175577 607824486 /nfs/dbraw/zinc/82/44/86/607824486.db2.gz JOFMALDTGAFCLF-ZDUSSCGKSA-N -1 3 384.440 2.185 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000826175577 607824487 /nfs/dbraw/zinc/82/44/87/607824487.db2.gz JOFMALDTGAFCLF-ZDUSSCGKSA-N -1 3 384.440 2.185 20 30 GEEDHM C=CCc1ccc(OC[C@H](O)COc2ccccc2-c2nnn[n-]2)c(OC)c1 ZINC000823937172 607869993 /nfs/dbraw/zinc/86/99/93/607869993.db2.gz KYERCJYIMRVXRM-OAHLLOKOSA-N -1 3 382.420 2.423 20 30 GEEDHM C=CCc1ccc(OC[C@H](O)COc2ccccc2-c2nn[n-]n2)c(OC)c1 ZINC000823937172 607869994 /nfs/dbraw/zinc/86/99/94/607869994.db2.gz KYERCJYIMRVXRM-OAHLLOKOSA-N -1 3 382.420 2.423 20 30 GEEDHM C=C(C)[C@H](CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)OCC ZINC000823874730 607920356 /nfs/dbraw/zinc/92/03/56/607920356.db2.gz YIHZOKKVAZXZOU-AWEZNQCLSA-N -1 3 393.831 2.373 20 30 GEEDHM C=C(C)[C@H](CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)OCC ZINC000823874730 607920357 /nfs/dbraw/zinc/92/03/57/607920357.db2.gz YIHZOKKVAZXZOU-AWEZNQCLSA-N -1 3 393.831 2.373 20 30 GEEDHM C=C(C)[C@@H](CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)OCC ZINC000823874732 607920365 /nfs/dbraw/zinc/92/03/65/607920365.db2.gz YIHZOKKVAZXZOU-CQSZACIVSA-N -1 3 393.831 2.373 20 30 GEEDHM C=C(C)[C@@H](CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)OCC ZINC000823874732 607920366 /nfs/dbraw/zinc/92/03/66/607920366.db2.gz YIHZOKKVAZXZOU-CQSZACIVSA-N -1 3 393.831 2.373 20 30 GEEDHM C#CC[C@@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823837859 607939437 /nfs/dbraw/zinc/93/94/37/607939437.db2.gz HUOOXKBBTYMRLD-GOSISDBHSA-N -1 3 376.420 2.309 20 30 GEEDHM C#CC[C@@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)c1ccccc1 ZINC000823839008 607944165 /nfs/dbraw/zinc/94/41/65/607944165.db2.gz YHALHMKDBMAIPA-OAHLLOKOSA-N -1 3 394.822 2.339 20 30 GEEDHM C#CC[C@@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)c1ccccc1 ZINC000823839008 607944166 /nfs/dbraw/zinc/94/41/66/607944166.db2.gz YHALHMKDBMAIPA-OAHLLOKOSA-N -1 3 394.822 2.339 20 30 GEEDHM C=CCN(Cc1ccc(OC)c(-c2nnn[n-]2)c1)S(=O)(=O)c1cccs1 ZINC000823909728 607971552 /nfs/dbraw/zinc/97/15/52/607971552.db2.gz OTLGPOIDBLUAFB-UHFFFAOYSA-N -1 3 391.478 2.314 20 30 GEEDHM C=CCN(Cc1ccc(OC)c(-c2nn[n-]n2)c1)S(=O)(=O)c1cccs1 ZINC000823909728 607971553 /nfs/dbraw/zinc/97/15/53/607971553.db2.gz OTLGPOIDBLUAFB-UHFFFAOYSA-N -1 3 391.478 2.314 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](C)CC(=O)OCC ZINC000823909850 608033206 /nfs/dbraw/zinc/03/32/06/608033206.db2.gz SAYKHYTXRKXFMN-CQSZACIVSA-N -1 3 386.456 2.154 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)CC(=O)OCC ZINC000823909850 608033207 /nfs/dbraw/zinc/03/32/07/608033207.db2.gz SAYKHYTXRKXFMN-CQSZACIVSA-N -1 3 386.456 2.154 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000826386664 608049346 /nfs/dbraw/zinc/04/93/46/608049346.db2.gz NSUXHAUBANGWEF-QGZVFWFLSA-N -1 3 375.392 2.344 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826386664 608049347 /nfs/dbraw/zinc/04/93/47/608049347.db2.gz NSUXHAUBANGWEF-QGZVFWFLSA-N -1 3 375.392 2.344 20 30 GEEDHM N#Cc1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826385244 608049522 /nfs/dbraw/zinc/04/95/22/608049522.db2.gz CUGXANPVFXBJAZ-QGZVFWFLSA-N -1 3 375.392 2.344 20 30 GEEDHM N#Cc1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826385244 608049523 /nfs/dbraw/zinc/04/95/23/608049523.db2.gz CUGXANPVFXBJAZ-QGZVFWFLSA-N -1 3 375.392 2.344 20 30 GEEDHM N#Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826385243 608049534 /nfs/dbraw/zinc/04/95/34/608049534.db2.gz CUGXANPVFXBJAZ-KRWDZBQOSA-N -1 3 375.392 2.344 20 30 GEEDHM N#Cc1ccc(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826385243 608049535 /nfs/dbraw/zinc/04/95/35/608049535.db2.gz CUGXANPVFXBJAZ-KRWDZBQOSA-N -1 3 375.392 2.344 20 30 GEEDHM N#Cc1cccc([C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CCO2)c1 ZINC000826386647 608053406 /nfs/dbraw/zinc/05/34/06/608053406.db2.gz NAOORKJQRKWFKK-QGZVFWFLSA-N -1 3 377.364 2.224 20 30 GEEDHM N#Cc1cccc([C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CCO2)c1 ZINC000826386647 608053407 /nfs/dbraw/zinc/05/34/07/608053407.db2.gz NAOORKJQRKWFKK-QGZVFWFLSA-N -1 3 377.364 2.224 20 30 GEEDHM N#Cc1cccc(OCCN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826387370 608070727 /nfs/dbraw/zinc/07/07/27/608070727.db2.gz RVLFPSCXHKEYNZ-LJQANCHMSA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1cccc(OCCN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826387370 608070728 /nfs/dbraw/zinc/07/07/28/608070728.db2.gz RVLFPSCXHKEYNZ-LJQANCHMSA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1ccc(CCC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826384887 608083833 /nfs/dbraw/zinc/08/38/33/608083833.db2.gz NRLMADYWZVPSAI-LJQANCHMSA-N -1 3 388.431 2.271 20 30 GEEDHM N#Cc1ccc(CCC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826384887 608083834 /nfs/dbraw/zinc/08/38/34/608083834.db2.gz NRLMADYWZVPSAI-LJQANCHMSA-N -1 3 388.431 2.271 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1CON=Cc1cnn(-c2ccccc2)n1 ZINC000826184783 608154154 /nfs/dbraw/zinc/15/41/54/608154154.db2.gz KNXJWCZUAIBMMR-UHFFFAOYSA-N -1 3 376.380 2.007 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384016 608163548 /nfs/dbraw/zinc/16/35/48/608163548.db2.gz BXJIVLUPJSUTLB-UHFFFAOYSA-N -1 3 383.755 2.481 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384016 608163549 /nfs/dbraw/zinc/16/35/49/608163549.db2.gz BXJIVLUPJSUTLB-UHFFFAOYSA-N -1 3 383.755 2.481 20 30 GEEDHM CCn1c(NC(=O)c2ccccc2OCC#N)nc2cc(-c3nnn[n-]3)ccc21 ZINC000825796779 608179315 /nfs/dbraw/zinc/17/93/15/608179315.db2.gz NOGROMPBVPBCJK-UHFFFAOYSA-N -1 3 388.391 2.391 20 30 GEEDHM CCn1c(NC(=O)c2ccccc2OCC#N)nc2cc(-c3nn[n-]n3)ccc21 ZINC000825796779 608179318 /nfs/dbraw/zinc/17/93/18/608179318.db2.gz NOGROMPBVPBCJK-UHFFFAOYSA-N -1 3 388.391 2.391 20 30 GEEDHM C#CCCCCC(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000823837285 608299832 /nfs/dbraw/zinc/29/98/32/608299832.db2.gz AGSXVCFKXIDFSM-UHFFFAOYSA-N -1 3 389.463 2.257 20 30 GEEDHM C#CCCCCC(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000823837285 608299833 /nfs/dbraw/zinc/29/98/33/608299833.db2.gz AGSXVCFKXIDFSM-UHFFFAOYSA-N -1 3 389.463 2.257 20 30 GEEDHM C#CCCCCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000823841366 608323184 /nfs/dbraw/zinc/32/31/84/608323184.db2.gz LOFLAGFOTIFLHV-NSHDSACASA-N -1 3 387.465 2.481 20 30 GEEDHM C#CCCCCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000823841366 608323185 /nfs/dbraw/zinc/32/31/85/608323185.db2.gz LOFLAGFOTIFLHV-NSHDSACASA-N -1 3 387.465 2.481 20 30 GEEDHM N#CC1(NC(=O)CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCCCC1 ZINC000826380194 608460581 /nfs/dbraw/zinc/46/05/81/608460581.db2.gz QPRIMWSOJMENBD-UHFFFAOYSA-N -1 3 391.479 2.298 20 30 GEEDHM N#CC1(NC(=O)CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCCCC1 ZINC000826380194 608460582 /nfs/dbraw/zinc/46/05/82/608460582.db2.gz QPRIMWSOJMENBD-UHFFFAOYSA-N -1 3 391.479 2.298 20 30 GEEDHM N#CCC[C@H](NCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381378 608555519 /nfs/dbraw/zinc/55/55/19/608555519.db2.gz JIMDIZXLUZTSED-SFHVURJKSA-N -1 3 396.476 2.275 20 30 GEEDHM N#CCC[C@H](NCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381378 608555521 /nfs/dbraw/zinc/55/55/21/608555521.db2.gz JIMDIZXLUZTSED-SFHVURJKSA-N -1 3 396.476 2.275 20 30 GEEDHM C=CCCOCCCCC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823899056 608584978 /nfs/dbraw/zinc/58/49/78/608584978.db2.gz JIGODDYRKNXBKZ-UHFFFAOYSA-N -1 3 384.484 2.278 20 30 GEEDHM C=CCCOCCCCC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823899056 608584979 /nfs/dbraw/zinc/58/49/79/608584979.db2.gz JIGODDYRKNXBKZ-UHFFFAOYSA-N -1 3 384.484 2.278 20 30 GEEDHM N#Cc1cccc(CN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1F ZINC000826386642 608642756 /nfs/dbraw/zinc/64/27/56/608642756.db2.gz MXZHLEMAPYZQMM-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1cccc(CN2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c1F ZINC000826386642 608642757 /nfs/dbraw/zinc/64/27/57/608642757.db2.gz MXZHLEMAPYZQMM-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM CCN(C(=O)[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367335 609210911 /nfs/dbraw/zinc/21/09/11/609210911.db2.gz NMBFISLFGYXTMN-UGSOOPFHSA-N -1 3 376.420 2.381 20 30 GEEDHM CCN(C(=O)[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367335 609210912 /nfs/dbraw/zinc/21/09/12/609210912.db2.gz NMBFISLFGYXTMN-UGSOOPFHSA-N -1 3 376.420 2.381 20 30 GEEDHM CCOc1ccc(N(CCC#N)C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825638134 609222815 /nfs/dbraw/zinc/22/28/15/609222815.db2.gz GPSLUWLPKCAAHD-SFHVURJKSA-N -1 3 392.419 2.246 20 30 GEEDHM CCOc1ccc(N(CCC#N)C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825638134 609222816 /nfs/dbraw/zinc/22/28/16/609222816.db2.gz GPSLUWLPKCAAHD-SFHVURJKSA-N -1 3 392.419 2.246 20 30 GEEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826383356 609289261 /nfs/dbraw/zinc/28/92/61/609289261.db2.gz WZRABPAEFURMGU-UHFFFAOYSA-N -1 3 388.366 2.244 20 30 GEEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826383356 609289262 /nfs/dbraw/zinc/28/92/62/609289262.db2.gz WZRABPAEFURMGU-UHFFFAOYSA-N -1 3 388.366 2.244 20 30 GEEDHM C[C@@H](C#N)CN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C1CC1 ZINC000824033921 609357094 /nfs/dbraw/zinc/35/70/94/609357094.db2.gz CTGCUQNSDQKESX-NSHDSACASA-N -1 3 395.402 2.347 20 30 GEEDHM CC1(C#N)CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CC1 ZINC000824779918 609366025 /nfs/dbraw/zinc/36/60/25/609366025.db2.gz XZEWXWHNLAIREB-UHFFFAOYSA-N -1 3 395.402 2.349 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H](NCc3ccc(-c4nn[n-]n4)cc3F)C2=O)cc1 ZINC000826385677 609415881 /nfs/dbraw/zinc/41/58/81/609415881.db2.gz WRRRSRYRECSHPG-GOSISDBHSA-N -1 3 391.410 2.163 20 30 GEEDHM N#Cc1ccc(S[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nc1 ZINC000826385859 609419412 /nfs/dbraw/zinc/41/94/12/609419412.db2.gz FEYIJIIZCCICFN-OAHLLOKOSA-N -1 3 377.433 2.421 20 30 GEEDHM N#Cc1ccc(S[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nc1 ZINC000826385859 609419415 /nfs/dbraw/zinc/41/94/15/609419415.db2.gz FEYIJIIZCCICFN-OAHLLOKOSA-N -1 3 377.433 2.421 20 30 GEEDHM N#Cc1c(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)nc2ccccn12 ZINC000826383829 609462226 /nfs/dbraw/zinc/46/22/26/609462226.db2.gz SBXAJHYRQWJJSP-UHFFFAOYSA-N -1 3 385.435 2.103 20 30 GEEDHM N#Cc1c(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)nc2ccccn12 ZINC000826383829 609462228 /nfs/dbraw/zinc/46/22/28/609462228.db2.gz SBXAJHYRQWJJSP-UHFFFAOYSA-N -1 3 385.435 2.103 20 30 GEEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000823958312 609472459 /nfs/dbraw/zinc/47/24/59/609472459.db2.gz IPDDFHUNZCURPJ-UHFFFAOYSA-N -1 3 391.844 2.004 20 30 GEEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(S(N)(=O)=O)c1 ZINC000823958312 609472461 /nfs/dbraw/zinc/47/24/61/609472461.db2.gz IPDDFHUNZCURPJ-UHFFFAOYSA-N -1 3 391.844 2.004 20 30 GEEDHM COCCOc1ccc(C#N)cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826162776 609485804 /nfs/dbraw/zinc/48/58/04/609485804.db2.gz RPXNBQOFXMIWFE-UHFFFAOYSA-N -1 3 380.408 2.254 20 30 GEEDHM COCCOc1ccc(C#N)cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826162776 609485807 /nfs/dbraw/zinc/48/58/07/609485807.db2.gz RPXNBQOFXMIWFE-UHFFFAOYSA-N -1 3 380.408 2.254 20 30 GEEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCCOc1cccc(C#N)c1 ZINC000826162206 609486007 /nfs/dbraw/zinc/48/60/07/609486007.db2.gz RXHFKGNWJLGQJR-UHFFFAOYSA-N -1 3 380.408 2.254 20 30 GEEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCCOc1cccc(C#N)c1 ZINC000826162206 609486009 /nfs/dbraw/zinc/48/60/09/609486009.db2.gz RXHFKGNWJLGQJR-UHFFFAOYSA-N -1 3 380.408 2.254 20 30 GEEDHM COc1cccc(C=N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1O ZINC000826215487 609505199 /nfs/dbraw/zinc/50/51/99/609505199.db2.gz PYVUQOXSMCFPGX-GKXUUXLPSA-N -1 3 392.419 2.195 20 30 GEEDHM COc1cccc(C=N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1O ZINC000826215487 609505201 /nfs/dbraw/zinc/50/52/01/609505201.db2.gz PYVUQOXSMCFPGX-GKXUUXLPSA-N -1 3 392.419 2.195 20 30 GEEDHM N#Cc1ccc(CS(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826384761 609513773 /nfs/dbraw/zinc/51/37/73/609513773.db2.gz IMBJOBCVWVKROM-UHFFFAOYSA-N -1 3 375.797 2.301 20 30 GEEDHM N#Cc1ccc(CS(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826384761 609513775 /nfs/dbraw/zinc/51/37/75/609513775.db2.gz IMBJOBCVWVKROM-UHFFFAOYSA-N -1 3 375.797 2.301 20 30 GEEDHM CCO[C@H](CNc1nccc(C)c1C#N)CNc1nccc(C)c1-c1nnn[n-]1 ZINC000825577508 609586263 /nfs/dbraw/zinc/58/62/63/609586263.db2.gz XTDMKNDGAYBUKI-CQSZACIVSA-N -1 3 393.455 2.074 20 30 GEEDHM CCO[C@H](CNc1nccc(C)c1C#N)CNc1nccc(C)c1-c1nn[n-]n1 ZINC000825577508 609586265 /nfs/dbraw/zinc/58/62/65/609586265.db2.gz XTDMKNDGAYBUKI-CQSZACIVSA-N -1 3 393.455 2.074 20 30 GEEDHM O=C(C#Cc1ccc2c(c1)OCO2)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826396942 609619342 /nfs/dbraw/zinc/61/93/42/609619342.db2.gz OZACECWAJIENFD-UHFFFAOYSA-N -1 3 382.763 2.344 20 30 GEEDHM O=C(C#Cc1ccc2c(c1)OCO2)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826396942 609619344 /nfs/dbraw/zinc/61/93/44/609619344.db2.gz OZACECWAJIENFD-UHFFFAOYSA-N -1 3 382.763 2.344 20 30 GEEDHM C=CCCc1ccccc1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000504277312 650429480 /nfs/dbraw/zinc/42/94/80/650429480.db2.gz QYTJIXJXLHOLRX-UHFFFAOYSA-N -1 3 378.226 2.469 20 30 GEEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000508070972 650473476 /nfs/dbraw/zinc/47/34/76/650473476.db2.gz YUELXCXHJJVEFN-LBPRGKRZSA-N -1 3 381.332 2.211 20 30 GEEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ncc(Br)cn1 ZINC000514905872 650583049 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GEEDHM C[C@H](C#N)S(=O)(=O)[N-][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000416467379 648135191 /nfs/dbraw/zinc/13/51/91/648135191.db2.gz BNODRNGOYGSLJJ-BXKDBHETSA-N -1 3 376.265 2.320 20 30 GEEDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@H](O)C(F)F ZINC000416497516 648149341 /nfs/dbraw/zinc/14/93/41/648149341.db2.gz RZVPQVKPVYPURG-ONGXEEELSA-N -1 3 383.214 2.004 20 30 GEEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@@H](O)C(F)F ZINC000416497515 648149462 /nfs/dbraw/zinc/14/94/62/648149462.db2.gz RZVPQVKPVYPURG-MWLCHTKSSA-N -1 3 383.214 2.004 20 30 GEEDHM C=CC[C@H](CC)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441104103 648820387 /nfs/dbraw/zinc/82/03/87/648820387.db2.gz MVUOGGJIOFQWSO-LBPRGKRZSA-N -1 3 377.869 2.411 20 30 GEEDHM C=CCCCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441127296 648820988 /nfs/dbraw/zinc/82/09/88/648820988.db2.gz ZQXKTSGLPMNIAR-UHFFFAOYSA-N -1 3 377.869 2.413 20 30 GEEDHM Cc1cccc2c1NC(=O)C2=N[N-]c1ncnc2c1c(Br)nn2C ZINC000726741569 651501442 /nfs/dbraw/zinc/50/14/42/651501442.db2.gz PBCKXAWQJBEMGG-UHFFFAOYSA-N -1 3 386.213 2.203 20 30 GEEDHM C#Cc1cccc(NC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000731894515 651637337 /nfs/dbraw/zinc/63/73/37/651637337.db2.gz VVXZREQBFMCLSS-LBPRGKRZSA-N -1 3 377.853 2.412 20 30 GEEDHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C#N)CC(C)C)cc1F ZINC000611437667 651723861 /nfs/dbraw/zinc/72/38/61/651723861.db2.gz IDFDNADFUVOQEO-LBPRGKRZSA-N -1 3 391.490 2.194 20 30 GEEDHM N#Cc1ccc([C@@H](OC(=O)c2cccc(Br)c2[O-])C(N)=O)cc1 ZINC000734583089 651749945 /nfs/dbraw/zinc/74/99/45/651749945.db2.gz QOURGSJUEVELNH-CQSZACIVSA-N -1 3 375.178 2.410 20 30 GEEDHM O=C([C@H]1CC[C@@H](C(F)(F)F)[N-]C1=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000652752365 651923351 /nfs/dbraw/zinc/92/33/51/651923351.db2.gz PDKKUHKSBUVQRL-YUMQZZPRSA-N -1 3 376.272 2.337 20 30 GEEDHM C[C@H](CC(=O)N[C@H](C)c1cccs1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742482461 651990591 /nfs/dbraw/zinc/99/05/91/651990591.db2.gz GHDBIFWIDJHRAL-VXGBXAGGSA-N -1 3 377.491 2.443 20 30 GEEDHM CSCCCOC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744459435 652049316 /nfs/dbraw/zinc/04/93/16/652049316.db2.gz AUKMQZWXILGNDK-CQSZACIVSA-N -1 3 384.523 2.436 20 30 GEEDHM CCc1ncsc1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000747481827 652166220 /nfs/dbraw/zinc/16/62/20/652166220.db2.gz IBMRKFVSTOQNCV-SNVBAGLBSA-N -1 3 378.479 2.161 20 30 GEEDHM C=CCCC(C)(C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000664814462 652539905 /nfs/dbraw/zinc/53/99/05/652539905.db2.gz DUEWYKXGUDAVRM-UHFFFAOYSA-N -1 3 375.441 2.287 20 30 GEEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)nn1 ZINC000632635830 652570134 /nfs/dbraw/zinc/57/01/34/652570134.db2.gz OFOKHFSDBXHROW-UHFFFAOYSA-N -1 3 378.351 2.491 20 30 GEEDHM C[C@@H](CC(=O)OCc1cnc(Cl)s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000760530706 652612989 /nfs/dbraw/zinc/61/29/89/652612989.db2.gz MPCKEKVESKYOLF-VIFPVBQESA-N -1 3 399.881 2.357 20 30 GEEDHM COCCC1N=NC(=S)N1N=Cc1ccc(OC)c([O-])c1Br ZINC000761010961 652630097 /nfs/dbraw/zinc/63/00/97/652630097.db2.gz GEXYREVVPJHNLE-UHFFFAOYSA-N -1 3 387.259 2.115 20 30 GEEDHM NS(=O)(=O)c1ccc(NN=Cc2cc(Cl)cc(F)c2[O-])c([N+](=O)[O-])c1 ZINC000768358571 653111237 /nfs/dbraw/zinc/11/12/37/653111237.db2.gz XYTYFFJWLMIWMZ-UHFFFAOYSA-N -1 3 388.764 2.186 20 30 GEEDHM CS[C@H](C)COC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000835676201 653284122 /nfs/dbraw/zinc/28/41/22/653284122.db2.gz HRIRDVXRMCCKTJ-OCCSQVGLSA-N -1 3 384.523 2.435 20 30 GEEDHM CC[C@@H](C)[C@H]([N-]C(=O)C(=O)NCCOC(F)(F)C(F)(F)F)C(F)(F)F ZINC000874307765 653304843 /nfs/dbraw/zinc/30/48/43/653304843.db2.gz PQZWEFYFEYPHEN-RQJHMYQMSA-N -1 3 388.255 2.368 20 30 GEEDHM C#C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@H]1CCCO1 ZINC000775342042 653311297 /nfs/dbraw/zinc/31/12/97/653311297.db2.gz RVAREDMKYMJRSY-BLLLJJGKSA-N -1 3 375.222 2.201 20 30 GEEDHM C#C[C@H]1CC[C@H](NC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CC1 ZINC000874863443 653339852 /nfs/dbraw/zinc/33/98/52/653339852.db2.gz 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COc1ccc(Cl)cc1C#CCOC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000815221842 653655107 /nfs/dbraw/zinc/65/51/07/653655107.db2.gz KKDJDGHYCLGGBP-OAHLLOKOSA-N -1 3 387.885 2.207 20 30 GEEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Cl)ccc1I ZINC000816756515 653692758 /nfs/dbraw/zinc/69/27/58/653692758.db2.gz YUVATHPKAIKFFW-JTQLQIEISA-N -1 3 394.596 2.055 20 30 GEEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000816689993 653690544 /nfs/dbraw/zinc/69/05/44/653690544.db2.gz DTVNRMBAWZZLCK-ZDUSSCGKSA-N -1 3 395.209 2.341 20 30 GEEDHM C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816758014 653692889 /nfs/dbraw/zinc/69/28/89/653692889.db2.gz GTTHLENONOGSAF-LDYMZIIASA-N -1 3 391.649 2.366 20 30 GEEDHM [O-]c1cccc(Br)c1CN=Nc1nccc(N2CCOCC2)n1 ZINC000863098551 653702225 /nfs/dbraw/zinc/70/22/25/653702225.db2.gz MXOXRSDMARZJEG-UHFFFAOYSA-N -1 3 378.230 2.227 20 30 GEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCc1ccc(F)c(Cl)c1 ZINC000787579466 653740445 /nfs/dbraw/zinc/74/04/45/653740445.db2.gz 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C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000298595706 532662724 /nfs/dbraw/zinc/66/27/24/532662724.db2.gz ONJGHWOCQRJVNC-NSHDSACASA-N -1 3 378.479 2.088 20 30 GEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000377782520 532669364 /nfs/dbraw/zinc/66/93/64/532669364.db2.gz PUJFWCZEFDQWNJ-HOCLYGCPSA-N -1 3 384.885 2.200 20 30 GEEDHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1CCN(CC#N)CC1 ZINC000599228302 532655174 /nfs/dbraw/zinc/65/51/74/532655174.db2.gz COVWTFDOYKMHIZ-UHFFFAOYSA-N -1 3 390.278 2.163 20 30 GEEDHM CCCOc1ccc(/C=N/[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c([O-])c1 ZINC000285352213 532672603 /nfs/dbraw/zinc/67/26/03/532672603.db2.gz MVYSGKCWPCIOPL-FRSZACSASA-N -1 3 382.404 2.422 20 30 GEEDHM C=CCCC(C)(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000660143275 532674034 /nfs/dbraw/zinc/67/40/34/532674034.db2.gz OZMQDRARVKFDQG-UHFFFAOYSA-N -1 3 390.527 2.480 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(Br)cc2)c(F)c1 ZINC000536607947 532694741 /nfs/dbraw/zinc/69/47/41/532694741.db2.gz CMVKCMABYFUOLU-AWEZNQCLSA-N -1 3 399.241 2.472 20 30 GEEDHM N#C[C@H]1COCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000539436599 532730173 /nfs/dbraw/zinc/73/01/73/532730173.db2.gz PHEOYKNBXYWTDF-VIFPVBQESA-N -1 3 396.628 2.309 20 30 GEEDHM N#C[C@H]1COCCN1C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000539436599 532730177 /nfs/dbraw/zinc/73/01/77/532730177.db2.gz PHEOYKNBXYWTDF-VIFPVBQESA-N -1 3 396.628 2.309 20 30 GEEDHM N#C[C@@H]1COCCN1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000539436598 532730207 /nfs/dbraw/zinc/73/02/07/532730207.db2.gz PHEOYKNBXYWTDF-SECBINFHSA-N -1 3 396.628 2.309 20 30 GEEDHM N#C[C@@H]1COCCN1C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000539436598 532730212 /nfs/dbraw/zinc/73/02/12/532730212.db2.gz PHEOYKNBXYWTDF-SECBINFHSA-N -1 3 396.628 2.309 20 30 GEEDHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)s1 ZINC000267152888 532735077 /nfs/dbraw/zinc/73/50/77/532735077.db2.gz CWFPNBSREBMAFW-SNVBAGLBSA-N -1 3 380.447 2.454 20 30 GEEDHM CC(C)CCN(CCC#N)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442954874 532736009 /nfs/dbraw/zinc/73/60/09/532736009.db2.gz UPGHHNIZXNGWHW-UHFFFAOYSA-N -1 3 382.877 2.471 20 30 GEEDHM CC(C)CCN(CCC#N)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442954874 532736015 /nfs/dbraw/zinc/73/60/15/532736015.db2.gz UPGHHNIZXNGWHW-UHFFFAOYSA-N -1 3 382.877 2.471 20 30 GEEDHM CC(=O)N1C[C@@H]2CCC[C@@H]([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)[C@H]2C1 ZINC000588906602 532771745 /nfs/dbraw/zinc/77/17/45/532771745.db2.gz QUTKUGPSDGNTGG-OFQRWUPVSA-N -1 3 381.885 2.137 20 30 GEEDHM Cc1cnc(S(C)(=O)=O)nc1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000459848680 532798091 /nfs/dbraw/zinc/79/80/91/532798091.db2.gz OAHZXJDLUVEAQL-UHFFFAOYSA-N -1 3 376.463 2.253 20 30 GEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C2CC2)C(F)(F)F)ccc1F ZINC000288543815 532830255 /nfs/dbraw/zinc/83/02/55/532830255.db2.gz WWQQHIAPKISUQZ-CYBMUJFWSA-N -1 3 380.363 2.361 20 30 GEEDHM CS(=O)(=O)CCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000274730803 532855111 /nfs/dbraw/zinc/85/51/11/532855111.db2.gz KMIYHUMKXKBLAY-UHFFFAOYSA-N -1 3 398.428 2.070 20 30 GEEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@@H]1OC ZINC000274726898 532854966 /nfs/dbraw/zinc/85/49/66/532854966.db2.gz FWPPABSCKMBYJO-SCRDCRAPSA-N -1 3 378.372 2.048 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(CN3CCOCC3)CCCCC2)s1 ZINC000333160664 532865309 /nfs/dbraw/zinc/86/53/09/532865309.db2.gz NLGWOQXUXDKSJO-UHFFFAOYSA-N -1 3 383.539 2.181 20 30 GEEDHM N#CC1(CNC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000416359129 532871753 /nfs/dbraw/zinc/87/17/53/532871753.db2.gz NSWYAEXBARLUSO-UHFFFAOYSA-N -1 3 390.292 2.472 20 30 GEEDHM N#CC1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000290066131 532871609 /nfs/dbraw/zinc/87/16/09/532871609.db2.gz FUFZNPRVELYKDO-UHFFFAOYSA-N -1 3 376.265 2.034 20 30 GEEDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2C#N)n[nH]1 ZINC000416444295 532877419 /nfs/dbraw/zinc/87/74/19/532877419.db2.gz XUFDCSXJBIJVMA-QMMMGPOBSA-N -1 3 384.259 2.041 20 30 GEEDHM Cc1cccc(N(CCC#N)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737395430 598845310 /nfs/dbraw/zinc/84/53/10/598845310.db2.gz CMWYMVBRIDDIEU-UHFFFAOYSA-N -1 3 386.412 2.423 20 30 GEEDHM Cc1cccc(N(CCC#N)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737395430 598845311 /nfs/dbraw/zinc/84/53/11/598845311.db2.gz CMWYMVBRIDDIEU-UHFFFAOYSA-N -1 3 386.412 2.423 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000737720993 598868577 /nfs/dbraw/zinc/86/85/77/598868577.db2.gz DYLRNKLEBJMJBC-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000737720993 598868580 /nfs/dbraw/zinc/86/85/80/598868580.db2.gz DYLRNKLEBJMJBC-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)COc1ccc(C#N)cc1 ZINC000736037497 598880763 /nfs/dbraw/zinc/88/07/63/598880763.db2.gz LYXBTYXCLZCTRQ-ZDUSSCGKSA-N -1 3 379.376 2.128 20 30 GEEDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)COc1ccc(C#N)cc1 ZINC000736037497 598880764 /nfs/dbraw/zinc/88/07/64/598880764.db2.gz LYXBTYXCLZCTRQ-ZDUSSCGKSA-N -1 3 379.376 2.128 20 30 GEEDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccccc1OCC#N ZINC000736039713 598889427 /nfs/dbraw/zinc/88/94/27/598889427.db2.gz KGDGKJOPVLVLIK-CYBMUJFWSA-N -1 3 379.376 2.393 20 30 GEEDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccccc1OCC#N ZINC000736039713 598889428 /nfs/dbraw/zinc/88/94/28/598889428.db2.gz KGDGKJOPVLVLIK-CYBMUJFWSA-N -1 3 379.376 2.393 20 30 GEEDHM CC(C)(C)c1noc(CCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)n1 ZINC000735655705 598921779 /nfs/dbraw/zinc/92/17/79/598921779.db2.gz RBURUIXFBQFHNO-UHFFFAOYSA-N -1 3 380.412 2.380 20 30 GEEDHM CC(C)(C)c1noc(CCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)n1 ZINC000735655705 598921781 /nfs/dbraw/zinc/92/17/81/598921781.db2.gz RBURUIXFBQFHNO-UHFFFAOYSA-N -1 3 380.412 2.380 20 30 GEEDHM CCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1-c1ccccn1 ZINC000736672112 598925254 /nfs/dbraw/zinc/92/52/54/598925254.db2.gz YQMMAVGJAMRXQY-UHFFFAOYSA-N -1 3 385.391 2.134 20 30 GEEDHM CCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1-c1ccccn1 ZINC000736672112 598925256 /nfs/dbraw/zinc/92/52/56/598925256.db2.gz YQMMAVGJAMRXQY-UHFFFAOYSA-N -1 3 385.391 2.134 20 30 GEEDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nnn1-c1ccc(C)cc1 ZINC000737305332 598926998 /nfs/dbraw/zinc/92/69/98/598926998.db2.gz HDFIQZVWLDAYSU-UHFFFAOYSA-N -1 3 385.391 2.188 20 30 GEEDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nnn1-c1ccc(C)cc1 ZINC000737305332 598926999 /nfs/dbraw/zinc/92/69/99/598926999.db2.gz HDFIQZVWLDAYSU-UHFFFAOYSA-N -1 3 385.391 2.188 20 30 GEEDHM CCS(=O)(=O)Nc1ccc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821440743 607253454 /nfs/dbraw/zinc/25/34/54/607253454.db2.gz BDTSUNOTIAUPQT-UHFFFAOYSA-N -1 3 399.480 2.142 20 30 GEEDHM CCS(=O)(=O)Nc1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821440743 607253455 /nfs/dbraw/zinc/25/34/55/607253455.db2.gz BDTSUNOTIAUPQT-UHFFFAOYSA-N -1 3 399.480 2.142 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1c[nH]c2ncccc12 ZINC000735425606 598954354 /nfs/dbraw/zinc/95/43/54/598954354.db2.gz CMLMJOALOWCFKE-UHFFFAOYSA-N -1 3 395.448 2.120 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1c[nH]c2ncccc12 ZINC000735425606 598954355 /nfs/dbraw/zinc/95/43/55/598954355.db2.gz CMLMJOALOWCFKE-UHFFFAOYSA-N -1 3 395.448 2.120 20 30 GEEDHM N#Cc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)cn1 ZINC000737709214 598992462 /nfs/dbraw/zinc/99/24/62/598992462.db2.gz JIMQTTQOVMVOCC-UHFFFAOYSA-N -1 3 387.325 2.338 20 30 GEEDHM N#Cc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)cn1 ZINC000737709214 598992464 /nfs/dbraw/zinc/99/24/64/598992464.db2.gz JIMQTTQOVMVOCC-UHFFFAOYSA-N -1 3 387.325 2.338 20 30 GEEDHM C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000735374863 599001530 /nfs/dbraw/zinc/00/15/30/599001530.db2.gz NLPVTVFAGRAWLG-UHFFFAOYSA-N -1 3 385.424 2.138 20 30 GEEDHM C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735374863 599001531 /nfs/dbraw/zinc/00/15/31/599001531.db2.gz NLPVTVFAGRAWLG-UHFFFAOYSA-N -1 3 385.424 2.138 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000735381740 599092783 /nfs/dbraw/zinc/09/27/83/599092783.db2.gz YZCAXFBZCNFSKU-UHFFFAOYSA-N -1 3 397.366 2.044 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000735381740 599092785 /nfs/dbraw/zinc/09/27/85/599092785.db2.gz YZCAXFBZCNFSKU-UHFFFAOYSA-N -1 3 397.366 2.044 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735380676 599094974 /nfs/dbraw/zinc/09/49/74/599094974.db2.gz LAOQEXHKIORTAA-LBPRGKRZSA-N -1 3 381.367 2.424 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735380676 599094977 /nfs/dbraw/zinc/09/49/77/599094977.db2.gz LAOQEXHKIORTAA-LBPRGKRZSA-N -1 3 381.367 2.424 20 30 GEEDHM C[C@@H]1Sc2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc2NC1=O ZINC000736300760 599112941 /nfs/dbraw/zinc/11/29/41/599112941.db2.gz FMOBIMBTOIBPDR-VIFPVBQESA-N -1 3 391.416 2.423 20 30 GEEDHM C[C@@H]1Sc2ccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc2NC1=O ZINC000736300760 599112943 /nfs/dbraw/zinc/11/29/43/599112943.db2.gz FMOBIMBTOIBPDR-VIFPVBQESA-N -1 3 391.416 2.423 20 30 GEEDHM CCCN1c2ccccc2C(=NN=Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1=O ZINC000736478615 599125900 /nfs/dbraw/zinc/12/59/00/599125900.db2.gz AFKCDSJCOBTDFS-UHFFFAOYSA-N -1 3 389.419 2.455 20 30 GEEDHM CCCN1c2ccccc2C(=NN=Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1=O ZINC000736478615 599125902 /nfs/dbraw/zinc/12/59/02/599125902.db2.gz AFKCDSJCOBTDFS-UHFFFAOYSA-N -1 3 389.419 2.455 20 30 GEEDHM COc1ccc(C=NN2C(=S)N=NC2c2ccccc2F)cc1-c1nnn[n-]1 ZINC000737081769 599126439 /nfs/dbraw/zinc/12/64/39/599126439.db2.gz BMEQCCOFCQKPMB-UHFFFAOYSA-N -1 3 396.411 2.444 20 30 GEEDHM COc1ccc(C=NN2C(=S)N=NC2c2ccccc2F)cc1-c1nn[n-]n1 ZINC000737081769 599126441 /nfs/dbraw/zinc/12/64/41/599126441.db2.gz BMEQCCOFCQKPMB-UHFFFAOYSA-N -1 3 396.411 2.444 20 30 GEEDHM C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735403090 599192347 /nfs/dbraw/zinc/19/23/47/599192347.db2.gz OZEBAKVVJNVNPU-UHFFFAOYSA-N -1 3 385.387 2.194 20 30 GEEDHM C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735403090 599192350 /nfs/dbraw/zinc/19/23/50/599192350.db2.gz OZEBAKVVJNVNPU-UHFFFAOYSA-N -1 3 385.387 2.194 20 30 GEEDHM COC(=O)c1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736952544 599199898 /nfs/dbraw/zinc/19/98/98/599199898.db2.gz ZGCJCTPNCWNDIJ-UHFFFAOYSA-N -1 3 376.376 2.096 20 30 GEEDHM COC(=O)c1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736952544 599199900 /nfs/dbraw/zinc/19/99/00/599199900.db2.gz ZGCJCTPNCWNDIJ-UHFFFAOYSA-N -1 3 376.376 2.096 20 30 GEEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735410225 599218077 /nfs/dbraw/zinc/21/80/77/599218077.db2.gz XOCVQTQYMXOCFJ-LBPRGKRZSA-N -1 3 393.407 2.073 20 30 GEEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735410225 599218080 /nfs/dbraw/zinc/21/80/80/599218080.db2.gz XOCVQTQYMXOCFJ-LBPRGKRZSA-N -1 3 393.407 2.073 20 30 GEEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCCNc1ccc(C#N)cn1 ZINC000737264494 599270827 /nfs/dbraw/zinc/27/08/27/599270827.db2.gz RSPGCFQVOYWOFL-UHFFFAOYSA-N -1 3 389.398 2.075 20 30 GEEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCCNc1ccc(C#N)cn1 ZINC000737264494 599270830 /nfs/dbraw/zinc/27/08/30/599270830.db2.gz RSPGCFQVOYWOFL-UHFFFAOYSA-N -1 3 389.398 2.075 20 30 GEEDHM N#Cc1cnc2ccc(Cl)cc2c1NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737727975 599271211 /nfs/dbraw/zinc/27/12/11/599271211.db2.gz GJDYJABMTGRGCT-UHFFFAOYSA-N -1 3 391.826 2.281 20 30 GEEDHM N#Cc1cnc2ccc(Cl)cc2c1NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737727975 599271214 /nfs/dbraw/zinc/27/12/14/599271214.db2.gz GJDYJABMTGRGCT-UHFFFAOYSA-N -1 3 391.826 2.281 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccn(CCC#N)n1 ZINC000819745759 599282933 /nfs/dbraw/zinc/28/29/33/599282933.db2.gz RDLBPNIYUXSIHT-UHFFFAOYSA-N -1 3 377.412 2.197 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccn(CCC#N)n1 ZINC000819745759 599282935 /nfs/dbraw/zinc/28/29/35/599282935.db2.gz RDLBPNIYUXSIHT-UHFFFAOYSA-N -1 3 377.412 2.197 20 30 GEEDHM N#Cc1c(N)n[nH]c1CCCNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000822818963 607344816 /nfs/dbraw/zinc/34/48/16/607344816.db2.gz JHHPCEPJWWBSNA-UHFFFAOYSA-N -1 3 377.334 2.107 20 30 GEEDHM N#Cc1c(N)n[nH]c1CCCNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000822818963 607344817 /nfs/dbraw/zinc/34/48/17/607344817.db2.gz JHHPCEPJWWBSNA-UHFFFAOYSA-N -1 3 377.334 2.107 20 30 GEEDHM N#Cc1ccc(N2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)c(F)c1 ZINC000737718924 598245996 /nfs/dbraw/zinc/24/59/96/598245996.db2.gz QLURQXRIDHQIFZ-UHFFFAOYSA-N -1 3 390.426 2.088 20 30 GEEDHM N#Cc1ccc(N2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)c(F)c1 ZINC000737718924 598245998 /nfs/dbraw/zinc/24/59/98/598245998.db2.gz QLURQXRIDHQIFZ-UHFFFAOYSA-N -1 3 390.426 2.088 20 30 GEEDHM CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735602348 598253412 /nfs/dbraw/zinc/25/34/12/598253412.db2.gz MQCVVYQKVIXHAN-UHFFFAOYSA-N -1 3 382.877 2.471 20 30 GEEDHM CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735602348 598253413 /nfs/dbraw/zinc/25/34/13/598253413.db2.gz MQCVVYQKVIXHAN-UHFFFAOYSA-N -1 3 382.877 2.471 20 30 GEEDHM N#Cc1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c(F)c1 ZINC000737711348 598256880 /nfs/dbraw/zinc/25/68/80/598256880.db2.gz ISKXBRXQIYXPNM-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(S[C@@H](C)C(=O)N(C)CCC#N)n1 ZINC000737247154 598296055 /nfs/dbraw/zinc/29/60/55/598296055.db2.gz ZPTWIICUULMHGI-VIFPVBQESA-N -1 3 399.402 2.442 20 30 GEEDHM C=c1[nH]c(=O)[nH]c(=O)c1=C(C)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735451008 598313863 /nfs/dbraw/zinc/31/38/63/598313863.db2.gz MNYHQYQCNYLQGI-UHFFFAOYSA-N -1 3 394.317 2.231 20 30 GEEDHM C#CCOc1cccc(COC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381351 598414389 /nfs/dbraw/zinc/41/43/89/598414389.db2.gz UFGNVKCQGBXLMR-AWEZNQCLSA-N -1 3 378.388 2.389 20 30 GEEDHM CCOc1cccc(C=NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1O ZINC000736654954 598439185 /nfs/dbraw/zinc/43/91/85/598439185.db2.gz OCHFAKKOJRNLIL-CIAFOILYSA-N -1 3 393.451 2.454 20 30 GEEDHM CCOc1cccc(C=NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1O ZINC000736654954 598439186 /nfs/dbraw/zinc/43/91/86/598439186.db2.gz OCHFAKKOJRNLIL-CIAFOILYSA-N -1 3 393.451 2.454 20 30 GEEDHM N#Cc1ccc(OC(F)F)c(NC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000737722564 598546886 /nfs/dbraw/zinc/54/68/86/598546886.db2.gz WHYPNFPFSUXTGA-UHFFFAOYSA-N -1 3 386.318 2.357 20 30 GEEDHM N#Cc1ccc(OC(F)F)c(NC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000737722564 598546888 /nfs/dbraw/zinc/54/68/88/598546888.db2.gz WHYPNFPFSUXTGA-UHFFFAOYSA-N -1 3 386.318 2.357 20 30 GEEDHM N#Cc1ccc(OCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737721535 598547096 /nfs/dbraw/zinc/54/70/96/598547096.db2.gz KYVVQGZAEANIOH-UHFFFAOYSA-N -1 3 386.318 2.357 20 30 GEEDHM N#Cc1ccc(OCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737721535 598547098 /nfs/dbraw/zinc/54/70/98/598547098.db2.gz KYVVQGZAEANIOH-UHFFFAOYSA-N -1 3 386.318 2.357 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccccc1C=O ZINC000735425779 598553809 /nfs/dbraw/zinc/55/38/09/598553809.db2.gz GPGSKNTVQWGHSM-UHFFFAOYSA-N -1 3 383.433 2.056 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccccc1C=O ZINC000735425779 598553810 /nfs/dbraw/zinc/55/38/10/598553810.db2.gz GPGSKNTVQWGHSM-UHFFFAOYSA-N -1 3 383.433 2.056 20 30 GEEDHM C#CCN(CC)C(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735374452 598564808 /nfs/dbraw/zinc/56/48/08/598564808.db2.gz JADDHOTZYBGDBF-UHFFFAOYSA-N -1 3 390.403 2.079 20 30 GEEDHM C#CCN(CC)C(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735374452 598564809 /nfs/dbraw/zinc/56/48/09/598564809.db2.gz JADDHOTZYBGDBF-UHFFFAOYSA-N -1 3 390.403 2.079 20 30 GEEDHM CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736823351 598577171 /nfs/dbraw/zinc/57/71/71/598577171.db2.gz XPSNSIZTTXYTOX-LJQANCHMSA-N -1 3 387.447 2.366 20 30 GEEDHM CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736823350 598577550 /nfs/dbraw/zinc/57/75/50/598577550.db2.gz XPSNSIZTTXYTOX-IBGZPJMESA-N -1 3 387.447 2.366 20 30 GEEDHM C=C(Br)COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735397694 598619594 /nfs/dbraw/zinc/61/95/94/598619594.db2.gz CCNBWRIGNDMOOA-ZDUSSCGKSA-N -1 3 378.230 2.287 20 30 GEEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735503571 598625407 /nfs/dbraw/zinc/62/54/07/598625407.db2.gz JPBDZHWHQPJCFQ-HXUWFJFHSA-N -1 3 376.420 2.277 20 30 GEEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735503571 598625409 /nfs/dbraw/zinc/62/54/09/598625409.db2.gz JPBDZHWHQPJCFQ-HXUWFJFHSA-N -1 3 376.420 2.277 20 30 GEEDHM Cc1nn(C)c2ncc(C=CC(=O)c3c(C)n4c(c3-c3nnn[n-]3)CCC4)cc12 ZINC000737509567 598639463 /nfs/dbraw/zinc/63/94/63/598639463.db2.gz CCMAVVHSZPZFQX-VOTSOKGWSA-N -1 3 388.435 2.409 20 30 GEEDHM Cc1nn(C)c2ncc(C=CC(=O)c3c(C)n4c(c3-c3nn[n-]n3)CCC4)cc12 ZINC000737509567 598639465 /nfs/dbraw/zinc/63/94/65/598639465.db2.gz CCMAVVHSZPZFQX-VOTSOKGWSA-N -1 3 388.435 2.409 20 30 GEEDHM C=CCOc1ccccc1CNC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000735437169 598667189 /nfs/dbraw/zinc/66/71/89/598667189.db2.gz YOMJHMTVAYGCMS-UHFFFAOYSA-N -1 3 395.419 2.135 20 30 GEEDHM C=CCOc1ccccc1CNC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000735437169 598667191 /nfs/dbraw/zinc/66/71/91/598667191.db2.gz YOMJHMTVAYGCMS-UHFFFAOYSA-N -1 3 395.419 2.135 20 30 GEEDHM N#C[C@]1(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCSC1 ZINC000737677899 598687040 /nfs/dbraw/zinc/68/70/40/598687040.db2.gz FBPLZHVSGZEFOB-GOSISDBHSA-N -1 3 393.432 2.183 20 30 GEEDHM N#C[C@]1(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCSC1 ZINC000737677899 598687043 /nfs/dbraw/zinc/68/70/43/598687043.db2.gz FBPLZHVSGZEFOB-GOSISDBHSA-N -1 3 393.432 2.183 20 30 GEEDHM N#Cc1ccc(NCCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)nc1 ZINC000737718438 598771442 /nfs/dbraw/zinc/77/14/42/598771442.db2.gz JJBPNPXDTSMHMG-UHFFFAOYSA-N -1 3 393.361 2.484 20 30 GEEDHM N#Cc1ccc(NCCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)nc1 ZINC000737718438 598771443 /nfs/dbraw/zinc/77/14/43/598771443.db2.gz JJBPNPXDTSMHMG-UHFFFAOYSA-N -1 3 393.361 2.484 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])cnc1NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822823612 599311919 /nfs/dbraw/zinc/31/19/19/599311919.db2.gz UKQPINGEGLDPOQ-UHFFFAOYSA-N -1 3 382.409 2.387 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])cnc1NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822823612 599311922 /nfs/dbraw/zinc/31/19/22/599311922.db2.gz UKQPINGEGLDPOQ-UHFFFAOYSA-N -1 3 382.409 2.387 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820445169 599324578 /nfs/dbraw/zinc/32/45/78/599324578.db2.gz ODYQFHYAOCFNNW-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820445169 599324580 /nfs/dbraw/zinc/32/45/80/599324580.db2.gz ODYQFHYAOCFNNW-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccc(F)c1C#N ZINC000819745420 599339638 /nfs/dbraw/zinc/33/96/38/599339638.db2.gz CAAVPRHMNQFJHE-UHFFFAOYSA-N -1 3 398.423 2.254 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccc(F)c1C#N ZINC000819745420 599339640 /nfs/dbraw/zinc/33/96/40/599339640.db2.gz CAAVPRHMNQFJHE-UHFFFAOYSA-N -1 3 398.423 2.254 20 30 GEEDHM N#Cc1cc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)nc2ccccc12 ZINC000737704479 599400569 /nfs/dbraw/zinc/40/05/69/599400569.db2.gz JCWANKIFNORDDL-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)nc2ccccc12 ZINC000737704479 599400571 /nfs/dbraw/zinc/40/05/71/599400571.db2.gz JCWANKIFNORDDL-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1cccc(C#N)c1 ZINC000826117684 607381056 /nfs/dbraw/zinc/38/10/56/607381056.db2.gz PMMCTTFENPGTAW-INIZCTEOSA-N -1 3 377.360 2.118 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1cccc(C#N)c1 ZINC000826117684 607381058 /nfs/dbraw/zinc/38/10/58/607381058.db2.gz PMMCTTFENPGTAW-INIZCTEOSA-N -1 3 377.360 2.118 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccc(C#N)cc1 ZINC000826116628 607381123 /nfs/dbraw/zinc/38/11/23/607381123.db2.gz CHSHUJGQSFOOJK-INIZCTEOSA-N -1 3 377.360 2.118 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccc(C#N)cc1 ZINC000826116628 607381124 /nfs/dbraw/zinc/38/11/24/607381124.db2.gz CHSHUJGQSFOOJK-INIZCTEOSA-N -1 3 377.360 2.118 20 30 GEEDHM C#CCN(CC#CC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000819697587 599581884 /nfs/dbraw/zinc/58/18/84/599581884.db2.gz IIHTWJVYYBFLPT-UHFFFAOYSA-N -1 3 396.520 2.484 20 30 GEEDHM C=CCNC(=O)COC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735431561 599606166 /nfs/dbraw/zinc/60/61/66/599606166.db2.gz DUIYQQJUJNGSLY-UHFFFAOYSA-N -1 3 378.392 2.069 20 30 GEEDHM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000819933661 599631695 /nfs/dbraw/zinc/63/16/95/599631695.db2.gz YZCAWKOFQGGFMG-FZMZJTMJSA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000819933661 599631696 /nfs/dbraw/zinc/63/16/96/599631696.db2.gz YZCAWKOFQGGFMG-FZMZJTMJSA-N -1 3 397.439 2.370 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000826251441 607386749 /nfs/dbraw/zinc/38/67/49/607386749.db2.gz PVOSHPVPGQDXOU-ZDUSSCGKSA-N -1 3 382.424 2.063 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000826251441 607386751 /nfs/dbraw/zinc/38/67/51/607386751.db2.gz PVOSHPVPGQDXOU-ZDUSSCGKSA-N -1 3 382.424 2.063 20 30 GEEDHM C=CCOCCCC(=O)O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819759286 599668740 /nfs/dbraw/zinc/66/87/40/599668740.db2.gz SCZCICRDFLBOOE-LLVKDONJSA-N -1 3 393.831 2.373 20 30 GEEDHM C=CCOCCCC(=O)O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819759286 599668741 /nfs/dbraw/zinc/66/87/41/599668741.db2.gz SCZCICRDFLBOOE-LLVKDONJSA-N -1 3 393.831 2.373 20 30 GEEDHM Cc1oc(NC(=O)COC(=O)c2ccc(C#N)cc2C)c(-c2nnn[n-]2)c1C ZINC000826257166 607388930 /nfs/dbraw/zinc/38/89/30/607388930.db2.gz QMGKLYCPZVCQLB-UHFFFAOYSA-N -1 3 380.364 2.052 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@H](C)Oc1ccccc1C#N ZINC000821736762 607413148 /nfs/dbraw/zinc/41/31/48/607413148.db2.gz NRVHPYCCHBGMSW-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@H](C)Oc1ccccc1C#N ZINC000821736762 607413151 /nfs/dbraw/zinc/41/31/51/607413151.db2.gz NRVHPYCCHBGMSW-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000739066190 600512510 /nfs/dbraw/zinc/51/25/10/600512510.db2.gz GYMAJJIZJHVBBY-JKSUJKDBSA-N -1 3 394.431 2.179 20 30 GEEDHM N#Cc1ccc(CNC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000822825621 607453092 /nfs/dbraw/zinc/45/30/92/607453092.db2.gz JAGVGTZMVGQALR-UHFFFAOYSA-N -1 3 389.419 2.164 20 30 GEEDHM N#Cc1ccc(CNC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000822825621 607453094 /nfs/dbraw/zinc/45/30/94/607453094.db2.gz JAGVGTZMVGQALR-UHFFFAOYSA-N -1 3 389.419 2.164 20 30 GEEDHM CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821937450 607459686 /nfs/dbraw/zinc/45/96/86/607459686.db2.gz MVRLTMWMVYKJIV-FPLPWBNLSA-N -1 3 387.396 2.273 20 30 GEEDHM CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821937450 607459688 /nfs/dbraw/zinc/45/96/88/607459688.db2.gz MVRLTMWMVYKJIV-FPLPWBNLSA-N -1 3 387.396 2.273 20 30 GEEDHM CN(C)c1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821589579 607465067 /nfs/dbraw/zinc/46/50/67/607465067.db2.gz UMNXHMLNRJEHCG-UHFFFAOYSA-N -1 3 384.444 2.392 20 30 GEEDHM CN(C)c1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821589579 607465068 /nfs/dbraw/zinc/46/50/68/607465068.db2.gz UMNXHMLNRJEHCG-UHFFFAOYSA-N -1 3 384.444 2.392 20 30 GEEDHM N#Cc1cccc(-c2nnc(CONC(=N)COc3cccc(C(=O)[O-])c3)o2)c1 ZINC000833074311 601352577 /nfs/dbraw/zinc/35/25/77/601352577.db2.gz UVUHPQZBWSYXPJ-UHFFFAOYSA-N -1 3 393.359 2.384 20 30 GEEDHM COc1ccc(C#N)cc1CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826186821 607525413 /nfs/dbraw/zinc/52/54/13/607525413.db2.gz LZXPHUGTYQDHTF-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cccc(Cl)c1C#N ZINC000826176540 607577242 /nfs/dbraw/zinc/57/72/42/607577242.db2.gz TZQVMBZGDYQGPH-UHFFFAOYSA-N -1 3 391.796 2.168 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cccc(Cl)c1C#N ZINC000826176540 607577243 /nfs/dbraw/zinc/57/72/43/607577243.db2.gz TZQVMBZGDYQGPH-UHFFFAOYSA-N -1 3 391.796 2.168 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000824640466 607586399 /nfs/dbraw/zinc/58/63/99/607586399.db2.gz JEZBIAFFRWMQHO-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM COc1ccc(C=Nn2c(C)csc2=NCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000826190507 607634554 /nfs/dbraw/zinc/63/45/54/607634554.db2.gz DLEAZTXZAMUVAX-UHFFFAOYSA-N -1 3 397.386 2.392 20 30 GEEDHM COc1ccc(C=Nn2c(C)csc2=NCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000826190507 607634556 /nfs/dbraw/zinc/63/45/56/607634556.db2.gz DLEAZTXZAMUVAX-UHFFFAOYSA-N -1 3 397.386 2.392 20 30 GEEDHM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000827015366 604512889 /nfs/dbraw/zinc/51/28/89/604512889.db2.gz CFSCBABVOWVJLK-PBHICJAKSA-N -1 3 382.420 2.034 20 30 GEEDHM C#Cc1ccc(C(=O)Nc2ccc(NC(=O)OCC)c(-c3nnn[n-]3)c2)cn1 ZINC000823861405 607760728 /nfs/dbraw/zinc/76/07/28/607760728.db2.gz HFZUTHWBSHEPLW-UHFFFAOYSA-N -1 3 377.364 2.064 20 30 GEEDHM C#Cc1ccc(C(=O)Nc2ccc(NC(=O)OCC)c(-c3nn[n-]n3)c2)cn1 ZINC000823861405 607760729 /nfs/dbraw/zinc/76/07/29/607760729.db2.gz HFZUTHWBSHEPLW-UHFFFAOYSA-N -1 3 377.364 2.064 20 30 GEEDHM C=CCN1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000833377269 605925161 /nfs/dbraw/zinc/92/51/61/605925161.db2.gz UEPCCEDKPORIBO-UHFFFAOYSA-N -1 3 399.369 2.109 20 30 GEEDHM COCCN(CCC#N)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000821688956 606280909 /nfs/dbraw/zinc/28/09/09/606280909.db2.gz FJDFBMIMWIBGPP-UHFFFAOYSA-N -1 3 393.407 2.056 20 30 GEEDHM COCCN(CCC#N)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000821688956 606280910 /nfs/dbraw/zinc/28/09/10/606280910.db2.gz FJDFBMIMWIBGPP-UHFFFAOYSA-N -1 3 393.407 2.056 20 30 GEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000822631711 606287595 /nfs/dbraw/zinc/28/75/95/606287595.db2.gz FTNZZVCTMCNWRJ-LBPRGKRZSA-N -1 3 375.314 2.219 20 30 GEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000822631711 606287597 /nfs/dbraw/zinc/28/75/97/606287597.db2.gz FTNZZVCTMCNWRJ-LBPRGKRZSA-N -1 3 375.314 2.219 20 30 GEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000822631752 606287624 /nfs/dbraw/zinc/28/76/24/606287624.db2.gz HFXYESBAMOMSCQ-GFCCVEGCSA-N -1 3 391.313 2.098 20 30 GEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000822631752 606287626 /nfs/dbraw/zinc/28/76/26/606287626.db2.gz HFXYESBAMOMSCQ-GFCCVEGCSA-N -1 3 391.313 2.098 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000822818853 606311455 /nfs/dbraw/zinc/31/14/55/606311455.db2.gz ICOFACZDIRFXNO-UHFFFAOYSA-N -1 3 395.364 2.057 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000822818853 606311457 /nfs/dbraw/zinc/31/14/57/606311457.db2.gz ICOFACZDIRFXNO-UHFFFAOYSA-N -1 3 395.364 2.057 20 30 GEEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821169806 606341133 /nfs/dbraw/zinc/34/11/33/606341133.db2.gz DXBAYNRWBVMQBZ-VIFPVBQESA-N -1 3 388.375 2.056 20 30 GEEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821169806 606341135 /nfs/dbraw/zinc/34/11/35/606341135.db2.gz DXBAYNRWBVMQBZ-VIFPVBQESA-N -1 3 388.375 2.056 20 30 GEEDHM COC(=O)[C@H](OC(=O)CCc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821647199 606368543 /nfs/dbraw/zinc/36/85/43/606368543.db2.gz VOPPYLMSPGEMBS-GOSISDBHSA-N -1 3 391.387 2.128 20 30 GEEDHM COC(=O)[C@H](OC(=O)CCc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821647199 606368544 /nfs/dbraw/zinc/36/85/44/606368544.db2.gz VOPPYLMSPGEMBS-GOSISDBHSA-N -1 3 391.387 2.128 20 30 GEEDHM COc1ccc(CC2N=NC(=S)N2N=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821824565 606369181 /nfs/dbraw/zinc/36/91/81/606369181.db2.gz NLUAIGGMAZWNHW-UHFFFAOYSA-N -1 3 398.477 2.290 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1cccc(CC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648127 606371902 /nfs/dbraw/zinc/37/19/02/606371902.db2.gz BLERRPVRPYRCMT-INIZCTEOSA-N -1 3 377.360 2.004 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1cccc(CC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648127 606371904 /nfs/dbraw/zinc/37/19/04/606371904.db2.gz BLERRPVRPYRCMT-INIZCTEOSA-N -1 3 377.360 2.004 20 30 GEEDHM CN(C)S(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821588107 606388428 /nfs/dbraw/zinc/38/84/28/606388428.db2.gz BCBALLKHFUWMTL-WEVVVXLNSA-N -1 3 389.462 2.075 20 30 GEEDHM Cc1cc(C)c2ncc(C#N)c(NCCNc3ncccc3-c3nnn[n-]3)c2c1 ZINC000822196448 606460961 /nfs/dbraw/zinc/46/09/61/606460961.db2.gz JUULMZYXLMBEPF-UHFFFAOYSA-N -1 3 385.435 2.244 20 30 GEEDHM Cc1cc(C)c2ncc(C#N)c(NCCNc3ncccc3-c3nn[n-]n3)c2c1 ZINC000822196448 606460963 /nfs/dbraw/zinc/46/09/63/606460963.db2.gz JUULMZYXLMBEPF-UHFFFAOYSA-N -1 3 385.435 2.244 20 30 GEEDHM C=CCNC(=O)Nc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819750565 606521177 /nfs/dbraw/zinc/52/11/77/606521177.db2.gz FVBMYPBSEVONLA-UHFFFAOYSA-N -1 3 377.408 2.355 20 30 GEEDHM C=CCNC(=O)Nc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819750565 606521179 /nfs/dbraw/zinc/52/11/79/606521179.db2.gz FVBMYPBSEVONLA-UHFFFAOYSA-N -1 3 377.408 2.355 20 30 GEEDHM N#Cc1cccc(CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000822837696 606552291 /nfs/dbraw/zinc/55/22/91/606552291.db2.gz SHHHOGLHVJEWBD-UHFFFAOYSA-N -1 3 388.431 2.351 20 30 GEEDHM N#Cc1cccc(CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000822837696 606552293 /nfs/dbraw/zinc/55/22/93/606552293.db2.gz SHHHOGLHVJEWBD-UHFFFAOYSA-N -1 3 388.431 2.351 20 30 GEEDHM COC(=O)c1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c[nH]1 ZINC000821666941 606601034 /nfs/dbraw/zinc/60/10/34/606601034.db2.gz NDBURUDZBIZCIX-UHFFFAOYSA-N -1 3 379.302 2.446 20 30 GEEDHM COC(=O)c1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c[nH]1 ZINC000821666941 606601036 /nfs/dbraw/zinc/60/10/36/606601036.db2.gz NDBURUDZBIZCIX-UHFFFAOYSA-N -1 3 379.302 2.446 20 30 GEEDHM N#CCCN(CCC(=O)Nc1sccc1-c1nnn[n-]1)Cc1ccccn1 ZINC000822811115 606617059 /nfs/dbraw/zinc/61/70/59/606617059.db2.gz SNDGWMOSZAAIHN-UHFFFAOYSA-N -1 3 382.453 2.068 20 30 GEEDHM N#CCCN(CCC(=O)Nc1sccc1-c1nn[n-]n1)Cc1ccccn1 ZINC000822811115 606617061 /nfs/dbraw/zinc/61/70/61/606617061.db2.gz SNDGWMOSZAAIHN-UHFFFAOYSA-N -1 3 382.453 2.068 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OCc1ccnc(C#N)c1 ZINC000821701146 606652784 /nfs/dbraw/zinc/65/27/84/606652784.db2.gz CXZLOUCXNKVVFA-UHFFFAOYSA-N -1 3 394.391 2.044 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OCc1ccnc(C#N)c1 ZINC000821701146 606652785 /nfs/dbraw/zinc/65/27/85/606652785.db2.gz CXZLOUCXNKVVFA-UHFFFAOYSA-N -1 3 394.391 2.044 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000822136604 606791221 /nfs/dbraw/zinc/79/12/21/606791221.db2.gz MRCZFDXEAIQAQC-KRWDZBQOSA-N -1 3 390.403 2.332 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000822136604 606791223 /nfs/dbraw/zinc/79/12/23/606791223.db2.gz MRCZFDXEAIQAQC-KRWDZBQOSA-N -1 3 390.403 2.332 20 30 GEEDHM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822826443 606793422 /nfs/dbraw/zinc/79/34/22/606793422.db2.gz YUCOBCHOJSMGGX-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)c(F)c1 ZINC000822833666 606793543 /nfs/dbraw/zinc/79/35/43/606793543.db2.gz UUKNVALZOCGMGG-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)c(F)c1 ZINC000822833666 606793545 /nfs/dbraw/zinc/79/35/45/606793545.db2.gz UUKNVALZOCGMGG-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1cc(Cl)ccc1C#N ZINC000822223674 606793749 /nfs/dbraw/zinc/79/37/49/606793749.db2.gz GLDMSELDLOTLOJ-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1cc(Cl)ccc1C#N ZINC000822223674 606793751 /nfs/dbraw/zinc/79/37/51/606793751.db2.gz GLDMSELDLOTLOJ-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM N#Cc1cc(F)c(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)c(F)c1 ZINC000822822931 606793795 /nfs/dbraw/zinc/79/37/95/606793795.db2.gz IIUQDJHHZAUJSW-UHFFFAOYSA-N -1 3 397.750 2.438 20 30 GEEDHM N#Cc1cc(F)c(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)c(F)c1 ZINC000822822931 606793798 /nfs/dbraw/zinc/79/37/98/606793798.db2.gz IIUQDJHHZAUJSW-UHFFFAOYSA-N -1 3 397.750 2.438 20 30 GEEDHM C#CCOCCOC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000819701310 606822822 /nfs/dbraw/zinc/82/28/22/606822822.db2.gz BYZGMFPYLJBBKH-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM C#CCOCCOC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000819701310 606822824 /nfs/dbraw/zinc/82/28/24/606822824.db2.gz BYZGMFPYLJBBKH-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM O=C(NC1CC1)c1cc(F)c(N=NCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000823146609 606839764 /nfs/dbraw/zinc/83/97/64/606839764.db2.gz XGOORDSRJSXSCU-UHFFFAOYSA-N -1 3 383.362 2.483 20 30 GEEDHM O=C(NC1CC1)c1cc(F)c(N=NCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000823146609 606839766 /nfs/dbraw/zinc/83/97/66/606839766.db2.gz XGOORDSRJSXSCU-UHFFFAOYSA-N -1 3 383.362 2.483 20 30 GEEDHM C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000819743503 606841266 /nfs/dbraw/zinc/84/12/66/606841266.db2.gz KSCIWBIXLUKXAG-UHFFFAOYSA-N -1 3 387.440 2.425 20 30 GEEDHM N#CCOc1ccc(CC(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822814347 606948490 /nfs/dbraw/zinc/94/84/90/606948490.db2.gz FGBXXJCRKQMFNV-UHFFFAOYSA-N -1 3 393.403 2.324 20 30 GEEDHM N#CCOc1ccc(CC(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822814347 606948491 /nfs/dbraw/zinc/94/84/91/606948491.db2.gz FGBXXJCRKQMFNV-UHFFFAOYSA-N -1 3 393.403 2.324 20 30 GEEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000820005595 607022596 /nfs/dbraw/zinc/02/25/96/607022596.db2.gz TVEBSKFYTDXKAB-UHFFFAOYSA-N -1 3 380.383 2.351 20 30 GEEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000820005595 607022598 /nfs/dbraw/zinc/02/25/98/607022598.db2.gz TVEBSKFYTDXKAB-UHFFFAOYSA-N -1 3 380.383 2.351 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000822846170 607059477 /nfs/dbraw/zinc/05/94/77/607059477.db2.gz QCNQERZWNVUWCM-UHFFFAOYSA-N -1 3 394.414 2.065 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000822846170 607059479 /nfs/dbraw/zinc/05/94/79/607059479.db2.gz QCNQERZWNVUWCM-UHFFFAOYSA-N -1 3 394.414 2.065 20 30 GEEDHM Cc1nc2sccc2c(=O)n1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000822466974 607147160 /nfs/dbraw/zinc/14/71/60/607147160.db2.gz GKHRYMGIJKTYQS-UHFFFAOYSA-N -1 3 376.405 2.310 20 30 GEEDHM Cc1nc2sccc2c(=O)n1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000822466974 607147162 /nfs/dbraw/zinc/14/71/62/607147162.db2.gz GKHRYMGIJKTYQS-UHFFFAOYSA-N -1 3 376.405 2.310 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(C#N)c1 ZINC000820315473 607183047 /nfs/dbraw/zinc/18/30/47/607183047.db2.gz NYEOUZUXKYJFJQ-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(C#N)c1 ZINC000820315473 607183048 /nfs/dbraw/zinc/18/30/48/607183048.db2.gz NYEOUZUXKYJFJQ-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM N#Cc1cccc(C=CC(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1 ZINC000822837635 607188503 /nfs/dbraw/zinc/18/85/03/607188503.db2.gz PWFZGMUUWWIURF-BQYQJAHWSA-N -1 3 396.414 2.458 20 30 GEEDHM N#Cc1cccc(C=CC(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1 ZINC000822837635 607188504 /nfs/dbraw/zinc/18/85/04/607188504.db2.gz PWFZGMUUWWIURF-BQYQJAHWSA-N -1 3 396.414 2.458 20 30 GEEDHM C=CCc1cc(OC)ccc1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823937469 607872248 /nfs/dbraw/zinc/87/22/48/607872248.db2.gz YZECLWBOVGUXPG-MRXNPFEDSA-N -1 3 382.420 2.423 20 30 GEEDHM C#CCOc1ccc(F)cc1NCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000823856109 607880327 /nfs/dbraw/zinc/88/03/27/607880327.db2.gz JLVDLOQTBLQHMY-UHFFFAOYSA-N -1 3 381.367 2.417 20 30 GEEDHM C#CCOc1ccc(F)cc1NCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000823856109 607880328 /nfs/dbraw/zinc/88/03/28/607880328.db2.gz JLVDLOQTBLQHMY-UHFFFAOYSA-N -1 3 381.367 2.417 20 30 GEEDHM COc1ccc(NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)cc1OC ZINC000826209905 607882915 /nfs/dbraw/zinc/88/29/15/607882915.db2.gz WBVWWINMSGTUSA-UHFFFAOYSA-N -1 3 383.437 2.204 20 30 GEEDHM COc1ccc(NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)cc1OC ZINC000826209905 607882916 /nfs/dbraw/zinc/88/29/16/607882916.db2.gz WBVWWINMSGTUSA-UHFFFAOYSA-N -1 3 383.437 2.204 20 30 GEEDHM CC(C)c1nn(C)c(N2CCOCC2)c1C=[NH+][N-]c1cccc(-c2nnn[n-]2)c1 ZINC000824364681 607885945 /nfs/dbraw/zinc/88/59/45/607885945.db2.gz PWQCAKITMHUKCA-UHFFFAOYSA-N -1 3 395.471 2.006 20 30 GEEDHM CC(C)c1nn(C)c(N2CCOCC2)c1C=[NH+][N-]c1cccc(-c2nn[n-]n2)c1 ZINC000824364681 607885946 /nfs/dbraw/zinc/88/59/46/607885946.db2.gz PWQCAKITMHUKCA-UHFFFAOYSA-N -1 3 395.471 2.006 20 30 GEEDHM NC(=O)c1cccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000826393192 607888588 /nfs/dbraw/zinc/88/85/88/607888588.db2.gz GWFTZWWKFZVTTP-UHFFFAOYSA-N -1 3 375.314 2.430 20 30 GEEDHM NC(=O)c1cccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000826393192 607888589 /nfs/dbraw/zinc/88/85/89/607888589.db2.gz GWFTZWWKFZVTTP-UHFFFAOYSA-N -1 3 375.314 2.430 20 30 GEEDHM C=C(C)[C@@H](CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)OCC ZINC000823873262 607920029 /nfs/dbraw/zinc/92/00/29/607920029.db2.gz KJMZOSXQJYJXSE-CQSZACIVSA-N -1 3 384.396 2.331 20 30 GEEDHM C=C(C)[C@@H](CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)OCC ZINC000823873262 607920030 /nfs/dbraw/zinc/92/00/30/607920030.db2.gz KJMZOSXQJYJXSE-CQSZACIVSA-N -1 3 384.396 2.331 20 30 GEEDHM C=CCCOCCNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823899091 607943811 /nfs/dbraw/zinc/94/38/11/607943811.db2.gz KZFYIEQBKPGEOD-UHFFFAOYSA-N -1 3 383.408 2.361 20 30 GEEDHM C=CCCOCCNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823899091 607943812 /nfs/dbraw/zinc/94/38/12/607943812.db2.gz KZFYIEQBKPGEOD-UHFFFAOYSA-N -1 3 383.408 2.361 20 30 GEEDHM C#CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000823837533 607944390 /nfs/dbraw/zinc/94/43/90/607944390.db2.gz DTRHZGWOQAQWOK-MRXNPFEDSA-N -1 3 394.822 2.339 20 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608002026 /nfs/dbraw/zinc/00/20/26/608002026.db2.gz CTEIEPCZCFQUOP-LLVKDONJSA-N -1 3 386.412 2.058 20 30 GEEDHM C[C@@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1 ZINC000824632738 608002027 /nfs/dbraw/zinc/00/20/27/608002027.db2.gz CTEIEPCZCFQUOP-LLVKDONJSA-N -1 3 386.412 2.058 20 30 GEEDHM CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)c(-c2nnn[n-]2)c1CC ZINC000825768090 608051830 /nfs/dbraw/zinc/05/18/30/608051830.db2.gz ZFIFBLPOMPSNAF-QGZVFWFLSA-N -1 3 390.451 2.231 20 30 GEEDHM CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)c(-c2nn[n-]n2)c1CC ZINC000825768090 608051831 /nfs/dbraw/zinc/05/18/31/608051831.db2.gz ZFIFBLPOMPSNAF-QGZVFWFLSA-N -1 3 390.451 2.231 20 30 GEEDHM CCc1nnc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(C#N)c1CC ZINC000825767855 608052018 /nfs/dbraw/zinc/05/20/18/608052018.db2.gz RMJFLEIWQHQKGM-GOSISDBHSA-N -1 3 390.451 2.231 20 30 GEEDHM CCc1nnc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(C#N)c1CC ZINC000825767855 608052019 /nfs/dbraw/zinc/05/20/19/608052019.db2.gz RMJFLEIWQHQKGM-GOSISDBHSA-N -1 3 390.451 2.231 20 30 GEEDHM C[C@@H]1CC(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)=NO1 ZINC000824893308 608207951 /nfs/dbraw/zinc/20/79/51/608207951.db2.gz QAKXDPYJRSPKFA-GFCCVEGCSA-N -1 3 378.392 2.298 20 30 GEEDHM Cc1cc(C#N)cc(C)c1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826256556 608336202 /nfs/dbraw/zinc/33/62/02/608336202.db2.gz PHGVWDAJDKYRFD-UHFFFAOYSA-N -1 3 387.396 2.403 20 30 GEEDHM Cc1cc(C#N)cc(C)c1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826256556 608336203 /nfs/dbraw/zinc/33/62/03/608336203.db2.gz PHGVWDAJDKYRFD-UHFFFAOYSA-N -1 3 387.396 2.403 20 30 GEEDHM C=CC[C@H](CO)CNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000823888826 608408643 /nfs/dbraw/zinc/40/86/43/608408643.db2.gz XXESFEIDYIFMDZ-ZDUSSCGKSA-N -1 3 399.480 2.220 20 30 GEEDHM C=CC[C@H](CO)CNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823888826 608408645 /nfs/dbraw/zinc/40/86/45/608408645.db2.gz XXESFEIDYIFMDZ-ZDUSSCGKSA-N -1 3 399.480 2.220 20 30 GEEDHM CC(C)[C@@](C)(C#N)NC(=O)CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824184863 608462958 /nfs/dbraw/zinc/46/29/58/608462958.db2.gz MTINRQDMSAYBEC-HXUWFJFHSA-N -1 3 379.468 2.010 20 30 GEEDHM CC(C)[C@@](C)(C#N)NC(=O)CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824184863 608462959 /nfs/dbraw/zinc/46/29/59/608462959.db2.gz MTINRQDMSAYBEC-HXUWFJFHSA-N -1 3 379.468 2.010 20 30 GEEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824040479 608465257 /nfs/dbraw/zinc/46/52/57/608465257.db2.gz QNTYWORCEVAWIO-QVKFZJNVSA-N -1 3 393.495 2.399 20 30 GEEDHM N#Cc1ccccc1OCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826386982 608484024 /nfs/dbraw/zinc/48/40/24/608484024.db2.gz ARKMYFYGBDALRR-UHFFFAOYSA-N -1 3 386.415 2.433 20 30 GEEDHM N#Cc1ccccc1OCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826386982 608484025 /nfs/dbraw/zinc/48/40/25/608484025.db2.gz ARKMYFYGBDALRR-UHFFFAOYSA-N -1 3 386.415 2.433 20 30 GEEDHM Cc1cc(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)nn1CCC#N ZINC000826270166 608491391 /nfs/dbraw/zinc/49/13/91/608491391.db2.gz NZVOWQLPQKSDLA-UHFFFAOYSA-N -1 3 382.432 2.486 20 30 GEEDHM Cc1cc(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)nn1CCC#N ZINC000826270166 608491392 /nfs/dbraw/zinc/49/13/92/608491392.db2.gz NZVOWQLPQKSDLA-UHFFFAOYSA-N -1 3 382.432 2.486 20 30 GEEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCOc3cc4c(cc32)OCO4)n1 ZINC000826350354 608534604 /nfs/dbraw/zinc/53/46/04/608534604.db2.gz SAFFFAHEVVDKLH-UHFFFAOYSA-N -1 3 385.771 2.243 20 30 GEEDHM COc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc(OC)c1OC ZINC000826178963 608539176 /nfs/dbraw/zinc/53/91/76/608539176.db2.gz SGPCUEOYVDZAPB-UHFFFAOYSA-N -1 3 389.803 2.387 20 30 GEEDHM COc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc(OC)c1OC ZINC000826178963 608539178 /nfs/dbraw/zinc/53/91/78/608539178.db2.gz SGPCUEOYVDZAPB-UHFFFAOYSA-N -1 3 389.803 2.387 20 30 GEEDHM N#Cc1ccc(OC2CCC(NC(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)nc1 ZINC000826386154 608560641 /nfs/dbraw/zinc/56/06/41/608560641.db2.gz RBNONRKRWGOLQJ-UHFFFAOYSA-N -1 3 389.419 2.253 20 30 GEEDHM N#Cc1ccc(OC2CCC(NC(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000826386154 608560642 /nfs/dbraw/zinc/56/06/42/608560642.db2.gz RBNONRKRWGOLQJ-UHFFFAOYSA-N -1 3 389.419 2.253 20 30 GEEDHM COCCN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccc(C#N)cc1 ZINC000826159016 608566818 /nfs/dbraw/zinc/56/68/18/608566818.db2.gz MXUIFDXYQOMNCW-UHFFFAOYSA-N -1 3 388.435 2.035 20 30 GEEDHM COCCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1ccc(C#N)cc1 ZINC000826159016 608566820 /nfs/dbraw/zinc/56/68/20/608566820.db2.gz MXUIFDXYQOMNCW-UHFFFAOYSA-N -1 3 388.435 2.035 20 30 GEEDHM COCCN(Cc1cnc2ccc(C#N)cn12)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826159109 608567423 /nfs/dbraw/zinc/56/74/23/608567423.db2.gz QWKASIAPMPCHOH-UHFFFAOYSA-N -1 3 388.435 2.035 20 30 GEEDHM C#CCCCCNC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823842200 608617307 /nfs/dbraw/zinc/61/73/07/608617307.db2.gz YXGVKSLXMLFOHB-UHFFFAOYSA-N -1 3 383.456 2.054 20 30 GEEDHM C#CCCCCNC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823842200 608617308 /nfs/dbraw/zinc/61/73/08/608617308.db2.gz YXGVKSLXMLFOHB-UHFFFAOYSA-N -1 3 383.456 2.054 20 30 GEEDHM Cc1c(C)n(C2CCCC2)c(NC(=O)Cn2ccnc2C#N)c1-c1nnn[n-]1 ZINC000826233514 608894921 /nfs/dbraw/zinc/89/49/21/608894921.db2.gz KRKPKWJXDDXOMS-UHFFFAOYSA-N -1 3 379.428 2.107 20 30 GEEDHM Cc1c(C)n(C2CCCC2)c(NC(=O)Cn2ccnc2C#N)c1-c1nn[n-]n1 ZINC000826233514 608894922 /nfs/dbraw/zinc/89/49/22/608894922.db2.gz KRKPKWJXDDXOMS-UHFFFAOYSA-N -1 3 379.428 2.107 20 30 GEEDHM COc1ccc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC000826200338 609164785 /nfs/dbraw/zinc/16/47/85/609164785.db2.gz KVYFRDSWBUKESB-LBPRGKRZSA-N -1 3 393.407 2.488 20 30 GEEDHM COc1ccc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC000826200338 609164787 /nfs/dbraw/zinc/16/47/87/609164787.db2.gz KVYFRDSWBUKESB-LBPRGKRZSA-N -1 3 393.407 2.488 20 30 GEEDHM CCNc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000825476542 609178717 /nfs/dbraw/zinc/17/87/17/609178717.db2.gz NAXFDIILHLMHHD-AWEZNQCLSA-N -1 3 394.464 2.449 20 30 GEEDHM C[C@H](OC(=O)Cc1ccccc1CC#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824714628 609243345 /nfs/dbraw/zinc/24/33/45/609243345.db2.gz OSKROBJHJYFTNC-ZDUSSCGKSA-N -1 3 390.403 2.046 20 30 GEEDHM C[C@H](OC(=O)Cc1ccccc1CC#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824714628 609243346 /nfs/dbraw/zinc/24/33/46/609243346.db2.gz OSKROBJHJYFTNC-ZDUSSCGKSA-N -1 3 390.403 2.046 20 30 GEEDHM N#Cc1ccc([C@H](O)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826385018 609258840 /nfs/dbraw/zinc/25/88/40/609258840.db2.gz UCMVEXWTJNKXTK-IBGZPJMESA-N -1 3 386.415 2.088 20 30 GEEDHM N#Cc1ccc([C@H](O)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385018 609258842 /nfs/dbraw/zinc/25/88/42/609258842.db2.gz UCMVEXWTJNKXTK-IBGZPJMESA-N -1 3 386.415 2.088 20 30 GEEDHM O=C1NCCCN1N=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826483018 609308375 /nfs/dbraw/zinc/30/83/75/609308375.db2.gz YETZOQFDNFDTIE-UHFFFAOYSA-N -1 3 377.408 2.195 20 30 GEEDHM O=C1NCCCN1N=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826483018 609308377 /nfs/dbraw/zinc/30/83/77/609308377.db2.gz YETZOQFDNFDTIE-UHFFFAOYSA-N -1 3 377.408 2.195 20 30 GEEDHM C=CCN(CC=C)C(=O)CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823903575 609444802 /nfs/dbraw/zinc/44/48/02/609444802.db2.gz DFZFWPMBRRWEAZ-UHFFFAOYSA-N -1 3 398.858 2.318 20 30 GEEDHM C=CCN(CC=C)C(=O)CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823903575 609444805 /nfs/dbraw/zinc/44/48/05/609444805.db2.gz DFZFWPMBRRWEAZ-UHFFFAOYSA-N -1 3 398.858 2.318 20 30 GEEDHM N#Cc1ccccc1N1CCCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000826387043 609461852 /nfs/dbraw/zinc/46/18/52/609461852.db2.gz DBHJLRDDCZSPFI-UHFFFAOYSA-N -1 3 385.435 2.103 20 30 GEEDHM N#Cc1ccccc1N1CCCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000826387043 609461854 /nfs/dbraw/zinc/46/18/54/609461854.db2.gz DBHJLRDDCZSPFI-UHFFFAOYSA-N -1 3 385.435 2.103 20 30 GEEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc(C#N)c1 ZINC000826161783 609496772 /nfs/dbraw/zinc/49/67/72/609496772.db2.gz ZOHHMSINMLFYGT-UHFFFAOYSA-N -1 3 379.380 2.408 20 30 GEEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cccc(C#N)c1 ZINC000826161783 609496775 /nfs/dbraw/zinc/49/67/75/609496775.db2.gz ZOHHMSINMLFYGT-UHFFFAOYSA-N -1 3 379.380 2.408 20 30 GEEDHM CC(=NN[C@H]1CCO[C@@H](C)C1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823953599 609519087 /nfs/dbraw/zinc/51/90/87/609519087.db2.gz IOIWHESEZIUAOV-LRDDRELGSA-N -1 3 380.456 2.242 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(C#N)cc1 ZINC000824640759 609537826 /nfs/dbraw/zinc/53/78/26/609537826.db2.gz NYAGUJQYAFCTFA-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(C#N)cc1 ZINC000824640759 609537827 /nfs/dbraw/zinc/53/78/27/609537827.db2.gz NYAGUJQYAFCTFA-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000826279040 609557862 /nfs/dbraw/zinc/55/78/62/609557862.db2.gz CVCSICXZZUVHRR-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000826279040 609557864 /nfs/dbraw/zinc/55/78/64/609557864.db2.gz CVCSICXZZUVHRR-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823894082 609619742 /nfs/dbraw/zinc/61/97/42/609619742.db2.gz HBHGBORSCWFHBB-RHSMWYFYSA-N -1 3 397.483 2.406 20 30 GEEDHM C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823894082 609619743 /nfs/dbraw/zinc/61/97/43/609619743.db2.gz HBHGBORSCWFHBB-RHSMWYFYSA-N -1 3 397.483 2.406 20 30 GEEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000824100768 609624753 /nfs/dbraw/zinc/62/47/53/609624753.db2.gz XCXUPHQTHJZXAW-SFHVURJKSA-N -1 3 389.387 2.311 20 30 GEEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000824100768 609624754 /nfs/dbraw/zinc/62/47/54/609624754.db2.gz XCXUPHQTHJZXAW-SFHVURJKSA-N -1 3 389.387 2.311 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000826174856 609624955 /nfs/dbraw/zinc/62/49/55/609624955.db2.gz LJSRMONZOQFKDG-LBPRGKRZSA-N -1 3 394.391 2.184 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000826174856 609624957 /nfs/dbraw/zinc/62/49/57/609624957.db2.gz LJSRMONZOQFKDG-LBPRGKRZSA-N -1 3 394.391 2.184 20 30 GEEDHM N#C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000505125709 650435041 /nfs/dbraw/zinc/43/50/41/650435041.db2.gz VNPFTTBFGIOCOE-LLVKDONJSA-N -1 3 387.845 2.200 20 30 GEEDHM CS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)s1 ZINC000468911738 650507773 /nfs/dbraw/zinc/50/77/73/650507773.db2.gz KWDZXIWVFHDAOO-UHFFFAOYSA-N -1 3 390.895 2.155 20 30 GEEDHM N#CCc1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000534722955 650780288 /nfs/dbraw/zinc/78/02/88/650780288.db2.gz KIRUQBZZRFQGKW-UHFFFAOYSA-N -1 3 383.882 2.176 20 30 GEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC=C)CC(F)(F)F)ccc1F ZINC000066305652 642907365 /nfs/dbraw/zinc/90/73/65/642907365.db2.gz IKRMUXYCVWZXJZ-UHFFFAOYSA-N -1 3 380.363 2.481 20 30 GEEDHM N#Cc1ccc(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c(F)c1 ZINC000105600737 643211072 /nfs/dbraw/zinc/21/10/72/643211072.db2.gz DPCYZLSVQIUXEC-UHFFFAOYSA-N -1 3 387.845 2.007 20 30 GEEDHM N#Cc1ccccc1/C=C\C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000255469953 645581316 /nfs/dbraw/zinc/58/13/16/645581316.db2.gz ZFYKZACQNQZDKP-ALCCZGGFSA-N -1 3 395.893 2.381 20 30 GEEDHM