smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1NNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737435923 945069081 /nfs/dbraw/zinc/06/90/81/945069081.db2.gz NXPOVJDBWNERJX-UHFFFAOYSA-N -1 3 386.415 3.724 20 50 GHGDHM Cc1ccccc1NNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737435923 945069092 /nfs/dbraw/zinc/06/90/92/945069092.db2.gz NXPOVJDBWNERJX-UHFFFAOYSA-N -1 3 386.415 3.724 20 50 GHGDHM COc1ccc(C=C(C#N)c2nc3cc(F)ccc3s2)cc1-c1nnn[n-]1 ZINC000737077104 944947734 /nfs/dbraw/zinc/94/77/34/944947734.db2.gz RNHAVOHMRCQYNC-WDZFZDKYSA-N -1 3 378.392 3.688 20 50 GHGDHM COc1ccc(C=C(C#N)c2nc3cc(F)ccc3s2)cc1-c1nn[n-]n1 ZINC000737077104 944947744 /nfs/dbraw/zinc/94/77/44/944947744.db2.gz RNHAVOHMRCQYNC-WDZFZDKYSA-N -1 3 378.392 3.688 20 50 GHGDHM C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321170 945414129 /nfs/dbraw/zinc/41/41/29/945414129.db2.gz BWTOMDQZBAEFTA-IUODEOHRSA-N -1 3 377.539 3.758 20 50 GHGDHM C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321170 945414134 /nfs/dbraw/zinc/41/41/34/945414134.db2.gz BWTOMDQZBAEFTA-IUODEOHRSA-N -1 3 377.539 3.758 20 50 GHGDHM Cc1c(NC(=O)NN(Cc2ccccc2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822105867 945962377 /nfs/dbraw/zinc/96/23/77/945962377.db2.gz XQMVDQSRRFGEHC-UHFFFAOYSA-N -1 3 399.458 3.918 20 50 GHGDHM Cc1c(NC(=O)NN(Cc2ccccc2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822105867 945962388 /nfs/dbraw/zinc/96/23/88/945962388.db2.gz XQMVDQSRRFGEHC-UHFFFAOYSA-N -1 3 399.458 3.918 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000822795636 946174073 /nfs/dbraw/zinc/17/40/73/946174073.db2.gz DTCBASZKDTXGCK-FPYGCLRLSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000822795636 946174079 /nfs/dbraw/zinc/17/40/79/946174079.db2.gz DTCBASZKDTXGCK-FPYGCLRLSA-N -1 3 391.243 3.781 20 50 GHGDHM Cc1ccc(Nc2ccccc2C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826291862 607731540 /nfs/dbraw/zinc/73/15/40/607731540.db2.gz ZDQDVNLECKDODU-UHFFFAOYSA-N -1 3 385.431 3.676 20 50 GHGDHM Cc1ccc(Nc2ccccc2C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826291862 607731542 /nfs/dbraw/zinc/73/15/42/607731542.db2.gz ZDQDVNLECKDODU-UHFFFAOYSA-N -1 3 385.431 3.676 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000826379483 607883552 /nfs/dbraw/zinc/88/35/52/607883552.db2.gz SQORIGGNALGWIQ-YRNVUSSQSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000826379483 607883553 /nfs/dbraw/zinc/88/35/53/607883553.db2.gz SQORIGGNALGWIQ-YRNVUSSQSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1c(Cl)cccc1Cl ZINC000826378874 607883564 /nfs/dbraw/zinc/88/35/64/607883564.db2.gz CLKHWYXDDGRCGD-FLIBITNWSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1c(Cl)cccc1Cl ZINC000826378874 607883565 /nfs/dbraw/zinc/88/35/65/607883565.db2.gz CLKHWYXDDGRCGD-FLIBITNWSA-N -1 3 385.214 3.719 20 50 GHGDHM Cc1cc(C)c(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)c1 ZINC000826263378 608074824 /nfs/dbraw/zinc/07/48/24/608074824.db2.gz XXBIJRPADHITFC-UHFFFAOYSA-N -1 3 390.369 3.568 20 50 GHGDHM Cc1cc(C)c(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)c1 ZINC000826263378 608074825 /nfs/dbraw/zinc/07/48/25/608074825.db2.gz XXBIJRPADHITFC-UHFFFAOYSA-N -1 3 390.369 3.568 20 50 GHGDHM CCCCn1nc(C)c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000825302068 608214395 /nfs/dbraw/zinc/21/43/95/608214395.db2.gz VKFYSCBSOZQKKK-XNTDXEJSSA-N -1 3 395.854 3.615 20 50 GHGDHM CCCCn1nc(C)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000825302068 608214397 /nfs/dbraw/zinc/21/43/97/608214397.db2.gz VKFYSCBSOZQKKK-XNTDXEJSSA-N -1 3 395.854 3.615 20 50 GHGDHM N#CC(=Cc1ncc(-c2ccccc2)s1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379600 608215943 /nfs/dbraw/zinc/21/59/43/608215943.db2.gz WNJNFUNFZJPULD-YBEGLDIGSA-N -1 3 384.424 3.780 20 50 GHGDHM N#CC(=Cc1ncc(-c2ccccc2)s1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379600 608215945 /nfs/dbraw/zinc/21/59/45/608215945.db2.gz WNJNFUNFZJPULD-YBEGLDIGSA-N -1 3 384.424 3.780 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000826447891 608814929 /nfs/dbraw/zinc/81/49/29/608814929.db2.gz AHBQWIZFOWASIX-UHFFFAOYSA-N -1 3 391.357 3.510 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000826447891 608814931 /nfs/dbraw/zinc/81/49/31/608814931.db2.gz AHBQWIZFOWASIX-UHFFFAOYSA-N -1 3 391.357 3.510 20 50 GHGDHM CCN(C(=O)[C@H](Br)C(C)(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362237 609268893 /nfs/dbraw/zinc/26/88/93/609268893.db2.gz KJTNPDMRPKNILR-FZMZJTMJSA-N -1 3 394.317 3.586 20 50 GHGDHM CCN(C(=O)[C@H](Br)C(C)(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362237 609268895 /nfs/dbraw/zinc/26/88/95/609268895.db2.gz KJTNPDMRPKNILR-FZMZJTMJSA-N -1 3 394.317 3.586 20 50 GHGDHM CC[C@H](C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820843344 945569483 /nfs/dbraw/zinc/56/94/83/945569483.db2.gz WRQRMNRVGCATLY-ZDUSSCGKSA-N -1 3 390.369 3.522 20 50 GHGDHM CC[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820843344 945569492 /nfs/dbraw/zinc/56/94/92/945569492.db2.gz WRQRMNRVGCATLY-ZDUSSCGKSA-N -1 3 390.369 3.522 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc2ccccc21 ZINC000822796700 946187023 /nfs/dbraw/zinc/18/70/23/946187023.db2.gz WGJKYNASJUAJJY-YBEGLDIGSA-N -1 3 384.374 3.705 20 50 GHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc2ccccc21 ZINC000822796700 946187028 /nfs/dbraw/zinc/18/70/28/946187028.db2.gz WGJKYNASJUAJJY-YBEGLDIGSA-N -1 3 384.374 3.705 20 50 GHGDHM CC(C)(C)C(C)(C)CNC(=O)NNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001573806525 949493790 /nfs/dbraw/zinc/49/37/90/949493790.db2.gz SAWCGIZZIOPUGW-UHFFFAOYSA-N -1 3 399.421 3.584 20 50 GHGDHM O=C(CC1CCC(c2ccccc2)CC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404235 607343580 /nfs/dbraw/zinc/34/35/80/607343580.db2.gz TYYVDPOLUZMVAJ-UHFFFAOYSA-N -1 3 376.464 3.674 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1occc1CSc1ccccc1 ZINC000826447594 607347388 /nfs/dbraw/zinc/34/73/88/607347388.db2.gz MREPLYQOLKLIOJ-UHFFFAOYSA-N -1 3 392.444 3.509 20 50 GHGDHM COc1ccc(COC(=O)CCCC[C@@H]2CCSS2)cc1-c1nnn[n-]1 ZINC000826205298 607597549 /nfs/dbraw/zinc/59/75/49/607597549.db2.gz RFEZAGKPHAJRTN-CYBMUJFWSA-N -1 3 394.522 3.633 20 50 GHGDHM COc1ccc(COC(=O)CCCC[C@@H]2CCSS2)cc1-c1nn[n-]n1 ZINC000826205298 607597551 /nfs/dbraw/zinc/59/75/51/607597551.db2.gz RFEZAGKPHAJRTN-CYBMUJFWSA-N -1 3 394.522 3.633 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1SCc1ccco1 ZINC000826448961 607732444 /nfs/dbraw/zinc/73/24/44/607732444.db2.gz VERAWCATQKJHME-UHFFFAOYSA-N -1 3 392.444 3.509 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1SCc1ccco1 ZINC000826448961 607732446 /nfs/dbraw/zinc/73/24/46/607732446.db2.gz VERAWCATQKJHME-UHFFFAOYSA-N -1 3 392.444 3.509 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc(-c2ccncc2)cs1 ZINC000826378891 607916969 /nfs/dbraw/zinc/91/69/69/607916969.db2.gz CXRSETPYWVXVLO-QPEQYQDCSA-N -1 3 375.392 3.588 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc(-c2ccncc2)cs1 ZINC000826378891 607916970 /nfs/dbraw/zinc/91/69/70/607916970.db2.gz CXRSETPYWVXVLO-QPEQYQDCSA-N -1 3 375.392 3.588 20 50 GHGDHM N#CC(=Cc1cccc(OC(F)(F)F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379687 608217664 /nfs/dbraw/zinc/21/76/64/608217664.db2.gz YSKFUEUIXBKYQW-VGOFMYFVSA-N -1 3 385.305 3.555 20 50 GHGDHM N#CC(=Cc1cccc(OC(F)(F)F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379687 608217666 /nfs/dbraw/zinc/21/76/66/608217666.db2.gz YSKFUEUIXBKYQW-VGOFMYFVSA-N -1 3 385.305 3.555 20 50 GHGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(SC(C)C)cc1 ZINC000735447128 944655995 /nfs/dbraw/zinc/65/59/95/944655995.db2.gz JFSKQQUWKDZPLH-UHFFFAOYSA-N -1 3 380.477 3.521 20 50 GHGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(SC(C)C)cc1 ZINC000735447128 944656012 /nfs/dbraw/zinc/65/60/12/944656012.db2.gz JFSKQQUWKDZPLH-UHFFFAOYSA-N -1 3 380.477 3.521 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1cccc(Cl)c1Cl ZINC000822795945 946179829 /nfs/dbraw/zinc/17/98/29/946179829.db2.gz JFSDVLUKIWFJQS-XBXARRHUSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1cccc(Cl)c1Cl ZINC000822795945 946179837 /nfs/dbraw/zinc/17/98/37/946179837.db2.gz JFSDVLUKIWFJQS-XBXARRHUSA-N -1 3 391.243 3.781 20 50 GHGDHM O=C(CCCC[C@@H]1CCSS1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822955408 946233118 /nfs/dbraw/zinc/23/31/18/946233118.db2.gz UDULSIWJMSANAJ-GFCCVEGCSA-N -1 3 382.486 3.763 20 50 GHGDHM O=C(CCCC[C@@H]1CCSS1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822955408 946233125 /nfs/dbraw/zinc/23/31/25/946233125.db2.gz UDULSIWJMSANAJ-GFCCVEGCSA-N -1 3 382.486 3.763 20 50 GHGDHM CCC(CC)(C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000825089487 607350124 /nfs/dbraw/zinc/35/01/24/607350124.db2.gz GTRLWQJIARLMHN-UHFFFAOYSA-N -1 3 384.871 3.721 20 50 GHGDHM O=C(CC1CCC(c2ccccc2)CC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404116 607717821 /nfs/dbraw/zinc/71/78/21/607717821.db2.gz OORXWRGIAOFEEF-UHFFFAOYSA-N -1 3 376.464 3.674 20 50 GHGDHM O=C(CC1CCC(c2ccccc2)CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404116 607717822 /nfs/dbraw/zinc/71/78/22/607717822.db2.gz OORXWRGIAOFEEF-UHFFFAOYSA-N -1 3 376.464 3.674 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1OC1CCCC1 ZINC000826448588 607721961 /nfs/dbraw/zinc/72/19/61/607721961.db2.gz BMBBWOHRCFSVRE-UHFFFAOYSA-N -1 3 398.854 3.598 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1OC1CCCC1 ZINC000826448588 607721962 /nfs/dbraw/zinc/72/19/62/607721962.db2.gz BMBBWOHRCFSVRE-UHFFFAOYSA-N -1 3 398.854 3.598 20 50 GHGDHM C[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000824385078 607727688 /nfs/dbraw/zinc/72/76/88/607727688.db2.gz LEQBDNBDEFIFDO-LLVKDONJSA-N -1 3 390.369 3.522 20 50 GHGDHM C[C@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000824385078 607727690 /nfs/dbraw/zinc/72/76/90/607727690.db2.gz LEQBDNBDEFIFDO-LLVKDONJSA-N -1 3 390.369 3.522 20 50 GHGDHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404353 607728065 /nfs/dbraw/zinc/72/80/65/607728065.db2.gz XDFOYLANXHIWRX-FQEVSTJZSA-N -1 3 398.470 3.726 20 50 GHGDHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404353 607728067 /nfs/dbraw/zinc/72/80/67/607728067.db2.gz XDFOYLANXHIWRX-FQEVSTJZSA-N -1 3 398.470 3.726 20 50 GHGDHM O=C(NNc1ccccc1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826449195 608078747 /nfs/dbraw/zinc/07/87/47/608078747.db2.gz GLBUJUGMUXCAJB-UHFFFAOYSA-N -1 3 387.403 3.808 20 50 GHGDHM O=C(NNc1ccccc1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826449195 608078748 /nfs/dbraw/zinc/07/87/48/608078748.db2.gz GLBUJUGMUXCAJB-UHFFFAOYSA-N -1 3 387.403 3.808 20 50 GHGDHM N#CC(=Cc1cccc(OC2CCCC2)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378808 608215313 /nfs/dbraw/zinc/21/53/13/608215313.db2.gz ATIFQAWCPMGLSZ-WQRHYEAKSA-N -1 3 385.427 3.978 20 50 GHGDHM N#CC(=Cc1cccc(OC2CCCC2)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378808 608215315 /nfs/dbraw/zinc/21/53/15/608215315.db2.gz ATIFQAWCPMGLSZ-WQRHYEAKSA-N -1 3 385.427 3.978 