Cc1nc([C@H]([N-]S(=O)(=O)N(C)[C@H](C)CC#N)c2ccc(Cl)cc2)no1 ZINC000282259412 646820656 /nfs/dbraw/zinc/82/06/56/646820656.db2.gz GPZXCWAIWWWHEU-QMTHXVAHSA-N -1 3 383.861 2.189 20 30 GEEDHM CC(C)(C)N1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1=O ZINC000329957242 647326375 /nfs/dbraw/zinc/32/63/75/647326375.db2.gz QBIREORVLVATIQ-VIFPVBQESA-N -1 3 393.918 2.036 20 30 GEEDHM N#CCC1(CS(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000333386891 647470886 /nfs/dbraw/zinc/47/08/86/647470886.db2.gz GIAWRFAVLSAYOK-AWEZNQCLSA-N -1 3 385.848 2.198 20 30 GEEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1OC(F)F ZINC000410172144 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GEEDHM O=C([C@H]1CC[C@H](C(F)(F)F)[N-]C1=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000652752363 651923483 /nfs/dbraw/zinc/92/34/83/651923483.db2.gz PDKKUHKSBUVQRL-JGVFFNPUSA-N -1 3 376.272 2.337 20 30 GEEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1cc(OC)ccc1Br ZINC000577542551 652196215 /nfs/dbraw/zinc/19/62/15/652196215.db2.gz GXADBIWOFDSXSN-AWEZNQCLSA-N -1 3 391.287 2.196 20 30 GEEDHM Cc1nc(C)c(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000751417267 652346385 /nfs/dbraw/zinc/34/63/85/652346385.db2.gz VNVCBJQLZGMOCE-SECBINFHSA-N -1 3 378.479 2.216 20 30 GEEDHM N#CCC1(CS(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000580156311 652367956 /nfs/dbraw/zinc/36/79/56/652367956.db2.gz BARSITFLFREFOC-CQSZACIVSA-N -1 3 381.885 2.449 20 30 GEEDHM Cc1nsc(C)c1-c1noc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000752878041 652395377 /nfs/dbraw/zinc/39/53/77/652395377.db2.gz QOBACIQNYNGOMX-UHFFFAOYSA-N -1 3 375.435 2.049 20 30 GEEDHM C#CCN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C1CCCC1 ZINC000760749006 652622881 /nfs/dbraw/zinc/62/28/81/652622881.db2.gz CAVOCOKDLUSPNK-CYBMUJFWSA-N -1 3 383.901 2.196 20 30 GEEDHM C[C@H]1CC(=NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)NO1 ZINC000763260718 652748600 /nfs/dbraw/zinc/74/86/00/652748600.db2.gz SNHLTWMNRKDTQI-ZETCQYMHSA-N -1 3 392.264 2.286 20 30 GEEDHM O=C(CNC(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)[N-]CC(F)(F)F ZINC000674447954 652898825 /nfs/dbraw/zinc/89/88/25/652898825.db2.gz BBBCVSHXFKKECG-PHDIDXHHSA-N -1 3 389.218 2.047 20 30 GEEDHM C#C[C@H](CCC)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000805343213 653112034 /nfs/dbraw/zinc/11/20/34/653112034.db2.gz KGVHQVXXZJHLNP-LLVKDONJSA-N -1 3 392.308 2.373 20 30 GEEDHM C#C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)C ZINC000805441726 653116734 /nfs/dbraw/zinc/11/67/34/653116734.db2.gz MCOMBVDGQCFXAB-GFCCVEGCSA-N -1 3 392.308 2.229 20 30 GEEDHM COc1cc(C=NNC(=S)NCCSC)cc(Br)c1[O-] ZINC000769604339 653165409 /nfs/dbraw/zinc/16/54/09/653165409.db2.gz IEGPLKPNHHSMHK-UHFFFAOYSA-N -1 3 378.317 2.324 20 30 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COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416365445 532872041 /nfs/dbraw/zinc/87/20/41/532872041.db2.gz AZALWZXBRLSSOH-LBPRGKRZSA-N -1 3 389.271 2.187 20 30 GEEDHM CC1(C)C[C@@]1(C#N)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000292421307 532916349 /nfs/dbraw/zinc/91/63/49/532916349.db2.gz HYUUWKCNHUIUJK-HNNXBMFYSA-N -1 3 390.292 2.470 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]([C@@H]2CCCO2)C2(CO)CCC2)c(Cl)c1 ZINC000368231231 532931039 /nfs/dbraw/zinc/93/10/39/532931039.db2.gz JPFWJBYJMNHYEK-GOEBONIOSA-N -1 3 384.885 2.200 20 30 GEEDHM C#CCSCCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735387889 598849384 /nfs/dbraw/zinc/84/93/84/598849384.db2.gz JPCPXXMZCXEMSN-UHFFFAOYSA-N -1 3 383.433 2.135 20 30 GEEDHM C=CCOc1ccccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735436601 598874272 /nfs/dbraw/zinc/87/42/72/598874272.db2.gz OTUAFOQALXWTRL-UHFFFAOYSA-N -1 3 389.412 2.049 20 30 GEEDHM C=CCOc1ccccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735436601 598874273 /nfs/dbraw/zinc/87/42/73/598874273.db2.gz OTUAFOQALXWTRL-UHFFFAOYSA-N -1 3 389.412 2.049 20 30 GEEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736037085 598887600 /nfs/dbraw/zinc/88/76/00/598887600.db2.gz DCTVWBZAAAJGLS-CYBMUJFWSA-N -1 3 379.376 2.128 20 30 GEEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736037085 598887601 /nfs/dbraw/zinc/88/76/01/598887601.db2.gz DCTVWBZAAAJGLS-CYBMUJFWSA-N -1 3 379.376 2.128 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccccc1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899621 598896442 /nfs/dbraw/zinc/89/64/42/598896442.db2.gz PRBACKRUWUZLEL-INIZCTEOSA-N -1 3 377.360 2.004 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccccc1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899621 598896444 /nfs/dbraw/zinc/89/64/44/598896444.db2.gz PRBACKRUWUZLEL-INIZCTEOSA-N -1 3 377.360 2.004 20 30 GEEDHM N#C[C@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CCN1Cc1ccccc1 ZINC000737678104 598909174 /nfs/dbraw/zinc/90/91/74/598909174.db2.gz GUOBNQHOXNBMGJ-GDWUOILNSA-N -1 3 399.458 2.116 20 30 GEEDHM N#C[C@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CCN1Cc1ccccc1 ZINC000737678104 598909176 /nfs/dbraw/zinc/90/91/76/598909176.db2.gz GUOBNQHOXNBMGJ-GDWUOILNSA-N -1 3 399.458 2.116 20 30 GEEDHM Cc1nc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1-c1ccc(F)cc1 ZINC000737468213 598913777 /nfs/dbraw/zinc/91/37/77/598913777.db2.gz PUYMLEHBUOVGKJ-UHFFFAOYSA-N -1 3 389.354 2.019 20 30 GEEDHM Cc1nc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1-c1ccc(F)cc1 ZINC000737468213 598913779 /nfs/dbraw/zinc/91/37/79/598913779.db2.gz PUYMLEHBUOVGKJ-UHFFFAOYSA-N -1 3 389.354 2.019 20 30 GEEDHM N#Cc1cc(NC(=O)CCc2cnn(-c3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000737708486 598920435 /nfs/dbraw/zinc/92/04/35/598920435.db2.gz GKRHVZHUTCMXRT-UHFFFAOYSA-N -1 3 384.403 2.495 20 30 GEEDHM N#Cc1cc(NC(=O)CCc2cnn(-c3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000737708486 598920436 /nfs/dbraw/zinc/92/04/36/598920436.db2.gz GKRHVZHUTCMXRT-UHFFFAOYSA-N -1 3 384.403 2.495 20 30 GEEDHM C=C(COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(=O)OCC ZINC000735402399 598921402 /nfs/dbraw/zinc/92/14/02/598921402.db2.gz UOTREUDLXKTMFM-UHFFFAOYSA-N -1 3 398.375 2.315 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735387873 598926898 /nfs/dbraw/zinc/92/68/98/598926898.db2.gz JBUDKIYFGUJIQD-UHFFFAOYSA-N -1 3 393.472 2.428 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735387873 598926900 /nfs/dbraw/zinc/92/69/00/598926900.db2.gz JBUDKIYFGUJIQD-UHFFFAOYSA-N -1 3 393.472 2.428 20 30 GEEDHM N#CCc1cccc(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000737697491 598930809 /nfs/dbraw/zinc/93/08/09/598930809.db2.gz ICNYQNAHTXOHDU-UHFFFAOYSA-N -1 3 387.447 2.332 20 30 GEEDHM N#CCc1cccc(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000737697491 598930811 /nfs/dbraw/zinc/93/08/11/598930811.db2.gz ICNYQNAHTXOHDU-UHFFFAOYSA-N -1 3 387.447 2.332 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@H]1CCCN(c2ccccc2)C1=O ZINC000737703743 598977892 /nfs/dbraw/zinc/97/78/92/598977892.db2.gz BFOJLCSRQINOJR-AWEZNQCLSA-N -1 3 392.448 2.003 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@H]1CCCN(c2ccccc2)C1=O ZINC000737703743 598977893 /nfs/dbraw/zinc/97/78/93/598977893.db2.gz BFOJLCSRQINOJR-AWEZNQCLSA-N -1 3 392.448 2.003 20 30 GEEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000735450858 599032781 /nfs/dbraw/zinc/03/27/81/599032781.db2.gz GUCAYWVZWROMGJ-UHFFFAOYSA-N -1 3 397.464 2.243 20 30 GEEDHM COCCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736989014 599113839 /nfs/dbraw/zinc/11/38/39/599113839.db2.gz PIWSDKSIZCNQLL-CQSZACIVSA-N -1 3 392.419 2.185 20 30 GEEDHM COCCN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736989014 599113840 /nfs/dbraw/zinc/11/38/40/599113840.db2.gz PIWSDKSIZCNQLL-CQSZACIVSA-N -1 3 392.419 2.185 20 30 GEEDHM COc1ccc(C=CC(=O)c2cccc(NS(C)(=O)=O)c2)cc1-c1nnn[n-]1 ZINC000737082717 599155928 /nfs/dbraw/zinc/15/59/28/599155928.db2.gz YPRBPTRPDWZGFM-VURMDHGXSA-N -1 3 399.432 2.143 20 30 GEEDHM COc1ccc(C=CC(=O)c2cccc(NS(C)(=O)=O)c2)cc1-c1nn[n-]n1 ZINC000737082717 599155931 /nfs/dbraw/zinc/15/59/31/599155931.db2.gz YPRBPTRPDWZGFM-VURMDHGXSA-N -1 3 399.432 2.143 20 30 GEEDHM COc1cc(C#N)ccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737036020 599156693 /nfs/dbraw/zinc/15/66/93/599156693.db2.gz ZSWVMZXQZOGAPX-UHFFFAOYSA-N -1 3 375.348 2.376 20 30 GEEDHM COc1cc(C#N)ccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737036020 599156695 /nfs/dbraw/zinc/15/66/95/599156695.db2.gz ZSWVMZXQZOGAPX-UHFFFAOYSA-N -1 3 375.348 2.376 20 30 GEEDHM Cc1nc(C)c(C#N)c(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)n1 ZINC000737472218 599161744 /nfs/dbraw/zinc/16/17/44/599161744.db2.gz XDNKFTNSEAYUML-UHFFFAOYSA-N -1 3 391.420 2.488 20 30 GEEDHM Cc1nc(C)c(C#N)c(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)n1 ZINC000737472218 599161746 /nfs/dbraw/zinc/16/17/46/599161746.db2.gz XDNKFTNSEAYUML-UHFFFAOYSA-N -1 3 391.420 2.488 20 30 GEEDHM N#Cc1ccc(F)c(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822825720 599167004 /nfs/dbraw/zinc/16/70/04/599167004.db2.gz MSDBUFNYOSCZSG-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM N#Cc1ccc(F)c(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822825720 599167005 /nfs/dbraw/zinc/16/70/05/599167005.db2.gz MSDBUFNYOSCZSG-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737464086 599193514 /nfs/dbraw/zinc/19/35/14/599193514.db2.gz DPRPPAKACMIAKF-UHFFFAOYSA-N -1 3 391.420 2.156 20 30 GEEDHM Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737464086 599193516 /nfs/dbraw/zinc/19/35/16/599193516.db2.gz DPRPPAKACMIAKF-UHFFFAOYSA-N -1 3 391.420 2.156 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000737716334 599194387 /nfs/dbraw/zinc/19/43/87/599194387.db2.gz PFCPWOPJNYWIDL-GOEBONIOSA-N -1 3 388.387 2.252 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1-c1nn[n-]n1 ZINC000737716334 599194390 /nfs/dbraw/zinc/19/43/90/599194390.db2.gz PFCPWOPJNYWIDL-GOEBONIOSA-N -1 3 388.387 2.252 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000737716337 599194495 /nfs/dbraw/zinc/19/44/95/599194495.db2.gz PFCPWOPJNYWIDL-ZBFHGGJFSA-N -1 3 388.387 2.252 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1-c1nn[n-]n1 ZINC000737716337 599194499 /nfs/dbraw/zinc/19/44/99/599194499.db2.gz PFCPWOPJNYWIDL-ZBFHGGJFSA-N -1 3 388.387 2.252 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)cc1-c1nnn[n-]1 ZINC000737717783 599198607 /nfs/dbraw/zinc/19/86/07/599198607.db2.gz AXYPFMRISBSHFU-UHFFFAOYSA-N -1 3 375.323 2.384 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)cc1-c1nn[n-]n1 ZINC000737717783 599198609 /nfs/dbraw/zinc/19/86/09/599198609.db2.gz AXYPFMRISBSHFU-UHFFFAOYSA-N -1 3 375.323 2.384 20 30 GEEDHM N#Cc1ccc(OCCNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737721795 599215712 /nfs/dbraw/zinc/21/57/12/599215712.db2.gz OKZAZIUZFIOYMJ-UHFFFAOYSA-N -1 3 380.433 2.026 20 30 GEEDHM N#Cc1ccc(OCCNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737721795 599215714 /nfs/dbraw/zinc/21/57/14/599215714.db2.gz OKZAZIUZFIOYMJ-UHFFFAOYSA-N -1 3 380.433 2.026 20 30 GEEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccn(CCC#N)n1 ZINC000821105008 599283980 /nfs/dbraw/zinc/28/39/80/599283980.db2.gz VADRRVAJMLRCAI-UHFFFAOYSA-N -1 3 379.428 2.421 20 30 GEEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccn(CCC#N)n1 ZINC000821105008 599283982 /nfs/dbraw/zinc/28/39/82/599283982.db2.gz VADRRVAJMLRCAI-UHFFFAOYSA-N -1 3 379.428 2.421 20 30 GEEDHM C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000819745618 607335195 /nfs/dbraw/zinc/33/51/95/607335195.db2.gz MKQIZPOSEUBCRU-UHFFFAOYSA-N -1 3 398.373 2.298 20 30 GEEDHM C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819745618 607335197 /nfs/dbraw/zinc/33/51/97/607335197.db2.gz MKQIZPOSEUBCRU-UHFFFAOYSA-N -1 3 398.373 2.298 20 30 GEEDHM N#Cc1ccc(CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000737711760 598238766 /nfs/dbraw/zinc/23/87/66/598238766.db2.gz KJSVRRJXLBRKHI-UHFFFAOYSA-N -1 3 388.431 2.351 20 30 GEEDHM N#Cc1ccc(CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737711760 598238767 /nfs/dbraw/zinc/23/87/67/598238767.db2.gz KJSVRRJXLBRKHI-UHFFFAOYSA-N -1 3 388.431 2.351 20 30 GEEDHM N#C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2-c2nnn[n-]2)CCO1 ZINC000737677436 598361922 /nfs/dbraw/zinc/36/19/22/598361922.db2.gz COEWMEXUYZUHEH-ZDUSSCGKSA-N -1 3 392.444 2.382 20 30 GEEDHM N#C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)CCO1 ZINC000737677436 598361924 /nfs/dbraw/zinc/36/19/24/598361924.db2.gz COEWMEXUYZUHEH-ZDUSSCGKSA-N -1 3 392.444 2.382 20 30 GEEDHM N#C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCO1 ZINC000737680000 598372765 /nfs/dbraw/zinc/37/27/65/598372765.db2.gz UKLCYMAEFRQITE-QGZVFWFLSA-N -1 3 391.391 2.415 20 30 GEEDHM N#C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCO1 ZINC000737680000 598372766 /nfs/dbraw/zinc/37/27/66/598372766.db2.gz UKLCYMAEFRQITE-QGZVFWFLSA-N -1 3 391.391 2.415 20 30 GEEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncccc1OCCCC#N ZINC000736167646 598376868 /nfs/dbraw/zinc/37/68/68/598376868.db2.gz FXBRLRJXOFWJQF-ZDUSSCGKSA-N -1 3 393.407 2.350 20 30 GEEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(=O)c1cc(F)ccc1F ZINC000736189627 598391768 /nfs/dbraw/zinc/39/17/68/598391768.db2.gz ARZLWAILZQMZLV-ZETCQYMHSA-N -1 3 387.375 2.357 20 30 GEEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)C(=O)c1cc(F)ccc1F ZINC000736189627 598391771 /nfs/dbraw/zinc/39/17/71/598391771.db2.gz ARZLWAILZQMZLV-ZETCQYMHSA-N -1 3 387.375 2.357 20 30 GEEDHM CCOc1ccc(C=NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(O)c1 ZINC000736643878 598439526 /nfs/dbraw/zinc/43/95/26/598439526.db2.gz OCZAOSIYEKGJJI-MTJSOVHGSA-N -1 3 393.451 2.454 20 30 GEEDHM C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735442866 598479940 /nfs/dbraw/zinc/47/99/40/598479940.db2.gz LEYCWEOTMCJOJN-UHFFFAOYSA-N -1 3 396.432 2.335 20 30 GEEDHM C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735442866 598479942 /nfs/dbraw/zinc/47/99/42/598479942.db2.gz LEYCWEOTMCJOJN-UHFFFAOYSA-N -1 3 396.432 2.335 20 30 GEEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000736821717 598529033 /nfs/dbraw/zinc/52/90/33/598529033.db2.gz ZWZUOCBHSNTYTH-UHFFFAOYSA-N -1 3 377.408 2.111 20 30 GEEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000736821717 598529036 /nfs/dbraw/zinc/52/90/36/598529036.db2.gz ZWZUOCBHSNTYTH-UHFFFAOYSA-N -1 3 377.408 2.111 20 30 GEEDHM N#Cc1ccc(OC(F)F)c(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737722456 598546858 /nfs/dbraw/zinc/54/68/58/598546858.db2.gz VIOQEASXXRBUJD-UHFFFAOYSA-N -1 3 386.318 2.357 20 30 GEEDHM COC[C@@](C)(C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000821680222 607358670 /nfs/dbraw/zinc/35/86/70/607358670.db2.gz CTQPRROACYWFCM-HXUWFJFHSA-N -1 3 392.419 2.104 20 30 GEEDHM COC[C@@](C)(C#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000821680222 607358672 /nfs/dbraw/zinc/35/86/72/607358672.db2.gz CTQPRROACYWFCM-HXUWFJFHSA-N -1 3 392.419 2.104 20 30 GEEDHM COC[C@](C)(C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000821680221 607358709 /nfs/dbraw/zinc/35/87/09/607358709.db2.gz CTQPRROACYWFCM-FQEVSTJZSA-N -1 3 392.419 2.104 20 30 GEEDHM COC[C@](C)(C#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000821680221 607358711 /nfs/dbraw/zinc/35/87/11/607358711.db2.gz CTQPRROACYWFCM-FQEVSTJZSA-N -1 3 392.419 2.104 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000737026052 598574262 /nfs/dbraw/zinc/57/42/62/598574262.db2.gz VFEYUHKOSPCASO-INIZCTEOSA-N -1 3 390.403 2.321 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000737026052 598574264 /nfs/dbraw/zinc/57/42/64/598574264.db2.gz VFEYUHKOSPCASO-INIZCTEOSA-N -1 3 390.403 2.321 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000737727842 598680728 /nfs/dbraw/zinc/68/07/28/598680728.db2.gz CPZDQWXAFNCSHI-UHFFFAOYSA-N -1 3 394.414 2.065 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000737727842 598680729 /nfs/dbraw/zinc/68/07/29/598680729.db2.gz CPZDQWXAFNCSHI-UHFFFAOYSA-N -1 3 394.414 2.065 20 30 GEEDHM O=C(C=NOCCCOc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1 ZINC000737810025 598699209 /nfs/dbraw/zinc/69/92/09/598699209.db2.gz XARQHJNCQFYRLX-UHFFFAOYSA-N -1 3 384.371 2.416 20 30 GEEDHM N#Cc1ccccc1OCCOC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737727249 598713841 /nfs/dbraw/zinc/71/38/41/598713841.db2.gz HXBNPAFVAPGMDK-UHFFFAOYSA-N -1 3 381.417 2.453 20 30 GEEDHM N#Cc1ccccc1OCCOC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737727249 598713843 /nfs/dbraw/zinc/71/38/43/598713843.db2.gz HXBNPAFVAPGMDK-UHFFFAOYSA-N -1 3 381.417 2.453 20 30 GEEDHM N#Cc1ccc(-n2nccc2NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737709206 598806469 /nfs/dbraw/zinc/80/64/69/598806469.db2.gz JIACTUNYTUYHQI-UHFFFAOYSA-N -1 3 384.403 2.495 20 30 GEEDHM N#Cc1ccc(-n2nccc2NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737709206 598806470 /nfs/dbraw/zinc/80/64/70/598806470.db2.gz JIACTUNYTUYHQI-UHFFFAOYSA-N -1 3 384.403 2.495 20 30 GEEDHM CC[C@H](C#N)Oc1cc(CNC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1OC ZINC000736308842 598822951 /nfs/dbraw/zinc/82/29/51/598822951.db2.gz IOFROZMCWUGAEJ-MRXNPFEDSA-N -1 3 392.419 2.486 20 30 GEEDHM CC[C@H](C#N)Oc1cc(CNC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1OC ZINC000736308842 598822952 /nfs/dbraw/zinc/82/29/52/598822952.db2.gz IOFROZMCWUGAEJ-MRXNPFEDSA-N -1 3 392.419 2.486 20 30 GEEDHM N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822829678 599368006 /nfs/dbraw/zinc/36/80/06/599368006.db2.gz DFSHPWIDTILVRE-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822829678 599368009 /nfs/dbraw/zinc/36/80/09/599368009.db2.gz DFSHPWIDTILVRE-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM CC(Cn1nc(C)cc1C)=NOCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820306697 599384254 /nfs/dbraw/zinc/38/42/54/599384254.db2.gz CJNHIPGXKXNYBU-UHFFFAOYSA-N -1 3 393.411 2.323 20 30 GEEDHM CC(Cn1nc(C)cc1C)=NOCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820306697 599384256 /nfs/dbraw/zinc/38/42/56/599384256.db2.gz CJNHIPGXKXNYBU-UHFFFAOYSA-N -1 3 393.411 2.323 20 30 GEEDHM N#Cc1cccc(N2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)n1 ZINC000737730024 599422793 /nfs/dbraw/zinc/42/27/93/599422793.db2.gz DLHNRKMDFPLMDW-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cccc(N2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)n1 ZINC000737730024 599422794 /nfs/dbraw/zinc/42/27/94/599422794.db2.gz DLHNRKMDFPLMDW-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM C[C@@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820367906 599451652 /nfs/dbraw/zinc/45/16/52/599451652.db2.gz VHIJYWQWUKTFCC-CYBMUJFWSA-N -1 3 377.408 2.178 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1cccc(C#N)c1 ZINC000826117685 607381368 /nfs/dbraw/zinc/38/13/68/607381368.db2.gz PMMCTTFENPGTAW-MRXNPFEDSA-N -1 3 377.360 2.118 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1cccc(C#N)c1 ZINC000826117685 607381370 /nfs/dbraw/zinc/38/13/70/607381370.db2.gz PMMCTTFENPGTAW-MRXNPFEDSA-N -1 3 377.360 2.118 20 30 GEEDHM C=CCNC(=O)Nc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735431965 599490001 /nfs/dbraw/zinc/49/00/01/599490001.db2.gz LALWAYYUYMPPPV-UHFFFAOYSA-N -1 3 389.423 2.434 20 30 GEEDHM C=CCNC(=O)Nc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735431965 599490004 /nfs/dbraw/zinc/49/00/04/599490004.db2.gz LALWAYYUYMPPPV-UHFFFAOYSA-N -1 3 389.423 2.434 20 30 GEEDHM C[C@@H](COC(=O)c1ccc(C#N)cc1)COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736037821 599496363 /nfs/dbraw/zinc/49/63/63/599496363.db2.gz OPLYHJNIXMTIEW-ZDUSSCGKSA-N -1 3 391.387 2.388 20 30 GEEDHM C[C@@H](COC(=O)c1ccc(C#N)cc1)COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736037821 599496366 /nfs/dbraw/zinc/49/63/66/599496366.db2.gz OPLYHJNIXMTIEW-ZDUSSCGKSA-N -1 3 391.387 2.388 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000826251354 607382649 /nfs/dbraw/zinc/38/26/49/607382649.db2.gz MVGRFERGJLERQO-LBPRGKRZSA-N -1 3 376.376 2.231 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000826251354 607382651 /nfs/dbraw/zinc/38/26/51/607382651.db2.gz MVGRFERGJLERQO-LBPRGKRZSA-N -1 3 376.376 2.231 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000826252210 607383717 /nfs/dbraw/zinc/38/37/17/607383717.db2.gz UGBZMPVQZSCJDI-UHFFFAOYSA-N -1 3 396.794 2.496 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000826252210 607383718 /nfs/dbraw/zinc/38/37/18/607383718.db2.gz UGBZMPVQZSCJDI-UHFFFAOYSA-N -1 3 396.794 2.496 20 30 GEEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735428256 599606185 /nfs/dbraw/zinc/60/61/85/599606185.db2.gz JRBFTDSXKLCIEO-CYBMUJFWSA-N -1 3 392.419 2.458 20 30 GEEDHM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000819933057 599631763 /nfs/dbraw/zinc/63/17/63/599631763.db2.gz DHLIFJOMTZWMFK-YPMHNXCESA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000819933057 599631764 /nfs/dbraw/zinc/63/17/64/599631764.db2.gz DHLIFJOMTZWMFK-YPMHNXCESA-N -1 3 397.439 2.370 20 30 GEEDHM COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826220590 607399282 /nfs/dbraw/zinc/39/92/82/607399282.db2.gz SHCBLADLMYRTAV-CQSZACIVSA-N -1 3 376.376 2.145 20 30 GEEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000736662491 600594263 /nfs/dbraw/zinc/59/42/63/600594263.db2.gz PJRZMPMKWJHLJX-ACJLOTCBSA-N -1 3 387.461 2.285 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821577917 607457752 /nfs/dbraw/zinc/45/77/52/607457752.db2.gz DKHUONMJXGKUQK-YFHOEESVSA-N -1 3 395.394 2.369 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821577917 607457753 /nfs/dbraw/zinc/45/77/53/607457753.db2.gz DKHUONMJXGKUQK-YFHOEESVSA-N -1 3 395.394 2.369 20 30 GEEDHM N#Cc1ccc(F)c(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826385542 607459395 /nfs/dbraw/zinc/45/93/95/607459395.db2.gz QIRPHDROUMZUGC-UHFFFAOYSA-N -1 3 377.383 2.366 20 30 GEEDHM N#Cc1ccc(F)c(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826385542 607459397 /nfs/dbraw/zinc/45/93/97/607459397.db2.gz QIRPHDROUMZUGC-UHFFFAOYSA-N -1 3 377.383 2.366 20 30 GEEDHM CC(C)(C)n1ncc2c1nc(NN=Cc1ccc(-c3nnn[n-]3)cc1F)[nH]c2=O ZINC000819976308 607464372 /nfs/dbraw/zinc/46/43/72/607464372.db2.gz UFSPJEZKLYSROV-UHFFFAOYSA-N -1 3 396.390 2.052 20 30 GEEDHM CC(C)(C)n1ncc2c1nc(NN=Cc1ccc(-c3nn[n-]n3)cc1F)[nH]c2=O ZINC000819976308 607464374 /nfs/dbraw/zinc/46/43/74/607464374.db2.gz UFSPJEZKLYSROV-UHFFFAOYSA-N -1 3 396.390 2.052 20 30 GEEDHM CC(C)c1nc(CN(C)[C@H]2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)no1 ZINC000827152145 601027674 /nfs/dbraw/zinc/02/76/74/601027674.db2.gz AXARBZWNXNXIIS-FUHWJXTLSA-N -1 3 383.452 2.397 20 30 GEEDHM Clc1cccc(C#CCN2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000822586406 607507543 /nfs/dbraw/zinc/50/75/43/607507543.db2.gz XMJDNAUBDPIYDE-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM Clc1cccc(C#CCN2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000822586406 607507544 /nfs/dbraw/zinc/50/75/44/607507544.db2.gz XMJDNAUBDPIYDE-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM COc1ccc(C#N)cc1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826186935 607525463 /nfs/dbraw/zinc/52/54/63/607525463.db2.gz RAHDLSHSMSEQHT-UHFFFAOYSA-N -1 3 375.436 2.069 20 30 GEEDHM C=C(C)CN1CCC(NC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2OC)CC1 ZINC000738485876 602679377 /nfs/dbraw/zinc/67/93/77/602679377.db2.gz VZJHBPBCHUAGSN-QGZVFWFLSA-N -1 3 390.484 2.344 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000824640467 607586272 /nfs/dbraw/zinc/58/62/72/607586272.db2.gz JEZBIAFFRWMQHO-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM C=CCSCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823937381 607600105 /nfs/dbraw/zinc/60/01/05/607600105.db2.gz VLRWZQDJFFNMPK-UHFFFAOYSA-N -1 3 393.416 2.083 20 30 GEEDHM CC(C)[C@](C)(CNC(=O)[O-])NCc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000738770702 603136853 /nfs/dbraw/zinc/13/68/53/603136853.db2.gz JBRGRODWXGCPLO-XOBRGWDASA-N -1 3 381.436 2.496 20 30 GEEDHM COc1ccc(CNC(=O)c2cc3ccccc3n2CC#N)cc1-c1nnn[n-]1 ZINC000826200822 607609340 /nfs/dbraw/zinc/60/93/40/607609340.db2.gz KIHZTJFUAYLYIE-UHFFFAOYSA-N -1 3 387.403 2.284 20 30 GEEDHM COc1ccc(CNC(=O)c2cc3ccccc3n2CC#N)cc1-c1nn[n-]n1 ZINC000826200822 607609341 /nfs/dbraw/zinc/60/93/41/607609341.db2.gz KIHZTJFUAYLYIE-UHFFFAOYSA-N -1 3 387.403 2.284 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000824641808 607655762 /nfs/dbraw/zinc/65/57/62/607655762.db2.gz ZDPMDOZZUNRVJA-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826257295 607664486 /nfs/dbraw/zinc/66/44/86/607664486.db2.gz WJUPCMVWNCGLPK-UHFFFAOYSA-N -1 3 387.447 2.399 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826257295 607664488 /nfs/dbraw/zinc/66/44/88/607664488.db2.gz WJUPCMVWNCGLPK-UHFFFAOYSA-N -1 3 387.447 2.399 20 30 GEEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000828030943 604187002 /nfs/dbraw/zinc/18/70/02/604187002.db2.gz MKFKBMASCWFDHL-MSOLQXFVSA-N -1 3 387.484 2.068 20 30 GEEDHM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000827015380 604512853 /nfs/dbraw/zinc/51/28/53/604512853.db2.gz CFSCBABVOWVJLK-WMLDXEAASA-N -1 3 382.420 2.034 20 30 GEEDHM CCOc1ccnc(N2CCCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1 ZINC000830117057 604682378 /nfs/dbraw/zinc/68/23/78/604682378.db2.gz OHQWIDSOULTRGN-SFHVURJKSA-N -1 3 381.436 2.085 20 30 GEEDHM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 ZINC000833419637 604863026 /nfs/dbraw/zinc/86/30/26/604863026.db2.gz IMCHJCKUNHEXNQ-KRWDZBQOSA-N -1 3 398.463 2.103 20 30 GEEDHM C#CCN(CC)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccc(F)cc1 ZINC000819698011 606074710 /nfs/dbraw/zinc/07/47/10/606074710.db2.gz PTOHIKWAPDOPQF-UHFFFAOYSA-N -1 3 395.442 2.307 20 30 GEEDHM C#CCN(CC)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccc(F)cc1 ZINC000819698011 606074715 /nfs/dbraw/zinc/07/47/15/606074715.db2.gz PTOHIKWAPDOPQF-UHFFFAOYSA-N -1 3 395.442 2.307 20 30 GEEDHM Clc1ccc(C#CCN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000822573590 606108870 /nfs/dbraw/zinc/10/88/70/606108870.db2.gz BRGCWGGKAGSACU-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM Clc1ccc(C#CCN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000822573590 606108873 /nfs/dbraw/zinc/10/88/73/606108873.db2.gz BRGCWGGKAGSACU-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM O=C(C=NOCc1cn2ccccc2c1-c1nnn[n-]1)Nc1ccc(F)cc1 ZINC000822935249 606175991 /nfs/dbraw/zinc/17/59/91/606175991.db2.gz IOLNBRFRKWMOEH-UHFFFAOYSA-N -1 3 379.355 2.400 20 30 GEEDHM O=C(C=NOCc1cn2ccccc2c1-c1nn[n-]n1)Nc1ccc(F)cc1 ZINC000822935249 606175993 /nfs/dbraw/zinc/17/59/93/606175993.db2.gz IOLNBRFRKWMOEH-UHFFFAOYSA-N -1 3 379.355 2.400 20 30 GEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000822631710 606287549 /nfs/dbraw/zinc/28/75/49/606287549.db2.gz FTNZZVCTMCNWRJ-GFCCVEGCSA-N -1 3 375.314 2.219 20 30 GEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000822631710 606287550 /nfs/dbraw/zinc/28/75/50/606287550.db2.gz FTNZZVCTMCNWRJ-GFCCVEGCSA-N -1 3 375.314 2.219 20 30 GEEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000822801616 606300842 /nfs/dbraw/zinc/30/08/42/606300842.db2.gz LCDDCHVTVJJFSF-DOMZBBRYSA-N -1 3 378.392 2.461 20 30 GEEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000822801616 606300843 /nfs/dbraw/zinc/30/08/43/606300843.db2.gz LCDDCHVTVJJFSF-DOMZBBRYSA-N -1 3 378.392 2.461 20 30 GEEDHM CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821937696 606392478 /nfs/dbraw/zinc/39/24/78/606392478.db2.gz PIUSQDGRQSXZHP-HWKANZROSA-N -1 3 378.410 2.367 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)c2ccc(F)cc2C1=O ZINC000819745916 606394528 /nfs/dbraw/zinc/39/45/28/606394528.db2.gz UTUPMLLLXTZPBF-UHFFFAOYSA-N -1 3 392.394 2.248 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)c2ccc(F)cc2C1=O ZINC000819745916 606394530 /nfs/dbraw/zinc/39/45/30/606394530.db2.gz UTUPMLLLXTZPBF-UHFFFAOYSA-N -1 3 392.394 2.248 20 30 GEEDHM N#Cc1ccccc1N1CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000822842459 606537660 /nfs/dbraw/zinc/53/76/60/606537660.db2.gz JGQIARYQJDTTDF-UHFFFAOYSA-N -1 3 379.449 2.152 20 30 GEEDHM N#Cc1ccccc1N1CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000822842459 606537662 /nfs/dbraw/zinc/53/76/62/606537662.db2.gz JGQIARYQJDTTDF-UHFFFAOYSA-N -1 3 379.449 2.152 20 30 GEEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000822801717 606554045 /nfs/dbraw/zinc/55/40/45/606554045.db2.gz MZYMLKITQAQWAT-OAHLLOKOSA-N -1 3 397.439 2.090 20 30 GEEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000822801717 606554046 /nfs/dbraw/zinc/55/40/46/606554046.db2.gz MZYMLKITQAQWAT-OAHLLOKOSA-N -1 3 397.439 2.090 20 30 GEEDHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)N(CCC#N)c1ccccc1 ZINC000820508024 606568075 /nfs/dbraw/zinc/56/80/75/606568075.db2.gz LCIAHFBSSKQDIB-LBPRGKRZSA-N -1 3 396.432 2.420 20 30 GEEDHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)N(CCC#N)c1ccccc1 ZINC000820508024 606568077 /nfs/dbraw/zinc/56/80/77/606568077.db2.gz LCIAHFBSSKQDIB-LBPRGKRZSA-N -1 3 396.432 2.420 20 30 GEEDHM N#CCCN(CCC#N)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822810489 606641000 /nfs/dbraw/zinc/64/10/00/606641000.db2.gz JKLMHHRMQVUPKJ-UHFFFAOYSA-N -1 3 398.496 2.265 20 30 GEEDHM N#CCCN(CCC#N)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822810489 606641001 /nfs/dbraw/zinc/64/10/01/606641001.db2.gz JKLMHHRMQVUPKJ-UHFFFAOYSA-N -1 3 398.496 2.265 20 30 GEEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccnc(C#N)c1 ZINC000820031450 606647843 /nfs/dbraw/zinc/64/78/43/606647843.db2.gz FIOLWABCEZKHKV-QGZVFWFLSA-N -1 3 378.392 2.280 20 30 GEEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccnc(C#N)c1 ZINC000820031450 606647844 /nfs/dbraw/zinc/64/78/44/606647844.db2.gz FIOLWABCEZKHKV-QGZVFWFLSA-N -1 3 378.392 2.280 20 30 GEEDHM N#Cc1ccnc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1[N+](=O)[O-] ZINC000822842352 606708924 /nfs/dbraw/zinc/70/89/24/606708924.db2.gz DNMBCQOCADMNJA-UHFFFAOYSA-N -1 3 392.379 2.089 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820313173 606740847 /nfs/dbraw/zinc/74/08/47/606740847.db2.gz BQXBZYSYXFXZDO-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820313173 606740849 /nfs/dbraw/zinc/74/08/49/606740849.db2.gz BQXBZYSYXFXZDO-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM COC(=O)c1cc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c(C)s1 ZINC000821668022 606769517 /nfs/dbraw/zinc/76/95/17/606769517.db2.gz LQSZHCICOXSUHW-UHFFFAOYSA-N -1 3 387.450 2.164 20 30 GEEDHM COC(=O)c1cc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c(C)s1 ZINC000821668022 606769518 /nfs/dbraw/zinc/76/95/18/606769518.db2.gz LQSZHCICOXSUHW-UHFFFAOYSA-N -1 3 387.450 2.164 20 30 GEEDHM O=C(C#Cc1ccc2c(c1)OCO2)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822912331 606787106 /nfs/dbraw/zinc/78/71/06/606787106.db2.gz WMNTTZBPPDVKLI-UHFFFAOYSA-N -1 3 387.399 2.138 20 30 GEEDHM O=C(C#Cc1ccc2c(c1)OCO2)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822912331 606787108 /nfs/dbraw/zinc/78/71/08/606787108.db2.gz WMNTTZBPPDVKLI-UHFFFAOYSA-N -1 3 387.399 2.138 20 30 GEEDHM Cc1nc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)oc1-c1ccc(Cl)cc1 ZINC000822449634 606793783 /nfs/dbraw/zinc/79/37/83/606793783.db2.gz HWPDZMGDYMRPMD-UHFFFAOYSA-N -1 3 381.787 2.182 20 30 GEEDHM Cc1nc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)oc1-c1ccc(Cl)cc1 ZINC000822449634 606793785 /nfs/dbraw/zinc/79/37/85/606793785.db2.gz HWPDZMGDYMRPMD-UHFFFAOYSA-N -1 3 381.787 2.182 20 30 GEEDHM C=C[C@H](C)NC(=O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819730054 606836976 /nfs/dbraw/zinc/83/69/76/606836976.db2.gz RCHIMQPESANDJT-LBPRGKRZSA-N -1 3 378.392 2.288 20 30 GEEDHM C=C[C@H](C)NC(=O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819730054 606836978 /nfs/dbraw/zinc/83/69/78/606836978.db2.gz RCHIMQPESANDJT-LBPRGKRZSA-N -1 3 378.392 2.288 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)Nc1ncc(C#N)s1 ZINC000821701493 607024369 /nfs/dbraw/zinc/02/43/69/607024369.db2.gz QMEKAUITVCEODS-UHFFFAOYSA-N -1 3 385.409 2.001 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)Nc1ncc(C#N)s1 ZINC000821701493 607024371 /nfs/dbraw/zinc/02/43/71/607024371.db2.gz QMEKAUITVCEODS-UHFFFAOYSA-N -1 3 385.409 2.001 20 30 GEEDHM Fc1ccc(CNC(=S)NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000822772443 607147430 /nfs/dbraw/zinc/14/74/30/607147430.db2.gz ZBIVVMGFSICHOW-UHFFFAOYSA-N -1 3 394.439 2.485 20 30 GEEDHM Fc1ccc(CNC(=S)NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000822772443 607147432 /nfs/dbraw/zinc/14/74/32/607147432.db2.gz ZBIVVMGFSICHOW-UHFFFAOYSA-N -1 3 394.439 2.485 20 30 GEEDHM N#Cc1ccc(CCC(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cc1 ZINC000822825501 607188747 /nfs/dbraw/zinc/18/87/47/607188747.db2.gz ICYVUGLFHLJFDS-UHFFFAOYSA-N -1 3 398.430 2.377 20 30 GEEDHM N#Cc1ccc(CCC(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cc1 ZINC000822825501 607188748 /nfs/dbraw/zinc/18/87/48/607188748.db2.gz ICYVUGLFHLJFDS-UHFFFAOYSA-N -1 3 398.430 2.377 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823903751 607784331 /nfs/dbraw/zinc/78/43/31/607784331.db2.gz IXKVDZBWIRPSRY-ZDUSSCGKSA-N -1 3 399.455 2.436 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823903751 607784332 /nfs/dbraw/zinc/78/43/32/607784332.db2.gz IXKVDZBWIRPSRY-ZDUSSCGKSA-N -1 3 399.455 2.436 20 30 GEEDHM C#Cc1cccc(N(CC)S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000823861505 607826889 /nfs/dbraw/zinc/82/68/89/607826889.db2.gz KYPHBWZEJRRYLL-UHFFFAOYSA-N -1 3 385.424 2.343 20 30 GEEDHM C#Cc1cccc(N(CC)S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000823861505 607826890 /nfs/dbraw/zinc/82/68/90/607826890.db2.gz KYPHBWZEJRRYLL-UHFFFAOYSA-N -1 3 385.424 2.343 20 30 GEEDHM N#Cc1ccc(-c2ccn(C[C@@H](O)COc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000826384049 607868603 /nfs/dbraw/zinc/86/86/03/607868603.db2.gz DLZXKMWZSGDLQN-QGZVFWFLSA-N -1 3 387.403 2.042 20 30 GEEDHM COc1ccccc1C1N=NC(=S)N1N=Cc1ccccc1-c1nnn[n-]1 ZINC000826218209 607882896 /nfs/dbraw/zinc/88/28/96/607882896.db2.gz SZEJVFHRYIEASX-UHFFFAOYSA-N -1 3 378.421 2.305 20 30 GEEDHM COc1ccccc1C1N=NC(=S)N1N=Cc1ccccc1-c1nn[n-]n1 ZINC000826218209 607882897 /nfs/dbraw/zinc/88/28/97/607882897.db2.gz SZEJVFHRYIEASX-UHFFFAOYSA-N -1 3 378.421 2.305 20 30 GEEDHM C=C(C)[C@H](CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)OCC ZINC000823874431 607905169 /nfs/dbraw/zinc/90/51/69/607905169.db2.gz WRXISMBLCSSKSS-SFHVURJKSA-N -1 3 384.484 2.323 20 30 GEEDHM C=C(C)[C@H](CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)OCC ZINC000823874431 607905170 /nfs/dbraw/zinc/90/51/70/607905170.db2.gz WRXISMBLCSSKSS-SFHVURJKSA-N -1 3 384.484 2.323 20 30 GEEDHM N#Cc1cc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)ccc1Cl ZINC000826384536 607934637 /nfs/dbraw/zinc/93/46/37/607934637.db2.gz ZEIMTBJPJRXOBR-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM N#Cc1cc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)ccc1Cl ZINC000826384536 607934638 /nfs/dbraw/zinc/93/46/38/607934638.db2.gz ZEIMTBJPJRXOBR-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM C#CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000823837532 607944408 /nfs/dbraw/zinc/94/44/08/607944408.db2.gz DTRHZGWOQAQWOK-INIZCTEOSA-N -1 3 394.822 2.339 20 30 GEEDHM C#CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000823837532 607944409 /nfs/dbraw/zinc/94/44/09/607944409.db2.gz DTRHZGWOQAQWOK-INIZCTEOSA-N -1 3 394.822 2.339 20 30 GEEDHM C=C[C@H](CC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC000823883613 607965466 /nfs/dbraw/zinc/96/54/66/607965466.db2.gz VODJNOZAUQVSBY-MRXNPFEDSA-N -1 3 389.463 2.270 20 30 GEEDHM C=C[C@H](CC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC000823883613 607965467 /nfs/dbraw/zinc/96/54/67/607965467.db2.gz VODJNOZAUQVSBY-MRXNPFEDSA-N -1 3 389.463 2.270 20 30 GEEDHM COc1ccc(CON=C(N)c2ccc(Br)o2)cc1-c1nnn[n-]1 ZINC000826206970 607973694 /nfs/dbraw/zinc/97/36/94/607973694.db2.gz UBHLBZBEHOYCGU-UHFFFAOYSA-N -1 3 393.201 2.068 20 30 GEEDHM COc1ccc(CON=C(N)c2ccc(Br)o2)cc1-c1nn[n-]n1 ZINC000826206970 607973695 /nfs/dbraw/zinc/97/36/95/607973695.db2.gz UBHLBZBEHOYCGU-UHFFFAOYSA-N -1 3 393.201 2.068 20 30 GEEDHM N#CCc1ccc(C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000826382029 607973914 /nfs/dbraw/zinc/97/39/14/607973914.db2.gz LIBZRIWSWCSJKD-UHFFFAOYSA-N -1 3 387.447 2.285 20 30 GEEDHM N#CCc1ccc(C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000826382029 607973915 /nfs/dbraw/zinc/97/39/15/607973915.db2.gz LIBZRIWSWCSJKD-UHFFFAOYSA-N -1 3 387.447 2.285 20 30 GEEDHM C=C[C@H](CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883590 607981030 /nfs/dbraw/zinc/98/10/30/607981030.db2.gz VAYANXXQOKPKIP-FZKQIMNGSA-N -1 3 377.404 2.296 20 30 GEEDHM C=C[C@H](CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883590 607981031 /nfs/dbraw/zinc/98/10/31/607981031.db2.gz VAYANXXQOKPKIP-FZKQIMNGSA-N -1 3 377.404 2.296 20 30 GEEDHM N#Cc1ccc(NCCNc2ccc(-c3nn[n-]n3)cc2Br)nc1 ZINC000826385630 608048052 /nfs/dbraw/zinc/04/80/52/608048052.db2.gz UUURMBSARJWANC-UHFFFAOYSA-N -1 3 385.229 2.420 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000826386663 608049498 /nfs/dbraw/zinc/04/94/98/608049498.db2.gz NSUXHAUBANGWEF-KRWDZBQOSA-N -1 3 375.392 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ZINC000826147721 608146773 /nfs/dbraw/zinc/14/67/73/608146773.db2.gz JMDGYPWCHBEJBI-KRWDZBQOSA-N -1 3 379.376 2.141 20 30 GEEDHM CCn1c(NC(=O)COc2cccc(C#N)c2)nc2cc(-c3nnn[n-]3)ccc21 ZINC000825793404 608174485 /nfs/dbraw/zinc/17/44/85/608174485.db2.gz SWIWBNNIGAORQE-UHFFFAOYSA-N -1 3 388.391 2.125 20 30 GEEDHM CCn1c(NC(=O)COc2cccc(C#N)c2)nc2cc(-c3nn[n-]n3)ccc21 ZINC000825793404 608174487 /nfs/dbraw/zinc/17/44/87/608174487.db2.gz SWIWBNNIGAORQE-UHFFFAOYSA-N -1 3 388.391 2.125 20 30 GEEDHM N#Cc1ccc2nc(N3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)ccc2c1 ZINC000826385822 608223789 /nfs/dbraw/zinc/22/37/89/608223789.db2.gz CHGSIMQQFCMSPC-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccc2nc(N3CCN(c4ccc(-c5nn[n-]n5)cn4)CC3)ccc2c1 ZINC000826385822 608223790 /nfs/dbraw/zinc/22/37/90/608223790.db2.gz CHGSIMQQFCMSPC-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#CC1(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCOCC1 ZINC000826380048 608329635 /nfs/dbraw/zinc/32/96/35/608329635.db2.gz LEQURLADLTXERB-UHFFFAOYSA-N 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608410156 /nfs/dbraw/zinc/41/01/56/608410156.db2.gz RSPFJAUOQLHBKW-UHFFFAOYSA-N -1 3 388.351 2.044 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])cnc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826384353 608410158 /nfs/dbraw/zinc/41/01/58/608410158.db2.gz RSPFJAUOQLHBKW-UHFFFAOYSA-N -1 3 388.351 2.044 20 30 GEEDHM N#CCC(=O)Nc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826380685 608437344 /nfs/dbraw/zinc/43/73/44/608437344.db2.gz JNAKWNQLRADYHW-UHFFFAOYSA-N -1 3 380.339 2.215 20 30 GEEDHM N#CCC(=O)Nc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826380685 608437346 /nfs/dbraw/zinc/43/73/46/608437346.db2.gz JNAKWNQLRADYHW-UHFFFAOYSA-N -1 3 380.339 2.215 20 30 GEEDHM C=CCOc1cccnc1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000823931606 608459008 /nfs/dbraw/zinc/45/90/08/608459008.db2.gz AVXQRYGZNRQPRK-UHFFFAOYSA-N -1 3 396.476 2.490 20 30 GEEDHM C=CCOc1cccnc1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000823931606 608459009 /nfs/dbraw/zinc/45/90/09/608459009.db2.gz AVXQRYGZNRQPRK-UHFFFAOYSA-N -1 3 396.476 2.490 20 30 GEEDHM C=CCOc1cccnc1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823932305 608470052 /nfs/dbraw/zinc/47/00/52/608470052.db2.gz UBLXIDMUKFMOQG-KRWDZBQOSA-N -1 3 392.419 2.040 20 30 GEEDHM C=CCOc1cccnc1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823932305 608470053 /nfs/dbraw/zinc/47/00/53/608470053.db2.gz UBLXIDMUKFMOQG-KRWDZBQOSA-N -1 3 392.419 2.040 20 30 GEEDHM Clc1cc(-c2nnn[n-]2)cc([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)n1 ZINC000826350468 608536667 /nfs/dbraw/zinc/53/66/67/608536667.db2.gz XLIFZAWDJQUTES-UHFFFAOYSA-N -1 3 384.831 2.198 20 30 GEEDHM Clc1cc(-c2nn[n-]n2)cc([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)n1 ZINC000826350468 608536668 /nfs/dbraw/zinc/53/66/68/608536668.db2.gz XLIFZAWDJQUTES-UHFFFAOYSA-N -1 3 384.831 2.198 20 30 GEEDHM CCCN1c2ccccc2C(=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)C1=O ZINC000825323485 608538425 /nfs/dbraw/zinc/53/84/25/608538425.db2.gz WTXLPTPJZSXVBJ-UHFFFAOYSA-N -1 3 382.815 2.488 20 30 GEEDHM CCCN1c2ccccc2C(=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)C1=O ZINC000825323485 608538426 /nfs/dbraw/zinc/53/84/26/608538426.db2.gz WTXLPTPJZSXVBJ-UHFFFAOYSA-N -1 3 382.815 2.488 20 30 GEEDHM CC(C)N1c2ccccc2C(=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)C1=O ZINC000824297371 608540504 /nfs/dbraw/zinc/54/05/04/608540504.db2.gz VBVKXWIQFXYAEL-UHFFFAOYSA-N -1 3 382.815 2.486 20 30 GEEDHM CC(C)N1c2ccccc2C(=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)C1=O ZINC000824297371 608540506 /nfs/dbraw/zinc/54/05/06/608540506.db2.gz VBVKXWIQFXYAEL-UHFFFAOYSA-N -1 3 382.815 2.486 20 30 GEEDHM O=C1Nc2ccc(Cl)cc2C1=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826505977 608543235 /nfs/dbraw/zinc/54/32/35/608543235.db2.gz JUAPRAIQTTVUNU-UHFFFAOYSA-N -1 3 375.179 2.337 20 30 GEEDHM O=C1Nc2ccc(Cl)cc2C1=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826505977 608543236 /nfs/dbraw/zinc/54/32/36/608543236.db2.gz JUAPRAIQTTVUNU-UHFFFAOYSA-N -1 3 375.179 2.337 20 30 GEEDHM N#CCC[C@H](NCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826381728 608555820 /nfs/dbraw/zinc/55/58/20/608555820.db2.gz WRKIMVOPUWVFKH-SFHVURJKSA-N -1 3 396.476 2.275 20 30 GEEDHM C=CC[C@@H](CO)CNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823888803 608561807 /nfs/dbraw/zinc/56/18/07/608561807.db2.gz XFJNWXTZGOPCEO-MRXNPFEDSA-N -1 3 393.447 2.360 20 30 GEEDHM C=CC[C@@H](CO)CNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823888803 608561809 /nfs/dbraw/zinc/56/18/09/608561809.db2.gz XFJNWXTZGOPCEO-MRXNPFEDSA-N -1 3 393.447 2.360 20 30 GEEDHM C=C(Cl)CNC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823883046 608624737 /nfs/dbraw/zinc/62/47/37/608624737.db2.gz JIEJJWXDEYIQGU-UHFFFAOYSA-N -1 3 377.836 2.003 20 30 GEEDHM C=C(Cl)CNC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823883046 608624740 /nfs/dbraw/zinc/62/47/40/608624740.db2.gz JIEJJWXDEYIQGU-UHFFFAOYSA-N -1 3 377.836 2.003 20 30 GEEDHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCC(C)(C#N)CC1 ZINC000824052791 609141463 /nfs/dbraw/zinc/14/14/63/609141463.db2.gz RRWRPZRFPCYQJX-LLVKDONJSA-N -1 3 385.497 2.370 20 30 GEEDHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCC(C)(C#N)CC1 ZINC000824052791 609141464 /nfs/dbraw/zinc/14/14/64/609141464.db2.gz RRWRPZRFPCYQJX-LLVKDONJSA-N -1 3 385.497 2.370 20 30 GEEDHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCC(C)(C#N)CC1 ZINC000824052792 609141885 /nfs/dbraw/zinc/14/18/85/609141885.db2.gz RRWRPZRFPCYQJX-NSHDSACASA-N -1 3 385.497 2.370 20 30 GEEDHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCC(C)(C#N)CC1 ZINC000824052792 609141887 /nfs/dbraw/zinc/14/18/87/609141887.db2.gz RRWRPZRFPCYQJX-NSHDSACASA-N -1 3 385.497 2.370 20 30 GEEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)n1 ZINC000826383421 609293018 /nfs/dbraw/zinc/29/30/18/609293018.db2.gz ZSPQAPYLTQCWFV-UHFFFAOYSA-N -1 3 380.368 2.377 20 30 GEEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)n1 ZINC000826383421 609293020 /nfs/dbraw/zinc/29/30/20/609293020.db2.gz ZSPQAPYLTQCWFV-UHFFFAOYSA-N -1 3 380.368 2.377 20 30 GEEDHM N#Cc1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)ccc1-c1nnn[n-]1 ZINC000826383977 609321144 /nfs/dbraw/zinc/32/11/44/609321144.db2.gz AKTLBKHNFAQZIA-UHFFFAOYSA-N -1 3 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COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451404993 532764488 /nfs/dbraw/zinc/76/44/88/532764488.db2.gz OHGLEKCVOGLPAO-JTQLQIEISA-N -1 3 384.763 2.178 20 30 GEEDHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000452033714 532771616 /nfs/dbraw/zinc/77/16/16/532771616.db2.gz QVHSKROIFUYYRZ-UHFFFAOYSA-N -1 3 375.288 2.396 20 30 GEEDHM Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000287240350 532787933 /nfs/dbraw/zinc/78/79/33/532787933.db2.gz GXCXZGLBTGYZPV-CQSZACIVSA-N -1 3 395.282 2.410 20 30 GEEDHM N#Cc1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1F ZINC000551610495 532801764 /nfs/dbraw/zinc/80/17/64/532801764.db2.gz KUDBOPOPDRJATI-UHFFFAOYSA-N -1 3 387.845 2.121 20 30 GEEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCc2cscn2)CCCC1 ZINC000329903180 532813054 /nfs/dbraw/zinc/81/30/54/532813054.db2.gz QAFOUEJZJZBRKS-UHFFFAOYSA-N -1 3 384.483 2.496 20 30 GEEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000272899506 532819064 /nfs/dbraw/zinc/81/90/64/532819064.db2.gz ZMEMPDGNROOWNX-UHFFFAOYSA-N -1 3 391.820 2.238 20 30 GEEDHM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416444446 532877495 /nfs/dbraw/zinc/87/74/95/532877495.db2.gz YEPVJIGMEAMEHH-JTQLQIEISA-N -1 3 389.271 2.188 20 30 GEEDHM N#CCCCNC(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000290316228 532878172 /nfs/dbraw/zinc/87/81/72/532878172.db2.gz AJBJCNVGAUUJRP-UHFFFAOYSA-N -1 3 383.779 2.057 20 30 GEEDHM CC[C@H](CC#N)NC(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000290740773 532888196 /nfs/dbraw/zinc/88/81/96/532888196.db2.gz OXDGYZSSQOFMLQ-SNVBAGLBSA-N -1 3 397.806 2.446 20 30 GEEDHM C=CCC(C)(C)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000292771840 532918464 /nfs/dbraw/zinc/91/84/64/532918464.db2.gz QDYDSKQETSNXMA-UHFFFAOYSA-N -1 3 390.527 2.337 20 30 GEEDHM CN1CCC(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cn2)CC1 ZINC000366637920 532919733 /nfs/dbraw/zinc/91/97/33/532919733.db2.gz ZIRPUZAEBRZAET-UHFFFAOYSA-N -1 3 378.479 2.289 20 30 GEEDHM CN1CCC(n2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)n2)CC1 ZINC000369681142 532940399 /nfs/dbraw/zinc/94/03/99/532940399.db2.gz ILYHXIJNAKVCOO-UHFFFAOYSA-N -1 3 379.873 2.476 20 30 GEEDHM C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735419304 598871356 /nfs/dbraw/zinc/87/13/56/598871356.db2.gz RMAQRSXHADNTDQ-UHFFFAOYSA-N -1 3 387.440 2.425 20 30 GEEDHM C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735419304 598871358 /nfs/dbraw/zinc/87/13/58/598871358.db2.gz RMAQRSXHADNTDQ-UHFFFAOYSA-N -1 3 387.440 2.425 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000735426856 598871634 /nfs/dbraw/zinc/87/16/34/598871634.db2.gz YXXKKBIUZDGIJI-UHFFFAOYSA-N -1 3 398.423 2.254 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000735426856 598871635 /nfs/dbraw/zinc/87/16/35/598871635.db2.gz YXXKKBIUZDGIJI-UHFFFAOYSA-N -1 3 398.423 2.254 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccccc1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899623 598896547 /nfs/dbraw/zinc/89/65/47/598896547.db2.gz PRBACKRUWUZLEL-MRXNPFEDSA-N -1 3 377.360 2.004 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccccc1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899623 598896548 /nfs/dbraw/zinc/89/65/48/598896548.db2.gz PRBACKRUWUZLEL-MRXNPFEDSA-N -1 3 377.360 2.004 20 30 GEEDHM C=CCc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(OC)c1 ZINC000735442557 598916149 /nfs/dbraw/zinc/91/61/49/598916149.db2.gz GQZOPDRMDGQSFN-UHFFFAOYSA-N -1 3 390.403 2.493 20 30 GEEDHM C=CCc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(OC)c1 ZINC000735442557 598916151 /nfs/dbraw/zinc/91/61/51/598916151.db2.gz GQZOPDRMDGQSFN-UHFFFAOYSA-N -1 3 390.403 2.493 20 30 GEEDHM N#Cc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1-c1nnn[n-]1 ZINC000737715582 598917775 /nfs/dbraw/zinc/91/77/75/598917775.db2.gz BPIBXRQKWBXREG-UHFFFAOYSA-N -1 3 392.404 2.421 20 30 GEEDHM N#Cc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1-c1nn[n-]n1 ZINC000737715582 598917777 /nfs/dbraw/zinc/91/77/77/598917777.db2.gz BPIBXRQKWBXREG-UHFFFAOYSA-N -1 3 392.404 2.421 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735632920 598926130 /nfs/dbraw/zinc/92/61/30/598926130.db2.gz IOUDMNJYNYNFJC-AWEZNQCLSA-N -1 3 383.412 2.076 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735632920 598926131 /nfs/dbraw/zinc/92/61/31/598926131.db2.gz IOUDMNJYNYNFJC-AWEZNQCLSA-N -1 3 383.412 2.076 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCn1cc(C#N)c(=O)c2ccccc21 ZINC000737033372 598940088 /nfs/dbraw/zinc/94/00/88/598940088.db2.gz YCUIJNARBANCJK-UHFFFAOYSA-N -1 3 388.387 2.141 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCn1cc(C#N)c(=O)c2ccccc21 ZINC000737033372 598940090 /nfs/dbraw/zinc/94/00/90/598940090.db2.gz YCUIJNARBANCJK-UHFFFAOYSA-N -1 3 388.387 2.141 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCON=C(C)Cn1nc(C)cc1C ZINC000737033225 598980084 /nfs/dbraw/zinc/98/00/84/598980084.db2.gz ULEBXMMWAOLTEX-UHFFFAOYSA-N -1 3 385.428 2.160 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCON=C(C)Cn1nc(C)cc1C ZINC000737033225 598980086 /nfs/dbraw/zinc/98/00/86/598980086.db2.gz ULEBXMMWAOLTEX-UHFFFAOYSA-N -1 3 385.428 2.160 20 30 GEEDHM N#Cc1ccc(NCCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)nc1 ZINC000737718466 599044687 /nfs/dbraw/zinc/04/46/87/599044687.db2.gz JNHUBEYSNDPGBI-UHFFFAOYSA-N -1 3 375.318 2.071 20 30 GEEDHM N#Cc1ccc(NCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)nc1 ZINC000737718466 599044690 /nfs/dbraw/zinc/04/46/90/599044690.db2.gz JNHUBEYSNDPGBI-UHFFFAOYSA-N -1 3 375.318 2.071 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000735418111 599059899 /nfs/dbraw/zinc/05/98/99/599059899.db2.gz ASRZXBZMHOJJNC-BBWFWOEESA-N -1 3 382.468 2.378 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000735418111 599059900 /nfs/dbraw/zinc/05/99/00/599059900.db2.gz ASRZXBZMHOJJNC-BBWFWOEESA-N -1 3 382.468 2.378 20 30 GEEDHM COc1ccc(C=Nn2cnc3sc(C)c(C)c3c2=O)cc1-c1nnn[n-]1 ZINC000737081833 599126263 /nfs/dbraw/zinc/12/62/63/599126263.db2.gz CQLYVCQHNIMUBU-UHFFFAOYSA-N -1 3 381.421 2.146 20 30 GEEDHM COc1ccc(C=Nn2cnc3sc(C)c(C)c3c2=O)cc1-c1nn[n-]n1 ZINC000737081833 599126266 /nfs/dbraw/zinc/12/62/66/599126266.db2.gz CQLYVCQHNIMUBU-UHFFFAOYSA-N -1 3 381.421 2.146 20 30 GEEDHM COc1ccc(C=NNC(=S)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1-c1nnn[n-]1 ZINC000737082538 599126716 /nfs/dbraw/zinc/12/67/16/599126716.db2.gz WZPUQNWKPRUIOP-LALPHHSUSA-N -1 3 387.513 2.498 20 30 GEEDHM COc1ccc(C=NNC(=S)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1-c1nn[n-]n1 ZINC000737082538 599126719 /nfs/dbraw/zinc/12/67/19/599126719.db2.gz WZPUQNWKPRUIOP-LALPHHSUSA-N -1 3 387.513 2.498 20 30 GEEDHM COc1ccccc1NC(=S)NN=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000737151593 599127490 /nfs/dbraw/zinc/12/74/90/599127490.db2.gz HQDIJPZIHLFBJU-UHFFFAOYSA-N -1 3 383.437 2.204 20 30 GEEDHM COc1ccccc1NC(=S)NN=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000737151593 599127493 /nfs/dbraw/zinc/12/74/93/599127493.db2.gz HQDIJPZIHLFBJU-UHFFFAOYSA-N -1 3 383.437 2.204 20 30 GEEDHM CCNc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000736579106 599190692 /nfs/dbraw/zinc/19/06/92/599190692.db2.gz AVLYJPYFIAGYFT-UHFFFAOYSA-N -1 3 378.352 2.331 20 30 GEEDHM CCNc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000736579106 599190694 /nfs/dbraw/zinc/19/06/94/599190694.db2.gz AVLYJPYFIAGYFT-UHFFFAOYSA-N -1 3 378.352 2.331 20 30 GEEDHM N#Cc1cc(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)ccc1-c1nnn[n-]1 ZINC000737703470 599194891 /nfs/dbraw/zinc/19/48/91/599194891.db2.gz BUNNPALAFALESC-MRXNPFEDSA-N -1 3 395.329 2.148 20 30 GEEDHM N#Cc1cc(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)ccc1-c1nn[n-]n1 ZINC000737703470 599194894 /nfs/dbraw/zinc/19/48/94/599194894.db2.gz BUNNPALAFALESC-MRXNPFEDSA-N -1 3 395.329 2.148 20 30 GEEDHM N#Cc1ccc(OCCNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737722315 599213290 /nfs/dbraw/zinc/21/32/90/599213290.db2.gz SDAILPPAUIYQSR-UHFFFAOYSA-N -1 3 394.460 2.167 20 30 GEEDHM N#Cc1ccc(OCCNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737722315 599213293 /nfs/dbraw/zinc/21/32/93/599213293.db2.gz SDAILPPAUIYQSR-UHFFFAOYSA-N -1 3 394.460 2.167 20 30 GEEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000735410200 599218336 /nfs/dbraw/zinc/21/83/36/599218336.db2.gz WXEKUOKXPXMVHH-LBPRGKRZSA-N -1 3 393.407 2.073 20 30 GEEDHM N#Cc1cc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c2ccccc2n1 ZINC000737705093 599263472 /nfs/dbraw/zinc/26/34/72/599263472.db2.gz MLDSHRYIZWUPII-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c2ccccc2n1 ZINC000737705093 599263475 /nfs/dbraw/zinc/26/34/75/599263475.db2.gz MLDSHRYIZWUPII-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c([N+](=O)[O-])c1 ZINC000737719318 598247601 /nfs/dbraw/zinc/24/76/01/598247601.db2.gz SPPRRWCSILLTTH-UHFFFAOYSA-N -1 3 394.370 2.112 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737709386 598247642 /nfs/dbraw/zinc/24/76/42/598247642.db2.gz KHKNPRCUNXIKCX-UHFFFAOYSA-N -1 3 394.370 2.112 20 30 GEEDHM Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000737390911 598274381 /nfs/dbraw/zinc/27/43/81/598274381.db2.gz SZUHJBQQIDFXOR-LLVKDONJSA-N -1 3 394.464 2.452 20 30 GEEDHM Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000737390911 598274383 /nfs/dbraw/zinc/27/43/83/598274383.db2.gz SZUHJBQQIDFXOR-LLVKDONJSA-N -1 3 394.464 2.452 20 30 GEEDHM C=CCCO[C@@H](C)C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000735416208 598307769 /nfs/dbraw/zinc/30/77/69/598307769.db2.gz FHCWZWVXMVNKPZ-ZDUSSCGKSA-N -1 3 383.408 2.318 20 30 GEEDHM C=CCCO[C@@H](C)C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000735416208 598307771 /nfs/dbraw/zinc/30/77/71/598307771.db2.gz FHCWZWVXMVNKPZ-ZDUSSCGKSA-N -1 3 383.408 2.318 20 30 GEEDHM COc1c(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)nn1C ZINC000737025150 598314470 /nfs/dbraw/zinc/31/44/70/598314470.db2.gz MAVFPBIZHNWPQY-UHFFFAOYSA-N -1 3 380.334 2.382 20 30 GEEDHM COc1c(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)nn1C ZINC000737025150 598314472 /nfs/dbraw/zinc/31/44/72/598314472.db2.gz MAVFPBIZHNWPQY-UHFFFAOYSA-N -1 3 380.334 2.382 20 30 GEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000737239764 598372664 /nfs/dbraw/zinc/37/26/64/598372664.db2.gz GLWRGFLEBHCINQ-HNNXBMFYSA-N -1 3 396.476 2.477 20 30 GEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000737239764 598372666 /nfs/dbraw/zinc/37/26/66/598372666.db2.gz GLWRGFLEBHCINQ-HNNXBMFYSA-N -1 3 396.476 2.477 20 30 GEEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncccc1OCCCC#N ZINC000736167645 598376921 /nfs/dbraw/zinc/37/69/21/598376921.db2.gz FXBRLRJXOFWJQF-CYBMUJFWSA-N -1 3 393.407 2.350 20 30 GEEDHM C#CCOc1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000735388284 598428289 /nfs/dbraw/zinc/42/82/89/598428289.db2.gz WRQCMPZTZXQXNT-UHFFFAOYSA-N -1 3 390.808 2.300 20 30 GEEDHM C#CCOc1cccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000735388284 598428290 /nfs/dbraw/zinc/42/82/90/598428290.db2.gz WRQCMPZTZXQXNT-UHFFFAOYSA-N -1 3 390.808 2.300 20 30 GEEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCN(CC#N)CC1 ZINC000735832174 598429424 /nfs/dbraw/zinc/42/94/24/598429424.db2.gz XBQPLGBVUIPHJY-UHFFFAOYSA-N -1 3 396.499 2.022 20 30 GEEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCN(CC#N)CC1 ZINC000735832174 598429425 /nfs/dbraw/zinc/42/94/25/598429425.db2.gz XBQPLGBVUIPHJY-UHFFFAOYSA-N -1 3 396.499 2.022 20 30 GEEDHM COc1cccc(C=NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1O ZINC000737128754 598440055 /nfs/dbraw/zinc/44/00/55/598440055.db2.gz HPLPAMLSOYMIFB-RGVLZGJSSA-N -1 3 379.424 2.064 20 30 GEEDHM COc1cccc(C=NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1O ZINC000737128754 598440057 /nfs/dbraw/zinc/44/00/57/598440057.db2.gz HPLPAMLSOYMIFB-RGVLZGJSSA-N -1 3 379.424 2.064 20 30 GEEDHM CC(CCN1C(=O)c2ccccc2C1=O)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000735987914 598492128 /nfs/dbraw/zinc/49/21/28/598492128.db2.gz YIFHGAMOLLSSKU-UHFFFAOYSA-N -1 3 375.392 2.341 20 30 GEEDHM CC(CCN1C(=O)c2ccccc2C1=O)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000735987914 598492129 /nfs/dbraw/zinc/49/21/29/598492129.db2.gz YIFHGAMOLLSSKU-UHFFFAOYSA-N -1 3 375.392 2.341 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])cnc1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737709338 598502499 /nfs/dbraw/zinc/50/24/99/598502499.db2.gz KEMNVXVFFFHKSS-UHFFFAOYSA-N -1 3 392.379 2.089 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])cnc1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737709338 598502502 /nfs/dbraw/zinc/50/25/02/598502502.db2.gz KEMNVXVFFFHKSS-UHFFFAOYSA-N -1 3 392.379 2.089 20 30 GEEDHM C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735431334 598555335 /nfs/dbraw/zinc/55/53/35/598555335.db2.gz BVPJPLNIVJHNII-CYBMUJFWSA-N -1 3 392.419 2.189 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)cc1Cl ZINC000737723092 598560856 /nfs/dbraw/zinc/56/08/56/598560856.db2.gz PDMXXMXWHZPAQD-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)cc1Cl ZINC000737723092 598560858 /nfs/dbraw/zinc/56/08/58/598560858.db2.gz PDMXXMXWHZPAQD-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#CCOc1ccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737696852 598669352 /nfs/dbraw/zinc/66/93/52/598669352.db2.gz WJQFARBQRRCKQE-UHFFFAOYSA-N -1 3 380.433 2.178 20 30 GEEDHM N#CCOc1ccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737696852 598669354 /nfs/dbraw/zinc/66/93/54/598669354.db2.gz WJQFARBQRRCKQE-UHFFFAOYSA-N -1 3 380.433 2.178 20 30 GEEDHM C#CCN1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735380186 598682905 /nfs/dbraw/zinc/68/29/05/598682905.db2.gz DXOKDQPHDRBWSU-KRWDZBQOSA-N -1 3 389.419 2.090 20 30 GEEDHM C#CCN1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735380186 598682906 /nfs/dbraw/zinc/68/29/06/598682906.db2.gz DXOKDQPHDRBWSU-KRWDZBQOSA-N -1 3 389.419 2.090 20 30 GEEDHM C=CC1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)CC1 ZINC000735402492 598731678 /nfs/dbraw/zinc/73/16/78/598731678.db2.gz CGODNEGQXGYIBF-UHFFFAOYSA-N -1 3 384.440 2.017 20 30 GEEDHM C=CC1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)CC1 ZINC000735402492 598731680 /nfs/dbraw/zinc/73/16/80/598731680.db2.gz CGODNEGQXGYIBF-UHFFFAOYSA-N -1 3 384.440 2.017 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000737728007 598745199 /nfs/dbraw/zinc/74/51/99/598745199.db2.gz HDCXHQMXBUHWFI-UHFFFAOYSA-N -1 3 398.377 2.209 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000737728007 598745201 /nfs/dbraw/zinc/74/52/01/598745201.db2.gz HDCXHQMXBUHWFI-UHFFFAOYSA-N -1 3 398.377 2.209 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ccc(Br)cn2)nc1N ZINC000737706237 598752771 /nfs/dbraw/zinc/75/27/71/598752771.db2.gz WREUFIVLHKRQDK-UHFFFAOYSA-N -1 3 389.242 2.165 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ccc(Br)cn2)nc1N ZINC000737706237 598752773 /nfs/dbraw/zinc/75/27/73/598752773.db2.gz WREUFIVLHKRQDK-UHFFFAOYSA-N -1 3 389.242 2.165 20 30 GEEDHM N#Cc1ccc(OC2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000737721807 598756162 /nfs/dbraw/zinc/75/61/62/598756162.db2.gz OLLGRDVTSVOFJG-UHFFFAOYSA-N -1 3 392.379 2.089 20 30 GEEDHM N#Cc1ccc(OC2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000737721807 598756165 /nfs/dbraw/zinc/75/61/65/598756165.db2.gz OLLGRDVTSVOFJG-UHFFFAOYSA-N -1 3 392.379 2.089 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])cnc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737707912 598756312 /nfs/dbraw/zinc/75/63/12/598756312.db2.gz AEOHGCKWLGKTNC-UHFFFAOYSA-N -1 3 392.379 2.089 20 30 GEEDHM COc1ccc(NC(=S)NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cn1 ZINC000821835774 599340374 /nfs/dbraw/zinc/34/03/74/599340374.db2.gz RITJUBQCGMXPFG-UHFFFAOYSA-N -1 3 394.464 2.297 20 30 GEEDHM COc1ccc(NC(=S)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC000821835774 599340377 /nfs/dbraw/zinc/34/03/77/599340377.db2.gz RITJUBQCGMXPFG-UHFFFAOYSA-N -1 3 394.464 2.297 20 30 GEEDHM N#Cc1ccc(SCC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826385913 607372124 /nfs/dbraw/zinc/37/21/24/607372124.db2.gz HBOXGJCZBNEDJG-UHFFFAOYSA-N -1 3 379.401 2.257 20 30 GEEDHM N#Cc1ccc(SCC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826385913 607372125 /nfs/dbraw/zinc/37/21/25/607372125.db2.gz HBOXGJCZBNEDJG-UHFFFAOYSA-N -1 3 379.401 2.257 20 30 GEEDHM N#CCn1c(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc2ccccc21 ZINC000826382743 607372203 /nfs/dbraw/zinc/37/22/03/607372203.db2.gz SGRZKWBFHCAKEI-UHFFFAOYSA-N -1 3 386.371 2.385 20 30 GEEDHM N#CCn1c(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc2ccccc21 ZINC000826382743 607372204 /nfs/dbraw/zinc/37/22/04/607372204.db2.gz SGRZKWBFHCAKEI-UHFFFAOYSA-N -1 3 386.371 2.385 20 30 GEEDHM CC(C)Oc1ccc(NCC(=O)NC2(C#N)CCCCC2)cc1-c1nnn[n-]1 ZINC000820173403 607373641 /nfs/dbraw/zinc/37/36/41/607373641.db2.gz DKEKUUULSWDASB-UHFFFAOYSA-N -1 3 383.456 2.408 20 30 GEEDHM CC(C)Oc1ccc(NCC(=O)NC2(C#N)CCCCC2)cc1-c1nn[n-]n1 ZINC000820173403 607373643 /nfs/dbraw/zinc/37/36/43/607373643.db2.gz DKEKUUULSWDASB-UHFFFAOYSA-N -1 3 383.456 2.408 20 30 GEEDHM C=CCOc1ccccc1CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819759549 599438276 /nfs/dbraw/zinc/43/82/76/599438276.db2.gz ZQVUFDCZKXIQCD-UHFFFAOYSA-N -1 3 394.435 2.310 20 30 GEEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(OC)c1 ZINC000737066663 599458097 /nfs/dbraw/zinc/45/80/97/599458097.db2.gz QCSCWQBSLFWWGB-DAXSKMNVSA-N -1 3 376.376 2.428 20 30 GEEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(OC)c1 ZINC000737066663 599458099 /nfs/dbraw/zinc/45/80/99/599458099.db2.gz QCSCWQBSLFWWGB-DAXSKMNVSA-N -1 3 376.376 2.428 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccc(C#N)cc1 ZINC000826116629 607380876 /nfs/dbraw/zinc/38/08/76/607380876.db2.gz CHSHUJGQSFOOJK-MRXNPFEDSA-N -1 3 377.360 2.118 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccc(C#N)cc1 ZINC000826116629 607380877 /nfs/dbraw/zinc/38/08/77/607380877.db2.gz CHSHUJGQSFOOJK-MRXNPFEDSA-N -1 3 377.360 2.118 20 30 GEEDHM O=C(CON=Cc1c(Cl)nc2ccccn21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737917365 599476384 /nfs/dbraw/zinc/47/63/84/599476384.db2.gz WMRVAPKSDHDTML-UHFFFAOYSA-N -1 3 396.798 2.157 20 30 GEEDHM O=C(CON=Cc1c(Cl)nc2ccccn21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737917365 599476386 /nfs/dbraw/zinc/47/63/86/599476386.db2.gz WMRVAPKSDHDTML-UHFFFAOYSA-N -1 3 396.798 2.157 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000821700600 599512098 /nfs/dbraw/zinc/51/20/98/599512098.db2.gz SRFVAQUYVYMFMR-LBPRGKRZSA-N -1 3 378.392 2.003 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000821700600 599512102 /nfs/dbraw/zinc/51/21/02/599512102.db2.gz SRFVAQUYVYMFMR-LBPRGKRZSA-N -1 3 378.392 2.003 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccnc1Cl ZINC000735426229 599593025 /nfs/dbraw/zinc/59/30/25/599593025.db2.gz MIOGLWYEHZOHDY-UHFFFAOYSA-N -1 3 390.856 2.292 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccnc1Cl ZINC000735426229 599593026 /nfs/dbraw/zinc/59/30/26/599593026.db2.gz MIOGLWYEHZOHDY-UHFFFAOYSA-N -1 3 390.856 2.292 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000826251660 607386665 /nfs/dbraw/zinc/38/66/65/607386665.db2.gz XBVWXCASOJMCPR-CQSZACIVSA-N -1 3 394.416 2.071 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000826251660 607386668 /nfs/dbraw/zinc/38/66/68/607386668.db2.gz XBVWXCASOJMCPR-CQSZACIVSA-N -1 3 394.416 2.071 20 30 GEEDHM N#CCc1ccccc1C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822815037 599652170 /nfs/dbraw/zinc/65/21/70/599652170.db2.gz NAAPDQQGFBRKCC-UHFFFAOYSA-N -1 3 387.359 2.340 20 30 GEEDHM N#CCc1ccccc1C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822815037 599652171 /nfs/dbraw/zinc/65/21/71/599652171.db2.gz NAAPDQQGFBRKCC-UHFFFAOYSA-N -1 3 387.359 2.340 20 30 GEEDHM N#Cc1cccc(-c2nnc(COC(=O)Cc3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822837010 599659697 /nfs/dbraw/zinc/65/96/97/599659697.db2.gz DZLSQRANLMDKTH-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM N#Cc1cccc(-c2nnc(COC(=O)Cc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822837010 599659698 /nfs/dbraw/zinc/65/96/98/599659698.db2.gz DZLSQRANLMDKTH-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000819743834 599679407 /nfs/dbraw/zinc/67/94/07/599679407.db2.gz QRQPGWDMPIVZJV-CQSZACIVSA-N -1 3 386.456 2.152 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000819743834 599679408 /nfs/dbraw/zinc/67/94/08/599679408.db2.gz QRQPGWDMPIVZJV-CQSZACIVSA-N -1 3 386.456 2.152 20 30 GEEDHM COc1ccc(C#N)cc1COC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821769899 607410972 /nfs/dbraw/zinc/41/09/72/607410972.db2.gz LTCCMBSJUFOEQO-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)CC1 ZINC000736095056 599993381 /nfs/dbraw/zinc/99/33/81/599993381.db2.gz HACYNAFRNCHLTO-UHFFFAOYSA-N -1 3 388.468 2.053 20 30 GEEDHM COc1ccc(C#N)cc1COC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821769898 607411168 /nfs/dbraw/zinc/41/11/68/607411168.db2.gz LTCCMBSJUFOEQO-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM N#Cc1ccc([C@H](N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)C(=O)[O-])cc1 ZINC000833072343 600760958 /nfs/dbraw/zinc/76/09/58/600760958.db2.gz RSSNOULJWDPFKI-HDAAZOAOSA-N -1 3 375.428 2.431 20 30 GEEDHM CC(C)c1nc(CN(C)[C@@H]2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)no1 ZINC000827152143 601028183 /nfs/dbraw/zinc/02/81/83/601028183.db2.gz AXARBZWNXNXIIS-AEFFLSMTSA-N -1 3 383.452 2.397 20 30 GEEDHM COc1ccc(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1-c1nnn[n-]1 ZINC000826195399 607502182 /nfs/dbraw/zinc/50/21/82/607502182.db2.gz RUARQNZZSHDMLM-GOSISDBHSA-N -1 3 389.463 2.085 20 30 GEEDHM COc1ccc(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1-c1nn[n-]n1 ZINC000826195399 607502184 /nfs/dbraw/zinc/50/21/84/607502184.db2.gz RUARQNZZSHDMLM-GOSISDBHSA-N -1 3 389.463 2.085 20 30 GEEDHM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823919812 607546487 /nfs/dbraw/zinc/54/64/87/607546487.db2.gz RUPWAKBVZJSKTK-UHFFFAOYSA-N -1 3 394.460 2.424 20 30 GEEDHM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823919812 607546489 /nfs/dbraw/zinc/54/64/89/607546489.db2.gz RUPWAKBVZJSKTK-UHFFFAOYSA-N -1 3 394.460 2.424 20 30 GEEDHM COc1ccc(CNC(=O)CSc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826197591 607579933 /nfs/dbraw/zinc/57/99/33/607579933.db2.gz VURUXHYRHWGQHF-UHFFFAOYSA-N -1 3 380.433 2.155 20 30 GEEDHM COc1ccc(CNC(=O)CSc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826197591 607579934 /nfs/dbraw/zinc/57/99/34/607579934.db2.gz VURUXHYRHWGQHF-UHFFFAOYSA-N -1 3 380.433 2.155 20 30 GEEDHM C=CCOc1ccccc1CNS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823932030 607613099 /nfs/dbraw/zinc/61/30/99/607613099.db2.gz KXZIYZMBRARWGY-UHFFFAOYSA-N -1 3 385.449 2.218 20 30 GEEDHM C=CCOc1ccccc1CNS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823932030 607613100 /nfs/dbraw/zinc/61/31/00/607613100.db2.gz KXZIYZMBRARWGY-UHFFFAOYSA-N -1 3 385.449 2.218 20 30 GEEDHM CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825632453 607618290 /nfs/dbraw/zinc/61/82/90/607618290.db2.gz SJRXAHBXCPJATO-UHFFFAOYSA-N -1 3 393.407 2.467 20 30 GEEDHM CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825632453 607618291 /nfs/dbraw/zinc/61/82/91/607618291.db2.gz SJRXAHBXCPJATO-UHFFFAOYSA-N -1 3 393.407 2.467 20 30 GEEDHM COc1ccc(C=Nn2c(C)csc2=NC[C@H]2CCCO2)cc1-c1nnn[n-]1 ZINC000826190417 607634158 /nfs/dbraw/zinc/63/41/58/607634158.db2.gz AIDWDORXMXLCJF-CQSZACIVSA-N -1 3 399.480 2.009 20 30 GEEDHM COc1ccc(C=Nn2c(C)csc2=NC[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC000826190417 607634160 /nfs/dbraw/zinc/63/41/60/607634160.db2.gz AIDWDORXMXLCJF-CQSZACIVSA-N -1 3 399.480 2.009 20 30 GEEDHM Cc1csc(=NCCc2ccccn2)n1N=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826320655 607634229 /nfs/dbraw/zinc/63/42/29/607634229.db2.gz YJIMBQGVCNQTPN-UHFFFAOYSA-N -1 3 390.476 2.459 20 30 GEEDHM Cc1csc(=NCCc2ccccn2)n1N=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826320655 607634230 /nfs/dbraw/zinc/63/42/30/607634230.db2.gz YJIMBQGVCNQTPN-UHFFFAOYSA-N -1 3 390.476 2.459 20 30 GEEDHM N#Cc1c(F)cccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826383685 607672380 /nfs/dbraw/zinc/67/23/80/607672380.db2.gz LKNXXGNWAULZKU-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1c(F)cccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1 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607179619 /nfs/dbraw/zinc/17/96/19/607179619.db2.gz NRWPOTSBHWEUAS-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM CCOC(=O)C(F)(F)[C@H]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825493880 607783034 /nfs/dbraw/zinc/78/30/34/607783034.db2.gz QAGUUQSRVODTMJ-ZDUSSCGKSA-N -1 3 378.383 2.311 20 30 GEEDHM CCOC(=O)C(F)(F)[C@H]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825493880 607783035 /nfs/dbraw/zinc/78/30/35/607783035.db2.gz QAGUUQSRVODTMJ-ZDUSSCGKSA-N -1 3 378.383 2.311 20 30 GEEDHM N#Cc1cccnc1N1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826387396 607839132 /nfs/dbraw/zinc/83/91/32/607839132.db2.gz SSIIAMHYWFEAQO-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cccnc1N1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826387396 607839133 /nfs/dbraw/zinc/83/91/33/607839133.db2.gz SSIIAMHYWFEAQO-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1c(F)cccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826383232 607867653 /nfs/dbraw/zinc/86/76/53/607867653.db2.gz QJHIOSDYRNUGDY-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1c(F)cccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826383232 607867654 /nfs/dbraw/zinc/86/76/54/607867654.db2.gz QJHIOSDYRNUGDY-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM C#CCOCCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823856215 607882213 /nfs/dbraw/zinc/88/22/13/607882213.db2.gz MUWGNEBNNKIDMP-UHFFFAOYSA-N -1 3 377.404 2.424 20 30 GEEDHM C#CCOCCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823856215 607882214 /nfs/dbraw/zinc/88/22/14/607882214.db2.gz MUWGNEBNNKIDMP-UHFFFAOYSA-N -1 3 377.404 2.424 20 30 GEEDHM c1nn(-c2ccccc2)c2ncnc(N=NCc3ccccc3-c3nnn[n-]3)c12 ZINC000823868411 607885624 /nfs/dbraw/zinc/88/56/24/607885624.db2.gz ZYGOAJKSSXGCSG-UHFFFAOYSA-N -1 3 382.391 2.442 20 30 GEEDHM c1nn(-c2ccccc2)c2ncnc(N=NCc3ccccc3-c3nn[n-]n3)c12 ZINC000823868411 607885625 /nfs/dbraw/zinc/88/56/25/607885625.db2.gz ZYGOAJKSSXGCSG-UHFFFAOYSA-N -1 3 382.391 2.442 20 30 GEEDHM C#CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823838393 607944336 /nfs/dbraw/zinc/94/43/36/607944336.db2.gz PJCBHWYPOFEPMI-INIZCTEOSA-N -1 3 394.822 2.339 20 30 GEEDHM C#CC[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823838393 607944337 /nfs/dbraw/zinc/94/43/37/607944337.db2.gz PJCBHWYPOFEPMI-INIZCTEOSA-N -1 3 394.822 2.339 20 30 GEEDHM C#CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823838340 607944378 /nfs/dbraw/zinc/94/43/78/607944378.db2.gz OLUROLIPKYXWJR-OAHLLOKOSA-N -1 3 394.822 2.339 20 30 GEEDHM C#CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823838340 607944379 /nfs/dbraw/zinc/94/43/79/607944379.db2.gz OLUROLIPKYXWJR-OAHLLOKOSA-N -1 3 394.822 2.339 20 30 GEEDHM C=C[C@H](CC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)c1ccccc1 ZINC000823882605 607966132 /nfs/dbraw/zinc/96/61/32/607966132.db2.gz AIVDZTAEVQCAIS-MRXNPFEDSA-N -1 3 389.463 2.270 20 30 GEEDHM C=C[C@H](CC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)c1ccccc1 ZINC000823882605 607966133 /nfs/dbraw/zinc/96/61/33/607966133.db2.gz AIVDZTAEVQCAIS-MRXNPFEDSA-N -1 3 389.463 2.270 20 30 GEEDHM COc1ccc(CN2C(=O)CSC2=CC(=O)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826193359 607971859 /nfs/dbraw/zinc/97/18/59/607971859.db2.gz BEPOCKHJKGQCJZ-LZYBPNLTSA-N -1 3 387.465 2.407 20 30 GEEDHM COc1ccc(CN2C(=O)CSC2=CC(=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826193359 607971860 /nfs/dbraw/zinc/97/18/60/607971860.db2.gz BEPOCKHJKGQCJZ-LZYBPNLTSA-N -1 3 387.465 2.407 20 30 GEEDHM N#CCOc1cccc(CC(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC000826382093 608029977 /nfs/dbraw/zinc/02/99/77/608029977.db2.gz OBCSONAUCAJGJW-UHFFFAOYSA-N -1 3 388.387 2.308 20 30 GEEDHM N#CCOc1cccc(CC(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC000826382093 608029978 /nfs/dbraw/zinc/02/99/78/608029978.db2.gz OBCSONAUCAJGJW-UHFFFAOYSA-N -1 3 388.387 2.308 20 30 GEEDHM N#Cc1cc(F)ccc1NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826384156 608073439 /nfs/dbraw/zinc/07/34/39/608073439.db2.gz JBSGITJCWUXFOA-QGZVFWFLSA-N -1 3 393.382 2.483 20 30 GEEDHM N#Cc1cc(F)ccc1NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826384156 608073440 /nfs/dbraw/zinc/07/34/40/608073440.db2.gz JBSGITJCWUXFOA-QGZVFWFLSA-N -1 3 393.382 2.483 20 30 GEEDHM N#Cc1ccccc1C=CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826387057 608089744 /nfs/dbraw/zinc/08/97/44/608089744.db2.gz DXGPVCJAKPQMEG-CSHXORCISA-N -1 3 386.415 2.352 20 30 GEEDHM N#Cc1ccccc1C=CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826387057 608089745 /nfs/dbraw/zinc/08/97/45/608089745.db2.gz DXGPVCJAKPQMEG-CSHXORCISA-N -1 3 386.415 2.352 20 30 GEEDHM CCc1csc(-n2cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cn2)n1 ZINC000825739727 608097883 /nfs/dbraw/zinc/09/78/83/608097883.db2.gz IQHNZSSGAPXMBH-UHFFFAOYSA-N -1 3 391.420 2.195 20 30 GEEDHM CCc1csc(-n2cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cn2)n1 ZINC000825739727 608097884 /nfs/dbraw/zinc/09/78/84/608097884.db2.gz IQHNZSSGAPXMBH-UHFFFAOYSA-N -1 3 391.420 2.195 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](O)c1cccc(OC)c1 ZINC000823909433 608196606 /nfs/dbraw/zinc/19/66/06/608196606.db2.gz DGJGYSQQOWDVLM-GOSISDBHSA-N 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ZINC000823999437 608535613 /nfs/dbraw/zinc/53/56/13/608535613.db2.gz AFMDJDFTHYIOBH-UHFFFAOYSA-N -1 3 386.803 2.415 20 30 GEEDHM CC(=O)Nc1ccc(O)c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000823999437 608535614 /nfs/dbraw/zinc/53/56/14/608535614.db2.gz AFMDJDFTHYIOBH-UHFFFAOYSA-N -1 3 386.803 2.415 20 30 GEEDHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCC(=O)NC2(C#N)CCC2)n1 ZINC000826262245 608550931 /nfs/dbraw/zinc/55/09/31/608550931.db2.gz JCGXGJWFINIXJW-UHFFFAOYSA-N -1 3 397.386 2.244 20 30 GEEDHM N#Cc1cccc(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826386491 608558421 /nfs/dbraw/zinc/55/84/21/608558421.db2.gz HKDYYMIWPCJGCO-UHFFFAOYSA-N -1 3 389.419 2.253 20 30 GEEDHM N#Cc1cccc(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826386491 608558423 /nfs/dbraw/zinc/55/84/23/608558423.db2.gz HKDYYMIWPCJGCO-UHFFFAOYSA-N -1 3 389.419 2.253 20 30 GEEDHM N#Cc1ccc(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826384401 608560209 /nfs/dbraw/zinc/56/02/09/608560209.db2.gz UBCZZOOFJIHQTH-UHFFFAOYSA-N -1 3 389.419 2.253 20 30 GEEDHM N#Cc1ccc(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000826384401 608560211 /nfs/dbraw/zinc/56/02/11/608560211.db2.gz UBCZZOOFJIHQTH-UHFFFAOYSA-N -1 3 389.419 2.253 20 30 GEEDHM Cc1c(C)n(C2CCCCC2)c(NC(=O)Cn2ccnc2C#N)c1-c1nnn[n-]1 ZINC000826233580 608892753 /nfs/dbraw/zinc/89/27/53/608892753.db2.gz MYIVYDBYWNSWFB-UHFFFAOYSA-N -1 3 393.455 2.497 20 30 GEEDHM Cc1c(C)n(C2CCCCC2)c(NC(=O)Cn2ccnc2C#N)c1-c1nn[n-]n1 ZINC000826233580 608892758 /nfs/dbraw/zinc/89/27/58/608892758.db2.gz MYIVYDBYWNSWFB-UHFFFAOYSA-N -1 3 393.455 2.497 20 30 GEEDHM N#CCOC(=O)c1ccccc1SCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826381969 609297831 /nfs/dbraw/zinc/29/78/31/609297831.db2.gz IDOPZLRKNJGQDK-UHFFFAOYSA-N -1 3 394.416 2.278 20 30 GEEDHM N#CCOC(=O)c1ccccc1SCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826381969 609297833 /nfs/dbraw/zinc/29/78/33/609297833.db2.gz IDOPZLRKNJGQDK-UHFFFAOYSA-N -1 3 394.416 2.278 20 30 GEEDHM CCCCCNC(=S)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825275936 609303695 /nfs/dbraw/zinc/30/36/95/609303695.db2.gz IRXHZBUXVZPXPI-UHFFFAOYSA-N -1 3 397.512 2.255 20 30 GEEDHM CCCCCNC(=S)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825275936 609303696 /nfs/dbraw/zinc/30/36/96/609303696.db2.gz IRXHZBUXVZPXPI-UHFFFAOYSA-N -1 3 397.512 2.255 20 30 GEEDHM Cc1nnc(SCc2nnc(-c3cccc(C#N)c3)o2)c(-c2nnn[n-]2)c1C ZINC000826337297 609308986 /nfs/dbraw/zinc/30/89/86/609308986.db2.gz JJVFNWLMGTUZLG-UHFFFAOYSA-N -1 3 391.420 2.488 20 30 GEEDHM Cc1nnc(SCc2nnc(-c3cccc(C#N)c3)o2)c(-c2nn[n-]n2)c1C ZINC000826337297 609308988 /nfs/dbraw/zinc/30/89/88/609308988.db2.gz JJVFNWLMGTUZLG-UHFFFAOYSA-N -1 3 391.420 2.488 20 30 GEEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)cn1 ZINC000826384669 609346978 /nfs/dbraw/zinc/34/69/78/609346978.db2.gz FCVIKBYGFUHBSA-UHFFFAOYSA-N -1 3 385.181 2.253 20 30 GEEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)cn1 ZINC000826384669 609346980 /nfs/dbraw/zinc/34/69/80/609346980.db2.gz FCVIKBYGFUHBSA-UHFFFAOYSA-N -1 3 385.181 2.253 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000826186336 609408934 /nfs/dbraw/zinc/40/89/34/609408934.db2.gz OFAKHEXLQWUOOU-INIZCTEOSA-N -1 3 389.419 2.354 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000826186336 609408936 /nfs/dbraw/zinc/40/89/36/609408936.db2.gz OFAKHEXLQWUOOU-INIZCTEOSA-N -1 3 389.419 2.354 20 30 GEEDHM CC(=O)N1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)c2ccccc2C1 ZINC000823972438 609412338 /nfs/dbraw/zinc/41/23/38/609412338.db2.gz BBSDDRQPMPOMBW-UHFFFAOYSA-N -1 3 375.436 2.113 20 30 GEEDHM CC(=O)N1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)c2ccccc2C1 ZINC000823972438 609412340 /nfs/dbraw/zinc/41/23/40/609412340.db2.gz BBSDDRQPMPOMBW-UHFFFAOYSA-N -1 3 375.436 2.113 20 30 GEEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCCOc1ccc(C#N)cc1 ZINC000826162066 609483598 /nfs/dbraw/zinc/48/35/98/609483598.db2.gz LYSCBUZYBJRMRA-UHFFFAOYSA-N -1 3 380.408 2.254 20 30 GEEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCCOc1ccc(C#N)cc1 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2.331 20 30 GEEDHM C[C@@H](CC#N)NC(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000290288485 532877534 /nfs/dbraw/zinc/87/75/34/532877534.db2.gz XTTPCUXZMIGZBK-QMMMGPOBSA-N -1 3 383.779 2.055 20 30 GEEDHM Cc1nnc(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)s1 ZINC000290310567 532877892 /nfs/dbraw/zinc/87/78/92/532877892.db2.gz YJLGWBZUQCLPBN-UHFFFAOYSA-N -1 3 387.284 2.002 20 30 GEEDHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416438360 532877262 /nfs/dbraw/zinc/87/72/62/532877262.db2.gz JXMRWKHHNLDGQE-JTQLQIEISA-N -1 3 389.271 2.331 20 30 GEEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc(OCC#N)cc1 ZINC000275959939 532886744 /nfs/dbraw/zinc/88/67/44/532886744.db2.gz BHMCEZSTGATXOJ-UHFFFAOYSA-N -1 3 380.447 2.224 20 30 GEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(F)(F)[C@@H](C)C2)ccc1F ZINC000292629034 532917122 /nfs/dbraw/zinc/91/71/22/532917122.db2.gz JTGVFKNMVXFHEA-NSHDSACASA-N -1 3 376.400 2.407 20 30 GEEDHM CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000736310156 598823136 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30 GEEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736310136 598867385 /nfs/dbraw/zinc/86/73/85/598867385.db2.gz VATORUVAHXYRMJ-MRXNPFEDSA-N -1 3 392.419 2.243 20 30 GEEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736308583 598868982 /nfs/dbraw/zinc/86/89/82/598868982.db2.gz FDSARGUIMKXTNT-KRWDZBQOSA-N -1 3 391.435 2.276 20 30 GEEDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)COc1cccc(C#N)c1 ZINC000736036465 598887294 /nfs/dbraw/zinc/88/72/94/598887294.db2.gz AXQFXWUPPCBVRZ-ZDUSSCGKSA-N -1 3 379.376 2.128 20 30 GEEDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)COc1cccc(C#N)c1 ZINC000736036465 598887296 /nfs/dbraw/zinc/88/72/96/598887296.db2.gz AXQFXWUPPCBVRZ-ZDUSSCGKSA-N -1 3 379.376 2.128 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896827 598896077 /nfs/dbraw/zinc/89/60/77/598896077.db2.gz KDULORIJLONTDR-ZGKFYVQTSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896827 598896078 /nfs/dbraw/zinc/89/60/78/598896078.db2.gz KDULORIJLONTDR-ZGKFYVQTSA-N -1 3 389.371 2.209 20 30 GEEDHM N#Cc1cc(NC(=O)CCc2nc(-c3ccsc3)no2)ccc1-c1nnn[n-]1 ZINC000737710022 598915707 /nfs/dbraw/zinc/91/57/07/598915707.db2.gz UFCVYLPDXDZHGN-UHFFFAOYSA-N -1 3 392.404 2.421 20 30 GEEDHM N#Cc1cc(NC(=O)CCc2nc(-c3ccsc3)no2)ccc1-c1nn[n-]n1 ZINC000737710022 598915709 /nfs/dbraw/zinc/91/57/09/598915709.db2.gz UFCVYLPDXDZHGN-UHFFFAOYSA-N -1 3 392.404 2.421 20 30 GEEDHM CCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000736637879 598916136 /nfs/dbraw/zinc/91/61/36/598916136.db2.gz SQCRLLFGCWYXLQ-UHFFFAOYSA-N -1 3 379.336 2.298 20 30 GEEDHM CCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000736637879 598916138 /nfs/dbraw/zinc/91/61/38/598916138.db2.gz SQCRLLFGCWYXLQ-UHFFFAOYSA-N -1 3 379.336 2.298 20 30 GEEDHM N#Cc1cc(NC(=O)c2ccc(OCC(F)(F)F)nc2)ccc1-c1nnn[n-]1 ZINC000737708322 598917171 /nfs/dbraw/zinc/91/71/71/598917171.db2.gz DYBYSKLEUQFLQU-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM N#Cc1cc(NC(=O)c2ccc(OCC(F)(F)F)nc2)ccc1-c1nn[n-]n1 ZINC000737708322 598917172 /nfs/dbraw/zinc/91/71/72/598917172.db2.gz DYBYSKLEUQFLQU-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM Cc1nn(C)c2nc(Cl)c(C=NNCc3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000822496284 607252911 /nfs/dbraw/zinc/25/29/11/607252911.db2.gz HYYMWGOOAZFOHO-UHFFFAOYSA-N -1 3 381.831 2.234 20 30 GEEDHM Cc1nn(C)c2nc(Cl)c(C=NNCc3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000822496284 607252912 /nfs/dbraw/zinc/25/29/12/607252912.db2.gz HYYMWGOOAZFOHO-UHFFFAOYSA-N -1 3 381.831 2.234 20 30 GEEDHM N#C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)CCN1Cc1ccccc1 ZINC000737678562 598919016 /nfs/dbraw/zinc/91/90/16/598919016.db2.gz JYZFUIRYRSQEQF-GOSISDBHSA-N -1 3 377.427 2.216 20 30 GEEDHM N#C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)CCN1Cc1ccccc1 ZINC000737678562 598919018 /nfs/dbraw/zinc/91/90/18/598919018.db2.gz JYZFUIRYRSQEQF-GOSISDBHSA-N -1 3 377.427 2.216 20 30 GEEDHM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735593583 598924501 /nfs/dbraw/zinc/92/45/01/598924501.db2.gz KPFYTDZVGRFTAE-HNNXBMFYSA-N -1 3 381.440 2.104 20 30 GEEDHM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735593583 598924503 /nfs/dbraw/zinc/92/45/03/598924503.db2.gz KPFYTDZVGRFTAE-HNNXBMFYSA-N -1 3 381.440 2.104 20 30 GEEDHM N#Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC000737705129 598923149 /nfs/dbraw/zinc/92/31/49/598923149.db2.gz MYYDKJHTDKPCNQ-UHFFFAOYSA-N -1 3 378.352 2.087 20 30 GEEDHM N#Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC000737705129 598923152 /nfs/dbraw/zinc/92/31/52/598923152.db2.gz MYYDKJHTDKPCNQ-UHFFFAOYSA-N -1 3 378.352 2.087 20 30 GEEDHM C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736101356 598928081 /nfs/dbraw/zinc/92/80/81/598928081.db2.gz NZHJEWNHLWUGRJ-GFCCVEGCSA-N -1 3 381.440 2.152 20 30 GEEDHM C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736101356 598928082 /nfs/dbraw/zinc/92/80/82/598928082.db2.gz NZHJEWNHLWUGRJ-GFCCVEGCSA-N -1 3 381.440 2.152 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1nc(C)nc(C)c1C#N ZINC000737031972 598938264 /nfs/dbraw/zinc/93/82/64/598938264.db2.gz GEJDUUZRWZZMPA-UHFFFAOYSA-N -1 3 383.437 2.325 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1nc(C)nc(C)c1C#N ZINC000737031972 598938266 /nfs/dbraw/zinc/93/82/66/598938266.db2.gz GEJDUUZRWZZMPA-UHFFFAOYSA-N -1 3 383.437 2.325 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc(C#N)cc1Cl ZINC000737301773 598950854 /nfs/dbraw/zinc/95/08/54/598950854.db2.gz UDWRGXBYMOJRAT-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc(C#N)cc1Cl ZINC000737301773 598950855 /nfs/dbraw/zinc/95/08/55/598950855.db2.gz UDWRGXBYMOJRAT-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM C=CCOc1ccccc1CNS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735436609 598957215 /nfs/dbraw/zinc/95/72/15/598957215.db2.gz PIKVXKOQDGTBIL-UHFFFAOYSA-N -1 3 385.449 2.218 20 30 GEEDHM C=CCOc1ccccc1CNS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735436609 598957216 /nfs/dbraw/zinc/95/72/16/598957216.db2.gz PIKVXKOQDGTBIL-UHFFFAOYSA-N -1 3 385.449 2.218 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735381370 599094940 /nfs/dbraw/zinc/09/49/40/599094940.db2.gz VAAVWTCSVNEPAK-GFCCVEGCSA-N -1 3 381.367 2.424 20 30 GEEDHM COc1cccc(NC(=S)NN=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000737140166 599127305 /nfs/dbraw/zinc/12/73/05/599127305.db2.gz PVLMUGKSKXQPGJ-UHFFFAOYSA-N -1 3 383.437 2.204 20 30 GEEDHM COc1cccc(NC(=S)NN=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000737140166 599127308 /nfs/dbraw/zinc/12/73/08/599127308.db2.gz PVLMUGKSKXQPGJ-UHFFFAOYSA-N -1 3 383.437 2.204 20 30 GEEDHM CC(=NNC(=S)NC(C)(C)C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735451178 599148204 /nfs/dbraw/zinc/14/82/04/599148204.db2.gz RREBGDIDXOJRID-UHFFFAOYSA-N -1 3 397.512 2.347 20 30 GEEDHM COc1ccc(C=CC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1-c1nnn[n-]1 ZINC000737080789 599155205 /nfs/dbraw/zinc/15/52/05/599155205.db2.gz HIGQXJHHHCOVQI-YCRREMRBSA-N -1 3 399.432 2.143 20 30 GEEDHM COc1ccc(C=CC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1-c1nn[n-]n1 ZINC000737080789 599155207 /nfs/dbraw/zinc/15/52/07/599155207.db2.gz HIGQXJHHHCOVQI-YCRREMRBSA-N -1 3 399.432 2.143 20 30 GEEDHM C=CCn1c(C)nnc1SCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000735443041 599158519 /nfs/dbraw/zinc/15/85/19/599158519.db2.gz NCZMWWKRQGWRDD-UHFFFAOYSA-N -1 3 381.425 2.295 20 30 GEEDHM C=CCn1c(C)nnc1SCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000735443041 599158521 /nfs/dbraw/zinc/15/85/21/599158521.db2.gz NCZMWWKRQGWRDD-UHFFFAOYSA-N -1 3 381.425 2.295 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737718123 599195191 /nfs/dbraw/zinc/19/51/91/599195191.db2.gz JVISBLUKMMAZNC-GOSISDBHSA-N -1 3 384.403 2.218 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737718123 599195194 /nfs/dbraw/zinc/19/51/94/599195194.db2.gz JVISBLUKMMAZNC-GOSISDBHSA-N -1 3 384.403 2.218 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)ccc1-c1nnn[n-]1 ZINC000737709832 599196094 /nfs/dbraw/zinc/19/60/94/599196094.db2.gz QXPBQCVZNUHCSJ-UHFFFAOYSA-N -1 3 383.755 2.481 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)ccc1-c1nn[n-]n1 ZINC000737709832 599196096 /nfs/dbraw/zinc/19/60/96/599196096.db2.gz QXPBQCVZNUHCSJ-UHFFFAOYSA-N -1 3 383.755 2.481 20 30 GEEDHM N#Cc1cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)ccc1-c1nnn[n-]1 ZINC000737708750 599197966 /nfs/dbraw/zinc/19/79/66/599197966.db2.gz IJUSEWXWSOCTDO-UHFFFAOYSA-N -1 3 387.403 2.113 20 30 GEEDHM N#Cc1cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)ccc1-c1nn[n-]n1 ZINC000737708750 599197970 /nfs/dbraw/zinc/19/79/70/599197970.db2.gz IJUSEWXWSOCTDO-UHFFFAOYSA-N -1 3 387.403 2.113 20 30 GEEDHM N#Cc1ccc(SCC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737722537 599216227 /nfs/dbraw/zinc/21/62/27/599216227.db2.gz KIAMVQNTNFTZRQ-UHFFFAOYSA-N -1 3 380.433 2.026 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822501152 607295512 /nfs/dbraw/zinc/29/55/12/607295512.db2.gz YGAOMZJMPPEQAL-UHFFFAOYSA-N -1 3 378.440 2.473 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822501152 607295513 /nfs/dbraw/zinc/29/55/13/607295513.db2.gz YGAOMZJMPPEQAL-UHFFFAOYSA-N -1 3 378.440 2.473 20 30 GEEDHM N#C[C@H]1COCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737681436 599281353 /nfs/dbraw/zinc/28/13/53/599281353.db2.gz DZGNBOCFWFXNGW-HNNXBMFYSA-N -1 3 376.376 2.024 20 30 GEEDHM N#C[C@H]1COCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737681436 599281355 /nfs/dbraw/zinc/28/13/55/599281355.db2.gz DZGNBOCFWFXNGW-HNNXBMFYSA-N -1 3 376.376 2.024 20 30 GEEDHM N#CCCn1ccc(NC(=O)NCCSCc2ccccc2-c2nnn[n-]2)n1 ZINC000822810634 599284524 /nfs/dbraw/zinc/28/45/24/599284524.db2.gz JXCJYEGXWVCGQP-UHFFFAOYSA-N -1 3 397.468 2.032 20 30 GEEDHM N#CCCn1ccc(NC(=O)NCCSCc2ccccc2-c2nn[n-]n2)n1 ZINC000822810634 599284526 /nfs/dbraw/zinc/28/45/26/599284526.db2.gz JXCJYEGXWVCGQP-UHFFFAOYSA-N -1 3 397.468 2.032 20 30 GEEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736338209 598254151 /nfs/dbraw/zinc/25/41/51/598254151.db2.gz PWLOKNOICIFXGY-UHFFFAOYSA-N -1 3 380.449 2.346 20 30 GEEDHM N#Cc1ccc(N2CCN(Cc3ccc(-c4nnn[n-]4)cc3F)CC2)c(F)c1 ZINC000737718969 598256731 /nfs/dbraw/zinc/25/67/31/598256731.db2.gz QTXVFVZTUWRSOP-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)CC2)c(F)c1 ZINC000737718969 598256732 /nfs/dbraw/zinc/25/67/32/598256732.db2.gz QTXVFVZTUWRSOP-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1ccc(F)c(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000737719487 598256849 /nfs/dbraw/zinc/25/68/49/598256849.db2.gz UZKSEKMXTRHDGP-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737232192 598272486 /nfs/dbraw/zinc/27/24/86/598272486.db2.gz YTLCHEKINCYLSF-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737232192 598272488 /nfs/dbraw/zinc/27/24/88/598272488.db2.gz YTLCHEKINCYLSF-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)c1 ZINC000737322263 598272884 /nfs/dbraw/zinc/27/28/84/598272884.db2.gz KUMPACYEWVCFAC-NSHDSACASA-N -1 3 394.464 2.452 20 30 GEEDHM Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)c1 ZINC000737322263 598272886 /nfs/dbraw/zinc/27/28/86/598272886.db2.gz KUMPACYEWVCFAC-NSHDSACASA-N -1 3 394.464 2.452 20 30 GEEDHM N#Cc1cccnc1NCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737727954 598323110 /nfs/dbraw/zinc/32/31/10/598323110.db2.gz VGCKVLRXZMQZTA-UHFFFAOYSA-N -1 3 399.871 2.185 20 30 GEEDHM N#Cc1cccnc1NCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737727954 598323112 /nfs/dbraw/zinc/32/31/12/598323112.db2.gz VGCKVLRXZMQZTA-UHFFFAOYSA-N -1 3 399.871 2.185 20 30 GEEDHM N#C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000737678449 598362138 /nfs/dbraw/zinc/36/21/38/598362138.db2.gz IEAVTLUEKMRAJN-KRWDZBQOSA-N -1 3 376.376 2.024 20 30 GEEDHM N#C[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000737678449 598362139 /nfs/dbraw/zinc/36/21/39/598362139.db2.gz IEAVTLUEKMRAJN-KRWDZBQOSA-N -1 3 376.376 2.024 20 30 GEEDHM COc1cccc(O)c1C=NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737140616 598439986 /nfs/dbraw/zinc/43/99/86/598439986.db2.gz GPZCVFSHXWRRID-NDENLUEZSA-N -1 3 379.424 2.064 20 30 GEEDHM COc1cccc(O)c1C=NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737140616 598439987 /nfs/dbraw/zinc/43/99/87/598439987.db2.gz GPZCVFSHXWRRID-NDENLUEZSA-N -1 3 379.424 2.064 20 30 GEEDHM N#CCOc1ccc(CN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1 ZINC000737696130 598537928 /nfs/dbraw/zinc/53/79/28/598537928.db2.gz OHBDLMACXBQJQL-UHFFFAOYSA-N -1 3 393.426 2.230 20 30 GEEDHM N#CCOc1cccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737698437 598578978 /nfs/dbraw/zinc/57/89/78/598578978.db2.gz YMKQROBCSZNNGU-GOSISDBHSA-N -1 3 389.419 2.377 20 30 GEEDHM CNC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000736876677 598639236 /nfs/dbraw/zinc/63/92/36/598639236.db2.gz BFZSKAUMTUUUBY-YFHOEESVSA-N -1 3 376.420 2.179 20 30 GEEDHM CNC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736876677 598639238 /nfs/dbraw/zinc/63/92/38/598639238.db2.gz BFZSKAUMTUUUBY-YFHOEESVSA-N -1 3 376.420 2.179 20 30 GEEDHM Cc1c(C(=O)C=Cc2ccc(S(C)(=O)=O)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202842 598640566 /nfs/dbraw/zinc/64/05/66/598640566.db2.gz OXZUISRTRYGCTH-YFHOEESVSA-N -1 3 397.460 2.222 20 30 GEEDHM Cc1c(C(=O)C=Cc2ccc(S(C)(=O)=O)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202842 598640567 /nfs/dbraw/zinc/64/05/67/598640567.db2.gz OXZUISRTRYGCTH-YFHOEESVSA-N -1 3 397.460 2.222 20 30 GEEDHM CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736625950 598687065 /nfs/dbraw/zinc/68/70/65/598687065.db2.gz HTFKOCUWWXXDSE-UHFFFAOYSA-N -1 3 389.368 2.044 20 30 GEEDHM C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735419014 598692655 /nfs/dbraw/zinc/69/26/55/598692655.db2.gz OOUZTNOVHFUOSA-UHFFFAOYSA-N -1 3 387.440 2.425 20 30 GEEDHM N#CCCN(Cc1ccccn1)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737693840 598753216 /nfs/dbraw/zinc/75/32/16/598753216.db2.gz KNELZDJANQMHHQ-UHFFFAOYSA-N -1 3 393.476 2.437 20 30 GEEDHM N#CCCN(Cc1ccccn1)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737693840 598753218 /nfs/dbraw/zinc/75/32/18/598753218.db2.gz KNELZDJANQMHHQ-UHFFFAOYSA-N -1 3 393.476 2.437 20 30 GEEDHM C[C@@H](C#N)CN(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000735505847 598760385 /nfs/dbraw/zinc/76/03/85/598760385.db2.gz ULJMMSYRKKQRCJ-NEPJUHHUSA-N -1 3 387.513 2.473 20 30 GEEDHM C[C@@H](C#N)CN(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000735505847 598760387 /nfs/dbraw/zinc/76/03/87/598760387.db2.gz ULJMMSYRKKQRCJ-NEPJUHHUSA-N -1 3 387.513 2.473 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(CCC#N)c1ccc(F)cc1 ZINC000737296737 599303904 /nfs/dbraw/zinc/30/39/04/599303904.db2.gz NQVBDKPDVWPPCF-UHFFFAOYSA-N -1 3 386.412 2.423 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CCC#N)c1ccc(F)cc1 ZINC000737296737 599303907 /nfs/dbraw/zinc/30/39/07/599303907.db2.gz NQVBDKPDVWPPCF-UHFFFAOYSA-N -1 3 386.412 2.423 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccc(C#N)cc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000826116813 607381236 /nfs/dbraw/zinc/38/12/36/607381236.db2.gz DXWWVXOFIARHJN-MRXNPFEDSA-N -1 3 377.360 2.118 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1ccc(C#N)cc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000826116813 607381238 /nfs/dbraw/zinc/38/12/38/607381238.db2.gz DXWWVXOFIARHJN-MRXNPFEDSA-N -1 3 377.360 2.118 20 30 GEEDHM C#CCCCNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819692308 599615545 /nfs/dbraw/zinc/61/55/45/599615545.db2.gz BJWPYXOGULQELP-UHFFFAOYSA-N -1 3 390.403 2.127 20 30 GEEDHM C#CCCCNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819692308 599615546 /nfs/dbraw/zinc/61/55/46/599615546.db2.gz BJWPYXOGULQELP-UHFFFAOYSA-N -1 3 390.403 2.127 20 30 GEEDHM N#CCc1cccc(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822814093 599657106 /nfs/dbraw/zinc/65/71/06/599657106.db2.gz BHOIGMHDWCFUFI-UHFFFAOYSA-N -1 3 387.359 2.340 20 30 GEEDHM N#CCc1cccc(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822814093 599657107 /nfs/dbraw/zinc/65/71/07/599657107.db2.gz BHOIGMHDWCFUFI-UHFFFAOYSA-N -1 3 387.359 2.340 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000826251118 607389273 /nfs/dbraw/zinc/38/92/73/607389273.db2.gz FQCUFOOKUNOIJQ-KRWDZBQOSA-N -1 3 388.387 2.009 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000826251118 607389275 /nfs/dbraw/zinc/38/92/75/607389275.db2.gz FQCUFOOKUNOIJQ-KRWDZBQOSA-N -1 3 388.387 2.009 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826257341 607390100 /nfs/dbraw/zinc/39/01/00/607390100.db2.gz YIEJIMSMJBMBNF-QGZVFWFLSA-N -1 3 388.387 2.009 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826257341 607390101 /nfs/dbraw/zinc/39/01/01/607390101.db2.gz YIEJIMSMJBMBNF-QGZVFWFLSA-N -1 3 388.387 2.009 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000824104854 607430907 /nfs/dbraw/zinc/43/09/07/607430907.db2.gz ZYPAFOUAKWWWNI-IBGZPJMESA-N -1 3 397.439 2.466 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000824104854 607430909 /nfs/dbraw/zinc/43/09/09/607430909.db2.gz ZYPAFOUAKWWWNI-IBGZPJMESA-N -1 3 397.439 2.466 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821577916 607457919 /nfs/dbraw/zinc/45/79/19/607457919.db2.gz DKHUONMJXGKUQK-JXMROGBWSA-N -1 3 395.394 2.369 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821577916 607457920 /nfs/dbraw/zinc/45/79/20/607457920.db2.gz DKHUONMJXGKUQK-JXMROGBWSA-N -1 3 395.394 2.369 20 30 GEEDHM COc1ccc(CN2CCN(c3ccc(C#N)cc3F)CC2)cc1-c1nnn[n-]1 ZINC000826195306 607493678 /nfs/dbraw/zinc/49/36/78/607493678.db2.gz OTTRJIGSDVDRNI-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM COc1ccc(CN2CCN(c3ccc(C#N)cc3F)CC2)cc1-c1nn[n-]n1 ZINC000826195306 607493679 /nfs/dbraw/zinc/49/36/79/607493679.db2.gz OTTRJIGSDVDRNI-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM COc1ccc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000826198557 607565691 /nfs/dbraw/zinc/56/56/91/607565691.db2.gz BVPLUOOCYBSUJJ-LBPRGKRZSA-N -1 3 377.408 2.307 20 30 GEEDHM COc1ccc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000826198557 607565693 /nfs/dbraw/zinc/56/56/93/607565693.db2.gz BVPLUOOCYBSUJJ-LBPRGKRZSA-N -1 3 377.408 2.307 20 30 GEEDHM CN(C[C@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1)C(=O)[O-] ZINC000739666171 602529720 /nfs/dbraw/zinc/52/97/20/602529720.db2.gz SNSVCCYIWPGJIJ-UKRRQHHQSA-N -1 3 379.420 2.155 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000826176325 607577267 /nfs/dbraw/zinc/57/72/67/607577267.db2.gz KOOYIGPBKLNAHH-UHFFFAOYSA-N -1 3 391.796 2.168 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000826176325 607577269 /nfs/dbraw/zinc/57/72/69/607577269.db2.gz KOOYIGPBKLNAHH-UHFFFAOYSA-N -1 3 391.796 2.168 20 30 GEEDHM C=CCN1CCC(NC(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)CC1 ZINC000738492409 602675680 /nfs/dbraw/zinc/67/56/80/602675680.db2.gz QRUUEKUFQFIYOH-UHFFFAOYSA-N -1 3 386.496 2.378 20 30 GEEDHM C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824641362 607586434 /nfs/dbraw/zinc/58/64/34/607586434.db2.gz VAZYKZDHPHVIOL-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000826280384 607691158 /nfs/dbraw/zinc/69/11/58/607691158.db2.gz ZVELMMITSXJFOU-UHFFFAOYSA-N -1 3 380.433 2.014 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000826280384 607691159 /nfs/dbraw/zinc/69/11/59/607691159.db2.gz ZVELMMITSXJFOU-UHFFFAOYSA-N -1 3 380.433 2.014 20 30 GEEDHM C[C@@](CNC(=O)[O-])(NCc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CC1 ZINC000824952970 605164006 /nfs/dbraw/zinc/16/40/06/605164006.db2.gz SDKCUWYUZQCBKZ-VLIAUNLRSA-N -1 3 379.420 2.250 20 30 GEEDHM C[C@](CNC(=O)[O-])(NCc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CC1 ZINC000824952968 605164055 /nfs/dbraw/zinc/16/40/55/605164055.db2.gz SDKCUWYUZQCBKZ-JLTOFOAXSA-N -1 3 379.420 2.250 20 30 GEEDHM C#CCN1CCC(C(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)CC1 ZINC000833364963 605378508 /nfs/dbraw/zinc/37/85/08/605378508.db2.gz WUBWPYMPQCPGCY-MRXNPFEDSA-N -1 3 393.281 2.426 20 30 GEEDHM N#Cc1cc2ccccc2nc1N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822823428 606056772 /nfs/dbraw/zinc/05/67/72/606056772.db2.gz PWARKGSKDIEHSS-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cc2ccccc2nc1N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822823428 606056775 /nfs/dbraw/zinc/05/67/75/606056775.db2.gz PWARKGSKDIEHSS-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000822822925 606136679 /nfs/dbraw/zinc/13/66/79/606136679.db2.gz IEDCLGQKHTVGGT-UHFFFAOYSA-N -1 3 388.796 2.249 20 30 GEEDHM N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000822822925 606136680 /nfs/dbraw/zinc/13/66/80/606136680.db2.gz IEDCLGQKHTVGGT-UHFFFAOYSA-N -1 3 388.796 2.249 20 30 GEEDHM C=CCNC(=O)COC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819750924 606236140 /nfs/dbraw/zinc/23/61/40/606236140.db2.gz KGPHPPIQTWCKLZ-UHFFFAOYSA-N -1 3 395.444 2.477 20 30 GEEDHM C=CCNC(=O)COC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819750924 606236141 /nfs/dbraw/zinc/23/61/41/606236141.db2.gz KGPHPPIQTWCKLZ-UHFFFAOYSA-N -1 3 395.444 2.477 20 30 GEEDHM CN(Cc1ccc(C#N)cc1)[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821610050 606315544 /nfs/dbraw/zinc/31/55/44/606315544.db2.gz YAFFVOHDVWKRPR-HNNXBMFYSA-N -1 3 379.449 2.037 20 30 GEEDHM CN(Cc1ccc(C#N)cc1)[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821610050 606315546 /nfs/dbraw/zinc/31/55/46/606315546.db2.gz YAFFVOHDVWKRPR-HNNXBMFYSA-N -1 3 379.449 2.037 20 30 GEEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000822801417 606432702 /nfs/dbraw/zinc/43/27/02/606432702.db2.gz JDQODISHRJMVKG-DLBZAZTESA-N -1 3 394.460 2.327 20 30 GEEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000822801417 606432703 /nfs/dbraw/zinc/43/27/03/606432703.db2.gz JDQODISHRJMVKG-DLBZAZTESA-N -1 3 394.460 2.327 20 30 GEEDHM N#Cc1ccccc1N1CCC(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822842506 606595137 /nfs/dbraw/zinc/59/51/37/606595137.db2.gz LNNCBNIVCPAFSE-UHFFFAOYSA-N -1 3 387.447 2.066 20 30 GEEDHM N#Cc1ccccc1N1CCC(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822842506 606595138 /nfs/dbraw/zinc/59/51/38/606595138.db2.gz LNNCBNIVCPAFSE-UHFFFAOYSA-N -1 3 387.447 2.066 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])cnc1NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822823149 606643171 /nfs/dbraw/zinc/64/31/71/606643171.db2.gz LTWWJTZTKUIHIO-UHFFFAOYSA-N -1 3 391.395 2.122 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])cnc1NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822823149 606643172 /nfs/dbraw/zinc/64/31/72/606643172.db2.gz LTWWJTZTKUIHIO-UHFFFAOYSA-N -1 3 391.395 2.122 20 30 GEEDHM N#CCOc1cc(F)ccc1N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822810437 606708816 /nfs/dbraw/zinc/70/88/16/606708816.db2.gz IJUXBBWVQOEBSH-ZDUSSCGKSA-N -1 3 399.411 2.187 20 30 GEEDHM N#CCOc1cc(F)ccc1N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822810437 606708817 /nfs/dbraw/zinc/70/88/17/606708817.db2.gz IJUXBBWVQOEBSH-ZDUSSCGKSA-N -1 3 399.411 2.187 20 30 GEEDHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccccc1C#N ZINC000820502779 606757975 /nfs/dbraw/zinc/75/79/75/606757975.db2.gz VSRLYVALGKBOMR-SECBINFHSA-N -1 3 398.329 2.201 20 30 GEEDHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccccc1C#N ZINC000820502779 606757976 /nfs/dbraw/zinc/75/79/76/606757976.db2.gz VSRLYVALGKBOMR-SECBINFHSA-N -1 3 398.329 2.201 20 30 GEEDHM O=C(C=NOCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1 ZINC000822936867 606838309 /nfs/dbraw/zinc/83/83/09/606838309.db2.gz XPOXQYUSLIINAK-UHFFFAOYSA-N -1 3 384.371 2.416 20 30 GEEDHM O=C(C=NOCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1 ZINC000822936867 606838310 /nfs/dbraw/zinc/83/83/10/606838310.db2.gz XPOXQYUSLIINAK-UHFFFAOYSA-N -1 3 384.371 2.416 20 30 GEEDHM C=CCn1c(SCc2ccccc2-c2nnn[n-]2)nnc1-c1cnccn1 ZINC000819763764 607016475 /nfs/dbraw/zinc/01/64/75/607016475.db2.gz CRWLEXCWHHLHQI-UHFFFAOYSA-N -1 3 377.437 2.394 20 30 GEEDHM C=CCn1c(SCc2ccccc2-c2nn[n-]n2)nnc1-c1cnccn1 ZINC000819763764 607016477 /nfs/dbraw/zinc/01/64/77/607016477.db2.gz CRWLEXCWHHLHQI-UHFFFAOYSA-N -1 3 377.437 2.394 20 30 GEEDHM CC(C)(C)[C@H](C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819899148 607025157 /nfs/dbraw/zinc/02/51/57/607025157.db2.gz ODDRZPSATFQOOU-NSHDSACASA-N -1 3 388.375 2.102 20 30 GEEDHM CC(C)(C)[C@H](C#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819899148 607025159 /nfs/dbraw/zinc/02/51/59/607025159.db2.gz ODDRZPSATFQOOU-NSHDSACASA-N -1 3 388.375 2.102 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)cn(C)c1=O ZINC000819745390 607077518 /nfs/dbraw/zinc/07/75/18/607077518.db2.gz APFLSZGZLKRZKM-UHFFFAOYSA-N -1 3 379.424 2.094 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)cn(C)c1=O ZINC000819745390 607077520 /nfs/dbraw/zinc/07/75/20/607077520.db2.gz APFLSZGZLKRZKM-UHFFFAOYSA-N -1 3 379.424 2.094 20 30 GEEDHM COC(=O)c1oc([C@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1C ZINC000821671258 607159542 /nfs/dbraw/zinc/15/95/42/607159542.db2.gz ONZHOVVFCGHOJV-QMMMGPOBSA-N -1 3 385.409 2.257 20 30 GEEDHM COC(=O)c1oc([C@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1C ZINC000821671258 607159544 /nfs/dbraw/zinc/15/95/44/607159544.db2.gz ONZHOVVFCGHOJV-QMMMGPOBSA-N -1 3 385.409 2.257 20 30 GEEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823888570 607773326 /nfs/dbraw/zinc/77/33/26/607773326.db2.gz QOYYCNILLVMSBI-SNVBAGLBSA-N -1 3 383.437 2.010 20 30 GEEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823888570 607773327 /nfs/dbraw/zinc/77/33/27/607773327.db2.gz QOYYCNILLVMSBI-SNVBAGLBSA-N -1 3 383.437 2.010 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cccc(N(C)C)n1 ZINC000823909711 607860300 /nfs/dbraw/zinc/86/03/00/607860300.db2.gz OFMXSVUSROKJRF-UHFFFAOYSA-N -1 3 392.467 2.226 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cccc(N(C)C)n1 ZINC000823909711 607860301 /nfs/dbraw/zinc/86/03/01/607860301.db2.gz OFMXSVUSROKJRF-UHFFFAOYSA-N -1 3 392.467 2.226 20 30 GEEDHM N#Cc1ccc(-c2ccn(C[C@H](O)COc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000826384048 607868735 /nfs/dbraw/zinc/86/87/35/607868735.db2.gz DLZXKMWZSGDLQN-KRWDZBQOSA-N -1 3 387.403 2.042 20 30 GEEDHM C=C(C)[C@@H](CC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1)OCC ZINC000823874841 607882532 /nfs/dbraw/zinc/88/25/32/607882532.db2.gz ZIMFDVZDKFFPCO-GOSISDBHSA-N -1 3 384.484 2.277 20 30 GEEDHM C=C(C)[C@@H](CC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1)OCC ZINC000823874841 607882533 /nfs/dbraw/zinc/88/25/33/607882533.db2.gz ZIMFDVZDKFFPCO-GOSISDBHSA-N -1 3 384.484 2.277 20 30 GEEDHM C=C(C)[C@H](CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)OCC ZINC000823873084 607892794 /nfs/dbraw/zinc/89/27/94/607892794.db2.gz HZAALFWJZJAXLC-KRWDZBQOSA-N -1 3 388.447 2.026 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826385315 607950953 /nfs/dbraw/zinc/95/09/53/607950953.db2.gz GRISAAAREFSNFQ-SFHVURJKSA-N -1 3 385.431 2.296 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826385315 607950954 /nfs/dbraw/zinc/95/09/54/607950954.db2.gz GRISAAAREFSNFQ-SFHVURJKSA-N -1 3 385.431 2.296 20 30 GEEDHM C#CC[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000823837675 607956140 /nfs/dbraw/zinc/95/61/40/607956140.db2.gz FMLJRTRUXMOJLN-MRXNPFEDSA-N -1 3 377.404 2.135 20 30 GEEDHM C#CC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000823837675 607956141 /nfs/dbraw/zinc/95/61/41/607956141.db2.gz FMLJRTRUXMOJLN-MRXNPFEDSA-N -1 3 377.404 2.135 20 30 GEEDHM COc1ccc(CON=CC(=O)Nc2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000826206678 607972600 /nfs/dbraw/zinc/97/26/00/607972600.db2.gz GXLOPFWQOBAGCL-UHFFFAOYSA-N -1 3 388.334 2.295 20 30 GEEDHM COc1ccc(CON=CC(=O)Nc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000826206678 607972601 /nfs/dbraw/zinc/97/26/01/607972601.db2.gz GXLOPFWQOBAGCL-UHFFFAOYSA-N -1 3 388.334 2.295 20 30 GEEDHM COc1ccc(CON=CC(=O)Nc2cc(F)ccc2C)cc1-c1nnn[n-]1 ZINC000826206623 607972698 /nfs/dbraw/zinc/97/26/98/607972698.db2.gz DUNAMDQUCLSKIA-UHFFFAOYSA-N -1 3 384.371 2.464 20 30 GEEDHM COc1ccc(CON=CC(=O)Nc2cc(F)ccc2C)cc1-c1nn[n-]n1 ZINC000826206623 607972699 /nfs/dbraw/zinc/97/26/99/607972699.db2.gz DUNAMDQUCLSKIA-UHFFFAOYSA-N -1 3 384.371 2.464 20 30 GEEDHM C=C[C@@H](CC(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883043 607980609 /nfs/dbraw/zinc/98/06/09/607980609.db2.gz JGFNKAWJWWWMBL-INIZCTEOSA-N -1 3 391.431 2.386 20 30 GEEDHM C=C[C@@H](CC(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883043 607980610 /nfs/dbraw/zinc/98/06/10/607980610.db2.gz JGFNKAWJWWWMBL-INIZCTEOSA-N -1 3 391.431 2.386 20 30 GEEDHM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000826212950 608027922 /nfs/dbraw/zinc/02/79/22/608027922.db2.gz GTYUCKITNLKIEU-GFCCVEGCSA-N -1 3 376.376 2.252 20 30 GEEDHM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000826212950 608027923 /nfs/dbraw/zinc/02/79/23/608027923.db2.gz GTYUCKITNLKIEU-GFCCVEGCSA-N -1 3 376.376 2.252 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)CCC(=O)OCC ZINC000823909725 608033268 /nfs/dbraw/zinc/03/32/68/608033268.db2.gz ONVDIZIMDRVLOF-CQSZACIVSA-N -1 3 386.456 2.296 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)CCC(=O)OCC ZINC000823909725 608033269 /nfs/dbraw/zinc/03/32/69/608033269.db2.gz ONVDIZIMDRVLOF-CQSZACIVSA-N -1 3 386.456 2.296 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000826386698 608049495 /nfs/dbraw/zinc/04/94/95/608049495.db2.gz PAXVXCBPOHXKOF-KRWDZBQOSA-N -1 3 375.392 2.344 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000826386698 608049496 /nfs/dbraw/zinc/04/94/96/608049496.db2.gz PAXVXCBPOHXKOF-KRWDZBQOSA-N -1 3 375.392 2.344 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(CCOc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826386910 608066879 /nfs/dbraw/zinc/06/68/79/608066879.db2.gz YEHHMNJCCNIYOX-IBGZPJMESA-N -1 3 376.420 2.191 20 30 GEEDHM COc1ccc(CN2CCO[C@H](c3cccc(C#N)c3)C2)cc1-c1nnn[n-]1 ZINC000826195172 608067506 /nfs/dbraw/zinc/06/75/06/608067506.db2.gz KKCWDCDDKLPTAP-IBGZPJMESA-N -1 3 376.420 2.320 20 30 GEEDHM COc1ccc(CN2CCO[C@H](c3cccc(C#N)c3)C2)cc1-c1nn[n-]n1 ZINC000826195172 608067507 /nfs/dbraw/zinc/06/75/07/608067507.db2.gz KKCWDCDDKLPTAP-IBGZPJMESA-N -1 3 376.420 2.320 20 30 GEEDHM N#Cc1cc(F)ccc1NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826384155 608073436 /nfs/dbraw/zinc/07/34/36/608073436.db2.gz JBSGITJCWUXFOA-KRWDZBQOSA-N -1 3 393.382 2.483 20 30 GEEDHM N#Cc1cc(F)ccc1NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826384155 608073437 /nfs/dbraw/zinc/07/34/37/608073437.db2.gz JBSGITJCWUXFOA-KRWDZBQOSA-N -1 3 393.382 2.483 20 30 GEEDHM COCC#CCOC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826146833 608103895 /nfs/dbraw/zinc/10/38/95/608103895.db2.gz FKYICRSUXYFKNZ-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM COC[C@@H](C#N)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826147722 608146766 /nfs/dbraw/zinc/14/67/66/608146766.db2.gz JMDGYPWCHBEJBI-QGZVFWFLSA-N -1 3 379.376 2.141 20 30 GEEDHM COC[C@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826148086 608147277 /nfs/dbraw/zinc/14/72/77/608147277.db2.gz YFDSIYNOYCHNDE-KRWDZBQOSA-N -1 3 379.376 2.141 20 30 GEEDHM COC[C@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826148086 608147278 /nfs/dbraw/zinc/14/72/78/608147278.db2.gz YFDSIYNOYCHNDE-KRWDZBQOSA-N -1 3 379.376 2.141 20 30 GEEDHM N#Cc1cccc(OCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826387258 608162024 /nfs/dbraw/zinc/16/20/24/608162024.db2.gz MQFIQQRUFWITDV-UHFFFAOYSA-N -1 3 399.754 2.317 20 30 GEEDHM N#Cc1cccc(OCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826387258 608162025 /nfs/dbraw/zinc/16/20/25/608162025.db2.gz MQFIQQRUFWITDV-UHFFFAOYSA-N -1 3 399.754 2.317 20 30 GEEDHM N#Cc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826385028 608163361 /nfs/dbraw/zinc/16/33/61/608163361.db2.gz UNQVSSOVIZJING-UHFFFAOYSA-N -1 3 383.755 2.481 20 30 GEEDHM N#Cc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826385028 608163362 /nfs/dbraw/zinc/16/33/62/608163362.db2.gz UNQVSSOVIZJING-UHFFFAOYSA-N -1 3 383.755 2.481 20 30 GEEDHM Cc1ccc(C#N)c(N2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)n1 ZINC000826281178 608280478 /nfs/dbraw/zinc/28/04/78/608280478.db2.gz HLKGMKFPSMGFRV-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM Cc1ccc(C#N)c(N2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)n1 ZINC000826281178 608280479 /nfs/dbraw/zinc/28/04/79/608280479.db2.gz HLKGMKFPSMGFRV-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM CS(=O)(=O)c1cccc(Cl)c1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826224205 608289935 /nfs/dbraw/zinc/28/99/35/608289935.db2.gz UMHQPNFZBTXKHT-UHFFFAOYSA-N -1 3 376.829 2.370 20 30 GEEDHM CS(=O)(=O)c1cccc(Cl)c1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826224205 608289937 /nfs/dbraw/zinc/28/99/37/608289937.db2.gz UMHQPNFZBTXKHT-UHFFFAOYSA-N -1 3 376.829 2.370 20 30 GEEDHM C=CC[C@@H](NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)c1ccncc1 ZINC000823888498 608332632 /nfs/dbraw/zinc/33/26/32/608332632.db2.gz OMDCDMCGSFWMBN-MRXNPFEDSA-N -1 3 388.428 2.138 20 30 GEEDHM C=CC[C@@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)c1ccncc1 ZINC000823888498 608332634 /nfs/dbraw/zinc/33/26/34/608332634.db2.gz OMDCDMCGSFWMBN-MRXNPFEDSA-N -1 3 388.428 2.138 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000826243161 608336341 /nfs/dbraw/zinc/33/63/41/608336341.db2.gz XDBSTGRENRRDJU-UHFFFAOYSA-N -1 3 387.396 2.403 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000826243161 608336343 /nfs/dbraw/zinc/33/63/43/608336343.db2.gz XDBSTGRENRRDJU-UHFFFAOYSA-N -1 3 387.396 2.403 20 30 GEEDHM N#Cc1ccnc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1[N+](=O)[O-] ZINC000826387666 608410698 /nfs/dbraw/zinc/41/06/98/608410698.db2.gz JMYWJWAOZOIGOW-UHFFFAOYSA-N -1 3 388.351 2.044 20 30 GEEDHM N#Cc1ccnc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1[N+](=O)[O-] ZINC000826387666 608410700 /nfs/dbraw/zinc/41/07/00/608410700.db2.gz JMYWJWAOZOIGOW-UHFFFAOYSA-N -1 3 388.351 2.044 20 30 GEEDHM C=CCOc1cccnc1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823932204 608457491 /nfs/dbraw/zinc/45/74/91/608457491.db2.gz SAQSJGKXJYUXNN-UHFFFAOYSA-N -1 3 381.392 2.452 20 30 GEEDHM C=CCOc1cccnc1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823932204 608457492 /nfs/dbraw/zinc/45/74/92/608457492.db2.gz SAQSJGKXJYUXNN-UHFFFAOYSA-N -1 3 381.392 2.452 20 30 GEEDHM N#Cc1ccc([C@H](C(N)=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384831 608460320 /nfs/dbraw/zinc/46/03/20/608460320.db2.gz LFFAKNINRNSVQN-LJQANCHMSA-N -1 3 385.431 2.054 20 30 GEEDHM N#Cc1ccc([C@H](C(N)=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384831 608460322 /nfs/dbraw/zinc/46/03/22/608460322.db2.gz LFFAKNINRNSVQN-LJQANCHMSA-N -1 3 385.431 2.054 20 30 GEEDHM Cc1cc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)nn1CCC#N ZINC000826270254 608475762 /nfs/dbraw/zinc/47/57/62/608475762.db2.gz RWUPTEYFBNBVFU-UHFFFAOYSA-N -1 3 382.453 2.157 20 30 GEEDHM Cc1cc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)nn1CCC#N ZINC000826270254 608475763 /nfs/dbraw/zinc/47/57/63/608475763.db2.gz RWUPTEYFBNBVFU-UHFFFAOYSA-N -1 3 382.453 2.157 20 30 GEEDHM N#C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1nccn1Cc1ccccc1 ZINC000826379589 608494873 /nfs/dbraw/zinc/49/48/73/608494873.db2.gz WHSRIXQDRJXZIF-KRWDZBQOSA-N -1 3 384.403 2.357 20 30 GEEDHM N#C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nccn1Cc1ccccc1 ZINC000826379589 608494874 /nfs/dbraw/zinc/49/48/74/608494874.db2.gz WHSRIXQDRJXZIF-KRWDZBQOSA-N -1 3 384.403 2.357 20 30 GEEDHM C=CCOc1ccccc1CN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823931593 608508192 /nfs/dbraw/zinc/50/81/92/608508192.db2.gz AEXGBBGMILXBGZ-UHFFFAOYSA-N -1 3 377.452 2.149 20 30 GEEDHM C=CCOc1ccccc1CN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823931593 608508193 /nfs/dbraw/zinc/50/81/93/608508193.db2.gz AEXGBBGMILXBGZ-UHFFFAOYSA-N -1 3 377.452 2.149 20 30 GEEDHM COc1cc(O)c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1OC ZINC000826181365 608534303 /nfs/dbraw/zinc/53/43/03/608534303.db2.gz WGCNMKVUZOADFV-UHFFFAOYSA-N -1 3 375.776 2.084 20 30 GEEDHM C=CC[C@H](CO)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823887858 608560751 /nfs/dbraw/zinc/56/07/51/608560751.db2.gz ADPPNLWQSVHUTP-HNNXBMFYSA-N -1 3 380.452 2.189 20 30 GEEDHM C#CCOc1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000823856379 608637145 /nfs/dbraw/zinc/63/71/45/608637145.db2.gz QCVAZYADWXESFA-UHFFFAOYSA-N -1 3 392.438 2.340 20 30 GEEDHM N#Cc1ccc(CN2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)o1 ZINC000826384693 608655016 /nfs/dbraw/zinc/65/50/16/608655016.db2.gz GBJVOAYDQDIWMP-UHFFFAOYSA-N -1 3 386.419 2.202 20 30 GEEDHM N#Cc1ccc(CN2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)o1 ZINC000826384693 608655017 /nfs/dbraw/zinc/65/50/17/608655017.db2.gz GBJVOAYDQDIWMP-UHFFFAOYSA-N -1 3 386.419 2.202 20 30 GEEDHM C#CCCCCCC(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823840769 609135136 /nfs/dbraw/zinc/13/51/36/609135136.db2.gz FMCJKJKEQDNYQO-KRWDZBQOSA-N -1 3 381.436 2.489 20 30 GEEDHM C#CCCCCCC(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823840769 609135137 /nfs/dbraw/zinc/13/51/37/609135137.db2.gz FMCJKJKEQDNYQO-KRWDZBQOSA-N -1 3 381.436 2.489 20 30 GEEDHM C[C@H](C#N)Oc1ccccc1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824034128 609163639 /nfs/dbraw/zinc/16/36/39/609163639.db2.gz HGBRNKFMJUQFAE-CYBMUJFWSA-N -1 3 393.407 2.358 20 30 GEEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825323309 609194986 /nfs/dbraw/zinc/19/49/86/609194986.db2.gz SJDZDYGUWKSCGL-GOSISDBHSA-N -1 3 376.420 2.211 20 30 GEEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825323309 609194988 /nfs/dbraw/zinc/19/49/88/609194988.db2.gz SJDZDYGUWKSCGL-GOSISDBHSA-N -1 3 376.420 2.211 20 30 GEEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826383037 609293143 /nfs/dbraw/zinc/29/31/43/609293143.db2.gz HOWWOGIVYILFJA-UHFFFAOYSA-N -1 3 388.366 2.244 20 30 GEEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826383037 609293144 /nfs/dbraw/zinc/29/31/44/609293144.db2.gz HOWWOGIVYILFJA-UHFFFAOYSA-N -1 3 388.366 2.244 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H](NCc3ccc(-c4nn[n-]n4)cc3F)C2=O)cc1 ZINC000826385678 609415776 /nfs/dbraw/zinc/41/57/76/609415776.db2.gz WRRRSRYRECSHPG-SFHVURJKSA-N -1 3 391.410 2.163 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H](Sc3ccc(-c4nnn[n-]4)cn3)C2=O)cc1 ZINC000826385368 609419232 /nfs/dbraw/zinc/41/92/32/609419232.db2.gz JCZMVAMTILYCIN-OAHLLOKOSA-N -1 3 377.433 2.421 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H](Sc3ccc(-c4nn[n-]n4)cn3)C2=O)cc1 ZINC000826385368 609419235 /nfs/dbraw/zinc/41/92/35/609419235.db2.gz JCZMVAMTILYCIN-OAHLLOKOSA-N -1 3 377.433 2.421 20 30 GEEDHM C=CCN(CCc1ccco1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823909939 609449862 /nfs/dbraw/zinc/44/98/62/609449862.db2.gz SPDQJTYCKHCPNG-UHFFFAOYSA-N -1 3 395.391 2.157 20 30 GEEDHM C=CCN(CCc1ccco1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823909939 609449864 /nfs/dbraw/zinc/44/98/64/609449864.db2.gz SPDQJTYCKHCPNG-UHFFFAOYSA-N -1 3 395.391 2.157 20 30 GEEDHM C[C@H](C#N)Oc1ccccc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824035547 609511880 /nfs/dbraw/zinc/51/18/80/609511880.db2.gz ZSNUCIKWKYHZQZ-CXAGYDPISA-N -1 3 389.419 2.375 20 30 GEEDHM C[C@H](C#N)Oc1ccccc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824035547 609511883 /nfs/dbraw/zinc/51/18/83/609511883.db2.gz ZSNUCIKWKYHZQZ-CXAGYDPISA-N -1 3 389.419 2.375 20 30 GEEDHM N#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826382067 609537113 /nfs/dbraw/zinc/53/71/13/609537113.db2.gz MYHMIWAUUJFTHO-UHFFFAOYSA-N -1 3 392.828 2.218 20 30 GEEDHM N#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826382067 609537114 /nfs/dbraw/zinc/53/71/14/609537114.db2.gz MYHMIWAUUJFTHO-UHFFFAOYSA-N -1 3 392.828 2.218 20 30 GEEDHM Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826256927 609543586 /nfs/dbraw/zinc/54/35/86/609543586.db2.gz GRWBBJQGRXVDJZ-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826256927 609543587 /nfs/dbraw/zinc/54/35/87/609543587.db2.gz GRWBBJQGRXVDJZ-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000826386104 609545827 /nfs/dbraw/zinc/54/58/27/609545827.db2.gz PAOVMLCLDDJBNM-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000826386104 609545828 /nfs/dbraw/zinc/54/58/28/609545828.db2.gz PAOVMLCLDDJBNM-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM C#CCCCCCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000823841135 609568588 /nfs/dbraw/zinc/56/85/88/609568588.db2.gz JBIFBRKKXPHHTH-UHFFFAOYSA-N -1 3 382.468 2.350 20 30 GEEDHM C#CCCCCCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000823841135 609568590 /nfs/dbraw/zinc/56/85/90/609568590.db2.gz JBIFBRKKXPHHTH-UHFFFAOYSA-N -1 3 382.468 2.350 20 30 GEEDHM Cc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)nn1-c1cccc(C#N)c1 ZINC000826258489 609580809 /nfs/dbraw/zinc/58/08/09/609580809.db2.gz MZCHTCBICQGQCG-UHFFFAOYSA-N -1 3 396.414 2.435 20 30 GEEDHM Cc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)nn1-c1cccc(C#N)c1 ZINC000826258489 609580811 /nfs/dbraw/zinc/58/08/11/609580811.db2.gz MZCHTCBICQGQCG-UHFFFAOYSA-N -1 3 396.414 2.435 20 30 GEEDHM C=C(Br)COC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000823874376 609626609 /nfs/dbraw/zinc/62/66/09/609626609.db2.gz VRDRWYMGMREFDL-UHFFFAOYSA-N -1 3 389.213 2.426 20 30 GEEDHM C=C(Br)COC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000823874376 609626611 /nfs/dbraw/zinc/62/66/11/609626611.db2.gz VRDRWYMGMREFDL-UHFFFAOYSA-N -1 3 389.213 2.426 20 30 GEEDHM C=CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC ZINC000451990292 650162386 /nfs/dbraw/zinc/16/23/86/650162386.db2.gz JLPGUOZEWIOHRB-LBPRGKRZSA-N -1 3 376.818 2.424 20 30 GEEDHM C=CC(C)(C)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000455383555 650302114 /nfs/dbraw/zinc/30/21/14/650302114.db2.gz KSMGMNUCOZHXGE-UHFFFAOYSA-N -1 3 377.869 2.269 20 30 GEEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000508066294 650473118 /nfs/dbraw/zinc/47/31/18/650473118.db2.gz AXFAWQKAAFQTBB-ZDUSSCGKSA-N -1 3 395.250 2.194 20 30 GEEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@](C)(C#N)CCSC ZINC000508072158 650473552 /nfs/dbraw/zinc/47/35/52/650473552.db2.gz FEKUXOFYANXWTK-AWEZNQCLSA-N -1 3 376.887 2.440 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)c(C(F)(F)F)c1 ZINC000533799164 650765726 /nfs/dbraw/zinc/76/57/26/650765726.db2.gz ZENYCDGTDIAWAI-MRVPVSSYSA-N -1 3 376.278 2.169 20 30 GEEDHM Cn1cc(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)nc1Cl ZINC000124486114 643687113 /nfs/dbraw/zinc/68/71/13/643687113.db2.gz UIPKMBZCDWATGA-UHFFFAOYSA-N -1 3 377.775 2.422 20 30 GEEDHM N#CCN1CCC(C[N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000544350531 650939581 /nfs/dbraw/zinc/93/95/81/650939581.db2.gz GAERWUCZQWKIEL-UHFFFAOYSA-N -1 3 390.278 2.102 20 30 GEEDHM Cc1nc([C@H]([N-]S(=O)(=O)N(C)C[C@@H](C)C#N)c2ccc(Cl)cc2)no1 ZINC000281697002 646789302 /nfs/dbraw/zinc/78/93/02/646789302.db2.gz BEURVZAXLAPUSE-IINYFYTJSA-N -1 3 383.861 2.047 20 30 GEEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H](O)C(F)F ZINC000295742754 647238751 /nfs/dbraw/zinc/23/87/51/647238751.db2.gz NOFDQZAQBJYUML-MWLCHTKSSA-N -1 3 383.214 2.004 20 30 GEEDHM CSc1cccc(N(C)C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000726152732 651487187 /nfs/dbraw/zinc/48/71/87/651487187.db2.gz WJDZRLXEJIZISF-UHFFFAOYSA-N -1 3 375.475 2.110 20 30 GEEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NNC2=CS(=O)(=O)CC2)cc1 ZINC000727061774 651509827 /nfs/dbraw/zinc/50/98/27/651509827.db2.gz NRJYNMKFDOZRJG-UHFFFAOYSA-N -1 3 379.463 2.074 20 30 GEEDHM CSCc1cccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000731587118 651629272 /nfs/dbraw/zinc/62/92/72/651629272.db2.gz SWBOBXSAFIDFNA-UHFFFAOYSA-N -1 3 375.475 2.227 20 30 GEEDHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000611105766 651706942 /nfs/dbraw/zinc/70/69/42/651706942.db2.gz MGFJDLMIQOPRON-CYBMUJFWSA-N -1 3 380.470 2.410 20 30 GEEDHM CC(CS(=O)(=O)c1ccc(C)cc1)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000734295372 651741291 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CN1C(=O)CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1cccs1 ZINC000367108977 532922851 /nfs/dbraw/zinc/92/28/51/532922851.db2.gz SMZAKHXUVNJPSM-ABAIWWIYSA-N -1 3 381.504 2.322 20 30 GEEDHM C#Cc1ccc(C(=O)Nc2c(C)c(C)nn2-c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735390152 598839350 /nfs/dbraw/zinc/83/93/50/598839350.db2.gz PXMYEFPYTGAWLH-UHFFFAOYSA-N -1 3 384.403 2.298 20 30 GEEDHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccc(C#N)cn2)c1C ZINC000737503801 598840497 /nfs/dbraw/zinc/84/04/97/598840497.db2.gz LIGZIMBRAZTLIM-UHFFFAOYSA-N -1 3 385.391 2.188 20 30 GEEDHM N#Cc1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1-c1nnn[n-]1 ZINC000737716901 598914356 /nfs/dbraw/zinc/91/43/56/598914356.db2.gz WNJILEAXCYVLDO-CYBMUJFWSA-N -1 3 387.403 2.268 20 30 GEEDHM N#Cc1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1-c1nn[n-]n1 ZINC000737716901 598914358 /nfs/dbraw/zinc/91/43/58/598914358.db2.gz WNJILEAXCYVLDO-CYBMUJFWSA-N -1 3 387.403 2.268 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000735627656 598924464 /nfs/dbraw/zinc/92/44/64/598924464.db2.gz NRFCZOSLSNAUQF-ZDUSSCGKSA-N -1 3 397.439 2.324 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000735627656 598924466 /nfs/dbraw/zinc/92/44/66/598924466.db2.gz NRFCZOSLSNAUQF-ZDUSSCGKSA-N -1 3 397.439 2.324 20 30 GEEDHM CCc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1-c1ccccn1 ZINC000736672105 598925357 /nfs/dbraw/zinc/92/53/57/598925357.db2.gz YOOXCTFVASXPHP-UHFFFAOYSA-N -1 3 385.391 2.134 20 30 GEEDHM CCc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1-c1ccccn1 ZINC000736672105 598925359 /nfs/dbraw/zinc/92/53/59/598925359.db2.gz YOOXCTFVASXPHP-UHFFFAOYSA-N -1 3 385.391 2.134 20 30 GEEDHM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(OC)c1OC ZINC000737071659 598926185 /nfs/dbraw/zinc/92/61/85/598926185.db2.gz LBFSWBVRQCWKAT-UHFFFAOYSA-N -1 3 380.364 2.016 20 30 GEEDHM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(OC)c1OC ZINC000737071659 598926187 /nfs/dbraw/zinc/92/61/87/598926187.db2.gz LBFSWBVRQCWKAT-UHFFFAOYSA-N -1 3 380.364 2.016 20 30 GEEDHM C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736103041 598928120 /nfs/dbraw/zinc/92/81/20/598928120.db2.gz VSTLZHQOLZKBMJ-LBPRGKRZSA-N -1 3 381.440 2.152 20 30 GEEDHM C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736103041 598928122 /nfs/dbraw/zinc/92/81/22/598928122.db2.gz VSTLZHQOLZKBMJ-LBPRGKRZSA-N -1 3 381.440 2.152 20 30 GEEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000819772618 607254123 /nfs/dbraw/zinc/25/41/23/607254123.db2.gz HPYXZAXAMYKRPS-FQEVSTJZSA-N -1 3 391.479 2.406 20 30 GEEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000819772618 607254124 /nfs/dbraw/zinc/25/41/24/607254124.db2.gz HPYXZAXAMYKRPS-FQEVSTJZSA-N -1 3 391.479 2.406 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000737024939 598970369 /nfs/dbraw/zinc/97/03/69/598970369.db2.gz VRPIVGFXFKPCKR-IBGZPJMESA-N -1 3 384.440 2.233 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000737024939 598970371 /nfs/dbraw/zinc/97/03/71/598970371.db2.gz VRPIVGFXFKPCKR-IBGZPJMESA-N -1 3 384.440 2.233 20 30 GEEDHM Cc1c2c(nc(S[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)c1C#N)CCC2 ZINC000737203504 599011364 /nfs/dbraw/zinc/01/13/64/599011364.db2.gz UXTHQCGNFVTCLO-MRXNPFEDSA-N -1 3 391.460 2.249 20 30 GEEDHM Cc1c2c(nc(S[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)c1C#N)CCC2 ZINC000737203504 599011365 /nfs/dbraw/zinc/01/13/65/599011365.db2.gz UXTHQCGNFVTCLO-MRXNPFEDSA-N -1 3 391.460 2.249 20 30 GEEDHM C=CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccncc1 ZINC000735409717 599034012 /nfs/dbraw/zinc/03/40/12/599034012.db2.gz JHUYCZCVKADOEQ-OAHLLOKOSA-N -1 3 397.826 2.287 20 30 GEEDHM C=CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccncc1 ZINC000735409717 599034015 /nfs/dbraw/zinc/03/40/15/599034015.db2.gz JHUYCZCVKADOEQ-OAHLLOKOSA-N -1 3 397.826 2.287 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000735418112 599059468 /nfs/dbraw/zinc/05/94/68/599059468.db2.gz ASRZXBZMHOJJNC-BRWVUGGUSA-N -1 3 382.468 2.378 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000735418112 599059471 /nfs/dbraw/zinc/05/94/71/599059471.db2.gz ASRZXBZMHOJJNC-BRWVUGGUSA-N -1 3 382.468 2.378 20 30 GEEDHM O=C1C(=Cc2cnc(N3CCOCC3)s2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503559 599114617 /nfs/dbraw/zinc/11/46/17/599114617.db2.gz GXFDSFBDQYDGON-RAXLEYEMSA-N -1 3 394.460 2.372 20 30 GEEDHM O=C1C(=Cc2cnc(N3CCOCC3)s2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503559 599114619 /nfs/dbraw/zinc/11/46/19/599114619.db2.gz GXFDSFBDQYDGON-RAXLEYEMSA-N -1 3 394.460 2.372 20 30 GEEDHM COCCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988217 599115689 /nfs/dbraw/zinc/11/56/89/599115689.db2.gz IOWUJDQCKXTLOG-AWEZNQCLSA-N -1 3 392.419 2.185 20 30 GEEDHM COCCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988217 599115690 /nfs/dbraw/zinc/11/56/90/599115690.db2.gz IOWUJDQCKXTLOG-AWEZNQCLSA-N -1 3 392.419 2.185 20 30 GEEDHM COCCN(C(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988416 599117340 /nfs/dbraw/zinc/11/73/40/599117340.db2.gz LOXOHIXKCPYRJU-UHFFFAOYSA-N -1 3 376.420 2.351 20 30 GEEDHM COCCN(C(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988416 599117344 /nfs/dbraw/zinc/11/73/44/599117344.db2.gz LOXOHIXKCPYRJU-UHFFFAOYSA-N -1 3 376.420 2.351 20 30 GEEDHM COc1ccc(C=CC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1-c1nnn[n-]1 ZINC000737080788 599155052 /nfs/dbraw/zinc/15/50/52/599155052.db2.gz HIGQXJHHHCOVQI-OQFOIZHKSA-N -1 3 399.432 2.143 20 30 GEEDHM COc1ccc(C=CC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1-c1nn[n-]n1 ZINC000737080788 599155054 /nfs/dbraw/zinc/15/50/54/599155054.db2.gz HIGQXJHHHCOVQI-OQFOIZHKSA-N -1 3 399.432 2.143 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822829874 599177483 /nfs/dbraw/zinc/17/74/83/599177483.db2.gz NCURTOWMTKPLIA-SFHVURJKSA-N -1 3 391.410 2.163 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822829874 599177486 /nfs/dbraw/zinc/17/74/86/599177486.db2.gz NCURTOWMTKPLIA-SFHVURJKSA-N -1 3 391.410 2.163 20 30 GEEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)ccc1-c1nnn[n-]1 ZINC000737704612 599194339 /nfs/dbraw/zinc/19/43/39/599194339.db2.gz KIONQAKZLGFDFK-HZPDHXFCSA-N -1 3 388.387 2.252 20 30 GEEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC000737704612 599194342 /nfs/dbraw/zinc/19/43/42/599194342.db2.gz KIONQAKZLGFDFK-HZPDHXFCSA-N -1 3 388.387 2.252 20 30 GEEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)ccc1-c1nnn[n-]1 ZINC000737704615 599194724 /nfs/dbraw/zinc/19/47/24/599194724.db2.gz KIONQAKZLGFDFK-JKSUJKDBSA-N -1 3 388.387 2.252 20 30 GEEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC000737704615 599194726 /nfs/dbraw/zinc/19/47/26/599194726.db2.gz KIONQAKZLGFDFK-JKSUJKDBSA-N -1 3 388.387 2.252 20 30 GEEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735410224 599218467 /nfs/dbraw/zinc/21/84/67/599218467.db2.gz XOCVQTQYMXOCFJ-GFCCVEGCSA-N -1 3 393.407 2.073 20 30 GEEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735410224 599218469 /nfs/dbraw/zinc/21/84/69/599218469.db2.gz XOCVQTQYMXOCFJ-GFCCVEGCSA-N -1 3 393.407 2.073 20 30 GEEDHM COCCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(C#N)cc1 ZINC000821689072 607263874 /nfs/dbraw/zinc/26/38/74/607263874.db2.gz JTZZRDUQBBTZHM-UHFFFAOYSA-N -1 3 383.799 2.080 20 30 GEEDHM COCCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(C#N)cc1 ZINC000821689072 607263875 /nfs/dbraw/zinc/26/38/75/607263875.db2.gz JTZZRDUQBBTZHM-UHFFFAOYSA-N -1 3 383.799 2.080 20 30 GEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1C ZINC000822010099 607271489 /nfs/dbraw/zinc/27/14/89/607271489.db2.gz NGKNEWAPBUMIQA-UHFFFAOYSA-N -1 3 377.408 2.336 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)Cc1cccc(OC)c1 ZINC000735426251 599273069 /nfs/dbraw/zinc/27/30/69/599273069.db2.gz MZTHGRLNABXOIG-UHFFFAOYSA-N -1 3 399.476 2.393 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)Cc1cccc(OC)c1 ZINC000735426251 599273072 /nfs/dbraw/zinc/27/30/72/599273072.db2.gz MZTHGRLNABXOIG-UHFFFAOYSA-N -1 3 399.476 2.393 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819702421 599282978 /nfs/dbraw/zinc/28/29/78/599282978.db2.gz ZBVRZRDQAOUMCE-UHFFFAOYSA-N -1 3 384.346 2.479 20 30 GEEDHM C#CCOc1cc(F)ccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819702421 599282981 /nfs/dbraw/zinc/28/29/81/599282981.db2.gz ZBVRZRDQAOUMCE-UHFFFAOYSA-N -1 3 384.346 2.479 20 30 GEEDHM Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000737390423 598274197 /nfs/dbraw/zinc/27/41/97/598274197.db2.gz PYASAJPLFCNWTL-LLVKDONJSA-N -1 3 394.464 2.452 20 30 GEEDHM Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000737390423 598274198 /nfs/dbraw/zinc/27/41/98/598274198.db2.gz PYASAJPLFCNWTL-LLVKDONJSA-N -1 3 394.464 2.452 20 30 GEEDHM N#Cc1ccc(CN2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737711020 598275866 /nfs/dbraw/zinc/27/58/66/598275866.db2.gz DPFIYSKHMGGHPF-UHFFFAOYSA-N -1 3 380.843 2.109 20 30 GEEDHM N#Cc1ccc(CN2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737711020 598275868 /nfs/dbraw/zinc/27/58/68/598275868.db2.gz DPFIYSKHMGGHPF-UHFFFAOYSA-N -1 3 380.843 2.109 20 30 GEEDHM N#Cc1ccc(NCCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)nc1 ZINC000737720179 598320642 /nfs/dbraw/zinc/32/06/42/598320642.db2.gz ZDFUEEJPMZJUSK-UHFFFAOYSA-N -1 3 399.871 2.185 20 30 GEEDHM N#Cc1ccc(NCCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)nc1 ZINC000737720179 598320644 /nfs/dbraw/zinc/32/06/44/598320644.db2.gz ZDFUEEJPMZJUSK-UHFFFAOYSA-N -1 3 399.871 2.185 20 30 GEEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ncccc1OCCCC#N ZINC000736188144 598384921 /nfs/dbraw/zinc/38/49/21/598384921.db2.gz MGTDCQFIYHFABZ-CYBMUJFWSA-N -1 3 393.407 2.350 20 30 GEEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ncccc1OCCCC#N ZINC000736188144 598384923 /nfs/dbraw/zinc/38/49/23/598384923.db2.gz MGTDCQFIYHFABZ-CYBMUJFWSA-N -1 3 393.407 2.350 20 30 GEEDHM C#CCOc1cccc(COC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381352 598413943 /nfs/dbraw/zinc/41/39/43/598413943.db2.gz UFGNVKCQGBXLMR-CQSZACIVSA-N -1 3 378.388 2.389 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC000735419198 598419083 /nfs/dbraw/zinc/41/90/83/598419083.db2.gz PZIBNPRWYKFKKG-HNNXBMFYSA-N -1 3 396.495 2.466 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC000735419198 598419085 /nfs/dbraw/zinc/41/90/85/598419085.db2.gz PZIBNPRWYKFKKG-HNNXBMFYSA-N -1 3 396.495 2.466 20 30 GEEDHM N#Cc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)nc1 ZINC000737709919 598444774 /nfs/dbraw/zinc/44/47/74/598444774.db2.gz OLHDKPXTWCJOFC-UHFFFAOYSA-N -1 3 387.325 2.338 20 30 GEEDHM N#Cc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)nc1 ZINC000737709919 598444776 /nfs/dbraw/zinc/44/47/76/598444776.db2.gz OLHDKPXTWCJOFC-UHFFFAOYSA-N -1 3 387.325 2.338 20 30 GEEDHM N#CCn1cc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)cn1 ZINC000737704060 598550040 /nfs/dbraw/zinc/55/00/40/598550040.db2.gz CXIDQLFPNCPUBO-UHFFFAOYSA-N -1 3 390.363 2.011 20 30 GEEDHM C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735431335 598555260 /nfs/dbraw/zinc/55/52/60/598555260.db2.gz BVPJPLNIVJHNII-ZDUSSCGKSA-N -1 3 392.419 2.189 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000737721855 598560780 /nfs/dbraw/zinc/56/07/80/598560780.db2.gz OOWVHNAAAZBXQN-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000737721855 598560782 /nfs/dbraw/zinc/56/07/82/598560782.db2.gz OOWVHNAAAZBXQN-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000736813670 598577512 /nfs/dbraw/zinc/57/75/12/598577512.db2.gz LWONYXSBCDEHNF-IBGZPJMESA-N -1 3 387.447 2.366 20 30 GEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000736813670 598577513 /nfs/dbraw/zinc/57/75/13/598577513.db2.gz LWONYXSBCDEHNF-IBGZPJMESA-N -1 3 387.447 2.366 20 30 GEEDHM C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735426761 598637861 /nfs/dbraw/zinc/63/78/61/598637861.db2.gz VYSPGDMALURSGH-UHFFFAOYSA-N -1 3 398.373 2.298 20 30 GEEDHM C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735426761 598637863 /nfs/dbraw/zinc/63/78/63/598637863.db2.gz VYSPGDMALURSGH-UHFFFAOYSA-N -1 3 398.373 2.298 20 30 GEEDHM N#Cc1cc(S(=O)(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000737709235 598693961 /nfs/dbraw/zinc/69/39/61/598693961.db2.gz JSKNRRVONXVPAD-UHFFFAOYSA-N -1 3 398.423 2.231 20 30 GEEDHM N#Cc1cc(S(=O)(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000737709235 598693962 /nfs/dbraw/zinc/69/39/62/598693962.db2.gz JSKNRRVONXVPAD-UHFFFAOYSA-N -1 3 398.423 2.231 20 30 GEEDHM N#Cc1ccc(SCC(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737722633 598715735 /nfs/dbraw/zinc/71/57/35/598715735.db2.gz LJVNCJPJUKNPAB-UHFFFAOYSA-N -1 3 394.416 2.012 20 30 GEEDHM N#Cc1ccc(SCC(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737722633 598715737 /nfs/dbraw/zinc/71/57/37/598715737.db2.gz LJVNCJPJUKNPAB-UHFFFAOYSA-N -1 3 394.416 2.012 20 30 GEEDHM N#Cc1ccc(OC2CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737722441 598746419 /nfs/dbraw/zinc/74/64/19/598746419.db2.gz VFSDEQUEIWOWGA-UHFFFAOYSA-N -1 3 388.431 2.351 20 30 GEEDHM N#Cc1ccc(OC2CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737722441 598746420 /nfs/dbraw/zinc/74/64/20/598746420.db2.gz VFSDEQUEIWOWGA-UHFFFAOYSA-N -1 3 388.431 2.351 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCN(C)CC(F)(F)F ZINC000735420764 598760474 /nfs/dbraw/zinc/76/04/74/598760474.db2.gz SZXSHQKHIUIMSE-UHFFFAOYSA-N -1 3 397.405 2.058 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCN(C)CC(F)(F)F ZINC000735420764 598760475 /nfs/dbraw/zinc/76/04/75/598760475.db2.gz SZXSHQKHIUIMSE-UHFFFAOYSA-N -1 3 397.405 2.058 20 30 GEEDHM N#Cc1cccc(C(=O)COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826386691 607372166 /nfs/dbraw/zinc/37/21/66/607372166.db2.gz OSPVPAKZOKEJBJ-UHFFFAOYSA-N -1 3 379.401 2.257 20 30 GEEDHM N#Cc1cccc(C(=O)COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826386691 607372167 /nfs/dbraw/zinc/37/21/67/607372167.db2.gz OSPVPAKZOKEJBJ-UHFFFAOYSA-N -1 3 379.401 2.257 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccn(CCCOC)n1 ZINC000735420680 599503421 /nfs/dbraw/zinc/50/34/21/599503421.db2.gz PTSCTAOQKOMABI-UHFFFAOYSA-N -1 3 396.455 2.320 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccn(CCCOC)n1 ZINC000735420680 599503424 /nfs/dbraw/zinc/50/34/24/599503424.db2.gz PTSCTAOQKOMABI-UHFFFAOYSA-N -1 3 396.455 2.320 20 30 GEEDHM N#Cc1ccc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1-c1nnn[n-]1 ZINC000822829956 599631452 /nfs/dbraw/zinc/63/14/52/599631452.db2.gz QUVBIBYXFVYKRL-UHFFFAOYSA-N -1 3 387.403 2.268 20 30 GEEDHM N#Cc1ccc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1-c1nn[n-]n1 ZINC000822829956 599631453 /nfs/dbraw/zinc/63/14/53/599631453.db2.gz QUVBIBYXFVYKRL-UHFFFAOYSA-N -1 3 387.403 2.268 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000826257059 607386886 /nfs/dbraw/zinc/38/68/86/607386886.db2.gz LVEMHWDDUGDXQV-AWEZNQCLSA-N -1 3 394.416 2.071 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000826257059 607386888 /nfs/dbraw/zinc/38/68/88/607386888.db2.gz LVEMHWDDUGDXQV-AWEZNQCLSA-N -1 3 394.416 2.071 20 30 GEEDHM N#Cc1ccc(CC(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822826430 599659595 /nfs/dbraw/zinc/65/95/95/599659595.db2.gz XWXDJMIWLAWUBK-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM N#Cc1ccc(CC(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000822826430 599659596 /nfs/dbraw/zinc/65/95/96/599659596.db2.gz XWXDJMIWLAWUBK-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000739066539 600298800 /nfs/dbraw/zinc/29/88/00/600298800.db2.gz OGNCWIHRCYOLPH-HUUCEWRRSA-N -1 3 376.416 2.410 20 30 GEEDHM COc1ccc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1C#N ZINC000826195453 607493351 /nfs/dbraw/zinc/49/33/51/607493351.db2.gz VBGUYTNKNNCDGA-UHFFFAOYSA-N -1 3 375.436 2.069 20 30 GEEDHM COc1ccc(CNC(=O)CSCc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826197179 607579479 /nfs/dbraw/zinc/57/94/79/607579479.db2.gz CTPZAWCXVNJCOK-UHFFFAOYSA-N -1 3 394.460 2.297 20 30 GEEDHM COc1ccc(CNC(=O)CSCc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826197179 607579481 /nfs/dbraw/zinc/57/94/81/607579481.db2.gz CTPZAWCXVNJCOK-UHFFFAOYSA-N -1 3 394.460 2.297 20 30 GEEDHM Cc1csc(=NC[C@H]2CCCO2)n1N=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826320672 607634600 /nfs/dbraw/zinc/63/46/00/607634600.db2.gz ZGPCFPFRCIWIPF-CQSZACIVSA-N -1 3 387.444 2.139 20 30 GEEDHM Cc1csc(=NC[C@H]2CCCO2)n1N=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826320672 607634602 /nfs/dbraw/zinc/63/46/02/607634602.db2.gz ZGPCFPFRCIWIPF-CQSZACIVSA-N -1 3 387.444 2.139 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000826245703 607649550 /nfs/dbraw/zinc/64/95/50/607649550.db2.gz FWIPHBOKQDFEAB-UHFFFAOYSA-N -1 3 387.447 2.005 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000826245703 607649552 /nfs/dbraw/zinc/64/95/52/607649552.db2.gz FWIPHBOKQDFEAB-UHFFFAOYSA-N -1 3 387.447 2.005 20 30 GEEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000823903941 607704853 /nfs/dbraw/zinc/70/48/53/607704853.db2.gz OAWUIWXKWZUEDF-UHFFFAOYSA-N -1 3 377.408 2.261 20 30 GEEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000823903941 607704854 /nfs/dbraw/zinc/70/48/54/607704854.db2.gz OAWUIWXKWZUEDF-UHFFFAOYSA-N -1 3 377.408 2.261 20 30 GEEDHM C=C(C)COCCNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823877691 607765827 /nfs/dbraw/zinc/76/58/27/607765827.db2.gz CYWNFUIAUCYPHQ-UHFFFAOYSA-N -1 3 389.416 2.149 20 30 GEEDHM C=C(C)COCCNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823877691 607765828 /nfs/dbraw/zinc/76/58/28/607765828.db2.gz CYWNFUIAUCYPHQ-UHFFFAOYSA-N -1 3 389.416 2.149 20 30 GEEDHM N#Cc1ccc(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)s1 ZINC000822825790 606134912 /nfs/dbraw/zinc/13/49/12/606134912.db2.gz OZHZCZLDWFNSMB-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM N#Cc1ccc(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)s1 ZINC000822825790 606134914 /nfs/dbraw/zinc/13/49/14/606134914.db2.gz OZHZCZLDWFNSMB-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM N#Cc1cccc(-c2nnc(COC(=O)Cc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822837119 606141753 /nfs/dbraw/zinc/14/17/53/606141753.db2.gz FTFMWDFSUJLLFI-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM N#Cc1cccc(-c2nnc(COC(=O)Cc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822837119 606141755 /nfs/dbraw/zinc/14/17/55/606141755.db2.gz FTFMWDFSUJLLFI-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM NC(=NOCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)o1 ZINC000822846018 606178482 /nfs/dbraw/zinc/17/84/82/606178482.db2.gz OHZIDTWAVRISMM-UHFFFAOYSA-N -1 3 381.165 2.198 20 30 GEEDHM NC(=NOCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)o1 ZINC000822846018 606178483 /nfs/dbraw/zinc/17/84/83/606178483.db2.gz OHZIDTWAVRISMM-UHFFFAOYSA-N -1 3 381.165 2.198 20 30 GEEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822802024 606299820 /nfs/dbraw/zinc/29/98/20/606299820.db2.gz UJRWDHSLJIBGGZ-CZUORRHYSA-N -1 3 378.392 2.461 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@H](C)n1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000819722533 606366968 /nfs/dbraw/zinc/36/69/68/606366968.db2.gz LYCNKWYCLRJOFI-ZDUSSCGKSA-N -1 3 380.456 2.419 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@H](C)n1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000819722533 606366969 /nfs/dbraw/zinc/36/69/69/606366969.db2.gz LYCNKWYCLRJOFI-ZDUSSCGKSA-N -1 3 380.456 2.419 20 30 GEEDHM COc1cccc(C#CCOC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821854615 606397123 /nfs/dbraw/zinc/39/71/23/606397123.db2.gz PFPNLDVAOKOOEH-CQSZACIVSA-N -1 3 378.388 2.238 20 30 GEEDHM N#Cc1ccccc1CSCCNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822842582 606495725 /nfs/dbraw/zinc/49/57/25/606495725.db2.gz OXTFPRMTZOACOE-UHFFFAOYSA-N -1 3 378.461 2.330 20 30 GEEDHM N#Cc1ccccc1CSCCNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822842582 606495726 /nfs/dbraw/zinc/49/57/26/606495726.db2.gz OXTFPRMTZOACOE-UHFFFAOYSA-N -1 3 378.461 2.330 20 30 GEEDHM N#Cc1ccccc1N1CCCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822842634 606526940 /nfs/dbraw/zinc/52/69/40/606526940.db2.gz RHGKTOWUWNYOEX-UHFFFAOYSA-N -1 3 387.447 2.020 20 30 GEEDHM N#Cc1ccccc1N1CCCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822842634 606526942 /nfs/dbraw/zinc/52/69/42/606526942.db2.gz RHGKTOWUWNYOEX-UHFFFAOYSA-N -1 3 387.447 2.020 20 30 GEEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)[C@H](C)CC#N)c1-c1nnn[n-]1 ZINC000822016397 606660519 /nfs/dbraw/zinc/66/05/19/606660519.db2.gz ZVHSZQJLGORCOV-CYBMUJFWSA-N -1 3 392.467 2.447 20 30 GEEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)[C@H](C)CC#N)c1-c1nn[n-]n1 ZINC000822016397 606660520 /nfs/dbraw/zinc/66/05/20/606660520.db2.gz ZVHSZQJLGORCOV-CYBMUJFWSA-N -1 3 392.467 2.447 20 30 GEEDHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccccc1C#N ZINC000820502780 606758253 /nfs/dbraw/zinc/75/82/53/606758253.db2.gz VSRLYVALGKBOMR-VIFPVBQESA-N -1 3 398.329 2.201 20 30 GEEDHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccccc1C#N ZINC000820502780 606758254 /nfs/dbraw/zinc/75/82/54/606758254.db2.gz VSRLYVALGKBOMR-VIFPVBQESA-N -1 3 398.329 2.201 20 30 GEEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000820151863 606799116 /nfs/dbraw/zinc/79/91/16/606799116.db2.gz PJDFPFRDEQOWRG-UHFFFAOYSA-N -1 3 391.387 2.373 20 30 GEEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000820151863 606799119 /nfs/dbraw/zinc/79/91/19/606799119.db2.gz PJDFPFRDEQOWRG-UHFFFAOYSA-N -1 3 391.387 2.373 20 30 GEEDHM C=C[C@H](C)NC(=O)COc1c(Br)cc(-c2nnn[n-]2)cc1OCC ZINC000819729215 606813624 /nfs/dbraw/zinc/81/36/24/606813624.db2.gz FMULFDIWJOLXFF-VIFPVBQESA-N -1 3 396.245 2.097 20 30 GEEDHM C=C[C@H](C)NC(=O)COc1c(Br)cc(-c2nn[n-]n2)cc1OCC ZINC000819729215 606813626 /nfs/dbraw/zinc/81/36/26/606813626.db2.gz FMULFDIWJOLXFF-VIFPVBQESA-N -1 3 396.245 2.097 20 30 GEEDHM CN(c1nc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cs1)C1CC1 ZINC000821619202 606820447 /nfs/dbraw/zinc/82/04/47/606820447.db2.gz MXHZLCRSLMQGFV-UHFFFAOYSA-N -1 3 385.482 2.063 20 30 GEEDHM CN(c1nc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cs1)C1CC1 ZINC000821619202 606820448 /nfs/dbraw/zinc/82/04/48/606820448.db2.gz MXHZLCRSLMQGFV-UHFFFAOYSA-N -1 3 385.482 2.063 20 30 GEEDHM C#CCOCCOC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819701655 606823104 /nfs/dbraw/zinc/82/31/04/606823104.db2.gz KPYGBZUMJJRPDB-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM C#CCOCCOC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819701655 606823106 /nfs/dbraw/zinc/82/31/06/606823106.db2.gz KPYGBZUMJJRPDB-UHFFFAOYSA-N -1 3 378.388 2.252 20 30 GEEDHM C=CCNC(=O)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819751720 606828973 /nfs/dbraw/zinc/82/89/73/606828973.db2.gz ZWYXLJOVCNRKGC-UHFFFAOYSA-N -1 3 393.403 2.426 20 30 GEEDHM C=CCNC(=O)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819751720 606828974 /nfs/dbraw/zinc/82/89/74/606828974.db2.gz ZWYXLJOVCNRKGC-UHFFFAOYSA-N -1 3 393.403 2.426 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1sc(C)nc1C ZINC000819744168 606837284 /nfs/dbraw/zinc/83/72/84/606837284.db2.gz YSKVIVLVUVDDIY-UHFFFAOYSA-N -1 3 397.464 2.093 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1sc(C)nc1C ZINC000819744168 606837286 /nfs/dbraw/zinc/83/72/86/606837286.db2.gz YSKVIVLVUVDDIY-UHFFFAOYSA-N -1 3 397.464 2.093 20 30 GEEDHM C=C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819730407 606837487 /nfs/dbraw/zinc/83/74/87/606837487.db2.gz YTFASSWDSVHYEH-NSHDSACASA-N -1 3 396.382 2.427 20 30 GEEDHM C=C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819730407 606837488 /nfs/dbraw/zinc/83/74/88/606837488.db2.gz YTFASSWDSVHYEH-NSHDSACASA-N -1 3 396.382 2.427 20 30 GEEDHM C=C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819730310 606837659 /nfs/dbraw/zinc/83/76/59/606837659.db2.gz VNQWFRQEEUAVJH-LBPRGKRZSA-N -1 3 378.392 2.288 20 30 GEEDHM C=C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819730310 606837661 /nfs/dbraw/zinc/83/76/61/606837661.db2.gz VNQWFRQEEUAVJH-LBPRGKRZSA-N -1 3 378.392 2.288 20 30 GEEDHM N#CCCN(CCC#N)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822810174 606852303 /nfs/dbraw/zinc/85/23/03/606852303.db2.gz DCQBNGFKUZHOIZ-UHFFFAOYSA-N -1 3 375.845 2.268 20 30 GEEDHM N#CCCN(CCC#N)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822810174 606852304 /nfs/dbraw/zinc/85/23/04/606852304.db2.gz DCQBNGFKUZHOIZ-UHFFFAOYSA-N -1 3 375.845 2.268 20 30 GEEDHM CCN(C[C@H](C)C#N)C(=O)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000821169705 607041485 /nfs/dbraw/zinc/04/14/85/607041485.db2.gz BEZWLAAXGRSVSV-SNVBAGLBSA-N -1 3 393.245 2.016 20 30 GEEDHM CCN(C[C@H](C)C#N)C(=O)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000821169705 607041487 /nfs/dbraw/zinc/04/14/87/607041487.db2.gz BEZWLAAXGRSVSV-SNVBAGLBSA-N -1 3 393.245 2.016 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822500672 607079118 /nfs/dbraw/zinc/07/91/18/607079118.db2.gz ATAIKZGYSHXFGT-UHFFFAOYSA-N -1 3 397.414 2.409 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822500672 607079119 /nfs/dbraw/zinc/07/91/19/607079119.db2.gz ATAIKZGYSHXFGT-UHFFFAOYSA-N -1 3 397.414 2.409 20 30 GEEDHM S=C1N=NC(c2ccco2)N1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000823737997 607147746 /nfs/dbraw/zinc/14/77/46/607147746.db2.gz MNIRHNCBLNJJMV-UHFFFAOYSA-N -1 3 377.393 2.370 20 30 GEEDHM S=C1N=NC(c2ccco2)N1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823737997 607147748 /nfs/dbraw/zinc/14/77/48/607147748.db2.gz MNIRHNCBLNJJMV-UHFFFAOYSA-N -1 3 377.393 2.370 20 30 GEEDHM N#CCc1cccc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1 ZINC000822814007 607188461 /nfs/dbraw/zinc/18/84/61/607188461.db2.gz ARJYLKCXMRDHHF-UHFFFAOYSA-N -1 3 384.403 2.253 20 30 GEEDHM N#CCc1cccc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1 ZINC000822814007 607188462 /nfs/dbraw/zinc/18/84/62/607188462.db2.gz ARJYLKCXMRDHHF-UHFFFAOYSA-N -1 3 384.403 2.253 20 30 GEEDHM N#Cc1c(N)n[nH]c1CCCNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC000822819581 607227082 /nfs/dbraw/zinc/22/70/82/607227082.db2.gz WXWRTCWCHRZAKY-UHFFFAOYSA-N -1 3 377.334 2.107 20 30 GEEDHM N#Cc1c(N)n[nH]c1CCCNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC000822819581 607227083 /nfs/dbraw/zinc/22/70/83/607227083.db2.gz WXWRTCWCHRZAKY-UHFFFAOYSA-N -1 3 377.334 2.107 20 30 GEEDHM C=CCN1C(=O)c2ccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)cc2C1=O ZINC000819751092 607248211 /nfs/dbraw/zinc/24/82/11/607248211.db2.gz PCWLLQMJINGUKY-UHFFFAOYSA-N -1 3 393.334 2.007 20 30 GEEDHM C=CCN1C(=O)c2ccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)cc2C1=O ZINC000819751092 607248212 /nfs/dbraw/zinc/24/82/12/607248212.db2.gz PCWLLQMJINGUKY-UHFFFAOYSA-N -1 3 393.334 2.007 20 30 GEEDHM C[C@@H](C#N)CN(CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C1CC1 ZINC000824033734 607831199 /nfs/dbraw/zinc/83/11/99/607831199.db2.gz ADIGZPOSYDGNCD-NSHDSACASA-N -1 3 385.497 2.370 20 30 GEEDHM C[C@@H](C#N)CN(CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)C1CC1 ZINC000824033734 607831200 /nfs/dbraw/zinc/83/12/00/607831200.db2.gz ADIGZPOSYDGNCD-NSHDSACASA-N -1 3 385.497 2.370 20 30 GEEDHM O=S(=O)(c1ccc(NN=Cc2ccccc2-c2nnn[n-]2)cc1)C(F)F ZINC000826495265 607887985 /nfs/dbraw/zinc/88/79/85/607887985.db2.gz IVEPZQGPCHWRBS-UHFFFAOYSA-N -1 3 378.364 2.309 20 30 GEEDHM O=S(=O)(c1ccc(NN=Cc2ccccc2-c2nn[n-]n2)cc1)C(F)F ZINC000826495265 607887986 /nfs/dbraw/zinc/88/79/86/607887986.db2.gz IVEPZQGPCHWRBS-UHFFFAOYSA-N -1 3 378.364 2.309 20 30 GEEDHM COC(=O)COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826138356 607917027 /nfs/dbraw/zinc/91/70/27/607917027.db2.gz QWJMWDUIHXKOJF-YCRREMRBSA-N -1 3 382.351 2.454 20 30 GEEDHM COC(=O)COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826138356 607917028 /nfs/dbraw/zinc/91/70/28/607917028.db2.gz QWJMWDUIHXKOJF-YCRREMRBSA-N -1 3 382.351 2.454 20 30 GEEDHM C[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824634232 608002137 /nfs/dbraw/zinc/00/21/37/608002137.db2.gz TZXLZGOVLAIHEB-NSHDSACASA-N -1 3 386.412 2.058 20 30 GEEDHM C[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824634232 608002138 /nfs/dbraw/zinc/00/21/38/608002138.db2.gz TZXLZGOVLAIHEB-NSHDSACASA-N -1 3 386.412 2.058 20 30 GEEDHM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1C ZINC000826272673 608004805 /nfs/dbraw/zinc/00/48/05/608004805.db2.gz WCKJPAVOTRPLET-UHFFFAOYSA-N -1 3 396.432 2.011 20 30 GEEDHM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1C ZINC000826272673 608004806 /nfs/dbraw/zinc/00/48/06/608004806.db2.gz WCKJPAVOTRPLET-UHFFFAOYSA-N -1 3 396.432 2.011 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1-c1nnn[n-]1 ZINC000826384134 608005022 /nfs/dbraw/zinc/00/50/22/608005022.db2.gz IAEFDTNQCOLIIZ-UHFFFAOYSA-N -1 3 388.347 2.309 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1-c1nn[n-]n1 ZINC000826384134 608005023 /nfs/dbraw/zinc/00/50/23/608005023.db2.gz IAEFDTNQCOLIIZ-UHFFFAOYSA-N -1 3 388.347 2.309 20 30 GEEDHM C=CCn1c(C)nn(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1=S ZINC000823937418 608054603 /nfs/dbraw/zinc/05/46/03/608054603.db2.gz XAGSRCMVBHCDQN-INIZCTEOSA-N -1 3 398.496 2.120 20 30 GEEDHM C=CCn1c(C)nn(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1=S ZINC000823937418 608054604 /nfs/dbraw/zinc/05/46/04/608054604.db2.gz XAGSRCMVBHCDQN-INIZCTEOSA-N -1 3 398.496 2.120 20 30 GEEDHM C=CCNc1ncc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000823925519 608080686 /nfs/dbraw/zinc/08/06/86/608080686.db2.gz LGRQXFISOVERFC-AWEZNQCLSA-N -1 3 397.464 2.135 20 30 GEEDHM C=CCNc1ncc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000823925519 608080687 /nfs/dbraw/zinc/08/06/87/608080687.db2.gz LGRQXFISOVERFC-AWEZNQCLSA-N -1 3 397.464 2.135 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000826386735 608083887 /nfs/dbraw/zinc/08/38/87/608083887.db2.gz QUDVDMWOGZBTMY-LJQANCHMSA-N -1 3 388.431 2.271 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826386735 608083888 /nfs/dbraw/zinc/08/38/88/608083888.db2.gz QUDVDMWOGZBTMY-LJQANCHMSA-N -1 3 388.431 2.271 20 30 GEEDHM N#Cc1ccccc1C=CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826387058 608089545 /nfs/dbraw/zinc/08/95/45/608089545.db2.gz DXGPVCJAKPQMEG-OLHLWXQYSA-N -1 3 386.415 2.352 20 30 GEEDHM N#Cc1ccccc1C=CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826387058 608089546 /nfs/dbraw/zinc/08/95/46/608089546.db2.gz DXGPVCJAKPQMEG-OLHLWXQYSA-N -1 3 386.415 2.352 20 30 GEEDHM CON=Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826166377 608089677 /nfs/dbraw/zinc/08/96/77/608089677.db2.gz HWHCAZBDYUKXKE-GOSISDBHSA-N -1 3 392.419 2.061 20 30 GEEDHM CON=Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826166377 608089678 /nfs/dbraw/zinc/08/96/78/608089678.db2.gz HWHCAZBDYUKXKE-GOSISDBHSA-N -1 3 392.419 2.061 20 30 GEEDHM O=C([O-])c1ccc(N=NC2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)nc1 ZINC000826462230 608110523 /nfs/dbraw/zinc/11/05/23/608110523.db2.gz RRPPYNPXUCMFFK-UHFFFAOYSA-N -1 3 392.423 2.024 20 30 GEEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCCOC)cc1 ZINC000823856674 608138571 /nfs/dbraw/zinc/13/85/71/608138571.db2.gz VYQKVTOEGITEEZ-UHFFFAOYSA-N -1 3 393.403 2.156 20 30 GEEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCCOC)cc1 ZINC000823856674 608138572 /nfs/dbraw/zinc/13/85/72/608138572.db2.gz VYQKVTOEGITEEZ-UHFFFAOYSA-N -1 3 393.403 2.156 20 30 GEEDHM COC[C@@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000826147791 608147139 /nfs/dbraw/zinc/14/71/39/608147139.db2.gz MCZZJAUDWIVGRA-OAHLLOKOSA-N -1 3 379.376 2.141 20 30 GEEDHM COC[C@@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000826147791 608147140 /nfs/dbraw/zinc/14/71/40/608147140.db2.gz MCZZJAUDWIVGRA-OAHLLOKOSA-N -1 3 379.376 2.141 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C[C@H](c2cccnc2)CC1=O ZINC000823915348 608235953 /nfs/dbraw/zinc/23/59/53/608235953.db2.gz VUHDNMGRWCTJDB-LJQANCHMSA-N -1 3 389.463 2.223 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C[C@H](c2cccnc2)CC1=O ZINC000823915348 608235954 /nfs/dbraw/zinc/23/59/54/608235954.db2.gz VUHDNMGRWCTJDB-LJQANCHMSA-N -1 3 389.463 2.223 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000826274766 608280108 /nfs/dbraw/zinc/28/01/08/608280108.db2.gz DIENRPAASWGXQD-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000826274766 608280109 /nfs/dbraw/zinc/28/01/09/608280109.db2.gz DIENRPAASWGXQD-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM O=C(C#Cc1ccc2c(c1)OCO2)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826397176 608480296 /nfs/dbraw/zinc/48/02/96/608480296.db2.gz WJQALQDSWWQGNJ-UHFFFAOYSA-N -1 3 399.410 2.263 20 30 GEEDHM O=C(C#Cc1ccc2c(c1)OCO2)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826397176 608480297 /nfs/dbraw/zinc/48/02/97/608480297.db2.gz WJQALQDSWWQGNJ-UHFFFAOYSA-N -1 3 399.410 2.263 20 30 GEEDHM Cc1oc(NC(=O)CNC2(c3cccc(C#N)c3)CC2)c(-c2nnn[n-]2)c1C ZINC000826342573 608530878 /nfs/dbraw/zinc/53/08/78/608530878.db2.gz QQKNULSXVFFCPL-UHFFFAOYSA-N -1 3 377.408 2.166 20 30 GEEDHM O=C1Nc2cccc(Cl)c2C1=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826483098 608541761 /nfs/dbraw/zinc/54/17/61/608541761.db2.gz AUBJYCFSHUEIFP-UHFFFAOYSA-N -1 3 375.179 2.337 20 30 GEEDHM O=C1Nc2cccc(Cl)c2C1=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826483098 608541763 /nfs/dbraw/zinc/54/17/63/608541763.db2.gz AUBJYCFSHUEIFP-UHFFFAOYSA-N -1 3 375.179 2.337 20 30 GEEDHM C=CC[C@@H](CO)CNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000823888015 608562842 /nfs/dbraw/zinc/56/28/42/608562842.db2.gz CVGLZVLZALNSBJ-MRXNPFEDSA-N -1 3 393.447 2.360 20 30 GEEDHM C=CC[C@@H](CO)CNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000823888015 608562843 /nfs/dbraw/zinc/56/28/43/608562843.db2.gz CVGLZVLZALNSBJ-MRXNPFEDSA-N -1 3 393.447 2.360 20 30 GEEDHM N#Cc1cc2c(nc1NC(=O)COc1ccccc1-c1nnn[n-]1)CCCC2 ZINC000826384117 608572643 /nfs/dbraw/zinc/57/26/43/608572643.db2.gz HNJFNHBVIFNLLN-UHFFFAOYSA-N -1 3 375.392 2.030 20 30 GEEDHM N#Cc1cc2c(nc1NC(=O)COc1ccccc1-c1nn[n-]n1)CCCC2 ZINC000826384117 608572644 /nfs/dbraw/zinc/57/26/44/608572644.db2.gz HNJFNHBVIFNLLN-UHFFFAOYSA-N -1 3 375.392 2.030 20 30 GEEDHM 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/nfs/dbraw/zinc/66/13/42/532661342.db2.gz ZALPABQJPJCTLH-LLVKDONJSA-N -1 3 394.272 2.281 20 30 GEEDHM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1 ZINC000437934778 532665421 /nfs/dbraw/zinc/66/54/21/532665421.db2.gz OCTNMDRSBWBRIW-UHFFFAOYSA-N -1 3 399.881 2.263 20 30 GEEDHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000285307323 532668349 /nfs/dbraw/zinc/66/83/49/532668349.db2.gz RWAZKZULOHGTIY-CYBMUJFWSA-N -1 3 387.889 2.267 20 30 GEEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000657037224 532658435 /nfs/dbraw/zinc/65/84/35/532658435.db2.gz XHEQIVQZDQBKFH-HUUCEWRRSA-N -1 3 386.539 2.350 20 30 GEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000377782511 532669556 /nfs/dbraw/zinc/66/95/56/532669556.db2.gz PUJFWCZEFDQWNJ-GDBMZVCRSA-N -1 3 384.885 2.200 20 30 GEEDHM Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cn(C)c1=O ZINC000486494724 532689497 /nfs/dbraw/zinc/68/94/97/532689497.db2.gz NQTZDEYPYWPOQP-UHFFFAOYSA-N -1 3 382.239 2.129 20 30 GEEDHM C[C@]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000489558469 532707797 /nfs/dbraw/zinc/70/77/97/532707797.db2.gz NXHRDMJOEMSISO-MRXNPFEDSA-N -1 3 381.816 2.030 20 30 GEEDHM N#Cc1c(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)nc2ccccn12 ZINC000302134521 532766867 /nfs/dbraw/zinc/76/68/67/532766867.db2.gz CVUCUAWAJIRUJB-UHFFFAOYSA-N -1 3 381.870 2.311 20 30 GEEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)s1 ZINC000269745278 532788976 /nfs/dbraw/zinc/78/89/76/532788976.db2.gz XMJQWKKGWWENNU-UHFFFAOYSA-N -1 3 375.475 2.223 20 30 GEEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000272889019 532819447 /nfs/dbraw/zinc/81/94/47/532819447.db2.gz XIEZIGYIJMBWMP-UHFFFAOYSA-N -1 3 391.820 2.238 20 30 GEEDHM C=CCN(Cc1ccc(OC)c([O-])c1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000273697961 532831424 /nfs/dbraw/zinc/83/14/24/532831424.db2.gz CSSMCIWKLJIOCZ-GFCCVEGCSA-N -1 3 390.299 2.338 20 30 GEEDHM C[C@H](CC#N)NC(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000290288481 532877579 /nfs/dbraw/zinc/87/75/79/532877579.db2.gz XTTPCUXZMIGZBK-MRVPVSSYSA-N -1 3 383.779 2.055 20 30 GEEDHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)s1 ZINC000276268887 532892129 /nfs/dbraw/zinc/89/21/29/532892129.db2.gz NGPXELFZZCXKQX-WBMJQRKESA-N -1 3 385.511 2.397 20 30 GEEDHM CCOC(=O)c1csc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000276373173 532894648 /nfs/dbraw/zinc/89/46/48/532894648.db2.gz OUPYREHFQWUDLG-UHFFFAOYSA-N -1 3 399.881 2.366 20 30 GEEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1cnc2n1CCCC2 ZINC000367739443 532926946 /nfs/dbraw/zinc/92/69/46/532926946.db2.gz MCJACMZOPTXFAI-UHFFFAOYSA-N -1 3 395.282 2.332 20 30 GEEDHM N#Cc1c(N)n(-c2ccccc2)nc1CCC[N-]S(=O)(=O)c1cccs1 ZINC000030335637 259085359 /nfs/dbraw/zinc/08/53/59/259085359.db2.gz AENATPALYVQEFO-UHFFFAOYSA-N -1 3 387.490 2.299 20 30 GEEDHM C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735426114 598867636 /nfs/dbraw/zinc/86/76/36/598867636.db2.gz KWRRSDYBEKTBSQ-UHFFFAOYSA-N -1 3 379.442 2.444 20 30 GEEDHM C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735426114 598867638 /nfs/dbraw/zinc/86/76/38/598867638.db2.gz KWRRSDYBEKTBSQ-UHFFFAOYSA-N -1 3 379.442 2.444 20 30 GEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000736817678 598874743 /nfs/dbraw/zinc/87/47/43/598874743.db2.gz GESIHJIDWZMRBY-UHFFFAOYSA-N -1 3 388.840 2.212 20 30 GEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000736817678 598874744 /nfs/dbraw/zinc/87/47/44/598874744.db2.gz GESIHJIDWZMRBY-UHFFFAOYSA-N -1 3 388.840 2.212 20 30 GEEDHM COC(=O)[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736900951 598896207 /nfs/dbraw/zinc/89/62/07/598896207.db2.gz UXPPUHCSATXJQO-SFHVURJKSA-N -1 3 391.387 2.128 20 30 GEEDHM COC(=O)[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736900951 598896209 /nfs/dbraw/zinc/89/62/09/598896209.db2.gz UXPPUHCSATXJQO-SFHVURJKSA-N -1 3 391.387 2.128 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1cccc(CC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899464 598898255 /nfs/dbraw/zinc/89/82/55/598898255.db2.gz MUGKFYOXFWPMQG-MRXNPFEDSA-N -1 3 377.360 2.004 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1cccc(CC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899464 598898257 /nfs/dbraw/zinc/89/82/57/598898257.db2.gz MUGKFYOXFWPMQG-MRXNPFEDSA-N -1 3 377.360 2.004 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cn(CCC(C)C)nn1 ZINC000735420726 598912309 /nfs/dbraw/zinc/91/23/09/598912309.db2.gz RBJAHKFZVWAUJN-UHFFFAOYSA-N -1 3 380.456 2.333 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cn(CCC(C)C)nn1 ZINC000735420726 598912310 /nfs/dbraw/zinc/91/23/10/598912310.db2.gz RBJAHKFZVWAUJN-UHFFFAOYSA-N -1 3 380.456 2.333 20 30 GEEDHM N#Cc1cc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)ccc1-c1nnn[n-]1 ZINC000737705197 598916834 /nfs/dbraw/zinc/91/68/34/598916834.db2.gz NUZIIYNTPDZYOY-MRXNPFEDSA-N -1 3 377.339 2.009 20 30 GEEDHM N#Cc1cc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)ccc1-c1nn[n-]n1 ZINC000737705197 598916836 /nfs/dbraw/zinc/91/68/36/598916836.db2.gz NUZIIYNTPDZYOY-MRXNPFEDSA-N -1 3 377.339 2.009 20 30 GEEDHM N#C[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCN1Cc1ccccc1 ZINC000737677363 598920927 /nfs/dbraw/zinc/92/09/27/598920927.db2.gz CJDKXRGJUGYXMH-GOSISDBHSA-N -1 3 388.435 2.109 20 30 GEEDHM N#C[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCN1Cc1ccccc1 ZINC000737677363 598920930 /nfs/dbraw/zinc/92/09/30/598920930.db2.gz CJDKXRGJUGYXMH-GOSISDBHSA-N -1 3 388.435 2.109 20 30 GEEDHM Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737464612 598926741 /nfs/dbraw/zinc/92/67/41/598926741.db2.gz QLHDLVLTEFNSGY-UHFFFAOYSA-N -1 3 389.404 2.213 20 30 GEEDHM Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737464612 598926742 /nfs/dbraw/zinc/92/67/42/598926742.db2.gz QLHDLVLTEFNSGY-UHFFFAOYSA-N -1 3 389.404 2.213 20 30 GEEDHM N#Cc1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737716496 598927579 /nfs/dbraw/zinc/92/75/79/598927579.db2.gz RFABPTRKNWCJFU-UHFFFAOYSA-N -1 3 393.382 2.026 20 30 GEEDHM N#Cc1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737716496 598927580 /nfs/dbraw/zinc/92/75/80/598927580.db2.gz RFABPTRKNWCJFU-UHFFFAOYSA-N -1 3 393.382 2.026 20 30 GEEDHM CC(C)Cn1ncc2cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cnc21 ZINC000735850783 598929356 /nfs/dbraw/zinc/92/93/56/598929356.db2.gz HWGJVVAFFXMOAC-UHFFFAOYSA-N -1 3 387.407 2.391 20 30 GEEDHM CC(C)Cn1ncc2cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cnc21 ZINC000735850783 598929358 /nfs/dbraw/zinc/92/93/58/598929358.db2.gz HWGJVVAFFXMOAC-UHFFFAOYSA-N -1 3 387.407 2.391 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000735426789 599001697 /nfs/dbraw/zinc/00/16/97/599001697.db2.gz WVSLADCOFPUZTA-UHFFFAOYSA-N -1 3 394.460 2.424 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000735426789 599001699 /nfs/dbraw/zinc/00/16/99/599001699.db2.gz WVSLADCOFPUZTA-UHFFFAOYSA-N -1 3 394.460 2.424 20 30 GEEDHM Cc1c2c(nc(S[C@H](C(N)=O)c3ccc(C#N)cc3)c1-c1nnn[n-]1)CCC2 ZINC000737217909 599011656 /nfs/dbraw/zinc/01/16/56/599011656.db2.gz GMRKJMLSOLJUSD-INIZCTEOSA-N -1 3 391.460 2.249 20 30 GEEDHM Cc1c2c(nc(S[C@H](C(N)=O)c3ccc(C#N)cc3)c1-c1nn[n-]n1)CCC2 ZINC000737217909 599011658 /nfs/dbraw/zinc/01/16/58/599011658.db2.gz GMRKJMLSOLJUSD-INIZCTEOSA-N -1 3 391.460 2.249 20 30 GEEDHM COc1ccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737083334 599127749 /nfs/dbraw/zinc/12/77/49/599127749.db2.gz QMQIMULSBJOBJG-UHFFFAOYSA-N -1 3 396.411 2.444 20 30 GEEDHM COc1ccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737083334 599127751 /nfs/dbraw/zinc/12/77/51/599127751.db2.gz QMQIMULSBJOBJG-UHFFFAOYSA-N -1 3 396.411 2.444 20 30 GEEDHM N#Cc1cc(NC(=O)c2cc(N3CCOC3=O)ccc2F)ccc1-c1nnn[n-]1 ZINC000737710024 599192470 /nfs/dbraw/zinc/19/24/70/599192470.db2.gz UGFRZFIDICDEHL-UHFFFAOYSA-N -1 3 393.338 2.086 20 30 GEEDHM N#Cc1cc(NC(=O)c2cc(N3CCOC3=O)ccc2F)ccc1-c1nn[n-]n1 ZINC000737710024 599192473 /nfs/dbraw/zinc/19/24/73/599192473.db2.gz UGFRZFIDICDEHL-UHFFFAOYSA-N -1 3 393.338 2.086 20 30 GEEDHM CC1CCC(N2C[C@@H](C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)CC2=O)CC1 ZINC000736242260 599195338 /nfs/dbraw/zinc/19/53/38/599195338.db2.gz QQOJXGKXKKNBIT-UGWHAMFMSA-N -1 3 393.451 2.104 20 30 GEEDHM CC1CCC(N2C[C@@H](C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)CC2=O)CC1 ZINC000736242260 599195341 /nfs/dbraw/zinc/19/53/41/599195341.db2.gz QQOJXGKXKKNBIT-UGWHAMFMSA-N -1 3 393.451 2.104 20 30 GEEDHM CC1CCC(N2C[C@H](C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)CC2=O)CC1 ZINC000736243670 599195627 /nfs/dbraw/zinc/19/56/27/599195627.db2.gz YEHWYMINNOQRPV-CXOJTPOUSA-N -1 3 393.451 2.104 20 30 GEEDHM CC1CCC(N2C[C@H](C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)CC2=O)CC1 ZINC000736243670 599195629 /nfs/dbraw/zinc/19/56/29/599195629.db2.gz YEHWYMINNOQRPV-CXOJTPOUSA-N -1 3 393.451 2.104 20 30 GEEDHM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819745571 607273547 /nfs/dbraw/zinc/27/35/47/607273547.db2.gz KHNVMNZHGGWJNC-UHFFFAOYSA-N -1 3 376.420 2.328 20 30 GEEDHM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819745571 607273548 /nfs/dbraw/zinc/27/35/48/607273548.db2.gz KHNVMNZHGGWJNC-UHFFFAOYSA-N -1 3 376.420 2.328 20 30 GEEDHM N#Cc1ccccc1COc1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1 ZINC000737726997 599257864 /nfs/dbraw/zinc/25/78/64/599257864.db2.gz ATTPRZIGKYROKH-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM N#Cc1ccccc1COc1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1 ZINC000737726997 599257866 /nfs/dbraw/zinc/25/78/66/599257866.db2.gz ATTPRZIGKYROKH-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000819744105 607334823 /nfs/dbraw/zinc/33/48/23/607334823.db2.gz WMAOCCUUSWVCBO-UHFFFAOYSA-N -1 3 394.410 2.202 20 30 GEEDHM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819744105 607334825 /nfs/dbraw/zinc/33/48/25/607334825.db2.gz WMAOCCUUSWVCBO-UHFFFAOYSA-N -1 3 394.410 2.202 20 30 GEEDHM COc1cccc([C@@H](C#N)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1OC ZINC000737120877 598240424 /nfs/dbraw/zinc/24/04/24/598240424.db2.gz IJOOBDUVERCQIN-MRXNPFEDSA-N -1 3 392.419 2.198 20 30 GEEDHM COc1cccc([C@@H](C#N)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1OC ZINC000737120877 598240425 /nfs/dbraw/zinc/24/04/25/598240425.db2.gz IJOOBDUVERCQIN-MRXNPFEDSA-N -1 3 392.419 2.198 20 30 GEEDHM C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735443402 598440853 /nfs/dbraw/zinc/44/08/53/598440853.db2.gz UHWBGWCAWZZMQH-UHFFFAOYSA-N -1 3 395.375 2.005 20 30 GEEDHM C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735443402 598440854 /nfs/dbraw/zinc/44/08/54/598440854.db2.gz UHWBGWCAWZZMQH-UHFFFAOYSA-N -1 3 395.375 2.005 20 30 GEEDHM COC[C@](C)(C#N)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000821680376 607357404 /nfs/dbraw/zinc/35/74/04/607357404.db2.gz HKLFHKSJNVMGBD-FQEVSTJZSA-N -1 3 392.419 2.104 20 30 GEEDHM COC[C@](C)(C#N)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000821680376 607357405 /nfs/dbraw/zinc/35/74/05/607357405.db2.gz HKLFHKSJNVMGBD-FQEVSTJZSA-N -1 3 392.419 2.104 20 30 GEEDHM N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737686524 598572429 /nfs/dbraw/zinc/57/24/29/598572429.db2.gz JGRYHJSUAPPXII-UHFFFAOYSA-N -1 3 396.432 2.196 20 30 GEEDHM N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737686524 598572431 /nfs/dbraw/zinc/57/24/31/598572431.db2.gz JGRYHJSUAPPXII-UHFFFAOYSA-N -1 3 396.432 2.196 20 30 GEEDHM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735425623 598692748 /nfs/dbraw/zinc/69/27/48/598692748.db2.gz CSMSHAQFBFXTLU-UHFFFAOYSA-N -1 3 398.423 2.254 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737513702 598708134 /nfs/dbraw/zinc/70/81/34/598708134.db2.gz RXLMXZAKYJEJLT-UHFFFAOYSA-N -1 3 397.414 2.409 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737513702 598708136 /nfs/dbraw/zinc/70/81/36/598708136.db2.gz RXLMXZAKYJEJLT-UHFFFAOYSA-N -1 3 397.414 2.409 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735419550 598712749 /nfs/dbraw/zinc/71/27/49/598712749.db2.gz VJBQESPQTRXMLX-ZDUSSCGKSA-N -1 3 387.465 2.091 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735419550 598712751 /nfs/dbraw/zinc/71/27/51/598712751.db2.gz VJBQESPQTRXMLX-ZDUSSCGKSA-N -1 3 387.465 2.091 20 30 GEEDHM Cc1nc(SCC(=O)N(CCC#N)CC2CC2)c(-c2nnn[n-]2)c(C)c1C ZINC000737484983 598753550 /nfs/dbraw/zinc/75/35/50/598753550.db2.gz XLDAWAKENHDLKM-UHFFFAOYSA-N -1 3 385.497 2.431 20 30 GEEDHM Cc1nc(SCC(=O)N(CCC#N)CC2CC2)c(-c2nn[n-]n2)c(C)c1C ZINC000737484983 598753551 /nfs/dbraw/zinc/75/35/51/598753551.db2.gz XLDAWAKENHDLKM-UHFFFAOYSA-N -1 3 385.497 2.431 20 30 GEEDHM C=CCSCCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735436139 598773327 /nfs/dbraw/zinc/77/33/27/598773327.db2.gz GNYFQHOUBXOGCB-UHFFFAOYSA-N -1 3 388.497 2.339 20 30 GEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000821609683 599337899 /nfs/dbraw/zinc/33/78/99/599337899.db2.gz HPHHPFPIZGJLSX-UHFFFAOYSA-N -1 3 388.840 2.212 20 30 GEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000821609683 599337901 /nfs/dbraw/zinc/33/79/01/599337901.db2.gz HPHHPFPIZGJLSX-UHFFFAOYSA-N -1 3 388.840 2.212 20 30 GEEDHM CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821609879 599338108 /nfs/dbraw/zinc/33/81/08/599338108.db2.gz PSGPROOPSWJNKC-UHFFFAOYSA-N -1 3 388.840 2.212 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cnn(C(C)C)c1 ZINC000819745477 599339747 /nfs/dbraw/zinc/33/97/47/599339747.db2.gz FSFUBMFKACGMNX-UHFFFAOYSA-N -1 3 387.469 2.021 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cnn(C(C)C)c1 ZINC000819745477 599339749 /nfs/dbraw/zinc/33/97/49/599339749.db2.gz FSFUBMFKACGMNX-UHFFFAOYSA-N -1 3 387.469 2.021 20 30 GEEDHM C#CCNC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819701912 599386323 /nfs/dbraw/zinc/38/63/23/599386323.db2.gz PTXWYUCAJGPJPK-GFCCVEGCSA-N -1 3 380.383 2.348 20 30 GEEDHM C#CCNC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819701912 599386324 /nfs/dbraw/zinc/38/63/24/599386324.db2.gz PTXWYUCAJGPJPK-GFCCVEGCSA-N -1 3 380.383 2.348 20 30 GEEDHM N#Cc1cc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)nc2ccccc12 ZINC000737705960 599403193 /nfs/dbraw/zinc/40/31/93/599403193.db2.gz SKBZSLAUWDIGKO-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)nc2ccccc12 ZINC000737705960 599403195 /nfs/dbraw/zinc/40/31/95/599403195.db2.gz SKBZSLAUWDIGKO-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccnc(N2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)c1 ZINC000737727669 599403209 /nfs/dbraw/zinc/40/32/09/599403209.db2.gz QGVNPHSTSWTQDB-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccnc(N2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)c1 ZINC000737727669 599403210 /nfs/dbraw/zinc/40/32/10/599403210.db2.gz QGVNPHSTSWTQDB-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nc2ccccc12 ZINC000737703986 599414571 /nfs/dbraw/zinc/41/45/71/599414571.db2.gz GNXZBIXSXSCOMD-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nc2ccccc12 ZINC000737703986 599414574 /nfs/dbraw/zinc/41/45/74/599414574.db2.gz GNXZBIXSXSCOMD-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM C=CCN(CC(=O)Nc1nc2c(s1)CCC2)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735417118 599443732 /nfs/dbraw/zinc/44/37/32/599443732.db2.gz ZCFOXXILGLDIJL-UHFFFAOYSA-N -1 3 395.492 2.439 20 30 GEEDHM C=CCN(CC(=O)Nc1nc2c(s1)CCC2)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735417118 599443734 /nfs/dbraw/zinc/44/37/34/599443734.db2.gz ZCFOXXILGLDIJL-UHFFFAOYSA-N -1 3 395.492 2.439 20 30 GEEDHM CC(C)(C)c1nc(C#N)c(N=NCc2cnc3ccc(-c4nnn[n-]4)cn23)o1 ZINC000735656581 599457370 /nfs/dbraw/zinc/45/73/70/599457370.db2.gz JKKYEILZIMIHPB-UHFFFAOYSA-N -1 3 376.384 2.118 20 30 GEEDHM CC(C)(C)c1nc(C#N)c(N=NCc2cnc3ccc(-c4nn[n-]n4)cn23)o1 ZINC000735656581 599457371 /nfs/dbraw/zinc/45/73/71/599457371.db2.gz JKKYEILZIMIHPB-UHFFFAOYSA-N -1 3 376.384 2.118 20 30 GEEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(OC)c1 ZINC000737066665 599457951 /nfs/dbraw/zinc/45/79/51/599457951.db2.gz QCSCWQBSLFWWGB-QPJJXVBHSA-N -1 3 376.376 2.428 20 30 GEEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(OC)c1 ZINC000737066665 599457953 /nfs/dbraw/zinc/45/79/53/599457953.db2.gz QCSCWQBSLFWWGB-QPJJXVBHSA-N -1 3 376.376 2.428 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822501195 599503762 /nfs/dbraw/zinc/50/37/62/599503762.db2.gz ZVKONBQVKPMHPI-ZDUSSCGKSA-N -1 3 392.467 2.404 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822501195 599503764 /nfs/dbraw/zinc/50/37/64/599503764.db2.gz ZVKONBQVKPMHPI-ZDUSSCGKSA-N -1 3 392.467 2.404 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N ZINC000826251353 607382637 /nfs/dbraw/zinc/38/26/37/607382637.db2.gz MVGRFERGJLERQO-GFCCVEGCSA-N -1 3 376.376 2.231 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N ZINC000826251353 607382639 /nfs/dbraw/zinc/38/26/39/607382639.db2.gz MVGRFERGJLERQO-GFCCVEGCSA-N -1 3 376.376 2.231 20 30 GEEDHM C=C(C)CN(CC)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000735399637 599593288 /nfs/dbraw/zinc/59/32/88/599593288.db2.gz RWXAMYYGCQNNPG-UHFFFAOYSA-N -1 3 375.376 2.472 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1cn(C)nc1C ZINC000735421387 599614303 /nfs/dbraw/zinc/61/43/03/599614303.db2.gz XXHMLISYOIYNNS-ZDUSSCGKSA-N -1 3 380.456 2.367 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1cn(C)nc1C ZINC000735421387 599614306 /nfs/dbraw/zinc/61/43/06/599614306.db2.gz XXHMLISYOIYNNS-ZDUSSCGKSA-N -1 3 380.456 2.367 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)ccc1-c1nnn[n-]1 ZINC000822823329 599631519 /nfs/dbraw/zinc/63/15/19/599631519.db2.gz OQPACIAOMXAOLM-UHFFFAOYSA-N -1 3 387.403 2.268 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)ccc1-c1nn[n-]n1 ZINC000822823329 599631520 /nfs/dbraw/zinc/63/15/20/599631520.db2.gz OQPACIAOMXAOLM-UHFFFAOYSA-N -1 3 387.403 2.268 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000819743833 599679475 /nfs/dbraw/zinc/67/94/75/599679475.db2.gz QRQPGWDMPIVZJV-AWEZNQCLSA-N -1 3 386.456 2.152 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000819743833 599679476 /nfs/dbraw/zinc/67/94/76/599679476.db2.gz QRQPGWDMPIVZJV-AWEZNQCLSA-N -1 3 386.456 2.152 20 30 GEEDHM N#Cc1ccc(OC[C@@H](O)CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739128373 599866206 /nfs/dbraw/zinc/86/62/06/599866206.db2.gz ARGAETSUSBWWPE-HNNXBMFYSA-N -1 3 376.359 2.163 20 30 GEEDHM C#CCN1CCC(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)CC1 ZINC000736080785 600486192 /nfs/dbraw/zinc/48/61/92/600486192.db2.gz XRWVKNWCJLVLIN-LJQANCHMSA-N -1 3 397.475 2.050 20 30 GEEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)CC1 ZINC000825642555 600665242 /nfs/dbraw/zinc/66/52/42/600665242.db2.gz WKQRMXQPCGEOPU-UHFFFAOYSA-N -1 3 375.425 2.333 20 30 GEEDHM COc1ccc(CNC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821799061 607463148 /nfs/dbraw/zinc/46/31/48/607463148.db2.gz YWWMLNREUKTMMD-UHFFFAOYSA-N -1 3 385.428 2.013 20 30 GEEDHM COc1ccc(CNC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821799061 607463150 /nfs/dbraw/zinc/46/31/50/607463150.db2.gz YWWMLNREUKTMMD-UHFFFAOYSA-N -1 3 385.428 2.013 20 30 GEEDHM CCc1cnc(CN(C(C)=O)[C@H]2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000830290300 601028601 /nfs/dbraw/zinc/02/86/01/601028601.db2.gz LBOIEMFKSSXILO-FXAWDEMLSA-N -1 3 396.447 2.357 20 30 GEEDHM CCc1cnc(CN(C(C)=O)[C@@H]2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000830290303 601028779 /nfs/dbraw/zinc/02/87/79/601028779.db2.gz LBOIEMFKSSXILO-YLJYHZDGSA-N -1 3 396.447 2.357 20 30 GEEDHM COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1-c1nnn[n-]1 ZINC000826195400 607501950 /nfs/dbraw/zinc/50/19/50/607501950.db2.gz RUARQNZZSHDMLM-SFHVURJKSA-N -1 3 389.463 2.085 20 30 GEEDHM COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1-c1nn[n-]n1 ZINC000826195400 607501952 /nfs/dbraw/zinc/50/19/52/607501952.db2.gz RUARQNZZSHDMLM-SFHVURJKSA-N -1 3 389.463 2.085 20 30 GEEDHM COC[C@@](C)(CC(=O)[O-])NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000831573469 601489141 /nfs/dbraw/zinc/48/91/41/601489141.db2.gz PDIRKCHEIZBYFZ-HXUWFJFHSA-N -1 3 390.484 2.500 20 30 GEEDHM COc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000826199349 607566085 /nfs/dbraw/zinc/56/60/85/607566085.db2.gz WQNWGCMWKKRUCI-LBPRGKRZSA-N -1 3 377.408 2.307 20 30 GEEDHM COc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000826199349 607566087 /nfs/dbraw/zinc/56/60/87/607566087.db2.gz WQNWGCMWKKRUCI-LBPRGKRZSA-N -1 3 377.408 2.307 20 30 GEEDHM CCOc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cccc(F)c1C#N ZINC000825615991 607576660 /nfs/dbraw/zinc/57/66/60/607576660.db2.gz RXAIYHBETCKKCP-UHFFFAOYSA-N -1 3 389.368 2.044 20 30 GEEDHM CCOc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cccc(F)c1C#N ZINC000825615991 607576662 /nfs/dbraw/zinc/57/66/62/607576662.db2.gz RXAIYHBETCKKCP-UHFFFAOYSA-N -1 3 389.368 2.044 20 30 GEEDHM COc1ccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826197195 607579594 /nfs/dbraw/zinc/57/95/94/607579594.db2.gz DPHVMGDUYXYVMP-UHFFFAOYSA-N -1 3 380.433 2.155 20 30 GEEDHM COc1ccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826197195 607579595 /nfs/dbraw/zinc/57/95/95/607579595.db2.gz DPHVMGDUYXYVMP-UHFFFAOYSA-N -1 3 380.433 2.155 20 30 GEEDHM Cc1nc(SCC(=O)OCc2ccnc(C#N)c2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327274 607599555 /nfs/dbraw/zinc/59/95/55/607599555.db2.gz AJMXDYJDALZKLX-UHFFFAOYSA-N -1 3 395.448 2.289 20 30 GEEDHM Cc1nc(SCC(=O)OCc2ccnc(C#N)c2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327274 607599556 /nfs/dbraw/zinc/59/95/56/607599556.db2.gz AJMXDYJDALZKLX-UHFFFAOYSA-N -1 3 395.448 2.289 20 30 GEEDHM COc1ccc(COC(=O)[C@H](C)Oc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000826204734 607600369 /nfs/dbraw/zinc/60/03/69/607600369.db2.gz XLJBBEWOILEVCX-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(COC(=O)[C@H](C)Oc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000826204734 607600371 /nfs/dbraw/zinc/60/03/71/607600371.db2.gz XLJBBEWOILEVCX-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM N#Cc1c(F)cccc1S(=O)(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826383450 607601249 /nfs/dbraw/zinc/60/12/49/607601249.db2.gz AXMYPRAAMMPQAB-UHFFFAOYSA-N -1 3 398.423 2.231 20 30 GEEDHM N#Cc1c(F)cccc1S(=O)(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826383450 607601250 /nfs/dbraw/zinc/60/12/50/607601250.db2.gz AXMYPRAAMMPQAB-UHFFFAOYSA-N -1 3 398.423 2.231 20 30 GEEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739605607 603152173 /nfs/dbraw/zinc/15/21/73/603152173.db2.gz BIENRULKJJLOIC-UHFFFAOYSA-N -1 3 387.484 2.210 20 30 GEEDHM C#CCOc1ccc(NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000823856137 607618014 /nfs/dbraw/zinc/61/80/14/607618014.db2.gz KJAIKOPCYOZFNP-UHFFFAOYSA-N -1 3 378.392 2.209 20 30 GEEDHM C#CCOc1ccc(NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000823856137 607618016 /nfs/dbraw/zinc/61/80/16/607618016.db2.gz KJAIKOPCYOZFNP-UHFFFAOYSA-N -1 3 378.392 2.209 20 30 GEEDHM Cc1cccc(S(=O)(=O)N[C@H](CCC#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826302141 607679904 /nfs/dbraw/zinc/67/99/04/607679904.db2.gz BDGBHTKKOGGXEH-OAHLLOKOSA-N -1 3 382.449 2.499 20 30 GEEDHM Cc1cccc(S(=O)(=O)N[C@H](CCC#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826302141 607679905 /nfs/dbraw/zinc/67/99/05/607679905.db2.gz BDGBHTKKOGGXEH-OAHLLOKOSA-N -1 3 382.449 2.499 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000826256118 607691489 /nfs/dbraw/zinc/69/14/89/607691489.db2.gz VRYXRRBRVIGYQW-UHFFFAOYSA-N -1 3 380.433 2.014 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000826256118 607691491 /nfs/dbraw/zinc/69/14/91/607691491.db2.gz VRYXRRBRVIGYQW-UHFFFAOYSA-N -1 3 380.433 2.014 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1nc(C(F)(F)F)cs1 ZINC000826383899 607710696 /nfs/dbraw/zinc/71/06/96/607710696.db2.gz WQAKSVJGYQSLMP-UHFFFAOYSA-N -1 3 384.372 2.483 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1nc(C(F)(F)F)cs1 ZINC000826383899 607710697 /nfs/dbraw/zinc/71/06/97/607710697.db2.gz WQAKSVJGYQSLMP-UHFFFAOYSA-N -1 3 384.372 2.483 20 30 GEEDHM N#CCC[C@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000826381448 607712435 /nfs/dbraw/zinc/71/24/35/607712435.db2.gz MEKUEJQSKJBEDL-INIZCTEOSA-N -1 3 391.439 2.018 20 30 GEEDHM N#CCC[C@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000826381448 607712436 /nfs/dbraw/zinc/71/24/36/607712436.db2.gz MEKUEJQSKJBEDL-INIZCTEOSA-N -1 3 391.439 2.018 20 30 GEEDHM CCOC(=O)Nc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000825531480 607759222 /nfs/dbraw/zinc/75/92/22/607759222.db2.gz LCFLZXOSGUWDSH-UHFFFAOYSA-N -1 3 391.391 2.488 20 30 GEEDHM CCOC(=O)Nc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000825531480 607759223 /nfs/dbraw/zinc/75/92/23/607759223.db2.gz LCFLZXOSGUWDSH-UHFFFAOYSA-N -1 3 391.391 2.488 20 30 GEEDHM N#Cc1cccnc1N1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000822842665 606031244 /nfs/dbraw/zinc/03/12/44/606031244.db2.gz SQCWERCVLNUGHF-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cccnc1N1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000822842665 606031249 /nfs/dbraw/zinc/03/12/49/606031249.db2.gz SQCWERCVLNUGHF-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#C[C@@H](c1ccccc1)N1CCN(CCOc2ccccc2-c2nnn[n-]2)CC1 ZINC000822802102 606073224 /nfs/dbraw/zinc/07/32/24/606073224.db2.gz VOAFSTQMFNTZLM-IBGZPJMESA-N -1 3 389.463 2.128 20 30 GEEDHM N#C[C@@H](c1ccccc1)N1CCN(CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC000822802102 606073229 /nfs/dbraw/zinc/07/32/29/606073229.db2.gz VOAFSTQMFNTZLM-IBGZPJMESA-N -1 3 389.463 2.128 20 30 GEEDHM CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2cc(-c3nnn[n-]3)cs2)C1=O ZINC000820966082 606203744 /nfs/dbraw/zinc/20/37/44/606203744.db2.gz BTSCQRWNUMLKOR-QGZVFWFLSA-N -1 3 381.421 2.119 20 30 GEEDHM CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2cc(-c3nn[n-]n3)cs2)C1=O ZINC000820966082 606203747 /nfs/dbraw/zinc/20/37/47/606203747.db2.gz BTSCQRWNUMLKOR-QGZVFWFLSA-N -1 3 381.421 2.119 20 30 GEEDHM O=S(=O)(c1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)cc1)C(F)F ZINC000823607359 606206915 /nfs/dbraw/zinc/20/69/15/606206915.db2.gz SNXFVGWSIXODRL-UHFFFAOYSA-N -1 3 384.393 2.371 20 30 GEEDHM O=S(=O)(c1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)cc1)C(F)F ZINC000823607359 606206916 /nfs/dbraw/zinc/20/69/16/606206916.db2.gz SNXFVGWSIXODRL-UHFFFAOYSA-N -1 3 384.393 2.371 20 30 GEEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000819740238 606234852 /nfs/dbraw/zinc/23/48/52/606234852.db2.gz VPIXPXLIKURZHV-UHFFFAOYSA-N -1 3 391.435 2.272 20 30 GEEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000819740238 606234854 /nfs/dbraw/zinc/23/48/54/606234854.db2.gz VPIXPXLIKURZHV-UHFFFAOYSA-N -1 3 391.435 2.272 20 30 GEEDHM N#C[C@H]1COCCN1C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822807116 606285024 /nfs/dbraw/zinc/28/50/24/606285024.db2.gz YSZNGUBHUMEMQA-AWEZNQCLSA-N -1 3 392.444 2.382 20 30 GEEDHM N#C[C@H]1COCCN1C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822807116 606285025 /nfs/dbraw/zinc/28/50/25/606285025.db2.gz YSZNGUBHUMEMQA-AWEZNQCLSA-N -1 3 392.444 2.382 20 30 GEEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000821613327 606315915 /nfs/dbraw/zinc/31/59/15/606315915.db2.gz IFZHZPPDCGCOLN-HNNXBMFYSA-N -1 3 379.449 2.037 20 30 GEEDHM COc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821834982 606370951 /nfs/dbraw/zinc/37/09/51/606370951.db2.gz AAMLKWXRFMGYKZ-UHFFFAOYSA-N -1 3 377.430 2.396 20 30 GEEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)ccc1S(C)(=O)=O ZINC000821702953 606390733 /nfs/dbraw/zinc/39/07/33/606390733.db2.gz IPFDPAQOYQASFG-XQRVVYSFSA-N -1 3 390.446 2.236 20 30 GEEDHM N#Cc1cnc2ccc(Cl)cc2c1NCCNc1ncccc1-c1nnn[n-]1 ZINC000822842641 606461350 /nfs/dbraw/zinc/46/13/50/606461350.db2.gz RQBLPSOMGYFVIV-UHFFFAOYSA-N -1 3 391.826 2.281 20 30 GEEDHM N#Cc1cnc2ccc(Cl)cc2c1NCCNc1ncccc1-c1nn[n-]n1 ZINC000822842641 606461351 /nfs/dbraw/zinc/46/13/51/606461351.db2.gz RQBLPSOMGYFVIV-UHFFFAOYSA-N -1 3 391.826 2.281 20 30 GEEDHM N#Cc1cccnc1NCCNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000822842782 606461502 /nfs/dbraw/zinc/46/15/02/606461502.db2.gz YKHGJQWGGOAMEK-UHFFFAOYSA-N -1 3 391.826 2.281 20 30 GEEDHM N#Cc1cccnc1NCCNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000822842782 606461503 /nfs/dbraw/zinc/46/15/03/606461503.db2.gz YKHGJQWGGOAMEK-UHFFFAOYSA-N -1 3 391.826 2.281 20 30 GEEDHM C[C@@H](Nc1ccn(CCC#N)n1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820461394 606655578 /nfs/dbraw/zinc/65/55/78/606655578.db2.gz JDGYFEFVQGDGGT-SNVBAGLBSA-N -1 3 385.819 2.069 20 30 GEEDHM C[C@@H](Nc1ccn(CCC#N)n1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820461394 606655579 /nfs/dbraw/zinc/65/55/79/606655579.db2.gz JDGYFEFVQGDGGT-SNVBAGLBSA-N -1 3 385.819 2.069 20 30 GEEDHM COC[C@@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821680636 606775487 /nfs/dbraw/zinc/77/54/87/606775487.db2.gz PDYXUZMMIYZYEQ-LJQANCHMSA-N -1 3 378.392 2.317 20 30 GEEDHM COC[C@@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821680636 606775490 /nfs/dbraw/zinc/77/54/90/606775490.db2.gz PDYXUZMMIYZYEQ-LJQANCHMSA-N -1 3 378.392 2.317 20 30 GEEDHM CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000819939565 606849190 /nfs/dbraw/zinc/84/91/90/606849190.db2.gz GJIPCTSFAKMACW-UHFFFAOYSA-N -1 3 385.428 2.228 20 30 GEEDHM CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000819939565 606849191 /nfs/dbraw/zinc/84/91/91/606849191.db2.gz GJIPCTSFAKMACW-UHFFFAOYSA-N -1 3 385.428 2.228 20 30 GEEDHM Cc1cc(C#N)ccc1Oc1ccc(C(=O)n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000822162034 606850237 /nfs/dbraw/zinc/85/02/37/606850237.db2.gz WRPRSFDHIUFJBV-UHFFFAOYSA-N -1 3 386.375 2.306 20 30 GEEDHM N#CCCN(c1ccccc1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822811418 606866472 /nfs/dbraw/zinc/86/64/72/606866472.db2.gz YVJLPILUSSSIPY-UHFFFAOYSA-N -1 3 390.375 2.254 20 30 GEEDHM N#CCCN(c1ccccc1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822811418 606866474 /nfs/dbraw/zinc/86/64/74/606866474.db2.gz YVJLPILUSSSIPY-UHFFFAOYSA-N -1 3 390.375 2.254 20 30 GEEDHM CCS[C@@H](C)c1noc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)n1 ZINC000821449106 606980465 /nfs/dbraw/zinc/98/04/65/606980465.db2.gz PZPAGSKCBGEXKX-ZETCQYMHSA-N -1 3 389.470 2.205 20 30 GEEDHM CCS[C@@H](C)c1noc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)n1 ZINC000821449106 606980467 /nfs/dbraw/zinc/98/04/67/606980467.db2.gz PZPAGSKCBGEXKX-ZETCQYMHSA-N -1 3 389.470 2.205 20 30 GEEDHM N#CCn1c(CSc2cccc(-c3nnn[n-]3)c2)nc2ccccc2c1=O ZINC000822815531 607015458 /nfs/dbraw/zinc/01/54/58/607015458.db2.gz SIVCTROEEBPJQP-UHFFFAOYSA-N -1 3 375.417 2.392 20 30 GEEDHM N#CCn1c(CSc2cccc(-c3nn[n-]n3)c2)nc2ccccc2c1=O ZINC000822815531 607015460 /nfs/dbraw/zinc/01/54/60/607015460.db2.gz SIVCTROEEBPJQP-UHFFFAOYSA-N -1 3 375.417 2.392 20 30 GEEDHM Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000799790658 607049934 /nfs/dbraw/zinc/04/99/34/607049934.db2.gz MACOZHCQLJGEEO-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000799790658 607049937 /nfs/dbraw/zinc/04/99/37/607049937.db2.gz MACOZHCQLJGEEO-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM N#Cc1ccc(F)cc1CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000822830068 607063300 /nfs/dbraw/zinc/06/33/00/607063300.db2.gz TYAPUVINGXBYDR-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000822801726 607068962 /nfs/dbraw/zinc/06/89/62/607068962.db2.gz NFLHVPWSOAGIID-IBGZPJMESA-N -1 3 377.427 2.388 20 30 GEEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000822801726 607068963 /nfs/dbraw/zinc/06/89/63/607068963.db2.gz NFLHVPWSOAGIID-IBGZPJMESA-N -1 3 377.427 2.388 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn(-c2cccnc2)c1 ZINC000819745952 607082295 /nfs/dbraw/zinc/08/22/95/607082295.db2.gz WKCHIQOHEVMNEX-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnn(-c2cccnc2)c1 ZINC000819745952 607082296 /nfs/dbraw/zinc/08/22/96/607082296.db2.gz WKCHIQOHEVMNEX-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C[C@H](Nc1ccc(F)cc1OCC#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820455701 607145055 /nfs/dbraw/zinc/14/50/55/607145055.db2.gz LXEOMBUJTLNXJX-NSHDSACASA-N -1 3 381.371 2.347 20 30 GEEDHM C[C@H](Nc1ccc(F)cc1OCC#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820455701 607145057 /nfs/dbraw/zinc/14/50/57/607145057.db2.gz LXEOMBUJTLNXJX-NSHDSACASA-N -1 3 381.371 2.347 20 30 GEEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820555291 607156696 /nfs/dbraw/zinc/15/66/96/607156696.db2.gz ILVYPWNWZUBKHR-JTQLQIEISA-N -1 3 390.436 2.150 20 30 GEEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820555291 607156697 /nfs/dbraw/zinc/15/66/97/607156697.db2.gz ILVYPWNWZUBKHR-JTQLQIEISA-N -1 3 390.436 2.150 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000819743342 607213775 /nfs/dbraw/zinc/21/37/75/607213775.db2.gz HDYKZEKIFXFTJP-CYBMUJFWSA-N -1 3 380.456 2.227 20 30 GEEDHM N#Cc1ccc(SCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826385951 607817136 /nfs/dbraw/zinc/81/71/36/607817136.db2.gz IWSVTAYULMRTNG-UHFFFAOYSA-N -1 3 389.437 2.443 20 30 GEEDHM N#Cc1ccc(SCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826385951 607817137 /nfs/dbraw/zinc/81/71/37/607817137.db2.gz IWSVTAYULMRTNG-UHFFFAOYSA-N -1 3 389.437 2.443 20 30 GEEDHM N#Cc1ccc2nc(N3CCN(c4ncccc4-c4nnn[n-]4)CC3)ccc2c1 ZINC000826385892 607838965 /nfs/dbraw/zinc/83/89/65/607838965.db2.gz GMIRNFGQFQQJAE-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccc2nc(N3CCN(c4ncccc4-c4nn[n-]n4)CC3)ccc2c1 ZINC000826385892 607838966 /nfs/dbraw/zinc/83/89/66/607838966.db2.gz GMIRNFGQFQQJAE-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#CCc1ccc(OC[C@H](O)COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826382722 607872739 /nfs/dbraw/zinc/87/27/39/607872739.db2.gz RSQXLKFNDRPRLN-AWEZNQCLSA-N -1 3 385.811 2.405 20 30 GEEDHM N#CCc1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826382722 607872740 /nfs/dbraw/zinc/87/27/40/607872740.db2.gz RSQXLKFNDRPRLN-AWEZNQCLSA-N -1 3 385.811 2.405 20 30 GEEDHM CC(C)C[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824229597 607880232 /nfs/dbraw/zinc/88/02/32/607880232.db2.gz SMFMZMTZKFAABE-VIFPVBQESA-N -1 3 388.375 2.102 20 30 GEEDHM CC(C)C[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824229597 607880233 /nfs/dbraw/zinc/88/02/33/607880233.db2.gz SMFMZMTZKFAABE-VIFPVBQESA-N -1 3 388.375 2.102 20 30 GEEDHM CN(CCCNC(=S)NN=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000825919295 607888665 /nfs/dbraw/zinc/88/86/65/607888665.db2.gz YJVVXOHFLRFYPA-UHFFFAOYSA-N -1 3 394.508 2.191 20 30 GEEDHM CN(CCCNC(=S)NN=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000825919295 607888666 /nfs/dbraw/zinc/88/86/66/607888666.db2.gz YJVVXOHFLRFYPA-UHFFFAOYSA-N -1 3 394.508 2.191 20 30 GEEDHM C#CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823838394 607944432 /nfs/dbraw/zinc/94/44/32/607944432.db2.gz PJCBHWYPOFEPMI-MRXNPFEDSA-N -1 3 394.822 2.339 20 30 GEEDHM C#CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823838394 607944433 /nfs/dbraw/zinc/94/44/33/607944433.db2.gz PJCBHWYPOFEPMI-MRXNPFEDSA-N -1 3 394.822 2.339 20 30 GEEDHM C=CCCOCCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823899089 607944508 /nfs/dbraw/zinc/94/45/08/607944508.db2.gz KVSGVYIZGLZBCY-UHFFFAOYSA-N -1 3 383.408 2.361 20 30 GEEDHM C=CCCOCCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823899089 607944509 /nfs/dbraw/zinc/94/45/09/607944509.db2.gz KVSGVYIZGLZBCY-UHFFFAOYSA-N -1 3 383.408 2.361 20 30 GEEDHM C#CC[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000823837674 607956011 /nfs/dbraw/zinc/95/60/11/607956011.db2.gz FMLJRTRUXMOJLN-INIZCTEOSA-N -1 3 377.404 2.135 20 30 GEEDHM C#CC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000823837674 607956012 /nfs/dbraw/zinc/95/60/12/607956012.db2.gz FMLJRTRUXMOJLN-INIZCTEOSA-N -1 3 377.404 2.135 20 30 GEEDHM C#CC[C@@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)c1ccccc1 ZINC000823837865 607956191 /nfs/dbraw/zinc/95/61/91/607956191.db2.gz HWIATLXFPOQCTG-GOSISDBHSA-N -1 3 398.430 2.129 20 30 GEEDHM C#CC[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)c1ccccc1 ZINC000823837865 607956192 /nfs/dbraw/zinc/95/61/92/607956192.db2.gz HWIATLXFPOQCTG-GOSISDBHSA-N -1 3 398.430 2.129 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C)nc2ccnn2c1C ZINC000823914418 608026873 /nfs/dbraw/zinc/02/68/73/608026873.db2.gz ILBVIHPLHGFIJJ-UHFFFAOYSA-N -1 3 388.435 2.355 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(C)nc2ccnn2c1C ZINC000823914418 608026874 /nfs/dbraw/zinc/02/68/74/608026874.db2.gz ILBVIHPLHGFIJJ-UHFFFAOYSA-N -1 3 388.435 2.355 20 30 GEEDHM N#Cc1cccc(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826387519 608049321 /nfs/dbraw/zinc/04/93/21/608049321.db2.gz ZDGFVPASVIZJHX-KRWDZBQOSA-N -1 3 375.392 2.344 20 30 GEEDHM N#Cc1cccc(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826387519 608049322 /nfs/dbraw/zinc/04/93/22/608049322.db2.gz ZDGFVPASVIZJHX-KRWDZBQOSA-N -1 3 375.392 2.344 20 30 GEEDHM N#Cc1cccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826387520 608049327 /nfs/dbraw/zinc/04/93/27/608049327.db2.gz ZDGFVPASVIZJHX-QGZVFWFLSA-N -1 3 375.392 2.344 20 30 GEEDHM N#Cc1cccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826387520 608049328 /nfs/dbraw/zinc/04/93/28/608049328.db2.gz ZDGFVPASVIZJHX-QGZVFWFLSA-N -1 3 375.392 2.344 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826384180 608053456 /nfs/dbraw/zinc/05/34/56/608053456.db2.gz KFYBCODLKBABHV-QGZVFWFLSA-N -1 3 377.364 2.224 20 30 GEEDHM N#Cc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826384180 608053457 /nfs/dbraw/zinc/05/34/57/608053457.db2.gz KFYBCODLKBABHV-QGZVFWFLSA-N -1 3 377.364 2.224 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(CCOc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000826386952 608070691 /nfs/dbraw/zinc/07/06/91/608070691.db2.gz ZJANSGSDCOBIIM-IBGZPJMESA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(CCOc3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC000826386952 608070692 /nfs/dbraw/zinc/07/06/92/608070692.db2.gz ZJANSGSDCOBIIM-IBGZPJMESA-N -1 3 376.420 2.191 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000826386786 608089630 /nfs/dbraw/zinc/08/96/30/608089630.db2.gz SRFZHLFQPMUARL-OLHLWXQYSA-N -1 3 386.415 2.352 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC000826386786 608089631 /nfs/dbraw/zinc/08/96/31/608089631.db2.gz SRFZHLFQPMUARL-OLHLWXQYSA-N -1 3 386.415 2.352 20 30 GEEDHM CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823953872 608091757 /nfs/dbraw/zinc/09/17/57/608091757.db2.gz TVHXMNQUCLUWBL-UHFFFAOYSA-N -1 3 376.467 2.248 20 30 GEEDHM CCn1c(NC(=O)COc2ccc(C#N)cc2)nc2cc(-c3nnn[n-]3)ccc21 ZINC000825793525 608179373 /nfs/dbraw/zinc/17/93/73/608179373.db2.gz WDDNHBIBLITHNL-UHFFFAOYSA-N -1 3 388.391 2.125 20 30 GEEDHM CCn1c(NC(=O)COc2ccc(C#N)cc2)nc2cc(-c3nn[n-]n3)ccc21 ZINC000825793525 608179375 /nfs/dbraw/zinc/17/93/75/608179375.db2.gz WDDNHBIBLITHNL-UHFFFAOYSA-N -1 3 388.391 2.125 20 30 GEEDHM N#Cc1ccc(N2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)nc1 ZINC000826385757 608223598 /nfs/dbraw/zinc/22/35/98/608223598.db2.gz ZEAAIWPSIBULCM-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccc(N2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)nc1 ZINC000826385757 608223599 /nfs/dbraw/zinc/22/35/99/608223599.db2.gz ZEAAIWPSIBULCM-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C[C@@H](c2cccnc2)CC1=O ZINC000823915347 608235942 /nfs/dbraw/zinc/23/59/42/608235942.db2.gz VUHDNMGRWCTJDB-IBGZPJMESA-N -1 3 389.463 2.223 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C[C@@H](c2cccnc2)CC1=O ZINC000823915347 608235943 /nfs/dbraw/zinc/23/59/43/608235943.db2.gz VUHDNMGRWCTJDB-IBGZPJMESA-N -1 3 389.463 2.223 20 30 GEEDHM C[C@@H](OC(=O)C#Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824706942 608316964 /nfs/dbraw/zinc/31/69/64/608316964.db2.gz MFTGMEVDHHKXQY-GFCCVEGCSA-N -1 3 395.806 2.442 20 30 GEEDHM C[C@@H](OC(=O)C#Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824706942 608316966 /nfs/dbraw/zinc/31/69/66/608316966.db2.gz MFTGMEVDHHKXQY-GFCCVEGCSA-N -1 3 395.806 2.442 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000826169879 608353716 /nfs/dbraw/zinc/35/37/16/608353716.db2.gz IOSOMPHUPUFQSN-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000826169879 608353717 /nfs/dbraw/zinc/35/37/17/608353717.db2.gz IOSOMPHUPUFQSN-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000824304854 608493596 /nfs/dbraw/zinc/49/35/96/608493596.db2.gz GPEPVWHMZPZKTO-UHFFFAOYSA-N -1 3 375.392 2.129 20 30 GEEDHM CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000824304854 608493597 /nfs/dbraw/zinc/49/35/97/608493597.db2.gz GPEPVWHMZPZKTO-UHFFFAOYSA-N -1 3 375.392 2.129 20 30 GEEDHM Cc1cc(F)ccc1-n1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1 ZINC000826268206 608494781 /nfs/dbraw/zinc/49/47/81/608494781.db2.gz OCJTVLZJOHTWFT-UHFFFAOYSA-N -1 3 389.354 2.019 20 30 GEEDHM Cc1cc(F)ccc1-n1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1 ZINC000826268206 608494783 /nfs/dbraw/zinc/49/47/83/608494783.db2.gz OCJTVLZJOHTWFT-UHFFFAOYSA-N -1 3 389.354 2.019 20 30 GEEDHM Oc1ccc(C=NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c(O)c1O ZINC000826511029 608527198 /nfs/dbraw/zinc/52/71/98/608527198.db2.gz YLFJCOQZMLGRLU-UKWGHVSLSA-N -1 3 396.407 2.188 20 30 GEEDHM Oc1ccc(C=NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c(O)c1O ZINC000826511029 608527200 /nfs/dbraw/zinc/52/72/00/608527200.db2.gz YLFJCOQZMLGRLU-UKWGHVSLSA-N -1 3 396.407 2.188 20 30 GEEDHM COc1cc(OC)c(OC)cc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826181141 608541969 /nfs/dbraw/zinc/54/19/69/608541969.db2.gz MIJZBLHVJYJZTR-UHFFFAOYSA-N -1 3 389.803 2.387 20 30 GEEDHM COc1cc(OC)c(OC)cc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826181141 608541970 /nfs/dbraw/zinc/54/19/70/608541970.db2.gz MIJZBLHVJYJZTR-UHFFFAOYSA-N -1 3 389.803 2.387 20 30 GEEDHM N#C[C@H]1CSCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826380664 608547821 /nfs/dbraw/zinc/54/78/21/608547821.db2.gz JCAXEWVIBLKGFJ-AWEZNQCLSA-N -1 3 393.432 2.135 20 30 GEEDHM N#C[C@H]1CSCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826380664 608547823 /nfs/dbraw/zinc/54/78/23/608547823.db2.gz JCAXEWVIBLKGFJ-AWEZNQCLSA-N -1 3 393.432 2.135 20 30 GEEDHM N#C[C@H]1CN(Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000826380894 608685484 /nfs/dbraw/zinc/68/54/84/608685484.db2.gz PQYHJIMQRLIZPU-SFHVURJKSA-N -1 3 376.420 2.170 20 30 GEEDHM N#C[C@H]1CN(Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCO1 ZINC000826380894 608685487 /nfs/dbraw/zinc/68/54/87/608685487.db2.gz PQYHJIMQRLIZPU-SFHVURJKSA-N -1 3 376.420 2.170 20 30 GEEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826379858 609141978 /nfs/dbraw/zinc/14/19/78/609141978.db2.gz FKBIHJSSPZUGMO-IBGZPJMESA-N -1 3 377.427 2.388 20 30 GEEDHM Cc1cc(C(=O)N2CCC(C)(C#N)CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257928 609173907 /nfs/dbraw/zinc/17/39/07/609173907.db2.gz TVDWBBOYTUMLJG-UHFFFAOYSA-N -1 3 376.424 2.127 20 30 GEEDHM Cc1cc(C(=O)N2CCC(C)(C#N)CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257928 609173909 /nfs/dbraw/zinc/17/39/09/609173909.db2.gz TVDWBBOYTUMLJG-UHFFFAOYSA-N -1 3 376.424 2.127 20 30 GEEDHM N#Cc1csc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826387565 609292954 /nfs/dbraw/zinc/29/29/54/609292954.db2.gz CABRDEIZDINOEX-UHFFFAOYSA-N -1 3 380.368 2.377 20 30 GEEDHM N#Cc1ccc(S[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nc1 ZINC000826385858 609418825 /nfs/dbraw/zinc/41/88/25/609418825.db2.gz FEYIJIIZCCICFN-HNNXBMFYSA-N -1 3 377.433 2.421 20 30 GEEDHM N#Cc1ccc(S[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nc1 ZINC000826385858 609418826 /nfs/dbraw/zinc/41/88/26/609418826.db2.gz FEYIJIIZCCICFN-HNNXBMFYSA-N -1 3 377.433 2.421 20 30 GEEDHM COc1cc(C#N)ccc1O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826176800 609427913 /nfs/dbraw/zinc/42/79/13/609427913.db2.gz DUKVAVDKZXVAMN-QGZVFWFLSA-N -1 3 390.403 2.321 20 30 GEEDHM COc1cc(C#N)ccc1O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826176800 609427914 /nfs/dbraw/zinc/42/79/14/609427914.db2.gz DUKVAVDKZXVAMN-QGZVFWFLSA-N -1 3 390.403 2.321 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1-n1ccnn1 ZINC000823914936 609498939 /nfs/dbraw/zinc/49/89/39/609498939.db2.gz PIIQJYVJGHEZEZ-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1-n1ccnn1 ZINC000823914936 609498941 /nfs/dbraw/zinc/49/89/41/609498941.db2.gz PIIQJYVJGHEZEZ-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000826254909 609543611 /nfs/dbraw/zinc/54/36/11/609543611.db2.gz FJPIQGXJESTBRQ-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000826254909 609543613 /nfs/dbraw/zinc/54/36/13/609543613.db2.gz FJPIQGXJESTBRQ-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824469595 609587838 /nfs/dbraw/zinc/58/78/38/609587838.db2.gz APEOXINQWNGHAN-BLVKFPJESA-N -1 3 384.440 2.306 20 30 GEEDHM C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824469595 609587839 /nfs/dbraw/zinc/58/78/39/609587839.db2.gz APEOXINQWNGHAN-BLVKFPJESA-N -1 3 384.440 2.306 20 30 GEEDHM 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CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000291012998 532894691 /nfs/dbraw/zinc/89/46/91/532894691.db2.gz WMTWQXFMHFVCBN-OAHLLOKOSA-N -1 3 398.282 2.304 20 30 GEEDHM COc1c(S(=O)(=O)[N-][C@@H](C)CC#N)cc(Br)c(C)c1[N+](=O)[O-] ZINC000276844795 532902108 /nfs/dbraw/zinc/90/21/08/532902108.db2.gz CQIOOQRNCDFYFS-ZETCQYMHSA-N -1 3 392.231 2.255 20 30 GEEDHM C=CCN(CCC#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000292705387 532917882 /nfs/dbraw/zinc/91/78/82/532917882.db2.gz QXZKSNBPLSEPGZ-UHFFFAOYSA-N -1 3 385.511 2.319 20 30 GEEDHM C[C@@H](CC#N)N(C)S(=O)(=O)[N-]Cc1noc(-c2ccc(Cl)cc2F)n1 ZINC000369319316 532938395 /nfs/dbraw/zinc/93/83/95/532938395.db2.gz MGVKTTFBXYZYJJ-VIFPVBQESA-N -1 3 387.824 2.097 20 30 GEEDHM CC(=O)N1CCc2cc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)ccc21 ZINC000015760052 221343212 /nfs/dbraw/zinc/34/32/12/221343212.db2.gz SNVKDIZFHKVODI-UHFFFAOYSA-N -1 3 378.432 2.344 20 30 GEEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736308934 598866783 /nfs/dbraw/zinc/86/67/83/598866783.db2.gz JRKULUGKERVOIC-MRXNPFEDSA-N -1 3 392.419 2.243 20 30 GEEDHM C#CCSCCNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735387891 598887947 /nfs/dbraw/zinc/88/79/47/598887947.db2.gz JQGWDRSVJHBCSG-UHFFFAOYSA-N -1 3 399.505 2.402 20 30 GEEDHM C#CCSCCNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735387891 598887949 /nfs/dbraw/zinc/88/79/49/598887949.db2.gz JQGWDRSVJHBCSG-UHFFFAOYSA-N -1 3 399.505 2.402 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736896762 598895823 /nfs/dbraw/zinc/89/58/23/598895823.db2.gz JUBCGWIDQULHFE-ZGKFYVQTSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736896762 598895825 /nfs/dbraw/zinc/89/58/25/598895825.db2.gz JUBCGWIDQULHFE-ZGKFYVQTSA-N -1 3 389.371 2.209 20 30 GEEDHM Cc1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nn1-c1ccc(F)cc1 ZINC000737467671 598913874 /nfs/dbraw/zinc/91/38/74/598913874.db2.gz HERBBIKCAWDMCF-UHFFFAOYSA-N -1 3 389.354 2.019 20 30 GEEDHM Cc1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nn1-c1ccc(F)cc1 ZINC000737467671 598913876 /nfs/dbraw/zinc/91/38/76/598913876.db2.gz HERBBIKCAWDMCF-UHFFFAOYSA-N -1 3 389.354 2.019 20 30 GEEDHM CC(=O)N[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000735474016 598914538 /nfs/dbraw/zinc/91/45/38/598914538.db2.gz GKCCNJCXZGMLJM-AWEZNQCLSA-N -1 3 381.421 2.006 20 30 GEEDHM CC(=O)N[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000735474016 598914540 /nfs/dbraw/zinc/91/45/40/598914540.db2.gz GKCCNJCXZGMLJM-AWEZNQCLSA-N -1 3 381.421 2.006 20 30 GEEDHM N#Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000737717750 598916073 /nfs/dbraw/zinc/91/60/73/598916073.db2.gz ANYZJTGTDOWHOW-UHFFFAOYSA-N -1 3 390.363 2.473 20 30 GEEDHM N#Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000737717750 598916075 /nfs/dbraw/zinc/91/60/75/598916075.db2.gz ANYZJTGTDOWHOW-UHFFFAOYSA-N -1 3 390.363 2.473 20 30 GEEDHM N#Cc1cc(NC(=O)c2nc(N3CCCC3)ncc2Cl)ccc1-c1nnn[n-]1 ZINC000737708324 598916989 /nfs/dbraw/zinc/91/69/89/598916989.db2.gz CKQSCSMPOINUHU-UHFFFAOYSA-N -1 3 395.814 2.034 20 30 GEEDHM N#Cc1cc(NC(=O)c2nc(N3CCCC3)ncc2Cl)ccc1-c1nn[n-]n1 ZINC000737708324 598916991 /nfs/dbraw/zinc/91/69/91/598916991.db2.gz CKQSCSMPOINUHU-UHFFFAOYSA-N -1 3 395.814 2.034 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000737718344 598920625 /nfs/dbraw/zinc/92/06/25/598920625.db2.gz HYSHATAEYHMMFL-UHFFFAOYSA-N -1 3 382.767 2.415 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1-c1nn[n-]n1 ZINC000737718344 598920627 /nfs/dbraw/zinc/92/06/27/598920627.db2.gz HYSHATAEYHMMFL-UHFFFAOYSA-N -1 3 382.767 2.415 20 30 GEEDHM Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c12 ZINC000737511617 598922969 /nfs/dbraw/zinc/92/29/69/598922969.db2.gz PNVUKNUDBDHBHK-UHFFFAOYSA-N -1 3 399.418 2.458 20 30 GEEDHM Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c12 ZINC000737511617 598922970 /nfs/dbraw/zinc/92/29/70/598922970.db2.gz PNVUKNUDBDHBHK-UHFFFAOYSA-N -1 3 399.418 2.458 20 30 GEEDHM Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c12 ZINC000737511939 598923127 /nfs/dbraw/zinc/92/31/27/598923127.db2.gz SAJQDBYOXDEAMB-UHFFFAOYSA-N -1 3 399.418 2.458 20 30 GEEDHM Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c12 ZINC000737511939 598923129 /nfs/dbraw/zinc/92/31/29/598923129.db2.gz SAJQDBYOXDEAMB-UHFFFAOYSA-N -1 3 399.418 2.458 20 30 GEEDHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(OC)c1OC ZINC000737072556 598926322 /nfs/dbraw/zinc/92/63/22/598926322.db2.gz RXGJSIAPJAYUCY-UHFFFAOYSA-N -1 3 380.364 2.016 20 30 GEEDHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(OC)c1OC ZINC000737072556 598926324 /nfs/dbraw/zinc/92/63/24/598926324.db2.gz RXGJSIAPJAYUCY-UHFFFAOYSA-N -1 3 380.364 2.016 20 30 GEEDHM CSc1nc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c2ccccn12 ZINC000737188546 598927896 /nfs/dbraw/zinc/92/78/96/598927896.db2.gz BQCDMAREIKHAEA-UHFFFAOYSA-N -1 3 376.405 2.360 20 30 GEEDHM CSc1nc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c2ccccn12 