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1CCC(F)(F)F ZINC000826448548 608818536 /nfs/dbraw/zinc/81/85/36/608818536.db2.gz ZHTZXZVIOYGNNM-UHFFFAOYSA-N -1 3 391.357 3.510 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1CCC(F)(F)F ZINC000826448548 608818539 /nfs/dbraw/zinc/81/85/39/608818539.db2.gz ZHTZXZVIOYGNNM-UHFFFAOYSA-N -1 3 391.357 3.510 20 50 GHGDHM CC(C)(C)c1ccc(C(=O)C(C#N)=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735649160 944684230 /nfs/dbraw/zinc/68/42/30/944684230.db2.gz YHBHRTDERQTUOU-MHWRWJLKSA-N -1 3 397.442 3.602 20 50 GHGDHM CC(C)(C)c1ccc(C(=O)C(C#N)=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735649160 944684242 /nfs/dbraw/zinc/68/42/42/944684242.db2.gz YHBHRTDERQTUOU-MHWRWJLKSA-N -1 3 397.442 3.602 20 50 GHGDHM Cc1cccc(NNC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737400239 945056712 /nfs/dbraw/zinc/05/67/12/945056712.db2.gz QRVXYSQMPNFWGJ-UHFFFAOYSA-N -1 3 386.415 3.724 20 50 GHGDHM Cc1cccc(NNC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737400239 945056723 /nfs/dbraw/zinc/05/67/23/945056723.db2.gz QRVXYSQMPNFWGJ-UHFFFAOYSA-N -1 3 386.415 3.724 20 50 GHGDHM CC(C)c1ccc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000820187818 945371117 /nfs/dbraw/zinc/37/11/17/945371117.db2.gz UENOHUUJMYELMW-UHFFFAOYSA-N -1 3 390.369 3.766 20 50 GHGDHM CC(C)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000820187818 945371127 /nfs/dbraw/zinc/37/11/27/945371127.db2.gz UENOHUUJMYELMW-UHFFFAOYSA-N -1 3 390.369 3.766 20 50 GHGDHM CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821476670 945704902 /nfs/dbraw/zinc/70/49/02/945704902.db2.gz QUEDNMCILFBOHG-UHFFFAOYSA-N -1 3 392.488 3.746 20 50 GHGDHM CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821476670 945704906 /nfs/dbraw/zinc/70/49/06/945704906.db2.gz QUEDNMCILFBOHG-UHFFFAOYSA-N -1 3 392.488 3.746 20 50 GHGDHM Cc1cc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1Cl ZINC000822176302 945968518 /nfs/dbraw/zinc/96/85/18/945968518.db2.gz IJUQRDCLBOLXOR-UHFFFAOYSA-N -1 3 396.760 3.604 20 50 GHGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1Cl ZINC000822176302 945968529 /nfs/dbraw/zinc/96/85/29/945968529.db2.gz IJUQRDCLBOLXOR-UHFFFAOYSA-N -1 3 396.760 3.604 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000822796740 946187614 /nfs/dbraw/zinc/18/76/14/946187614.db2.gz XFPDZFKAGFOJBA-WEVVVXLNSA-N -1 3 380.820 3.853 20 50 GHGDHM O=C(CCn1c2ccccc2c2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409936 607336066 /nfs/dbraw/zinc/33/60/66/607336066.db2.gz VEHVJGPZFIYSRE-UHFFFAOYSA-N -1 3 397.442 3.508 20 50 GHGDHM O=C(CCn1c2ccccc2c2ccccc21)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409936 607336068 /nfs/dbraw/zinc/33/60/68/607336068.db2.gz VEHVJGPZFIYSRE-UHFFFAOYSA-N -1 3 397.442 3.508 20 50 GHGDHM C=CCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000823932426 608213160 /nfs/dbraw/zinc/21/31/60/608213160.db2.gz XUXSZODLOHNWCG-CXUHLZMHSA-N -1 3 391.818 3.875 20 50 GHGDHM C=CCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000823932426 608213162 /nfs/dbraw/zinc/21/31/62/608213162.db2.gz XUXSZODLOHNWCG-CXUHLZMHSA-N -1 3 391.818 3.875 20 50 GHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c(OC(F)F)cc1C ZINC000826266141 608214898 /nfs/dbraw/zinc/21/48/98/608214898.db2.gz DDIZBPNIHNOVQO-CXUHLZMHSA-N -1 3 395.369 3.875 20 50 GHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(OC(F)F)cc1C ZINC000826266141 608214899 /nfs/dbraw/zinc/21/48/99/608214899.db2.gz DDIZBPNIHNOVQO-CXUHLZMHSA-N -1 3 395.369 3.875 20 50 GHGDHM CCCCCn1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000825276039 609259783 /nfs/dbraw/zinc/25/97/83/609259783.db2.gz NLUUZRNWIHZHPB-UHFFFAOYSA-N -1 3 389.463 3.769 20 50 GHGDHM CCCCCn1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000825276039 609259785 /nfs/dbraw/zinc/25/97/85/609259785.db2.gz NLUUZRNWIHZHPB-UHFFFAOYSA-N -1 3 389.463 3.769 20 50 GHGDHM CCCCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821077531 945630415 /nfs/dbraw/zinc/63/04/15/945630415.db2.gz KDVLQAXNGNAIRV-ZROIWOOFSA-N -1 3 378.461 3.816 20 50 GHGDHM CCCCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821077531 945630420 /nfs/dbraw/zinc/63/04/20/945630420.db2.gz KDVLQAXNGNAIRV-ZROIWOOFSA-N -1 3 378.461 3.816 20 50 GHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821492291 945709121 /nfs/dbraw/zinc/70/91/21/945709121.db2.gz KOABFPFHFCGYHJ-YVLHZVERSA-N -1 3 390.422 3.676 20 50 GHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821492291 945709127 /nfs/dbraw/zinc/70/91/27/945709127.db2.gz KOABFPFHFCGYHJ-YVLHZVERSA-N -1 3 390.422 3.676 20 50 GHGDHM C[C@H](NC(=O)NNc1ccccc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824505469 946748818 /nfs/dbraw/zinc/74/88/18/946748818.db2.gz DMTLIQPOVUYIHD-HNNXBMFYSA-N -1 3 399.458 3.921 20 50 GHGDHM C[C@H](NC(=O)NNc1ccccc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824505469 946748826 /nfs/dbraw/zinc/74/88/26/946748826.db2.gz DMTLIQPOVUYIHD-HNNXBMFYSA-N -1 3 399.458 3.921 20 50 GHGDHM CC[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000825039763 607727586 /nfs/dbraw/zinc/72/75/86/607727586.db2.gz VUTOZOHFKRLJEE-HNNXBMFYSA-N -1 3 390.369 3.522 20 50 GHGDHM CC[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000825039763 607727588 /nfs/dbraw/zinc/72/75/88/607727588.db2.gz VUTOZOHFKRLJEE-HNNXBMFYSA-N -1 3 390.369 3.522 20 50 GHGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1sccc1C1CC1 ZINC000823280622 606129176 /nfs/dbraw/zinc/12/91/76/606129176.db2.gz DRUVZUAHPGUCPN-UHFFFAOYSA-N -1 3 394.382 3.581 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1sccc1C1CC1 ZINC000823280622 606129177 /nfs/dbraw/zinc/12/91/77/606129177.db2.gz DRUVZUAHPGUCPN-UHFFFAOYSA-N -1 3 394.382 3.581 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(Cl)c1Cl ZINC000826379633 607883789 /nfs/dbraw/zinc/88/37/89/607883789.db2.gz XKEPUWPROUDJMR-FLIBITNWSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(Cl)c1Cl ZINC000826379633 607883790 /nfs/dbraw/zinc/88/37/90/607883790.db2.gz XKEPUWPROUDJMR-FLIBITNWSA-N -1 3 385.214 3.719 20 50 GHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c(OC(F)F)cc1C ZINC000826266142 608214853 /nfs/dbraw/zinc/21/48/53/608214853.db2.gz DDIZBPNIHNOVQO-SXGWCWSVSA-N -1 3 395.369 3.875 20 50 GHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(OC(F)F)cc1C ZINC000826266142 608214854 /nfs/dbraw/zinc/21/48/54/608214854.db2.gz DDIZBPNIHNOVQO-SXGWCWSVSA-N -1 3 395.369 3.875 20 50 GHGDHM N#CC(=Cc1ccc(Br)c(F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379321 608215841 /nfs/dbraw/zinc/21/58/41/608215841.db2.gz ORXJJBVIPXFSHO-MLPAPPSSSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1ccc(Br)c(F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379321 608215842 /nfs/dbraw/zinc/21/58/42/608215842.db2.gz ORXJJBVIPXFSHO-MLPAPPSSSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379736 608288846 /nfs/dbraw/zinc/28/88/46/608288846.db2.gz ZYSJQXJIMKCCBN-UITAMQMPSA-N -1 3 393.325 3.876 20 50 GHGDHM O=C(NNc1ccc(F)cc1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738137972 945249916 /nfs/dbraw/zinc/24/99/16/945249916.db2.gz VVQYCMKKNGBEKQ-UHFFFAOYSA-N -1 3 389.394 3.506 20 50 GHGDHM COc1ccc(C=C(C#N)c2nc3cc(F)ccc3s2)cc1-c1nnn[n-]1 ZINC000737077100 944948960 /nfs/dbraw/zinc/94/89/60/944948960.db2.gz RNHAVOHMRCQYNC-IZZDOVSWSA-N -1 3 378.392 3.688 20 50 GHGDHM COc1ccc(C=C(C#N)c2nc3cc(F)ccc3s2)cc1-c1nn[n-]n1 ZINC000737077100 944948972 /nfs/dbraw/zinc/94/89/72/944948972.db2.gz RNHAVOHMRCQYNC-IZZDOVSWSA-N -1 3 378.392 3.688 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737077180 944949308 /nfs/dbraw/zinc/94/93/08/944949308.db2.gz SJMBYXCSNWAEKT-MDWZMJQESA-N -1 3 399.332 3.684 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737077180 944949311 /nfs/dbraw/zinc/94/93/11/944949311.db2.gz SJMBYXCSNWAEKT-MDWZMJQESA-N -1 3 399.332 3.684 20 50 GHGDHM Cc1ccc(F)c(NNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000822240100 946027420 /nfs/dbraw/zinc/02/74/20/946027420.db2.gz RWXQSRVKEKETFX-UHFFFAOYSA-N -1 3 388.406 3.738 20 50 GHGDHM Cc1ccc(F)c(NNC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1 ZINC000822240100 946027433 /nfs/dbraw/zinc/02/74/33/946027433.db2.gz RWXQSRVKEKETFX-UHFFFAOYSA-N -1 3 388.406 3.738 20 50 GHGDHM CC(C)Cc1ccc([C@@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC001591484884 992614246 /nfs/dbraw/zinc/61/42/46/992614246.db2.gz WBZZYJPUFZQCDC-HXUWFJFHSA-N -1 3 398.507 3.512 20 50 GHGDHM Cc1ccc(Cl)cc1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826289316 607807238 /nfs/dbraw/zinc/80/72/38/607807238.db2.gz VGCDNPSPOYVHPL-UHFFFAOYSA-N -1 3 396.760 3.604 20 50 GHGDHM Cc1ccc(Cl)cc1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826289316 607807239 /nfs/dbraw/zinc/80/72/39/607807239.db2.gz VGCDNPSPOYVHPL-UHFFFAOYSA-N -1 3 396.760 3.604 20 50 GHGDHM N#CC(=Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378950 608215244 /nfs/dbraw/zinc/21/52/44/608215244.db2.gz FTVPDOBQFIUQHP-RIYZIHGNSA-N -1 3 385.305 3.555 20 50 GHGDHM N#CC(=Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378950 608215245 /nfs/dbraw/zinc/21/52/45/608215245.db2.gz FTVPDOBQFIUQHP-RIYZIHGNSA-N -1 3 385.305 3.555 20 50 GHGDHM Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826286056 608216697 /nfs/dbraw/zinc/21/66/97/608216697.db2.gz RCYYTSGGULPKEF-NVNXTCNLSA-N -1 3 394.232 3.728 20 50 GHGDHM Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826286056 608216698 /nfs/dbraw/zinc/21/66/98/608216698.db2.gz RCYYTSGGULPKEF-NVNXTCNLSA-N -1 3 394.232 3.728 20 50 GHGDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCC[C@H]1CCSS1 ZINC000826171620 608347535 /nfs/dbraw/zinc/34/75/35/608347535.db2.gz SMWYXICJRBQXPI-AWEZNQCLSA-N -1 3 394.522 3.633 20 50 GHGDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCC[C@H]1CCSS1 ZINC000826171620 608347537 /nfs/dbraw/zinc/34/75/37/608347537.db2.gz SMWYXICJRBQXPI-AWEZNQCLSA-N -1 3 394.522 3.633 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc2c(c1)oc1ccccc12 ZINC000826448549 608807497 /nfs/dbraw/zinc/80/74/97/608807497.db2.gz ZNVZXOJCWQATBQ-UHFFFAOYSA-N -1 3 385.387 3.915 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc2c(c1)oc1ccccc12 ZINC000826448549 608807498 /nfs/dbraw/zinc/80/74/98/608807498.db2.gz ZNVZXOJCWQATBQ-UHFFFAOYSA-N -1 3 385.387 3.915 20 50 GHGDHM CCSc1ccc(Cl)cc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825674517 608811881 /nfs/dbraw/zinc/81/18/81/608811881.db2.gz NEEYZVHMWGZARF-UHFFFAOYSA-N -1 3 389.872 3.781 20 50 GHGDHM CCSc1ccc(Cl)cc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825674517 608811883 /nfs/dbraw/zinc/81/18/83/608811883.db2.gz NEEYZVHMWGZARF-UHFFFAOYSA-N -1 3 389.872 3.781 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000826379535 608880053 /nfs/dbraw/zinc/88/00/53/608880053.db2.gz UTOYNKAMVKTSCJ-GHXNOFRVSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000826379535 608880055 /nfs/dbraw/zinc/88/00/55/608880055.db2.gz UTOYNKAMVKTSCJ-GHXNOFRVSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1nc(-c2ccccc2)cs1 ZINC000737671610 945109218 /nfs/dbraw/zinc/10/92/18/945109218.db2.gz