ZINC000737188546 598927897 /nfs/dbraw/zinc/92/78/97/598927897.db2.gz BQCDMAREIKHAEA-UHFFFAOYSA-N -1 3 376.405 2.360 20 30 GEEDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nnn1-c1cccc(C)c1 ZINC000737381043 598928767 /nfs/dbraw/zinc/92/87/67/598928767.db2.gz GNFRBPWFBOPMPI-UHFFFAOYSA-N -1 3 385.391 2.188 20 30 GEEDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nnn1-c1cccc(C)c1 ZINC000737381043 598928769 /nfs/dbraw/zinc/92/87/69/598928769.db2.gz GNFRBPWFBOPMPI-UHFFFAOYSA-N -1 3 385.391 2.188 20 30 GEEDHM Cc1ccc(S(=O)(=O)CC(C)N=NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820293537 607254349 /nfs/dbraw/zinc/25/43/49/607254349.db2.gz MHUYDWRIUJJYKW-UHFFFAOYSA-N -1 3 384.465 2.115 20 30 GEEDHM Cc1ccc(S(=O)(=O)CC(C)N=NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820293537 607254350 /nfs/dbraw/zinc/25/43/50/607254350.db2.gz MHUYDWRIUJJYKW-UHFFFAOYSA-N -1 3 384.465 2.115 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCON=C(N)c1ccc(F)c(C)c1 ZINC000737032048 598979244 /nfs/dbraw/zinc/97/92/44/598979244.db2.gz HDOMCIOSJLFULD-UHFFFAOYSA-N -1 3 386.387 2.039 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000735418113 599059444 /nfs/dbraw/zinc/05/94/44/599059444.db2.gz ASRZXBZMHOJJNC-GVDBMIGSSA-N -1 3 382.468 2.378 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000735418113 599059447 /nfs/dbraw/zinc/05/94/47/599059447.db2.gz ASRZXBZMHOJJNC-GVDBMIGSSA-N -1 3 382.468 2.378 20 30 GEEDHM COc1ccc(C=C2COc3cc4c(cc3C2=O)OCO4)cc1-c1nnn[n-]1 ZINC000737084814 599155664 /nfs/dbraw/zinc/15/56/64/599155664.db2.gz WHXZIHMXUNKRFA-NYYWCZLTSA-N -1 3 378.344 2.263 20 30 GEEDHM COc1ccc(C=C2COc3cc4c(cc3C2=O)OCO4)cc1-c1nn[n-]n1 ZINC000737084814 599155666 /nfs/dbraw/zinc/15/56/66/599155666.db2.gz WHXZIHMXUNKRFA-NYYWCZLTSA-N -1 3 378.344 2.263 20 30 GEEDHM COc1ccc(C=CC(=O)c2cccc(NS(C)(=O)=O)c2)cc1-c1nnn[n-]1 ZINC000737082715 599156246 /nfs/dbraw/zinc/15/62/46/599156246.db2.gz YPRBPTRPDWZGFM-SOFGYWHQSA-N -1 3 399.432 2.143 20 30 GEEDHM COc1ccc(C=CC(=O)c2cccc(NS(C)(=O)=O)c2)cc1-c1nn[n-]n1 ZINC000737082715 599156249 /nfs/dbraw/zinc/15/62/49/599156249.db2.gz YPRBPTRPDWZGFM-SOFGYWHQSA-N -1 3 399.432 2.143 20 30 GEEDHM COc1cc(C#N)ccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737035635 599156578 /nfs/dbraw/zinc/15/65/78/599156578.db2.gz WHZGCGMLRCVINY-UHFFFAOYSA-N -1 3 375.348 2.376 20 30 GEEDHM COc1cc(C#N)ccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737035635 599156580 /nfs/dbraw/zinc/15/65/80/599156580.db2.gz WHZGCGMLRCVINY-UHFFFAOYSA-N -1 3 375.348 2.376 20 30 GEEDHM Cc1nc(C)c(C#N)c(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)n1 ZINC000737471120 599161738 /nfs/dbraw/zinc/16/17/38/599161738.db2.gz OSOGYYSUPQXWCL-UHFFFAOYSA-N -1 3 391.420 2.488 20 30 GEEDHM Cc1nc(C)c(C#N)c(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)n1 ZINC000737471120 599161740 /nfs/dbraw/zinc/16/17/40/599161740.db2.gz OSOGYYSUPQXWCL-UHFFFAOYSA-N -1 3 391.420 2.488 20 30 GEEDHM N#Cc1ccc(F)c(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822825300 599177378 /nfs/dbraw/zinc/17/73/78/599177378.db2.gz BAFRUIXQLDHVCK-GOSISDBHSA-N -1 3 391.410 2.163 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000737715915 599195164 /nfs/dbraw/zinc/19/51/64/599195164.db2.gz IDAFNLLPEXTIKY-SFHVURJKSA-N -1 3 384.403 2.218 20 30 GEEDHM CC1CCC(N2C[C@@H](C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)CC2=O)CC1 ZINC000736243672 599195716 /nfs/dbraw/zinc/19/57/16/599195716.db2.gz YEHWYMINNOQRPV-UGWHAMFMSA-N -1 3 393.451 2.104 20 30 GEEDHM CC1CCC(N2C[C@@H](C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)CC2=O)CC1 ZINC000736243672 599195718 /nfs/dbraw/zinc/19/57/18/599195718.db2.gz YEHWYMINNOQRPV-UGWHAMFMSA-N -1 3 393.451 2.104 20 30 GEEDHM N#Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1-c1nnn[n-]1 ZINC000737719932 599198967 /nfs/dbraw/zinc/19/89/67/599198967.db2.gz XCKSBBSLIHPESJ-UHFFFAOYSA-N -1 3 387.403 2.113 20 30 GEEDHM N#Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1-c1nn[n-]n1 ZINC000737719932 599198969 /nfs/dbraw/zinc/19/89/69/599198969.db2.gz XCKSBBSLIHPESJ-UHFFFAOYSA-N -1 3 387.403 2.113 20 30 GEEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735409917 599217691 /nfs/dbraw/zinc/21/76/91/599217691.db2.gz OPNYZOWRVQAGFU-GFCCVEGCSA-N -1 3 393.407 2.073 20 30 GEEDHM N#Cc1cc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c2ccccc2n1 ZINC000737703792 599265089 /nfs/dbraw/zinc/26/50/89/599265089.db2.gz FPPAUWLJQYTRAT-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c2ccccc2n1 ZINC000737703792 599265090 /nfs/dbraw/zinc/26/50/90/599265090.db2.gz FPPAUWLJQYTRAT-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccnc(N2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)c1 ZINC000737726988 599265101 /nfs/dbraw/zinc/26/51/01/599265101.db2.gz AHTUWELUCHTWET-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccnc(N2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)c1 ZINC000737726988 599265102 /nfs/dbraw/zinc/26/51/02/599265102.db2.gz AHTUWELUCHTWET-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncnc2c1cnn2CCC#N ZINC000821109327 607305187 /nfs/dbraw/zinc/30/51/87/607305187.db2.gz HTCFDYIAXLDLTO-UHFFFAOYSA-N -1 3 388.439 2.337 20 30 GEEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncnc2c1cnn2CCC#N ZINC000821109327 607305188 /nfs/dbraw/zinc/30/51/88/607305188.db2.gz HTCFDYIAXLDLTO-UHFFFAOYSA-N -1 3 388.439 2.337 20 30 GEEDHM N#Cc1ccc(N2CCN(c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)c(F)c1 ZINC000737719362 598245909 /nfs/dbraw/zinc/24/59/09/598245909.db2.gz SXNOOLLVOAUEGF-UHFFFAOYSA-N -1 3 385.353 2.482 20 30 GEEDHM N#Cc1ccc(N2CCN(c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)c(F)c1 ZINC000737719362 598245911 /nfs/dbraw/zinc/24/59/11/598245911.db2.gz SXNOOLLVOAUEGF-UHFFFAOYSA-N -1 3 385.353 2.482 20 30 GEEDHM N#Cc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)c(F)c1 ZINC000737719365 598247606 /nfs/dbraw/zinc/24/76/06/598247606.db2.gz SXNXXZBNPOEMFB-UHFFFAOYSA-N -1 3 394.370 2.112 20 30 GEEDHM N#Cc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)c(F)c1 ZINC000737719365 598247607 /nfs/dbraw/zinc/24/76/07/598247607.db2.gz SXNXXZBNPOEMFB-UHFFFAOYSA-N -1 3 394.370 2.112 20 30 GEEDHM N#Cc1ccccc1OCCN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737728111 598256771 /nfs/dbraw/zinc/25/67/71/598256771.db2.gz XRXVCBWOVUOGSP-UHFFFAOYSA-N -1 3 393.426 2.078 20 30 GEEDHM N#C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000737679770 598372972 /nfs/dbraw/zinc/37/29/72/598372972.db2.gz SPHOOKXKYUEHKY-QGZVFWFLSA-N -1 3 391.391 2.415 20 30 GEEDHM N#C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000737679770 598372973 /nfs/dbraw/zinc/37/29/73/598372973.db2.gz SPHOOKXKYUEHKY-QGZVFWFLSA-N -1 3 391.391 2.415 20 30 GEEDHM C#CCOc1ccccc1OS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735387970 598427841 /nfs/dbraw/zinc/42/78/41/598427841.db2.gz MUFCDJMAUMTVKR-UHFFFAOYSA-N -1 3 390.808 2.300 20 30 GEEDHM C#CCOc1ccccc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735387970 598427843 /nfs/dbraw/zinc/42/78/43/598427843.db2.gz MUFCDJMAUMTVKR-UHFFFAOYSA-N -1 3 390.808 2.300 20 30 GEEDHM COc1ccccc1N=C1SCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737153092 598437121 /nfs/dbraw/zinc/43/71/21/598437121.db2.gz PTGQQEXJIOMZGS-UHFFFAOYSA-N -1 3 381.421 2.147 20 30 GEEDHM COc1ccccc1N=C1SCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737153092 598437123 /nfs/dbraw/zinc/43/71/23/598437123.db2.gz PTGQQEXJIOMZGS-UHFFFAOYSA-N -1 3 381.421 2.147 20 30 GEEDHM C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc2C1=O ZINC000735426260 598590275 /nfs/dbraw/zinc/59/02/75/598590275.db2.gz NJTBLKCTBJQPJL-UHFFFAOYSA-N -1 3 392.350 2.040 20 30 GEEDHM C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc2C1=O ZINC000735426260 598590276 /nfs/dbraw/zinc/59/02/76/598590276.db2.gz NJTBLKCTBJQPJL-UHFFFAOYSA-N -1 3 392.350 2.040 20 30 GEEDHM N#C[C@@]1(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCSC1 ZINC000737677901 598687320 /nfs/dbraw/zinc/68/73/20/598687320.db2.gz FBPLZHVSGZEFOB-SFHVURJKSA-N -1 3 393.432 2.183 20 30 GEEDHM N#C[C@@]1(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCSC1 ZINC000737677901 598687322 /nfs/dbraw/zinc/68/73/22/598687322.db2.gz FBPLZHVSGZEFOB-SFHVURJKSA-N -1 3 393.432 2.183 20 30 GEEDHM COCCN(CCC#N)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736995572 598701830 /nfs/dbraw/zinc/70/18/30/598701830.db2.gz UDDPIDLBJAJGHG-UHFFFAOYSA-N -1 3 396.407 2.041 20 30 GEEDHM COCCN(CCC#N)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736995572 598701832 /nfs/dbraw/zinc/70/18/32/598701832.db2.gz UDDPIDLBJAJGHG-UHFFFAOYSA-N -1 3 396.407 2.041 20 30 GEEDHM C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374928 599430512 /nfs/dbraw/zinc/43/05/12/599430512.db2.gz TZXGHCPDGAPPEC-CYBMUJFWSA-N -1 3 377.408 2.329 20 30 GEEDHM C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374928 599430513 /nfs/dbraw/zinc/43/05/13/599430513.db2.gz TZXGHCPDGAPPEC-CYBMUJFWSA-N -1 3 377.408 2.329 20 30 GEEDHM COc1ccc(OC)c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000737109409 599461307 /nfs/dbraw/zinc/46/13/07/599461307.db2.gz PNYUPBQNUMKJHX-GQCTYLIASA-N -1 3 376.376 2.428 20 30 GEEDHM COc1ccc(OC)c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000737109409 599461309 /nfs/dbraw/zinc/46/13/09/599461309.db2.gz PNYUPBQNUMKJHX-GQCTYLIASA-N -1 3 376.376 2.428 20 30 GEEDHM C=C(Cl)CNC(=O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735402633 599508394 /nfs/dbraw/zinc/50/83/94/599508394.db2.gz ZZRQNYUWJZLGOG-UHFFFAOYSA-N -1 3 398.810 2.466 20 30 GEEDHM C=C(Cl)CNC(=O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402633 599508396 /nfs/dbraw/zinc/50/83/96/599508396.db2.gz ZZRQNYUWJZLGOG-UHFFFAOYSA-N -1 3 398.810 2.466 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000826251786 607384575 /nfs/dbraw/zinc/38/45/75/607384575.db2.gz AHIFAXUDLAPTDY-UHFFFAOYSA-N -1 3 396.794 2.496 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000826251786 607384576 /nfs/dbraw/zinc/38/45/76/607384576.db2.gz AHIFAXUDLAPTDY-UHFFFAOYSA-N -1 3 396.794 2.496 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820316981 599618826 /nfs/dbraw/zinc/61/88/26/599618826.db2.gz YICXZDFXXGMVPX-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820316981 599618828 /nfs/dbraw/zinc/61/88/28/599618828.db2.gz YICXZDFXXGMVPX-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM C#CCN(CC#CC)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000819697895 599640729 /nfs/dbraw/zinc/64/07/29/599640729.db2.gz NYZADSGOJDQVAQ-UHFFFAOYSA-N -1 3 382.493 2.094 20 30 GEEDHM C#CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000819709947 599664510 /nfs/dbraw/zinc/66/45/10/599664510.db2.gz UMOXMKGRUINQIF-ZDUSSCGKSA-N -1 3 391.387 2.063 20 30 GEEDHM C#CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000819709947 599664511 /nfs/dbraw/zinc/66/45/11/599664511.db2.gz UMOXMKGRUINQIF-ZDUSSCGKSA-N -1 3 391.387 2.063 20 30 GEEDHM Cc1cc(-c2nn[nH]n2)ccc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000826253664 607409683 /nfs/dbraw/zinc/40/96/83/607409683.db2.gz YGYAEONYMUMIKY-UHFFFAOYSA-N -1 3 392.419 2.440 20 30 GEEDHM COc1ccc(CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826199144 607563061 /nfs/dbraw/zinc/56/30/61/607563061.db2.gz REVXAXRWVLPREQ-GFCCVEGCSA-N -1 3 377.408 2.307 20 30 GEEDHM COc1ccc(CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826199144 607563063 /nfs/dbraw/zinc/56/30/63/607563063.db2.gz REVXAXRWVLPREQ-GFCCVEGCSA-N -1 3 377.408 2.307 20 30 GEEDHM COc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000826199348 607566006 /nfs/dbraw/zinc/56/60/06/607566006.db2.gz WQNWGCMWKKRUCI-GFCCVEGCSA-N -1 3 377.408 2.307 20 30 GEEDHM COc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000826199348 607566008 /nfs/dbraw/zinc/56/60/08/607566008.db2.gz WQNWGCMWKKRUCI-GFCCVEGCSA-N -1 3 377.408 2.307 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823856139 607619373 /nfs/dbraw/zinc/61/93/73/607619373.db2.gz KMTWEQDTKPGISR-UHFFFAOYSA-N -1 3 396.382 2.348 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823856139 607619375 /nfs/dbraw/zinc/61/93/75/607619375.db2.gz KMTWEQDTKPGISR-UHFFFAOYSA-N -1 3 396.382 2.348 20 30 GEEDHM COc1ccc(CNC(=O)Nc2ccc(F)cc2OCC#N)cc1-c1nnn[n-]1 ZINC000826200475 607620221 /nfs/dbraw/zinc/62/02/21/607620221.db2.gz RLUFIBWDVCCLOS-UHFFFAOYSA-N -1 3 397.370 2.238 20 30 GEEDHM COc1ccc(CNC(=O)Nc2ccc(F)cc2OCC#N)cc1-c1nn[n-]n1 ZINC000826200475 607620223 /nfs/dbraw/zinc/62/02/23/607620223.db2.gz RLUFIBWDVCCLOS-UHFFFAOYSA-N -1 3 397.370 2.238 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1scnc1CC ZINC000823909387 607629850 /nfs/dbraw/zinc/62/98/50/607629850.db2.gz BDIFKAKITUMUGX-UHFFFAOYSA-N -1 3 397.464 2.039 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1scnc1CC ZINC000823909387 607629851 /nfs/dbraw/zinc/62/98/51/607629851.db2.gz BDIFKAKITUMUGX-UHFFFAOYSA-N -1 3 397.464 2.039 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1CON=CC(=O)Nc1ccc(F)cc1F ZINC000826184919 607635420 /nfs/dbraw/zinc/63/54/20/607635420.db2.gz QHIWYNBAOFAZCF-UHFFFAOYSA-N -1 3 388.334 2.295 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1CON=CC(=O)Nc1ccc(F)cc1F ZINC000826184919 607635422 /nfs/dbraw/zinc/63/54/22/607635422.db2.gz QHIWYNBAOFAZCF-UHFFFAOYSA-N -1 3 388.334 2.295 20 30 GEEDHM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000825893698 603705592 /nfs/dbraw/zinc/70/55/92/603705592.db2.gz AYXFTHYTAFNZNM-KBXCAEBGSA-N -1 3 379.482 2.138 20 30 GEEDHM Cc1cccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)c1C#N ZINC000826304086 607672262 /nfs/dbraw/zinc/67/22/62/607672262.db2.gz VKCSBGQNJJSGFP-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)c1C#N ZINC000826304086 607672263 /nfs/dbraw/zinc/67/22/63/607672263.db2.gz VKCSBGQNJJSGFP-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM N#Cc1cc(F)ccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826383997 607672462 /nfs/dbraw/zinc/67/24/62/607672462.db2.gz BDQWFURGKHKCHW-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1cc(F)ccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826383997 607672464 /nfs/dbraw/zinc/67/24/64/607672464.db2.gz BDQWFURGKHKCHW-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM C#CCNC(=O)C1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000833365898 605202849 /nfs/dbraw/zinc/20/28/49/605202849.db2.gz WMZSRAYOPGGESM-HNNXBMFYSA-N -1 3 379.254 2.036 20 30 GEEDHM c1cc(CN=C2NN=C(c3ccc(-c4nnn[n-]4)cc3)CS2)cc2c1OCO2 ZINC000823766725 606018890 /nfs/dbraw/zinc/01/88/90/606018890.db2.gz INRMREBYKQEQML-UHFFFAOYSA-N -1 3 393.432 2.192 20 30 GEEDHM c1cc(CN=C2NN=C(c3ccc(-c4nn[n-]n4)cc3)CS2)cc2c1OCO2 ZINC000823766725 606018893 /nfs/dbraw/zinc/01/88/93/606018893.db2.gz INRMREBYKQEQML-UHFFFAOYSA-N -1 3 393.432 2.192 20 30 GEEDHM Brc1cn2c(C=NNc3cccc(-c4nnn[n-]4)c3)cnc2cn1 ZINC000819688146 606032182 /nfs/dbraw/zinc/03/21/82/606032182.db2.gz DQLHWGPTYAWPBV-UHFFFAOYSA-N -1 3 384.201 2.118 20 30 GEEDHM Brc1cn2c(C=NNc3cccc(-c4nn[n-]n4)c3)cnc2cn1 ZINC000819688146 606032187 /nfs/dbraw/zinc/03/21/87/606032187.db2.gz DQLHWGPTYAWPBV-UHFFFAOYSA-N -1 3 384.201 2.118 20 30 GEEDHM N#C[C@H](c1ccccc1)N1CCN(CCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822800910 606072364 /nfs/dbraw/zinc/07/23/64/606072364.db2.gz ARHMOPPEKIPDEO-HXUWFJFHSA-N -1 3 389.463 2.128 20 30 GEEDHM C#CCN(CC)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1cccc(F)c1 ZINC000819697831 606075462 /nfs/dbraw/zinc/07/54/62/606075462.db2.gz LYFGCDGKZDEGMQ-UHFFFAOYSA-N -1 3 395.442 2.307 20 30 GEEDHM C#CCN(CC)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1cccc(F)c1 ZINC000819697831 606075467 /nfs/dbraw/zinc/07/54/67/606075467.db2.gz LYFGCDGKZDEGMQ-UHFFFAOYSA-N -1 3 395.442 2.307 20 30 GEEDHM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)CCC#N)c1-c1nnn[n-]1 ZINC000822015643 606198305 /nfs/dbraw/zinc/19/83/05/606198305.db2.gz MISHQTGKKDRSJI-UHFFFAOYSA-N -1 3 392.467 2.117 20 30 GEEDHM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)CCC#N)c1-c1nn[n-]n1 ZINC000822015643 606198307 /nfs/dbraw/zinc/19/83/07/606198307.db2.gz MISHQTGKKDRSJI-UHFFFAOYSA-N -1 3 392.467 2.117 20 30 GEEDHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000821412313 606246521 /nfs/dbraw/zinc/24/65/21/606246521.db2.gz JRBMDPSZTLSRBG-CYBMUJFWSA-N -1 3 395.448 2.416 20 30 GEEDHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000821412313 606246523 /nfs/dbraw/zinc/24/65/23/606246523.db2.gz JRBMDPSZTLSRBG-CYBMUJFWSA-N -1 3 395.448 2.416 20 30 GEEDHM COc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)ccc1S(C)(=O)=O ZINC000821703195 606305997 /nfs/dbraw/zinc/30/59/97/606305997.db2.gz TWDAKDBWUPUKCA-PLNGDYQASA-N -1 3 390.446 2.236 20 30 GEEDHM COc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)ccc1S(C)(=O)=O ZINC000821703195 606305999 /nfs/dbraw/zinc/30/59/99/606305999.db2.gz TWDAKDBWUPUKCA-PLNGDYQASA-N -1 3 390.446 2.236 20 30 GEEDHM CN(Cc1cccc(C#N)c1)[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821613682 606315500 /nfs/dbraw/zinc/31/55/00/606315500.db2.gz YOYWJGPMSNWGES-OAHLLOKOSA-N -1 3 379.449 2.037 20 30 GEEDHM CN(Cc1cccc(C#N)c1)[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821613682 606315502 /nfs/dbraw/zinc/31/55/02/606315502.db2.gz YOYWJGPMSNWGES-OAHLLOKOSA-N -1 3 379.449 2.037 20 30 GEEDHM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000822801327 606320728 /nfs/dbraw/zinc/32/07/28/606320728.db2.gz GZYKHFWNJLHFRL-LBPRGKRZSA-N -1 3 377.286 2.088 20 30 GEEDHM N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000822801327 606320729 /nfs/dbraw/zinc/32/07/29/606320729.db2.gz GZYKHFWNJLHFRL-LBPRGKRZSA-N -1 3 377.286 2.088 20 30 GEEDHM O=S(=O)(OCC(F)(F)F)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823589088 606339821 /nfs/dbraw/zinc/33/98/21/606339821.db2.gz MMINDMSQQPHMCI-UHFFFAOYSA-N -1 3 376.238 2.153 20 30 GEEDHM O=S(=O)(OCC(F)(F)F)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823589088 606339823 /nfs/dbraw/zinc/33/98/23/606339823.db2.gz MMINDMSQQPHMCI-UHFFFAOYSA-N -1 3 376.238 2.153 20 30 GEEDHM N#Cc1ccc(NC(=O)c2ncccc2OCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000822830214 606515275 /nfs/dbraw/zinc/51/52/75/606515275.db2.gz XKLGUNYLQMULHB-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM N#Cc1ccc(NC(=O)c2ncccc2OCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000822830214 606515276 /nfs/dbraw/zinc/51/52/76/606515276.db2.gz XKLGUNYLQMULHB-UHFFFAOYSA-N -1 3 389.297 2.327 20 30 GEEDHM C=CCc1cc(CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000819759547 606540830 /nfs/dbraw/zinc/54/08/30/606540830.db2.gz ZPANDJMJYNMTFL-UHFFFAOYSA-N -1 3 393.447 2.471 20 30 GEEDHM C=CCc1cc(CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000819759547 606540831 /nfs/dbraw/zinc/54/08/31/606540831.db2.gz ZPANDJMJYNMTFL-UHFFFAOYSA-N -1 3 393.447 2.471 20 30 GEEDHM N#Cc1cccc(CC(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000822837677 606594968 /nfs/dbraw/zinc/59/49/68/606594968.db2.gz RKOIWMAFRUQLDV-UHFFFAOYSA-N -1 3 387.447 2.066 20 30 GEEDHM N#Cc1cccc(CC(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000822837677 606594970 /nfs/dbraw/zinc/59/49/70/606594970.db2.gz RKOIWMAFRUQLDV-UHFFFAOYSA-N -1 3 387.447 2.066 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@H](C)n1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000819739794 606615684 /nfs/dbraw/zinc/61/56/84/606615684.db2.gz HWFWXINLWINKJV-ZDUSSCGKSA-N -1 3 378.440 2.195 20 30 GEEDHM C=CCN(CC=C)C(=O)[C@H](C)n1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000819739794 606615685 /nfs/dbraw/zinc/61/56/85/606615685.db2.gz HWFWXINLWINKJV-ZDUSSCGKSA-N -1 3 378.440 2.195 20 30 GEEDHM Brc1cn2ccnc2c(N=NCc2cc(-c3nnn[n-]3)cs2)n1 ZINC000819689034 606622801 /nfs/dbraw/zinc/62/28/01/606622801.db2.gz STWDHSIAKPXWNL-UHFFFAOYSA-N -1 3 390.230 2.179 20 30 GEEDHM Brc1cn2ccnc2c(N=NCc2cc(-c3nn[n-]n3)cs2)n1 ZINC000819689034 606622802 /nfs/dbraw/zinc/62/28/02/606622802.db2.gz STWDHSIAKPXWNL-UHFFFAOYSA-N -1 3 390.230 2.179 20 30 GEEDHM CCN(C[C@@H](C)C#N)C(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821170869 606707526 /nfs/dbraw/zinc/70/75/26/606707526.db2.gz XOULLBHHCWVONI-JTQLQIEISA-N -1 3 381.362 2.306 20 30 GEEDHM CCN(C[C@@H](C)C#N)C(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821170869 606707528 /nfs/dbraw/zinc/70/75/28/606707528.db2.gz XOULLBHHCWVONI-JTQLQIEISA-N -1 3 381.362 2.306 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC000821648175 606755751 /nfs/dbraw/zinc/75/57/51/606755751.db2.gz CVVSUARMNKXQJQ-HNNXBMFYSA-N -1 3 399.313 2.088 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC000821648175 606755753 /nfs/dbraw/zinc/75/57/53/606755753.db2.gz CVVSUARMNKXQJQ-HNNXBMFYSA-N -1 3 399.313 2.088 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819722432 606756161 /nfs/dbraw/zinc/75/61/61/606756161.db2.gz JKNQCAIVSIUUHB-JTQLQIEISA-N -1 3 379.367 2.115 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819722432 606756162 /nfs/dbraw/zinc/75/61/62/606756162.db2.gz JKNQCAIVSIUUHB-JTQLQIEISA-N -1 3 379.367 2.115 20 30 GEEDHM C=C(C)COCCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819722747 606799009 /nfs/dbraw/zinc/79/90/09/606799009.db2.gz QAYLLAOUEHYBBT-UHFFFAOYSA-N -1 3 386.456 2.012 20 30 GEEDHM CN(CCCc1[nH]nc(N)c1C#N)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821601752 606910235 /nfs/dbraw/zinc/91/02/35/606910235.db2.gz YAWQPERRCOQFKZ-UHFFFAOYSA-N -1 3 391.361 2.131 20 30 GEEDHM CN(CCCc1[nH]nc(N)c1C#N)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821601752 606910236 /nfs/dbraw/zinc/91/02/36/606910236.db2.gz YAWQPERRCOQFKZ-UHFFFAOYSA-N -1 3 391.361 2.131 20 30 GEEDHM C=C(C)CN(CC)C(=O)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000819722392 607030917 /nfs/dbraw/zinc/03/09/17/607030917.db2.gz IIMZGHMESJHMLX-UHFFFAOYSA-N -1 3 380.246 2.433 20 30 GEEDHM C=C(C)CN(CC)C(=O)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000819722392 607030919 /nfs/dbraw/zinc/03/09/19/607030919.db2.gz IIMZGHMESJHMLX-UHFFFAOYSA-N -1 3 380.246 2.433 20 30 GEEDHM CC(C)[C@@](C)(C#N)NC(=O)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000820015928 607042036 /nfs/dbraw/zinc/04/20/36/607042036.db2.gz IDIBQIARVUDZTG-OAHLLOKOSA-N -1 3 393.245 2.062 20 30 GEEDHM CC(C)[C@@](C)(C#N)NC(=O)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000820015928 607042038 /nfs/dbraw/zinc/04/20/38/607042038.db2.gz IDIBQIARVUDZTG-OAHLLOKOSA-N -1 3 393.245 2.062 20 30 GEEDHM Cc1ccc(C)c(S(=O)(=O)NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000822232069 607145602 /nfs/dbraw/zinc/14/56/02/607145602.db2.gz SEGVINGOIMXNKX-UHFFFAOYSA-N -1 3 395.448 2.277 20 30 GEEDHM Cc1ccc(C)c(S(=O)(=O)NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000822232069 607145603 /nfs/dbraw/zinc/14/56/03/607145603.db2.gz SEGVINGOIMXNKX-UHFFFAOYSA-N -1 3 395.448 2.277 20 30 GEEDHM Cc1c(F)cccc1NC(=O)CCSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000822035814 607159536 /nfs/dbraw/zinc/15/95/36/607159536.db2.gz ZHXDCAKSFNCRSX-UHFFFAOYSA-N -1 3 398.427 2.284 20 30 GEEDHM Cc1c(F)cccc1NC(=O)CCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000822035814 607159538 /nfs/dbraw/zinc/15/95/38/607159538.db2.gz ZHXDCAKSFNCRSX-UHFFFAOYSA-N -1 3 398.427 2.284 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820313277 607182979 /nfs/dbraw/zinc/18/29/79/607182979.db2.gz CDCGCILBSYACKX-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820313277 607182980 /nfs/dbraw/zinc/18/29/80/607182980.db2.gz CDCGCILBSYACKX-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000819709535 607203168 /nfs/dbraw/zinc/20/31/68/607203168.db2.gz IGTZJBMRXAOIKO-UHFFFAOYSA-N -1 3 395.810 2.262 20 30 GEEDHM C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000819709535 607203169 /nfs/dbraw/zinc/20/31/69/607203169.db2.gz IGTZJBMRXAOIKO-UHFFFAOYSA-N -1 3 395.810 2.262 20 30 GEEDHM CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)C1CC1 ZINC000824100864 607795338 /nfs/dbraw/zinc/79/53/38/607795338.db2.gz ZHSDUBPENXLNAU-UHFFFAOYSA-N -1 3 383.412 2.076 20 30 GEEDHM CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)C1CC1 ZINC000824100864 607795339 /nfs/dbraw/zinc/79/53/39/607795339.db2.gz ZHSDUBPENXLNAU-UHFFFAOYSA-N -1 3 383.412 2.076 20 30 GEEDHM N#Cc1ccc(OC[C@@H](O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000826385987 607868621 /nfs/dbraw/zinc/86/86/21/607868621.db2.gz KPKAULLAPGOHQQ-KRWDZBQOSA-N -1 3 387.403 2.042 20 30 GEEDHM N#Cc1ccc(OC[C@@H](O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000826385987 607868622 /nfs/dbraw/zinc/86/86/22/607868622.db2.gz KPKAULLAPGOHQQ-KRWDZBQOSA-N -1 3 387.403 2.042 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825838730 607884245 /nfs/dbraw/zinc/88/42/45/607884245.db2.gz BOZKACUNGUDXAK-FMIVXFBMSA-N -1 3 377.404 2.230 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825838730 607884246 /nfs/dbraw/zinc/88/42/46/607884246.db2.gz BOZKACUNGUDXAK-FMIVXFBMSA-N -1 3 377.404 2.230 20 30 GEEDHM CC(C)c1nn(C)c(N2CCOCC2)c1C=[NH+][N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000824364491 607886099 /nfs/dbraw/zinc/88/60/99/607886099.db2.gz IWFOGUAYWWYANE-UHFFFAOYSA-N -1 3 395.471 2.006 20 30 GEEDHM Fc1ccc(OCC2N=NC(=S)N2N=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826376241 607886275 /nfs/dbraw/zinc/88/62/75/607886275.db2.gz USHANOGPMMNOGY-UHFFFAOYSA-N -1 3 396.411 2.347 20 30 GEEDHM Fc1ccc(OCC2N=NC(=S)N2N=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826376241 607886276 /nfs/dbraw/zinc/88/62/76/607886276.db2.gz USHANOGPMMNOGY-UHFFFAOYSA-N -1 3 396.411 2.347 20 30 GEEDHM C#CCOc1ccc(C(=O)OCc2cccc(C(=O)OC)c2-c2nnn[n-]2)cc1 ZINC000823856058 607913986 /nfs/dbraw/zinc/91/39/86/607913986.db2.gz GTZIYIXYCHWZFL-UHFFFAOYSA-N -1 3 392.371 2.022 20 30 GEEDHM C#CCOc1ccc(C(=O)OCc2cccc(C(=O)OC)c2-c2nn[n-]n2)cc1 ZINC000823856058 607913987 /nfs/dbraw/zinc/91/39/87/607913987.db2.gz GTZIYIXYCHWZFL-UHFFFAOYSA-N -1 3 392.371 2.022 20 30 GEEDHM C#CC[C@H](NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823837292 607939350 /nfs/dbraw/zinc/93/93/50/607939350.db2.gz AIQZIEVMOSUYMI-KRWDZBQOSA-N -1 3 376.420 2.439 20 30 GEEDHM C#CC[C@H](NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823837292 607939351 /nfs/dbraw/zinc/93/93/51/607939351.db2.gz AIQZIEVMOSUYMI-KRWDZBQOSA-N -1 3 376.420 2.439 20 30 GEEDHM N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN1c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826385895 607951138 /nfs/dbraw/zinc/95/11/38/607951138.db2.gz GPMTWXNQMZLJKQ-GOSISDBHSA-N -1 3 385.431 2.296 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)CCC(=O)OCC ZINC000823909724 608033441 /nfs/dbraw/zinc/03/34/41/608033441.db2.gz ONVDIZIMDRVLOF-AWEZNQCLSA-N -1 3 386.456 2.296 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)CCC(=O)OCC ZINC000823909724 608033442 /nfs/dbraw/zinc/03/34/42/608033442.db2.gz ONVDIZIMDRVLOF-AWEZNQCLSA-N -1 3 386.456 2.296 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000826386699 608049416 /nfs/dbraw/zinc/04/94/16/608049416.db2.gz PAXVXCBPOHXKOF-QGZVFWFLSA-N -1 3 375.392 2.344 20 30 GEEDHM N#Cc1cccc([C@H]2CN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000826386699 608049417 /nfs/dbraw/zinc/04/94/17/608049417.db2.gz PAXVXCBPOHXKOF-QGZVFWFLSA-N -1 3 375.392 2.344 20 30 GEEDHM CCc1nnc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(C#N)c1CC ZINC000825767856 608051851 /nfs/dbraw/zinc/05/18/51/608051851.db2.gz RMJFLEIWQHQKGM-SFHVURJKSA-N -1 3 390.451 2.231 20 30 GEEDHM CCc1nnc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(C#N)c1CC ZINC000825767856 608051852 /nfs/dbraw/zinc/05/18/52/608051852.db2.gz RMJFLEIWQHQKGM-SFHVURJKSA-N -1 3 390.451 2.231 20 30 GEEDHM N#Cc1cc(F)c(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(F)c1 ZINC000826384062 608083398 /nfs/dbraw/zinc/08/33/98/608083398.db2.gz FIISTYOOHKJFOX-MRXNPFEDSA-N -1 3 396.357 2.230 20 30 GEEDHM N#Cc1cc(F)c(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(F)c1 ZINC000826384062 608083399 /nfs/dbraw/zinc/08/33/99/608083399.db2.gz FIISTYOOHKJFOX-MRXNPFEDSA-N -1 3 396.357 2.230 20 30 GEEDHM N#Cc1ccccc1C=CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826387059 608089657 /nfs/dbraw/zinc/08/96/57/608089657.db2.gz DXGPVCJAKPQMEG-QWUACUGRSA-N -1 3 386.415 2.352 20 30 GEEDHM N#Cc1ccccc1C=CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826387059 608089658 /nfs/dbraw/zinc/08/96/58/608089658.db2.gz DXGPVCJAKPQMEG-QWUACUGRSA-N -1 3 386.415 2.352 20 30 GEEDHM C[C@@]1(C#N)CCCN(CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000824776590 608125682 /nfs/dbraw/zinc/12/56/82/608125682.db2.gz CPKWZWKVSHHHMK-SFHVURJKSA-N -1 3 385.497 2.371 20 30 GEEDHM C[C@@]1(C#N)CCCN(CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000824776590 608125683 /nfs/dbraw/zinc/12/56/83/608125683.db2.gz CPKWZWKVSHHHMK-SFHVURJKSA-N -1 3 385.497 2.371 20 30 GEEDHM C[C@H]1CC(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)=NO1 ZINC000824894578 608207965 /nfs/dbraw/zinc/20/79/65/608207965.db2.gz YWYPZDXSRUANLW-LBPRGKRZSA-N -1 3 378.392 2.298 20 30 GEEDHM C[C@H]1CC(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)=NO1 ZINC000824894578 608207966 /nfs/dbraw/zinc/20/79/66/608207966.db2.gz YWYPZDXSRUANLW-LBPRGKRZSA-N -1 3 378.392 2.298 20 30 GEEDHM CCN(C(=O)CNc1ccc(-c2nnn[n-]2)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825371725 608220320 /nfs/dbraw/zinc/22/03/20/608220320.db2.gz IWRGMAAKUQDNAD-ZDUSSCGKSA-N -1 3 376.424 2.155 20 30 GEEDHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825371725 608220321 /nfs/dbraw/zinc/22/03/21/608220321.db2.gz IWRGMAAKUQDNAD-ZDUSSCGKSA-N -1 3 376.424 2.155 20 30 GEEDHM C#CCCCCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000823841363 608323016 /nfs/dbraw/zinc/32/30/16/608323016.db2.gz LOFLAGFOTIFLHV-LLVKDONJSA-N -1 3 387.465 2.481 20 30 GEEDHM C#CCCCCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000823841363 608323017 /nfs/dbraw/zinc/32/30/17/608323017.db2.gz LOFLAGFOTIFLHV-LLVKDONJSA-N -1 3 387.465 2.481 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1CON=C(N)c1ccc(Br)o1 ZINC000826172944 608325511 /nfs/dbraw/zinc/32/55/11/608325511.db2.gz FMCUMJVETVDQCH-UHFFFAOYSA-N -1 3 393.201 2.068 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1CON=C(N)c1ccc(Br)o1 ZINC000826172944 608325513 /nfs/dbraw/zinc/32/55/13/608325513.db2.gz FMCUMJVETVDQCH-UHFFFAOYSA-N -1 3 393.201 2.068 20 30 GEEDHM C=CCCC[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823894918 608332710 /nfs/dbraw/zinc/33/27/10/608332710.db2.gz ZPEHWNOFXYWVNO-CYBMUJFWSA-N -1 3 378.454 2.070 20 30 GEEDHM C=CCCC[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823894918 608332711 /nfs/dbraw/zinc/33/27/11/608332711.db2.gz ZPEHWNOFXYWVNO-CYBMUJFWSA-N -1 3 378.454 2.070 20 30 GEEDHM COc1cc(C#N)ccc1COC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826177127 608348897 /nfs/dbraw/zinc/34/88/97/608348897.db2.gz SIUQLXDGKMIHEH-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1cc(C#N)ccc1COC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826177127 608348899 /nfs/dbraw/zinc/34/88/99/608348899.db2.gz SIUQLXDGKMIHEH-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM Cc1cc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)nn1CCC#N ZINC000826269212 608475776 /nfs/dbraw/zinc/47/57/76/608475776.db2.gz DZWPKNNCRGVKPC-UHFFFAOYSA-N -1 3 380.412 2.081 20 30 GEEDHM N#C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nccn1Cc1ccccc1 ZINC000826379073 608495035 /nfs/dbraw/zinc/49/50/35/608495035.db2.gz IMXKPJPWEVFELL-KRWDZBQOSA-N -1 3 384.403 2.357 20 30 GEEDHM N#C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nccn1Cc1ccccc1 ZINC000826379073 608495038 /nfs/dbraw/zinc/49/50/38/608495038.db2.gz IMXKPJPWEVFELL-KRWDZBQOSA-N -1 3 384.403 2.357 20 30 GEEDHM Fc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1-n1cncn1 ZINC000826371967 608537900 /nfs/dbraw/zinc/53/79/00/608537900.db2.gz AYYHSWRWVLCSGC-UHFFFAOYSA-N -1 3 384.766 2.081 20 30 GEEDHM Fc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1-n1cncn1 ZINC000826371967 608537901 /nfs/dbraw/zinc/53/79/01/608537901.db2.gz AYYHSWRWVLCSGC-UHFFFAOYSA-N -1 3 384.766 2.081 20 30 GEEDHM CCN1c2ccc(C)cc2C(=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)C1=O ZINC000825444978 608538443 /nfs/dbraw/zinc/53/84/43/608538443.db2.gz UFVZXNKUADVXHD-UHFFFAOYSA-N -1 3 382.815 2.406 20 30 GEEDHM CCN1c2ccc(C)cc2C(=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)C1=O ZINC000825444978 608538444 /nfs/dbraw/zinc/53/84/44/608538444.db2.gz UFVZXNKUADVXHD-UHFFFAOYSA-N -1 3 382.815 2.406 20 30 GEEDHM N#C[C@@H]1CSCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826380665 608548025 /nfs/dbraw/zinc/54/80/25/608548025.db2.gz JCAXEWVIBLKGFJ-CQSZACIVSA-N -1 3 393.432 2.135 20 30 GEEDHM N#C[C@@H]1CSCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826380665 608548026 /nfs/dbraw/zinc/54/80/26/608548026.db2.gz JCAXEWVIBLKGFJ-CQSZACIVSA-N -1 3 393.432 2.135 20 30 GEEDHM C=CC[C@H](CO)CNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823888181 608561577 /nfs/dbraw/zinc/56/15/77/608561577.db2.gz GUSWTDWWCYXNSZ-HNNXBMFYSA-N -1 3 393.447 2.360 20 30 GEEDHM C=CC[C@H](CO)CNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823888181 608561579 /nfs/dbraw/zinc/56/15/79/608561579.db2.gz GUSWTDWWCYXNSZ-HNNXBMFYSA-N -1 3 393.447 2.360 20 30 GEEDHM N#Cc1ccccc1OCC(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826387436 608572578 /nfs/dbraw/zinc/57/25/78/608572578.db2.gz VEWZZDBOTXFONI-UHFFFAOYSA-N -1 3 375.392 2.030 20 30 GEEDHM N#Cc1ccccc1OCC(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826387436 608572580 /nfs/dbraw/zinc/57/25/80/608572580.db2.gz VEWZZDBOTXFONI-UHFFFAOYSA-N -1 3 375.392 2.030 20 30 GEEDHM CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826223876 608879510 /nfs/dbraw/zinc/87/95/10/608879510.db2.gz DJBOJDIUTXYNON-VURMDHGXSA-N -1 3 387.396 2.273 20 30 GEEDHM CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826223876 608879511 /nfs/dbraw/zinc/87/95/11/608879511.db2.gz DJBOJDIUTXYNON-VURMDHGXSA-N -1 3 387.396 2.273 20 30 GEEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000826380253 609141984 /nfs/dbraw/zinc/14/19/84/609141984.db2.gz SKXMUODXNKLKET-LJQANCHMSA-N -1 3 377.427 2.388 20 30 GEEDHM CCNc1ccc(C#N)cc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000825480869 609178934 /nfs/dbraw/zinc/17/89/34/609178934.db2.gz OTBZYIPRESQNBN-CQSZACIVSA-N -1 3 394.464 2.449 20 30 GEEDHM CCNc1ccc(C#N)cc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000825480869 609178936 /nfs/dbraw/zinc/17/89/36/609178936.db2.gz OTBZYIPRESQNBN-CQSZACIVSA-N -1 3 394.464 2.449 20 30 GEEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000825314146 609194867 /nfs/dbraw/zinc/19/48/67/609194867.db2.gz XXHZGAIXAGTRKX-GOSISDBHSA-N -1 3 376.420 2.211 20 30 GEEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000825314146 609194869 /nfs/dbraw/zinc/19/48/69/609194869.db2.gz XXHZGAIXAGTRKX-GOSISDBHSA-N -1 3 376.420 2.211 20 30 GEEDHM CCCNc1ccc(C#N)cc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825332200 609236770 /nfs/dbraw/zinc/23/67/70/609236770.db2.gz FPTRELXFGBWOBL-KRWDZBQOSA-N -1 3 377.408 2.232 20 30 GEEDHM CCCNc1ccc(C#N)cc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825332200 609236771 /nfs/dbraw/zinc/23/67/71/609236771.db2.gz FPTRELXFGBWOBL-KRWDZBQOSA-N -1 3 377.408 2.232 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826380132 609242075 /nfs/dbraw/zinc/24/20/75/609242075.db2.gz OLIGOOKZMCNTAR-QYZOEREBSA-N -1 3 388.431 2.198 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826380132 609242076 /nfs/dbraw/zinc/24/20/76/609242076.db2.gz OLIGOOKZMCNTAR-QYZOEREBSA-N -1 3 388.431 2.198 20 30 GEEDHM C=CCNC(=O)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823919339 609265417 /nfs/dbraw/zinc/26/54/17/609265417.db2.gz COLXHLBECIFEIV-UHFFFAOYSA-N -1 3 394.460 2.050 20 30 GEEDHM C=CCNC(=O)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823919339 609265418 /nfs/dbraw/zinc/26/54/18/609265418.db2.gz COLXHLBECIFEIV-UHFFFAOYSA-N -1 3 394.460 2.050 20 30 GEEDHM N#Cc1ccc(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000826385110 609289605 /nfs/dbraw/zinc/28/96/05/609289605.db2.gz XOZQLUZVHPNILD-UHFFFAOYSA-N -1 3 388.366 2.244 20 30 GEEDHM N#Cc1cccc(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826386617 609293180 /nfs/dbraw/zinc/29/31/80/609293180.db2.gz MDFMMUZWEIRUKX-UHFFFAOYSA-N -1 3 388.366 2.244 20 30 GEEDHM Cc1nc(Cl)cc(N=NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826326251 609306281 /nfs/dbraw/zinc/30/62/81/609306281.db2.gz HOFNDNTVSGZWSS-UHFFFAOYSA-N -1 3 394.830 2.465 20 30 GEEDHM Cn1cc(C=C2CCc3c(cnn3C)C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359228 609309657 /nfs/dbraw/zinc/30/96/57/609309657.db2.gz AJAHBGMWWGWQRS-NTEUORMPSA-N -1 3 386.419 2.213 20 30 GEEDHM Cn1cc(C=C2CCc3c(cnn3C)C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359228 609309658 /nfs/dbraw/zinc/30/96/58/609309658.db2.gz AJAHBGMWWGWQRS-NTEUORMPSA-N -1 3 386.419 2.213 20 30 GEEDHM C=C(C)CN(C)C(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000823873248 609349124 /nfs/dbraw/zinc/34/91/24/609349124.db2.gz KJDRLNZDRVKYAS-UHFFFAOYSA-N -1 3 393.407 2.027 20 30 GEEDHM C#CCN1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000823850481 609381943 /nfs/dbraw/zinc/38/19/43/609381943.db2.gz OYCIBEDUNYCPJZ-UHFFFAOYSA-N -1 3 388.431 2.050 20 30 GEEDHM C#CCN1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000823850481 609381946 /nfs/dbraw/zinc/38/19/46/609381946.db2.gz OYCIBEDUNYCPJZ-UHFFFAOYSA-N -1 3 388.431 2.050 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000826186337 609408975 /nfs/dbraw/zinc/40/89/75/609408975.db2.gz OFAKHEXLQWUOOU-MRXNPFEDSA-N -1 3 389.419 2.354 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000826186337 609408976 /nfs/dbraw/zinc/40/89/76/609408976.db2.gz OFAKHEXLQWUOOU-MRXNPFEDSA-N -1 3 389.419 2.354 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000826174432 609427821 /nfs/dbraw/zinc/42/78/21/609427821.db2.gz WOHDTIIEHRHZFC-QGZVFWFLSA-N -1 3 390.403 2.321 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000826174432 609427822 /nfs/dbraw/zinc/42/78/22/609427822.db2.gz WOHDTIIEHRHZFC-QGZVFWFLSA-N -1 3 390.403 2.321 20 30 GEEDHM N#Cc1cc(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)c[nH]1 ZINC000826383754 609442523 /nfs/dbraw/zinc/44/25/23/609442523.db2.gz OPYRGKHRRWGGNO-UHFFFAOYSA-N -1 3 376.405 2.366 20 30 GEEDHM N#Cc1cc(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)c[nH]1 ZINC000826383754 609442524 /nfs/dbraw/zinc/44/25/24/609442524.db2.gz OPYRGKHRRWGGNO-UHFFFAOYSA-N -1 3 376.405 2.366 20 30 GEEDHM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000823909652 609450183 /nfs/dbraw/zinc/45/01/83/609450183.db2.gz MIKOQVPISUXTND-UHFFFAOYSA-N -1 3 377.401 2.018 20 30 GEEDHM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000823909652 609450186 /nfs/dbraw/zinc/45/01/86/609450186.db2.gz MIKOQVPISUXTND-UHFFFAOYSA-N -1 3 377.401 2.018 20 30 GEEDHM Cc1nn(-c2ccncc2)cc1CN=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000826332678 609468194 /nfs/dbraw/zinc/46/81/94/609468194.db2.gz CGKCJMPWCDCDQD-UHFFFAOYSA-N -1 3 378.400 2.313 20 30 GEEDHM Cc1nn(-c2ccncc2)cc1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826332678 609468196 /nfs/dbraw/zinc/46/81/96/609468196.db2.gz CGKCJMPWCDCDQD-UHFFFAOYSA-N -1 3 378.400 2.313 20 30 GEEDHM COCCOc1ccc(C#N)cc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826162691 609484495 /nfs/dbraw/zinc/48/44/95/609484495.db2.gz NZHPYZOJDUEXTH-UHFFFAOYSA-N -1 3 380.408 2.254 20 30 GEEDHM COc1ccc(O)c(C=N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826210178 609504879 /nfs/dbraw/zinc/50/48/79/609504879.db2.gz IDBLNSQMFYOFOZ-KKJJZKEWSA-N -1 3 392.419 2.195 20 30 GEEDHM COc1ccc(O)c(C=N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826210178 609504880 /nfs/dbraw/zinc/50/48/80/609504880.db2.gz IDBLNSQMFYOFOZ-KKJJZKEWSA-N -1 3 392.419 2.195 20 30 GEEDHM COc1cccc(C=N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1O ZINC000826215490 609505219 /nfs/dbraw/zinc/50/52/19/609505219.db2.gz PYVUQOXSMCFPGX-YQODDJSKSA-N -1 3 392.419 2.195 20 30 GEEDHM COc1cccc(C=N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1O ZINC000826215490 609505220 /nfs/dbraw/zinc/50/52/20/609505220.db2.gz PYVUQOXSMCFPGX-YQODDJSKSA-N -1 3 392.419 2.195 20 30 GEEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000825972205 609522276 /nfs/dbraw/zinc/52/22/76/609522276.db2.gz WSKYLTJQTVLMRJ-LJQANCHMSA-N -1 3 384.440 2.087 20 30 GEEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000825972205 609522278 /nfs/dbraw/zinc/52/22/78/609522278.db2.gz WSKYLTJQTVLMRJ-LJQANCHMSA-N -1 3 384.440 2.087 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2=O)cc1 ZINC000826385732 609575660 /nfs/dbraw/zinc/57/56/60/609575660.db2.gz YFNXPVLEVGBJGL-OAHLLOKOSA-N -1 3 394.826 2.394 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2=O)cc1 ZINC000826385732 609575664 /nfs/dbraw/zinc/57/56/64/609575664.db2.gz YFNXPVLEVGBJGL-OAHLLOKOSA-N -1 3 394.826 2.394 20 30 GEEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000824100515 609625109 /nfs/dbraw/zinc/62/51/09/609625109.db2.gz SNKFIWMJDJSGMM-GOSISDBHSA-N -1 3 389.387 2.311 20 30 GEEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000824100515 609625111 /nfs/dbraw/zinc/62/51/11/609625111.db2.gz SNKFIWMJDJSGMM-GOSISDBHSA-N -1 3 389.387 2.311 20 30 GEEDHM C=CCSCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000512448127 650549216 /nfs/dbraw/zinc/54/92/16/650549216.db2.gz QDEZYPQOOCTGSM-UHFFFAOYSA-N -1 3 392.568 2.426 20 30 GEEDHM CC(C)[C@H](C#N)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000264780610 645715545 /nfs/dbraw/zinc/71/55/45/645715545.db2.gz PQFVNGTUZPRDNV-LBPRGKRZSA-N -1 3 378.281 2.326 20 30 GEEDHM C=CC1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000442602494 648844778 /nfs/dbraw/zinc/84/47/78/648844778.db2.gz VPWVFYLTKHHVSL-UHFFFAOYSA-N 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3 385.453 2.464 20 30 GEEDHM O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823396410 607353247 /nfs/dbraw/zinc/35/32/47/607353247.db2.gz IQMIZPGZYABCIQ-UHFFFAOYSA-N -1 3 389.293 2.369 20 30 GEEDHM O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823396410 607353248 /nfs/dbraw/zinc/35/32/48/607353248.db2.gz IQMIZPGZYABCIQ-UHFFFAOYSA-N -1 3 389.293 2.369 20 30 GEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000737242531 598372726 /nfs/dbraw/zinc/37/27/26/598372726.db2.gz WSHDOZWAUHPSCJ-AWEZNQCLSA-N -1 3 382.449 2.282 20 30 GEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000737242531 598372727 /nfs/dbraw/zinc/37/27/27/598372727.db2.gz WSHDOZWAUHPSCJ-AWEZNQCLSA-N -1 3 382.449 2.282 20 30 GEEDHM N#C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000737677516 598373175 /nfs/dbraw/zinc/37/31/75/598373175.db2.gz CSSLLEWMSZULKF-OAHLLOKOSA-N -1 3 391.391 2.415 20 30 GEEDHM N#C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000737677516 598373176 /nfs/dbraw/zinc/37/31/76/598373176.db2.gz CSSLLEWMSZULKF-OAHLLOKOSA-N -1 3 391.391 2.415 20 30 GEEDHM N#C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCO1 ZINC000737677513 598373185 /nfs/dbraw/zinc/37/31/85/598373185.db2.gz CSSLLEWMSZULKF-HNNXBMFYSA-N -1 3 391.391 2.415 20 30 GEEDHM N#C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCO1 ZINC000737677513 598373187 /nfs/dbraw/zinc/37/31/87/598373187.db2.gz CSSLLEWMSZULKF-HNNXBMFYSA-N -1 3 391.391 2.415 20 30 GEEDHM COc1cccc(C=NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1O ZINC000737128753 598439746 /nfs/dbraw/zinc/43/97/46/598439746.db2.gz HPLPAMLSOYMIFB-JAIQZWGSSA-N -1 3 379.424 2.064 20 30 GEEDHM COc1cccc(C=NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1O ZINC000737128753 598439747 /nfs/dbraw/zinc/43/97/47/598439747.db2.gz HPLPAMLSOYMIFB-JAIQZWGSSA-N -1 3 379.424 2.064 20 30 GEEDHM N#Cc1ccc(N2CCC(Nc3c(F)cc(-c4nnn[n-]4)cc3F)CC2)nc1 ZINC000737717762 598459200 /nfs/dbraw/zinc/45/92/00/598459200.db2.gz IVTWPDNOTSLMAA-UHFFFAOYSA-N -1 3 382.378 2.492 20 30 GEEDHM N#Cc1ccc(N2CCC(Nc3c(F)cc(-c4nn[n-]n4)cc3F)CC2)nc1 ZINC000737717762 598459202 /nfs/dbraw/zinc/45/92/02/598459202.db2.gz IVTWPDNOTSLMAA-UHFFFAOYSA-N -1 3 382.378 2.492 20 30 GEEDHM C[C@H](ON=C(N)c1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736165205 598471463 /nfs/dbraw/zinc/47/14/63/598471463.db2.gz SXDSYFFDTKJPCB-JTQLQIEISA-N -1 3 385.815 2.184 20 30 GEEDHM C[C@H](ON=C(N)c1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736165205 598471464 /nfs/dbraw/zinc/47/14/64/598471464.db2.gz SXDSYFFDTKJPCB-JTQLQIEISA-N -1 3 385.815 2.184 20 30 GEEDHM C#Cc1cccc(NC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000735391612 598474101 /nfs/dbraw/zinc/47/41/01/598474101.db2.gz UYSYWCIKZIOMOP-UHFFFAOYSA-N -1 3 388.435 2.034 20 30 GEEDHM C#Cc1cccc(NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000735391612 598474103 /nfs/dbraw/zinc/47/41/03/598474103.db2.gz UYSYWCIKZIOMOP-UHFFFAOYSA-N -1 3 388.435 2.034 20 30 GEEDHM CC[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)C(=O)c1ccc(OC)cc1 ZINC000736390059 598491929 /nfs/dbraw/zinc/49/19/29/598491929.db2.gz FTXRHSANCVFRAF-AWEZNQCLSA-N -1 3 395.448 2.478 20 30 GEEDHM CC[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)C(=O)c1ccc(OC)cc1 ZINC000736390059 598491931 /nfs/dbraw/zinc/49/19/31/598491931.db2.gz FTXRHSANCVFRAF-AWEZNQCLSA-N -1 3 395.448 2.478 20 30 GEEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000736820972 598577138 /nfs/dbraw/zinc/57/71/38/598577138.db2.gz SHRKDCWNUZZMDE-LJQANCHMSA-N -1 3 387.447 2.366 20 30 GEEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000736820972 598577140 /nfs/dbraw/zinc/57/71/40/598577140.db2.gz SHRKDCWNUZZMDE-LJQANCHMSA-N -1 3 387.447 2.366 20 30 GEEDHM C#Cc1ccc(C(=O)Nc2sc(C(=O)OCC)c(C)c2-c2nnn[n-]2)nc1 ZINC000735390221 598734302 /nfs/dbraw/zinc/73/43/02/598734302.db2.gz TVFDRYXDKQTDBC-UHFFFAOYSA-N -1 3 382.405 2.042 20 30 GEEDHM C#Cc1ccc(C(=O)Nc2sc(C(=O)OCC)c(C)c2-c2nn[n-]n2)nc1 ZINC000735390221 598734304 /nfs/dbraw/zinc/73/43/04/598734304.db2.gz TVFDRYXDKQTDBC-UHFFFAOYSA-N -1 3 382.405 2.042 20 30 GEEDHM N#CCCN(Cc1ccccn1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737695570 598753357 /nfs/dbraw/zinc/75/33/57/598753357.db2.gz UYMINEHAOYSBRX-UHFFFAOYSA-N -1 3 379.449 2.296 20 30 GEEDHM N#CCCN(Cc1ccccn1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737695570 598753359 /nfs/dbraw/zinc/75/33/59/598753359.db2.gz UYMINEHAOYSBRX-UHFFFAOYSA-N -1 3 379.449 2.296 20 30 GEEDHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000736200460 599309748 /nfs/dbraw/zinc/30/97/48/599309748.db2.gz SIOIDBVAOXBVGN-ZDUSSCGKSA-N -1 3 390.451 2.487 20 30 GEEDHM CCOc1ccccc1OCCSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000821437152 599381156 /nfs/dbraw/zinc/38/11/56/599381156.db2.gz KGCIGAVVXNIMFX-UHFFFAOYSA-N -1 3 383.437 2.285 20 30 GEEDHM CCOc1ccccc1OCCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000821437152 599381159 /nfs/dbraw/zinc/38/11/59/599381159.db2.gz KGCIGAVVXNIMFX-UHFFFAOYSA-N -1 3 383.437 2.285 20 30 GEEDHM c1cc(-c2nnn[n-]2)cc(-c2nnc(CON=C3CCC4(CC3)OCCO4)o2)c1 ZINC000823737711 599383159 /nfs/dbraw/zinc/38/31/59/599383159.db2.gz IWGJHNCXZNGJIN-UHFFFAOYSA-N -1 3 397.395 2.106 20 30 GEEDHM c1cc(-c2nn[n-]n2)cc(-c2nnc(CON=C3CCC4(CC3)OCCO4)o2)c1 ZINC000823737711 599383162 /nfs/dbraw/zinc/38/31/62/599383162.db2.gz IWGJHNCXZNGJIN-UHFFFAOYSA-N -1 3 397.395 2.106 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)nnn1-c1ccccc1 ZINC000737202911 599463356 /nfs/dbraw/zinc/46/33/56/599463356.db2.gz PURVCCVOWULTAZ-HJWRWDBZSA-N -1 3 397.402 2.300 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)nnn1-c1ccccc1 ZINC000737202911 599463358 /nfs/dbraw/zinc/46/33/58/599463358.db2.gz PURVCCVOWULTAZ-HJWRWDBZSA-N -1 3 397.402 2.300 20 30 GEEDHM O=C(CON=Cc1c(Cl)nc2ccccn21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737915847 599476023 /nfs/dbraw/zinc/47/60/23/599476023.db2.gz IZQZDRZDEGOAHH-UHFFFAOYSA-N -1 3 396.798 2.157 20 30 GEEDHM O=C(CON=Cc1c(Cl)nc2ccccn21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737915847 599476026 /nfs/dbraw/zinc/47/60/26/599476026.db2.gz IZQZDRZDEGOAHH-UHFFFAOYSA-N -1 3 396.798 2.157 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccc(C#N)cc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000826116812 607381349 /nfs/dbraw/zinc/38/13/49/607381349.db2.gz DXWWVXOFIARHJN-INIZCTEOSA-N -1 3 377.360 2.118 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1ccc(C#N)cc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000826116812 607381351 /nfs/dbraw/zinc/38/13/51/607381351.db2.gz DXWWVXOFIARHJN-INIZCTEOSA-N -1 3 377.360 2.118 20 30 GEEDHM N#CC1(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCOCC1 ZINC000737678678 599570808 /nfs/dbraw/zinc/57/08/08/599570808.db2.gz LLQPOWQEAFUJKO-UHFFFAOYSA-N -1 3 389.419 2.413 20 30 GEEDHM N#Cc1cccc(-c2nnc(COC(=O)c3sccc3-c3nnn[n-]3)o2)c1 ZINC000822837160 599659077 /nfs/dbraw/zinc/65/90/77/599659077.db2.gz HSANGPILGGNDBG-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM N#Cc1ccc(CC(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822825389 599659550 /nfs/dbraw/zinc/65/95/50/599659550.db2.gz CZEOQKFCJWISAA-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM N#Cc1ccc(CC(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822825389 599659551 /nfs/dbraw/zinc/65/95/51/599659551.db2.gz CZEOQKFCJWISAA-UHFFFAOYSA-N -1 3 387.359 2.074 20 30 GEEDHM C=CCOCCCC(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819759287 599668516 /nfs/dbraw/zinc/66/85/16/599668516.db2.gz SCZCICRDFLBOOE-NSHDSACASA-N -1 3 393.831 2.373 20 30 GEEDHM C=CCOCCCC(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819759287 599668517 /nfs/dbraw/zinc/66/85/17/599668517.db2.gz SCZCICRDFLBOOE-NSHDSACASA-N -1 3 393.831 2.373 20 30 GEEDHM C#CCN1CCC(C(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000736079018 599837310 /nfs/dbraw/zinc/83/73/10/599837310.db2.gz FXKZIUUGVICQEJ-GOSISDBHSA-N -1 3 393.281 2.210 20 30 GEEDHM N#Cc1ccc(OC[C@H](O)CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739128374 599866339 /nfs/dbraw/zinc/86/63/39/599866339.db2.gz ARGAETSUSBWWPE-OAHLLOKOSA-N -1 3 376.359 2.163 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000821736758 607413474 /nfs/dbraw/zinc/41/34/74/607413474.db2.gz NRVHPYCCHBGMSW-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000821736758 607413475 /nfs/dbraw/zinc/41/34/75/607413475.db2.gz NRVHPYCCHBGMSW-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000826174914 607428130 /nfs/dbraw/zinc/42/81/30/607428130.db2.gz MZZIKUPEKZZARE-INIZCTEOSA-N -1 3 392.419 2.415 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000826174914 607428131 /nfs/dbraw/zinc/42/81/31/607428131.db2.gz MZZIKUPEKZZARE-INIZCTEOSA-N -1 3 392.419 2.415 20 30 GEEDHM N#Cc1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000822825695 607485031 /nfs/dbraw/zinc/48/50/31/607485031.db2.gz LPXABZACSXTTLY-UHFFFAOYSA-N -1 3 393.426 2.451 20 30 GEEDHM N#Cc1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000822825695 607485033 /nfs/dbraw/zinc/48/50/33/607485033.db2.gz LPXABZACSXTTLY-UHFFFAOYSA-N -1 3 393.426 2.451 20 30 GEEDHM COc1ccc(C#N)cc1CN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821769324 607492785 /nfs/dbraw/zinc/49/27/85/607492785.db2.gz GNUOQUYNEJYNBG-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM COc1ccc(C#N)cc1CN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821769324 607492788 /nfs/dbraw/zinc/49/27/88/607492788.db2.gz GNUOQUYNEJYNBG-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM CN(C[C@@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1)C(=O)[O-] ZINC000739666174 602529646 /nfs/dbraw/zinc/52/96/46/602529646.db2.gz SNSVCCYIWPGJIJ-ZFWWWQNUSA-N -1 3 379.420 2.155 20 30 GEEDHM COc1ccc(COC(=O)Cc2ccc(OCC#N)cc2)cc1-c1nnn[n-]1 ZINC000826205929 607607949 /nfs/dbraw/zinc/60/79/49/607607949.db2.gz UPPXQGIPBXDLRN-UHFFFAOYSA-N -1 3 379.376 2.064 20 30 GEEDHM COc1ccc(COC(=O)Cc2ccc(OCC#N)cc2)cc1-c1nn[n-]n1 ZINC000826205929 607607951 /nfs/dbraw/zinc/60/79/51/607607951.db2.gz UPPXQGIPBXDLRN-UHFFFAOYSA-N -1 3 379.376 2.064 20 30 GEEDHM CC(C)[C@@](C)(CNC(=O)[O-])NCc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000738770700 603136585 /nfs/dbraw/zinc/13/65/85/603136585.db2.gz JBRGRODWXGCPLO-VBKZILBWSA-N -1 3 381.436 2.496 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000826245146 607651534 /nfs/dbraw/zinc/65/15/34/607651534.db2.gz OVUZDFFDPVWLHK-IBGZPJMESA-N -1 3 387.447 2.198 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000826245146 607651535 /nfs/dbraw/zinc/65/15/35/607651535.db2.gz OVUZDFFDPVWLHK-IBGZPJMESA-N -1 3 387.447 2.198 20 30 GEEDHM N#CCC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826381655 607680239 /nfs/dbraw/zinc/68/02/39/607680239.db2.gz UBIQHDKAFZFJQQ-HNNXBMFYSA-N -1 3 386.412 2.329 20 30 GEEDHM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)s2)cc1 ZINC000826385554 607700948 /nfs/dbraw/zinc/70/09/48/607700948.db2.gz QXECDPVLKBSIJM-UHFFFAOYSA-N -1 3 376.405 2.366 20 30 GEEDHM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)s2)cc1 ZINC000826385554 607700950 /nfs/dbraw/zinc/70/09/50/607700950.db2.gz QXECDPVLKBSIJM-UHFFFAOYSA-N -1 3 376.405 2.366 20 30 GEEDHM N#C[C@H]1CSCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444357867 649947654 /nfs/dbraw/zinc/94/76/54/649947654.db2.gz QKZSOBLCAGXWNA-JTQLQIEISA-N -1 3 378.251 2.372 20 30 GEEDHM C#CCNC(=O)C1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000833365899 605202580 /nfs/dbraw/zinc/20/25/80/605202580.db2.gz WMZSRAYOPGGESM-OAHLLOKOSA-N -1 3 379.254 2.036 20 30 GEEDHM C[C@@H]1C[C@H](CNC(=O)[O-])CN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000833829451 605895411 /nfs/dbraw/zinc/89/54/11/605895411.db2.gz GCIJHMPKGOLOIY-NFAWXSAZSA-N -1 3 379.420 2.202 20 30 GEEDHM COc1ccccc1C1N=NC(=S)N1N=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821877215 606203554 /nfs/dbraw/zinc/20/35/54/606203554.db2.gz DNFOAWSNNYITQX-UHFFFAOYSA-N -1 3 384.450 2.366 20 30 GEEDHM COc1ccccc1C1N=NC(=S)N1N=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821877215 606203556 /nfs/dbraw/zinc/20/35/56/606203556.db2.gz DNFOAWSNNYITQX-UHFFFAOYSA-N -1 3 384.450 2.366 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1sc(C)nc1C ZINC000819745579 606233767 /nfs/dbraw/zinc/23/37/67/606233767.db2.gz KTSAJBDXYGYFPB-UHFFFAOYSA-N -1 3 390.494 2.317 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1sc(C)nc1C ZINC000819745579 606233769 /nfs/dbraw/zinc/23/37/69/606233769.db2.gz KTSAJBDXYGYFPB-UHFFFAOYSA-N -1 3 390.494 2.317 20 30 GEEDHM C=CCCCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nnn[n-]1 ZINC000819733724 606252129 /nfs/dbraw/zinc/25/21/29/606252129.db2.gz AXBDXDUEGULEBO-UHFFFAOYSA-N -1 3 380.456 2.040 20 30 GEEDHM C=CCCCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1 ZINC000819733724 606252131 /nfs/dbraw/zinc/25/21/31/606252131.db2.gz AXBDXDUEGULEBO-UHFFFAOYSA-N -1 3 380.456 2.040 20 30 GEEDHM COc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)ccc1S(C)(=O)=O ZINC000821703196 606305571 /nfs/dbraw/zinc/30/55/71/606305571.db2.gz TWDAKDBWUPUKCA-SNAWJCMRSA-N -1 3 390.446 2.236 20 30 GEEDHM COc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)ccc1S(C)(=O)=O ZINC000821703196 606305573 /nfs/dbraw/zinc/30/55/73/606305573.db2.gz TWDAKDBWUPUKCA-SNAWJCMRSA-N -1 3 390.446 2.236 20 30 GEEDHM Cn1cc(-c2csc(=NC3CC3)n2N=Cc2cc(-c3nnn[n-]3)cs2)cn1 ZINC000822604951 606328865 /nfs/dbraw/zinc/32/88/65/606328865.db2.gz RPAQDNGJSLQCHW-UHFFFAOYSA-N -1 3 397.493 2.137 20 30 GEEDHM Cn1cc(-c2csc(=NC3CC3)n2N=Cc2cc(-c3nn[n-]n3)cs2)cn1 ZINC000822604951 606328867 /nfs/dbraw/zinc/32/88/67/606328867.db2.gz RPAQDNGJSLQCHW-UHFFFAOYSA-N -1 3 397.493 2.137 20 30 GEEDHM CS(=O)(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821938087 606390444 /nfs/dbraw/zinc/39/04/44/606390444.db2.gz WTMRUCGNANIOJG-ALCCZGGFSA-N -1 3 375.435 2.196 20 30 GEEDHM CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821492921 606405693 /nfs/dbraw/zinc/40/56/93/606405693.db2.gz ZLUGOZHVUZYCAF-OAHLLOKOSA-N -1 3 391.435 2.291 20 30 GEEDHM CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821492921 606405695 /nfs/dbraw/zinc/40/56/95/606405695.db2.gz ZLUGOZHVUZYCAF-OAHLLOKOSA-N -1 3 391.435 2.291 20 30 GEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC000822622284 606407677 /nfs/dbraw/zinc/40/76/77/606407677.db2.gz AQXNRPIWMBQEJN-OAHLLOKOSA-N -1 3 385.387 2.320 20 30 GEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc21 ZINC000822622284 606407679 /nfs/dbraw/zinc/40/76/79/606407679.db2.gz AQXNRPIWMBQEJN-OAHLLOKOSA-N -1 3 385.387 2.320 20 30 GEEDHM N=C(NOC(=O)CCCSc1ccc(-c2nnn[n-]2)cn1)c1cccs1 ZINC000822845668 606429291 /nfs/dbraw/zinc/42/92/91/606429291.db2.gz BRDYVGFYNMCFKE-UHFFFAOYSA-N -1 3 389.466 2.059 20 30 GEEDHM N=C(NOC(=O)CCCSc1ccc(-c2nn[n-]n2)cn1)c1cccs1 ZINC000822845668 606429293 /nfs/dbraw/zinc/42/92/93/606429293.db2.gz BRDYVGFYNMCFKE-UHFFFAOYSA-N -1 3 389.466 2.059 20 30 GEEDHM Cc1cc(F)cc2c1ncc(C#N)c2NCCNc1ncccc1-c1nnn[n-]1 ZINC000822204287 606460617 /nfs/dbraw/zinc/46/06/17/606460617.db2.gz KYNJREOYYJMVDC-UHFFFAOYSA-N -1 3 389.398 2.075 20 30 GEEDHM Cc1cc(F)cc2c1ncc(C#N)c2NCCNc1ncccc1-c1nn[n-]n1 ZINC000822204287 606460618 /nfs/dbraw/zinc/46/06/18/606460618.db2.gz KYNJREOYYJMVDC-UHFFFAOYSA-N -1 3 389.398 2.075 20 30 GEEDHM N#Cc1cc(Cl)ccc1SCc1cc(=O)n2ncc(-c3nnn[n-]3)c2[nH]1 ZINC000822819549 606629809 /nfs/dbraw/zinc/62/98/09/606629809.db2.gz VLEZKGDLSUMFNJ-UHFFFAOYSA-N -1 3 384.812 2.432 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000822136606 606791059 /nfs/dbraw/zinc/79/10/59/606791059.db2.gz MRCZFDXEAIQAQC-QGZVFWFLSA-N -1 3 390.403 2.332 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000822136606 606791060 /nfs/dbraw/zinc/79/10/60/606791060.db2.gz MRCZFDXEAIQAQC-QGZVFWFLSA-N -1 3 390.403 2.332 20 30 GEEDHM C#CCN(C1CCCCC1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819697849 606887360 /nfs/dbraw/zinc/88/73/60/606887360.db2.gz METOCRLQQDVSAC-UHFFFAOYSA-N -1 3 381.408 2.102 20 30 GEEDHM C#CCN(C1CCCCC1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819697849 606887361 /nfs/dbraw/zinc/88/73/61/606887361.db2.gz METOCRLQQDVSAC-UHFFFAOYSA-N -1 3 381.408 2.102 20 30 GEEDHM Cc1cc(C#N)ccc1OS(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822160320 606888843 /nfs/dbraw/zinc/88/88/43/606888843.db2.gz GVWNJOJAZXWHKT-UHFFFAOYSA-N -1 3 377.332 2.093 20 30 GEEDHM Cc1cc(C#N)ccc1OS(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822160320 606888844 /nfs/dbraw/zinc/88/88/44/606888844.db2.gz GVWNJOJAZXWHKT-UHFFFAOYSA-N -1 3 377.332 2.093 20 30 GEEDHM Cn1c(=O)c2ccccc2nc1NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000822601426 607147562 /nfs/dbraw/zinc/14/75/62/607147562.db2.gz ZLVNELSCEUQVHZ-UHFFFAOYSA-N -1 3 385.391 2.041 20 30 GEEDHM Cn1c(=O)c2ccccc2nc1NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000822601426 607147564 /nfs/dbraw/zinc/14/75/64/607147564.db2.gz ZLVNELSCEUQVHZ-UHFFFAOYSA-N -1 3 385.391 2.041 20 30 GEEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1cn(-c2ccccc2)nn1 ZINC000820555446 607156808 /nfs/dbraw/zinc/15/68/08/607156808.db2.gz LFBIGJWTYNIXRH-SNVBAGLBSA-N -1 3 390.436 2.150 20 30 GEEDHM C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1cn(-c2ccccc2)nn1 ZINC000820555446 607156811 /nfs/dbraw/zinc/15/68/11/607156811.db2.gz LFBIGJWTYNIXRH-SNVBAGLBSA-N -1 3 390.436 2.150 20 30 GEEDHM N#Cc1ccc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC000822830252 607203571 /nfs/dbraw/zinc/20/35/71/607203571.db2.gz ZHJIPJSDOBOEOZ-UHFFFAOYSA-N -1 3 383.803 2.020 20 30 GEEDHM N#Cc1ccc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c(Cl)c1 ZINC000822830252 607203572 /nfs/dbraw/zinc/20/35/72/607203572.db2.gz ZHJIPJSDOBOEOZ-UHFFFAOYSA-N -1 3 383.803 2.020 20 30 GEEDHM C=CCN(Cc1cccs1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819745929 607207014 /nfs/dbraw/zinc/20/70/14/607207014.db2.gz VHOAETHHXUBWAV-UHFFFAOYSA-N -1 3 375.479 2.446 20 30 GEEDHM C=CCN(Cc1cccs1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819745929 607207015 /nfs/dbraw/zinc/20/70/15/607207015.db2.gz VHOAETHHXUBWAV-UHFFFAOYSA-N -1 3 375.479 2.446 20 30 GEEDHM Cc1nc(SCC(=O)N(C[C@@H](C)C#N)C2CC2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327398 607824279 /nfs/dbraw/zinc/82/42/79/607824279.db2.gz GEZPDACJOYCDDS-JTQLQIEISA-N -1 3 385.497 2.430 20 30 GEEDHM Cc1nc(SCC(=O)N(C[C@@H](C)C#N)C2CC2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327398 607824280 /nfs/dbraw/zinc/82/42/80/607824280.db2.gz GEZPDACJOYCDDS-JTQLQIEISA-N -1 3 385.497 2.430 20 30 GEEDHM C=CCCOCCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823899029 607940486 /nfs/dbraw/zinc/94/04/86/607940486.db2.gz ILCYLFXIJRMZEF-UHFFFAOYSA-N -1 3 386.456 2.012 20 30 GEEDHM COc1ccc(CSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826207553 607983673 /nfs/dbraw/zinc/98/36/73/607983673.db2.gz SMMMOKLJOVHDDE-UHFFFAOYSA-N -1 3 394.460 2.297 20 30 GEEDHM COc1ccc(CSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826207553 607983674 /nfs/dbraw/zinc/98/36/74/607983674.db2.gz SMMMOKLJOVHDDE-UHFFFAOYSA-N -1 3 394.460 2.297 20 30 GEEDHM N#CCc1ccc(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000826382009 607985508 /nfs/dbraw/zinc/98/55/08/607985508.db2.gz KSSNZZVKEXMENW-UHFFFAOYSA-N -1 3 387.447 2.332 20 30 GEEDHM N#CCc1ccc(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000826382009 607985509 /nfs/dbraw/zinc/98/55/09/607985509.db2.gz KSSNZZVKEXMENW-UHFFFAOYSA-N -1 3 387.447 2.332 20 30 GEEDHM N#Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1-c1nnn[n-]1 ZINC000826385491 608005069 /nfs/dbraw/zinc/00/50/69/608005069.db2.gz OMTHNBRMPCGDBA-UHFFFAOYSA-N -1 3 388.347 2.309 20 30 GEEDHM N#Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1-c1nn[n-]n1 ZINC000826385491 608005070 /nfs/dbraw/zinc/00/50/70/608005070.db2.gz OMTHNBRMPCGDBA-UHFFFAOYSA-N -1 3 388.347 2.309 20 30 GEEDHM N#Cc1cc(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1F ZINC000826384138 608073509 /nfs/dbraw/zinc/07/35/09/608073509.db2.gz IFJHOMARIUVOEN-KRWDZBQOSA-N -1 3 393.382 2.483 20 30 GEEDHM N#Cc1cc(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1F ZINC000826384138 608073510 /nfs/dbraw/zinc/07/35/10/608073510.db2.gz IFJHOMARIUVOEN-KRWDZBQOSA-N -1 3 393.382 2.483 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000826386734 608083800 /nfs/dbraw/zinc/08/38/00/608083800.db2.gz QUDVDMWOGZBTMY-IBGZPJMESA-N -1 3 388.431 2.271 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826386734 608083801 /nfs/dbraw/zinc/08/38/01/608083801.db2.gz QUDVDMWOGZBTMY-IBGZPJMESA-N -1 3 388.431 2.271 20 30 GEEDHM C#CCOc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000823855939 608086672 /nfs/dbraw/zinc/08/66/72/608086672.db2.gz FJWZKMMECBLLRJ-IBGZPJMESA-N -1 3 389.415 2.092 20 30 GEEDHM C#CCOc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000823855939 608086673 /nfs/dbraw/zinc/08/66/73/608086673.db2.gz FJWZKMMECBLLRJ-IBGZPJMESA-N -1 3 389.415 2.092 20 30 GEEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000826161670 608138923 /nfs/dbraw/zinc/13/89/23/608138923.db2.gz UDVFLESYOOCHCG-UHFFFAOYSA-N -1 3 378.392 2.210 20 30 GEEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000826161670 608138924 /nfs/dbraw/zinc/13/89/24/608138924.db2.gz UDVFLESYOOCHCG-UHFFFAOYSA-N -1 3 378.392 2.210 20 30 GEEDHM COC[C@@H](C#N)OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826147927 608146395 /nfs/dbraw/zinc/14/63/95/608146395.db2.gz QWTDODKRYXPYPC-MRXNPFEDSA-N 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ZINC000824893345 608207909 /nfs/dbraw/zinc/20/79/09/608207909.db2.gz QASNHICCHXRMMY-GFCCVEGCSA-N -1 3 378.392 2.298 20 30 GEEDHM N#Cc1ccc2nc(N3CCN(c4cc(-c5nnn[n-]5)ccn4)CC3)ccc2c1 ZINC000826386321 608222112 /nfs/dbraw/zinc/22/21/12/608222112.db2.gz ZENCDBOVCHGKBO-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccc2nc(N3CCN(c4cc(-c5nn[n-]n5)ccn4)CC3)ccc2c1 ZINC000826386321 608222114 /nfs/dbraw/zinc/22/21/14/608222114.db2.gz ZENCDBOVCHGKBO-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccnc(N2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)c1 ZINC000826387546 608222556 /nfs/dbraw/zinc/22/25/56/608222556.db2.gz AYYQSRHVBIAPSH-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1ccnc(N2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)c1 ZINC000826387546 608222558 /nfs/dbraw/zinc/22/25/58/608222558.db2.gz AYYQSRHVBIAPSH-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1CON=C(N)c1nccc2ccccc21 ZINC000826172897 608323675 /nfs/dbraw/zinc/32/36/75/608323675.db2.gz CLVWQUVJWNBYAM-UHFFFAOYSA-N -1 3 375.392 2.261 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1CON=C(N)c1nccc2ccccc21 ZINC000826172897 608323677 /nfs/dbraw/zinc/32/36/77/608323677.db2.gz CLVWQUVJWNBYAM-UHFFFAOYSA-N -1 3 375.392 2.261 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1cnn(-c2ccccc2)n1 ZINC000826172854 608325287 /nfs/dbraw/zinc/32/52/87/608325287.db2.gz ATNRCLFTLKFEQW-UHFFFAOYSA-N -1 3 376.380 2.007 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1CON=Cc1cnn(-c2ccccc2)n1 ZINC000826172854 608325289 /nfs/dbraw/zinc/32/52/89/608325289.db2.gz ATNRCLFTLKFEQW-UHFFFAOYSA-N -1 3 376.380 2.007 20 30 GEEDHM N#Cc1ccc(Cl)cc1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826385599 608339939 /nfs/dbraw/zinc/33/99/39/608339939.db2.gz SSEDRWFEYSHFFT-UHFFFAOYSA-N -1 3 393.787 2.440 20 30 GEEDHM N#Cc1ccc(Cl)cc1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826385599 608339940 /nfs/dbraw/zinc/33/99/40/608339940.db2.gz SSEDRWFEYSHFFT-UHFFFAOYSA-N -1 3 393.787 2.440 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000826168908 608372474 /nfs/dbraw/zinc/37/24/74/608372474.db2.gz BSBZHGSYUMXTTQ-LJQANCHMSA-N -1 3 389.463 2.258 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000826168908 608372476 /nfs/dbraw/zinc/37/24/76/608372476.db2.gz BSBZHGSYUMXTTQ-LJQANCHMSA-N -1 3 389.463 2.258 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(COC)cc1 ZINC000823914934 608417694 /nfs/dbraw/zinc/41/76/94/608417694.db2.gz PFYPPABTKYUECV-UHFFFAOYSA-N -1 3 399.476 2.390 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(COC)cc1 ZINC000823914934 608417696 /nfs/dbraw/zinc/41/76/96/608417696.db2.gz PFYPPABTKYUECV-UHFFFAOYSA-N -1 3 399.476 2.390 20 30 GEEDHM C=CCNC(=O)c1ccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)nc1 ZINC000823925913 608441421 /nfs/dbraw/zinc/44/14/21/608441421.db2.gz QUDPBTPSUSMUOJ-UHFFFAOYSA-N -1 3 387.447 2.471 20 30 GEEDHM C=CCNC(=O)c1ccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000823925913 608441424 /nfs/dbraw/zinc/44/14/24/608441424.db2.gz QUDPBTPSUSMUOJ-UHFFFAOYSA-N -1 3 387.447 2.471 20 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GEEDHM N#Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(F)c1 ZINC000826385289 609574529 /nfs/dbraw/zinc/57/45/29/609574529.db2.gz FSKMWRWGXIZDNX-QGZVFWFLSA-N -1 3 377.383 2.485 20 30 GEEDHM N#Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(F)c1 ZINC000826385289 609574531 /nfs/dbraw/zinc/57/45/31/609574531.db2.gz FSKMWRWGXIZDNX-QGZVFWFLSA-N -1 3 377.383 2.485 20 30 GEEDHM Cc1ccnc(NCCCCN(C)c2nccc(C)c2-c2nnn[n-]2)c1C#N ZINC000826313531 609579584 /nfs/dbraw/zinc/57/95/84/609579584.db2.gz KKLHPHYWUPXCCV-UHFFFAOYSA-N -1 3 377.456 2.474 20 30 GEEDHM Cc1ccnc(NCCCCN(C)c2nccc(C)c2-c2nn[n-]n2)c1C#N ZINC000826313531 609579587 /nfs/dbraw/zinc/57/95/87/609579587.db2.gz KKLHPHYWUPXCCV-UHFFFAOYSA-N -1 3 377.456 2.474 20 30 GEEDHM C[C@]1(C#N)CCCN(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC000824778041 609589933 /nfs/dbraw/zinc/58/99/33/609589933.db2.gz MUUWHNONHFQRHR-GOSISDBHSA-N -1 3 385.497 2.435 20 30 GEEDHM C[C@]1(C#N)CCCN(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC000824778041 609589936 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C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1ncc(Br)cn1 ZINC000431622310 532518508 /nfs/dbraw/zinc/51/85/08/532518508.db2.gz FSJQELGDDUFIGJ-QMMMGPOBSA-N -1 3 385.218 2.289 20 30 GEEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@H](O)COCC1CC1 ZINC000594763181 532523049 /nfs/dbraw/zinc/52/30/49/532523049.db2.gz WEXFPZFZQFNEIY-CQSZACIVSA-N -1 3 380.491 2.147 20 30 GEEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](CO)[C@H]1CCCOC1 ZINC000594783748 532527536 /nfs/dbraw/zinc/52/75/36/532527536.db2.gz IDJNVWOBYCBSPR-DZGCQCFKSA-N -1 3 380.491 2.147 20 30 GEEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCO[C@H]1CC1(F)F ZINC000594839713 532532962 /nfs/dbraw/zinc/53/29/62/532532962.db2.gz JLKVUQXTXRNYBO-NSHDSACASA-N -1 3 381.198 2.023 20 30 GEEDHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@](C)(C#N)C2)cc1 ZINC000595367504 532560898 /nfs/dbraw/zinc/56/08/98/532560898.db2.gz RGPTTZYHOUNMPM-MRXNPFEDSA-N -1 3 385.511 2.153 20 30 GEEDHM Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000283605517 532548899 /nfs/dbraw/zinc/54/88/99/532548899.db2.gz UMBUVDBCPOYUEJ-CYBMUJFWSA-N -1 3 395.282 2.410 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCCn2cc(Br)cn2)s1 ZINC000435430874 532617020 /nfs/dbraw/zinc/61/70/20/532617020.db2.gz ASIAHEAAXNYHNH-UHFFFAOYSA-N -1 3 389.300 2.337 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccn(-c3ccc(F)cc3)n2)s1 ZINC000435444213 532618953 /nfs/dbraw/zinc/61/89/53/532618953.db2.gz VRPFPJGAOHVUBT-UHFFFAOYSA-N -1 3 376.438 2.466 20 30 GEEDHM Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C2 ZINC000376384682 532611115 /nfs/dbraw/zinc/61/11/15/532611115.db2.gz NKZWCPINUZLMJL-LLVKDONJSA-N -1 3 395.282 2.119 20 30 GEEDHM N#CC[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000597918880 532632499 /nfs/dbraw/zinc/63/24/99/532632499.db2.gz UJVJXCGWPMWVKD-NSHDSACASA-N -1 3 390.292 2.424 20 30 GEEDHM C[C@H](C#N)CN(C)S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000377119273 532643662 /nfs/dbraw/zinc/64/36/62/532643662.db2.gz IAIXEEQMVUCOJZ-MNOVXSKESA-N -1 3 383.861 2.377 20 30 GEEDHM C=CC1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CC)cc2OC)CC1 ZINC000534873636 532673492 /nfs/dbraw/zinc/67/34/92/532673492.db2.gz QQIABWPOUNDCJW-UHFFFAOYSA-N -1 3 388.511 2.044 20 30 GEEDHM CC(C)(C#N)CCS(=O)(=O)[N-][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000377925847 532674631 /nfs/dbraw/zinc/67/46/31/532674631.db2.gz ZTBWHSQTEVNFOD-AWEZNQCLSA-N -1 3 387.864 2.444 20 30 GEEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)c1nncn1C ZINC000285425297 532679361 /nfs/dbraw/zinc/67/93/61/532679361.db2.gz WDGLDQBHKUUYGQ-ZDUSSCGKSA-N -1 3 398.286 2.125 20 30 GEEDHM COc1nsc(C[N-]S(=O)(=O)CC2(CC#N)CC2)c1Br ZINC000603404529 532694770 /nfs/dbraw/zinc/69/47/70/532694770.db2.gz ZVWROHXYBUSLML-UHFFFAOYSA-N -1 3 380.289 2.027 20 30 GEEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CN1C1CC1 ZINC000577081414 532731898 /nfs/dbraw/zinc/73/18/98/532731898.db2.gz LQEPYQFAEPCMMH-GWCFXTLKSA-N -1 3 384.299 2.224 20 30 GEEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000410416952 532739599 /nfs/dbraw/zinc/73/95/99/532739599.db2.gz IOLPECJWJZEPRO-GXFFZTMASA-N -1 3 380.297 2.343 20 30 GEEDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCCCCC#N ZINC000286799961 532769581 /nfs/dbraw/zinc/76/95/81/532769581.db2.gz UVITVFLGWMKFCK-UHFFFAOYSA-N -1 3 382.258 2.313 20 30 GEEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000452032565 532771633 /nfs/dbraw/zinc/77/16/33/532771633.db2.gz WNTJDUPFDPEFHA-UKRRQHHQSA-N -1 3 389.901 2.361 20 30 GEEDHM N#Cc1cccc(C2(NC(=O)CC[N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000269587328 532784321 /nfs/dbraw/zinc/78/43/21/532784321.db2.gz AJUYPZSDHNEGKZ-UHFFFAOYSA-N -1 3 375.475 2.094 20 30 GEEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCc2nccs2)CCCC1 ZINC000329757208 532810933 /nfs/dbraw/zinc/81/09/33/532810933.db2.gz ZGFMYHKVAOTGQZ-UHFFFAOYSA-N -1 3 384.483 2.496 20 30 GEEDHM CC(C)(CCCO)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000287633945 532804241 /nfs/dbraw/zinc/80/42/41/532804241.db2.gz BNDGCYMNNBHVCO-UHFFFAOYSA-N -1 3 375.288 2.398 20 30 GEEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414452364 532827913 /nfs/dbraw/zinc/82/79/13/532827913.db2.gz MRLSZODUQAWGCP-LBPRGKRZSA-N -1 3 381.332 2.211 20 30 GEEDHM CCc1nnc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000289508120 532857257 /nfs/dbraw/zinc/85/72/57/532857257.db2.gz LORXPOVYMLYUND-UHFFFAOYSA-N -1 3 376.385 2.469 20 30 GEEDHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)NCC(F)(F)C(F)F ZINC000290424484 532880736 /nfs/dbraw/zinc/88/07/36/532880736.db2.gz MMRRBUHFTAGMFI-UHFFFAOYSA-N -1 3 396.284 2.000 20 30 GEEDHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2cccnc2C#N)N(C)C)cc1 ZINC000293985011 532934307 /nfs/dbraw/zinc/93/43/07/532934307.db2.gz FAMLWQAXOOSUSC-MRXNPFEDSA-N -1 3 376.507 2.256 20 30 GEEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(OCC#N)cc1 ZINC000736189256 598843476 /nfs/dbraw/zinc/84/34/76/598843476.db2.gz SKSDPXVAKMJJEJ-CYBMUJFWSA-N -1 3 379.376 2.280 20 30 GEEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(OCC#N)cc1 ZINC000736189256 598843478 /nfs/dbraw/zinc/84/34/78/598843478.db2.gz SKSDPXVAKMJJEJ-CYBMUJFWSA-N -1 3 379.376 2.280 20 30 GEEDHM C#CCN1CCC[C@H]1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735381121 598846476 /nfs/dbraw/zinc/84/64/76/598846476.db2.gz LZTLCTSBVOYUQX-INIZCTEOSA-N -1 3 392.488 2.309 20 30 GEEDHM C#CCN1CCC[C@H]1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735381121 598846478 /nfs/dbraw/zinc/84/64/78/598846478.db2.gz LZTLCTSBVOYUQX-INIZCTEOSA-N -1 3 392.488 2.309 20 30 GEEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736336650 598873507 /nfs/dbraw/zinc/87/35/07/598873507.db2.gz FNOXXSWHKJKZRF-UHFFFAOYSA-N -1 3 380.449 2.346 20 30 GEEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736336650 598873509 /nfs/dbraw/zinc/87/35/09/598873509.db2.gz FNOXXSWHKJKZRF-UHFFFAOYSA-N -1 3 380.449 2.346 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736896756 598896039 /nfs/dbraw/zinc/89/60/39/598896039.db2.gz JUBCGWIDQULHFE-LENZSSGSSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736896756 598896040 /nfs/dbraw/zinc/89/60/40/598896040.db2.gz JUBCGWIDQULHFE-LENZSSGSSA-N -1 3 389.371 2.209 20 30 GEEDHM N#C[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CCN1Cc1ccccc1 ZINC000737678108 598908926 /nfs/dbraw/zinc/90/89/26/598908926.db2.gz GUOBNQHOXNBMGJ-GNISGLHKSA-N -1 3 399.458 2.116 20 30 GEEDHM N#C[C@@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CCN1Cc1ccccc1 ZINC000737678108 598908928 /nfs/dbraw/zinc/90/89/28/598908928.db2.gz GUOBNQHOXNBMGJ-GNISGLHKSA-N -1 3 399.458 2.116 20 30 GEEDHM CC(=O)N[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccs1 ZINC000735476323 598914572 /nfs/dbraw/zinc/91/45/72/598914572.db2.gz UGDDNOUSEGMGEW-AWEZNQCLSA-N -1 3 381.421 2.006 20 30 GEEDHM CC(=O)N[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccs1 ZINC000735476323 598914573 /nfs/dbraw/zinc/91/45/73/598914573.db2.gz UGDDNOUSEGMGEW-AWEZNQCLSA-N -1 3 381.421 2.006 20 30 GEEDHM CC(=O)N[C@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000735474020 598914596 /nfs/dbraw/zinc/91/45/96/598914596.db2.gz GKCCNJCXZGMLJM-CQSZACIVSA-N -1 3 381.421 2.006 20 30 GEEDHM CC(=O)N[C@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000735474020 598914597 /nfs/dbraw/zinc/91/45/97/598914597.db2.gz GKCCNJCXZGMLJM-CQSZACIVSA-N -1 3 381.421 2.006 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)ccc1-c1nnn[n-]1 ZINC000737709938 598914653 /nfs/dbraw/zinc/91/46/53/598914653.db2.gz SBZCOBWMGGLZOE-UHFFFAOYSA-N -1 3 396.794 2.344 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC000737709938 598914654 /nfs/dbraw/zinc/91/46/54/598914654.db2.gz SBZCOBWMGGLZOE-UHFFFAOYSA-N -1 3 396.794 2.344 20 30 GEEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000819772270 607253657 /nfs/dbraw/zinc/25/36/57/607253657.db2.gz BPSCRSKOIUSCRM-UHFFFAOYSA-N -1 3 377.408 2.337 20 30 GEEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000819772270 607253658 /nfs/dbraw/zinc/25/36/58/607253658.db2.gz BPSCRSKOIUSCRM-UHFFFAOYSA-N 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598960830 /nfs/dbraw/zinc/96/08/30/598960830.db2.gz IVVCMKOHBBQPDH-UHFFFAOYSA-N -1 3 397.446 2.398 20 30 GEEDHM O=C1Nc2c(cccc2C(F)(F)F)C1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823547196 607254762 /nfs/dbraw/zinc/25/47/62/607254762.db2.gz GRXQSWYPYFMUEJ-UHFFFAOYSA-N -1 3 387.325 2.332 20 30 GEEDHM O=C1Nc2c(cccc2C(F)(F)F)C1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823547196 607254763 /nfs/dbraw/zinc/25/47/63/607254763.db2.gz GRXQSWYPYFMUEJ-UHFFFAOYSA-N -1 3 387.325 2.332 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735388032 598962388 /nfs/dbraw/zinc/96/23/88/598962388.db2.gz PPFMVLDPMGJNLM-CQSZACIVSA-N -1 3 376.420 2.439 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735388032 598962389 /nfs/dbraw/zinc/96/23/89/598962389.db2.gz PPFMVLDPMGJNLM-CQSZACIVSA-N -1 3 376.420 2.439 20 30 GEEDHM COc1ccc(OC)c(C=NOCCOc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000737108301 598977902 /nfs/dbraw/zinc/97/79/02/598977902.db2.gz JXPGHGGHMQNGNE-UHFFFAOYSA-N -1 3 399.407 2.322 20 30 GEEDHM COc1ccc(OC)c(C=NOCCOc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000737108301 598977903 /nfs/dbraw/zinc/97/79/03/598977903.db2.gz JXPGHGGHMQNGNE-UHFFFAOYSA-N -1 3 399.407 2.322 20 30 GEEDHM Cn1cc(-c2csc(=NC3CC3)n2N=Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737592133 599033249 /nfs/dbraw/zinc/03/32/49/599033249.db2.gz KECMPJRTFPTMMV-UHFFFAOYSA-N -1 3 391.464 2.076 20 30 GEEDHM Cn1cc(-c2csc(=NC3CC3)n2N=Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737592133 599033251 /nfs/dbraw/zinc/03/32/51/599033251.db2.gz KECMPJRTFPTMMV-UHFFFAOYSA-N -1 3 391.464 2.076 20 30 GEEDHM N#CCCCOc1cccc(N[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737688580 599094128 /nfs/dbraw/zinc/09/41/28/599094128.db2.gz VRKIGVDJOYSVLA-QGZVFWFLSA-N -1 3 377.408 2.188 20 30 GEEDHM N#CCCCOc1cccc(N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737688580 599094130 /nfs/dbraw/zinc/09/41/30/599094130.db2.gz VRKIGVDJOYSVLA-QGZVFWFLSA-N -1 3 377.408 2.188 20 30 GEEDHM COc1ccc(C=NN2C(=S)N=NC2c2cccs2)cc1-c1nnn[n-]1 ZINC000737082738 599126805 /nfs/dbraw/zinc/12/68/05/599126805.db2.gz JIOUACVMRRHGRD-UHFFFAOYSA-N -1 3 384.450 2.366 20 30 GEEDHM COc1ccc(C=NN2C(=S)N=NC2c2cccs2)cc1-c1nn[n-]n1 ZINC000737082738 599126808 /nfs/dbraw/zinc/12/68/08/599126808.db2.gz JIOUACVMRRHGRD-UHFFFAOYSA-N -1 3 384.450 2.366 20 30 GEEDHM N#Cc1nc(N)n(CCOc2ccc(Oc3ccccc3)cc2)c1-c1nnn[n-]1 ZINC000737727806 599165219 /nfs/dbraw/zinc/16/52/19/599165219.db2.gz BUHICHOWVWIWCF-UHFFFAOYSA-N -1 3 388.391 2.388 20 30 GEEDHM N#Cc1nc(N)n(CCOc2ccc(Oc3ccccc3)cc2)c1-c1nn[n-]n1 ZINC000737727806 599165220 /nfs/dbraw/zinc/16/52/20/599165220.db2.gz BUHICHOWVWIWCF-UHFFFAOYSA-N -1 3 388.391 2.388 20 30 GEEDHM COCCOCc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1F ZINC000737011459 599197153 /nfs/dbraw/zinc/19/71/53/599197153.db2.gz SXEJRLNAPNRFED-UHFFFAOYSA-N -1 3 396.382 2.293 20 30 GEEDHM COCCOCc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1F ZINC000737011459 599197156 /nfs/dbraw/zinc/19/71/56/599197156.db2.gz SXEJRLNAPNRFED-UHFFFAOYSA-N -1 3 396.382 2.293 20 30 GEEDHM C=CCOc1ccc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000735437358 599244519 /nfs/dbraw/zinc/24/45/19/599244519.db2.gz FOIBFLAXDKTJOR-UHFFFAOYSA-N -1 3 395.419 2.249 20 30 GEEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCN(c2cc(C#N)ccn2)CC1 ZINC000737407452 599265415 /nfs/dbraw/zinc/26/54/15/599265415.db2.gz BIWXFQSKAHIUOM-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCN(c2cc(C#N)ccn2)CC1 ZINC000737407452 599265417 /nfs/dbraw/zinc/26/54/17/599265417.db2.gz BIWXFQSKAHIUOM-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM Cc1cc(C)c2ncc(C#N)c(NCCNc3ccc(-c4nnn[n-]4)cn3)c2c1 ZINC000737249017 599270335 /nfs/dbraw/zinc/27/03/35/599270335.db2.gz QJKHCFMGSCSEBY-UHFFFAOYSA-N -1 3 385.435 2.244 20 30 GEEDHM Cc1cc(C)c2ncc(C#N)c(NCCNc3ccc(-c4nn[n-]n4)cn3)c2c1 ZINC000737249017 599270337 /nfs/dbraw/zinc/27/03/37/599270337.db2.gz QJKHCFMGSCSEBY-UHFFFAOYSA-N -1 3 385.435 2.244 20 30 GEEDHM N#CCCn1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000822811168 599285023 /nfs/dbraw/zinc/28/50/23/599285023.db2.gz TXOVQXCZKWCNNY-UHFFFAOYSA-N -1 3 377.412 2.173 20 30 GEEDHM N#CCCn1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000822811168 599285025 /nfs/dbraw/zinc/28/50/25/599285025.db2.gz TXOVQXCZKWCNNY-UHFFFAOYSA-N -1 3 377.412 2.173 20 30 GEEDHM N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000822833304 607328179 /nfs/dbraw/zinc/32/81/79/607328179.db2.gz NRXABGOHZGOKEU-UHFFFAOYSA-N -1 3 378.776 2.332 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)cc1Cl ZINC000822833893 607328199 /nfs/dbraw/zinc/32/81/99/607328199.db2.gz ZLVFXMBLRVGVCB-UHFFFAOYSA-N -1 3 378.776 2.332 20 30 GEEDHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(S[C@H](C)C(=O)N(C)CCC#N)n1 ZINC000737247153 598295917 /nfs/dbraw/zinc/29/59/17/598295917.db2.gz ZPTWIICUULMHGI-SECBINFHSA-N -1 3 399.402 2.442 20 30 GEEDHM Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(O)c1O ZINC000738397995 598316467 /nfs/dbraw/zinc/31/64/67/598316467.db2.gz RUSDOKDISQAXIV-UHFFFAOYSA-N -1 3 380.286 2.448 20 30 GEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000822655599 607353164 /nfs/dbraw/zinc/35/31/64/607353164.db2.gz OSWPBKWAHATWOA-UHFFFAOYSA-N -1 3 391.309 2.312 20 30 GEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000822655599 607353165 /nfs/dbraw/zinc/35/31/65/607353165.db2.gz OSWPBKWAHATWOA-UHFFFAOYSA-N -1 3 391.309 2.312 20 30 GEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000737239768 598372603 /nfs/dbraw/zinc/37/26/03/598372603.db2.gz GLWRGFLEBHCINQ-OAHLLOKOSA-N -1 3 396.476 2.477 20 30 GEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000737239768 598372605 /nfs/dbraw/zinc/37/26/05/598372605.db2.gz GLWRGFLEBHCINQ-OAHLLOKOSA-N -1 3 396.476 2.477 20 30 GEEDHM C#CCOc1cccc(COC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000735381285 598414391 /nfs/dbraw/zinc/41/43/91/598414391.db2.gz SJBSMBPBHZEHTK-AWEZNQCLSA-N -1 3 378.388 2.389 20 30 GEEDHM C#CCOc1cccc(COC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000735381285 598414392 /nfs/dbraw/zinc/41/43/92/598414392.db2.gz SJBSMBPBHZEHTK-AWEZNQCLSA-N -1 3 378.388 2.389 20 30 GEEDHM CCOc1ccc(O)c(C=NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000736645959 598439484 /nfs/dbraw/zinc/43/94/84/598439484.db2.gz BKDMTLZIRYWNGE-FYJGNVAPSA-N -1 3 393.451 2.454 20 30 GEEDHM CCOc1ccc(O)c(C=NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000736645959 598439486 /nfs/dbraw/zinc/43/94/86/598439486.db2.gz BKDMTLZIRYWNGE-FYJGNVAPSA-N -1 3 393.451 2.454 20 30 GEEDHM CC[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)C(=O)c1ccc(OC)cc1 ZINC000736390060 598491902 /nfs/dbraw/zinc/49/19/02/598491902.db2.gz FTXRHSANCVFRAF-CQSZACIVSA-N -1 3 395.448 2.478 20 30 GEEDHM CC[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)C(=O)c1ccc(OC)cc1 ZINC000736390060 598491903 /nfs/dbraw/zinc/49/19/03/598491903.db2.gz FTXRHSANCVFRAF-CQSZACIVSA-N -1 3 395.448 2.478 20 30 GEEDHM N#Cc1cccc(CS(=O)(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737730031 598507789 /nfs/dbraw/zinc/50/77/89/598507789.db2.gz DOUQCZYRAJSUMG-UHFFFAOYSA-N -1 3 394.460 2.233 20 30 GEEDHM N#Cc1cccc(CS(=O)(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737730031 598507791 /nfs/dbraw/zinc/50/77/91/598507791.db2.gz DOUQCZYRAJSUMG-UHFFFAOYSA-N -1 3 394.460 2.233 20 30 GEEDHM COC[C@](C)(C#N)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000821680787 607358779 /nfs/dbraw/zinc/35/87/79/607358779.db2.gz UWKQKEXEGXXJCW-FQEVSTJZSA-N -1 3 392.419 2.104 20 30 GEEDHM COC[C@](C)(C#N)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000821680787 607358781 /nfs/dbraw/zinc/35/87/81/607358781.db2.gz UWKQKEXEGXXJCW-FQEVSTJZSA-N -1 3 392.419 2.104 20 30 GEEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735503147 598691129 /nfs/dbraw/zinc/69/11/29/598691129.db2.gz HEWZDPDKIIIKGH-HXUWFJFHSA-N -1 3 376.420 2.277 20 30 GEEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735503147 598691131 /nfs/dbraw/zinc/69/11/31/598691131.db2.gz HEWZDPDKIIIKGH-HXUWFJFHSA-N -1 3 376.420 2.277 20 30 GEEDHM N#CCOc1ccc(CC(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737695169 598724621 /nfs/dbraw/zinc/72/46/21/598724621.db2.gz KGUVPIKZFMOXBS-UHFFFAOYSA-N -1 3 393.403 2.324 20 30 GEEDHM C=CCOc1ccc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1OC ZINC000735436295 598737739 /nfs/dbraw/zinc/73/77/39/598737739.db2.gz IKYSHCFSXWPSBY-UHFFFAOYSA-N -1 3 396.407 2.104 20 30 GEEDHM C=CCOc1ccc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1OC ZINC000735436295 598737740 /nfs/dbraw/zinc/73/77/40/598737740.db2.gz IKYSHCFSXWPSBY-UHFFFAOYSA-N -1 3 396.407 2.104 20 30 GEEDHM N#Cc1ccc(CC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737711715 598745990 /nfs/dbraw/zinc/74/59/90/598745990.db2.gz JTLDRVJNYLGWMA-UHFFFAOYSA-N -1 3 388.431 2.351 20 30 GEEDHM N#CCOc1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737696255 598812976 /nfs/dbraw/zinc/81/29/76/598812976.db2.gz PQCBZNZSMSGPCT-UHFFFAOYSA-N -1 3 393.426 2.230 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820445171 599324445 /nfs/dbraw/zinc/32/44/45/599324445.db2.gz ODYQFHYAOCFNNW-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820445171 599324448 /nfs/dbraw/zinc/32/44/48/599324448.db2.gz ODYQFHYAOCFNNW-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM N#Cc1cnc2ccccc2c1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822842662 599522868 /nfs/dbraw/zinc/52/28/68/599522868.db2.gz SKKPWGYPFBGJTB-UHFFFAOYSA-N -1 3 397.446 2.184 20 30 GEEDHM N#Cc1cnc2ccccc2c1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822842662 599522870 /nfs/dbraw/zinc/52/28/70/599522870.db2.gz SKKPWGYPFBGJTB-UHFFFAOYSA-N -1 3 397.446 2.184 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826257259 607383711 /nfs/dbraw/zinc/38/37/11/607383711.db2.gz VGPKVRAIIYFUJY-LBPRGKRZSA-N -1 3 376.376 2.231 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826257259 607383713 /nfs/dbraw/zinc/38/37/13/607383713.db2.gz VGPKVRAIIYFUJY-LBPRGKRZSA-N -1 3 376.376 2.231 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1cc(C(C)C)on1 ZINC000819743354 599602101 /nfs/dbraw/zinc/60/21/01/599602101.db2.gz HGASKJAXTVHZAX-UHFFFAOYSA-N -1 3 395.423 2.131 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1cc(C(C)C)on1 ZINC000819743354 599602103 /nfs/dbraw/zinc/60/21/03/599602103.db2.gz HGASKJAXTVHZAX-UHFFFAOYSA-N -1 3 395.423 2.131 20 30 GEEDHM C=CCOCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1 ZINC000819758756 599628197 /nfs/dbraw/zinc/62/81/97/599628197.db2.gz GYLZBNGMPAHDOT-UHFFFAOYSA-N -1 3 379.442 2.335 20 30 GEEDHM C=CCOCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1 ZINC000819758756 599628198 /nfs/dbraw/zinc/62/81/98/599628198.db2.gz GYLZBNGMPAHDOT-UHFFFAOYSA-N -1 3 379.442 2.335 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O ZINC000826251659 607386513 /nfs/dbraw/zinc/38/65/13/607386513.db2.gz XBVWXCASOJMCPR-AWEZNQCLSA-N -1 3 394.416 2.071 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O ZINC000826251659 607386515 /nfs/dbraw/zinc/38/65/15/607386515.db2.gz XBVWXCASOJMCPR-AWEZNQCLSA-N -1 3 394.416 2.071 20 30 GEEDHM N#Cc1ccsc1C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822842605 599658810 /nfs/dbraw/zinc/65/88/10/599658810.db2.gz PURVODZYYHBSDI-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM N#Cc1ccsc1C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822842605 599658811 /nfs/dbraw/zinc/65/88/11/599658811.db2.gz PURVODZYYHBSDI-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM Cc1oc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(C#N)c1C ZINC000826252187 607388574 /nfs/dbraw/zinc/38/85/74/607388574.db2.gz SNUNGQUDSQTTAT-UHFFFAOYSA-N -1 3 380.364 2.052 20 30 GEEDHM Cc1oc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(C#N)c1C ZINC000826252187 607388577 /nfs/dbraw/zinc/38/85/77/607388577.db2.gz SNUNGQUDSQTTAT-UHFFFAOYSA-N -1 3 380.364 2.052 20 30 GEEDHM Cc1c(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826241134 607397563 /nfs/dbraw/zinc/39/75/63/607397563.db2.gz SMCVTRZMHSRFJR-KRWDZBQOSA-N -1 3 389.419 2.275 20 30 GEEDHM Cc1c(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826241134 607397565 /nfs/dbraw/zinc/39/75/65/607397565.db2.gz SMCVTRZMHSRFJR-KRWDZBQOSA-N -1 3 389.419 2.275 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000824104855 607431074 /nfs/dbraw/zinc/43/10/74/607431074.db2.gz ZYPAFOUAKWWWNI-LJQANCHMSA-N -1 3 397.439 2.466 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000824104855 607431076 /nfs/dbraw/zinc/43/10/76/607431076.db2.gz ZYPAFOUAKWWWNI-LJQANCHMSA-N -1 3 397.439 2.466 20 30 GEEDHM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000739066537 600298705 /nfs/dbraw/zinc/29/87/05/600298705.db2.gz OGNCWIHRCYOLPH-CABCVRRESA-N -1 3 376.416 2.410 20 30 GEEDHM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)ccc1N1CCC(O)CC1 ZINC000822823626 607484890 /nfs/dbraw/zinc/48/48/90/607484890.db2.gz VANYBUSPPJLDEG-UHFFFAOYSA-N -1 3 393.426 2.451 20 30 GEEDHM N#Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)ccc1N1CCC(O)CC1 ZINC000822823626 607484894 /nfs/dbraw/zinc/48/48/94/607484894.db2.gz VANYBUSPPJLDEG-UHFFFAOYSA-N -1 3 393.426 2.451 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000821732104 607492866 /nfs/dbraw/zinc/49/28/66/607492866.db2.gz JZXFYNRIWNHKQJ-UHFFFAOYSA-N -1 3 393.426 2.208 20 30 GEEDHM CC(C)c1nc(CN(C)[C@@H]2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)no1 ZINC000827152289 601321266 /nfs/dbraw/zinc/32/12/66/601321266.db2.gz GJGMIVMUDHAUJS-SJLPKXTDSA-N -1 3 383.452 2.397 20 30 GEEDHM CC(C)c1nc(CN(C)[C@H]2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)C2)no1 ZINC000827152291 601321292 /nfs/dbraw/zinc/32/12/92/601321292.db2.gz GJGMIVMUDHAUJS-WMZOPIPTSA-N -1 3 383.452 2.397 20 30 GEEDHM COc1ccc(COC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826204535 607596657 /nfs/dbraw/zinc/59/66/57/607596657.db2.gz OSKHCBVNNVEPOB-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(COC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826204535 607596660 /nfs/dbraw/zinc/59/66/60/607596660.db2.gz OSKHCBVNNVEPOB-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(COC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000826204517 607600205 /nfs/dbraw/zinc/60/02/05/607600205.db2.gz NVEWTKWAQQPZRA-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(COC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000826204517 607600206 /nfs/dbraw/zinc/60/02/06/607600206.db2.gz NVEWTKWAQQPZRA-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000826255462 607603651 /nfs/dbraw/zinc/60/36/51/607603651.db2.gz YSHSSSQYSRHPRW-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000826255462 607603652 /nfs/dbraw/zinc/60/36/52/607603652.db2.gz YSHSSSQYSRHPRW-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000828030951 604187228 /nfs/dbraw/zinc/18/72/28/604187228.db2.gz MKFKBMASCWFDHL-ZWKOTPCHSA-N -1 3 387.484 2.068 20 30 GEEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000828030945 604187263 /nfs/dbraw/zinc/18/72/63/604187263.db2.gz MKFKBMASCWFDHL-QZTJIDSGSA-N -1 3 387.484 2.068 20 30 GEEDHM CCOc1ccnc(N2CCCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)n1 ZINC000830117215 604682150 /nfs/dbraw/zinc/68/21/50/604682150.db2.gz UFSJUVLXBBWBJM-SFHVURJKSA-N -1 3 381.436 2.085 20 30 GEEDHM Cc1ccc2c(n1)c(=O)c(C#N)cn2CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826295178 607717115 /nfs/dbraw/zinc/71/71/15/607717115.db2.gz VEHMKXPLHHNIPP-UHFFFAOYSA-N -1 3 387.403 2.226 20 30 GEEDHM Cc1ccc2c(n1)c(=O)c(C#N)cn2CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826295178 607717117 /nfs/dbraw/zinc/71/71/17/607717117.db2.gz VEHMKXPLHHNIPP-UHFFFAOYSA-N -1 3 387.403 2.226 20 30 GEEDHM N#CC(C(=O)CC[C@@H]1CCCN1C(=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000833962277 605492569 /nfs/dbraw/zinc/49/25/69/605492569.db2.gz YLAVOFIOZDPANE-UONOGXRCSA-N -1 3 387.392 2.028 20 30 GEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000822655727 606219024 /nfs/dbraw/zinc/21/90/24/606219024.db2.gz VMEUCISPMRHQCH-UHFFFAOYSA-N -1 3 390.432 2.376 20 30 GEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000822655727 606219025 /nfs/dbraw/zinc/21/90/25/606219025.db2.gz VMEUCISPMRHQCH-UHFFFAOYSA-N -1 3 390.432 2.376 20 30 GEEDHM CCOc1ccc(C#N)cc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821418327 606246662 /nfs/dbraw/zinc/24/66/62/606246662.db2.gz ZTQKUGHVDMFASK-CYBMUJFWSA-N -1 3 395.448 2.416 20 30 GEEDHM CCOc1ccc(C#N)cc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821418327 606246664 /nfs/dbraw/zinc/24/66/64/606246664.db2.gz ZTQKUGHVDMFASK-CYBMUJFWSA-N -1 3 395.448 2.416 20 30 GEEDHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2cc(C#N)cn2C)c1C ZINC000822482761 606256915 /nfs/dbraw/zinc/25/69/15/606256915.db2.gz ZXPYAFOBBDTDGF-UHFFFAOYSA-N -1 3 387.407 2.132 20 30 GEEDHM N#Cc1ccccc1Sc1ccc(C(=O)n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000822842440 606262743 /nfs/dbraw/zinc/26/27/43/606262743.db2.gz IJWORBPMBUQFCH-UHFFFAOYSA-N -1 3 388.416 2.357 20 30 GEEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822801190 606300890 /nfs/dbraw/zinc/30/08/90/606300890.db2.gz GJYVERXEJQTWTP-BBRMVZONSA-N -1 3 375.392 2.476 20 30 GEEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822801190 606300892 /nfs/dbraw/zinc/30/08/92/606300892.db2.gz GJYVERXEJQTWTP-BBRMVZONSA-N -1 3 375.392 2.476 20 30 GEEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000822805983 606301536 /nfs/dbraw/zinc/30/15/36/606301536.db2.gz HQDCTGLXJXAPLF-XJKSGUPXSA-N -1 3 378.392 2.461 20 30 GEEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000822805983 606301538 /nfs/dbraw/zinc/30/15/38/606301538.db2.gz HQDCTGLXJXAPLF-XJKSGUPXSA-N -1 3 378.392 2.461 20 30 GEEDHM C=CCN=c1scc(-c2cnn(C)c2)n1N=Cc1cc(-c2nnn[n-]2)cs1 ZINC000819751067 606327270 /nfs/dbraw/zinc/32/72/70/606327270.db2.gz OFHFIUUZXXKQBO-UHFFFAOYSA-N -1 3 397.493 2.161 20 30 GEEDHM C=CCN=c1scc(-c2cnn(C)c2)n1N=Cc1cc(-c2nn[n-]n2)cs1 ZINC000819751067 606327272 /nfs/dbraw/zinc/32/72/72/606327272.db2.gz OFHFIUUZXXKQBO-UHFFFAOYSA-N -1 3 397.493 2.161 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822801597 606433086 /nfs/dbraw/zinc/43/30/86/606433086.db2.gz KRZWCAGXVKDIIC-MSOLQXFVSA-N -1 3 394.460 2.327 20 30 GEEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822801597 606433089 /nfs/dbraw/zinc/43/30/89/606433089.db2.gz KRZWCAGXVKDIIC-MSOLQXFVSA-N -1 3 394.460 2.327 20 30 GEEDHM CN(CCCc1[nH]nc(N)c1C#N)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000821601598 606443449 /nfs/dbraw/zinc/44/34/49/606443449.db2.gz PUMPVSOPCXUUOZ-UHFFFAOYSA-N -1 3 391.361 2.131 20 30 GEEDHM Cc1nnc(NC2CCN(c3ccccc3C#N)CC2)c(-c2nnn[n-]2)c1C ZINC000822515833 606481307 /nfs/dbraw/zinc/48/13/07/606481307.db2.gz QMJYPIAZCIVWCD-UHFFFAOYSA-N -1 3 375.440 2.226 20 30 GEEDHM Cc1nnc(NC2CCN(c3ccccc3C#N)CC2)c(-c2nn[n-]n2)c1C ZINC000822515833 606481309 /nfs/dbraw/zinc/48/13/09/606481309.db2.gz QMJYPIAZCIVWCD-UHFFFAOYSA-N -1 3 375.440 2.226 20 30 GEEDHM N#Cc1ccc(C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)s1 ZINC000822822885 606526892 /nfs/dbraw/zinc/52/68/92/606526892.db2.gz GQVNKSICRXUPRU-UHFFFAOYSA-N -1 3 379.449 2.152 20 30 GEEDHM N#Cc1ccc(C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)s1 ZINC000822822885 606526894 /nfs/dbraw/zinc/52/68/94/606526894.db2.gz GQVNKSICRXUPRU-UHFFFAOYSA-N -1 3 379.449 2.152 20 30 GEEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1ccc(CC#N)cc1 ZINC000821308907 606599836 /nfs/dbraw/zinc/59/98/36/606599836.db2.gz HQLWTWGIBQWSDA-UHFFFAOYSA-N -1 3 376.424 2.415 20 30 GEEDHM C[C@H](Nc1ccn(CCC#N)n1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820461393 606655753 /nfs/dbraw/zinc/65/57/53/606655753.db2.gz JDGYFEFVQGDGGT-JTQLQIEISA-N -1 3 385.819 2.069 20 30 GEEDHM C[C@H](Nc1ccn(CCC#N)n1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820461393 606655754 /nfs/dbraw/zinc/65/57/54/606655754.db2.gz JDGYFEFVQGDGGT-JTQLQIEISA-N -1 3 385.819 2.069 20 30 GEEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000822802254 606708925 /nfs/dbraw/zinc/70/89/25/606708925.db2.gz YEHODWCHPFOIRA-IBGZPJMESA-N -1 3 377.427 2.388 20 30 GEEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000822802254 606708927 /nfs/dbraw/zinc/70/89/27/606708927.db2.gz YEHODWCHPFOIRA-IBGZPJMESA-N -1 3 377.427 2.388 20 30 GEEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000822802255 606709005 /nfs/dbraw/zinc/70/90/05/606709005.db2.gz YEHODWCHPFOIRA-LJQANCHMSA-N -1 3 377.427 2.388 20 30 GEEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000822802255 606709007 /nfs/dbraw/zinc/70/90/07/606709007.db2.gz YEHODWCHPFOIRA-LJQANCHMSA-N -1 3 377.427 2.388 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1sccc1OC ZINC000819745461 606731763 /nfs/dbraw/zinc/73/17/63/606731763.db2.gz DWECGTJNHDMFLF-UHFFFAOYSA-N -1 3 391.478 2.314 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1sccc1OC ZINC000819745461 606731765 /nfs/dbraw/zinc/73/17/65/606731765.db2.gz DWECGTJNHDMFLF-UHFFFAOYSA-N -1 3 391.478 2.314 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000821648143 606755650 /nfs/dbraw/zinc/75/56/50/606755650.db2.gz BYGROCPUBUZIOA-HNNXBMFYSA-N -1 3 399.313 2.088 20 30 GEEDHM COC(=O)[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000821648143 606755653 /nfs/dbraw/zinc/75/56/53/606755653.db2.gz BYGROCPUBUZIOA-HNNXBMFYSA-N -1 3 399.313 2.088 20 30 GEEDHM C=C(C)COCCNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000819722956 606790995 /nfs/dbraw/zinc/79/09/95/606790995.db2.gz SIZFOPXLXXMOMI-UHFFFAOYSA-N -1 3 376.367 2.443 20 30 GEEDHM C=C(C)COCCNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000819722956 606790997 /nfs/dbraw/zinc/79/09/97/606790997.db2.gz SIZFOPXLXXMOMI-UHFFFAOYSA-N -1 3 376.367 2.443 20 30 GEEDHM C(=NOCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cncn2)cc1 ZINC000819718582 606836720 /nfs/dbraw/zinc/83/67/20/606836720.db2.gz KRPOQIJVLBYMJL-UHFFFAOYSA-N -1 3 390.407 2.267 20 30 GEEDHM C(=NOCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cncn2)cc1 ZINC000819718582 606836722 /nfs/dbraw/zinc/83/67/22/606836722.db2.gz KRPOQIJVLBYMJL-UHFFFAOYSA-N -1 3 390.407 2.267 20 30 GEEDHM O=C(C=NOCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cccc(F)c1 ZINC000822934655 606837837 /nfs/dbraw/zinc/83/78/37/606837837.db2.gz AWERRWQNXPPXRV-UHFFFAOYSA-N -1 3 384.371 2.416 20 30 GEEDHM O=C(C=NOCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc(F)c1 ZINC000822934655 606837839 /nfs/dbraw/zinc/83/78/39/606837839.db2.gz AWERRWQNXPPXRV-UHFFFAOYSA-N -1 3 384.371 2.416 20 30 GEEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(CC#N)ccn1 ZINC000820032665 606944951 /nfs/dbraw/zinc/94/49/51/606944951.db2.gz PLPDOXYOYNEKDZ-KRWDZBQOSA-N -1 3 377.408 2.370 20 30 GEEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(CC#N)ccn1 ZINC000820032665 606944953 /nfs/dbraw/zinc/94/49/53/606944953.db2.gz PLPDOXYOYNEKDZ-KRWDZBQOSA-N -1 3 377.408 2.370 20 30 GEEDHM COC(=O)C[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821657064 606952217 /nfs/dbraw/zinc/95/22/17/606952217.db2.gz GSXGOGOKHGPUCN-GXFFZTMASA-N -1 3 396.432 2.366 20 30 GEEDHM COC(=O)C[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821657064 606952218 /nfs/dbraw/zinc/95/22/18/606952218.db2.gz GSXGOGOKHGPUCN-GXFFZTMASA-N -1 3 396.432 2.366 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(-n2ccnn2)c1 ZINC000823914355 607888350 /nfs/dbraw/zinc/88/83/50/607888350.db2.gz HHBBIOWMCXYSHL-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(-n2ccnn2)c1 ZINC000823914355 607888351 /nfs/dbraw/zinc/88/83/51/607888351.db2.gz HHBBIOWMCXYSHL-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C=CCNc1nnc(SCc2cccc(C(=O)OC)c2-c2nnn[n-]2)s1 ZINC000823925500 607892184 /nfs/dbraw/zinc/89/21/84/607892184.db2.gz LEGLBACNDYYJTA-UHFFFAOYSA-N -1 3 389.466 2.395 20 30 GEEDHM C=CCNc1nnc(SCc2cccc(C(=O)OC)c2-c2nn[n-]n2)s1 ZINC000823925500 607892185 /nfs/dbraw/zinc/89/21/85/607892185.db2.gz LEGLBACNDYYJTA-UHFFFAOYSA-N -1 3 389.466 2.395 20 30 GEEDHM COc1ccc(CON=Cc2ccc(-n3cncn3)cc2)cc1-c1nnn[n-]1 ZINC000826206821 607972232 /nfs/dbraw/zinc/97/22/32/607972232.db2.gz MPJCZFKCPLXLBY-UHFFFAOYSA-N -1 3 376.380 2.007 20 30 GEEDHM COc1ccc(CON=Cc2ccc(-n3cncn3)cc2)cc1-c1nn[n-]n1 ZINC000826206821 607972233 /nfs/dbraw/zinc/97/22/33/607972233.db2.gz MPJCZFKCPLXLBY-UHFFFAOYSA-N -1 3 376.380 2.007 20 30 GEEDHM C[C@H](OC(=O)c1ccc(CC#N)cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824723566 607978512 /nfs/dbraw/zinc/97/85/12/607978512.db2.gz SCESINWMTQPZCQ-LBPRGKRZSA-N -1 3 376.376 2.117 20 30 GEEDHM C[C@H](OC(=O)c1ccc(CC#N)cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824723566 607978513 /nfs/dbraw/zinc/97/85/13/607978513.db2.gz SCESINWMTQPZCQ-LBPRGKRZSA-N -1 3 376.376 2.117 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823878170 608066176 /nfs/dbraw/zinc/06/61/76/608066176.db2.gz RYKBDQSUHCOLKA-YJBOKZPZSA-N -1 3 384.484 2.053 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823878170 608066177 /nfs/dbraw/zinc/06/61/77/608066177.db2.gz RYKBDQSUHCOLKA-YJBOKZPZSA-N -1 3 384.484 2.053 20 30 GEEDHM C=CCNc1ncc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000823925523 608080720 /nfs/dbraw/zinc/08/07/20/608080720.db2.gz LGRQXFISOVERFC-CQSZACIVSA-N -1 3 397.464 2.135 20 30 GEEDHM C=CCNc1ncc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000823925523 608080721 /nfs/dbraw/zinc/08/07/21/608080721.db2.gz LGRQXFISOVERFC-CQSZACIVSA-N -1 3 397.464 2.135 20 30 GEEDHM COCCOc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826162910 608139379 /nfs/dbraw/zinc/13/93/79/608139379.db2.gz XQYRXATXEFPXDS-CLFYSBASSA-N -1 3 390.403 2.415 20 30 GEEDHM COCCOc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826162910 608139380 /nfs/dbraw/zinc/13/93/80/608139380.db2.gz XQYRXATXEFPXDS-CLFYSBASSA-N -1 3 390.403 2.415 20 30 GEEDHM CCn1c(NC(=O)COc2cccc(-c3nnn[n-]3)c2)nc2cc(C#N)ccc21 ZINC000825793042 608174359 /nfs/dbraw/zinc/17/43/59/608174359.db2.gz KJUQXXRRDXFGBF-UHFFFAOYSA-N -1 3 388.391 2.125 20 30 GEEDHM CCn1c(NC(=O)COc2cccc(-c3nn[n-]n3)c2)nc2cc(C#N)ccc21 ZINC000825793042 608174360 /nfs/dbraw/zinc/17/43/60/608174360.db2.gz KJUQXXRRDXFGBF-UHFFFAOYSA-N -1 3 388.391 2.125 20 30 GEEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cc(-c4nnn[n-]4)cs3)n2)c1 ZINC000826386387 608190188 /nfs/dbraw/zinc/19/01/88/608190188.db2.gz BSFKXGYMEOVTBR-UHFFFAOYSA-N -1 3 376.405 2.120 20 30 GEEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cc(-c4nn[n-]n4)cs3)n2)c1 ZINC000826386387 608190189 /nfs/dbraw/zinc/19/01/89/608190189.db2.gz BSFKXGYMEOVTBR-UHFFFAOYSA-N -1 3 376.405 2.120 20 30 GEEDHM C[C@H]1CC(NC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)=NO1 ZINC000824893346 608207914 /nfs/dbraw/zinc/20/79/14/608207914.db2.gz QASNHICCHXRMMY-LBPRGKRZSA-N -1 3 378.392 2.298 20 30 GEEDHM C[C@H]1CC(NC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)=NO1 ZINC000824893346 608207915 /nfs/dbraw/zinc/20/79/15/608207915.db2.gz QASNHICCHXRMMY-LBPRGKRZSA-N -1 3 378.392 2.298 20 30 GEEDHM CCOc1ccc(N(CCC#N)C(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000825638339 608223060 /nfs/dbraw/zinc/22/30/60/608223060.db2.gz JSZBKAYIKKHLKZ-UHFFFAOYSA-N -1 3 392.423 2.019 20 30 GEEDHM CCOc1ccc(N(CCC#N)C(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000825638339 608223062 /nfs/dbraw/zinc/22/30/62/608223062.db2.gz JSZBKAYIKKHLKZ-UHFFFAOYSA-N -1 3 392.423 2.019 20 30 GEEDHM C#CCCCOc1c(I)cc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000823842220 608265145 /nfs/dbraw/zinc/26/51/45/608265145.db2.gz ZEJZYJWDOMCGFY-UHFFFAOYSA-N -1 3 399.148 2.172 20 30 GEEDHM C#CCCCOc1c(I)cc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823842220 608265146 /nfs/dbraw/zinc/26/51/46/608265146.db2.gz ZEJZYJWDOMCGFY-UHFFFAOYSA-N -1 3 399.148 2.172 20 30 GEEDHM N#Cc1ccc(F)c(CS(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826385648 608339565 /nfs/dbraw/zinc/33/95/65/608339565.db2.gz VQTRHXPBVCKZFC-UHFFFAOYSA-N -1 3 393.787 2.440 20 30 GEEDHM N#Cc1ccc(F)c(CS(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826385648 608339567 /nfs/dbraw/zinc/33/95/67/608339567.db2.gz VQTRHXPBVCKZFC-UHFFFAOYSA-N -1 3 393.787 2.440 20 30 GEEDHM N#Cc1cccc(-c2c[nH]c(CNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)n2)c1 ZINC000826386677 608410078 /nfs/dbraw/zinc/41/00/78/608410078.db2.gz OCQNKSOVBGYDNZ-UHFFFAOYSA-N -1 3 388.351 2.044 20 30 GEEDHM N#Cc1cccc(-c2c[nH]c(CNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)n2)c1 ZINC000826386677 608410079 /nfs/dbraw/zinc/41/00/79/608410079.db2.gz OCQNKSOVBGYDNZ-UHFFFAOYSA-N -1 3 388.351 2.044 20 30 GEEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000824756550 608571372 /nfs/dbraw/zinc/57/13/72/608571372.db2.gz OTDRFYMUKBSWEH-LBPRGKRZSA-N -1 3 389.419 2.418 20 30 GEEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000824756550 608571373 /nfs/dbraw/zinc/57/13/73/608571373.db2.gz OTDRFYMUKBSWEH-LBPRGKRZSA-N -1 3 389.419 2.418 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccccc1C(=O)OC ZINC000823909752 608581992 /nfs/dbraw/zinc/58/19/92/608581992.db2.gz PLLMOCMPKOMOGL-UHFFFAOYSA-N -1 3 391.431 2.411 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccccc1C(=O)OC ZINC000823909752 608581994 /nfs/dbraw/zinc/58/19/94/608581994.db2.gz PLLMOCMPKOMOGL-UHFFFAOYSA-N -1 3 391.431 2.411 20 30 GEEDHM CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000826223872 608879484 /nfs/dbraw/zinc/87/94/84/608879484.db2.gz DGWJTCBKIJOHPD-UTCJRWHESA-N -1 3 390.371 2.445 20 30 GEEDHM CS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000826223872 608879485 /nfs/dbraw/zinc/87/94/85/608879485.db2.gz DGWJTCBKIJOHPD-UTCJRWHESA-N -1 3 390.371 2.445 20 30 GEEDHM CC(C)(C)Nc1ccc(C(N)=NOCc2ccc(F)cc2-c2nnn[n-]2)nc1 ZINC000824093373 609219048 /nfs/dbraw/zinc/21/90/48/609219048.db2.gz GKLGFIIZSGVLPE-UHFFFAOYSA-N -1 3 384.419 2.448 20 30 GEEDHM CC(C)(C)Nc1ccc(C(N)=NOCc2ccc(F)cc2-c2nn[n-]n2)nc1 ZINC000824093373 609219050 /nfs/dbraw/zinc/21/90/50/609219050.db2.gz GKLGFIIZSGVLPE-UHFFFAOYSA-N -1 3 384.419 2.448 20 30 GEEDHM CCOc1ccc(N(CCC#N)C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825638133 609222581 /nfs/dbraw/zinc/22/25/81/609222581.db2.gz GPSLUWLPKCAAHD-GOSISDBHSA-N -1 3 392.419 2.246 20 30 GEEDHM CCOc1ccc(N(CCC#N)C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825638133 609222583 /nfs/dbraw/zinc/22/25/83/609222583.db2.gz GPSLUWLPKCAAHD-GOSISDBHSA-N -1 3 392.419 2.246 20 30 GEEDHM COc1cc(C#N)ccc1OCCSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000826176718 609307979 /nfs/dbraw/zinc/30/79/79/609307979.db2.gz ALHINPQVLSAIQO-UHFFFAOYSA-N -1 3 383.437 2.325 20 30 GEEDHM COc1cc(C#N)ccc1OCCSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000826176718 609307980 /nfs/dbraw/zinc/30/79/80/609307980.db2.gz ALHINPQVLSAIQO-UHFFFAOYSA-N -1 3 383.437 2.325 20 30 GEEDHM C=C(C)CN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823874302 609349506 /nfs/dbraw/zinc/34/95/06/609349506.db2.gz VDRHYARNINIJKW-UHFFFAOYSA-N -1 3 393.407 2.027 20 30 GEEDHM C=CCN(CC(=O)OCC)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000823904109 609358402 /nfs/dbraw/zinc/35/84/02/609358402.db2.gz UZPOHKAZAKKHAF-UHFFFAOYSA-N -1 3 380.246 2.180 20 30 GEEDHM C=CCN(CC(=O)OCC)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000823904109 609358404 /nfs/dbraw/zinc/35/84/04/609358404.db2.gz UZPOHKAZAKKHAF-UHFFFAOYSA-N -1 3 380.246 2.180 20 30 GEEDHM COc1cc(C#N)ccc1O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826176799 609427862 /nfs/dbraw/zinc/42/78/62/609427862.db2.gz DUKVAVDKZXVAMN-KRWDZBQOSA-N -1 3 390.403 2.321 20 30 GEEDHM COc1cc(C#N)ccc1O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826176799 609427863 /nfs/dbraw/zinc/42/78/63/609427863.db2.gz DUKVAVDKZXVAMN-KRWDZBQOSA-N -1 3 390.403 2.321 20 30 GEEDHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCC(CC#N)CC1 ZINC000824051611 609428273 /nfs/dbraw/zinc/42/82/73/609428273.db2.gz AJDITCWQXAPXPJ-LLVKDONJSA-N -1 3 385.497 2.370 20 30 GEEDHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCC(CC#N)CC1 ZINC000824051611 609428275 /nfs/dbraw/zinc/42/82/75/609428275.db2.gz AJDITCWQXAPXPJ-LLVKDONJSA-N -1 3 385.497 2.370 20 30 GEEDHM N#Cc1ccc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000826384892 609461211 /nfs/dbraw/zinc/46/12/11/609461211.db2.gz NUUJZZYVWDKYMP-QGZVFWFLSA-N -1 3 388.387 2.091 20 30 GEEDHM N#Cc1ccc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000826384892 609461214 /nfs/dbraw/zinc/46/12/14/609461214.db2.gz NUUJZZYVWDKYMP-QGZVFWFLSA-N -1 3 388.387 2.091 20 30 GEEDHM O=[N+]([O-])c1cc(F)cc2c1OCCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826498050 609469930 /nfs/dbraw/zinc/46/99/30/609469930.db2.gz FQTCEGFQYICOJT-UHFFFAOYSA-N -1 3 383.343 2.190 20 30 GEEDHM O=[N+]([O-])c1cc(F)cc2c1OCCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826498050 609469932 /nfs/dbraw/zinc/46/99/32/609469932.db2.gz FQTCEGFQYICOJT-UHFFFAOYSA-N -1 3 383.343 2.190 20 30 GEEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C#N)cc1OC ZINC000826161926 609482349 /nfs/dbraw/zinc/48/23/49/609482349.db2.gz FVAYYRKIXDPJGR-UHFFFAOYSA-N -1 3 380.408 2.384 20 30 GEEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C#N)cc1OC ZINC000826161926 609482351 /nfs/dbraw/zinc/48/23/51/609482351.db2.gz FVAYYRKIXDPJGR-UHFFFAOYSA-N -1 3 380.408 2.384 20 30 GEEDHM C[C@@H](C#N)Oc1ccccc1N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824035550 609512101 /nfs/dbraw/zinc/51/21/01/609512101.db2.gz ZSNUCIKWKYHZQZ-SUMWQHHRSA-N -1 3 389.419 2.375 20 30 GEEDHM C[C@@H](C#N)Oc1ccccc1N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824035550 609512104 /nfs/dbraw/zinc/51/21/04/609512104.db2.gz ZSNUCIKWKYHZQZ-SUMWQHHRSA-N -1 3 389.419 2.375 20 30 GEEDHM C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000823845099 609541708 /nfs/dbraw/zinc/54/17/08/609541708.db2.gz ODFGGVQWPKCJHP-UHFFFAOYSA-N -1 3 379.873 2.477 20 30 GEEDHM C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000823845099 609541710 /nfs/dbraw/zinc/54/17/10/609541710.db2.gz ODFGGVQWPKCJHP-UHFFFAOYSA-N -1 3 379.873 2.477 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000826185394 609543489 /nfs/dbraw/zinc/54/34/89/609543489.db2.gz JDBDWORZBDUBMA-SFHVURJKSA-N -1 3 386.412 2.075 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000826185394 609543492 /nfs/dbraw/zinc/54/34/92/609543492.db2.gz JDBDWORZBDUBMA-SFHVURJKSA-N -1 3 386.412 2.075 20 30 GEEDHM C#CCOc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000823861472 609544443 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GEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374728960 532516129 /nfs/dbraw/zinc/51/61/29/532516129.db2.gz HNPYZEGQCLGGJS-MLGOLLRUSA-N -1 3 384.885 2.058 20 30 GEEDHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594862639 532537542 /nfs/dbraw/zinc/53/75/42/532537542.db2.gz BLJIKAYVRAHUII-ZDUSSCGKSA-N -1 3 382.335 2.147 20 30 GEEDHM N#CC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCOCC1 ZINC000522345285 532524162 /nfs/dbraw/zinc/52/41/62/532524162.db2.gz SSGYFJGTAMIPRK-UHFFFAOYSA-N -1 3 376.210 2.093 20 30 GEEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000283298884 532530199 /nfs/dbraw/zinc/53/01/99/532530199.db2.gz VQSZWLICNDEWAE-XJKSGUPXSA-N -1 3 384.885 2.058 20 30 GEEDHM C=C(C)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](CC)C(F)F)cc1 ZINC000655442998 532590418 /nfs/dbraw/zinc/59/04/18/532590418.db2.gz JRFWMHVUFWHCKV-CQSZACIVSA-N -1 3 396.481 2.205 20 30 GEEDHM C=CCCOCCNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472438312 532573595 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COc1ccc(NC(=S)NN=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000737104903 599127120 /nfs/dbraw/zinc/12/71/20/599127120.db2.gz UTSHXUMWKWCHBD-UHFFFAOYSA-N -1 3 383.437 2.204 20 30 GEEDHM COc1ccc(NC(=S)NN=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000737104903 599127124 /nfs/dbraw/zinc/12/71/24/599127124.db2.gz UTSHXUMWKWCHBD-UHFFFAOYSA-N -1 3 383.437 2.204 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000737033308 599157052 /nfs/dbraw/zinc/15/70/52/599157052.db2.gz WXXAGUKHEDXDLW-UHFFFAOYSA-N -1 3 375.348 2.376 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000737033308 599157056 /nfs/dbraw/zinc/15/70/56/599157056.db2.gz WXXAGUKHEDXDLW-UHFFFAOYSA-N -1 3 375.348 2.376 20 30 GEEDHM N#Cc1ccc(CSCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822825764 599167570 /nfs/dbraw/zinc/16/75/70/599167570.db2.gz OHLHNRNIWXAGDA-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM N#Cc1ccc(CSCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822825764 599167574 /nfs/dbraw/zinc/16/75/74/599167574.db2.gz OHLHNRNIWXAGDA-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM N#Cc1cn(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c2ccccc2c1=O ZINC000737728757 599167855 /nfs/dbraw/zinc/16/78/55/599167855.db2.gz VFQPMXLGRJEYJE-UHFFFAOYSA-N -1 3 396.370 2.152 20 30 GEEDHM N#Cc1cn(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c2ccccc2c1=O ZINC000737728757 599167856 /nfs/dbraw/zinc/16/78/56/599167856.db2.gz VFQPMXLGRJEYJE-UHFFFAOYSA-N -1 3 396.370 2.152 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822829873 599177029 /nfs/dbraw/zinc/17/70/29/599177029.db2.gz NCURTOWMTKPLIA-GOSISDBHSA-N -1 3 391.410 2.163 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822829873 599177030 /nfs/dbraw/zinc/17/70/30/599177030.db2.gz NCURTOWMTKPLIA-GOSISDBHSA-N -1 3 391.410 2.163 20 30 GEEDHM N#Cc1cc(NC(=O)CCN2C(=O)CCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737704410 599192017 /nfs/dbraw/zinc/19/20/17/599192017.db2.gz HZLUQJCUKOYZON-UHFFFAOYSA-N -1 3 387.403 2.046 20 30 GEEDHM N#Cc1cc(NC(=O)CCN2C(=O)CCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737704410 599192020 /nfs/dbraw/zinc/19/20/20/599192020.db2.gz HZLUQJCUKOYZON-UHFFFAOYSA-N -1 3 387.403 2.046 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735634191 599193105 /nfs/dbraw/zinc/19/31/05/599193105.db2.gz VRWIDGOZWVZCLR-LSDHHAIUSA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735634191 599193108 /nfs/dbraw/zinc/19/31/08/599193108.db2.gz VRWIDGOZWVZCLR-LSDHHAIUSA-N -1 3 397.439 2.370 20 30 GEEDHM N#Cc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000737716506 599195307 /nfs/dbraw/zinc/19/53/07/599195307.db2.gz RHSCDGXWCGJTQU-UHFFFAOYSA-N -1 3 376.376 2.081 20 30 GEEDHM N#Cc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1-c1nn[n-]n1 ZINC000737716506 599195311 /nfs/dbraw/zinc/19/53/11/599195311.db2.gz RHSCDGXWCGJTQU-UHFFFAOYSA-N -1 3 376.376 2.081 20 30 GEEDHM N#Cc1cc(NC(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)ccc1-c1nnn[n-]1 ZINC000737706779 599196311 /nfs/dbraw/zinc/19/63/11/599196311.db2.gz ZIZMUXVNQLUCHH-OAHLLOKOSA-N -1 3 395.329 2.148 20 30 GEEDHM N#Cc1cc(NC(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)ccc1-c1nn[n-]n1 ZINC000737706779 599196313 /nfs/dbraw/zinc/19/63/13/599196313.db2.gz ZIZMUXVNQLUCHH-OAHLLOKOSA-N -1 3 395.329 2.148 20 30 GEEDHM N#Cc1ccc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1-c1nnn[n-]1 ZINC000737716290 599200357 /nfs/dbraw/zinc/20/03/57/599200357.db2.gz ORPVKUHTVUMKKX-UHFFFAOYSA-N -1 3 388.366 2.244 20 30 GEEDHM N#Cc1ccc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1-c1nn[n-]n1 ZINC000737716290 599200359 /nfs/dbraw/zinc/20/03/59/599200359.db2.gz ORPVKUHTVUMKKX-UHFFFAOYSA-N -1 3 388.366 2.244 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819709330 599286005 /nfs/dbraw/zinc/28/60/05/599286005.db2.gz DAYPDNOUNFJHOD-UHFFFAOYSA-N -1 3 384.346 2.479 20 30 GEEDHM C#CCOc1ccc(F)cc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819709330 599286007 /nfs/dbraw/zinc/28/60/07/599286007.db2.gz DAYPDNOUNFJHOD-UHFFFAOYSA-N -1 3 384.346 2.479 20 30 GEEDHM N#Cc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000737717183 598312065 /nfs/dbraw/zinc/31/20/65/598312065.db2.gz AQWVSCFSMICSQM-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC000737717183 598312066 /nfs/dbraw/zinc/31/20/66/598312066.db2.gz AQWVSCFSMICSQM-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM Cc1cc(NC2CCN(CC#N)CC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737273431 598426388 /nfs/dbraw/zinc/42/63/88/598426388.db2.gz CTYGPJMFHOBQTR-UHFFFAOYSA-N -1 3 387.451 2.376 20 30 GEEDHM Cc1cc(NC2CCN(CC#N)CC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737273431 598426389 /nfs/dbraw/zinc/42/63/89/598426389.db2.gz CTYGPJMFHOBQTR-UHFFFAOYSA-N -1 3 387.451 2.376 20 30 GEEDHM N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737710838 598444910 /nfs/dbraw/zinc/44/49/10/598444910.db2.gz CJMTYPUUGJRCSP-UHFFFAOYSA-N -1 3 387.325 2.338 20 30 GEEDHM N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737710838 598444912 /nfs/dbraw/zinc/44/49/12/598444912.db2.gz CJMTYPUUGJRCSP-UHFFFAOYSA-N -1 3 387.325 2.338 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nc(C(C)(C)C)ccc1=O ZINC000735426387 598455799 /nfs/dbraw/zinc/45/57/99/598455799.db2.gz QIIOSEUJXWQBPT-UHFFFAOYSA-N -1 3 379.468 2.367 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nc(C(C)(C)C)ccc1=O ZINC000735426387 598455801 /nfs/dbraw/zinc/45/58/01/598455801.db2.gz QIIOSEUJXWQBPT-UHFFFAOYSA-N -1 3 379.468 2.367 20 30 GEEDHM Cc1cc(C)c(C#N)c(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000737240249 598458642 /nfs/dbraw/zinc/45/86/42/598458642.db2.gz IURHPSLMFOZOHS-UHFFFAOYSA-N -1 3 375.440 2.226 20 30 GEEDHM Cc1cc(C)c(C#N)c(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000737240249 598458643 /nfs/dbraw/zinc/45/86/43/598458643.db2.gz IURHPSLMFOZOHS-UHFFFAOYSA-N -1 3 375.440 2.226 20 30 GEEDHM COC[C@@](C)(C#N)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000821680377 607357372 /nfs/dbraw/zinc/35/73/72/607357372.db2.gz HKLFHKSJNVMGBD-HXUWFJFHSA-N -1 3 392.419 2.104 20 30 GEEDHM COC[C@@](C)(C#N)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000821680377 607357374 /nfs/dbraw/zinc/35/73/74/607357374.db2.gz HKLFHKSJNVMGBD-HXUWFJFHSA-N -1 3 392.419 2.104 20 30 GEEDHM N#Cc1cc(F)c(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(F)c1 ZINC000737705303 598459238 /nfs/dbraw/zinc/45/92/38/598459238.db2.gz PJEPQIVRKOQNOX-UHFFFAOYSA-N -1 3 382.378 2.492 20 30 GEEDHM N#Cc1cc(F)c(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(F)c1 ZINC000737705303 598459239 /nfs/dbraw/zinc/45/92/39/598459239.db2.gz PJEPQIVRKOQNOX-UHFFFAOYSA-N -1 3 382.378 2.492 20 30 GEEDHM C=C(Br)CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735399123 598479510 /nfs/dbraw/zinc/47/95/10/598479510.db2.gz PLAGFFZFRDINAP-UHFFFAOYSA-N -1 3 377.246 2.449 20 30 GEEDHM C=C(Br)CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735399123 598479509 /nfs/dbraw/zinc/47/95/09/598479509.db2.gz PLAGFFZFRDINAP-UHFFFAOYSA-N -1 3 377.246 2.449 20 30 GEEDHM COC[C@@](C)(C#N)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000821680788 607358395 /nfs/dbraw/zinc/35/83/95/607358395.db2.gz UWKQKEXEGXXJCW-HXUWFJFHSA-N -1 3 392.419 2.104 20 30 GEEDHM COC[C@@](C)(C#N)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000821680788 607358397 /nfs/dbraw/zinc/35/83/97/607358397.db2.gz UWKQKEXEGXXJCW-HXUWFJFHSA-N -1 3 392.419 2.104 20 30 GEEDHM N#Cc1cccnc1NCCOC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737728177 598513034 /nfs/dbraw/zinc/51/30/34/598513034.db2.gz YWGSCOVLNPKKOF-UHFFFAOYSA-N -1 3 395.448 2.022 20 30 GEEDHM N#Cc1cccnc1NCCOC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737728177 598513035 /nfs/dbraw/zinc/51/30/35/598513035.db2.gz YWGSCOVLNPKKOF-UHFFFAOYSA-N -1 3 395.448 2.022 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccn(-c2cccc(F)c2)n1 ZINC000737705365 598569714 /nfs/dbraw/zinc/56/97/14/598569714.db2.gz OHIYKCLRWQNUGN-UHFFFAOYSA-N -1 3 393.411 2.333 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccn(-c2cccc(F)c2)n1 ZINC000737705365 598569716 /nfs/dbraw/zinc/56/97/16/598569716.db2.gz OHIYKCLRWQNUGN-UHFFFAOYSA-N -1 3 393.411 2.333 20 30 GEEDHM COc1cc(C#N)ccc1OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737034246 598575921 /nfs/dbraw/zinc/57/59/21/598575921.db2.gz HPHVBTFKRODURO-INIZCTEOSA-N -1 3 390.403 2.321 20 30 GEEDHM N#Cc1cc(F)ccc1CN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737704632 598680591 /nfs/dbraw/zinc/68/05/91/598680591.db2.gz KMHNGTSIKBZJMM-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM N#Cc1cc(F)ccc1CN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737704632 598680593 /nfs/dbraw/zinc/68/05/93/598680593.db2.gz KMHNGTSIKBZJMM-UHFFFAOYSA-N -1 3 381.390 2.339 20 30 GEEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735503144 598691118 /nfs/dbraw/zinc/69/11/18/598691118.db2.gz HEWZDPDKIIIKGH-FQEVSTJZSA-N -1 3 376.420 2.277 20 30 GEEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735503144 598691120 /nfs/dbraw/zinc/69/11/20/598691120.db2.gz HEWZDPDKIIIKGH-FQEVSTJZSA-N -1 3 376.420 2.277 20 30 GEEDHM COCCN(CCC#N)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736994094 598701689 /nfs/dbraw/zinc/70/16/89/598701689.db2.gz DIWVBSTYOZIVAN-UHFFFAOYSA-N -1 3 396.407 2.041 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000735420129 598729979 /nfs/dbraw/zinc/72/99/79/598729979.db2.gz MQHQPZRKCMHTFF-UHFFFAOYSA-N -1 3 395.398 2.325 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000735420129 598729981 /nfs/dbraw/zinc/72/99/81/598729981.db2.gz MQHQPZRKCMHTFF-UHFFFAOYSA-N -1 3 395.398 2.325 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N(CCC#N)CC1CC1 ZINC000737031746 598752988 /nfs/dbraw/zinc/75/29/88/598752988.db2.gz CUWKJKGCHCFDRI-UHFFFAOYSA-N -1 3 384.440 2.187 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N(CCC#N)CC1CC1 ZINC000737031746 598752989 /nfs/dbraw/zinc/75/29/89/598752989.db2.gz CUWKJKGCHCFDRI-UHFFFAOYSA-N -1 3 384.440 2.187 20 30 GEEDHM N#Cc1ccc(CCC(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737711403 598806882 /nfs/dbraw/zinc/80/68/82/598806882.db2.gz JFGVCGLCSFXDMI-UHFFFAOYSA-N -1 3 384.403 2.495 20 30 GEEDHM C=CCOCC(=O)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735436974 598818267 /nfs/dbraw/zinc/81/82/67/598818267.db2.gz BLGYDTIVJVGOCR-UHFFFAOYSA-N -1 3 389.466 2.152 20 30 GEEDHM C=CCOCC(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735436974 598818269 /nfs/dbraw/zinc/81/82/69/598818269.db2.gz BLGYDTIVJVGOCR-UHFFFAOYSA-N -1 3 389.466 2.152 20 30 GEEDHM C#CCNC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819701915 599386083 /nfs/dbraw/zinc/38/60/83/599386083.db2.gz PTXWYUCAJGPJPK-LBPRGKRZSA-N -1 3 380.383 2.348 20 30 GEEDHM C#CCNC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819701915 599386084 /nfs/dbraw/zinc/38/60/84/599386084.db2.gz PTXWYUCAJGPJPK-LBPRGKRZSA-N -1 3 380.383 2.348 20 30 GEEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)c1ccc(C#N)cc1 ZINC000824173436 607378647 /nfs/dbraw/zinc/37/86/47/607378647.db2.gz ZDXHWDOKTMUUSD-UHFFFAOYSA-N -1 3 391.387 2.322 20 30 GEEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1OC ZINC000737067969 599460346 /nfs/dbraw/zinc/46/03/46/599460346.db2.gz WQQWFICXEOCMFU-AATRIKPKSA-N -1 3 376.376 2.428 20 30 GEEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1OC ZINC000737067969 599460347 /nfs/dbraw/zinc/46/03/47/599460347.db2.gz WQQWFICXEOCMFU-AATRIKPKSA-N -1 3 376.376 2.428 20 30 GEEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2c(c1)CCC(=O)N2 ZINC000738302751 599465130 /nfs/dbraw/zinc/46/51/30/599465130.db2.gz NHVBMUFLKKTEDY-XQRVVYSFSA-N -1 3 385.387 2.295 20 30 GEEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2c(c1)CCC(=O)N2 ZINC000738302751 599465131 /nfs/dbraw/zinc/46/51/31/599465131.db2.gz NHVBMUFLKKTEDY-XQRVVYSFSA-N -1 3 385.387 2.295 20 30 GEEDHM N#Cc1cc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c2ccccc2n1 ZINC000822823207 599491671 /nfs/dbraw/zinc/49/16/71/599491671.db2.gz MUATVOAWRDNKOB-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c2ccccc2n1 ZINC000822823207 599491673 /nfs/dbraw/zinc/49/16/73/599491673.db2.gz MUATVOAWRDNKOB-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM C[C@@H](COC(=O)c1cccc(C#N)c1)COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736037829 599496614 /nfs/dbraw/zinc/49/66/14/599496614.db2.gz OTKFTWBAJNXFJK-ZDUSSCGKSA-N -1 3 391.387 2.388 20 30 GEEDHM C[C@@H](COC(=O)c1cccc(C#N)c1)COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736037829 599496615 /nfs/dbraw/zinc/49/66/15/599496615.db2.gz OTKFTWBAJNXFJK-ZDUSSCGKSA-N -1 3 391.387 2.388 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)N[C@@](CC)(C(C)C)C1=O ZINC000735425784 599577260 /nfs/dbraw/zinc/57/72/60/599577260.db2.gz GWQGZVQBPGABMP-FQEVSTJZSA-N -1 3 397.483 2.169 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)N[C@@](CC)(C(C)C)C1=O ZINC000735425784 599577263 /nfs/dbraw/zinc/57/72/63/599577263.db2.gz GWQGZVQBPGABMP-FQEVSTJZSA-N -1 3 397.483 2.169 20 30 GEEDHM C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819759266 599617084 /nfs/dbraw/zinc/61/70/84/599617084.db2.gz RGCPXPJGMBJANE-ZDUSSCGKSA-N -1 3 392.419 2.247 20 30 GEEDHM C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819759266 599617086 /nfs/dbraw/zinc/61/70/86/599617086.db2.gz RGCPXPJGMBJANE-ZDUSSCGKSA-N -1 3 392.419 2.247 20 30 GEEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(CC#N)C2CC2)c1-c1nnn[n-]1 ZINC000822015103 599690709 /nfs/dbraw/zinc/69/07/09/599690709.db2.gz CIKKKQZBYIVXLK-UHFFFAOYSA-N -1 3 390.451 2.201 20 30 GEEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(CC#N)C2CC2)c1-c1nn[n-]n1 ZINC000822015103 599690710 /nfs/dbraw/zinc/69/07/10/599690710.db2.gz CIKKKQZBYIVXLK-UHFFFAOYSA-N -1 3 390.451 2.201 20 30 GEEDHM N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826381394 607398226 /nfs/dbraw/zinc/39/82/26/607398226.db2.gz KARSLSYHCFRRTC-OAHLLOKOSA-N -1 3 393.382 2.106 20 30 GEEDHM N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826381394 607398227 /nfs/dbraw/zinc/39/82/27/607398227.db2.gz KARSLSYHCFRRTC-OAHLLOKOSA-N -1 3 393.382 2.106 20 30 GEEDHM C=CCN1CCC(NC(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)CC1 ZINC000736106651 600024416 /nfs/dbraw/zinc/02/44/16/600024416.db2.gz GMSDHLRONLIDOE-INIZCTEOSA-N -1 3 386.496 2.255 20 30 GEEDHM N#Cc1ccccc1NC(=O)CCCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822842734 607453544 /nfs/dbraw/zinc/45/35/44/607453544.db2.gz WDNJUZPDVUWXGE-UHFFFAOYSA-N -1 3 389.419 2.164 20 30 GEEDHM N#Cc1ccccc1NC(=O)CCCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822842734 607453545 /nfs/dbraw/zinc/45/35/45/607453545.db2.gz WDNJUZPDVUWXGE-UHFFFAOYSA-N -1 3 389.419 2.164 20 30 GEEDHM Clc1cccc(C#CCN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826353246 607520076 /nfs/dbraw/zinc/52/00/76/607520076.db2.gz HQADJISPVAYAQF-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM Clc1cccc(C#CCN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826353246 607520078 /nfs/dbraw/zinc/52/00/78/607520078.db2.gz HQADJISPVAYAQF-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM N#Cc1ccccc1OCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826387437 607523633 /nfs/dbraw/zinc/52/36/33/607523633.db2.gz VGNJRKVWSRQMMV-UHFFFAOYSA-N -1 3 399.754 2.317 20 30 GEEDHM N#Cc1ccccc1OCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826387437 607523635 /nfs/dbraw/zinc/52/36/35/607523635.db2.gz VGNJRKVWSRQMMV-UHFFFAOYSA-N -1 3 399.754 2.317 20 30 GEEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739605604 602168026 /nfs/dbraw/zinc/16/80/26/602168026.db2.gz BHMZVGOLHVXBHA-GOSISDBHSA-N -1 3 387.484 2.021 20 30 GEEDHM N#CCc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826382494 607577777 /nfs/dbraw/zinc/57/77/77/607577777.db2.gz HEFZRVIPRUZHPM-UHFFFAOYSA-N -1 3 375.797 2.354 20 30 GEEDHM COc1ccc(C#N)cc1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826186606 607618712 /nfs/dbraw/zinc/61/87/12/607618712.db2.gz BPFPGRYPNDJGQS-UHFFFAOYSA-N -1 3 379.380 2.077 20 30 GEEDHM COc1ccc(C#N)cc1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826186606 607618714 /nfs/dbraw/zinc/61/87/14/607618714.db2.gz BPFPGRYPNDJGQS-UHFFFAOYSA-N -1 3 379.380 2.077 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000826245782 607662129 /nfs/dbraw/zinc/66/21/29/607662129.db2.gz ICRKCPJUAGPUTQ-UHFFFAOYSA-N -1 3 391.410 2.148 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000826245782 607662131 /nfs/dbraw/zinc/66/21/31/607662131.db2.gz ICRKCPJUAGPUTQ-UHFFFAOYSA-N -1 3 391.410 2.148 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000826244706 607663228 /nfs/dbraw/zinc/66/32/28/607663228.db2.gz BCSRXSPPGPLABX-UHFFFAOYSA-N -1 3 387.447 2.399 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000826244706 607663230 /nfs/dbraw/zinc/66/32/30/607663230.db2.gz BCSRXSPPGPLABX-UHFFFAOYSA-N -1 3 387.447 2.399 20 30 GEEDHM CCOc1ccnc(N2CCCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1 ZINC000830117056 604682349 /nfs/dbraw/zinc/68/23/49/604682349.db2.gz OHQWIDSOULTRGN-GOSISDBHSA-N -1 3 381.436 2.085 20 30 GEEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000826380277 607733857 /nfs/dbraw/zinc/73/38/57/607733857.db2.gz UCDYEDYFYBJDFI-GFCCVEGCSA-N -1 3 377.286 2.088 20 30 GEEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000826380277 607733858 /nfs/dbraw/zinc/73/38/58/607733858.db2.gz UCDYEDYFYBJDFI-GFCCVEGCSA-N -1 3 377.286 2.088 20 30 GEEDHM CCOC(=O)Nc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000825532325 607760996 /nfs/dbraw/zinc/76/09/96/607760996.db2.gz SCSROTMMYVESET-UHFFFAOYSA-N -1 3 391.391 2.488 20 30 GEEDHM CCOC(=O)Nc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000825532325 607760997 /nfs/dbraw/zinc/76/09/97/607760997.db2.gz SCSROTMMYVESET-UHFFFAOYSA-N -1 3 391.391 2.488 20 30 GEEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000822801117 606073113 /nfs/dbraw/zinc/07/31/13/606073113.db2.gz DVQZYVQRERQHJE-LJQANCHMSA-N -1 3 377.427 2.388 20 30 GEEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000822801117 606073118 /nfs/dbraw/zinc/07/31/18/606073118.db2.gz DVQZYVQRERQHJE-LJQANCHMSA-N -1 3 377.427 2.388 20 30 GEEDHM C#CCOc1ccc(F)cc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819709270 606249488 /nfs/dbraw/zinc/24/94/88/606249488.db2.gz AGNWTCZGQJKGEY-INIZCTEOSA-N -1 3 392.394 2.235 20 30 GEEDHM C#CCOc1ccc(F)cc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819709270 606249490 /nfs/dbraw/zinc/24/94/90/606249490.db2.gz AGNWTCZGQJKGEY-INIZCTEOSA-N -1 3 392.394 2.235 20 30 GEEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822801191 606300960 /nfs/dbraw/zinc/30/09/60/606300960.db2.gz GJYVERXEJQTWTP-CJNGLKHVSA-N -1 3 375.392 2.476 20 30 GEEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822801191 606300962 /nfs/dbraw/zinc/30/09/62/606300962.db2.gz GJYVERXEJQTWTP-CJNGLKHVSA-N -1 3 375.392 2.476 20 30 GEEDHM COC(=O)[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000821646277 606368054 /nfs/dbraw/zinc/36/80/54/606368054.db2.gz FPARQESZEGMARV-GOSISDBHSA-N -1 3 391.387 2.128 20 30 GEEDHM COC(=O)[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000821646277 606368055 /nfs/dbraw/zinc/36/80/55/606368055.db2.gz FPARQESZEGMARV-GOSISDBHSA-N -1 3 391.387 2.128 20 30 GEEDHM COc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821835590 606369033 /nfs/dbraw/zinc/36/90/33/606369033.db2.gz NLYQTBPLADSTGH-UHFFFAOYSA-N -1 3 389.466 2.266 20 30 GEEDHM CN(C)C(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821578210 606390273 /nfs/dbraw/zinc/39/02/73/606390273.db2.gz SRZDUPBZGVMHHL-VURMDHGXSA-N -1 3 383.433 2.291 20 30 GEEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000822622615 606407527 /nfs/dbraw/zinc/40/75/27/606407527.db2.gz FTUVHVRUJQJUAQ-SNVBAGLBSA-N -1 3 382.334 2.440 20 30 GEEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000822622615 606407529 /nfs/dbraw/zinc/40/75/29/606407529.db2.gz FTUVHVRUJQJUAQ-SNVBAGLBSA-N -1 3 382.334 2.440 20 30 GEEDHM N#Cc1ccc(OC2CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)cc1 ZINC000822833835 606508455 /nfs/dbraw/zinc/50/84/55/606508455.db2.gz WWMQWNMMHQMLKV-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM N#Cc1ccc(OC2CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)cc1 ZINC000822833835 606508456 /nfs/dbraw/zinc/50/84/56/606508456.db2.gz WWMQWNMMHQMLKV-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM N#CCCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCCO2 ZINC000822806482 606550588 /nfs/dbraw/zinc/55/05/88/606550588.db2.gz OCPSOZJUVKZZSV-UHFFFAOYSA-N -1 3 390.403 2.127 20 30 GEEDHM N#CCCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCCO2 ZINC000822806482 606550591 /nfs/dbraw/zinc/55/05/91/606550591.db2.gz OCPSOZJUVKZZSV-UHFFFAOYSA-N -1 3 390.403 2.127 20 30 GEEDHM N#Cc1csc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822846102 606564791 /nfs/dbraw/zinc/56/47/91/606564791.db2.gz OTMBANLUXFRXDU-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM N#Cc1csc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822846102 606564792 /nfs/dbraw/zinc/56/47/92/606564792.db2.gz OTMBANLUXFRXDU-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM N#CCCN(Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)CC(F)(F)F ZINC000822810055 606632107 /nfs/dbraw/zinc/63/21/07/606632107.db2.gz AYCINAAUVNCMGZ-UHFFFAOYSA-N -1 3 376.346 2.466 20 30 GEEDHM N#CCCN(Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)CC(F)(F)F ZINC000822810055 606632109 /nfs/dbraw/zinc/63/21/09/606632109.db2.gz AYCINAAUVNCMGZ-UHFFFAOYSA-N -1 3 376.346 2.466 20 30 GEEDHM C=C(C)CN(CC)S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000819722388 606638544 /nfs/dbraw/zinc/63/85/44/606638544.db2.gz IDQQZHKYMKWPAO-UHFFFAOYSA-N -1 3 386.275 2.216 20 30 GEEDHM C=C(C)CN(CC)S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000819722388 606638545 /nfs/dbraw/zinc/63/85/45/606638545.db2.gz IDQQZHKYMKWPAO-UHFFFAOYSA-N -1 3 386.275 2.216 20 30 GEEDHM COCCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC000821688394 606682807 /nfs/dbraw/zinc/68/28/07/606682807.db2.gz JMHUDWKQRIGUIY-UHFFFAOYSA-N -1 3 384.346 2.310 20 30 GEEDHM COCCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC000821688394 606682808 /nfs/dbraw/zinc/68/28/08/606682808.db2.gz JMHUDWKQRIGUIY-UHFFFAOYSA-N -1 3 384.346 2.310 20 30 GEEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820893174 606890559 /nfs/dbraw/zinc/89/05/59/606890559.db2.gz LSQIOFASSSVYDC-UHFFFAOYSA-N -1 3 398.439 2.485 20 30 GEEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820893174 606890560 /nfs/dbraw/zinc/89/05/60/606890560.db2.gz LSQIOFASSSVYDC-UHFFFAOYSA-N -1 3 398.439 2.485 20 30 GEEDHM CON=Cc1ccc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821697811 606942191 /nfs/dbraw/zinc/94/21/91/606942191.db2.gz RYMXQMRRQMNILS-UHFFFAOYSA-N -1 3 381.392 2.473 20 30 GEEDHM CON=Cc1ccc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821697811 606942193 /nfs/dbraw/zinc/94/21/93/606942193.db2.gz RYMXQMRRQMNILS-UHFFFAOYSA-N -1 3 381.392 2.473 20 30 GEEDHM N#Cc1cccc(OCC(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822837682 606947006 /nfs/dbraw/zinc/94/70/06/606947006.db2.gz RPQPIPVQLVHEQY-UHFFFAOYSA-N -1 3 379.376 2.129 20 30 GEEDHM N#Cc1cccc(OCC(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822837682 606947008 /nfs/dbraw/zinc/94/70/08/606947008.db2.gz RPQPIPVQLVHEQY-UHFFFAOYSA-N -1 3 379.376 2.129 20 30 GEEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000822801605 606975526 /nfs/dbraw/zinc/97/55/26/606975526.db2.gz KSCCRAQDRZIQMH-IBGZPJMESA-N -1 3 377.427 2.388 20 30 GEEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000822801605 606975527 /nfs/dbraw/zinc/97/55/27/606975527.db2.gz KSCCRAQDRZIQMH-IBGZPJMESA-N -1 3 377.427 2.388 20 30 GEEDHM C(=NOCCCOc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccccc2)n1 ZINC000819718624 606981753 /nfs/dbraw/zinc/98/17/53/606981753.db2.gz LMRYAFAJLGEHAC-UHFFFAOYSA-N -1 3 390.407 2.267 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000822222523 607050883 /nfs/dbraw/zinc/05/08/83/607050883.db2.gz KJBCJEISVSYFCH-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000822222523 607050884 /nfs/dbraw/zinc/05/08/84/607050884.db2.gz KJBCJEISVSYFCH-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820313275 607183059 /nfs/dbraw/zinc/18/30/59/607183059.db2.gz CDCGCILBSYACKX-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820313275 607183060 /nfs/dbraw/zinc/18/30/60/607183060.db2.gz CDCGCILBSYACKX-JTQLQIEISA-N -1 3 395.810 2.208 20 30 GEEDHM N#CC1(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CCCCC1 ZINC000822800848 607188234 /nfs/dbraw/zinc/18/82/34/607188234.db2.gz ACDKUDVZUPQVEB-UHFFFAOYSA-N -1 3 376.424 2.347 20 30 GEEDHM N#CC1(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CCCCC1 ZINC000822800848 607188235 /nfs/dbraw/zinc/18/82/35/607188235.db2.gz ACDKUDVZUPQVEB-UHFFFAOYSA-N -1 3 376.424 2.347 20 30 GEEDHM N#Cc1ccc(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822829768 607195948 /nfs/dbraw/zinc/19/59/48/607195948.db2.gz IADCAYGWURXWBZ-UHFFFAOYSA-N -1 3 383.803 2.020 20 30 GEEDHM N#Cc1ccc(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822829768 607195949 /nfs/dbraw/zinc/19/59/49/607195949.db2.gz IADCAYGWURXWBZ-UHFFFAOYSA-N -1 3 383.803 2.020 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000826243086 607874142 /nfs/dbraw/zinc/87/41/42/607874142.db2.gz SZUMVZBDUFMYRJ-KRWDZBQOSA-N -1 3 379.420 2.368 20 30 GEEDHM C=C[C@@H](CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC000823883516 607977910 /nfs/dbraw/zinc/97/79/10/607977910.db2.gz SBWKHQPCTHWZBD-INIZCTEOSA-N -1 3 389.463 2.270 20 30 GEEDHM C=C[C@@H](CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC000823883516 607977911 /nfs/dbraw/zinc/97/79/11/607977911.db2.gz SBWKHQPCTHWZBD-INIZCTEOSA-N -1 3 389.463 2.270 20 30 GEEDHM COc1ccc(CSCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000826207156 607983532 /nfs/dbraw/zinc/98/35/32/607983532.db2.gz CGZDUHCQBQUSCV-UHFFFAOYSA-N -1 3 394.460 2.297 20 30 GEEDHM COc1ccc(CSCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000826207156 607983533 /nfs/dbraw/zinc/98/35/33/607983533.db2.gz CGZDUHCQBQUSCV-UHFFFAOYSA-N -1 3 394.460 2.297 20 30 GEEDHM C=CCn1c(C)nn(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1=S ZINC000823937419 608054467 /nfs/dbraw/zinc/05/44/67/608054467.db2.gz XAGSRCMVBHCDQN-MRXNPFEDSA-N -1 3 398.496 2.120 20 30 GEEDHM C=CCn1c(C)nn(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1=S ZINC000823937419 608054468 /nfs/dbraw/zinc/05/44/68/608054468.db2.gz XAGSRCMVBHCDQN-MRXNPFEDSA-N -1 3 398.496 2.120 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CCO2)c1 ZINC000826386703 608073334 /nfs/dbraw/zinc/07/33/34/608073334.db2.gz PFLHZYWABGDFAA-KRWDZBQOSA-N -1 3 393.382 2.483 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CCO2)c1 