HRKCBTDIUWFORC-OVCLIPMQSA-N -1 3 396.439 3.702 20 50 GHGDHM N#CC(=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1nc(-c2ccccc2)cs1 ZINC000737671610 945109221 /nfs/dbraw/zinc/10/92/21/945109221.db2.gz HRKCBTDIUWFORC-OVCLIPMQSA-N -1 3 396.439 3.702 20 50 GHGDHM CC(C)C(CCc1ccc(Cl)cc1)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820021175 945330230 /nfs/dbraw/zinc/33/02/30/945330230.db2.gz QMBQKZFEUWXRIE-UHFFFAOYSA-N -1 3 396.882 3.895 20 50 GHGDHM CC(C)C(CCc1ccc(Cl)cc1)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820021175 945330240 /nfs/dbraw/zinc/33/02/40/945330240.db2.gz QMBQKZFEUWXRIE-UHFFFAOYSA-N -1 3 396.882 3.895 20 50 GHGDHM Cc1c(Cl)cccc1NNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737214997 945013647 /nfs/dbraw/zinc/01/36/47/945013647.db2.gz DDVJGOSCPIDAAO-UHFFFAOYSA-N -1 3 388.863 3.534 20 50 GHGDHM Cc1c(Cl)cccc1NNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737214997 945013656 /nfs/dbraw/zinc/01/36/56/945013656.db2.gz DDVJGOSCPIDAAO-UHFFFAOYSA-N -1 3 388.863 3.534 20 50 GHGDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820882700 945584481 /nfs/dbraw/zinc/58/44/81/945584481.db2.gz XREFDGUURUNRIN-ZBQKXELDSA-N -1 3 378.461 3.987 20 50 GHGDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820882700 945584487 /nfs/dbraw/zinc/58/44/87/945584487.db2.gz XREFDGUURUNRIN-ZBQKXELDSA-N -1 3 378.461 3.987 20 50 GHGDHM Cc1ccccc1C1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000826306057 607341694 /nfs/dbraw/zinc/34/16/94/607341694.db2.gz OTXXSWNGWMRGMY-UHFFFAOYSA-N -1 3 376.464 3.520 20 50 GHGDHM O=C(NNc1ccccc1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826449192 608810425 /nfs/dbraw/zinc/81/04/25/608810425.db2.gz GKHZFQOJEDUPMZ-UHFFFAOYSA-N -1 3 387.403 3.808 20 50 GHGDHM O=C(NNc1ccccc1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826449192 608810428 /nfs/dbraw/zinc/81/04/28/608810428.db2.gz GKHZFQOJEDUPMZ-UHFFFAOYSA-N -1 3 387.403 3.808 20 50 GHGDHM CC(C)C(CCc1ccc(Cl)cc1)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820021896 945332514 /nfs/dbraw/zinc/33/25/14/945332514.db2.gz ZYDFCAXRKGCRCN-UHFFFAOYSA-N -1 3 396.882 3.895 20 50 GHGDHM CC(C)C(CCc1ccc(Cl)cc1)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820021896 945332523 /nfs/dbraw/zinc/33/25/23/945332523.db2.gz ZYDFCAXRKGCRCN-UHFFFAOYSA-N -1 3 396.882 3.895 20 50 GHGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl ZINC000826249515 607646256 /nfs/dbraw/zinc/64/62/56/607646256.db2.gz GOQUWYACIQGRDQ-UHFFFAOYSA-N -1 3 397.653 3.892 20 50 GHGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl ZINC000826249515 607646258 /nfs/dbraw/zinc/64/62/58/607646258.db2.gz GOQUWYACIQGRDQ-UHFFFAOYSA-N -1 3 397.653 3.892 20 50 GHGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)n1C1CCCCC1 ZINC000826259889 607717546 /nfs/dbraw/zinc/71/75/46/607717546.db2.gz LCIFVQFGUFJNOP-UHFFFAOYSA-N -1 3 379.468 3.547 20 50 GHGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)n1C1CCCCC1 ZINC000826259889 607717549 /nfs/dbraw/zinc/71/75/49/607717549.db2.gz LCIFVQFGUFJNOP-UHFFFAOYSA-N -1 3 379.468 3.547 20 50 GHGDHM C[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000824384322 607725065 /nfs/dbraw/zinc/72/50/65/607725065.db2.gz AEURZFVTFGANHA-NSHDSACASA-N -1 3 390.369 3.522 20 50 GHGDHM C[C@@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000824384322 607725066 /nfs/dbraw/zinc/72/50/66/607725066.db2.gz AEURZFVTFGANHA-NSHDSACASA-N -1 3 390.369 3.522 20 50 GHGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2ccccc2c1 ZINC000823281817 606130338 /nfs/dbraw/zinc/13/03/38/606130338.db2.gz YPSYCJNLICTXNC-UHFFFAOYSA-N -1 3 398.348 3.796 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc2ccccc2c1 ZINC000823281817 606130339 /nfs/dbraw/zinc/13/03/39/606130339.db2.gz YPSYCJNLICTXNC-UHFFFAOYSA-N -1 3 398.348 3.796 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(Cl)c1Cl ZINC000826379632 607883801 /nfs/dbraw/zinc/88/38/01/607883801.db2.gz XKEPUWPROUDJMR-DHZHZOJOSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(Cl)c1Cl ZINC000826379632 607883802 /nfs/dbraw/zinc/88/38/02/607883802.db2.gz XKEPUWPROUDJMR-DHZHZOJOSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1cc(F)ccc1Br)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378969 608213637 /nfs/dbraw/zinc/21/36/37/608213637.db2.gz GBMKTDSRKQQAMR-QPEQYQDCSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1cc(F)ccc1Br)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378969 608213638 /nfs/dbraw/zinc/21/36/38/608213638.db2.gz GBMKTDSRKQQAMR-QPEQYQDCSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379129 608288666 /nfs/dbraw/zinc/28/86/66/608288666.db2.gz JPBGQQQEZZVDNZ-KPKJPENVSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379129 608288668 /nfs/dbraw/zinc/28/86/68/608288668.db2.gz JPBGQQQEZZVDNZ-KPKJPENVSA-N -1 3 387.296 3.814 20 50 GHGDHM CC(C)CC(=O)C(C#N)=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735758308 944699797 /nfs/dbraw/zinc/69/97/97/944699797.db2.gz GWCWNZKXIUDQNB-VXLYETTFSA-N -1 3 387.443 3.968 20 50 GHGDHM CC(C)CC(=O)C(C#N)=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735758308 944699800 /nfs/dbraw/zinc/69/98/00/944699800.db2.gz GWCWNZKXIUDQNB-VXLYETTFSA-N -1 3 387.443 3.968 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000822796739 946186855 /nfs/dbraw/zinc/18/68/55/946186855.db2.gz XFPDZFKAGFOJBA-UITAMQMPSA-N -1 3 380.820 3.853 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1c(Cl)cccc1Cl ZINC000822796690 946187432 /nfs/dbraw/zinc/18/74/32/946187432.db2.gz VWWDDJPGSKHUGT-XBXARRHUSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1c(Cl)cccc1Cl ZINC000822796690 946187437 /nfs/dbraw/zinc/18/74/37/946187437.db2.gz VWWDDJPGSKHUGT-XBXARRHUSA-N -1 3 391.243 3.781 20 50 GHGDHM Cc1ccc(NNC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000826291731 607457689 /nfs/dbraw/zinc/45/76/89/607457689.db2.gz SYLQJSCLDPQSOV-UHFFFAOYSA-N -1 3 385.431 3.676 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccccc2)ccc1Cl ZINC000826447935 607717744 /nfs/dbraw/zinc/71/77/44/607717744.db2.gz BKMDOAHZNHRNFU-UHFFFAOYSA-N -1 3 390.834 3.944 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccccc2)ccc1Cl ZINC000826447935 607717745 /nfs/dbraw/zinc/71/77/45/607717745.db2.gz BKMDOAHZNHRNFU-UHFFFAOYSA-N -1 3 390.834 3.944 20 50 GHGDHM O=C(CCCc1csc2ccccc12)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406962 607721096 /nfs/dbraw/zinc/72/10/96/607721096.db2.gz VMJQLUTXOUGPLA-UHFFFAOYSA-N -1 3 378.461 3.547 20 50 GHGDHM O=C(CCCc1csc2ccccc12)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406962 607721098 /nfs/dbraw/zinc/72/10/98/607721098.db2.gz VMJQLUTXOUGPLA-UHFFFAOYSA-N -1 3 378.461 3.547 20 50 GHGDHM CC(C)=CCSc1ccccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824178496 607732291 /nfs/dbraw/zinc/73/22/91/607732291.db2.gz VAKXSBPUYKLLSY-UHFFFAOYSA-N -1 3 380.477 3.682 20 50 GHGDHM CC(C)=CCSc1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824178496 607732293 /nfs/dbraw/zinc/73/22/93/607732293.db2.gz VAKXSBPUYKLLSY-UHFFFAOYSA-N -1 3 380.477 3.682 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000826379482 607883726 /nfs/dbraw/zinc/88/37/26/607883726.db2.gz SQORIGGNALGWIQ-XFFZJAGNSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000826379482 607883727 /nfs/dbraw/zinc/88/37/27/607883727.db2.gz SQORIGGNALGWIQ-XFFZJAGNSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379338 608288478 /nfs/dbraw/zinc/28/84/78/608288478.db2.gz PBKBKNOLNLBFCM-QPEQYQDCSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379338 608288480 /nfs/dbraw/zinc/28/84/80/608288480.db2.gz PBKBKNOLNLBFCM-QPEQYQDCSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1c(Cl)cccc1Cl ZINC000822795845 946176910 /nfs/dbraw/zinc/17/69/10/946176910.db2.gz IGSQZRLKUCFTGI-VURMDHGXSA-N -1 3 391.243 3.781 20 50 GHGDHM O=C(NN=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(-c2ccc(F)cc2)s1 ZINC000823273760 946388789 /nfs/dbraw/zinc/38/87/89/946388789.db2.gz WZYXTUQHGCCEEX-UHFFFAOYSA-N -1 3 398.448 3.560 20 50 GHGDHM O=C(NN=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(-c2ccc(F)cc2)s1 ZINC000823273760 946388802 /nfs/dbraw/zinc/38/88/02/946388802.db2.gz WZYXTUQHGCCEEX-UHFFFAOYSA-N -1 3 398.448 3.560 20 50 GHGDHM C[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000824385447 607337123 /nfs/dbraw/zinc/33/71/23/607337123.db2.gz UAMJIBXHNQWGQM-NSHDSACASA-N -1 3 390.369 3.522 20 50 GHGDHM C[C@@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000824385447 607337125 /nfs/dbraw/zinc/33/71/25/607337125.db2.gz UAMJIBXHNQWGQM-NSHDSACASA-N -1 3 390.369 3.522 20 50 GHGDHM Cc1ccc2c(c1)sc(C(=O)NNc1cccc(-c3nnn[n-]3)c1)c2Cl ZINC000826293132 607721210 /nfs/dbraw/zinc/72/12/10/607721210.db2.gz BZKJTPTZRZRMNC-UHFFFAOYSA-N -1 3 384.852 3.800 20 50 GHGDHM Cc1ccc2c(c1)sc(C(=O)NNc1cccc(-c3nn[n-]n3)c1)c2Cl ZINC000826293132 607721212 /nfs/dbraw/zinc/72/12/12/607721212.db2.gz BZKJTPTZRZRMNC-UHFFFAOYSA-N -1 3 384.852 3.800 20 50 GHGDHM N#CC(=Cc1csc(-c2cccs2)n1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379265 608213677 /nfs/dbraw/zinc/21/36/77/608213677.db2.gz NMFNIJXQBOMCEC-JYRVWZFOSA-N -1 3 390.453 3.842 20 50 GHGDHM N#CC(=Cc1csc(-c2cccs2)n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379265 608213678 /nfs/dbraw/zinc/21/36/78/608213678.db2.gz NMFNIJXQBOMCEC-JYRVWZFOSA-N -1 3 390.453 3.842 20 50 GHGDHM N#CC(=Cc1ccccc1OCC(F)(F)F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379020 608213719 /nfs/dbraw/zinc/21/37/19/608213719.db2.gz HJJMLVWNQGXOHK-NVNXTCNLSA-N -1 3 399.332 3.598 20 50 GHGDHM N#CC(=Cc1ccccc1OCC(F)(F)F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379020 608213720 /nfs/dbraw/zinc/21/37/20/608213720.db2.gz HJJMLVWNQGXOHK-NVNXTCNLSA-N -1 3 399.332 3.598 20 50 GHGDHM COc1ccc2cc(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000826213466 608215008 /nfs/dbraw/zinc/21/50/08/608215008.db2.gz XLTWEWHEIPWOFO-VXLYETTFSA-N -1 3 381.395 3.818 20 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608877139 /nfs/dbraw/zinc/87/71/39/608877139.db2.gz PPCVJBWHBVPVCC-XFFZJAGNSA-N -1 3 381.321 3.815 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc2ccccc2n1C(F)F ZINC000826379349 608877142 /nfs/dbraw/zinc/87/71/42/608877142.db2.gz PPCVJBWHBVPVCC-XFFZJAGNSA-N -1 3 381.321 3.815 20 50 GHGDHM O=C(NNc1c(F)cccc1F)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738136532 945235964 /nfs/dbraw/zinc/23/59/64/945235964.db2.gz GJJOJVNJVDQGOR-UHFFFAOYSA-N -1 3 392.369 3.569 20 50 GHGDHM O=C(NNc1c(F)cccc1F)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738136532 945235971 /nfs/dbraw/zinc/23/59/71/945235971.db2.gz GJJOJVNJVDQGOR-UHFFFAOYSA-N -1 3 392.369 3.569 20 50 GHGDHM CCCCc1oc2ccccc2c1C=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736467099 944828673 /nfs/dbraw/zinc/82/86/73/944828673.db2.gz URTHWIIHYGKXMI-UHFFFAOYSA-N -1 3 388.431 3.719 20 50 GHGDHM CCCCc1oc2ccccc2c1C=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736467099 944828677 /nfs/dbraw/zinc/82/86/77/944828677.db2.gz URTHWIIHYGKXMI-UHFFFAOYSA-N -1 3 388.431 3.719 20 50 GHGDHM