ZINC000826386703 608073335 /nfs/dbraw/zinc/07/33/35/608073335.db2.gz PFLHZYWABGDFAA-KRWDZBQOSA-N -1 3 393.382 2.483 20 30 GEEDHM N#Cc1ccccc1C=CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826387060 608089689 /nfs/dbraw/zinc/08/96/89/608089689.db2.gz DXGPVCJAKPQMEG-SGQUHAKNSA-N -1 3 386.415 2.352 20 30 GEEDHM N#Cc1ccccc1C=CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826387060 608089690 /nfs/dbraw/zinc/08/96/90/608089690.db2.gz DXGPVCJAKPQMEG-SGQUHAKNSA-N -1 3 386.415 2.352 20 30 GEEDHM CC(=NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC000823962884 608094573 /nfs/dbraw/zinc/09/45/73/608094573.db2.gz QLNDTYOAWLJTRC-UHFFFAOYSA-N -1 3 398.456 2.365 20 30 GEEDHM C=CCCC[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823894919 608332759 /nfs/dbraw/zinc/33/27/59/608332759.db2.gz ZPEHWNOFXYWVNO-ZDUSSCGKSA-N -1 3 378.454 2.070 20 30 GEEDHM C=CCCC[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823894919 608332761 /nfs/dbraw/zinc/33/27/61/608332761.db2.gz ZPEHWNOFXYWVNO-ZDUSSCGKSA-N -1 3 378.454 2.070 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(NC(=O)CC#N)cc1 ZINC000826172637 608345982 /nfs/dbraw/zinc/34/59/82/608345982.db2.gz PRCIRDFBRIREBA-UHFFFAOYSA-N -1 3 392.375 2.084 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(NC(=O)CC#N)cc1 ZINC000826172637 608345984 /nfs/dbraw/zinc/34/59/84/608345984.db2.gz PRCIRDFBRIREBA-UHFFFAOYSA-N -1 3 392.375 2.084 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000823909467 608355365 /nfs/dbraw/zinc/35/53/65/608355365.db2.gz FOOGXBIZTWKUOG-KRWDZBQOSA-N -1 3 398.467 2.250 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000823909467 608355366 /nfs/dbraw/zinc/35/53/66/608355366.db2.gz FOOGXBIZTWKUOG-KRWDZBQOSA-N -1 3 398.467 2.250 20 30 GEEDHM C=CC[C@H](CO)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000823888264 608476963 /nfs/dbraw/zinc/47/69/63/608476963.db2.gz ILUPAGWQAMLJNR-ZDUSSCGKSA-N -1 3 395.423 2.360 20 30 GEEDHM C=CC[C@H](CO)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000823888264 608476964 /nfs/dbraw/zinc/47/69/64/608476964.db2.gz ILUPAGWQAMLJNR-ZDUSSCGKSA-N -1 3 395.423 2.360 20 30 GEEDHM C=CCOc1cccc(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000823931835 608507664 /nfs/dbraw/zinc/50/76/64/608507664.db2.gz HASZRCUZTYLNNK-UHFFFAOYSA-N -1 3 377.452 2.149 20 30 GEEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc([S@](C)=O)cc1 ZINC000823958508 608535315 /nfs/dbraw/zinc/53/53/15/608535315.db2.gz PHNJZVGIAWOLDF-VWLOTQADSA-N -1 3 375.845 2.489 20 30 GEEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc([S@](C)=O)cc1 ZINC000823958508 608535317 /nfs/dbraw/zinc/53/53/17/608535317.db2.gz PHNJZVGIAWOLDF-VWLOTQADSA-N -1 3 375.845 2.489 20 30 GEEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(-n2cncn2)cc1 ZINC000823953547 608539695 /nfs/dbraw/zinc/53/96/95/608539695.db2.gz FXGLGDIBXGTRFI-UHFFFAOYSA-N -1 3 380.803 2.332 20 30 GEEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(-n2cncn2)cc1 ZINC000823953547 608539696 /nfs/dbraw/zinc/53/96/96/608539696.db2.gz FXGLGDIBXGTRFI-UHFFFAOYSA-N -1 3 380.803 2.332 20 30 GEEDHM O=C1C(=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)CCN1Cc1ccccc1 ZINC000826476941 608541643 /nfs/dbraw/zinc/54/16/43/608541643.db2.gz SEVGATLSXNTOME-UHFFFAOYSA-N -1 3 382.815 2.116 20 30 GEEDHM O=C1C(=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)CCN1Cc1ccccc1 ZINC000826476941 608541645 /nfs/dbraw/zinc/54/16/45/608541645.db2.gz SEVGATLSXNTOME-UHFFFAOYSA-N -1 3 382.815 2.116 20 30 GEEDHM N#Cc1csc(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826387682 608606091 /nfs/dbraw/zinc/60/60/91/608606091.db2.gz KNHKKGNKRTXRDR-UHFFFAOYSA-N -1 3 395.448 2.315 20 30 GEEDHM N#Cc1csc(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826387682 608606093 /nfs/dbraw/zinc/60/60/93/608606093.db2.gz KNHKKGNKRTXRDR-UHFFFAOYSA-N -1 3 395.448 2.315 20 30 GEEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826379836 609141582 /nfs/dbraw/zinc/14/15/82/609141582.db2.gz DPZKIHKPONAJTR-IBGZPJMESA-N -1 3 377.427 2.388 20 30 GEEDHM CC1(C#N)CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000824778423 609173711 /nfs/dbraw/zinc/17/37/11/609173711.db2.gz OMRJBROJTFIPLX-UHFFFAOYSA-N -1 3 381.440 2.128 20 30 GEEDHM CC1(C#N)CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000824778423 609173714 /nfs/dbraw/zinc/17/37/14/609173714.db2.gz OMRJBROJTFIPLX-UHFFFAOYSA-N -1 3 381.440 2.128 20 30 GEEDHM CC(C)Oc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000824324022 609251814 /nfs/dbraw/zinc/25/18/14/609251814.db2.gz FRWOBFCTQDNKFE-KRWDZBQOSA-N -1 3 378.392 2.198 20 30 GEEDHM CC(C)Oc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000824324022 609251816 /nfs/dbraw/zinc/25/18/16/609251816.db2.gz FRWOBFCTQDNKFE-KRWDZBQOSA-N -1 3 378.392 2.198 20 30 GEEDHM Cn1cc(C#N)cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826358308 609348773 /nfs/dbraw/zinc/34/87/73/609348773.db2.gz OHLTZEBPHMWGOX-UHFFFAOYSA-N -1 3 387.197 2.196 20 30 GEEDHM Cn1cc(C#N)cc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826358308 609348775 /nfs/dbraw/zinc/34/87/75/609348775.db2.gz OHLTZEBPHMWGOX-UHFFFAOYSA-N -1 3 387.197 2.196 20 30 GEEDHM C=C(C)CN(C)C(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000823874819 609349216 /nfs/dbraw/zinc/34/92/16/609349216.db2.gz ZDGOFZYOZHVIGR-UHFFFAOYSA-N -1 3 393.407 2.027 20 30 GEEDHM C=C(C)CN(C)C(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000823874819 609349218 /nfs/dbraw/zinc/34/92/18/609349218.db2.gz ZDGOFZYOZHVIGR-UHFFFAOYSA-N -1 3 393.407 2.027 20 30 GEEDHM N#Cc1ccnc(S[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826387794 609419012 /nfs/dbraw/zinc/41/90/12/609419012.db2.gz QZCFTUAERDCZQH-HNNXBMFYSA-N -1 3 377.433 2.421 20 30 GEEDHM N#Cc1ccnc(S[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826387794 609419014 /nfs/dbraw/zinc/41/90/14/609419014.db2.gz QZCFTUAERDCZQH-HNNXBMFYSA-N -1 3 377.433 2.421 20 30 GEEDHM N#Cc1ccc(Cc2cnc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)s2)cc1 ZINC000826385600 609442374 /nfs/dbraw/zinc/44/23/74/609442374.db2.gz SSIFZOGRKKCIBZ-UHFFFAOYSA-N -1 3 376.405 2.366 20 30 GEEDHM N#Cc1ccc(Cc2cnc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)s2)cc1 ZINC000826385600 609442376 /nfs/dbraw/zinc/44/23/76/609442376.db2.gz SSIFZOGRKKCIBZ-UHFFFAOYSA-N -1 3 376.405 2.366 20 30 GEEDHM COc1cccc(C=N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1O ZINC000826215488 609504948 /nfs/dbraw/zinc/50/49/48/609504948.db2.gz PYVUQOXSMCFPGX-IXGURIBZSA-N -1 3 392.419 2.195 20 30 GEEDHM COc1cccc(C=N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1O ZINC000826215488 609504950 /nfs/dbraw/zinc/50/49/50/609504950.db2.gz PYVUQOXSMCFPGX-IXGURIBZSA-N -1 3 392.419 2.195 20 30 GEEDHM CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825965689 609536625 /nfs/dbraw/zinc/53/66/25/609536625.db2.gz CCJAXDWMNCFOPJ-UHFFFAOYSA-N -1 3 388.840 2.212 20 30 GEEDHM CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825965689 609536627 /nfs/dbraw/zinc/53/66/27/609536627.db2.gz CCJAXDWMNCFOPJ-UHFFFAOYSA-N -1 3 388.840 2.212 20 30 GEEDHM C=CCOCCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823926045 609607631 /nfs/dbraw/zinc/60/76/31/609607631.db2.gz XBHUPBVEGVZRBU-UHFFFAOYSA-N -1 3 379.420 2.378 20 30 GEEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000824099827 609624747 /nfs/dbraw/zinc/62/47/47/609624747.db2.gz JJBNNRMYPFZPKV-GOSISDBHSA-N -1 3 389.387 2.311 20 30 GEEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000824099827 609624748 /nfs/dbraw/zinc/62/47/48/609624748.db2.gz JJBNNRMYPFZPKV-GOSISDBHSA-N -1 3 389.387 2.311 20 30 GEEDHM C[C@H]1[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCCN1C ZINC000451390853 650110206 /nfs/dbraw/zinc/11/02/06/650110206.db2.gz FARAYSASOPVSEA-TVQRCGJNSA-N -1 3 390.278 2.221 20 30 GEEDHM N[C@@](C(=O)[N-]CC(F)(F)CO)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000505229817 650436129 /nfs/dbraw/zinc/43/61/29/650436129.db2.gz AVEKYMBEWZODTK-LLVKDONJSA-N -1 3 380.235 2.166 20 30 GEEDHM O=S(=O)(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(F)c(C(F)(F)F)c1 ZINC000478900150 650593021 /nfs/dbraw/zinc/59/30/21/650593021.db2.gz JEHYSPMXKNYIGC-UHFFFAOYSA-N -1 3 392.256 2.460 20 30 GEEDHM C[C@]([N-]S(=O)(=O)c1ccc(C#N)cc1F)(C(N)=O)c1cccc(Cl)c1 ZINC000531406099 650738194 /nfs/dbraw/zinc/73/81/94/650738194.db2.gz NVNKTOFLBFFKHC-MRXNPFEDSA-N -1 3 381.816 2.030 20 30 GEEDHM CN(CC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)CC(F)(F)F ZINC000489274221 650756701 /nfs/dbraw/zinc/75/67/01/650756701.db2.gz DQISPWYGWXMGAJ-UHFFFAOYSA-N -1 3 398.300 2.497 20 30 GEEDHM CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)s1 ZINC000489803287 650763856 /nfs/dbraw/zinc/76/38/56/650763856.db2.gz LUWDJDADFDJAMI-UHFFFAOYSA-N -1 3 388.467 2.031 20 30 GEEDHM CN(Cc1ccc(C#N)cc1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000116463087 643464113 /nfs/dbraw/zinc/46/41/13/643464113.db2.gz HDVJMUXVQMMDOM-UHFFFAOYSA-N -1 3 383.882 2.210 20 30 GEEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000166306266 644274561 /nfs/dbraw/zinc/27/45/61/644274561.db2.gz ZVVYAKPLWCWZEM-CYBMUJFWSA-N -1 3 388.276 2.322 20 30 GEEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(Cc3cscn3)no2)ccc1F ZINC000544993151 650959837 /nfs/dbraw/zinc/95/98/37/650959837.db2.gz FXUJOQLRQKWVMV-UHFFFAOYSA-N -1 3 380.426 2.387 20 30 GEEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H](O)C(F)F ZINC000295742758 647238880 /nfs/dbraw/zinc/23/88/80/647238880.db2.gz NOFDQZAQBJYUML-ONGXEEELSA-N -1 3 383.214 2.004 20 30 GEEDHM N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000561324468 651478793 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532640383 /nfs/dbraw/zinc/64/03/83/532640383.db2.gz HBMAICFGIIKYEL-LLVKDONJSA-N -1 3 394.272 2.281 20 30 GEEDHM CCN(C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@H](C)C#N ZINC000598347342 532644394 /nfs/dbraw/zinc/64/43/94/532644394.db2.gz SVDZPUXNQSBORD-SECBINFHSA-N -1 3 397.806 2.398 20 30 GEEDHM C=CCCOCCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000533864799 532667630 /nfs/dbraw/zinc/66/76/30/532667630.db2.gz ZMLPQHDNDWCSKF-UHFFFAOYSA-N -1 3 384.479 2.142 20 30 GEEDHM C=C(CC)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)cc1 ZINC000568532673 532680489 /nfs/dbraw/zinc/68/04/89/532680489.db2.gz IPDNJSVLUFGJKV-LBPRGKRZSA-N -1 3 396.481 2.253 20 30 GEEDHM C=CC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)cc1 ZINC000569504720 532696986 /nfs/dbraw/zinc/69/69/86/532696986.db2.gz XKWCFMLAJNMPQN-RYUDHWBXSA-N -1 3 396.481 2.252 20 30 GEEDHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)s1 ZINC000299006079 532690093 /nfs/dbraw/zinc/69/00/93/532690093.db2.gz DSOHMTQIBHSXDB-LBPRGKRZSA-N 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532783696 /nfs/dbraw/zinc/78/36/96/532783696.db2.gz KEBOMWCJBWWYKF-MRXNPFEDSA-N -1 3 387.889 2.075 20 30 GEEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H]1n1cccn1 ZINC000550015469 532797192 /nfs/dbraw/zinc/79/71/92/532797192.db2.gz SIHAVYNCYCIWEW-FMKPAKJESA-N -1 3 380.857 2.105 20 30 GEEDHM CCCC[C@H](ON=C(C)C)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000273485386 532825043 /nfs/dbraw/zinc/82/50/43/532825043.db2.gz RHACEVXQNGLCQA-ZDUSSCGKSA-N -1 3 375.516 2.114 20 30 GEEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414452360 532827424 /nfs/dbraw/zinc/82/74/24/532827424.db2.gz MRLSZODUQAWGCP-GFCCVEGCSA-N -1 3 381.332 2.211 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2nnc3n2CCCC3)c(Cl)c1 ZINC000414467647 532829534 /nfs/dbraw/zinc/82/95/34/532829534.db2.gz WSMPZGOEJTTXSI-UHFFFAOYSA-N -1 3 379.873 2.051 20 30 GEEDHM CC[C@H](CC#N)NC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000273849515 532835612 /nfs/dbraw/zinc/83/56/12/532835612.db2.gz JOTFZUUFRJNLBD-TZMCWYRMSA-N -1 3 387.502 2.034 20 30 GEEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000416338508 532871223 /nfs/dbraw/zinc/87/12/23/532871223.db2.gz DNJMYJDLNDNJRO-HNNXBMFYSA-N -1 3 375.475 2.092 20 30 GEEDHM Cn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cn1 ZINC000275337981 532873104 /nfs/dbraw/zinc/87/31/04/532873104.db2.gz RHHXGCFKCCOLDB-GOEBONIOSA-N -1 3 380.857 2.144 20 30 GEEDHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416401781 532876120 /nfs/dbraw/zinc/87/61/20/532876120.db2.gz JNDNIIWJAGMGBE-ZDUSSCGKSA-N -1 3 375.288 2.396 20 30 GEEDHM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000290507089 532882710 /nfs/dbraw/zinc/88/27/10/532882710.db2.gz AJKJMTNMNPBDGY-CQSZACIVSA-N -1 3 387.255 2.206 20 30 GEEDHM CC1(C)C[C@]1(C#N)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000292421309 532916361 /nfs/dbraw/zinc/91/63/61/532916361.db2.gz HYUUWKCNHUIUJK-OAHLLOKOSA-N -1 3 390.292 2.470 20 30 GEEDHM CC(Cn1nc(C)cc1C)=NO[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736098670 598831443 /nfs/dbraw/zinc/83/14/43/598831443.db2.gz SNNIMEMPAHACOO-CQSZACIVSA-N -1 3 382.428 2.100 20 30 GEEDHM CC(Cn1nc(C)cc1C)=NO[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736098670 598831444 /nfs/dbraw/zinc/83/14/44/598831444.db2.gz SNNIMEMPAHACOO-CQSZACIVSA-N -1 3 382.428 2.100 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](OC)C(F)(F)F ZINC000735420803 598853566 /nfs/dbraw/zinc/85/35/66/598853566.db2.gz UELYAVHBVHDLTE-ZDUSSCGKSA-N -1 3 384.362 2.142 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](OC)C(F)(F)F ZINC000735420803 598853568 /nfs/dbraw/zinc/85/35/68/598853568.db2.gz UELYAVHBVHDLTE-ZDUSSCGKSA-N -1 3 384.362 2.142 20 30 GEEDHM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735426054 598871458 /nfs/dbraw/zinc/87/14/58/598871458.db2.gz JMIOQNFIMOWSHO-UHFFFAOYSA-N -1 3 398.423 2.254 20 30 GEEDHM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735426054 598871461 /nfs/dbraw/zinc/87/14/61/598871461.db2.gz JMIOQNFIMOWSHO-UHFFFAOYSA-N -1 3 398.423 2.254 20 30 GEEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736040883 598881404 /nfs/dbraw/zinc/88/14/04/598881404.db2.gz RSRIPXQEHYQOTN-CYBMUJFWSA-N -1 3 379.376 2.128 20 30 GEEDHM CON=Cc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737025097 598886552 /nfs/dbraw/zinc/88/65/52/598886552.db2.gz WGCFQTXZOMZKQD-CYBMUJFWSA-N -1 3 381.392 2.471 20 30 GEEDHM CON=Cc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737025097 598886553 /nfs/dbraw/zinc/88/65/53/598886553.db2.gz WGCFQTXZOMZKQD-CYBMUJFWSA-N -1 3 381.392 2.471 20 30 GEEDHM COC(=O)[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736900950 598896296 /nfs/dbraw/zinc/89/62/96/598896296.db2.gz UXPPUHCSATXJQO-GOSISDBHSA-N -1 3 391.387 2.128 20 30 GEEDHM COC(=O)[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736900950 598896298 /nfs/dbraw/zinc/89/62/98/598896298.db2.gz UXPPUHCSATXJQO-GOSISDBHSA-N -1 3 391.387 2.128 20 30 GEEDHM N#Cc1cc(NC(=O)CCc2nnc(-c3ccccc3)o2)ccc1-c1nnn[n-]1 ZINC000737707618 598916842 /nfs/dbraw/zinc/91/68/42/598916842.db2.gz ASFBDIBSOILROR-UHFFFAOYSA-N -1 3 386.375 2.360 20 30 GEEDHM N#Cc1cc(NC(=O)CCc2nnc(-c3ccccc3)o2)ccc1-c1nn[n-]n1 ZINC000737707618 598916843 /nfs/dbraw/zinc/91/68/43/598916843.db2.gz ASFBDIBSOILROR-UHFFFAOYSA-N -1 3 386.375 2.360 20 30 GEEDHM CC(CCN1C(=O)c2ccccc2C1=O)N=NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820243246 607254172 /nfs/dbraw/zinc/25/41/72/607254172.db2.gz YVFWWNFQYKRFMV-UHFFFAOYSA-N -1 3 389.419 2.019 20 30 GEEDHM CC(CCN1C(=O)c2ccccc2C1=O)N=NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820243246 607254173 /nfs/dbraw/zinc/25/41/73/607254173.db2.gz YVFWWNFQYKRFMV-UHFFFAOYSA-N -1 3 389.419 2.019 20 30 GEEDHM CCCCCCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736448850 598980684 /nfs/dbraw/zinc/98/06/84/598980684.db2.gz PEKKYUHOONUPAS-UHFFFAOYSA-N -1 3 392.529 2.143 20 30 GEEDHM CCCCCCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736448850 598980686 /nfs/dbraw/zinc/98/06/86/598980686.db2.gz PEKKYUHOONUPAS-UHFFFAOYSA-N -1 3 392.529 2.143 20 30 GEEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000735451229 599032205 /nfs/dbraw/zinc/03/22/05/599032205.db2.gz VGIVUVZJGLZRRI-UHFFFAOYSA-N -1 3 397.464 2.243 20 30 GEEDHM C#CCOc1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735381750 599076508 /nfs/dbraw/zinc/07/65/08/599076508.db2.gz ZDYLKCRPSQJJPH-UHFFFAOYSA-N -1 3 385.387 2.317 20 30 GEEDHM CCN1c2ccccc2C(=NN=Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1=O ZINC000736564577 599125523 /nfs/dbraw/zinc/12/55/23/599125523.db2.gz IDKGNHAXIYAYEC-UHFFFAOYSA-N -1 3 375.392 2.065 20 30 GEEDHM CCN1c2ccccc2C(=NN=Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1=O ZINC000736564577 599125525 /nfs/dbraw/zinc/12/55/25/599125525.db2.gz IDKGNHAXIYAYEC-UHFFFAOYSA-N -1 3 375.392 2.065 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737717235 599195210 /nfs/dbraw/zinc/19/52/10/599195210.db2.gz BHMNHHFWCBEXIE-GOSISDBHSA-N -1 3 384.403 2.218 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737717235 599195213 /nfs/dbraw/zinc/19/52/13/599195213.db2.gz BHMNHHFWCBEXIE-GOSISDBHSA-N -1 3 384.403 2.218 20 30 GEEDHM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735593530 599195476 /nfs/dbraw/zinc/19/54/76/599195476.db2.gz JHGFZRYKCLYIGR-AWEZNQCLSA-N -1 3 399.480 2.015 20 30 GEEDHM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735593530 599195479 /nfs/dbraw/zinc/19/54/79/599195479.db2.gz JHGFZRYKCLYIGR-AWEZNQCLSA-N -1 3 399.480 2.015 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)cc1-c1nnn[n-]1 ZINC000737716022 599194731 /nfs/dbraw/zinc/19/47/31/599194731.db2.gz KJHVOHIWMXHENK-MRXNPFEDSA-N -1 3 395.329 2.148 20 30 GEEDHM N#Cc1ccc(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)cc1-c1nn[n-]n1 ZINC000737716022 599194733 /nfs/dbraw/zinc/19/47/33/599194733.db2.gz KJHVOHIWMXHENK-MRXNPFEDSA-N -1 3 395.329 2.148 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000735426355 599203570 /nfs/dbraw/zinc/20/35/70/599203570.db2.gz PYIQZJHJDMKXEV-FQEVSTJZSA-N -1 3 382.468 2.233 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000735426355 599203571 /nfs/dbraw/zinc/20/35/71/599203571.db2.gz PYIQZJHJDMKXEV-FQEVSTJZSA-N -1 3 382.468 2.233 20 30 GEEDHM Cc1cc(C)c(C#N)c(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC000737240342 598247055 /nfs/dbraw/zinc/24/70/55/598247055.db2.gz JTFCSFNAPWUXNX-UHFFFAOYSA-N -1 3 378.415 2.216 20 30 GEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000737245803 598247106 /nfs/dbraw/zinc/24/71/06/598247106.db2.gz PMSGDCLIPUGVCI-UHFFFAOYSA-N -1 3 378.415 2.216 20 30 GEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000737245803 598247108 /nfs/dbraw/zinc/24/71/08/598247108.db2.gz PMSGDCLIPUGVCI-UHFFFAOYSA-N -1 3 378.415 2.216 20 30 GEEDHM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1F ZINC000737355848 598274247 /nfs/dbraw/zinc/27/42/47/598274247.db2.gz LPRLAZCKGZXZIE-SECBINFHSA-N -1 3 398.427 2.282 20 30 GEEDHM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1F ZINC000737355848 598274249 /nfs/dbraw/zinc/27/42/49/598274249.db2.gz LPRLAZCKGZXZIE-SECBINFHSA-N -1 3 398.427 2.282 20 30 GEEDHM N#Cc1ccc(CSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737718159 598300941 /nfs/dbraw/zinc/30/09/41/598300941.db2.gz KKNZPXWKUUGPRY-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM N#Cc1ccc(CSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737718159 598300943 /nfs/dbraw/zinc/30/09/43/598300943.db2.gz KKNZPXWKUUGPRY-UHFFFAOYSA-N -1 3 382.424 2.427 20 30 GEEDHM CC(=NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735450923 598313521 /nfs/dbraw/zinc/31/35/21/598313521.db2.gz KCOVICQTCFMSCJ-UHFFFAOYSA-N -1 3 397.464 2.144 20 30 GEEDHM CC(=NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000735450923 598313523 /nfs/dbraw/zinc/31/35/23/598313523.db2.gz KCOVICQTCFMSCJ-UHFFFAOYSA-N -1 3 397.464 2.144 20 30 GEEDHM O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823396463 607352953 /nfs/dbraw/zinc/35/29/53/607352953.db2.gz JVILYOREEQOJHF-UHFFFAOYSA-N -1 3 377.282 2.302 20 30 GEEDHM O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823396463 607352954 /nfs/dbraw/zinc/35/29/54/607352954.db2.gz JVILYOREEQOJHF-UHFFFAOYSA-N -1 3 377.282 2.302 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CN1Cc2ccccc2C1=O ZINC000735418126 598360059 /nfs/dbraw/zinc/36/00/59/598360059.db2.gz BGAPAPXXUBGMKW-UHFFFAOYSA-N -1 3 388.431 2.037 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CN1Cc2ccccc2C1=O ZINC000735418126 598360061 /nfs/dbraw/zinc/36/00/61/598360061.db2.gz BGAPAPXXUBGMKW-UHFFFAOYSA-N -1 3 388.431 2.037 20 30 GEEDHM COc1ccc(O)c(C=NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000737106137 598440170 /nfs/dbraw/zinc/44/01/70/598440170.db2.gz NWHFRGUNTDPEFA-NDENLUEZSA-N -1 3 379.424 2.064 20 30 GEEDHM COc1ccc(O)c(C=NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737106137 598440172 /nfs/dbraw/zinc/44/01/72/598440172.db2.gz NWHFRGUNTDPEFA-NDENLUEZSA-N -1 3 379.424 2.064 20 30 GEEDHM N#Cc1c(Cl)nsc1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737705334 598459378 /nfs/dbraw/zinc/45/93/78/598459378.db2.gz OAWIYYODCNFGGL-UHFFFAOYSA-N -1 3 387.860 2.324 20 30 GEEDHM N#Cc1c(Cl)nsc1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737705334 598459379 /nfs/dbraw/zinc/45/93/79/598459379.db2.gz OAWIYYODCNFGGL-UHFFFAOYSA-N -1 3 387.860 2.324 20 30 GEEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000735873194 598506660 /nfs/dbraw/zinc/50/66/60/598506660.db2.gz BLVXCMIBYVSDJW-UHFFFAOYSA-N -1 3 396.476 2.479 20 30 GEEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000735873194 598506662 /nfs/dbraw/zinc/50/66/62/598506662.db2.gz BLVXCMIBYVSDJW-UHFFFAOYSA-N -1 3 396.476 2.479 20 30 GEEDHM Cc1c(C(=O)C=Cc2cn(-c3ccccc3)nn2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203145 598640840 /nfs/dbraw/zinc/64/08/40/598640840.db2.gz RXKLIAMMYHJKLU-MDZDMXLPSA-N -1 3 386.419 2.400 20 30 GEEDHM Cc1c(C(=O)C=Cc2cn(-c3ccccc3)nn2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203145 598640842 /nfs/dbraw/zinc/64/08/42/598640842.db2.gz RXKLIAMMYHJKLU-MDZDMXLPSA-N -1 3 386.419 2.400 20 30 GEEDHM C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735426265 598687531 /nfs/dbraw/zinc/68/75/31/598687531.db2.gz NUDLPYLOLAFREL-UHFFFAOYSA-N -1 3 379.442 2.444 20 30 GEEDHM O=C(C=NOCCCOc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(F)c1 ZINC000737809947 598699390 /nfs/dbraw/zinc/69/93/90/598699390.db2.gz WFGZEUUJAXBKAQ-UHFFFAOYSA-N -1 3 384.371 2.416 20 30 GEEDHM N#Cc1ccc(SCC(=O)OCCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000737722209 598713947 /nfs/dbraw/zinc/71/39/47/598713947.db2.gz FVASRHQZLCDUKE-UHFFFAOYSA-N -1 3 381.417 2.453 20 30 GEEDHM N#Cc1ccc(SCC(=O)OCCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000737722209 598713949 /nfs/dbraw/zinc/71/39/49/598713949.db2.gz FVASRHQZLCDUKE-UHFFFAOYSA-N -1 3 381.417 2.453 20 30 GEEDHM N#Cc1ccc(NC(=O)COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737716023 598716004 /nfs/dbraw/zinc/71/60/04/598716004.db2.gz KLQSIELGWZVLFN-UHFFFAOYSA-N -1 3 394.416 2.012 20 30 GEEDHM N#Cc1ccc(NC(=O)COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737716023 598716005 /nfs/dbraw/zinc/71/60/05/598716005.db2.gz KLQSIELGWZVLFN-UHFFFAOYSA-N -1 3 394.416 2.012 20 30 GEEDHM N#Cc1ccc(OC2CCN(C(=O)c3sccc3-c3nnn[n-]3)CC2)cc1 ZINC000737721227 598746325 /nfs/dbraw/zinc/74/63/25/598746325.db2.gz IDOMHVQAYYOBOE-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM N#Cc1ccc(OC2CCN(C(=O)c3sccc3-c3nn[n-]n3)CC2)cc1 ZINC000737721227 598746326 /nfs/dbraw/zinc/74/63/26/598746326.db2.gz IDOMHVQAYYOBOE-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM C[C@@H](c1ccc(C#N)cc1)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000736198142 599309070 /nfs/dbraw/zinc/30/90/70/599309070.db2.gz GNVVBFNIOXRRGI-ZDUSSCGKSA-N -1 3 390.451 2.487 20 30 GEEDHM C[C@@H](c1ccc(C#N)cc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736198142 599309073 /nfs/dbraw/zinc/30/90/73/599309073.db2.gz GNVVBFNIOXRRGI-ZDUSSCGKSA-N -1 3 390.451 2.487 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819709263 599440994 /nfs/dbraw/zinc/44/09/94/599440994.db2.gz AARGVZJRKMBGND-AWEZNQCLSA-N -1 3 376.420 2.439 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819709263 599440997 /nfs/dbraw/zinc/44/09/97/599440997.db2.gz AARGVZJRKMBGND-AWEZNQCLSA-N -1 3 376.420 2.439 20 30 GEEDHM N#Cc1ccc(N2CCC(Nc3c(-c4nnn[n-]4)cnc4ccccc43)CC2)nc1 ZINC000822829625 599522806 /nfs/dbraw/zinc/52/28/06/599522806.db2.gz APEDKERPHNEVGP-UHFFFAOYSA-N -1 3 397.446 2.184 20 30 GEEDHM N#Cc1ccc(N2CCC(Nc3c(-c4nn[n-]n4)cnc4ccccc43)CC2)nc1 ZINC000822829625 599522808 /nfs/dbraw/zinc/52/28/08/599522808.db2.gz APEDKERPHNEVGP-UHFFFAOYSA-N -1 3 397.446 2.184 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000826252746 607383693 /nfs/dbraw/zinc/38/36/93/607383693.db2.gz PTYZXYUJZZNLBF-UHFFFAOYSA-N -1 3 387.359 2.454 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000826252746 607383695 /nfs/dbraw/zinc/38/36/95/607383695.db2.gz PTYZXYUJZZNLBF-UHFFFAOYSA-N -1 3 387.359 2.454 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000820316125 599618674 /nfs/dbraw/zinc/61/86/74/599618674.db2.gz SQHQSQDLIKTGHS-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000820316125 599618676 /nfs/dbraw/zinc/61/86/76/599618676.db2.gz SQHQSQDLIKTGHS-SNVBAGLBSA-N -1 3 395.810 2.208 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826256781 607386824 /nfs/dbraw/zinc/38/68/24/607386824.db2.gz AAZSWPSZOFCRDT-GFCCVEGCSA-N -1 3 376.376 2.231 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826256781 607386826 /nfs/dbraw/zinc/38/68/26/607386826.db2.gz AAZSWPSZOFCRDT-GFCCVEGCSA-N -1 3 376.376 2.231 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(NC(=O)CC#N)cc1 ZINC000821745017 607410488 /nfs/dbraw/zinc/41/04/88/607410488.db2.gz AADULIXZLKSLJF-UHFFFAOYSA-N -1 3 392.375 2.084 20 30 GEEDHM C=CC1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CC1 ZINC000819729745 607435661 /nfs/dbraw/zinc/43/56/61/607435661.db2.gz LZHWCSOGMHDHGR-UHFFFAOYSA-N -1 3 384.440 2.017 20 30 GEEDHM C=CC1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CC1 ZINC000819729745 607435663 /nfs/dbraw/zinc/43/56/63/607435663.db2.gz LZHWCSOGMHDHGR-UHFFFAOYSA-N -1 3 384.440 2.017 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823861738 607456411 /nfs/dbraw/zinc/45/64/11/607456411.db2.gz QOEQLKGZRRWXAY-UHFFFAOYSA-N -1 3 388.431 2.367 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823861738 607456413 /nfs/dbraw/zinc/45/64/13/607456413.db2.gz QOEQLKGZRRWXAY-UHFFFAOYSA-N -1 3 388.431 2.367 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000826183639 607466158 /nfs/dbraw/zinc/46/61/58/607466158.db2.gz VWOSXZXARHUELV-LJQANCHMSA-N -1 3 389.463 2.258 20 30 GEEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000829881279 601236219 /nfs/dbraw/zinc/23/62/19/601236219.db2.gz DFTDRYSKNLVGAT-SQWLQELKSA-N -1 3 386.404 2.402 20 30 GEEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000827718100 601301878 /nfs/dbraw/zinc/30/18/78/601301878.db2.gz OSZKMQRJUKFJCK-FZKQIMNGSA-N -1 3 387.461 2.285 20 30 GEEDHM N#Cc1cc(NC(=O)COc2ccccc2-c2nnn[n-]2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384408 607523294 /nfs/dbraw/zinc/52/32/94/607523294.db2.gz UJLFASYJNXQOHU-UHFFFAOYSA-N -1 3 399.754 2.317 20 30 GEEDHM N#Cc1cc(NC(=O)COc2ccccc2-c2nn[n-]n2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384408 607523295 /nfs/dbraw/zinc/52/32/95/607523295.db2.gz UJLFASYJNXQOHU-UHFFFAOYSA-N -1 3 399.754 2.317 20 30 GEEDHM N#Cc1ccc(OCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000833071734 601731093 /nfs/dbraw/zinc/73/10/93/601731093.db2.gz OFLSUIGHAJXIGH-QFIPXVFZSA-N -1 3 393.443 2.173 20 30 GEEDHM COc1ccc(CNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826197746 607573952 /nfs/dbraw/zinc/57/39/52/607573952.db2.gz BQJRLQDCZWKODM-UHFFFAOYSA-N -1 3 377.408 2.089 20 30 GEEDHM COc1ccc(CNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826197746 607573955 /nfs/dbraw/zinc/57/39/55/607573955.db2.gz BQJRLQDCZWKODM-UHFFFAOYSA-N -1 3 377.408 2.089 20 30 GEEDHM COc1ccc(CNC(=O)N(C)Cc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000826198263 607575101 /nfs/dbraw/zinc/57/51/01/607575101.db2.gz SFEQQWGFQMAWBX-UHFFFAOYSA-N -1 3 377.408 2.089 20 30 GEEDHM COc1ccc(CNC(=O)N(C)Cc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000826198263 607575102 /nfs/dbraw/zinc/57/51/02/607575102.db2.gz SFEQQWGFQMAWBX-UHFFFAOYSA-N -1 3 377.408 2.089 20 30 GEEDHM CCOc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(F)cc1C#N ZINC000825615983 607576774 /nfs/dbraw/zinc/57/67/74/607576774.db2.gz RMPFFOHEQBOXAA-UHFFFAOYSA-N -1 3 389.368 2.044 20 30 GEEDHM CCOc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(F)cc1C#N ZINC000825615983 607576776 /nfs/dbraw/zinc/57/67/76/607576776.db2.gz RMPFFOHEQBOXAA-UHFFFAOYSA-N -1 3 389.368 2.044 20 30 GEEDHM Cc1cccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1-c1nnn[n-]1 ZINC000826301231 607601148 /nfs/dbraw/zinc/60/11/48/607601148.db2.gz XTRVIBDQWIZDEN-UHFFFAOYSA-N -1 3 394.460 2.400 20 30 GEEDHM Cc1cccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1-c1nn[n-]n1 ZINC000826301231 607601150 /nfs/dbraw/zinc/60/11/50/607601150.db2.gz XTRVIBDQWIZDEN-UHFFFAOYSA-N -1 3 394.460 2.400 20 30 GEEDHM C#CCOc1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823861363 607609306 /nfs/dbraw/zinc/60/93/06/607609306.db2.gz FSWBJLQQXPPTJA-UHFFFAOYSA-N -1 3 390.808 2.300 20 30 GEEDHM N#Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c(F)c1 ZINC000826384570 607610537 /nfs/dbraw/zinc/61/05/37/607610537.db2.gz ASEBVLNWFKQKGV-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM COCCN(CC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1)C(=O)[O-] ZINC000739814601 603169878 /nfs/dbraw/zinc/16/98/78/603169878.db2.gz UWDMUQMICUJHKM-AWEZNQCLSA-N -1 3 384.417 2.484 20 30 GEEDHM Cc1csc(=NC[C@@H]2CCCO2)n1N=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826320181 607634109 /nfs/dbraw/zinc/63/41/09/607634109.db2.gz JBUMHDLKLHZVRU-NSHDSACASA-N -1 3 375.483 2.062 20 30 GEEDHM N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826385479 607651263 /nfs/dbraw/zinc/65/12/63/607651263.db2.gz OHQCIXWRGJJCJW-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824641195 607656704 /nfs/dbraw/zinc/65/67/04/607656704.db2.gz SYPLRIYBRMPLQE-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824641195 607656705 /nfs/dbraw/zinc/65/67/05/607656705.db2.gz SYPLRIYBRMPLQE-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826257358 607662544 /nfs/dbraw/zinc/66/25/44/607662544.db2.gz YWOJCYRQMMPBHS-UHFFFAOYSA-N -1 3 391.410 2.148 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826257358 607662546 /nfs/dbraw/zinc/66/25/46/607662546.db2.gz YWOJCYRQMMPBHS-UHFFFAOYSA-N -1 3 391.410 2.148 20 30 GEEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000828030948 604186888 /nfs/dbraw/zinc/18/68/88/604186888.db2.gz MKFKBMASCWFDHL-ROUUACIJSA-N -1 3 387.484 2.068 20 30 GEEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1Cl ZINC000829443119 604221975 /nfs/dbraw/zinc/22/19/75/604221975.db2.gz YRGXLBACEHDHPU-JFGNBEQYSA-N -1 3 379.800 2.432 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000823914349 607709119 /nfs/dbraw/zinc/70/91/19/607709119.db2.gz GXPJLLSRBHVPNL-UHFFFAOYSA-N -1 3 389.419 2.287 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000823914349 607709120 /nfs/dbraw/zinc/70/91/20/607709120.db2.gz GXPJLLSRBHVPNL-UHFFFAOYSA-N -1 3 389.419 2.287 20 30 GEEDHM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000819933295 606127039 /nfs/dbraw/zinc/12/70/39/606127039.db2.gz MSCFWEGCVPBOBS-IBGZPJMESA-N -1 3 397.439 2.324 20 30 GEEDHM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000819933295 606127041 /nfs/dbraw/zinc/12/70/41/606127041.db2.gz MSCFWEGCVPBOBS-IBGZPJMESA-N -1 3 397.439 2.324 20 30 GEEDHM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000819933304 606127211 /nfs/dbraw/zinc/12/72/11/606127211.db2.gz MWNLZXUKWWKNIQ-LJQANCHMSA-N -1 3 397.439 2.324 20 30 GEEDHM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000819933304 606127212 /nfs/dbraw/zinc/12/72/12/606127212.db2.gz MWNLZXUKWWKNIQ-LJQANCHMSA-N -1 3 397.439 2.324 20 30 GEEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)CCC#N)c1-c1nnn[n-]1 ZINC000822015296 606198113 /nfs/dbraw/zinc/19/81/13/606198113.db2.gz GZDFFGVSYIHFDK-UHFFFAOYSA-N -1 3 378.440 2.058 20 30 GEEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)CCC#N)c1-c1nn[n-]n1 ZINC000822015296 606198114 /nfs/dbraw/zinc/19/81/14/606198114.db2.gz GZDFFGVSYIHFDK-UHFFFAOYSA-N -1 3 378.440 2.058 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819745581 606233971 /nfs/dbraw/zinc/23/39/71/606233971.db2.gz KVHDEOMLGNEINF-LLVKDONJSA-N -1 3 386.437 2.016 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819745581 606233972 /nfs/dbraw/zinc/23/39/72/606233972.db2.gz KVHDEOMLGNEINF-LLVKDONJSA-N -1 3 386.437 2.016 20 30 GEEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000822805981 606301523 /nfs/dbraw/zinc/30/15/23/606301523.db2.gz HQDCTGLXJXAPLF-CJNGLKHVSA-N -1 3 378.392 2.461 20 30 GEEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000822805981 606301525 /nfs/dbraw/zinc/30/15/25/606301525.db2.gz HQDCTGLXJXAPLF-CJNGLKHVSA-N -1 3 378.392 2.461 20 30 GEEDHM CN(C)S(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821588106 606388838 /nfs/dbraw/zinc/38/88/38/606388838.db2.gz BCBALLKHFUWMTL-UITAMQMPSA-N -1 3 389.462 2.075 20 30 GEEDHM CN(C)C(=O)COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821578285 606388939 /nfs/dbraw/zinc/38/89/39/606388939.db2.gz WXWXWEQDWOOGLM-CLFYSBASSA-N -1 3 383.433 2.291 20 30 GEEDHM N#Cc1ccc(C(=O)N2CCCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000822823122 606521675 /nfs/dbraw/zinc/52/16/75/606521675.db2.gz LIVWDMNOHMPYOW-UHFFFAOYSA-N -1 3 393.476 2.148 20 30 GEEDHM N#Cc1csc(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822845824 606567659 /nfs/dbraw/zinc/56/76/59/606567659.db2.gz IKWWZPVCOKRRNK-UHFFFAOYSA-N -1 3 388.796 2.249 20 30 GEEDHM N#Cc1csc(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822845824 606567661 /nfs/dbraw/zinc/56/76/61/606567661.db2.gz IKWWZPVCOKRRNK-UHFFFAOYSA-N -1 3 388.796 2.249 20 30 GEEDHM N#Cc1ccsc1C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822842429 606593381 /nfs/dbraw/zinc/59/33/81/606593381.db2.gz HXXLMQIBILKJAU-UHFFFAOYSA-N -1 3 379.449 2.199 20 30 GEEDHM N#Cc1ccsc1C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822842429 606593382 /nfs/dbraw/zinc/59/33/82/606593382.db2.gz HXXLMQIBILKJAU-UHFFFAOYSA-N -1 3 379.449 2.199 20 30 GEEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(CCC#N)CC(F)(F)F ZINC000822505740 606632559 /nfs/dbraw/zinc/63/25/59/606632559.db2.gz UGWFFOODBXZMNL-UHFFFAOYSA-N -1 3 391.361 2.169 20 30 GEEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(CCC#N)CC(F)(F)F ZINC000822505740 606632561 /nfs/dbraw/zinc/63/25/61/606632561.db2.gz UGWFFOODBXZMNL-UHFFFAOYSA-N -1 3 391.361 2.169 20 30 GEEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccnc(C#N)c1 ZINC000820031438 606647786 /nfs/dbraw/zinc/64/77/86/606647786.db2.gz FIOLWABCEZKHKV-KRWDZBQOSA-N -1 3 378.392 2.280 20 30 GEEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccnc(C#N)c1 ZINC000820031438 606647787 /nfs/dbraw/zinc/64/77/87/606647787.db2.gz FIOLWABCEZKHKV-KRWDZBQOSA-N -1 3 378.392 2.280 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000819743871 606718089 /nfs/dbraw/zinc/71/80/89/606718089.db2.gz RTTMDNKTNCIGGS-UHFFFAOYSA-N -1 3 398.467 2.439 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000819743871 606718091 /nfs/dbraw/zinc/71/80/91/606718091.db2.gz RTTMDNKTNCIGGS-UHFFFAOYSA-N -1 3 398.467 2.439 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000821648812 606756945 /nfs/dbraw/zinc/75/69/45/606756945.db2.gz UBYOBMWNBWUESL-OAHLLOKOSA-N -1 3 399.313 2.088 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000821648812 606756947 /nfs/dbraw/zinc/75/69/47/606756947.db2.gz UBYOBMWNBWUESL-OAHLLOKOSA-N -1 3 399.313 2.088 20 30 GEEDHM C=C(C)COCCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819722723 606804107 /nfs/dbraw/zinc/80/41/07/606804107.db2.gz PPPZKXQKJWFDBO-UHFFFAOYSA-N -1 3 383.408 2.361 20 30 GEEDHM CN=c1scc(-c2oc(C)nc2C)n1N=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821630484 606989193 /nfs/dbraw/zinc/98/91/93/606989193.db2.gz ZLGMPVDSZMGFDC-UHFFFAOYSA-N -1 3 380.437 2.414 20 30 GEEDHM CN=c1scc(-c2oc(C)nc2C)n1N=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821630484 606989195 /nfs/dbraw/zinc/98/91/95/606989195.db2.gz ZLGMPVDSZMGFDC-UHFFFAOYSA-N -1 3 380.437 2.414 20 30 GEEDHM COC(=O)c1oc([C@@H](C)Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1C ZINC000821671094 607159683 /nfs/dbraw/zinc/15/96/83/607159683.db2.gz HXRSNNIIQWWYGJ-MRVPVSSYSA-N -1 3 385.409 2.257 20 30 GEEDHM COC(=O)c1oc([C@@H](C)Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1C ZINC000821671094 607159685 /nfs/dbraw/zinc/15/96/85/607159685.db2.gz HXRSNNIIQWWYGJ-MRVPVSSYSA-N -1 3 385.409 2.257 20 30 GEEDHM COC(=O)c1oc([C@@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1C ZINC000821671257 607159940 /nfs/dbraw/zinc/15/99/40/607159940.db2.gz ONZHOVVFCGHOJV-MRVPVSSYSA-N -1 3 385.409 2.257 20 30 GEEDHM COC(=O)c1oc([C@@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1C ZINC000821671257 607159941 /nfs/dbraw/zinc/15/99/41/607159941.db2.gz ONZHOVVFCGHOJV-MRVPVSSYSA-N -1 3 385.409 2.257 20 30 GEEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)CCc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000822837387 607188738 /nfs/dbraw/zinc/18/87/38/607188738.db2.gz MFGVPRCGUYLYFI-UHFFFAOYSA-N -1 3 398.430 2.377 20 30 GEEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)CCc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000822837387 607188739 /nfs/dbraw/zinc/18/87/39/607188739.db2.gz MFGVPRCGUYLYFI-UHFFFAOYSA-N -1 3 398.430 2.377 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cn(C(C)C)cn1 ZINC000823914427 607817335 /nfs/dbraw/zinc/81/73/35/607817335.db2.gz INLSUYATJVUROC-UHFFFAOYSA-N -1 3 387.469 2.021 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cn(C(C)C)cn1 ZINC000823914427 607817336 /nfs/dbraw/zinc/81/73/36/607817336.db2.gz INLSUYATJVUROC-UHFFFAOYSA-N -1 3 387.469 2.021 20 30 GEEDHM C=CCc1ccc(OC[C@@H](O)COc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000823937044 607870603 /nfs/dbraw/zinc/87/06/03/607870603.db2.gz GAEJGQAITXEEKD-INIZCTEOSA-N -1 3 382.420 2.423 20 30 GEEDHM C=CCc1ccc(OC[C@@H](O)COc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000823937044 607870604 /nfs/dbraw/zinc/87/06/04/607870604.db2.gz GAEJGQAITXEEKD-INIZCTEOSA-N -1 3 382.420 2.423 20 30 GEEDHM C=CCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823937214 607872508 /nfs/dbraw/zinc/87/25/08/607872508.db2.gz MQQTWUQKPAGWLY-INIZCTEOSA-N -1 3 397.391 2.322 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@H](O)COc1ccc(CC#N)cc1 ZINC000826243087 607874008 /nfs/dbraw/zinc/87/40/08/607874008.db2.gz SZUMVZBDUFMYRJ-QGZVFWFLSA-N -1 3 379.420 2.368 20 30 GEEDHM C=C(C)[C@H](CC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)OCC ZINC000823872729 607881818 /nfs/dbraw/zinc/88/18/18/607881818.db2.gz CZRVSBXTAAPNAW-INIZCTEOSA-N -1 3 388.447 2.026 20 30 GEEDHM C=C(C)[C@H](CC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)OCC ZINC000823872729 607881819 /nfs/dbraw/zinc/88/18/19/607881819.db2.gz CZRVSBXTAAPNAW-INIZCTEOSA-N -1 3 388.447 2.026 20 30 GEEDHM C#CCOCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823850851 607922284 /nfs/dbraw/zinc/92/22/84/607922284.db2.gz VJCBMPKYYVNENR-AWEZNQCLSA-N -1 3 378.417 2.206 20 30 GEEDHM C#CCOCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823850851 607922285 /nfs/dbraw/zinc/92/22/85/607922285.db2.gz VJCBMPKYYVNENR-AWEZNQCLSA-N -1 3 378.417 2.206 20 30 GEEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(Br)n1 ZINC000826282277 607926670 /nfs/dbraw/zinc/92/66/70/607926670.db2.gz GSVYXLBSUZSJMP-UHFFFAOYSA-N -1 3 384.197 2.457 20 30 GEEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(Br)n1 ZINC000826282277 607926671 /nfs/dbraw/zinc/92/66/71/607926671.db2.gz GSVYXLBSUZSJMP-UHFFFAOYSA-N -1 3 384.197 2.457 20 30 GEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826383626 607933649 /nfs/dbraw/zinc/93/36/49/607933649.db2.gz JJAHSCWFRCVRSN-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826383626 607933650 /nfs/dbraw/zinc/93/36/50/607933650.db2.gz JJAHSCWFRCVRSN-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM C#CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823838339 607944204 /nfs/dbraw/zinc/94/42/04/607944204.db2.gz OLUROLIPKYXWJR-HNNXBMFYSA-N -1 3 394.822 2.339 20 30 GEEDHM C#CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823838339 607944205 /nfs/dbraw/zinc/94/42/05/607944205.db2.gz OLUROLIPKYXWJR-HNNXBMFYSA-N -1 3 394.822 2.339 20 30 GEEDHM C=C[C@@H](CC(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883738 607981161 /nfs/dbraw/zinc/98/11/61/607981161.db2.gz ZGCJEUGSWWOIQZ-INIZCTEOSA-N -1 3 391.431 2.386 20 30 GEEDHM C=C[C@@H](CC(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883738 607981162 /nfs/dbraw/zinc/98/11/62/607981162.db2.gz ZGCJEUGSWWOIQZ-INIZCTEOSA-N -1 3 391.431 2.386 20 30 GEEDHM C[C@H](NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)cc1 ZINC000824632739 608002118 /nfs/dbraw/zinc/00/21/18/608002118.db2.gz CTEIEPCZCFQUOP-NSHDSACASA-N -1 3 386.412 2.058 20 30 GEEDHM C[C@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1 ZINC000824632739 608002119 /nfs/dbraw/zinc/00/21/19/608002119.db2.gz CTEIEPCZCFQUOP-NSHDSACASA-N -1 3 386.412 2.058 20 30 GEEDHM N#Cc1ccc(NCCNc2ncccc2-c2nnn[n-]2)c(Br)c1 ZINC000826385409 608048195 /nfs/dbraw/zinc/04/81/95/608048195.db2.gz LACMAMYFBAZVMH-UHFFFAOYSA-N -1 3 385.229 2.420 20 30 GEEDHM N#Cc1ccc(NCCNc2ncccc2-c2nn[n-]n2)c(Br)c1 ZINC000826385409 608048196 /nfs/dbraw/zinc/04/81/96/608048196.db2.gz LACMAMYFBAZVMH-UHFFFAOYSA-N -1 3 385.229 2.420 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000826183070 608071900 /nfs/dbraw/zinc/07/19/00/608071900.db2.gz CMKHVVJVVMEDFB-LJQANCHMSA-N -1 3 376.420 2.320 20 30 GEEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)cc1C ZINC000826161588 608138073 /nfs/dbraw/zinc/13/80/73/608138073.db2.gz PJLSCNKCSXAWCX-UHFFFAOYSA-N -1 3 378.392 2.324 20 30 GEEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)cc1C ZINC000826161588 608138074 /nfs/dbraw/zinc/13/80/74/608138074.db2.gz PJLSCNKCSXAWCX-UHFFFAOYSA-N -1 3 378.392 2.324 20 30 GEEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccccc1CC#N ZINC000826161778 608139056 /nfs/dbraw/zinc/13/90/56/608139056.db2.gz ZEJXRTSFSMONNC-UHFFFAOYSA-N -1 3 392.419 2.139 20 30 GEEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1CC#N ZINC000826161778 608139057 /nfs/dbraw/zinc/13/90/57/608139057.db2.gz ZEJXRTSFSMONNC-UHFFFAOYSA-N -1 3 392.419 2.139 20 30 GEEDHM COC[C@@H](C#N)OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826147598 608146167 /nfs/dbraw/zinc/14/61/67/608146167.db2.gz CVJDBNYTKLLFIV-MRXNPFEDSA-N -1 3 379.376 2.141 20 30 GEEDHM COC[C@@H](C#N)OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826147598 608146168 /nfs/dbraw/zinc/14/61/68/608146168.db2.gz CVJDBNYTKLLFIV-MRXNPFEDSA-N -1 3 379.376 2.141 20 30 GEEDHM C[C@@H]1CC(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)=NO1 ZINC000824892533 608207786 /nfs/dbraw/zinc/20/77/86/608207786.db2.gz JZDWBEFQFGWPQB-GFCCVEGCSA-N -1 3 378.392 2.298 20 30 GEEDHM C[C@@H]1CC(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)=NO1 ZINC000824892533 608207788 /nfs/dbraw/zinc/20/77/88/608207788.db2.gz JZDWBEFQFGWPQB-GFCCVEGCSA-N -1 3 378.392 2.298 20 30 GEEDHM CCN(C(=O)CNc1ccc(C#N)cn1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372340 608220349 /nfs/dbraw/zinc/22/03/49/608220349.db2.gz VVVWEXUDNSADMZ-CYBMUJFWSA-N -1 3 376.424 2.155 20 30 GEEDHM CCN(C(=O)CNc1ccc(C#N)cn1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372340 608220351 /nfs/dbraw/zinc/22/03/51/608220351.db2.gz VVVWEXUDNSADMZ-CYBMUJFWSA-N -1 3 376.424 2.155 20 30 GEEDHM CS(=O)(=O)c1cccc(Cl)c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826224101 608290002 /nfs/dbraw/zinc/29/00/02/608290002.db2.gz OIFCTMOZLFLLEE-UHFFFAOYSA-N -1 3 390.856 2.047 20 30 GEEDHM CS(=O)(=O)c1cccc(Cl)c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826224101 608290003 /nfs/dbraw/zinc/29/00/03/608290003.db2.gz OIFCTMOZLFLLEE-UHFFFAOYSA-N -1 3 390.856 2.047 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826387551 608403066 /nfs/dbraw/zinc/40/30/66/608403066.db2.gz BDSYIBZMLXPIRR-UHFFFAOYSA-N -1 3 394.414 2.065 20 30 GEEDHM N#Cc1nc(C2CC2)oc1N1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826387551 608403067 /nfs/dbraw/zinc/40/30/67/608403067.db2.gz BDSYIBZMLXPIRR-UHFFFAOYSA-N -1 3 394.414 2.065 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826333955 608443451 /nfs/dbraw/zinc/44/34/51/608443451.db2.gz BABBCFOKWPIRAB-UHFFFAOYSA-N -1 3 397.414 2.409 20 30 GEEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826333955 608443453 /nfs/dbraw/zinc/44/34/53/608443453.db2.gz BABBCFOKWPIRAB-UHFFFAOYSA-N -1 3 397.414 2.409 20 30 GEEDHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824040481 608465354 /nfs/dbraw/zinc/46/53/54/608465354.db2.gz QNTYWORCEVAWIO-VFNWGFHPSA-N -1 3 393.495 2.399 20 30 GEEDHM C=CCOc1cccnc1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823932306 608469961 /nfs/dbraw/zinc/46/99/61/608469961.db2.gz UBLXIDMUKFMOQG-QGZVFWFLSA-N -1 3 392.419 2.040 20 30 GEEDHM C=CCOc1cccnc1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823932306 608469963 /nfs/dbraw/zinc/46/99/63/608469963.db2.gz UBLXIDMUKFMOQG-QGZVFWFLSA-N -1 3 392.419 2.040 20 30 GEEDHM C=CCOc1ccc(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000823932378 608508015 /nfs/dbraw/zinc/50/80/15/608508015.db2.gz VZABYGZKSDYIPD-UHFFFAOYSA-N -1 3 377.452 2.149 20 30 GEEDHM C=CCCOCCCCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823898806 608580142 /nfs/dbraw/zinc/58/01/42/608580142.db2.gz CAWLPWZSSZXXGM-UHFFFAOYSA-N -1 3 398.511 2.274 20 30 GEEDHM CN(C)C(=O)COc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000825846336 608875846 /nfs/dbraw/zinc/87/58/46/608875846.db2.gz WUTODTSCAMUOAN-VQHVLOKHSA-N -1 3 395.394 2.369 20 30 GEEDHM CN(C)C(=O)COc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000825846336 608875849 /nfs/dbraw/zinc/87/58/49/608875849.db2.gz WUTODTSCAMUOAN-VQHVLOKHSA-N -1 3 395.394 2.369 20 30 GEEDHM C#CCCCCCC(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823840770 609134997 /nfs/dbraw/zinc/13/49/97/609134997.db2.gz FMCJKJKEQDNYQO-QGZVFWFLSA-N -1 3 381.436 2.489 20 30 GEEDHM C#CCCCCCC(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823840770 609134998 /nfs/dbraw/zinc/13/49/98/609134998.db2.gz FMCJKJKEQDNYQO-QGZVFWFLSA-N -1 3 381.436 2.489 20 30 GEEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC1(C#N)CCOCC1 ZINC000824206809 609156288 /nfs/dbraw/zinc/15/62/88/609156288.db2.gz JHBXFEVTYNUBIR-MRXNPFEDSA-N -1 3 385.424 2.134 20 30 GEEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC1(C#N)CCOCC1 ZINC000824206809 609156289 /nfs/dbraw/zinc/15/62/89/609156289.db2.gz JHBXFEVTYNUBIR-MRXNPFEDSA-N -1 3 385.424 2.134 20 30 GEEDHM CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953723 609157200 /nfs/dbraw/zinc/15/72/00/609157200.db2.gz NDESIWVKEADTOX-UHFFFAOYSA-N -1 3 388.428 2.325 20 30 GEEDHM CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953723 609157201 /nfs/dbraw/zinc/15/72/01/609157201.db2.gz NDESIWVKEADTOX-UHFFFAOYSA-N -1 3 388.428 2.325 20 30 GEEDHM Cc1cc(C(=O)N(CCC#N)CC2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257844 609162168 /nfs/dbraw/zinc/16/21/68/609162168.db2.gz QFSSLTPEULNSOZ-UHFFFAOYSA-N -1 3 376.424 2.127 20 30 GEEDHM Cc1cc(C(=O)N(CCC#N)CC2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257844 609162169 /nfs/dbraw/zinc/16/21/69/609162169.db2.gz QFSSLTPEULNSOZ-UHFFFAOYSA-N -1 3 376.424 2.127 20 30 GEEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccccc1CC#N ZINC000826158338 609163043 /nfs/dbraw/zinc/16/30/43/609163043.db2.gz LFCAYJIEWNDPDC-UHFFFAOYSA-N -1 3 390.447 2.150 20 30 GEEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccccc1CC#N ZINC000826158338 609163045 /nfs/dbraw/zinc/16/30/45/609163045.db2.gz LFCAYJIEWNDPDC-UHFFFAOYSA-N -1 3 390.447 2.150 20 30 GEEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000824255365 609215026 /nfs/dbraw/zinc/21/50/26/609215026.db2.gz GXEKYMGSNFYGEY-LJQANCHMSA-N -1 3 390.447 2.457 20 30 GEEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000824255365 609215027 /nfs/dbraw/zinc/21/50/27/609215027.db2.gz GXEKYMGSNFYGEY-LJQANCHMSA-N -1 3 390.447 2.457 20 30 GEEDHM N#Cc1ccc(C2=CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826385095 609258883 /nfs/dbraw/zinc/25/88/83/609258883.db2.gz XADOBWJCSYJUAI-LJQANCHMSA-N -1 3 386.415 2.088 20 30 GEEDHM N#Cc1ccc(C2=CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385095 609258885 /nfs/dbraw/zinc/25/88/85/609258885.db2.gz XADOBWJCSYJUAI-LJQANCHMSA-N -1 3 386.415 2.088 20 30 GEEDHM C=CCNC(=O)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823919398 609270308 /nfs/dbraw/zinc/27/03/08/609270308.db2.gz DXTDUAIXZHNBDS-UHFFFAOYSA-N -1 3 393.407 2.083 20 30 GEEDHM C=CCNC(=O)CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823919398 609270309 /nfs/dbraw/zinc/27/03/09/609270309.db2.gz DXTDUAIXZHNBDS-UHFFFAOYSA-N -1 3 393.407 2.083 20 30 GEEDHM Cn1cc(CN=Nc2cncc(Cl)n2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360293 609304685 /nfs/dbraw/zinc/30/46/85/609304685.db2.gz FGGTWDYZELXEOM-UHFFFAOYSA-N -1 3 380.803 2.157 20 30 GEEDHM Cn1cc(CN=Nc2cncc(Cl)n2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360293 609304687 /nfs/dbraw/zinc/30/46/87/609304687.db2.gz FGGTWDYZELXEOM-UHFFFAOYSA-N -1 3 380.803 2.157 20 30 GEEDHM N#Cc1ccc(NC(=O)c2scnc2Br)cc1-c1nnn[n-]1 ZINC000826385221 609384867 /nfs/dbraw/zinc/38/48/67/609384867.db2.gz BWTQRVGSJZHYLD-UHFFFAOYSA-N -1 3 376.199 2.210 20 30 GEEDHM N#Cc1ccc(NC(=O)c2scnc2Br)cc1-c1nn[n-]n1 ZINC000826385221 609384869 /nfs/dbraw/zinc/38/48/69/609384869.db2.gz BWTQRVGSJZHYLD-UHFFFAOYSA-N -1 3 376.199 2.210 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H](Oc3ccc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000826385570 609435629 /nfs/dbraw/zinc/43/56/29/609435629.db2.gz RMLCKTINYXSMLY-QGZVFWFLSA-N -1 3 378.367 2.452 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H](Oc3ccc(-c4nn[n-]n4)cc3F)C2=O)cc1 ZINC000826385570 609435631 /nfs/dbraw/zinc/43/56/31/609435631.db2.gz RMLCKTINYXSMLY-QGZVFWFLSA-N -1 3 378.367 2.452 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H](OC(=O)c3cccc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000826385397 609459702 /nfs/dbraw/zinc/45/97/02/609459702.db2.gz KEJKYOOGYZERCY-QGZVFWFLSA-N -1 3 388.387 2.091 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H](OC(=O)c3cccc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000826385397 609459705 /nfs/dbraw/zinc/45/97/05/609459705.db2.gz KEJKYOOGYZERCY-QGZVFWFLSA-N -1 3 388.387 2.091 20 30 GEEDHM COc1cccc(O)c1C=N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826217217 609505144 /nfs/dbraw/zinc/50/51/44/609505144.db2.gz CGBBKLFKXXIGPN-IXGURIBZSA-N -1 3 392.419 2.195 20 30 GEEDHM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470536 609521127 /nfs/dbraw/zinc/52/11/27/609521127.db2.gz JHKBZFMBWWMLOS-CWTRNNRKSA-N -1 3 384.440 2.306 20 30 GEEDHM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470536 609521129 /nfs/dbraw/zinc/52/11/29/609521129.db2.gz JHKBZFMBWWMLOS-CWTRNNRKSA-N -1 3 384.440 2.306 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000824640742 609538064 /nfs/dbraw/zinc/53/80/64/609538064.db2.gz NWRBPHMJYJONBS-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000824640742 609538066 /nfs/dbraw/zinc/53/80/66/609538066.db2.gz NWRBPHMJYJONBS-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM Cc1ccnc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)c1-c1nnn[n-]1 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379.463 2.104 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]([C@H]2CCCO2)C2(CO)CCC2)c(Cl)c1 ZINC000368231234 532930896 /nfs/dbraw/zinc/93/08/96/532930896.db2.gz JPFWJBYJMNHYEK-ZBFHGGJFSA-N -1 3 384.885 2.200 20 30 GEEDHM N#CCCCS(=O)(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737686828 598877012 /nfs/dbraw/zinc/87/70/12/598877012.db2.gz MDVQJDQCZCKRPT-UHFFFAOYSA-N -1 3 388.478 2.318 20 30 GEEDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1ccc(OCC#N)cc1 ZINC000736036530 598885426 /nfs/dbraw/zinc/88/54/26/598885426.db2.gz CQGOKVVRCNQAAK-AWEZNQCLSA-N -1 3 393.403 2.322 20 30 GEEDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1ccc(OCC#N)cc1 ZINC000736036530 598885427 /nfs/dbraw/zinc/88/54/27/598885427.db2.gz CQGOKVVRCNQAAK-AWEZNQCLSA-N -1 3 393.403 2.322 20 30 GEEDHM COC(=O)[C@H](OC(=O)C=Cc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896821 598896042 /nfs/dbraw/zinc/89/60/42/598896042.db2.gz KDULORIJLONTDR-DOJUMQAQSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@H](OC(=O)C=Cc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896821 598896043 /nfs/dbraw/zinc/89/60/43/598896043.db2.gz KDULORIJLONTDR-DOJUMQAQSA-N -1 3 389.371 2.209 20 30 GEEDHM N#Cc1cc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)ccc1-c1nnn[n-]1 ZINC000737706232 598914020 /nfs/dbraw/zinc/91/40/20/598914020.db2.gz WPHADAVXSLGNMG-ZDUSSCGKSA-N -1 3 387.403 2.268 20 30 GEEDHM N#Cc1cc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)ccc1-c1nn[n-]n1 ZINC000737706232 598914021 /nfs/dbraw/zinc/91/40/21/598914021.db2.gz WPHADAVXSLGNMG-ZDUSSCGKSA-N -1 3 387.403 2.268 20 30 GEEDHM N#Cc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1-c1nnn[n-]1 ZINC000737716345 598915531 /nfs/dbraw/zinc/91/55/31/598915531.db2.gz PMIOOHVVSYNMAF-UHFFFAOYSA-N -1 3 392.404 2.421 20 30 GEEDHM N#Cc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1-c1nn[n-]n1 ZINC000737716345 598915533 /nfs/dbraw/zinc/91/55/33/598915533.db2.gz PMIOOHVVSYNMAF-UHFFFAOYSA-N -1 3 392.404 2.421 20 30 GEEDHM N#Cc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1-c1nnn[n-]1 ZINC000737716121 598915790 /nfs/dbraw/zinc/91/57/90/598915790.db2.gz LLHUXBSSIPSGPU-UHFFFAOYSA-N -1 3 388.416 2.438 20 30 GEEDHM N#Cc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1-c1nn[n-]n1 ZINC000737716121 598915791 /nfs/dbraw/zinc/91/57/91/598915791.db2.gz LLHUXBSSIPSGPU-UHFFFAOYSA-N -1 3 388.416 2.438 20 30 GEEDHM Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737549269 598916715 /nfs/dbraw/zinc/91/67/15/598916715.db2.gz VFKLHOMKVQIRDE-UHFFFAOYSA-N -1 3 375.348 2.476 20 30 GEEDHM Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737549269 598916717 /nfs/dbraw/zinc/91/67/17/598916717.db2.gz VFKLHOMKVQIRDE-UHFFFAOYSA-N -1 3 375.348 2.476 20 30 GEEDHM N#Cc1ccc(NC(=O)CCc2nnc(-c3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000737716316 598917337 /nfs/dbraw/zinc/91/73/37/598917337.db2.gz PBAIEPZLWOTNFG-UHFFFAOYSA-N -1 3 386.375 2.360 20 30 GEEDHM N#Cc1ccc(NC(=O)CCc2nnc(-c3ccccc3)o2)cc1-c1nn[n-]n1 ZINC000737716316 598917338 /nfs/dbraw/zinc/91/73/38/598917338.db2.gz PBAIEPZLWOTNFG-UHFFFAOYSA-N -1 3 386.375 2.360 20 30 GEEDHM CC(C)(C)c1noc(CCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)n1 ZINC000735654976 598922061 /nfs/dbraw/zinc/92/20/61/598922061.db2.gz MDDSTGPNKZPTRT-UHFFFAOYSA-N -1 3 380.412 2.380 20 30 GEEDHM CC(C)(C)c1noc(CCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)n1 ZINC000735654976 598922064 /nfs/dbraw/zinc/92/20/64/598922064.db2.gz MDDSTGPNKZPTRT-UHFFFAOYSA-N -1 3 380.412 2.380 20 30 GEEDHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000735499650 598924814 /nfs/dbraw/zinc/92/48/14/598924814.db2.gz QSJNFXBQIJKQOG-GFCCVEGCSA-N -1 3 376.376 2.347 20 30 GEEDHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000735499650 598924815 /nfs/dbraw/zinc/92/48/15/598924815.db2.gz QSJNFXBQIJKQOG-GFCCVEGCSA-N -1 3 376.376 2.347 20 30 GEEDHM N#Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1-c1nnn[n-]1 ZINC000737720129 598926307 /nfs/dbraw/zinc/92/63/07/598926307.db2.gz YUHZSVPPFIMQLL-UHFFFAOYSA-N -1 3 377.389 2.035 20 30 GEEDHM N#Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1-c1nn[n-]n1 ZINC000737720129 598926308 /nfs/dbraw/zinc/92/63/08/598926308.db2.gz YUHZSVPPFIMQLL-UHFFFAOYSA-N -1 3 377.389 2.035 20 30 GEEDHM COc1cc(C#N)ccc1OCCSc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC000737034302 598938642 /nfs/dbraw/zinc/93/86/42/598938642.db2.gz ICXAWDATNDSMHW-UHFFFAOYSA-N -1 3 383.437 2.325 20 30 GEEDHM COc1cc(C#N)ccc1OCCSc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000737034302 598938644 /nfs/dbraw/zinc/93/86/44/598938644.db2.gz ICXAWDATNDSMHW-UHFFFAOYSA-N -1 3 383.437 2.325 20 30 GEEDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000737297700 598954669 /nfs/dbraw/zinc/95/46/69/598954669.db2.gz YSWRZJUGSHHYGH-UHFFFAOYSA-N -1 3 394.460 2.400 20 30 GEEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000737297700 598954671 /nfs/dbraw/zinc/95/46/71/598954671.db2.gz YSWRZJUGSHHYGH-UHFFFAOYSA-N -1 3 394.460 2.400 20 30 GEEDHM Cc1c2c(nc(S[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)c1C#N)CCC2 ZINC000737203500 599011594 /nfs/dbraw/zinc/01/15/94/599011594.db2.gz UXTHQCGNFVTCLO-INIZCTEOSA-N -1 3 391.460 2.249 20 30 GEEDHM Cc1c2c(nc(S[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)c1C#N)CCC2 ZINC000737203500 599011596 /nfs/dbraw/zinc/01/15/96/599011596.db2.gz UXTHQCGNFVTCLO-INIZCTEOSA-N -1 3 391.460 2.249 20 30 GEEDHM Cn1cc(-c2csc(=NC3CC3)n2N=Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737593900 599033131 /nfs/dbraw/zinc/03/31/31/599033131.db2.gz VADGPBNURXCLFI-UHFFFAOYSA-N -1 3 391.464 2.076 20 30 GEEDHM Cn1cc(-c2csc(=NC3CC3)n2N=Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737593900 599033134 /nfs/dbraw/zinc/03/31/34/599033134.db2.gz VADGPBNURXCLFI-UHFFFAOYSA-N -1 3 391.464 2.076 20 30 GEEDHM C[C@@H]1Sc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cc2NC1=O ZINC000736302188 599112983 /nfs/dbraw/zinc/11/29/83/599112983.db2.gz QGTLOUCCPLVKNV-VIFPVBQESA-N -1 3 391.416 2.423 20 30 GEEDHM C[C@@H]1Sc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc2NC1=O ZINC000736302188 599112984 /nfs/dbraw/zinc/11/29/84/599112984.db2.gz QGTLOUCCPLVKNV-VIFPVBQESA-N -1 3 391.416 2.423 20 30 GEEDHM Cc1cccc2c1ncc(C#N)c2N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737410256 599122780 /nfs/dbraw/zinc/12/27/80/599122780.db2.gz QRTVOAZMTXASCA-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM Cc1cccc2c1ncc(C#N)c2N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737410256 599122782 /nfs/dbraw/zinc/12/27/82/599122782.db2.gz QRTVOAZMTXASCA-UHFFFAOYSA-N -1 3 397.446 2.317 20 30 GEEDHM N#C[C@@H](C(=O)Nc1cccc2ccccc21)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737675089 599152232 /nfs/dbraw/zinc/15/22/32/599152232.db2.gz YMPUIZDNQIDBKL-OAHLLOKOSA-N -1 3 383.371 2.376 20 30 GEEDHM CCCNC(=O)c1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000736487472 599191202 /nfs/dbraw/zinc/19/12/02/599191202.db2.gz IHRDDIVWNCBHRW-UHFFFAOYSA-N -1 3 375.392 2.130 20 30 GEEDHM CCCNC(=O)c1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000736487472 599191206 /nfs/dbraw/zinc/19/12/06/599191206.db2.gz IHRDDIVWNCBHRW-UHFFFAOYSA-N -1 3 375.392 2.130 20 30 GEEDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1[N+](=O)[O-] ZINC000737217273 599193945 /nfs/dbraw/zinc/19/39/45/599193945.db2.gz ABQXBRJKRLIVTN-UHFFFAOYSA-N -1 3 394.307 2.116 20 30 GEEDHM Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1[N+](=O)[O-] ZINC000737217273 599193948 /nfs/dbraw/zinc/19/39/48/599193948.db2.gz ABQXBRJKRLIVTN-UHFFFAOYSA-N -1 3 394.307 2.116 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737717238 599195678 /nfs/dbraw/zinc/19/56/78/599195678.db2.gz BHMNHHFWCBEXIE-SFHVURJKSA-N -1 3 384.403 2.218 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737717238 599195681 /nfs/dbraw/zinc/19/56/81/599195681.db2.gz BHMNHHFWCBEXIE-SFHVURJKSA-N -1 3 384.403 2.218 20 30 GEEDHM C=CC[C@@H](C)NC(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735409738 599213271 /nfs/dbraw/zinc/21/32/71/599213271.db2.gz JTTCSBHLOFJVTL-CYBMUJFWSA-N -1 3 383.456 2.191 20 30 GEEDHM C=CC[C@@H](C)NC(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735409738 599213274 /nfs/dbraw/zinc/21/32/74/599213274.db2.gz JTTCSBHLOFJVTL-CYBMUJFWSA-N -1 3 383.456 2.191 20 30 GEEDHM C=CCNc1ncc(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000819751473 607263203 /nfs/dbraw/zinc/26/32/03/607263203.db2.gz VPRPZNQFHHSNPS-SNVBAGLBSA-N -1 3 399.436 2.105 20 30 GEEDHM C=CCNc1ncc(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000819751473 607263204 /nfs/dbraw/zinc/26/32/04/607263204.db2.gz VPRPZNQFHHSNPS-SNVBAGLBSA-N -1 3 399.436 2.105 20 30 GEEDHM N#Cc1cnccc1NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737727865 599257670 /nfs/dbraw/zinc/25/76/70/599257670.db2.gz CWMZXHNVICYPJG-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM N#Cc1cnccc1NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737727865 599257673 /nfs/dbraw/zinc/25/76/73/599257673.db2.gz CWMZXHNVICYPJG-UHFFFAOYSA-N -1 3 397.398 2.387 20 30 GEEDHM COc1cccc([C@H](C#N)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1OC ZINC000737120876 598240257 /nfs/dbraw/zinc/24/02/57/598240257.db2.gz IJOOBDUVERCQIN-INIZCTEOSA-N -1 3 392.419 2.198 20 30 GEEDHM COc1cccc([C@H](C#N)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1OC ZINC000737120876 598240259 /nfs/dbraw/zinc/24/02/59/598240259.db2.gz IJOOBDUVERCQIN-INIZCTEOSA-N -1 3 392.419 2.198 20 30 GEEDHM Cc1ccc(NC(=O)[C@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)c(C)c1 ZINC000737355608 598273020 /nfs/dbraw/zinc/27/30/20/598273020.db2.gz JHUXZAPSZCDSDW-NSHDSACASA-N -1 3 394.464 2.452 20 30 GEEDHM Cc1ccc(NC(=O)[C@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)c(C)c1 ZINC000737355608 598273021 /nfs/dbraw/zinc/27/30/21/598273021.db2.gz JHUXZAPSZCDSDW-NSHDSACASA-N -1 3 394.464 2.452 20 30 GEEDHM NC(=O)c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737761169 598314894 /nfs/dbraw/zinc/31/48/94/598314894.db2.gz UXTDOGTYQOGRMJ-UHFFFAOYSA-N -1 3 375.314 2.430 20 30 GEEDHM NC(=O)c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737761169 598314896 /nfs/dbraw/zinc/31/48/96/598314896.db2.gz UXTDOGTYQOGRMJ-UHFFFAOYSA-N -1 3 375.314 2.430 20 30 GEEDHM CCOc1cccc(C=NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1O ZINC000736654956 598439179 /nfs/dbraw/zinc/43/91/79/598439179.db2.gz OCHFAKKOJRNLIL-MTJSOVHGSA-N -1 3 393.451 2.454 20 30 GEEDHM CCOc1cccc(C=NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1O ZINC000736654956 598439180 /nfs/dbraw/zinc/43/91/80/598439180.db2.gz OCHFAKKOJRNLIL-MTJSOVHGSA-N -1 3 393.451 2.454 20 30 GEEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000024380866 607360527 /nfs/dbraw/zinc/36/05/27/607360527.db2.gz HZYHJZCCXRTICU-SFHVURJKSA-N -1 3 391.410 2.028 20 30 GEEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000024380866 607360529 /nfs/dbraw/zinc/36/05/29/607360529.db2.gz HZYHJZCCXRTICU-SFHVURJKSA-N -1 3 391.410 2.028 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccn(-c2ccccc2)n1 ZINC000737705765 598569654 /nfs/dbraw/zinc/56/96/54/598569654.db2.gz QUPHQHFNNNWADY-UHFFFAOYSA-N -1 3 375.421 2.194 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccn(-c2ccccc2)n1 ZINC000737705765 598569656 /nfs/dbraw/zinc/56/96/56/598569656.db2.gz QUPHQHFNNNWADY-UHFFFAOYSA-N -1 3 375.421 2.194 20 30 GEEDHM COC[C@@](C)(C#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821680851 607358775 /nfs/dbraw/zinc/35/87/75/607358775.db2.gz WJUABAZPPIWJQW-LJQANCHMSA-N -1 3 377.408 2.269 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737717323 598582475 /nfs/dbraw/zinc/58/24/75/598582475.db2.gz BZZXUMAPFHWFFS-QGZVFWFLSA-N -1 3 377.383 2.485 20 30 GEEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737717323 598582476 /nfs/dbraw/zinc/58/24/76/598582476.db2.gz BZZXUMAPFHWFFS-QGZVFWFLSA-N -1 3 377.383 2.485 20 30 GEEDHM Cc1c(C(=O)C=Cc2ccccc2-n2cncn2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201691 598638928 /nfs/dbraw/zinc/63/89/28/598638928.db2.gz HCQYJFKZAAQNJV-HJWRWDBZSA-N -1 3 386.419 2.400 20 30 GEEDHM Cc1c(C(=O)C=Cc2ccccc2-n2cncn2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201691 598638930 /nfs/dbraw/zinc/63/89/30/598638930.db2.gz HCQYJFKZAAQNJV-HJWRWDBZSA-N -1 3 386.419 2.400 20 30 GEEDHM Cc1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)n(CCC#N)n1 ZINC000737270419 598656202 /nfs/dbraw/zinc/65/62/02/598656202.db2.gz GZYBZDHAHDVLQG-UHFFFAOYSA-N -1 3 394.439 2.473 20 30 GEEDHM Cc1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)n(CCC#N)n1 ZINC000737270419 598656203 /nfs/dbraw/zinc/65/62/03/598656203.db2.gz GZYBZDHAHDVLQG-UHFFFAOYSA-N -1 3 394.439 2.473 20 30 GEEDHM C=C(Br)CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735398531 598683832 /nfs/dbraw/zinc/68/38/32/598683832.db2.gz ILBNWUQCIWBYIY-UHFFFAOYSA-N -1 3 380.246 2.441 20 30 GEEDHM C=C(Br)CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735398531 598683834 /nfs/dbraw/zinc/68/38/34/598683834.db2.gz ILBNWUQCIWBYIY-UHFFFAOYSA-N -1 3 380.246 2.441 20 30 GEEDHM N#CC1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000737679876 598687378 /nfs/dbraw/zinc/68/73/78/598687378.db2.gz TWBNULXKHADIAB-UHFFFAOYSA-N -1 3 375.392 2.430 20 30 GEEDHM N#CC1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000737679876 598687379 /nfs/dbraw/zinc/68/73/79/598687379.db2.gz TWBNULXKHADIAB-UHFFFAOYSA-N -1 3 375.392 2.430 20 30 GEEDHM C=CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CC1 ZINC000735409720 598710651 /nfs/dbraw/zinc/71/06/51/598710651.db2.gz JJRPOFQHUISSKT-UHFFFAOYSA-N -1 3 387.387 2.472 20 30 GEEDHM C=CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000735409720 598710652 /nfs/dbraw/zinc/71/06/52/598710652.db2.gz JJRPOFQHUISSKT-UHFFFAOYSA-N -1 3 387.387 2.472 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccc(Br)cn1 ZINC000737703885 598752731 /nfs/dbraw/zinc/75/27/31/598752731.db2.gz CHFVDPABOWDRSD-UHFFFAOYSA-N -1 3 389.242 2.165 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccc(Br)cn1 ZINC000737703885 598752732 /nfs/dbraw/zinc/75/27/32/598752732.db2.gz CHFVDPABOWDRSD-UHFFFAOYSA-N -1 3 389.242 2.165 20 30 GEEDHM C=CCN(CC1CCCCC1)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735416699 598758256 /nfs/dbraw/zinc/75/82/56/598758256.db2.gz OZINMIVLINHRAC-UHFFFAOYSA-N -1 3 382.468 2.191 20 30 GEEDHM C=CCN(CC1CCCCC1)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735416699 598758258 /nfs/dbraw/zinc/75/82/58/598758258.db2.gz OZINMIVLINHRAC-UHFFFAOYSA-N -1 3 382.468 2.191 20 30 GEEDHM C=CCOc1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1OC ZINC000735436320 598802830 /nfs/dbraw/zinc/80/28/30/598802830.db2.gz IYCMYPWSRBQQLH-WEVVVXLNSA-N -1 3 378.392 2.487 20 30 GEEDHM C=CCOc1ccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1OC ZINC000735436320 598802832 /nfs/dbraw/zinc/80/28/32/598802832.db2.gz IYCMYPWSRBQQLH-WEVVVXLNSA-N -1 3 378.392 2.487 20 30 GEEDHM S=C(NCCc1ccccn1)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823731686 599340840 /nfs/dbraw/zinc/34/08/40/599340840.db2.gz BWJOKWBMQJJEGS-UHFFFAOYSA-N -1 3 392.492 2.009 20 30 GEEDHM S=C(NCCc1ccccn1)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823731686 599340841 /nfs/dbraw/zinc/34/08/41/599340841.db2.gz BWJOKWBMQJJEGS-UHFFFAOYSA-N -1 3 392.492 2.009 20 30 GEEDHM N#Cc1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cc1 ZINC000822825893 599461235 /nfs/dbraw/zinc/46/12/35/599461235.db2.gz QNHYPVYNQUFQOD-UHFFFAOYSA-N -1 3 375.436 2.312 20 30 GEEDHM N#Cc1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)cc1 ZINC000822825893 599461236 /nfs/dbraw/zinc/46/12/36/599461236.db2.gz QNHYPVYNQUFQOD-UHFFFAOYSA-N -1 3 375.436 2.312 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826257383 607381918 /nfs/dbraw/zinc/38/19/18/607381918.db2.gz ZXKQZOBMXFBSNE-UHFFFAOYSA-N -1 3 387.359 2.454 20 30 GEEDHM Cc1cc(C#N)ccc1C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826257383 607381920 /nfs/dbraw/zinc/38/19/20/607381920.db2.gz ZXKQZOBMXFBSNE-UHFFFAOYSA-N -1 3 387.359 2.454 20 30 GEEDHM C=C(C)CN(CC)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1CCCOC ZINC000735399116 599583562 /nfs/dbraw/zinc/58/35/62/599583562.db2.gz PJPMZTQMLXEUQY-UHFFFAOYSA-N -1 3 389.504 2.158 20 30 GEEDHM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000819743169 599602275 /nfs/dbraw/zinc/60/22/75/599602275.db2.gz DMVSBLJNBGAPHU-UHFFFAOYSA-N -1 3 390.447 2.371 20 30 GEEDHM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000819743169 599602277 /nfs/dbraw/zinc/60/22/77/599602277.db2.gz DMVSBLJNBGAPHU-UHFFFAOYSA-N -1 3 390.447 2.371 20 30 GEEDHM COc1ccc(CN2CCN([C@H](C#N)c3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000821794433 607387535 /nfs/dbraw/zinc/38/75/35/607387535.db2.gz GSNMQILEQHSLSH-LJQANCHMSA-N -1 3 389.463 2.258 20 30 GEEDHM COc1ccc(CN2CCN([C@H](C#N)c3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000821794433 607387537 /nfs/dbraw/zinc/38/75/37/607387537.db2.gz GSNMQILEQHSLSH-LJQANCHMSA-N -1 3 389.463 2.258 20 30 GEEDHM C#CCn1c(-c2cccc(-c3nnn[n-]3)c2)csc1=Nc1cnn(CC)c1 ZINC000823861905 607429486 /nfs/dbraw/zinc/42/94/86/607429486.db2.gz SQLHZOYRZVKFMB-UHFFFAOYSA-N -1 3 376.449 2.479 20 30 GEEDHM C#CCn1c(-c2cccc(-c3nn[n-]n3)c2)csc1=Nc1cnn(CC)c1 ZINC000823861905 607429488 /nfs/dbraw/zinc/42/94/88/607429488.db2.gz SQLHZOYRZVKFMB-UHFFFAOYSA-N -1 3 376.449 2.479 20 30 GEEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000739107638 600567452 /nfs/dbraw/zinc/56/74/52/600567452.db2.gz YKTYWODKLHULJH-MRXNPFEDSA-N -1 3 385.386 2.271 20 30 GEEDHM CN(C)C(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821578091 607459659 /nfs/dbraw/zinc/45/96/59/607459659.db2.gz NHFFBKJEBVSFKY-HJWRWDBZSA-N -1 3 395.394 2.369 20 30 GEEDHM CN(C)C(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821578091 607459660 /nfs/dbraw/zinc/45/96/60/607459660.db2.gz NHFFBKJEBVSFKY-HJWRWDBZSA-N -1 3 395.394 2.369 20 30 GEEDHM Clc1ccccc1C#CCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826353430 607489447 /nfs/dbraw/zinc/48/94/47/607489447.db2.gz OSWJUINTPDXYLR-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM Clc1ccccc1C#CCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826353430 607489448 /nfs/dbraw/zinc/48/94/48/607489448.db2.gz OSWJUINTPDXYLR-UHFFFAOYSA-N -1 3 379.855 2.089 20 30 GEEDHM C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823845428 607571878 /nfs/dbraw/zinc/57/18/78/607571878.db2.gz RQWCWUDWPMVJIQ-UHFFFAOYSA-N -1 3 394.410 2.359 20 30 GEEDHM C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823845428 607571880 /nfs/dbraw/zinc/57/18/80/607571880.db2.gz RQWCWUDWPMVJIQ-UHFFFAOYSA-N -1 3 394.410 2.359 20 30 GEEDHM C=CCOc1ccc(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC ZINC000823932304 607578944 /nfs/dbraw/zinc/57/89/44/607578944.db2.gz UAHGGEWWGJXTKG-UHFFFAOYSA-N -1 3 395.419 2.379 20 30 GEEDHM C=CCOc1ccc(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OC ZINC000823932304 607578946 /nfs/dbraw/zinc/57/89/46/607578946.db2.gz UAHGGEWWGJXTKG-UHFFFAOYSA-N -1 3 395.419 2.379 20 30 GEEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000739606022 602969814 /nfs/dbraw/zinc/96/98/14/602969814.db2.gz MREDIUDZWYYJEO-SFHVURJKSA-N -1 3 387.484 2.164 20 30 GEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826383668 607612126 /nfs/dbraw/zinc/61/21/26/607612126.db2.gz LBQXLGYFMUVYKT-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826383668 607612128 /nfs/dbraw/zinc/61/21/28/607612128.db2.gz LBQXLGYFMUVYKT-UHFFFAOYSA-N -1 3 379.760 2.299 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000823909559 607622940 /nfs/dbraw/zinc/62/29/40/607622940.db2.gz JBNWMSHYKNATGG-KRWDZBQOSA-N -1 3 392.467 2.338 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000823909559 607622942 /nfs/dbraw/zinc/62/29/42/607622942.db2.gz JBNWMSHYKNATGG-KRWDZBQOSA-N -1 3 392.467 2.338 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCOc1ncccc1F ZINC000823909770 607628233 /nfs/dbraw/zinc/62/82/33/607628233.db2.gz QHKLXGUUIFNAGR-UHFFFAOYSA-N -1 3 397.414 2.177 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCOc1ncccc1F ZINC000823909770 607628235 /nfs/dbraw/zinc/62/82/35/607628235.db2.gz QHKLXGUUIFNAGR-UHFFFAOYSA-N -1 3 397.414 2.177 20 30 GEEDHM COC[C@H](C)N=c1scc(C)n1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000826149068 607633713 /nfs/dbraw/zinc/63/37/13/607633713.db2.gz YHZXWAMXBXGWJV-NSHDSACASA-N -1 3 396.480 2.337 20 30 GEEDHM COC[C@H](C)N=c1scc(C)n1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000826149068 607633715 /nfs/dbraw/zinc/63/37/15/607633715.db2.gz YHZXWAMXBXGWJV-NSHDSACASA-N -1 3 396.480 2.337 20 30 GEEDHM CN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC(C)(C)CNC(=O)[O-] ZINC000828170103 603631183 /nfs/dbraw/zinc/63/11/83/603631183.db2.gz RXLBKVLIURXXNV-CQSZACIVSA-N -1 3 381.436 2.449 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824641196 607656987 /nfs/dbraw/zinc/65/69/87/607656987.db2.gz SYPLRIYBRMPLQE-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824641196 607656989 /nfs/dbraw/zinc/65/69/89/607656989.db2.gz SYPLRIYBRMPLQE-SNVBAGLBSA-N -1 3 388.840 2.431 20 30 GEEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc1OC ZINC000829442893 604221837 /nfs/dbraw/zinc/22/18/37/604221837.db2.gz SPCIYHDSXXCNAP-YRGRVCCFSA-N -1 3 389.408 2.178 20 30 GEEDHM N#C[C@@H]1CSCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444357868 649947599 /nfs/dbraw/zinc/94/75/99/649947599.db2.gz QKZSOBLCAGXWNA-SNVBAGLBSA-N -1 3 378.251 2.372 20 30 GEEDHM N#CCC[C@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000826381564 607708458 /nfs/dbraw/zinc/70/84/58/607708458.db2.gz QEMALDUNCFTDDF-INIZCTEOSA-N -1 3 391.439 2.018 20 30 GEEDHM N#CCC[C@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000826381564 607708460 /nfs/dbraw/zinc/70/84/60/607708460.db2.gz QEMALDUNCFTDDF-INIZCTEOSA-N -1 3 391.439 2.018 20 30 GEEDHM N#CC(C(=O)CC[C@@H]1CCCN1C(=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000833962275 605492062 /nfs/dbraw/zinc/49/20/62/605492062.db2.gz YLAVOFIOZDPANE-KBPBESRZSA-N -1 3 387.392 2.028 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)CCN[C@H](CNC(=O)[O-])C2CCCCC2)cc1 ZINC000833977920 605666948 /nfs/dbraw/zinc/66/69/48/605666948.db2.gz VJYMTTDQNQMIKP-QGZVFWFLSA-N -1 3 379.482 2.138 20 30 GEEDHM Cc1sc(NC(=O)CN(C)Cc2ccc(-c3nnn[n-]3)cc2)c(C#N)c1C ZINC000822557063 606200869 /nfs/dbraw/zinc/20/08/69/606200869.db2.gz GGGNEMCNMAIAGP-UHFFFAOYSA-N -1 3 381.465 2.487 20 30 GEEDHM Cc1sc(NC(=O)CN(C)Cc2ccc(-c3nn[n-]n3)cc2)c(C#N)c1C ZINC000822557063 606200870 /nfs/dbraw/zinc/20/08/70/606200870.db2.gz GGGNEMCNMAIAGP-UHFFFAOYSA-N -1 3 381.465 2.487 20 30 GEEDHM C[C@]1(CCc2ccccc2)NC(=O)N(N=Cc2cc(-c3nnn[n-]3)cs2)C1=O ZINC000820612266 606203999 /nfs/dbraw/zinc/20/39/99/606203999.db2.gz CRHUJPOYOVABFD-GOSISDBHSA-N -1 3 395.448 2.205 20 30 GEEDHM C[C@]1(CCc2ccccc2)NC(=O)N(N=Cc2cc(-c3nn[n-]n3)cs2)C1=O ZINC000820612266 606204000 /nfs/dbraw/zinc/20/40/00/606204000.db2.gz CRHUJPOYOVABFD-GOSISDBHSA-N -1 3 395.448 2.205 20 30 GEEDHM C#CCOc1ccc(F)cc1N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000819709874 606249818 /nfs/dbraw/zinc/24/98/18/606249818.db2.gz SECQHLLFQOAUPW-CYBMUJFWSA-N -1 3 398.423 2.297 20 30 GEEDHM C#CCOc1ccc(F)cc1N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000819709874 606249819 /nfs/dbraw/zinc/24/98/19/606249819.db2.gz SECQHLLFQOAUPW-CYBMUJFWSA-N -1 3 398.423 2.297 20 30 GEEDHM CN(C)S(=O)(=O)c1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821588547 606303167 /nfs/dbraw/zinc/30/31/67/606303167.db2.gz XXQPGRMCRJQCTF-VMPITWQZSA-N -1 3 389.462 2.075 20 30 GEEDHM CN(C)S(=O)(=O)c1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821588547 606303169 /nfs/dbraw/zinc/30/31/69/606303169.db2.gz XXQPGRMCRJQCTF-VMPITWQZSA-N -1 3 389.462 2.075 20 30 GEEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000821613328 606315925 /nfs/dbraw/zinc/31/59/25/606315925.db2.gz IFZHZPPDCGCOLN-OAHLLOKOSA-N -1 3 379.449 2.037 20 30 GEEDHM N#Cc1csc(C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000822842746 606537369 /nfs/dbraw/zinc/53/73/69/606537369.db2.gz WPMZNGJBXCGVKE-UHFFFAOYSA-N -1 3 379.449 2.152 20 30 GEEDHM N#Cc1csc(C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000822842746 606537371 /nfs/dbraw/zinc/53/73/71/606537371.db2.gz WPMZNGJBXCGVKE-UHFFFAOYSA-N -1 3 379.449 2.152 20 30 GEEDHM N#CCCN(C(=O)COC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000822806637 606564801 /nfs/dbraw/zinc/56/48/01/606564801.db2.gz QMZPXWOBJFULHF-UHFFFAOYSA-N -1 3 382.405 2.032 20 30 GEEDHM N#CCCN(C(=O)COC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000822806637 606564803 /nfs/dbraw/zinc/56/48/03/606564803.db2.gz QMZPXWOBJFULHF-UHFFFAOYSA-N -1 3 382.405 2.032 20 30 GEEDHM Cc1cc(F)c(C(=O)CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1F ZINC000822202219 606627103 /nfs/dbraw/zinc/62/71/03/606627103.db2.gz QEZDFBZLUBRYCV-UHFFFAOYSA-N -1 3 387.375 2.277 20 30 GEEDHM Cc1cc(F)c(C(=O)CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1F ZINC000822202219 606627104 /nfs/dbraw/zinc/62/71/04/606627104.db2.gz QEZDFBZLUBRYCV-UHFFFAOYSA-N -1 3 387.375 2.277 20 30 GEEDHM CC(C)C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)N1CCCCC1=O ZINC000820051302 606680650 /nfs/dbraw/zinc/68/06/50/606680650.db2.gz MMPFZOIRYFPWJC-MRXNPFEDSA-N -1 3 381.440 2.104 20 30 GEEDHM CC(C)C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)N1CCCCC1=O ZINC000820051302 606680651 /nfs/dbraw/zinc/68/06/51/606680651.db2.gz MMPFZOIRYFPWJC-MRXNPFEDSA-N -1 3 381.440 2.104 20 30 GEEDHM C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820502803 606757957 /nfs/dbraw/zinc/75/79/57/606757957.db2.gz WAVNBAQEHIWJOG-SECBINFHSA-N -1 3 398.329 2.201 20 30 GEEDHM C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820502803 606757958 /nfs/dbraw/zinc/75/79/58/606757958.db2.gz WAVNBAQEHIWJOG-SECBINFHSA-N -1 3 398.329 2.201 20 30 GEEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000821763040 606771039 /nfs/dbraw/zinc/77/10/39/606771039.db2.gz TXYVJFCCAAISOL-UHFFFAOYSA-N -1 3 378.396 2.218 20 30 GEEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000821763040 606771040 /nfs/dbraw/zinc/77/10/40/606771040.db2.gz TXYVJFCCAAISOL-UHFFFAOYSA-N -1 3 378.396 2.218 20 30 GEEDHM COC[C@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821680635 606775363 /nfs/dbraw/zinc/77/53/63/606775363.db2.gz PDYXUZMMIYZYEQ-IBGZPJMESA-N -1 3 378.392 2.317 20 30 GEEDHM COC[C@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821680635 606775365 /nfs/dbraw/zinc/77/53/65/606775365.db2.gz PDYXUZMMIYZYEQ-IBGZPJMESA-N -1 3 378.392 2.317 20 30 GEEDHM C=C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819729837 606837158 /nfs/dbraw/zinc/83/71/58/606837158.db2.gz NKLFSOJKFANSRL-LBPRGKRZSA-N -1 3 378.392 2.288 20 30 GEEDHM C=C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000819729837 606837160 /nfs/dbraw/zinc/83/71/60/606837160.db2.gz NKLFSOJKFANSRL-LBPRGKRZSA-N -1 3 378.392 2.288 20 30 GEEDHM C#Cc1cccc(N(CC)S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000819709852 606865307 /nfs/dbraw/zinc/86/53/07/606865307.db2.gz RPMDWRFFKOLMKP-UHFFFAOYSA-N -1 3 389.387 2.341 20 30 GEEDHM C#Cc1cccc(N(CC)S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000819709852 606865309 /nfs/dbraw/zinc/86/53/09/606865309.db2.gz RPMDWRFFKOLMKP-UHFFFAOYSA-N -1 3 389.387 2.341 20 30 GEEDHM CC(C)[C@](C)(C#N)NC(=O)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000820015925 607042084 /nfs/dbraw/zinc/04/20/84/607042084.db2.gz IDIBQIARVUDZTG-HNNXBMFYSA-N -1 3 393.245 2.062 20 30 GEEDHM CC(C)[C@](C)(C#N)NC(=O)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000820015925 607042086 /nfs/dbraw/zinc/04/20/86/607042086.db2.gz IDIBQIARVUDZTG-HNNXBMFYSA-N -1 3 393.245 2.062 20 30 GEEDHM C=CCN(CC(=O)Nc1nnc(C(C)C)s1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819740060 607100912 /nfs/dbraw/zinc/10/09/12/607100912.db2.gz NBDLFQRINXCNIX-UHFFFAOYSA-N -1 3 398.496 2.468 20 30 GEEDHM C=CCN(CC(=O)Nc1nnc(C(C)C)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819740060 607100913 /nfs/dbraw/zinc/10/09/13/607100913.db2.gz NBDLFQRINXCNIX-UHFFFAOYSA-N -1 3 398.496 2.468 20 30 GEEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820555292 607156851 /nfs/dbraw/zinc/15/68/51/607156851.db2.gz ILVYPWNWZUBKHR-SNVBAGLBSA-N -1 3 390.436 2.150 20 30 GEEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820555292 607156852 /nfs/dbraw/zinc/15/68/52/607156852.db2.gz ILVYPWNWZUBKHR-SNVBAGLBSA-N -1 3 390.436 2.150 20 30 GEEDHM CCC(CC)CN(CCC#N)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825106404 607828627 /nfs/dbraw/zinc/82/86/27/607828627.db2.gz BPFQZJXWZDLTOA-UHFFFAOYSA-N -1 3 390.513 2.292 20 30 GEEDHM CCC(CC)CN(CCC#N)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825106404 607828628 /nfs/dbraw/zinc/82/86/28/607828628.db2.gz BPFQZJXWZDLTOA-UHFFFAOYSA-N -1 3 390.513 2.292 20 30 GEEDHM C[C@H](C#N)CN(CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C1CC1 ZINC000824033733 607831275 /nfs/dbraw/zinc/83/12/75/607831275.db2.gz ADIGZPOSYDGNCD-LLVKDONJSA-N -1 3 385.497 2.370 20 30 GEEDHM C[C@H](C#N)CN(CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)C1CC1 ZINC000824033733 607831276 /nfs/dbraw/zinc/83/12/76/607831276.db2.gz ADIGZPOSYDGNCD-LLVKDONJSA-N -1 3 385.497 2.370 20 30 GEEDHM C=CCCOc1c(I)cc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000823899173 607862782 /nfs/dbraw/zinc/86/27/82/607862782.db2.gz OGFFTDYHNNGZPV-UHFFFAOYSA-N -1 3 387.137 2.334 20 30 GEEDHM C=CCCOc1c(I)cc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823899173 607862783 /nfs/dbraw/zinc/86/27/83/607862783.db2.gz OGFFTDYHNNGZPV-UHFFFAOYSA-N -1 3 387.137 2.334 20 30 GEEDHM CN(C)S(=O)(=O)c1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000825875140 607884219 /nfs/dbraw/zinc/88/42/19/607884219.db2.gz ALSCOPMPJKNEBG-ZHACJKMWSA-N -1 3 383.433 2.013 20 30 GEEDHM CN(C)S(=O)(=O)c1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000825875140 607884220 /nfs/dbraw/zinc/88/42/20/607884220.db2.gz ALSCOPMPJKNEBG-ZHACJKMWSA-N -1 3 383.433 2.013 20 30 GEEDHM Brc1cn2ccnc2c(N=NCc2ccccc2-c2nnn[n-]2)n1 ZINC000823832537 607888903 /nfs/dbraw/zinc/88/89/03/607888903.db2.gz QHUZNNWDCAYABC-UHFFFAOYSA-N -1 3 384.201 2.118 20 30 GEEDHM Brc1cn2ccnc2c(N=NCc2ccccc2-c2nn[n-]n2)n1 ZINC000823832537 607888904 /nfs/dbraw/zinc/88/89/04/607888904.db2.gz QHUZNNWDCAYABC-UHFFFAOYSA-N -1 3 384.201 2.118 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)c(Cl)c1 ZINC000826386132 608001999 /nfs/dbraw/zinc/00/19/99/608001999.db2.gz QENXRXWSEPCPQW-UHFFFAOYSA-N -1 3 393.787 2.440 20 30 GEEDHM N#Cc1ccc(OS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c(Cl)c1 ZINC000826386132 608002000 /nfs/dbraw/zinc/00/20/00/608002000.db2.gz QENXRXWSEPCPQW-UHFFFAOYSA-N -1 3 393.787 2.440 20 30 GEEDHM N#Cc1ccc(NCCNc2ccc(-c3nnn[n-]3)cn2)c(Br)c1 ZINC000826385603 608048271 /nfs/dbraw/zinc/04/82/71/608048271.db2.gz SVBULYSXMCJHOK-UHFFFAOYSA-N -1 3 385.229 2.420 20 30 GEEDHM N#Cc1ccc(NCCNc2ccc(-c3nn[n-]n3)cn2)c(Br)c1 ZINC000826385603 608048272 /nfs/dbraw/zinc/04/82/72/608048272.db2.gz SVBULYSXMCJHOK-UHFFFAOYSA-N -1 3 385.229 2.420 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823878168 608066179 /nfs/dbraw/zinc/06/61/79/608066179.db2.gz RYKBDQSUHCOLKA-MAUKXSAKSA-N -1 3 384.484 2.053 20 30 GEEDHM C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823878168 608066180 /nfs/dbraw/zinc/06/61/80/608066180.db2.gz RYKBDQSUHCOLKA-MAUKXSAKSA-N -1 3 384.484 2.053 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CCO2)c1 ZINC000826386943 608083222 /nfs/dbraw/zinc/08/32/22/608083222.db2.gz ZEBMXQGSFQKQMH-INIZCTEOSA-N -1 3 396.357 2.230 20 30 GEEDHM N#Cc1cccc([C@@H]2CN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CCO2)c1 ZINC000826386943 608083223 /nfs/dbraw/zinc/08/32/23/608083223.db2.gz ZEBMXQGSFQKQMH-INIZCTEOSA-N -1 3 396.357 2.230 20 30 GEEDHM CON=Cc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826166378 608089557 /nfs/dbraw/zinc/08/95/57/608089557.db2.gz HWHCAZBDYUKXKE-SFHVURJKSA-N -1 3 392.419 2.061 20 30 GEEDHM CON=Cc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826166378 608089558 /nfs/dbraw/zinc/08/95/58/608089558.db2.gz HWHCAZBDYUKXKE-SFHVURJKSA-N -1 3 392.419 2.061 20 30 GEEDHM C=CCN(Cc1cc(-c2nnn[n-]2)ccc1OC)S(=O)(=O)c1cccs1 ZINC000823909598 608149927 /nfs/dbraw/zinc/14/99/27/608149927.db2.gz KQZPFAPFFZQUCD-UHFFFAOYSA-N -1 3 391.478 2.314 20 30 GEEDHM C=CCN(Cc1cc(-c2nn[n-]n2)ccc1OC)S(=O)(=O)c1cccs1 ZINC000823909598 608149929 /nfs/dbraw/zinc/14/99/29/608149929.db2.gz KQZPFAPFFZQUCD-UHFFFAOYSA-N -1 3 391.478 2.314 20 30 GEEDHM N#Cc1ccc(OCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826386008 608163394 /nfs/dbraw/zinc/16/33/94/608163394.db2.gz LDHDVXIXCPOARH-UHFFFAOYSA-N -1 3 399.754 2.317 20 30 GEEDHM N#Cc1ccc(OCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826386008 608163396 /nfs/dbraw/zinc/16/33/96/608163396.db2.gz LDHDVXIXCPOARH-UHFFFAOYSA-N -1 3 399.754 2.317 20 30 GEEDHM N#CCc1ccc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cc1 ZINC000826381909 608189994 /nfs/dbraw/zinc/18/99/94/608189994.db2.gz FJDMNDKHXYDGNV-UHFFFAOYSA-N -1 3 384.403 2.253 20 30 GEEDHM N#CCc1ccc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cc1 ZINC000826381909 608189996 /nfs/dbraw/zinc/18/99/96/608189996.db2.gz FJDMNDKHXYDGNV-UHFFFAOYSA-N -1 3 384.403 2.253 20 30 GEEDHM C=C(C)[C@H](CC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)OCC ZINC000823873556 608192845 /nfs/dbraw/zinc/19/28/45/608192845.db2.gz NDAISKBGMRRNOD-INIZCTEOSA-N -1 3 381.440 2.244 20 30 GEEDHM C=C(C)[C@H](CC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)OCC ZINC000823873556 608192847 /nfs/dbraw/zinc/19/28/47/608192847.db2.gz NDAISKBGMRRNOD-INIZCTEOSA-N -1 3 381.440 2.244 20 30 GEEDHM COc1cc(C#N)ccc1COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826177128 608348932 /nfs/dbraw/zinc/34/89/32/608348932.db2.gz SIUQLXDGKMIHEH-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1cc(C#N)ccc1COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826177128 608348933 /nfs/dbraw/zinc/34/89/33/608348933.db2.gz SIUQLXDGKMIHEH-LBPRGKRZSA-N -1 3 379.376 2.258 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1cccnc1Cl ZINC000823910007 608350996 /nfs/dbraw/zinc/35/09/96/608350996.db2.gz VTIIMLHXXJSZGB-UHFFFAOYSA-N -1 3 397.826 2.068 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1cccnc1Cl ZINC000823910007 608350998 /nfs/dbraw/zinc/35/09/98/608350998.db2.gz VTIIMLHXXJSZGB-UHFFFAOYSA-N -1 3 397.826 2.068 20 30 GEEDHM N#Cc1ccc(C2=CCN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826384954 608464367 /nfs/dbraw/zinc/46/43/67/608464367.db2.gz RCLQZOIAYBOFFK-UHFFFAOYSA-N -1 3 385.431 2.466 20 30 GEEDHM N#Cc1ccc(C2=CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826384954 608464368 /nfs/dbraw/zinc/46/43/68/608464368.db2.gz RCLQZOIAYBOFFK-UHFFFAOYSA-N -1 3 385.431 2.466 20 30 GEEDHM N#CCCn1ccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826382329 608472749 /nfs/dbraw/zinc/47/27/49/608472749.db2.gz YTYVCIBVYAKHAL-UHFFFAOYSA-N -1 3 389.423 2.298 20 30 GEEDHM N#CCCn1ccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826382329 608472751 /nfs/dbraw/zinc/47/27/51/608472751.db2.gz YTYVCIBVYAKHAL-UHFFFAOYSA-N -1 3 389.423 2.298 20 30 GEEDHM COc1cc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(OC)cc1O ZINC000826177770 608536256 /nfs/dbraw/zinc/53/62/56/608536256.db2.gz UTLSLJIKCKICDW-UHFFFAOYSA-N -1 3 389.803 2.474 20 30 GEEDHM COc1cc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(OC)cc1O ZINC000826177770 608536257 /nfs/dbraw/zinc/53/62/57/608536257.db2.gz UTLSLJIKCKICDW-UHFFFAOYSA-N -1 3 389.803 2.474 20 30 GEEDHM Cc1cc(C(=O)N2CCSC[C@@H]2C#N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258721 608564472 /nfs/dbraw/zinc/56/44/72/608564472.db2.gz UGDZBSQPGMSYAT-INIZCTEOSA-N -1 3 393.476 2.355 20 30 GEEDHM C=CCCO[C@@H](C)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823898839 608602417 /nfs/dbraw/zinc/60/24/17/608602417.db2.gz DMMSSIGENFEDAR-JEYLPNPQSA-N -1 3 386.456 2.049 20 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Cn1nc(C(F)(F)F)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000826366258 609374405 /nfs/dbraw/zinc/37/44/05/609374405.db2.gz ZMHRCTWXRYAIMS-UHFFFAOYSA-N -1 3 384.753 2.396 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000823914180 609449672 /nfs/dbraw/zinc/44/96/72/609449672.db2.gz CLDDZQAXRBNOLF-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000823914180 609449673 /nfs/dbraw/zinc/44/96/73/609449673.db2.gz CLDDZQAXRBNOLF-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM N#Cc1cccc(NC(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c1 ZINC000826387367 609453833 /nfs/dbraw/zinc/45/38/33/609453833.db2.gz RSJLDTVGQIGNMW-UHFFFAOYSA-N -1 3 385.391 2.450 20 30 GEEDHM N#Cc1cccc(NC(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1 ZINC000826387367 609453836 /nfs/dbraw/zinc/45/38/36/609453836.db2.gz RSJLDTVGQIGNMW-UHFFFAOYSA-N -1 3 385.391 2.450 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000823909564 609498876 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COc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000826176432 609534717 /nfs/dbraw/zinc/53/47/17/609534717.db2.gz PHCGUUNBAPWUPB-UHFFFAOYSA-N -1 3 391.796 2.168 20 30 GEEDHM Cc1ccnc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1-c1nnn[n-]1 ZINC000826310414 609544762 /nfs/dbraw/zinc/54/47/62/609544762.db2.gz VDXAZWMMARKOEH-UHFFFAOYSA-N -1 3 388.435 2.297 20 30 GEEDHM Cc1ccnc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1-c1nn[n-]n1 ZINC000826310414 609544764 /nfs/dbraw/zinc/54/47/64/609544764.db2.gz VDXAZWMMARKOEH-UHFFFAOYSA-N -1 3 388.435 2.297 20 30 GEEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000508070426 650473512 /nfs/dbraw/zinc/47/35/12/650473512.db2.gz WHRXJLASYYRLPW-CQSZACIVSA-N -1 3 377.825 2.035 20 30 GEEDHM CSCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCC#N ZINC000523354974 650634375 /nfs/dbraw/zinc/63/43/75/650634375.db2.gz JUZZIHUHPXABPX-NSHDSACASA-N -1 3 396.321 2.033 20 30 GEEDHM C[C@@]([N-]S(=O)(=O)c1ccc(C#N)cc1F)(C(N)=O)c1cccc(Cl)c1 ZINC000531406098 650738296 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C#Cc1cccc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000157003690 644126112 /nfs/dbraw/zinc/12/61/12/644126112.db2.gz HDOWVTDPRIKLHV-UHFFFAOYSA-N -1 3 383.882 2.483 20 30 GEEDHM C=CCCOCCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000270267996 646098677 /nfs/dbraw/zinc/09/86/77/646098677.db2.gz RNDOGNMVDMWKLZ-UHFFFAOYSA-N -1 3 395.308 2.371 20 30 GEEDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(F)(F)F ZINC000270556927 646119358 /nfs/dbraw/zinc/11/93/58/646119358.db2.gz OOSZPEHZDUVDPF-SNVBAGLBSA-N -1 3 376.278 2.169 20 30 GEEDHM COC(=O)c1csc(S(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)c1 ZINC000274430753 646320329 /nfs/dbraw/zinc/32/03/29/646320329.db2.gz MMAZQSCEDSDRPL-KRWDZBQOSA-N -1 3 376.459 2.264 20 30 GEEDHM N#Cc1cncc(S(=O)(=O)[N-]c2ccc3nccnc3c2Br)c1 ZINC000323989506 647299575 /nfs/dbraw/zinc/29/95/75/647299575.db2.gz COESYMOYVKDPOX-UHFFFAOYSA-N -1 3 390.222 2.460 20 30 GEEDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(c2snc(Cl)c2C#N)C1 ZINC000378557534 647884421 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/nfs/dbraw/zinc/60/79/20/532607920.db2.gz RJEUTPDEWWGCDE-GFCCVEGCSA-N -1 3 399.259 2.291 20 30 GEEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1nncn1C ZINC000285167099 532654305 /nfs/dbraw/zinc/65/43/05/532654305.db2.gz CIBHMNZJJOUSEX-CYBMUJFWSA-N -1 3 398.286 2.125 20 30 GEEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CC#N)c(Br)c1 ZINC000299453507 532718117 /nfs/dbraw/zinc/71/81/17/532718117.db2.gz TYOSDUGGMBTXQB-VIFPVBQESA-N -1 3 375.244 2.206 20 30 GEEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1COc2cc(F)c(Br)cc21 ZINC000409797111 532727730 /nfs/dbraw/zinc/72/77/30/532727730.db2.gz CGPXHWSVFUFYGE-GFCCVEGCSA-N -1 3 398.213 2.267 20 30 GEEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000539385509 532729145 /nfs/dbraw/zinc/72/91/45/532729145.db2.gz SLNOJNNIIMLNDN-ZDUSSCGKSA-N -1 3 390.527 2.480 20 30 GEEDHM N#C[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccccc1Br ZINC000614621676 532743422 /nfs/dbraw/zinc/74/34/22/532743422.db2.gz BZJXXRUOXFRQAL-HNNXBMFYSA-N -1 3 388.221 2.266 20 30 GEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000443504595 532748485 /nfs/dbraw/zinc/74/84/85/532748485.db2.gz YJGNGELIAHYOGS-AWEZNQCLSA-N -1 3 381.885 2.424 20 30 GEEDHM N#CCCN(Cc1ccco1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000504577876 532748641 /nfs/dbraw/zinc/74/86/41/532748641.db2.gz NTRVEBXHTWQPBL-UHFFFAOYSA-N -1 3 387.870 2.215 20 30 GEEDHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@](C)(C#N)CSC ZINC000588948235 532773084 /nfs/dbraw/zinc/77/30/84/532773084.db2.gz LYXRWQHQUDVEML-CQSZACIVSA-N -1 3 391.902 2.231 20 30 GEEDHM C=CCN1CCC([N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000287112449 532783634 /nfs/dbraw/zinc/78/36/34/532783634.db2.gz ZNNREDXZYGJJJC-UHFFFAOYSA-N -1 3 384.299 2.249 20 30 GEEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[C@H]1n1cccn1 ZINC000550024565 532796640 /nfs/dbraw/zinc/79/66/40/532796640.db2.gz LBWKQLQFNQRRCX-SQWLQELKSA-N -1 3 380.857 2.105 20 30 GEEDHM CC[C@]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)(C(N)=O)C(C)C ZINC000272824503 532818211 /nfs/dbraw/zinc/81/82/11/532818211.db2.gz VPAPKDOOQQQXAG-CQSZACIVSA-N -1 3 377.388 2.145 20 30 GEEDHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C#N)s1 ZINC000330630987 532822744 /nfs/dbraw/zinc/82/27/44/532822744.db2.gz DVJCDTSWYOQJJC-TZMCWYRMSA-N -1 3 383.539 2.423 20 30 GEEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@H]1OC ZINC000274726896 532855356 /nfs/dbraw/zinc/85/53/56/532855356.db2.gz FWPPABSCKMBYJO-OUCADQQQSA-N -1 3 378.372 2.048 20 30 GEEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCOCC(F)(F)F ZINC000416379355 532873556 /nfs/dbraw/zinc/87/35/56/532873556.db2.gz WQDPXZIMUQTCRE-UHFFFAOYSA-N -1 3 387.177 2.178 20 30 GEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Br)nn1C ZINC000294157463 532936389 /nfs/dbraw/zinc/93/63/89/532936389.db2.gz VUSHAROZDSWHPK-UHFFFAOYSA-N -1 3 378.230 2.343 20 30 GEEDHM C#CCSCCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735387966 598849272 /nfs/dbraw/zinc/84/92/72/598849272.db2.gz MPNGVROGQHICBG-UHFFFAOYSA-N -1 3 383.433 2.135 20 30 GEEDHM C#CCSCCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735387966 598849274 /nfs/dbraw/zinc/84/92/74/598849274.db2.gz MPNGVROGQHICBG-UHFFFAOYSA-N -1 3 383.433 2.135 20 30 GEEDHM C#CCSCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735388350 598849368 /nfs/dbraw/zinc/84/93/68/598849368.db2.gz ZSTHYRXGYCBHSC-UHFFFAOYSA-N -1 3 380.433 2.150 20 30 GEEDHM C#CCSCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735388350 598849369 /nfs/dbraw/zinc/84/93/69/598849369.db2.gz ZSTHYRXGYCBHSC-UHFFFAOYSA-N -1 3 380.433 2.150 20 30 GEEDHM C#CCCNC(=O)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735374970 598850187 /nfs/dbraw/zinc/85/01/87/598850187.db2.gz HEKSBVVDYQFUOX-UHFFFAOYSA-N -1 3 386.466 2.155 20 30 GEEDHM C#CCCNC(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735374970 598850189 /nfs/dbraw/zinc/85/01/89/598850189.db2.gz HEKSBVVDYQFUOX-UHFFFAOYSA-N -1 3 386.466 2.155 20 30 GEEDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1ccc(OCC#N)cc1 ZINC000736036531 598885483 /nfs/dbraw/zinc/88/54/83/598885483.db2.gz CQGOKVVRCNQAAK-CQSZACIVSA-N -1 3 393.403 2.322 20 30 GEEDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1ccc(OCC#N)cc1 ZINC000736036531 598885485 /nfs/dbraw/zinc/88/54/85/598885485.db2.gz CQGOKVVRCNQAAK-CQSZACIVSA-N -1 3 393.403 2.322 20 30 GEEDHM COC(=O)[C@H](OC(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899603 598896659 /nfs/dbraw/zinc/89/66/59/598896659.db2.gz PLOFNUPYSNVNCZ-GOSISDBHSA-N -1 3 391.387 2.128 20 30 GEEDHM COC(=O)[C@H](OC(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899603 598896661 /nfs/dbraw/zinc/89/66/61/598896661.db2.gz PLOFNUPYSNVNCZ-GOSISDBHSA-N -1 3 391.387 2.128 20 30 GEEDHM C=CCCCCCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000735408190 598907453 /nfs/dbraw/zinc/90/74/53/598907453.db2.gz HGAYFGOQAJQQNR-UHFFFAOYSA-N -1 3 386.456 2.409 20 30 GEEDHM C=CCCCCCN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000735408190 598907454 /nfs/dbraw/zinc/90/74/54/598907454.db2.gz HGAYFGOQAJQQNR-UHFFFAOYSA-N -1 3 386.456 2.409 20 30 GEEDHM N#C[C@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CCN1Cc1ccccc1 ZINC000737678120 598909010 /nfs/dbraw/zinc/90/90/10/598909010.db2.gz GUOBNQHOXNBMGJ-VYENPZKTSA-N -1 3 399.458 2.116 20 30 GEEDHM N#C[C@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CCN1Cc1ccccc1 ZINC000737678120 598909012 /nfs/dbraw/zinc/90/90/12/598909012.db2.gz GUOBNQHOXNBMGJ-VYENPZKTSA-N -1 3 399.458 2.116 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2csc(-c3cccnc3)n2)ccc1-c1nnn[n-]1 ZINC000737708600 598915895 /nfs/dbraw/zinc/91/58/95/598915895.db2.gz HKGSCRHSCSHCAK-UHFFFAOYSA-N -1 3 388.416 2.438 20 30 GEEDHM N#Cc1cc(NC(=O)Cc2csc(-c3cccnc3)n2)ccc1-c1nn[n-]n1 ZINC000737708600 598915896 /nfs/dbraw/zinc/91/58/96/598915896.db2.gz HKGSCRHSCSHCAK-UHFFFAOYSA-N -1 3 388.416 2.438 20 30 GEEDHM CC(=O)N[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(C)cc1 ZINC000735474897 598916391 /nfs/dbraw/zinc/91/63/91/598916391.db2.gz MIYJCUFDZZUUHV-SFHVURJKSA-N -1 3 389.419 2.253 20 30 GEEDHM CC(=O)N[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(C)cc1 ZINC000735474897 598916392 /nfs/dbraw/zinc/91/63/92/598916392.db2.gz MIYJCUFDZZUUHV-SFHVURJKSA-N -1 3 389.419 2.253 20 30 GEEDHM CCN(C)C(=O)c1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000736510490 598924923 /nfs/dbraw/zinc/92/49/23/598924923.db2.gz XTWFHHQKDYUYQN-UHFFFAOYSA-N -1 3 375.392 2.083 20 30 GEEDHM CCN(C)C(=O)c1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000736510490 598924926 /nfs/dbraw/zinc/92/49/26/598924926.db2.gz XTWFHHQKDYUYQN-UHFFFAOYSA-N -1 3 375.392 2.083 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735633106 598926124 /nfs/dbraw/zinc/92/61/24/598926124.db2.gz MFRXLLXYCMLWDT-AWEZNQCLSA-N -1 3 383.412 2.076 20 30 GEEDHM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735633106 598926125 /nfs/dbraw/zinc/92/61/25/598926125.db2.gz MFRXLLXYCMLWDT-AWEZNQCLSA-N -1 3 383.412 2.076 20 30 GEEDHM Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737464254 598927038 /nfs/dbraw/zinc/92/70/38/598927038.db2.gz HLXGTMGRYKUKHJ-UHFFFAOYSA-N -1 3 389.404 2.213 20 30 GEEDHM Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737464254 598927039 /nfs/dbraw/zinc/92/70/39/598927039.db2.gz HLXGTMGRYKUKHJ-UHFFFAOYSA-N -1 3 389.404 2.213 20 30 GEEDHM CSc1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c2ccccn12 ZINC000737189569 598927856 /nfs/dbraw/zinc/92/78/56/598927856.db2.gz ORXDOCPCYFREQW-UHFFFAOYSA-N -1 3 376.405 2.360 20 30 GEEDHM CSc1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c2ccccn12 ZINC000737189569 598927857 /nfs/dbraw/zinc/92/78/57/598927857.db2.gz ORXDOCPCYFREQW-UHFFFAOYSA-N -1 3 376.405 2.360 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735387626 598963224 /nfs/dbraw/zinc/96/32/24/598963224.db2.gz CIVISUBQZGMATC-UHFFFAOYSA-N -1 3 380.383 2.017 20 30 GEEDHM C#CCOc1ccccc1CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735387626 598963225 /nfs/dbraw/zinc/96/32/25/598963225.db2.gz CIVISUBQZGMATC-UHFFFAOYSA-N -1 3 380.383 2.017 20 30 GEEDHM C=CCCCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735412488 598978769 /nfs/dbraw/zinc/97/87/69/598978769.db2.gz DBTXTVPIKMFUNA-HNNXBMFYSA-N -1 3 377.470 2.003 20 30 GEEDHM C=CCCCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735412488 598978771 /nfs/dbraw/zinc/97/87/71/598978771.db2.gz DBTXTVPIKMFUNA-HNNXBMFYSA-N -1 3 377.470 2.003 20 30 GEEDHM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000735426152 599001495 /nfs/dbraw/zinc/00/14/95/599001495.db2.gz LGKSVIBMNHXTED-UHFFFAOYSA-N -1 3 394.460 2.424 20 30 GEEDHM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735426152 599001496 /nfs/dbraw/zinc/00/14/96/599001496.db2.gz LGKSVIBMNHXTED-UHFFFAOYSA-N -1 3 394.460 2.424 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(-n2cncn2)c1 ZINC000735420370 599025956 /nfs/dbraw/zinc/02/59/56/599025956.db2.gz PCTMGGNXAXRPGA-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(-n2cncn2)c1 ZINC000735420370 599025958 /nfs/dbraw/zinc/02/59/58/599025958.db2.gz PCTMGGNXAXRPGA-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM N#Cc1ccc(OCCNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)cc1 ZINC000822833519 599049524 /nfs/dbraw/zinc/04/95/24/599049524.db2.gz QVMODPIBEVQIKY-UHFFFAOYSA-N -1 3 393.357 2.478 20 30 GEEDHM N#Cc1ccc(OCCNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)cc1 ZINC000822833519 599049526 /nfs/dbraw/zinc/04/95/26/599049526.db2.gz QVMODPIBEVQIKY-UHFFFAOYSA-N -1 3 393.357 2.478 20 30 GEEDHM N#Cc1cn(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c2ccccc2c1=O ZINC000737728308 599167140 /nfs/dbraw/zinc/16/71/40/599167140.db2.gz LOHQMGQMWIVOJQ-UHFFFAOYSA-N -1 3 396.370 2.152 20 30 GEEDHM N#Cc1cn(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c2ccccc2c1=O ZINC000737728308 599167143 /nfs/dbraw/zinc/16/71/43/599167143.db2.gz LOHQMGQMWIVOJQ-UHFFFAOYSA-N -1 3 396.370 2.152 20 30 GEEDHM CCCNC(=O)c1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000736487878 599191276 /nfs/dbraw/zinc/19/12/76/599191276.db2.gz MSLOQVPSNCUEPD-UHFFFAOYSA-N -1 3 375.392 2.130 20 30 GEEDHM CCCNC(=O)c1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000736487878 599191279 /nfs/dbraw/zinc/19/12/79/599191279.db2.gz MSLOQVPSNCUEPD-UHFFFAOYSA-N -1 3 375.392 2.130 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735633343 599192422 /nfs/dbraw/zinc/19/24/22/599192422.db2.gz OWDWOYKTNHKVJY-UKRRQHHQSA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735633343 599192425 /nfs/dbraw/zinc/19/24/25/599192425.db2.gz OWDWOYKTNHKVJY-UKRRQHHQSA-N -1 3 397.439 2.370 20 30 GEEDHM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735593322 599195263 /nfs/dbraw/zinc/19/52/63/599195263.db2.gz ITWYXEBAIMZGEY-AWEZNQCLSA-N -1 3 399.480 2.015 20 30 GEEDHM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735593322 599195267 /nfs/dbraw/zinc/19/52/67/599195267.db2.gz ITWYXEBAIMZGEY-AWEZNQCLSA-N -1 3 399.480 2.015 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cnnn2-c2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000737718659 599196177 /nfs/dbraw/zinc/19/61/77/599196177.db2.gz LMEQTXVRAWWIBH-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM N#Cc1ccc(NC(=O)c2cnnn2-c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000737718659 599196179 /nfs/dbraw/zinc/19/61/79/599196179.db2.gz LMEQTXVRAWWIBH-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM N#Cc1cc(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)ccc1-c1nnn[n-]1 ZINC000737708339 599198080 /nfs/dbraw/zinc/19/80/80/599198080.db2.gz FANZQUHFZRTHHY-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM N#Cc1cc(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)ccc1-c1nn[n-]n1 ZINC000737708339 599198082 /nfs/dbraw/zinc/19/80/82/599198082.db2.gz FANZQUHFZRTHHY-UHFFFAOYSA-N -1 3 391.782 2.225 20 30 GEEDHM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819743822 607274067 /nfs/dbraw/zinc/27/40/67/607274067.db2.gz QAOLFBBDIPIRSZ-UHFFFAOYSA-N -1 3 390.447 2.371 20 30 GEEDHM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819743822 607274068 /nfs/dbraw/zinc/27/40/68/607274068.db2.gz QAOLFBBDIPIRSZ-UHFFFAOYSA-N -1 3 390.447 2.371 20 30 GEEDHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NCC#Cc1ccccc1 ZINC000822955454 607299276 /nfs/dbraw/zinc/29/92/76/607299276.db2.gz VVXGMDKBNFJWPC-UHFFFAOYSA-N -1 3 388.431 2.143 20 30 GEEDHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NCC#Cc1ccccc1 ZINC000822955454 607299277 /nfs/dbraw/zinc/29/92/77/607299277.db2.gz VVXGMDKBNFJWPC-UHFFFAOYSA-N -1 3 388.431 2.143 20 30 GEEDHM CN(CCCc1[nH]nc(N)c1C#N)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000821601681 607344274 /nfs/dbraw/zinc/34/42/74/607344274.db2.gz UPYLDKHQEFYZDD-UHFFFAOYSA-N -1 3 391.361 2.131 20 30 GEEDHM CN(CCCc1[nH]nc(N)c1C#N)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000821601681 607344276 /nfs/dbraw/zinc/34/42/76/607344276.db2.gz UPYLDKHQEFYZDD-UHFFFAOYSA-N -1 3 391.361 2.131 20 30 GEEDHM N#Cc1c(Cl)nsc1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737704994 598245793 /nfs/dbraw/zinc/24/57/93/598245793.db2.gz JLWTZBCHRNEAFR-UHFFFAOYSA-N -1 3 390.835 2.314 20 30 GEEDHM N#CCn1c(C(=O)OCCNc2ncccc2-c2nnn[n-]2)cc2ccccc21 ZINC000737704547 598292251 /nfs/dbraw/zinc/29/22/51/598292251.db2.gz HDCDGCBXONXQTB-UHFFFAOYSA-N -1 3 388.391 2.009 20 30 GEEDHM N#CCn1c(C(=O)OCCNc2ncccc2-c2nn[n-]n2)cc2ccccc21 ZINC000737704547 598292252 /nfs/dbraw/zinc/29/22/52/598292252.db2.gz HDCDGCBXONXQTB-UHFFFAOYSA-N -1 3 388.391 2.009 20 30 GEEDHM Cc1nc(C#N)c(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737467191 598322415 /nfs/dbraw/zinc/32/24/15/598322415.db2.gz NEBIRFHVJULXLY-UHFFFAOYSA-N -1 3 375.805 2.002 20 30 GEEDHM Cc1nc(C#N)c(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737467191 598322417 /nfs/dbraw/zinc/32/24/17/598322417.db2.gz NEBIRFHVJULXLY-UHFFFAOYSA-N -1 3 375.805 2.002 20 30 GEEDHM C#Cc1cccc(NC(=S)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000735391346 598323338 /nfs/dbraw/zinc/32/33/38/598323338.db2.gz QKJVOPSMZXYNGV-UHFFFAOYSA-N -1 3 389.488 2.367 20 30 GEEDHM C#Cc1cccc(NC(=S)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000735391346 598323340 /nfs/dbraw/zinc/32/33/40/598323340.db2.gz QKJVOPSMZXYNGV-UHFFFAOYSA-N -1 3 389.488 2.367 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CNC(=O)CCC1CCCC1 ZINC000735420742 598330906 /nfs/dbraw/zinc/33/09/06/598330906.db2.gz RPIUJXXKSPLTPL-UHFFFAOYSA-N -1 3 396.495 2.468 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CNC(=O)CCC1CCCC1 ZINC000735420742 598330908 /nfs/dbraw/zinc/33/09/08/598330908.db2.gz RPIUJXXKSPLTPL-UHFFFAOYSA-N -1 3 396.495 2.468 20 30 GEEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000737022717 598382978 /nfs/dbraw/zinc/38/29/78/598382978.db2.gz AKCRAULUZOQRSG-CQSZACIVSA-N -1 3 398.810 2.289 20 30 GEEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000737022717 598382980 /nfs/dbraw/zinc/38/29/80/598382980.db2.gz AKCRAULUZOQRSG-CQSZACIVSA-N -1 3 398.810 2.289 20 30 GEEDHM N#Cc1ccc(N2CCC(Nc3ncc(-c4nnn[n-]4)cc3Cl)CC2)nc1 ZINC000737719801 598459571 /nfs/dbraw/zinc/45/95/71/598459571.db2.gz XPLNVLMDNWKFDJ-UHFFFAOYSA-N -1 3 381.831 2.263 20 30 GEEDHM N#Cc1ccc(N2CCC(Nc3ncc(-c4nn[n-]n4)cc3Cl)CC2)nc1 ZINC000737719801 598459572 /nfs/dbraw/zinc/45/95/72/598459572.db2.gz XPLNVLMDNWKFDJ-UHFFFAOYSA-N -1 3 381.831 2.263 20 30 GEEDHM CC[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(=O)c1ccc(OC)cc1 ZINC000736393544 598492202 /nfs/dbraw/zinc/49/22/02/598492202.db2.gz ZTHFWEQVHVRGTB-CQSZACIVSA-N -1 3 395.448 2.478 20 30 GEEDHM CC[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)C(=O)c1ccc(OC)cc1 ZINC000736393544 598492203 /nfs/dbraw/zinc/49/22/03/598492203.db2.gz ZTHFWEQVHVRGTB-CQSZACIVSA-N -1 3 395.448 2.478 20 30 GEEDHM C#CCOc1cccc(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000735380537 598495528 /nfs/dbraw/zinc/49/55/28/598495528.db2.gz ITTIYQPZWQLAGS-UHFFFAOYSA-N -1 3 396.794 2.109 20 30 GEEDHM C#CCOc1cccc(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000735380537 598495529 /nfs/dbraw/zinc/49/55/29/598495529.db2.gz ITTIYQPZWQLAGS-UHFFFAOYSA-N -1 3 396.794 2.109 20 30 GEEDHM C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736118253 598528382 /nfs/dbraw/zinc/52/83/82/598528382.db2.gz LXWBZCKQFNHWAT-ZDUSSCGKSA-N -1 3 377.408 2.329 20 30 GEEDHM C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736118253 598528384 /nfs/dbraw/zinc/52/83/84/598528384.db2.gz LXWBZCKQFNHWAT-ZDUSSCGKSA-N -1 3 377.408 2.329 20 30 GEEDHM CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736817222 598577195 /nfs/dbraw/zinc/57/71/95/598577195.db2.gz UURDIAKBCYLDIA-LJQANCHMSA-N -1 3 387.447 2.366 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000735418491 598581393 /nfs/dbraw/zinc/58/13/93/598581393.db2.gz FZORWGJZXMSYQZ-UHFFFAOYSA-N -1 3 390.447 2.397 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000735418491 598581395 /nfs/dbraw/zinc/58/13/95/598581395.db2.gz FZORWGJZXMSYQZ-UHFFFAOYSA-N -1 3 390.447 2.397 20 30 GEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@H]1CCCc2ccccc2C1=O ZINC000737704484 598581908 /nfs/dbraw/zinc/58/19/08/598581908.db2.gz GOZZYDMMUFCZSG-AWEZNQCLSA-N -1 3 377.433 2.395 20 30 GEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@H]1CCCc2ccccc2C1=O ZINC000737704484 598581910 /nfs/dbraw/zinc/58/19/10/598581910.db2.gz GOZZYDMMUFCZSG-AWEZNQCLSA-N -1 3 377.433 2.395 20 30 GEEDHM C#CCNC(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735380315 598615317 /nfs/dbraw/zinc/61/53/17/598615317.db2.gz FTBITIBFAVGNTJ-CYBMUJFWSA-N -1 3 394.410 2.135 20 30 GEEDHM C#CCNC(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735380315 598615319 /nfs/dbraw/zinc/61/53/19/598615319.db2.gz FTBITIBFAVGNTJ-CYBMUJFWSA-N -1 3 394.410 2.135 20 30 GEEDHM Cc1nc(SCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)c(C#N)c(C)c1C ZINC000737481978 598659058 /nfs/dbraw/zinc/65/90/58/598659058.db2.gz DIEIGAKVEUALTL-UHFFFAOYSA-N -1 3 380.437 2.184 20 30 GEEDHM Cc1nc(SCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)c(C#N)c(C)c1C ZINC000737481978 598659060 /nfs/dbraw/zinc/65/90/60/598659060.db2.gz DIEIGAKVEUALTL-UHFFFAOYSA-N -1 3 380.437 2.184 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCC(=O)N(CC)CC ZINC000735420716 598723944 /nfs/dbraw/zinc/72/39/44/598723944.db2.gz QYJRMZUXWBIALH-UHFFFAOYSA-N -1 3 384.484 2.420 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCC(=O)N(CC)CC ZINC000735420716 598723946 /nfs/dbraw/zinc/72/39/46/598723946.db2.gz QYJRMZUXWBIALH-UHFFFAOYSA-N -1 3 384.484 2.420 20 30 GEEDHM C[C@H](C#N)CN(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000735505848 598760020 /nfs/dbraw/zinc/76/00/20/598760020.db2.gz ULJMMSYRKKQRCJ-NWDGAFQWSA-N -1 3 387.513 2.473 20 30 GEEDHM C[C@H](C#N)CN(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000735505848 598760022 /nfs/dbraw/zinc/76/00/22/598760022.db2.gz ULJMMSYRKKQRCJ-NWDGAFQWSA-N -1 3 387.513 2.473 20 30 GEEDHM C#Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)nc1 ZINC000735390016 598780319 /nfs/dbraw/zinc/78/03/19/598780319.db2.gz MYVMTFVIZYCGLN-JTQLQIEISA-N -1 3 396.794 2.080 20 30 GEEDHM C#Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)nc1 ZINC000735390016 598780320 /nfs/dbraw/zinc/78/03/20/598780320.db2.gz MYVMTFVIZYCGLN-JTQLQIEISA-N -1 3 396.794 2.080 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000619679887 599323444 /nfs/dbraw/zinc/32/34/44/599323444.db2.gz FRNROBSUWQBQGD-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000619679887 599323445 /nfs/dbraw/zinc/32/34/45/599323445.db2.gz FRNROBSUWQBQGD-JTQLQIEISA-N -1 3 388.840 2.431 20 30 GEEDHM N#Cc1cc(S(=O)(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1Cl ZINC000822822863 599367854 /nfs/dbraw/zinc/36/78/54/599367854.db2.gz FUJFGUQMSXFMNK-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM N#Cc1cc(S(=O)(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1Cl ZINC000822822863 599367857 /nfs/dbraw/zinc/36/78/57/599367857.db2.gz FUJFGUQMSXFMNK-UHFFFAOYSA-N -1 3 392.803 2.009 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)nnn1-c1ccccc1 ZINC000737202903 599463115 /nfs/dbraw/zinc/46/31/15/599463115.db2.gz PURVCCVOWULTAZ-CMDGGOBGSA-N -1 3 397.402 2.300 20 30 GEEDHM Cc1c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)nnn1-c1ccccc1 ZINC000737202903 599463117 /nfs/dbraw/zinc/46/31/17/599463117.db2.gz PURVCCVOWULTAZ-CMDGGOBGSA-N -1 3 397.402 2.300 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000735418397 599508415 /nfs/dbraw/zinc/50/84/15/599508415.db2.gz CTUFECYBIAMMHL-UHFFFAOYSA-N -1 3 397.826 2.068 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000735418397 599508417 /nfs/dbraw/zinc/50/84/17/599508417.db2.gz CTUFECYBIAMMHL-UHFFFAOYSA-N -1 3 397.826 2.068 20 30 GEEDHM N#Cc1ccsc1C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822842693 599658831 /nfs/dbraw/zinc/65/88/31/599658831.db2.gz UNHVLIMJIBEPNN-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM N#Cc1ccsc1C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822842693 599658832 /nfs/dbraw/zinc/65/88/32/599658832.db2.gz UNHVLIMJIBEPNN-UHFFFAOYSA-N -1 3 379.361 2.207 20 30 GEEDHM C#CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000819709945 599664591 /nfs/dbraw/zinc/66/45/91/599664591.db2.gz UMOXMKGRUINQIF-CYBMUJFWSA-N -1 3 391.387 2.063 20 30 GEEDHM C#CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000819709945 599664592 /nfs/dbraw/zinc/66/45/92/599664592.db2.gz UMOXMKGRUINQIF-CYBMUJFWSA-N -1 3 391.387 2.063 20 30 GEEDHM N#C[C@H](C(=O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1nc2ccccc2c(=O)[nH]1 ZINC000739074782 599712073 /nfs/dbraw/zinc/71/20/73/599712073.db2.gz LRHMQCCYFIYUHB-JFOHDYCDSA-N -1 3 394.431 2.229 20 30 GEEDHM N#CCC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826381393 607398052 /nfs/dbraw/zinc/39/80/52/607398052.db2.gz KARSLSYHCFRRTC-HNNXBMFYSA-N -1 3 393.382 2.106 20 30 GEEDHM N#CCC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826381393 607398053 /nfs/dbraw/zinc/39/80/53/607398053.db2.gz KARSLSYHCFRRTC-HNNXBMFYSA-N -1 3 393.382 2.106 20 30 GEEDHM Cc1cccc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826298809 607398392 /nfs/dbraw/zinc/39/83/92/607398392.db2.gz HSVWNXCSSJUOLK-OAHLLOKOSA-N -1 3 389.419 2.275 20 30 GEEDHM Cc1cccc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826298809 607398394 /nfs/dbraw/zinc/39/83/94/607398394.db2.gz HSVWNXCSSJUOLK-OAHLLOKOSA-N -1 3 389.419 2.275 20 30 GEEDHM C=CCN1CCC(NC(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)CC1 ZINC000736106652 600024449 /nfs/dbraw/zinc/02/44/49/600024449.db2.gz GMSDHLRONLIDOE-MRXNPFEDSA-N -1 3 386.496 2.255 20 30 GEEDHM CCn1c(=O)c2ccccc2nc1NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821564221 607463420 /nfs/dbraw/zinc/46/34/20/607463420.db2.gz XYQXAHIHONUAMA-UHFFFAOYSA-N -1 3 378.371 2.182 20 30 GEEDHM CCn1c(=O)c2ccccc2nc1NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821564221 607463421 /nfs/dbraw/zinc/46/34/21/607463421.db2.gz XYQXAHIHONUAMA-UHFFFAOYSA-N -1 3 378.371 2.182 20 30 GEEDHM N#Cc1cccc([C@H](NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)[O-])c1 ZINC000833075347 601301463 /nfs/dbraw/zinc/30/14/63/601301463.db2.gz KLNRZIFNCIMNJS-IBGZPJMESA-N -1 3 399.472 2.258 20 30 GEEDHM N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)CC2 ZINC000443026098 607933798 /nfs/dbraw/zinc/93/37/98/607933798.db2.gz LGCRMGFUKSINTP-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1nc(CSC)no1 ZINC000823910230 607577039 /nfs/dbraw/zinc/57/70/39/607577039.db2.gz ZXEGIBRJYLVEOK-UHFFFAOYSA-N -1 3 399.480 2.260 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1nc(CSC)no1 ZINC000823910230 607577040 /nfs/dbraw/zinc/57/70/40/607577040.db2.gz ZXEGIBRJYLVEOK-UHFFFAOYSA-N -1 3 399.480 2.260 20 30 GEEDHM COc1ccc(COC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826204299 607596811 /nfs/dbraw/zinc/59/68/11/607596811.db2.gz GAGLEMLMWDNRAT-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826204534 607596844 /nfs/dbraw/zinc/59/68/44/607596844.db2.gz OSKHCBVNNVEPOB-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM COc1ccc(COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826204534 607596845 /nfs/dbraw/zinc/59/68/45/607596845.db2.gz OSKHCBVNNVEPOB-GFCCVEGCSA-N -1 3 379.376 2.258 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cccc(Cl)c1C#N ZINC000826255089 607603819 /nfs/dbraw/zinc/60/38/19/607603819.db2.gz LAUCQBAGTUBRFU-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cccc(Cl)c1C#N ZINC000826255089 607603821 /nfs/dbraw/zinc/60/38/21/607603821.db2.gz LAUCQBAGTUBRFU-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM C=CC[C@H](NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccncc1 ZINC000823888588 607621137 /nfs/dbraw/zinc/62/11/37/607621137.db2.gz RDEJTXJKIWVLDP-INIZCTEOSA-N -1 3 379.424 2.387 20 30 GEEDHM C=CC[C@H](NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccncc1 ZINC000823888588 607621138 /nfs/dbraw/zinc/62/11/38/607621138.db2.gz RDEJTXJKIWVLDP-INIZCTEOSA-N -1 3 379.424 2.387 20 30 GEEDHM Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826281271 607670528 /nfs/dbraw/zinc/67/05/28/607670528.db2.gz LHGKYFFCCFRSBV-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000826246053 607678363 /nfs/dbraw/zinc/67/83/63/607678363.db2.gz PZORWAHDESXJCK-UHFFFAOYSA-N -1 3 391.410 2.148 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000826246053 607678365 /nfs/dbraw/zinc/67/83/65/607678365.db2.gz PZORWAHDESXJCK-UHFFFAOYSA-N -1 3 391.410 2.148 20 30 GEEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1Cl ZINC000829443117 604221873 /nfs/dbraw/zinc/22/18/73/604221873.db2.gz YRGXLBACEHDHPU-HOSYDEDBSA-N -1 3 379.800 2.432 20 30 GEEDHM C[C@@](CNC(=O)[O-])(NCc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CC1 ZINC000824952971 605164175 /nfs/dbraw/zinc/16/41/75/605164175.db2.gz SDKCUWYUZQCBKZ-XOBRGWDASA-N -1 3 379.420 2.250 20 30 GEEDHM N#Cc1cc2ccccc2nc1N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000822823111 606031578 /nfs/dbraw/zinc/03/15/78/606031578.db2.gz LHYIXXAJTJWSOH-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM N#Cc1cc2ccccc2nc1N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000822823111 606031582 /nfs/dbraw/zinc/03/15/82/606031582.db2.gz LHYIXXAJTJWSOH-UHFFFAOYSA-N -1 3 383.419 2.008 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000819745697 606160782 /nfs/dbraw/zinc/16/07/82/606160782.db2.gz PVJAIFRHMLBLIP-UHFFFAOYSA-N -1 3 395.398 2.325 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000819745697 606160783 /nfs/dbraw/zinc/16/07/83/606160783.db2.gz PVJAIFRHMLBLIP-UHFFFAOYSA-N -1 3 395.398 2.325 20 30 GEEDHM CN1c2ccccc2C(C)(C)C1=CC(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821619119 606235904 /nfs/dbraw/zinc/23/59/04/606235904.db2.gz KGXDYRYRILQULJ-MFOYZWKCSA-N -1 3 392.419 2.232 20 30 GEEDHM CN1c2ccccc2C(C)(C)C1=CC(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821619119 606235905 /nfs/dbraw/zinc/23/59/05/606235905.db2.gz KGXDYRYRILQULJ-MFOYZWKCSA-N -1 3 392.419 2.232 20 30 GEEDHM C#CCOc1cc(F)ccc1N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819709603 606249460 /nfs/dbraw/zinc/24/94/60/606249460.db2.gz LUSQKXGGQBNZID-KRWDZBQOSA-N -1 3 392.394 2.235 20 30 GEEDHM C#CCOc1cc(F)ccc1N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819709603 606249462 /nfs/dbraw/zinc/24/94/62/606249462.db2.gz LUSQKXGGQBNZID-KRWDZBQOSA-N -1 3 392.394 2.235 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000821647285 606368570 /nfs/dbraw/zinc/36/85/70/606368570.db2.gz XCUZABINWNYOOR-LPADLIQXSA-N -1 3 389.371 2.209 20 30 GEEDHM COC(=O)[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000821647285 606368572 /nfs/dbraw/zinc/36/85/72/606368572.db2.gz XCUZABINWNYOOR-LPADLIQXSA-N -1 3 389.371 2.209 20 30 GEEDHM O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2nnn[n-]2)s1)CCCC3 ZINC000823665986 606369613 /nfs/dbraw/zinc/36/96/13/606369613.db2.gz ZDRYFHGHKAYBHQ-UHFFFAOYSA-N -1 3 383.462 2.461 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819745491 606396047 /nfs/dbraw/zinc/39/60/47/606396047.db2.gz GDCHTPIQPMACED-UHFFFAOYSA-N -1 3 386.412 2.221 20 30 GEEDHM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819745491 606396048 /nfs/dbraw/zinc/39/60/48/606396048.db2.gz GDCHTPIQPMACED-UHFFFAOYSA-N -1 3 386.412 2.221 20 30 GEEDHM Cc1cc(C(=O)CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c(F)cc1F ZINC000822169050 606399996 /nfs/dbraw/zinc/39/99/96/606399996.db2.gz XOURHQXCTHYNDN-UHFFFAOYSA-N -1 3 387.375 2.277 20 30 GEEDHM Cc1cc(C(=O)CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c(F)cc1F ZINC000822169050 606399998 /nfs/dbraw/zinc/39/99/98/606399998.db2.gz XOURHQXCTHYNDN-UHFFFAOYSA-N -1 3 387.375 2.277 20 30 GEEDHM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1N1CCC(O)CC1 ZINC000822823166 606424204 /nfs/dbraw/zinc/42/42/04/606424204.db2.gz MAQVIWWXYHCCFH-UHFFFAOYSA-N -1 3 381.465 2.373 20 30 GEEDHM N#Cc1ccc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)s1 ZINC000822823623 606552383 /nfs/dbraw/zinc/55/23/83/606552383.db2.gz UZAXDJVODHZTSL-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM N#Cc1ccc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)s1 ZINC000822823623 606552385 /nfs/dbraw/zinc/55/23/85/606552385.db2.gz UZAXDJVODHZTSL-UHFFFAOYSA-N -1 3 380.433 2.483 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC000821648176 606755607 /nfs/dbraw/zinc/75/56/07/606755607.db2.gz CVVSUARMNKXQJQ-OAHLLOKOSA-N -1 3 399.313 2.088 20 30 GEEDHM COC(=O)[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC000821648176 606755608 /nfs/dbraw/zinc/75/56/08/606755608.db2.gz CVVSUARMNKXQJQ-OAHLLOKOSA-N -1 3 399.313 2.088 20 30 GEEDHM C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820502075 606756989 /nfs/dbraw/zinc/75/69/89/606756989.db2.gz NDBZIOLPEOILBV-VIFPVBQESA-N -1 3 398.329 2.201 20 30 GEEDHM C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820502075 606756991 /nfs/dbraw/zinc/75/69/91/606756991.db2.gz NDBZIOLPEOILBV-VIFPVBQESA-N -1 3 398.329 2.201 20 30 GEEDHM N#CCOc1cc(F)ccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822810516 606772831 /nfs/dbraw/zinc/77/28/31/606772831.db2.gz JTNINVMEIMXTGU-UHFFFAOYSA-N -1 3 385.334 2.369 20 30 GEEDHM N#CCOc1cc(F)ccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822810516 606772833 /nfs/dbraw/zinc/77/28/33/606772833.db2.gz JTNINVMEIMXTGU-UHFFFAOYSA-N -1 3 385.334 2.369 20 30 GEEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1cc(Cl)ccc1C#N ZINC000822152116 606792753 /nfs/dbraw/zinc/79/27/53/606792753.db2.gz FTYANRIPKQMQHF-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1cc(Cl)ccc1C#N ZINC000822152116 606792755 /nfs/dbraw/zinc/79/27/55/606792755.db2.gz FTYANRIPKQMQHF-UHFFFAOYSA-N -1 3 375.797 2.468 20 30 GEEDHM N#Cc1ccc(CN2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000822826080 606960121 /nfs/dbraw/zinc/96/01/21/606960121.db2.gz UIKMOAVIWMSNNS-UHFFFAOYSA-N -1 3 377.427 2.195 20 30 GEEDHM N#Cc1ccc(CN2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000822826080 606960123 /nfs/dbraw/zinc/96/01/23/606960123.db2.gz UIKMOAVIWMSNNS-UHFFFAOYSA-N -1 3 377.427 2.195 20 30 GEEDHM C=CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccncc1 ZINC000819733790 607182946 /nfs/dbraw/zinc/18/29/46/607182946.db2.gz BHWGLIMQDZLTKW-AWEZNQCLSA-N -1 3 397.826 2.287 20 30 GEEDHM C=CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccncc1 ZINC000819733790 607182947 /nfs/dbraw/zinc/18/29/47/607182947.db2.gz BHWGLIMQDZLTKW-AWEZNQCLSA-N -1 3 397.826 2.287 20 30 GEEDHM N#Cc1ccc(OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822833600 607248852 /nfs/dbraw/zinc/24/88/52/607248852.db2.gz SMLSHRQTXLHPLV-INIZCTEOSA-N -1 3 378.367 2.452 20 30 GEEDHM N#C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000826380230 607881344 /nfs/dbraw/zinc/88/13/44/607881344.db2.gz RTBICKDEQXNPPQ-AWEZNQCLSA-N -1 3 380.861 2.271 20 30 GEEDHM N#C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000826380230 607881345 /nfs/dbraw/zinc/88/13/45/607881345.db2.gz RTBICKDEQXNPPQ-AWEZNQCLSA-N -1 3 380.861 2.271 20 30 GEEDHM Brc1c(C=NNCc2ccc(-c3nnn[n-]3)cc2)nc2ccccn12 ZINC000823820530 607889746 /nfs/dbraw/zinc/88/97/46/607889746.db2.gz GRBOWIPAQLRHTO-UHFFFAOYSA-N -1 3 397.240 2.401 20 30 GEEDHM Brc1c(C=NNCc2ccc(-c3nn[n-]n3)cc2)nc2ccccn12 ZINC000823820530 607889747 /nfs/dbraw/zinc/88/97/47/607889747.db2.gz GRBOWIPAQLRHTO-UHFFFAOYSA-N -1 3 397.240 2.401 20 30 GEEDHM N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)CC2 ZINC000443026098 607933799 /nfs/dbraw/zinc/93/37/99/607933799.db2.gz LGCRMGFUKSINTP-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN1c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826385896 607951125 /nfs/dbraw/zinc/95/11/25/607951125.db2.gz GPMTWXNQMZLJKQ-SFHVURJKSA-N -1 3 385.431 2.296 20 30 GEEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)C1(C#N)CCCCC1 ZINC000825609703 608061911 /nfs/dbraw/zinc/06/19/11/608061911.db2.gz ROTVVZVLXHUOJL-UHFFFAOYSA-N -1 3 384.440 2.329 20 30 GEEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)C1(C#N)CCCCC1 ZINC000825609703 608061912 /nfs/dbraw/zinc/06/19/12/608061912.db2.gz ROTVVZVLXHUOJL-UHFFFAOYSA-N -1 3 384.440 2.329 20 30 GEEDHM Cc1cc(C(=O)N2CCC[C@](C)(C#N)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257763 608140836 /nfs/dbraw/zinc/14/08/36/608140836.db2.gz OIWIVVYUWFSLIE-LJQANCHMSA-N -1 3 376.424 2.127 20 30 GEEDHM Cc1cc(C(=O)N2CCC[C@](C)(C#N)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257763 608140837 /nfs/dbraw/zinc/14/08/37/608140837.db2.gz OIWIVVYUWFSLIE-LJQANCHMSA-N -1 3 376.424 2.127 20 30 GEEDHM C=C(C)[C@@H](CC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)OCC ZINC000823873557 608192730 /nfs/dbraw/zinc/19/27/30/608192730.db2.gz NDAISKBGMRRNOD-MRXNPFEDSA-N -1 3 381.440 2.244 20 30 GEEDHM C=C(C)[C@@H](CC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)OCC ZINC000823873557 608192731 /nfs/dbraw/zinc/19/27/31/608192731.db2.gz NDAISKBGMRRNOD-MRXNPFEDSA-N -1 3 381.440 2.244 20 30 GEEDHM N#CCCN(CCC#N)C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826381659 608207439 /nfs/dbraw/zinc/20/74/39/608207439.db2.gz UDPAFHQEZHUEJS-UHFFFAOYSA-N -1 3 375.845 2.268 20 30 GEEDHM N#CCCN(CCC#N)C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826381659 608207441 /nfs/dbraw/zinc/20/74/41/608207441.db2.gz UDPAFHQEZHUEJS-UHFFFAOYSA-N -1 3 375.845 2.268 20 30 GEEDHM CC(C)CCN(CCC#N)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824249927 608331044 /nfs/dbraw/zinc/33/10/44/608331044.db2.gz YAQWOLYHBDHQPL-UHFFFAOYSA-N -1 3 380.449 2.097 20 30 GEEDHM CC(C)CCN(CCC#N)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824249927 608331046 /nfs/dbraw/zinc/33/10/46/608331046.db2.gz YAQWOLYHBDHQPL-UHFFFAOYSA-N -1 3 380.449 2.097 20 30 GEEDHM Cn1cc(C#N)c(NC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826358485 608338159 /nfs/dbraw/zinc/33/81/59/608338159.db2.gz WEBXFIXLOQJMPQ-UHFFFAOYSA-N -1 3 399.418 2.461 20 30 GEEDHM Cn1cc(C#N)c(NC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826358485 608338162 /nfs/dbraw/zinc/33/81/62/608338162.db2.gz WEBXFIXLOQJMPQ-UHFFFAOYSA-N -1 3 399.418 2.461 20 30 GEEDHM C=CCOc1cccnc1C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000823932334 608473601 /nfs/dbraw/zinc/47/36/01/608473601.db2.gz VEUMLADQMABDBB-CYBMUJFWSA-N -1 3 381.392 2.451 20 30 GEEDHM C=CCOc1cccnc1C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000823932334 608473603 /nfs/dbraw/zinc/47/36/03/608473603.db2.gz VEUMLADQMABDBB-CYBMUJFWSA-N -1 3 381.392 2.451 20 30 GEEDHM N#Cc1cccc(OCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826387462 608480447 /nfs/dbraw/zinc/48/04/47/608480447.db2.gz WHMQWXTUDKZQTB-UHFFFAOYSA-N -1 3 386.415 2.433 20 30 GEEDHM N#Cc1cccc(OCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826387462 608480449 /nfs/dbraw/zinc/48/04/49/608480449.db2.gz WHMQWXTUDKZQTB-UHFFFAOYSA-N -1 3 386.415 2.433 20 30 GEEDHM Oc1cccc(C=NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1O ZINC000826511089 608527456 /nfs/dbraw/zinc/52/74/56/608527456.db2.gz BMZXEFRSOLDJGY-KEBDBYFISA-N -1 3 380.408 2.482 20 30 GEEDHM Oc1cccc(C=NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1O ZINC000826511089 608527457 /nfs/dbraw/zinc/52/74/57/608527457.db2.gz BMZXEFRSOLDJGY-KEBDBYFISA-N -1 3 380.408 2.482 20 30 GEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ncn(-c2ccccc2)n1 ZINC000823915546 608533526 /nfs/dbraw/zinc/53/35/26/608533526.db2.gz ZRXLNZBATGNOLW-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ncn(-c2ccccc2)n1 ZINC000823915546 608533527 /nfs/dbraw/zinc/53/35/27/608533527.db2.gz ZRXLNZBATGNOLW-UHFFFAOYSA-N -1 3 386.419 2.276 20 30 GEEDHM N#Cc1ccc(OC2CCC(NC(=O)c3cccc(-c4nnn[n-]4)c3)CC2)nc1 ZINC000826386245 608558738 /nfs/dbraw/zinc/55/87/38/608558738.db2.gz VXFFANPFVTVMJK-UHFFFAOYSA-N -1 3 389.419 2.253 20 30 GEEDHM N#Cc1ccc(OC2CCC(NC(=O)c3cccc(-c4nn[n-]n4)c3)CC2)nc1 ZINC000826386245 608558739 /nfs/dbraw/zinc/55/87/39/608558739.db2.gz VXFFANPFVTVMJK-UHFFFAOYSA-N -1 3 389.419 2.253 20 30 GEEDHM N#CC1(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000826380282 609157222 /nfs/dbraw/zinc/15/72/22/609157222.db2.gz UHRAKOQFTOBCNO-UHFFFAOYSA-N -1 3 385.424 2.279 20 30 GEEDHM N#CC1(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000826380282 609157224 /nfs/dbraw/zinc/15/72/24/609157224.db2.gz UHRAKOQFTOBCNO-UHFFFAOYSA-N -1 3 385.424 2.279 20 30 GEEDHM C=CCNC(=O)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823919672 609269934 /nfs/dbraw/zinc/26/99/34/609269934.db2.gz MPFUASSXLSNPIU-UHFFFAOYSA-N -1 3 393.407 2.083 20 30 GEEDHM C=CCNC(=O)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823919672 609269936 /nfs/dbraw/zinc/26/99/36/609269936.db2.gz MPFUASSXLSNPIU-UHFFFAOYSA-N -1 3 393.407 2.083 20 30 GEEDHM N#Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)s1 ZINC000826385124 609287673 /nfs/dbraw/zinc/28/76/73/609287673.db2.gz YEVPFGAGXRHBAM-UHFFFAOYSA-N -1 3 380.368 2.377 20 30 GEEDHM Cc1nnc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(C#N)c1C ZINC000826337532 609306289 /nfs/dbraw/zinc/30/62/89/609306289.db2.gz RTYSDFMZVBVHNV-UHFFFAOYSA-N -1 3 391.420 2.488 20 30 GEEDHM Cc1nnc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(C#N)c1C ZINC000826337532 609306290 /nfs/dbraw/zinc/30/62/90/609306290.db2.gz RTYSDFMZVBVHNV-UHFFFAOYSA-N -1 3 391.420 2.488 20 30 GEEDHM Cn1cc(CN=Nc2ncccc2[N+](=O)[O-])c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360723 609306406 /nfs/dbraw/zinc/30/64/06/609306406.db2.gz VLMCFHHYAUYFID-UHFFFAOYSA-N -1 3 390.367 2.016 20 30 GEEDHM Cn1cc(CN=Nc2ncccc2[N+](=O)[O-])c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360723 609306408 /nfs/dbraw/zinc/30/64/08/609306408.db2.gz VLMCFHHYAUYFID-UHFFFAOYSA-N -1 3 390.367 2.016 20 30 GEEDHM N#Cc1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC000826384165 609383712 /nfs/dbraw/zinc/38/37/12/609383712.db2.gz JLTXREATEMGAPS-UHFFFAOYSA-N -1 3 381.377 2.377 20 30 GEEDHM N#Cc1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC000826384165 609383714 /nfs/dbraw/zinc/38/37/14/609383714.db2.gz JLTXREATEMGAPS-UHFFFAOYSA-N -1 3 381.377 2.377 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H](Sc3ccc(-c4nnn[n-]4)cn3)C2=O)cc1 ZINC000826385367 609419123 /nfs/dbraw/zinc/41/91/23/609419123.db2.gz JCZMVAMTILYCIN-HNNXBMFYSA-N -1 3 377.433 2.421 20 30 GEEDHM N#Cc1ccc(N2CCC[C@H](Sc3ccc(-c4nn[n-]n4)cn3)C2=O)cc1 ZINC000826385367 609419125 /nfs/dbraw/zinc/41/91/25/609419125.db2.gz JCZMVAMTILYCIN-HNNXBMFYSA-N -1 3 377.433 2.421 20 30 GEEDHM N#Cc1ccc(O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(F)c1 ZINC000826385977 609435983 /nfs/dbraw/zinc/43/59/83/609435983.db2.gz KDZSMMMWMYBDRY-QGZVFWFLSA-N -1 3 378.367 2.452 20 30 GEEDHM N#Cc1ccc(O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(F)c1 ZINC000826385977 609435984 /nfs/dbraw/zinc/43/59/84/609435984.db2.gz KDZSMMMWMYBDRY-QGZVFWFLSA-N -1 3 378.367 2.452 20 30 GEEDHM CCOc1cc(C#N)ccc1OS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825615873 609512165 /nfs/dbraw/zinc/51/21/65/609512165.db2.gz OCCPLBCRCBDTCR-UHFFFAOYSA-N -1 3 385.405 2.046 20 30 GEEDHM CCOc1cc(C#N)ccc1OS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825615873 609512167 /nfs/dbraw/zinc/51/21/67/609512167.db2.gz OCCPLBCRCBDTCR-UHFFFAOYSA-N -1 3 385.405 2.046 20 30 GEEDHM Cc1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)nn1-c1cccc(C#N)c1 ZINC000826260002 609520588 /nfs/dbraw/zinc/52/05/88/609520588.db2.gz QRCTWJBWZVTUCH-UHFFFAOYSA-N -1 3 384.403 2.163 20 30 GEEDHM Cc1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)nn1-c1cccc(C#N)c1 ZINC000826260002 609520589 /nfs/dbraw/zinc/52/05/89/609520589.db2.gz QRCTWJBWZVTUCH-UHFFFAOYSA-N -1 3 384.403 2.163 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(Cl)c1 ZINC000826386332 609531401 /nfs/dbraw/zinc/53/14/01/609531401.db2.gz ZZALMEWGVNIZGK-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM N#Cc1ccc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(Cl)c1 ZINC000826386332 609531403 /nfs/dbraw/zinc/53/14/03/609531403.db2.gz ZZALMEWGVNIZGK-UHFFFAOYSA-N -1 3 386.824 2.143 20 30 GEEDHM C#CCCCCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823841984 609611734 /nfs/dbraw/zinc/61/17/34/609611734.db2.gz WQALFFBBAJSKPL-QGZVFWFLSA-N -1 3 380.452 2.062 20 30 GEEDHM C#CCCCCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823841984 609611736 /nfs/dbraw/zinc/61/17/36/609611736.db2.gz WQALFFBBAJSKPL-QGZVFWFLSA-N -1 3 380.452 2.062 20 30 GEEDHM CS(=O)(=O)c1nccc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)n1 ZINC000459854645 650433619 /nfs/dbraw/zinc/43/36/19/650433619.db2.gz QMIJMEIEBTYAOT-UHFFFAOYSA-N -1 3 376.463 2.334 20 30 GEEDHM N#CCC1(O)CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000506365383 650444400 /nfs/dbraw/zinc/44/44/00/650444400.db2.gz WCXFYKKVICVWEP-UHFFFAOYSA-N -1 3 396.628 2.045 20 30 GEEDHM CN(CCC#N)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000067509472 642970512 /nfs/dbraw/zinc/97/05/12/642970512.db2.gz GCTGCMVPLSSCFF-UHFFFAOYSA-N -1 3 376.265 2.420 20 30 GEEDHM CC(C)(C)CN(CCC#N)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000104627953 643186681 /nfs/dbraw/zinc/18/66/81/643186681.db2.gz QMOLLAZDSWIEGJ-UHFFFAOYSA-N -1 3 377.919 2.468 20 30 GEEDHM COC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(OC(F)F)cc1 ZINC000538121335 650830372 /nfs/dbraw/zinc/83/03/72/650830372.db2.gz LFIWEJIQAGNNAW-CYBMUJFWSA-N -1 3 376.381 2.115 20 30 GEEDHM N#CCCCCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000171595161 644329088 /nfs/dbraw/zinc/32/90/88/644329088.db2.gz JQAATHUEASTOIP-UHFFFAOYSA-N -1 3 378.281 2.472 20 30 GEEDHM Cc1nc([C@@H]([N-]S(=O)(=O)N(C)C[C@@H](C)C#N)c2ccc(Cl)cc2)no1 ZINC000281696999 646789201 /nfs/dbraw/zinc/78/92/01/646789201.db2.gz BEURVZAXLAPUSE-HZMBPMFUSA-N -1 3 383.861 2.047 20 30 GEEDHM N#CC1(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCOCC1 ZINC000332624780 647448629 /nfs/dbraw/zinc/44/86/29/647448629.db2.gz RYGDTOPLVIZRRI-UHFFFAOYSA-N -1 3 376.210 2.093 20 30 GEEDHM N#CCC1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000333386892 647470843 /nfs/dbraw/zinc/47/08/43/647470843.db2.gz GIAWRFAVLSAYOK-CQSZACIVSA-N -1 3 385.848 2.198 20 30 GEEDHM C=CCCC[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000441083743 648819253 /nfs/dbraw/zinc/81/92/53/648819253.db2.gz GZAKZJSMVLFNPO-LBPRGKRZSA-N -1 3 375.441 2.287 20 30 GEEDHM CC[C@](C)(C#N)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552926525 651161128 /nfs/dbraw/zinc/16/11/28/651161128.db2.gz NIRMBCBXTHHHFK-CQSZACIVSA-N -1 3 378.281 2.328 20 30 GEEDHM C=CCCO[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000561124713 651474522 /nfs/dbraw/zinc/47/45/22/651474522.db2.gz UPROWDUKWSROKT-NSHDSACASA-N -1 3 395.308 2.369 20 30 GEEDHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(C#N)c1 ZINC000610360800 651657926 /nfs/dbraw/zinc/65/79/26/651657926.db2.gz HBPAECGLGOINPU-SNVBAGLBSA-N -1 3 383.882 2.429 20 30 GEEDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000734119912 651736736 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GEEDHM N#Cc1cc(COC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1F ZINC000758944772 652558673 /nfs/dbraw/zinc/55/86/73/652558673.db2.gz YQGLVGWXSPHOKO-UHFFFAOYSA-N -1 3 388.829 2.434 20 30 GEEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2sc(Br)cc2C)nn1 ZINC000632635268 652569753 /nfs/dbraw/zinc/56/97/53/652569753.db2.gz ODSVGTTURVPHTR-UHFFFAOYSA-N -1 3 391.316 2.465 20 30 GEEDHM COC(=O)COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593578937 652625881 /nfs/dbraw/zinc/62/58/81/652625881.db2.gz RBNFZUMVVVGJII-LLVKDONJSA-N -1 3 380.447 2.211 20 30 GEEDHM COc1ccc(C=NNC(=S)NCCSC)c(Br)c1[O-] ZINC000761010650 652630182 /nfs/dbraw/zinc/63/01/82/652630182.db2.gz AUZPTHDLQMYJBT-UHFFFAOYSA-N -1 3 378.317 2.324 20 30 GEEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000601525140 653107031 /nfs/dbraw/zinc/10/70/31/653107031.db2.gz XXOYZLFEBFKBAM-LDWIPMOCSA-N -1 3 376.278 2.167 20 30 GEEDHM C#C[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)[C@H]1CCCO1 ZINC000773055193 653177751 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COc1cc(C=NOC[C@@H]2CCOC2)cc(I)c1[O-] ZINC000788028829 653747940 /nfs/dbraw/zinc/74/79/40/653747940.db2.gz BLVUKFNGTHETKF-SECBINFHSA-N -1 3 377.178 2.392 20 30 GEEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC000820119579 653767119 /nfs/dbraw/zinc/76/71/19/653767119.db2.gz BKXXXWOKSUJTPX-SECBINFHSA-N -1 3 385.111 2.327 20 30 GEEDHM CC[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1csc(C)c1 ZINC000843735393 653792789 /nfs/dbraw/zinc/79/27/89/653792789.db2.gz SWSCJSAANIRRMJ-AWEZNQCLSA-N -1 3 377.491 2.363 20 30 GEEDHM C[C@H](CC(=O)OC[C@]1(C)C[C@@]1(F)Cl)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000821878682 653810645 /nfs/dbraw/zinc/81/06/45/653810645.db2.gz GUSDQSUZBARBMR-VFVAKGGASA-N -1 3 388.848 2.362 20 30 GEEDHM Cn1cc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)c(Br)n1 ZINC000866995821 653862532 /nfs/dbraw/zinc/86/25/32/653862532.db2.gz KMLXMVDXRHIVKO-UHFFFAOYSA-N -1 3 381.255 2.022 20 30 GEEDHM Brc1n[n-]c(Br)c1CN=Nc1nc2ccccn2n1 ZINC000793052692 653864409 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CCOc1cc(C=NNC(=S)N[C@H](C)COC)cc(Br)c1[O-] ZINC000916281215 654089995 /nfs/dbraw/zinc/08/99/95/654089995.db2.gz KFCXSTYHGGICEZ-SECBINFHSA-N -1 3 390.303 2.386 20 30 GEEDHM C#CCC1(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCCCC1 ZINC000922029244 654357656 /nfs/dbraw/zinc/35/76/56/654357656.db2.gz SWDHQPXBVGLQQT-UHFFFAOYSA-N -1 3 388.486 2.202 20 30 GEEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000922054990 654361617 /nfs/dbraw/zinc/36/16/17/654361617.db2.gz QRNQTXZTXYWRHN-VIFPVBQESA-N -1 3 375.248 2.400 20 30 GEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc(Br)no1 ZINC000854709001 654377715 /nfs/dbraw/zinc/37/77/15/654377715.db2.gz SFIVKHZXKBGAGO-UHFFFAOYSA-N -1 3 379.214 2.275 20 30 GEEDHM O=C([C@H]1CC[C@@H](C(F)(F)F)[N-]C1=O)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927288810 654598243 /nfs/dbraw/zinc/59/82/43/654598243.db2.gz LINXXSPDYGKHKD-LAEOZQHASA-N -1 3 376.272 2.337 20 30 GEEDHM C#CCN(C)CCCNC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000909038517 654650985 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