C[C@@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820374227 945436816 /nfs/dbraw/zinc/43/68/16/945436816.db2.gz NEKMSCOGYAZVRG-SECBINFHSA-N -1 3 392.250 3.561 20 50 GHGDHM C[C@@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820374227 945436825 /nfs/dbraw/zinc/43/68/25/945436825.db2.gz NEKMSCOGYAZVRG-SECBINFHSA-N -1 3 392.250 3.561 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000822795847 946178199 /nfs/dbraw/zinc/17/81/99/946178199.db2.gz IJLLWDLWPXHHQS-BAQGIRSFSA-N -1 3 391.243 3.781 20 50 GHGDHM O=C(NNc1ccccc1F)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826449187 607338735 /nfs/dbraw/zinc/33/87/35/607338735.db2.gz FXSWPAAYEYWRST-UHFFFAOYSA-N -1 3 389.394 3.506 20 50 GHGDHM Cc1ccc(NNC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000826291835 607457375 /nfs/dbraw/zinc/45/73/75/607457375.db2.gz YBYLVUZKQZJMNL-UHFFFAOYSA-N -1 3 386.415 3.724 20 50 GHGDHM Cc1ccc(NNC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000826291835 607457376 /nfs/dbraw/zinc/45/73/76/607457376.db2.gz YBYLVUZKQZJMNL-UHFFFAOYSA-N -1 3 386.415 3.724 20 50 GHGDHM Cc1ccc(OC(F)F)c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826292515 608214856 /nfs/dbraw/zinc/21/48/56/608214856.db2.gz XXBBZKXNUBBCRP-DHDCSXOGSA-N -1 3 381.342 3.566 20 50 GHGDHM Cc1ccc(OC(F)F)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826292515 608214857 /nfs/dbraw/zinc/21/48/57/608214857.db2.gz XXBBZKXNUBBCRP-DHDCSXOGSA-N -1 3 381.342 3.566 20 50 GHGDHM N#CC(=Cc1csc(-c2ccsc2)n1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379252 608215367 /nfs/dbraw/zinc/21/53/67/608215367.db2.gz NFZXCHOJRDXIFZ-AUWJEWJLSA-N -1 3 390.453 3.842 20 50 GHGDHM N#CC(=Cc1csc(-c2ccsc2)n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379252 608215369 /nfs/dbraw/zinc/21/53/69/608215369.db2.gz NFZXCHOJRDXIFZ-AUWJEWJLSA-N -1 3 390.453 3.842 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000826448385 608810403 /nfs/dbraw/zinc/81/04/03/608810403.db2.gz SXLOYDLTWMVSQY-UHFFFAOYSA-N -1 3 392.448 3.502 20 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N#CC(=Cc1cnc(-c2cccs2)s1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379051 608219413 /nfs/dbraw/zinc/21/94/13/608219413.db2.gz HYQISBULHYNZDG-JYRVWZFOSA-N -1 3 390.453 3.842 20 50 GHGDHM C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824498022 609154390 /nfs/dbraw/zinc/15/43/90/609154390.db2.gz CBNLRDMOFVMSJL-CYBMUJFWSA-N -1 3 379.468 3.552 20 50 GHGDHM C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824498022 609154393 /nfs/dbraw/zinc/15/43/93/609154393.db2.gz CBNLRDMOFVMSJL-CYBMUJFWSA-N -1 3 379.468 3.552 20 50 GHGDHM N#CC(=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1ccccn1 ZINC000737672327 945108954 /nfs/dbraw/zinc/10/89/54/945108954.db2.gz MWBKTXOXDPIKJW-LDADJPATSA-N -1 3 380.411 3.905 20 50 GHGDHM N#CC(=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1ccccn1 ZINC000737672327 945108958 /nfs/dbraw/zinc/10/89/58/945108958.db2.gz MWBKTXOXDPIKJW-LDADJPATSA-N -1 3 380.411 3.905 20 50 GHGDHM O=C(CCCc1cc(Cl)sc1Cl)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826407048 607354112 /nfs/dbraw/zinc/35/41/12/607354112.db2.gz YQKZNVPPWJADPJ-UHFFFAOYSA-N -1 3 397.291 3.701 20 50 GHGDHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000826264019 607727565 /nfs/dbraw/zinc/72/75/65/607727565.db2.gz ZNNZZGRETXRUOG-UHFFFAOYSA-N -1 3 399.458 3.666 20 50 GHGDHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000826264019 607727567 /nfs/dbraw/zinc/72/75/67/607727567.db2.gz ZNNZZGRETXRUOG-UHFFFAOYSA-N -1 3 399.458 3.666 20 50 GHGDHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404354 607728167 /nfs/dbraw/zinc/72/81/67/607728167.db2.gz XDFOYLANXHIWRX-HXUWFJFHSA-N -1 3 398.470 3.726 20 50 GHGDHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404354 607728169 /nfs/dbraw/zinc/72/81/69/607728169.db2.gz XDFOYLANXHIWRX-HXUWFJFHSA-N -1 3 398.470 3.726 20 50 GHGDHM N#CC(=Cc1ccccc1C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379449 607884824 /nfs/dbraw/zinc/88/48/24/607884824.db2.gz RZKXHHOECFFLJY-MFOYZWKCSA-N -1 3 381.424 3.926 20 50 GHGDHM N#CC(=Cc1ccccc1C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826379449 607884825 /nfs/dbraw/zinc/88/48/25/607884825.db2.gz RZKXHHOECFFLJY-MFOYZWKCSA-N -1 3 381.424 3.926 20 50 GHGDHM O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826449451 608805593 /nfs/dbraw/zinc/80/55/93/608805593.db2.gz TZZKSIJBGFFXGE-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826449451 608805594 /nfs/dbraw/zinc/80/55/94/608805594.db2.gz TZZKSIJBGFFXGE-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000826448152 608812995 /nfs/dbraw/zinc/81/29/95/608812995.db2.gz KISBOTBSLDEIKU-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000826448152 608812998 /nfs/dbraw/zinc/81/29/98/608812998.db2.gz KISBOTBSLDEIKU-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM CC[C@@H](C)C(=O)C(C#N)=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736320787 944799269 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3.988 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000822796440 946185179 /nfs/dbraw/zinc/18/51/79/946185179.db2.gz RBDOOKTYUNJMEN-QPIMQUGISA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000822796440 946185185 /nfs/dbraw/zinc/18/51/85/946185185.db2.gz RBDOOKTYUNJMEN-QPIMQUGISA-N -1 3 391.243 3.781 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000826447091 607341338 /nfs/dbraw/zinc/34/13/38/607341338.db2.gz MHWWUTIBINTOTH-UHFFFAOYSA-N -1 3 392.369 3.569 20 50 GHGDHM CC(C)CC1(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCC1 ZINC000824235370 607394412 /nfs/dbraw/zinc/39/44/12/607394412.db2.gz GRUGTYKKYQUSBS-UHFFFAOYSA-N -1 3 382.390 3.545 20 50 GHGDHM CC(C)CC1(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCC1 ZINC000824235370 607394413 /nfs/dbraw/zinc/39/44/13/607394413.db2.gz GRUGTYKKYQUSBS-UHFFFAOYSA-N -1 3 382.390 3.545 20 50 GHGDHM O=C(CCCC[C@@H]1CCSS1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826405954 607421370 /nfs/dbraw/zinc/42/13/70/607421370.db2.gz AQDZHDDZXICFPT-OAHLLOKOSA-N -1 3 389.550 3.686 20 50 GHGDHM O=C(CCCC[C@@H]1CCSS1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826405954 607421372 /nfs/dbraw/zinc/42/13/72/607421372.db2.gz AQDZHDDZXICFPT-OAHLLOKOSA-N -1 3 389.550 3.686 20 50 GHGDHM Cc1cccc(C2(C(=O)NNc3cccc(-c4nnn[n-]4)c3)CCCCC2)c1 ZINC000826296851 607730297 /nfs/dbraw/zinc/73/02/97/607730297.db2.gz LRSISVIBUVGJLB-UHFFFAOYSA-N -1 3 376.464 3.520 20 50 GHGDHM Cc1cccc(C2(C(=O)NNc3cccc(-c4nn[n-]n4)c3)CCCCC2)c1 ZINC000826296851 607730298 /nfs/dbraw/zinc/73/02/98/607730298.db2.gz LRSISVIBUVGJLB-UHFFFAOYSA-N -1 3 376.464 3.520 20 50 GHGDHM O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823280560 606477546 /nfs/dbraw/zinc/47/75/46/606477546.db2.gz AYYIEPPQGIFBRV-UHFFFAOYSA-N -1 3 389.655 3.645 20 50 GHGDHM O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823280560 606477548 /nfs/dbraw/zinc/47/75/48/606477548.db2.gz AYYIEPPQGIFBRV-UHFFFAOYSA-N -1 3 389.655 3.645 20 50 GHGDHM CCN(CC)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825418077 608216046 /nfs/dbraw/zinc/21/60/46/608216046.db2.gz WXKTWHIQEOAAQA-LICLKQGHSA-N -1 3 390.422 3.642 20 50 GHGDHM CCN(CC)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825418077 608216048 /nfs/dbraw/zinc/21/60/48/608216048.db2.gz WXKTWHIQEOAAQA-LICLKQGHSA-N -1 3 390.422 3.642 20 50 GHGDHM Cc1ccc(-c2nc(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)co2)cc1 ZINC000826273860 608216647 /nfs/dbraw/zinc/21/66/47/608216647.db2.gz XJDPHUFNSPYMOM-LICLKQGHSA-N -1 3 382.383 3.620 20 50 GHGDHM Cc1ccc(-c2nc(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000826273860 608216649 /nfs/dbraw/zinc/21/66/49/608216649.db2.gz XJDPHUFNSPYMOM-LICLKQGHSA-N -1 3 382.383 3.620 20 50 GHGDHM N#CC(=Cc1cccc(OCC(F)(F)F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378961 608217121 /nfs/dbraw/zinc/21/71/21/608217121.db2.gz FWSMUZRWCLJLQM-VIZOYTHASA-N -1 3 399.332 3.598 20 50 GHGDHM N#CC(=Cc1cccc(OCC(F)(F)F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378961 608217123 /nfs/dbraw/zinc/21/71/23/608217123.db2.gz FWSMUZRWCLJLQM-VIZOYTHASA-N -1 3 399.332 3.598 20 50 GHGDHM N#CC(=Cc1cccc(-c2cccnc2)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378972 608217270 /nfs/dbraw/zinc/21/72/70/608217270.db2.gz GDJMCEMOKYLBMY-JAIQZWGSSA-N -1 3 378.395 3.719 20 50 GHGDHM N#CC(=Cc1cccc(-c2cccnc2)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378972 608217271 /nfs/dbraw/zinc/21/72/71/608217271.db2.gz GDJMCEMOKYLBMY-JAIQZWGSSA-N -1 3 378.395 3.719 20 50 GHGDHM CC(C)c1nc2ccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2s1 ZINC000824364748 608808833 /nfs/dbraw/zinc/80/88/33/608808833.db2.gz SQHFDGZKHANYDW-UHFFFAOYSA-N -1 3 394.464 3.748 20 50 GHGDHM CC(C)c1nc2ccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2s1 ZINC000824364748 608808834 /nfs/dbraw/zinc/80/88/34/608808834.db2.gz SQHFDGZKHANYDW-UHFFFAOYSA-N -1 3 394.464 3.748 20 50 GHGDHM O=C(NNc1ccccc1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826449096 608812873 /nfs/dbraw/zinc/81/28/73/608812873.db2.gz BPCMPEZOKUXPKK-UHFFFAOYSA-N -1 3 387.403 3.808 20 50 GHGDHM O=C(NNc1ccccc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826449096 608812875 /nfs/dbraw/zinc/81/28/75/608812875.db2.gz BPCMPEZOKUXPKK-UHFFFAOYSA-N -1 3 387.403 3.808 20 50 GHGDHM CCCCCn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000825276540 609260155 /nfs/dbraw/zinc/26/01/55/609260155.db2.gz ZNXMBTMBVBAZKX-UHFFFAOYSA-N -1 3 389.463 3.769 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(Br)s1 ZINC000822795824 946177894 /nfs/dbraw/zinc/17/78/94/946177894.db2.gz HRQLEIYKUFSRQL-ALCCZGGFSA-N -1 3 392.263 3.542 20 50 GHGDHM CCCCCCOc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825271703 607718818 /nfs/dbraw/zinc/71/88/18/607718818.db2.gz MJEYOXDEENWAET-UHFFFAOYSA-N -1 3 380.452 3.583 20 50 GHGDHM CCCCCCOc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825271703 607718819 /nfs/dbraw/zinc/71/88/19/607718819.db2.gz MJEYOXDEENWAET-UHFFFAOYSA-N -1 3 380.452 3.583 20 50 GHGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc2ccccc21 ZINC000823281504 606129853 /nfs/dbraw/zinc/12/98/53/606129853.db2.gz TWHNSNPNBAOZKI-UHFFFAOYSA-N -1 3 398.348 3.796 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc2ccccc21 ZINC000823281504 606129854 /nfs/dbraw/zinc/12/98/54/606129854.db2.gz TWHNSNPNBAOZKI-UHFFFAOYSA-N -1 3 398.348 3.796 20 50 GHGDHM N#CC(=Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378951 608215487 /nfs/dbraw/zinc/21/54/87/608215487.db2.gz FTVPDOBQFIUQHP-ZSOIEALJSA-N -1 3 385.305 3.555 20 50 GHGDHM N#CC(=Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378951 608215488 /nfs/dbraw/zinc/21/54/88/608215488.db2.gz FTVPDOBQFIUQHP-ZSOIEALJSA-N -1 3 385.305 3.555 20 50 GHGDHM CC(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000824347727 608215912 /nfs/dbraw/zinc/21/59/12/608215912.db2.gz LSAXIYFNIDWKAS-LZYBPNLTSA-N -1 3 388.387 3.688 20 50 GHGDHM CC(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000824347727 608215914 /nfs/dbraw/zinc/21/59/14/608215914.db2.gz LSAXIYFNIDWKAS-LZYBPNLTSA-N -1 3 388.387 3.688 20 50 GHGDHM N#CC(=Cc1cc(C(F)(F)F)ccc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379529 608216124 /nfs/dbraw/zinc/21/61/24/608216124.db2.gz UPHFWAPFVKTCTC-NTUHNPAUSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1cc(C(F)(F)F)ccc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379529 608216126 /nfs/dbraw/zinc/21/61/26/608216126.db2.gz UPHFWAPFVKTCTC-NTUHNPAUSA-N -1 3 387.296 3.814 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(CCC(F)(F)F)c1 ZINC000826448165 608814657 /nfs/dbraw/zinc/81/46/57/608814657.db2.gz KSAARZYUWCKKAS-UHFFFAOYSA-N -1 3 391.357 3.510 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(CCC(F)(F)F)c1 ZINC000826448165 608814660 /nfs/dbraw/zinc/81/46/60/608814660.db2.gz KSAARZYUWCKKAS-UHFFFAOYSA-N -1 3 391.357 3.510 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1sc2cc(F)ccc2c1Cl ZINC000826447777 607347467 /nfs/dbraw/zinc/34/74/67/607347467.db2.gz VMZJHCLZVQNDAQ-UHFFFAOYSA-N -1 3 388.815 3.631 20 50 GHGDHM Cc1sc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1-c1ccc(F)cc1 ZINC000826349842 607354271 /nfs/dbraw/zinc/35/42/71/607354271.db2.gz WQIJVNICMLAASQ-UHFFFAOYSA-N -1 3 394.435 3.800 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Nc1cccc2ccccc21 ZINC000826379323 607915932 /nfs/dbraw/zinc/91/59/32/607915932.db2.gz OSEFRBBSRCRKMG-XNTDXEJSSA-N -1 3 384.374 3.705 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)Nc1cccc2ccccc21 ZINC000826379323 607915933 /nfs/dbraw/zinc/91/59/33/607915933.db2.gz OSEFRBBSRCRKMG-XNTDXEJSSA-N -1 3 384.374 3.705 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)Nc1cccc2ccccc21 ZINC000826379322 607916198 /nfs/dbraw/zinc/91/61/98/607916198.db2.gz OSEFRBBSRCRKMG-GDNBJRDFSA-N -1 3 384.374 3.705 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)Nc1cccc2ccccc21 ZINC000826379322 607916199 /nfs/dbraw/zinc/91/61/99/607916199.db2.gz OSEFRBBSRCRKMG-GDNBJRDFSA-N -1 3 384.374 3.705 20 50 GHGDHM N#CC(=Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379624 608213562 /nfs/dbraw/zinc/21/35/62/608213562.db2.gz XFRAJTSVPFAJLQ-NVNXTCNLSA-N -1 3 399.332 3.598 20 50 GHGDHM N#CC(=Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379624 608213563 /nfs/dbraw/zinc/21/35/63/608213563.db2.gz XFRAJTSVPFAJLQ-NVNXTCNLSA-N -1 3 399.332 3.598 20 50 GHGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000826379012 608229848 /nfs/dbraw/zinc/22/98/48/608229848.db2.gz HBQLOASQRBPBNN-KPKJPENVSA-N -1 3 397.192 3.602 20 50 GHGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1Br ZINC000826379012 608229849 /nfs/dbraw/zinc/22/98/49/608229849.db2.gz HBQLOASQRBPBNN-KPKJPENVSA-N -1 3 397.192 3.602 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379737 608288563 /nfs/dbraw/zinc/28/85/63/608288563.db2.gz ZYSJQXJIMKCCBN-WEVVVXLNSA-N -1 3 393.325 3.876 20 50 GHGDHM O=C(CCCC[C@H]1CCSS1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822955224 946233580 /nfs/dbraw/zinc/23/35/80/946233580.db2.gz MVGMSCOLSAAYHC-ZDUSSCGKSA-N -1 3 382.486 3.763 20 50 GHGDHM O=C(CCCC[C@H]1CCSS1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822955224 946233590 /nfs/dbraw/zinc/23/35/90/946233590.db2.gz MVGMSCOLSAAYHC-ZDUSSCGKSA-N -1 3 382.486 3.763 20 50 GHGDHM CSc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(Cl)cc1Cl ZINC000826229921 607334341 /nfs/dbraw/zinc/33/43/41/607334341.db2.gz WUIDAGOMBNCCAW-UHFFFAOYSA-N -1 3 395.275 3.652 20 50 GHGDHM CSc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(Cl)cc1Cl ZINC000826229921 607334343 /nfs/dbraw/zinc/33/43/43/607334343.db2.gz WUIDAGOMBNCCAW-UHFFFAOYSA-N -1 3 395.275 3.652 20 50 GHGDHM C[C@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000824384556 607348750 /nfs/dbraw/zinc/34/87/50/607348750.db2.gz DNZHVLJKQPRTJW-LLVKDONJSA-N -1 3 390.369 3.522 20 50 GHGDHM N#CC(=Cc1ccccc1OCC(F)(F)F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379021 608213607 /nfs/dbraw/zinc/21/36/07/608213607.db2.gz HJJMLVWNQGXOHK-OVCLIPMQSA-N -1 3 399.332 3.598 20 50 GHGDHM N#CC(=Cc1ccccc1OCC(F)(F)F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379021 608213608 /nfs/dbraw/zinc/21/36/08/608213608.db2.gz HJJMLVWNQGXOHK-OVCLIPMQSA-N -1 3 399.332 3.598 20 50 GHGDHM N#CC(=Cc1ncc(-c2ccccc2)s1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379599 608216020 /nfs/dbraw/zinc/21/60/20/608216020.db2.gz WNJNFUNFZJPULD-MHWRWJLKSA-N -1 3 384.424 3.780 20 50 GHGDHM N#CC(=Cc1ncc(-c2ccccc2)s1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379599 608216021 /nfs/dbraw/zinc/21/60/21/608216021.db2.gz WNJNFUNFZJPULD-MHWRWJLKSA-N -1 3 384.424 3.780 20 50 GHGDHM N#CC(=Cc1ccc(F)c(C(F)(F)F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379289 608217896 /nfs/dbraw/zinc/21/78/96/608217896.db2.gz NZEMCSYQWQFABP-AWNIVKPZSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1ccc(F)c(C(F)(F)F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379289 608217897 /nfs/dbraw/zinc/21/78/97/608217897.db2.gz NZEMCSYQWQFABP-AWNIVKPZSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1cnc(-c2cccs2)s1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379052 608219281 /nfs/dbraw/zinc/21/92/81/608219281.db2.gz HYQISBULHYNZDG-MDWZMJQESA-N -1 3 390.453 3.842 20 50 GHGDHM N#CC(=Cc1cnc(-c2cccs2)s1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379052 608219283 /nfs/dbraw/zinc/21/92/83/608219283.db2.gz HYQISBULHYNZDG-MDWZMJQESA-N -1 3 390.453 3.842 20 50 GHGDHM N#CC(=Cc1cccc2nccn21)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379466 608754366 /nfs/dbraw/zinc/75/43/66/608754366.db2.gz SGYBJULUFMNBBO-GDNBJRDFSA-N -1 3 396.439 3.702 20 50 GHGDHM N#CC(=Cc1cccc2nccn21)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826379466 608754369 /nfs/dbraw/zinc/75/43/69/608754369.db2.gz SGYBJULUFMNBBO-GDNBJRDFSA-N -1 3 396.439 3.702 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737077177 944949188 /nfs/dbraw/zinc/94/91/88/944949188.db2.gz SJMBYXCSNWAEKT-JYRVWZFOSA-N -1 3 399.332 3.684 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737077177 944949192 /nfs/dbraw/zinc/94/91/92/944949192.db2.gz SJMBYXCSNWAEKT-JYRVWZFOSA-N -1 3 399.332 3.684 20 50 GHGDHM CCCn1c(C)cc(C=C(C#N)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1C ZINC000821143756 945641903 /nfs/dbraw/zinc/64/19/03/945641903.db2.gz XILUIQNKUFABMK-BOPFTXTBSA-N -1 3 389.463 3.549 20 50 GHGDHM CCCn1c(C)cc(C=C(C#N)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1C ZINC000821143756 945641906 /nfs/dbraw/zinc/64/19/06/945641906.db2.gz XILUIQNKUFABMK-BOPFTXTBSA-N -1 3 389.463 3.549 20 50 GHGDHM N#CC(=Cc1ccc(C#N)s1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822796741 946186957 /nfs/dbraw/zinc/18/69/57/946186957.db2.gz XFXSSOSLGKOHKX-NTUHNPAUSA-N -1 3 387.453 3.988 20 50 GHGDHM N#CC(=Cc1ccc(C#N)s1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822796741 946186967 /nfs/dbraw/zinc/18/69/67/946186967.db2.gz XFXSSOSLGKOHKX-NTUHNPAUSA-N -1 3 387.453 3.988 20 50 GHGDHM CC(C)(C)[C@@H]1CCc2sc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2C1 ZINC001573826005 949894835 /nfs/dbraw/zinc/89/48/35/949894835.db2.gz DTIUXSPLOOFRPO-CQSZACIVSA-N -1 3 396.520 3.836 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000826379417 607883729 /nfs/dbraw/zinc/88/37/29/607883729.db2.gz QYLCQILVQFERTB-WZUFQYTHSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000826379417 607883730 /nfs/dbraw/zinc/88/37/30/607883730.db2.gz QYLCQILVQFERTB-WZUFQYTHSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000826379410 607884779 /nfs/dbraw/zinc/88/47/79/607884779.db2.gz QWCKPZYBNGREEG-CXUHLZMHSA-N -1 3 381.424 3.926 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000826379410 607884780 /nfs/dbraw/zinc/88/47/80/607884780.db2.gz QWCKPZYBNGREEG-CXUHLZMHSA-N -1 3 381.424 3.926 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1c[nH]c2cc(Cl)ccc21 ZINC000826379270 607916172 /nfs/dbraw/zinc/91/61/72/607916172.db2.gz NOAZXQBOYJVOPM-WZUFQYTHSA-N -1 3 392.781 3.930 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1c[nH]c2cc(Cl)ccc21 ZINC000826379270 607916173 /nfs/dbraw/zinc/91/61/73/607916173.db2.gz NOAZXQBOYJVOPM-WZUFQYTHSA-N -1 3 392.781 3.930 20 50 GHGDHM N#CC(=Cc1ccc(F)c(Br)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378901 608215560 /nfs/dbraw/zinc/21/55/60/608215560.db2.gz DBEIPVFALOGDED-MLPAPPSSSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1ccc(F)c(Br)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378901 608215561 /nfs/dbraw/zinc/21/55/61/608215561.db2.gz DBEIPVFALOGDED-MLPAPPSSSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1ccc(F)cc1Br)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379041 608217328 /nfs/dbraw/zinc/21/73/28/608217328.db2.gz HVOILRQNGDMPSO-AWNIVKPZSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1ccc(F)cc1Br)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379041 608217329 /nfs/dbraw/zinc/21/73/29/608217329.db2.gz HVOILRQNGDMPSO-AWNIVKPZSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1ccc(F)c(C(F)(F)F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379290 608217700 /nfs/dbraw/zinc/21/77/00/608217700.db2.gz NZEMCSYQWQFABP-MLPAPPSSSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1ccc(F)c(C(F)(F)F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379290 608217702 /nfs/dbraw/zinc/21/77/02/608217702.db2.gz NZEMCSYQWQFABP-MLPAPPSSSA-N -1 3 387.296 3.814 20 50 GHGDHM Cc1cccc(NNC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826299533 609405218 /nfs/dbraw/zinc/40/52/18/609405218.db2.gz JSFXDNVVIGCBSD-UHFFFAOYSA-N -1 3 386.415 3.724 20 50 GHGDHM Cc1cccc(NNC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826299533 609405219 /nfs/dbraw/zinc/40/52/19/609405219.db2.gz JSFXDNVVIGCBSD-UHFFFAOYSA-N -1 3 386.415 3.724 20 50 GHGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccccc1C(F)(F)F ZINC000826446658 609498405 /nfs/dbraw/zinc/49/84/05/609498405.db2.gz UAWCUFHOUQLRHW-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1ccccc1C(F)(F)F ZINC000826446658 609498406 /nfs/dbraw/zinc/49/84/06/609498406.db2.gz UAWCUFHOUQLRHW-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM Cc1ncsc1C=C(C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822481723 946100913 /nfs/dbraw/zinc/10/09/13/946100913.db2.gz CNEWOVBBUDDMKS-MLPAPPSSSA-N -1 3 377.458 3.819 20 50 GHGDHM Cc1ncsc1C=C(C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822481723 946100918 /nfs/dbraw/zinc/10/09/18/946100918.db2.gz CNEWOVBBUDDMKS-MLPAPPSSSA-N -1 3 377.458 3.819 20 50 GHGDHM C[C@@H](NC(=O)NNc1ccccc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824505470 946749516 /nfs/dbraw/zinc/74/95/16/946749516.db2.gz DMTLIQPOVUYIHD-OAHLLOKOSA-N -1 3 399.458 3.921 20 50 GHGDHM C[C@@H](NC(=O)NNc1ccccc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824505470 946749521 /nfs/dbraw/zinc/74/95/21/946749521.db2.gz DMTLIQPOVUYIHD-OAHLLOKOSA-N -1 3 399.458 3.921 20 50 GHGDHM Cc1ccc(SC2CCCC2)c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826292808 947848449 /nfs/dbraw/zinc/84/84/49/947848449.db2.gz MZIZHKXNTFIIKG-UHFFFAOYSA-N -1 3 394.504 3.967 20 50 GHGDHM Cc1cc(F)ccc1NNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826268812 607392988 /nfs/dbraw/zinc/39/29/88/607392988.db2.gz ONKYXCGNFYYSSR-UHFFFAOYSA-N -1 3 388.406 3.738 20 50 GHGDHM Cc1cc(F)ccc1NNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826268812 607392990 /nfs/dbraw/zinc/39/29/90/607392990.db2.gz ONKYXCGNFYYSSR-UHFFFAOYSA-N -1 3 388.406 3.738 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1Br ZINC000826379436 608229854 /nfs/dbraw/zinc/22/98/54/608229854.db2.gz RMIBXWXIHZFDTB-YRNVUSSQSA-N -1 3 397.192 3.602 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1Br ZINC000826379436 608229855 /nfs/dbraw/zinc/22/98/55/608229855.db2.gz RMIBXWXIHZFDTB-YRNVUSSQSA-N -1 3 397.192 3.602 20 50 GHGDHM O=C(NN=Cc1c(Cl)ccc(Cl)c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000738129160 945198549 /nfs/dbraw/zinc/19/85/49/945198549.db2.gz PQKDJHCHMILPKO-UHFFFAOYSA-N -1 3 395.637 3.591 20 50 GHGDHM O=C(NN=Cc1c(Cl)ccc(Cl)c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000738129160 945198556 /nfs/dbraw/zinc/19/85/56/945198556.db2.gz PQKDJHCHMILPKO-UHFFFAOYSA-N -1 3 395.637 3.591 20 50 GHGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)Nc1ccccc1Cl ZINC000738137104 945242009 /nfs/dbraw/zinc/24/20/09/945242009.db2.gz NAKKRYZMKIRJNT-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Nc1ccccc1Cl ZINC000738137104 945242015 /nfs/dbraw/zinc/24/20/15/945242015.db2.gz NAKKRYZMKIRJNT-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM COCc1ccc(C=C(C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000821695172 945826875 /nfs/dbraw/zinc/82/68/75/945826875.db2.gz MLQGOZXLWYARDV-ZSOIEALJSA-N -1 3 390.428 3.794 20 50 GHGDHM COCc1ccc(C=C(C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000821695172 945826883 /nfs/dbraw/zinc/82/68/83/945826883.db2.gz MLQGOZXLWYARDV-ZSOIEALJSA-N -1 3 390.428 3.794 20 50 GHGDHM O=C(CCCC[C@H]1CCSS1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822955409 946234147 /nfs/dbraw/zinc/23/41/47/946234147.db2.gz UDULSIWJMSANAJ-LBPRGKRZSA-N -1 3 382.486 3.763 20 50 GHGDHM O=C(CCCC[C@H]1CCSS1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822955409 946234152 /nfs/dbraw/zinc/23/41/52/946234152.db2.gz UDULSIWJMSANAJ-LBPRGKRZSA-N -1 3 382.486 3.763 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(-c2c(F)cccc2F)c1 ZINC000826448809 607943286 /nfs/dbraw/zinc/94/32/86/607943286.db2.gz MYDONMWRKGZEEE-UHFFFAOYSA-N -1 3 392.369 3.569 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(-c2c(F)cccc2F)c1 ZINC000826448809 607943287 /nfs/dbraw/zinc/94/32/87/607943287.db2.gz MYDONMWRKGZEEE-UHFFFAOYSA-N -1 3 392.369 3.569 20 50 GHGDHM N#CC(=Cc1cnc(-c2ccccc2)s1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379497 608213586 /nfs/dbraw/zinc/21/35/86/608213586.db2.gz SZSXSXUHVQIUAD-YBEGLDIGSA-N -1 3 384.424 3.780 20 50 GHGDHM N#CC(=Cc1cnc(-c2ccccc2)s1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379497 608213587 /nfs/dbraw/zinc/21/35/87/608213587.db2.gz SZSXSXUHVQIUAD-YBEGLDIGSA-N -1 3 384.424 3.780 20 50 GHGDHM Cc1ccc(OC(F)F)c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826292516 608214844 /nfs/dbraw/zinc/21/48/44/608214844.db2.gz XXBBZKXNUBBCRP-OQLLNIDSSA-N -1 3 381.342 3.566 20 50 GHGDHM Cc1ccc(OC(F)F)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826292516 608214845 /nfs/dbraw/zinc/21/48/45/608214845.db2.gz XXBBZKXNUBBCRP-OQLLNIDSSA-N -1 3 381.342 3.566 20 50 GHGDHM N#CC(=Cc1cccc(OC2CCCC2)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378807 608215342 /nfs/dbraw/zinc/21/53/42/608215342.db2.gz ATIFQAWCPMGLSZ-WOJGMQOQSA-N -1 3 385.427 3.978 20 50 GHGDHM N#CC(=Cc1cccc(OC2CCCC2)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378807 608215344 /nfs/dbraw/zinc/21/53/44/608215344.db2.gz ATIFQAWCPMGLSZ-WOJGMQOQSA-N -1 3 385.427 3.978 20 50 GHGDHM N#CC(=Cc1cccc(-c2cccnc2)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378973 608216961 /nfs/dbraw/zinc/21/69/61/608216961.db2.gz GDJMCEMOKYLBMY-RGVLZGJSSA-N -1 3 378.395 3.719 20 50 GHGDHM N#CC(=Cc1cccc(-c2cccnc2)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378973 608216962 /nfs/dbraw/zinc/21/69/62/608216962.db2.gz GDJMCEMOKYLBMY-RGVLZGJSSA-N -1 3 378.395 3.719 20 50 GHGDHM C[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824498023 609154490 /nfs/dbraw/zinc/15/44/90/609154490.db2.gz CBNLRDMOFVMSJL-ZDUSSCGKSA-N -1 3 379.468 3.552 20 50 GHGDHM C[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824498023 609154492 /nfs/dbraw/zinc/15/44/92/609154492.db2.gz CBNLRDMOFVMSJL-ZDUSSCGKSA-N -1 3 379.468 3.552 20 50 GHGDHM O=C(CCCC[C@@H]1CCSS1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737823980 945132803 /nfs/dbraw/zinc/13/28/03/945132803.db2.gz CZXVDBGEDOMGIW-CYBMUJFWSA-N -1 3 382.486 3.763 20 50 GHGDHM O=C(CCCC[C@@H]1CCSS1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737823980 945132806 /nfs/dbraw/zinc/13/28/06/945132806.db2.gz CZXVDBGEDOMGIW-CYBMUJFWSA-N -1 3 382.486 3.763 20 50 GHGDHM COc1ccc(C=C(C#N)c2nc3ccccc3n2C(F)F)cc1-c1nnn[n-]1 ZINC000737077498 944948866 /nfs/dbraw/zinc/94/88/66/944948866.db2.gz VBIULNQSKJCCIC-WQLSENKSSA-N -1 3 393.357 3.684 20 50 GHGDHM COc1ccc(C=C(C#N)c2nc3ccccc3n2C(F)F)cc1-c1nn[n-]n1 ZINC000737077498 944948875 /nfs/dbraw/zinc/94/88/75/944948875.db2.gz VBIULNQSKJCCIC-WQLSENKSSA-N -1 3 393.357 3.684 20 50 GHGDHM CC(C)c1ccsc1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820198163 945371521 /nfs/dbraw/zinc/37/15/21/945371521.db2.gz RGBNJRHRHLEMGD-UHFFFAOYSA-N -1 3 396.398 3.827 20 50 GHGDHM CC(C)c1ccsc1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820198163 945371533 /nfs/dbraw/zinc/37/15/33/945371533.db2.gz RGBNJRHRHLEMGD-UHFFFAOYSA-N -1 3 396.398 3.827 20 50 GHGDHM Cc1ccccc1NNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822362576 946070586 /nfs/dbraw/zinc/07/05/86/946070586.db2.gz ZJUVJDIRQQJTCU-UHFFFAOYSA-N -1 3 385.431 3.676 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000822795635 946174368 /nfs/dbraw/zinc/17/43/68/946174368.db2.gz DTCBASZKDTXGCK-BAQGIRSFSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000822795635 946174377 /nfs/dbraw/zinc/17/43/77/946174377.db2.gz DTCBASZKDTXGCK-BAQGIRSFSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822796022 946180059 /nfs/dbraw/zinc/18/00/59/946180059.db2.gz KJMVNWUAQYDDBU-YHYXMXQVSA-N -1 3 375.335 3.737 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822796022 946180067 /nfs/dbraw/zinc/18/00/67/946180067.db2.gz KJMVNWUAQYDDBU-YHYXMXQVSA-N -1 3 375.335 3.737 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000822796456 946185617 /nfs/dbraw/zinc/18/56/17/946185617.db2.gz RRJUJZGXSZEUOI-VMPITWQZSA-N -1 3 391.243 3.781 20 50 GHGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNc1c(Cl)cc(Cl)cc1Cl ZINC000823103876 946310852 /nfs/dbraw/zinc/31/08/52/946310852.db2.gz NHBLMTNXWCNKPV-UHFFFAOYSA-N -1 3 397.653 3.513 20 50 GHGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNc1c(Cl)cc(Cl)cc1Cl ZINC000823103876 946310866 /nfs/dbraw/zinc/31/08/66/946310866.db2.gz NHBLMTNXWCNKPV-UHFFFAOYSA-N -1 3 397.653 3.513 20 50 GHGDHM CC1(C)CCc2cc(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)ccc2O1 ZINC000824808482 608214371 /nfs/dbraw/zinc/21/43/71/608214371.db2.gz SVJBACUBJVJIIM-WOJGMQOQSA-N -1 3 385.427 3.760 20 50 GHGDHM CC1(C)CCc2cc(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)ccc2O1 ZINC000824808482 608214373 /nfs/dbraw/zinc/21/43/73/608214373.db2.gz SVJBACUBJVJIIM-WOJGMQOQSA-N -1 3 385.427 3.760 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccc2)ccc1Cl ZINC000826446594 607343634 /nfs/dbraw/zinc/34/36/34/607343634.db2.gz RDIRNFSZJBWGRW-UHFFFAOYSA-N -1 3 390.834 3.944 20 50 GHGDHM O=C(CCCc1csc2ccccc12)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406932 607347005 /nfs/dbraw/zinc/34/70/05/607347005.db2.gz TVFLCPLQSGNQET-UHFFFAOYSA-N -1 3 378.461 3.547 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1occc1CSc1ccccc1 ZINC000826449070 607723845 /nfs/dbraw/zinc/72/38/45/607723845.db2.gz ABBWTSUPIBPUHU-UHFFFAOYSA-N -1 3 392.444 3.509 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1occc1CSc1ccccc1 ZINC000826449070 607723848 /nfs/dbraw/zinc/72/38/48/607723848.db2.gz ABBWTSUPIBPUHU-UHFFFAOYSA-N -1 3 392.444 3.509 20 50 GHGDHM CC[C@@H](C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736320946 944802462 /nfs/dbraw/zinc/80/24/62/944802462.db2.gz ZPZGSCDOVFFQJL-JQFNYASXSA-N -1 3 387.443 3.968 20 50 GHGDHM CC[C@@H](C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736320946 944802469 /nfs/dbraw/zinc/80/24/69/944802469.db2.gz ZPZGSCDOVFFQJL-JQFNYASXSA-N -1 3 387.443 3.968 20 50 GHGDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820882699 945583266 /nfs/dbraw/zinc/58/32/66/945583266.db2.gz XREFDGUURUNRIN-UGMNDJHYSA-N -1 3 378.461 3.987 20 50 GHGDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820882699 945583281 /nfs/dbraw/zinc/58/32/81/945583281.db2.gz XREFDGUURUNRIN-UGMNDJHYSA-N -1 3 378.461 3.987 20 50 GHGDHM CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC([C@H](O)C(=O)[O-])CC2)cc1 ZINC001590451128 990011366 /nfs/dbraw/zinc/01/13/66/990011366.db2.gz AWGHMUIVUSHMDT-IBGZPJMESA-N -1 3 393.600 3.866 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1SCc1ccco1 ZINC000826447135 607353264 /nfs/dbraw/zinc/35/32/64/607353264.db2.gz OYIKAFNFWHESFB-UHFFFAOYSA-N -1 3 392.444 3.509 20 50 GHGDHM Cc1cc(Br)ccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826256393 608215037 /nfs/dbraw/zinc/21/50/37/608215037.db2.gz HFEMTSSHYAGZGN-OVCLIPMQSA-N -1 3 394.232 3.728 20 50 GHGDHM Cc1cc(Br)ccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826256393 608215038 /nfs/dbraw/zinc/21/50/38/608215038.db2.gz HFEMTSSHYAGZGN-OVCLIPMQSA-N -1 3 394.232 3.728 20 50 GHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc(C)c1OC(F)F ZINC000826266278 608216790 /nfs/dbraw/zinc/21/67/90/608216790.db2.gz JKQIETOFAZQTSL-PXNMLYILSA-N -1 3 395.369 3.875 20 50 GHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc(C)c1OC(F)F ZINC000826266278 608216791 /nfs/dbraw/zinc/21/67/91/608216791.db2.gz JKQIETOFAZQTSL-PXNMLYILSA-N -1 3 395.369 3.875 20 50 GHGDHM N#CC(=Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379006 608217208 /nfs/dbraw/zinc/21/72/08/608217208.db2.gz GYBDUNLFJCIJHV-UYRXBGFRSA-N -1 3 384.443 3.647 20 50 GHGDHM N#CC(=Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379006 608217210 /nfs/dbraw/zinc/21/72/10/608217210.db2.gz GYBDUNLFJCIJHV-UYRXBGFRSA-N -1 3 384.443 3.647 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379710 608288733 /nfs/dbraw/zinc/28/87/33/608288733.db2.gz ZGNHKBQFWGERHH-QPEQYQDCSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379710 608288736 /nfs/dbraw/zinc/28/87/36/608288736.db2.gz ZGNHKBQFWGERHH-QPEQYQDCSA-N -1 3 387.296 3.814 20 50 GHGDHM C[C@@H](CC1CCCC1)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820233883 945392210 /nfs/dbraw/zinc/39/22/10/945392210.db2.gz MFUCGMJHEKTPLL-JTQLQIEISA-N -1 3 382.390 3.545 20 50 GHGDHM C[C@@H](CC1CCCC1)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820233883 945392219 /nfs/dbraw/zinc/39/22/19/945392219.db2.gz MFUCGMJHEKTPLL-JTQLQIEISA-N -1 3 382.390 3.545 20 50 GHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821492694 945709328 /nfs/dbraw/zinc/70/93/28/945709328.db2.gz SZIKNBPSTMILJG-RIYZIHGNSA-N -1 3 378.461 3.599 20 50 GHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821492694 945709335 /nfs/dbraw/zinc/70/93/35/945709335.db2.gz SZIKNBPSTMILJG-RIYZIHGNSA-N -1 3 378.461 3.599 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(Br)s1 ZINC000822795825 946177842 /nfs/dbraw/zinc/17/78/42/946177842.db2.gz HRQLEIYKUFSRQL-FNORWQNLSA-N -1 3 392.263 3.542 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1c(Cl)cccc1Cl ZINC000822795844 946177935 /nfs/dbraw/zinc/17/79/35/946177935.db2.gz IGSQZRLKUCFTGI-SOFGYWHQSA-N -1 3 391.243 3.781 20 50 GHGDHM CN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC001598499598 992415151 /nfs/dbraw/zinc/41/51/51/992415151.db2.gz WKQKNOBKSAYNQM-UHFFFAOYSA-N -1 3 393.423 3.831 20 50 GHGDHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826403933 607350583 /nfs/dbraw/zinc/35/05/83/607350583.db2.gz IZUWXSGLAHEGQU-HXUWFJFHSA-N -1 3 398.470 3.726 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc2ccccc2n1C(F)F ZINC000826379350 608877494 /nfs/dbraw/zinc/87/74/94/608877494.db2.gz PPCVJBWHBVPVCC-YRNVUSSQSA-N -1 3 381.321 3.815 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc2ccccc2n1C(F)F ZINC000826379350 608877495 /nfs/dbraw/zinc/87/74/95/608877495.db2.gz PPCVJBWHBVPVCC-YRNVUSSQSA-N -1 3 381.321 3.815 20 50 GHGDHM Cc1cc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)n1C1CCCCC1 ZINC000737261961 945025413 /nfs/dbraw/zinc/02/54/13/945025413.db2.gz IQEYNIRWAGTFDF-UHFFFAOYSA-N -1 3 391.479 3.554 20 50 GHGDHM Cc1cc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)n1C1CCCCC1 ZINC000737261961 945025418 /nfs/dbraw/zinc/02/54/18/945025418.db2.gz IQEYNIRWAGTFDF-UHFFFAOYSA-N -1 3 391.479 3.554 20 50 GHGDHM CCCc1ccc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000821138926 945640491 /nfs/dbraw/zinc/64/04/91/945640491.db2.gz KTZROAIFZZVTQT-UHFFFAOYSA-N -1 3 390.369 3.595 20 50 GHGDHM CCCc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000821138926 945640496 /nfs/dbraw/zinc/64/04/96/945640496.db2.gz KTZROAIFZZVTQT-UHFFFAOYSA-N -1 3 390.369 3.595 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc(-c2ccncc2)cs1 ZINC000822796494 946184589 /nfs/dbraw/zinc/18/45/89/946184589.db2.gz SVFYECHXQPILDZ-AUWJEWJLSA-N -1 3 375.392 3.588 20 50 GHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2ccncc2)cs1 ZINC000822796494 946184596 /nfs/dbraw/zinc/18/45/96/946184596.db2.gz SVFYECHXQPILDZ-AUWJEWJLSA-N -1 3 375.392 3.588 20 50 GHGDHM CC(C)(C(=O)NNc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC001573783122 949141626 /nfs/dbraw/zinc/14/16/26/949141626.db2.gz RKYDRJGSAKKTBT-UHFFFAOYSA-N -1 3 391.262 3.594 20 50 GHGDHM CC(C)(C(=O)NNc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001573783122 949141640 /nfs/dbraw/zinc/14/16/40/949141640.db2.gz RKYDRJGSAKKTBT-UHFFFAOYSA-N -1 3 391.262 3.594 20 50 GHGDHM CCN(CC)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825418089 608216198 /nfs/dbraw/zinc/21/61/98/608216198.db2.gz WXKTWHIQEOAAQA-YVLHZVERSA-N -1 3 390.422 3.642 20 50 GHGDHM CCN(CC)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825418089 608216199 /nfs/dbraw/zinc/21/61/99/608216199.db2.gz WXKTWHIQEOAAQA-YVLHZVERSA-N -1 3 390.422 3.642 20 50 GHGDHM N#CC(=Cc1cnn2ccccc12)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737672004 945108525 /nfs/dbraw/zinc/10/85/25/945108525.db2.gz KNLWEJSTXYMSJG-DHDCSXOGSA-N -1 3 396.439 3.702 20 50 GHGDHM N#CC(=Cc1cnn2ccccc12)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737672004 945108530 /nfs/dbraw/zinc/10/85/30/945108530.db2.gz KNLWEJSTXYMSJG-DHDCSXOGSA-N -1 3 396.439 3.702 20 50 GHGDHM CC(C)CC(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735759330 944699603 /nfs/dbraw/zinc/69/96/03/944699603.db2.gz SCLFNCUYXMWSJC-WOJGMQOQSA-N -1 3 387.443 3.968 20 50 GHGDHM CC(C)CC(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735759330 944699608 /nfs/dbraw/zinc/69/96/08/944699608.db2.gz SCLFNCUYXMWSJC-WOJGMQOQSA-N -1 3 387.443 3.968 20 50 GHGDHM CCCn1cc(C=C(C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)cn1 ZINC000736503563 944836180 /nfs/dbraw/zinc/83/61/80/944836180.db2.gz LOZSAIZJCHDNPS-PXNMLYILSA-N -1 3 388.460 3.661 20 50 GHGDHM CCCn1cc(C=C(C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cn1 ZINC000736503563 944836184 /nfs/dbraw/zinc/83/61/84/944836184.db2.gz LOZSAIZJCHDNPS-PXNMLYILSA-N -1 3 388.460 3.661 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000737077205 944947870 /nfs/dbraw/zinc/94/78/70/944947870.db2.gz SYTAYZUBQHJXBK-LFIBNONCSA-N -1 3 396.410 3.574 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000737077205 944947874 /nfs/dbraw/zinc/94/78/74/944947874.db2.gz SYTAYZUBQHJXBK-LFIBNONCSA-N -1 3 396.410 3.574 20 50 GHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821492278 945707367 /nfs/dbraw/zinc/70/73/67/945707367.db2.gz KBUOUOVGMJALJK-GXDHUFHOSA-N -1 3 378.461 3.599 20 50 GHGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)sc1-c1ccc(F)cc1 ZINC000826260125 607348066 /nfs/dbraw/zinc/34/80/66/607348066.db2.gz XPVRQYPNLPTAFG-UHFFFAOYSA-N -1 3 394.435 3.800 20 50 GHGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(C(F)F)c1 ZINC000823280540 606127409 /nfs/dbraw/zinc/12/74/09/606127409.db2.gz AHTUZYJAEXRMAJ-UHFFFAOYSA-N -1 3 398.295 3.580 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(C(F)F)c1 ZINC000823280540 606127410 /nfs/dbraw/zinc/12/74/10/606127410.db2.gz AHTUZYJAEXRMAJ-UHFFFAOYSA-N -1 3 398.295 3.580 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000826379441 607883522 /nfs/dbraw/zinc/88/35/22/607883522.db2.gz RRMLPCLURWFATB-FMIVXFBMSA-N -1 3 398.398 3.727 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000826379441 607883523 /nfs/dbraw/zinc/88/35/23/607883523.db2.gz RRMLPCLURWFATB-FMIVXFBMSA-N -1 3 398.398 3.727 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000826378997 608229780 /nfs/dbraw/zinc/22/97/80/608229780.db2.gz GTOSFUGDKHAFGK-KPKJPENVSA-N -1 3 397.192 3.602 20 50 GHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000826378997 608229781 /nfs/dbraw/zinc/22/97/81/608229781.db2.gz GTOSFUGDKHAFGK-KPKJPENVSA-N -1 3 397.192 3.602 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379709 608288427 /nfs/dbraw/zinc/28/84/27/608288427.db2.gz ZGNHKBQFWGERHH-NTUHNPAUSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379709 608288429 /nfs/dbraw/zinc/28/84/29/608288429.db2.gz ZGNHKBQFWGERHH-NTUHNPAUSA-N -1 3 387.296 3.814 20 50 GHGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cccc2ccccc21 ZINC000826446647 609498082 /nfs/dbraw/zinc/49/80/82/609498082.db2.gz SUJNPSCONJZNJQ-UHFFFAOYSA-N -1 3 379.811 3.822 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1cccc2ccccc21 ZINC000826446647 609498084 /nfs/dbraw/zinc/49/80/84/609498084.db2.gz SUJNPSCONJZNJQ-UHFFFAOYSA-N -1 3 379.811 3.822 20 50 GHGDHM N#CC(=Cc1cnn2ccccc12)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737672005 945108040 /nfs/dbraw/zinc/10/80/40/945108040.db2.gz KNLWEJSTXYMSJG-OQLLNIDSSA-N -1 3 396.439 3.702 20 50 GHGDHM N#CC(=Cc1cnn2ccccc12)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737672005 945108052 /nfs/dbraw/zinc/10/80/52/945108052.db2.gz KNLWEJSTXYMSJG-OQLLNIDSSA-N -1 3 396.439 3.702 20 50 GHGDHM N#CC(=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(=O)C1CCC1 ZINC000737671701 945108920 /nfs/dbraw/zinc/10/89/20/945108920.db2.gz IJBLJGUEBQBMQC-WQRHYEAKSA-N -1 3 385.427 3.722 20 50 GHGDHM N#CC(=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C(=O)C1CCC1 ZINC000737671701 945108923 /nfs/dbraw/zinc/10/89/23/945108923.db2.gz IJBLJGUEBQBMQC-WQRHYEAKSA-N -1 3 385.427 3.722 20 50 GHGDHM N#CC(=Cc1cnc2ccccn12)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737672517 945110417 /nfs/dbraw/zinc/11/04/17/945110417.db2.gz OMJJUHGDCLEAOD-DHDCSXOGSA-N -1 3 396.439 3.702 20 50 GHGDHM N#CC(=Cc1cnc2ccccn12)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737672517 945110423 /nfs/dbraw/zinc/11/04/23/945110423.db2.gz OMJJUHGDCLEAOD-DHDCSXOGSA-N -1 3 396.439 3.702 20 50 GHGDHM CC[C@H](C)C(=O)C(C#N)=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736320788 944800223 /nfs/dbraw/zinc/80/02/23/944800223.db2.gz XONQGAFLSROHOL-HNIBHBHRSA-N -1 3 387.443 3.968 20 50 GHGDHM CC[C@H](C)C(=O)C(C#N)=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736320788 944800228 /nfs/dbraw/zinc/80/02/28/944800228.db2.gz XONQGAFLSROHOL-HNIBHBHRSA-N -1 3 387.443 3.968 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ncc(C2CCCCC2)s1 ZINC000826448368 948313952 /nfs/dbraw/zinc/31/39/52/948313952.db2.gz SHGVSPYDPSMJFA-UHFFFAOYSA-N -1 3 384.469 3.520 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ncc(C2CCCCC2)s1 ZINC000826448368 948313958 /nfs/dbraw/zinc/31/39/58/948313958.db2.gz SHGVSPYDPSMJFA-UHFFFAOYSA-N -1 3 384.469 3.520 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2Cl)o1 ZINC000826448574 607715684 /nfs/dbraw/zinc/71/56/84/607715684.db2.gz AVVMVLBYYIZNQS-UHFFFAOYSA-N -1 3 380.795 3.537 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2Cl)o1 ZINC000826448574 607715686 /nfs/dbraw/zinc/71/56/86/607715686.db2.gz AVVMVLBYYIZNQS-UHFFFAOYSA-N -1 3 380.795 3.537 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000826379536 608880348 /nfs/dbraw/zinc/88/03/48/608880348.db2.gz UTOYNKAMVKTSCJ-KPKJPENVSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000826379536 608880352 /nfs/dbraw/zinc/88/03/52/608880352.db2.gz UTOYNKAMVKTSCJ-KPKJPENVSA-N -1 3 387.296 3.814 20 50 GHGDHM CCCCc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821077343 945630205 /nfs/dbraw/zinc/63/02/05/945630205.db2.gz BJOKPHJHLGKKNA-KAMYIIQDSA-N -1 3 378.461 3.816 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000822796441 946184803 /nfs/dbraw/zinc/18/48/03/946184803.db2.gz RBDOOKTYUNJMEN-UNXLUWIOSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000822796441 946184808 /nfs/dbraw/zinc/18/48/08/946184808.db2.gz RBDOOKTYUNJMEN-UNXLUWIOSA-N -1 3 391.243 3.781 20 50 GHGDHM Cc1ccccc1C1(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000826305569 607715991 /nfs/dbraw/zinc/71/59/91/607715991.db2.gz BLVQZLWVCKBTGX-UHFFFAOYSA-N -1 3 376.464 3.520 20 50 GHGDHM Cc1ccccc1C1(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000826305569 607715993 /nfs/dbraw/zinc/71/59/93/607715993.db2.gz BLVQZLWVCKBTGX-UHFFFAOYSA-N -1 3 376.464 3.520 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1c(Cl)cccc1Cl ZINC000826378873 607883759 /nfs/dbraw/zinc/88/37/59/607883759.db2.gz CLKHWYXDDGRCGD-DHZHZOJOSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1c(Cl)cccc1Cl ZINC000826378873 607883760 /nfs/dbraw/zinc/88/37/60/607883760.db2.gz CLKHWYXDDGRCGD-DHZHZOJOSA-N -1 3 385.214 3.719 20 50 GHGDHM O=C(NNc1ccc(F)cc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826447489 609370284 /nfs/dbraw/zinc/37/02/84/609370284.db2.gz HTBRPVHUXMCGAV-UHFFFAOYSA-N -1 3 390.378 3.555 20 50 GHGDHM O=C(NNc1ccc(F)cc1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826447489 609370287 /nfs/dbraw/zinc/37/02/87/609370287.db2.gz HTBRPVHUXMCGAV-UHFFFAOYSA-N -1 3 390.378 3.555 20 50 GHGDHM CCCn1cc(C=C(C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)cn1 ZINC000736503561 944836157 /nfs/dbraw/zinc/83/61/57/944836157.db2.gz LOZSAIZJCHDNPS-LZYBPNLTSA-N -1 3 388.460 3.661 20 50 GHGDHM CCCn1cc(C=C(C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cn1 ZINC000736503561 944836162 /nfs/dbraw/zinc/83/61/62/944836162.db2.gz LOZSAIZJCHDNPS-LZYBPNLTSA-N -1 3 388.460 3.661 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000822796466 946185778 /nfs/dbraw/zinc/18/57/78/946185778.db2.gz RWWGSAKUCHQQLO-FPYGCLRLSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000822796466 946185784 /nfs/dbraw/zinc/18/57/84/946185784.db2.gz RWWGSAKUCHQQLO-FPYGCLRLSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1ccc(Br)cc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378979 608215379 /nfs/dbraw/zinc/21/53/79/608215379.db2.gz GFRUPSMTDYCIGQ-MLPAPPSSSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1ccc(Br)cc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378979 608215381 /nfs/dbraw/zinc/21/53/81/608215381.db2.gz GFRUPSMTDYCIGQ-MLPAPPSSSA-N -1 3 398.195 3.558 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccc12 ZINC000826190576 608218365 /nfs/dbraw/zinc/21/83/65/608218365.db2.gz GAQWZHWHBQGKRB-BOPFTXTBSA-N -1 3 381.395 3.818 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccc12 ZINC000826190576 608218366 /nfs/dbraw/zinc/21/83/66/608218366.db2.gz GAQWZHWHBQGKRB-BOPFTXTBSA-N -1 3 381.395 3.818 20 50 GHGDHM O=C(NNc1ccc(F)cc1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738137961 945250165 /nfs/dbraw/zinc/25/01/65/945250165.db2.gz VQRWXZCRKNNSIK-UHFFFAOYSA-N -1 3 390.378 3.555 20 50 GHGDHM C[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820373169 945434508 /nfs/dbraw/zinc/43/45/08/945434508.db2.gz FTINMRDJWLEXPZ-VIFPVBQESA-N -1 3 392.250 3.561 20 50 GHGDHM C[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820373169 945434522 /nfs/dbraw/zinc/43/45/22/945434522.db2.gz FTINMRDJWLEXPZ-VIFPVBQESA-N -1 3 392.250 3.561 20 50 GHGDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NNc2ccccc2)cc1 ZINC000822145737 945966297 /nfs/dbraw/zinc/96/62/97/945966297.db2.gz SVRUAYSSZOKMAK-UHFFFAOYSA-N -1 3 386.415 3.724 20 50 GHGDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NNc2ccccc2)cc1 ZINC000822145737 945966307 /nfs/dbraw/zinc/96/63/07/945966307.db2.gz SVRUAYSSZOKMAK-UHFFFAOYSA-N -1 3 386.415 3.724 20 50 GHGDHM O=C(CCCC[C@@H]1CCSS1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822955223 946233316 /nfs/dbraw/zinc/23/33/16/946233316.db2.gz MVGMSCOLSAAYHC-CYBMUJFWSA-N -1 3 382.486 3.763 20 50 GHGDHM O=C(CCCC[C@@H]1CCSS1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822955223 946233326 /nfs/dbraw/zinc/23/33/26/946233326.db2.gz MVGMSCOLSAAYHC-CYBMUJFWSA-N -1 3 382.486 3.763 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000826449023 607714762 /nfs/dbraw/zinc/71/47/62/607714762.db2.gz YBXFUHRWNZDIRV-UHFFFAOYSA-N -1 3 392.369 3.569 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000826449023 607714764 /nfs/dbraw/zinc/71/47/64/607714764.db2.gz YBXFUHRWNZDIRV-UHFFFAOYSA-N -1 3 392.369 3.569 20 50 GHGDHM CC[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000825039765 607727924 /nfs/dbraw/zinc/72/79/24/607727924.db2.gz VUTOZOHFKRLJEE-OAHLLOKOSA-N -1 3 390.369 3.522 20 50 GHGDHM CC[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000825039765 607727926 /nfs/dbraw/zinc/72/79/26/607727926.db2.gz VUTOZOHFKRLJEE-OAHLLOKOSA-N -1 3 390.369 3.522 20 50 GHGDHM Cc1cc(Br)ccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826256392 608214970 /nfs/dbraw/zinc/21/49/70/608214970.db2.gz HFEMTSSHYAGZGN-NVNXTCNLSA-N -1 3 394.232 3.728 20 50 GHGDHM Cc1cc(Br)ccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826256392 608214971 /nfs/dbraw/zinc/21/49/71/608214971.db2.gz HFEMTSSHYAGZGN-NVNXTCNLSA-N -1 3 394.232 3.728 20 50 GHGDHM N#CC(=Cc1ccc(Br)c(F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379320 608215933 /nfs/dbraw/zinc/21/59/33/608215933.db2.gz ORXJJBVIPXFSHO-AWNIVKPZSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1ccc(Br)c(F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379320 608215935 /nfs/dbraw/zinc/21/59/35/608215935.db2.gz ORXJJBVIPXFSHO-AWNIVKPZSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379005 608216938 /nfs/dbraw/zinc/21/69/38/608216938.db2.gz GYBDUNLFJCIJHV-CPNJWEJPSA-N -1 3 384.443 3.647 20 50 GHGDHM N#CC(=Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379005 608216940 /nfs/dbraw/zinc/21/69/40/608216940.db2.gz GYBDUNLFJCIJHV-CPNJWEJPSA-N -1 3 384.443 3.647 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cc(C(F)F)ccc1Cl ZINC000826447899 608817719 /nfs/dbraw/zinc/81/77/19/608817719.db2.gz AKPHIXGSJNYCDV-UHFFFAOYSA-N -1 3 379.758 3.606 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cc(C(F)F)ccc1Cl ZINC000826447899 608817720 /nfs/dbraw/zinc/81/77/20/608817720.db2.gz AKPHIXGSJNYCDV-UHFFFAOYSA-N -1 3 379.758 3.606 20 50 GHGDHM O=C(NNc1ccccc1F)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826449214 609391817 /nfs/dbraw/zinc/39/18/17/609391817.db2.gz HIPFRLVJWPBLGE-UHFFFAOYSA-N -1 3 390.378 3.555 20 50 GHGDHM O=C(NNc1ccccc1F)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826449214 609391819 /nfs/dbraw/zinc/39/18/19/609391819.db2.gz HIPFRLVJWPBLGE-UHFFFAOYSA-N -1 3 390.378 3.555 20 50 GHGDHM CC(C)CC(=O)C(C#N)=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735758306 944698811 /nfs/dbraw/zinc/69/88/11/944698811.db2.gz GWCWNZKXIUDQNB-GRSHGNNSSA-N -1 3 387.443 3.968 20 50 GHGDHM CC(C)CC(=O)C(C#N)=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735758306 944698816 /nfs/dbraw/zinc/69/88/16/944698816.db2.gz GWCWNZKXIUDQNB-GRSHGNNSSA-N -1 3 387.443 3.968 20 50 GHGDHM C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321171 945413388 /nfs/dbraw/zinc/41/33/88/945413388.db2.gz BWTOMDQZBAEFTA-SWLSCSKDSA-N -1 3 377.539 3.758 20 50 GHGDHM C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321171 945413393 /nfs/dbraw/zinc/41/33/93/945413393.db2.gz BWTOMDQZBAEFTA-SWLSCSKDSA-N -1 3 377.539 3.758 20 50 GHGDHM COCc1ccc(C=C(C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000821695171 945827521 /nfs/dbraw/zinc/82/75/21/945827521.db2.gz MLQGOZXLWYARDV-RIYZIHGNSA-N -1 3 390.428 3.794 20 50 GHGDHM COCc1ccc(C=C(C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000821695171 945827543 /nfs/dbraw/zinc/82/75/43/945827543.db2.gz MLQGOZXLWYARDV-RIYZIHGNSA-N -1 3 390.428 3.794 20 50 GHGDHM Cc1ccc(C)c(NNC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826285412 607381600 /nfs/dbraw/zinc/38/16/00/607381600.db2.gz ZEMNPHFVXRSALB-UHFFFAOYSA-N -1 3 399.458 3.984 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1c[nH]c2cc(Cl)ccc21 ZINC000826379269 607916114 /nfs/dbraw/zinc/91/61/14/607916114.db2.gz NOAZXQBOYJVOPM-VZUCSPMQSA-N -1 3 392.781 3.930 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1c[nH]c2cc(Cl)ccc21 ZINC000826379269 607916115 /nfs/dbraw/zinc/91/61/15/607916115.db2.gz NOAZXQBOYJVOPM-VZUCSPMQSA-N -1 3 392.781 3.930 20 50 GHGDHM N#CC(=Cc1cccc(-c2ccccn2)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378843 608215484 /nfs/dbraw/zinc/21/54/84/608215484.db2.gz BOENITXOZZAJRH-UNOMPAQXSA-N -1 3 378.395 3.719 20 50 GHGDHM N#CC(=Cc1cccc(-c2ccccn2)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378843 608215485 /nfs/dbraw/zinc/21/54/85/608215485.db2.gz BOENITXOZZAJRH-UNOMPAQXSA-N -1 3 378.395 3.719 20 50 GHGDHM N#CC(=Cc1csc(-c2ccccc2)n1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379259 608216988 /nfs/dbraw/zinc/21/69/88/608216988.db2.gz NHRDSFSUAADMRN-MHWRWJLKSA-N -1 3 384.424 3.780 20 50 GHGDHM N#CC(=Cc1csc(-c2ccccc2)n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379259 608216990 /nfs/dbraw/zinc/21/69/90/608216990.db2.gz NHRDSFSUAADMRN-MHWRWJLKSA-N -1 3 384.424 3.780 20 50 GHGDHM CC[C@H](C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736320947 944802233 /nfs/dbraw/zinc/80/22/33/944802233.db2.gz ZPZGSCDOVFFQJL-LZNAANCOSA-N -1 3 387.443 3.968 20 50 GHGDHM CC[C@H](C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736320947 944802241 /nfs/dbraw/zinc/80/22/41/944802241.db2.gz ZPZGSCDOVFFQJL-LZNAANCOSA-N -1 3 387.443 3.968 20 50 GHGDHM CCCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000821143727 945642775 /nfs/dbraw/zinc/64/27/75/945642775.db2.gz WJLDMEROIAHFPO-SXGWCWSVSA-N -1 3 378.411 3.624 20 50 GHGDHM CCCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000821143727 945642778 /nfs/dbraw/zinc/64/27/78/945642778.db2.gz WJLDMEROIAHFPO-SXGWCWSVSA-N -1 3 378.411 3.624 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1c[nH]c2cc(Cl)ccc21 ZINC000822796025 946180419 /nfs/dbraw/zinc/18/04/19/946180419.db2.gz KMVPHRUNBDLPQS-XGICHPGQSA-N -1 3 392.781 3.930 20 50 GHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1c[nH]c2cc(Cl)ccc21 ZINC000822796025 946180428 /nfs/dbraw/zinc/18/04/28/946180428.db2.gz KMVPHRUNBDLPQS-XGICHPGQSA-N -1 3 392.781 3.930 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1c(Cl)cccc1Cl ZINC000822796691 946187654 /nfs/dbraw/zinc/18/76/54/946187654.db2.gz VWWDDJPGSKHUGT-YWEYNIOJSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1c(Cl)cccc1Cl ZINC000822796691 946187660 /nfs/dbraw/zinc/18/76/60/946187660.db2.gz VWWDDJPGSKHUGT-YWEYNIOJSA-N -1 3 391.243 3.781 20 50 GHGDHM Cc1sc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1-c1ccc(F)cc1 ZINC000826349327 607334191 /nfs/dbraw/zinc/33/41/91/607334191.db2.gz DPPUJFAIYJQSGR-UHFFFAOYSA-N -1 3 394.435 3.800 20 50 GHGDHM Cc1sc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1-c1ccc(F)cc1 ZINC000826349327 607334193 /nfs/dbraw/zinc/33/41/93/607334193.db2.gz DPPUJFAIYJQSGR-UHFFFAOYSA-N -1 3 394.435 3.800 20 50 GHGDHM Cc1cc(C)cc(NNC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826264338 607381689 /nfs/dbraw/zinc/38/16/89/607381689.db2.gz KQYAGGAZBSXBFY-UHFFFAOYSA-N -1 3 399.458 3.984 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000826448679 607728878 /nfs/dbraw/zinc/72/88/78/607728878.db2.gz GRAXHFRSGSLQLG-UHFFFAOYSA-N -1 3 390.378 3.555 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000826448679 607728880 /nfs/dbraw/zinc/72/88/80/607728880.db2.gz GRAXHFRSGSLQLG-UHFFFAOYSA-N -1 3 390.378 3.555 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000826379411 607884703 /nfs/dbraw/zinc/88/47/03/607884703.db2.gz QWCKPZYBNGREEG-SXGWCWSVSA-N -1 3 381.424 3.926 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000826379411 607884704 /nfs/dbraw/zinc/88/47/04/607884704.db2.gz QWCKPZYBNGREEG-SXGWCWSVSA-N -1 3 381.424 3.926 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccc12 ZINC000826190577 608217975 /nfs/dbraw/zinc/21/79/75/608217975.db2.gz GAQWZHWHBQGKRB-GZTJUZNOSA-N -1 3 381.395 3.818 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccc12 ZINC000826190577 608217977 /nfs/dbraw/zinc/21/79/77/608217977.db2.gz GAQWZHWHBQGKRB-GZTJUZNOSA-N -1 3 381.395 3.818 20 50 GHGDHM C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000736119657 944743385 /nfs/dbraw/zinc/74/33/85/944743385.db2.gz TUULMHJJGHDTGQ-SECBINFHSA-N -1 3 392.250 3.561 20 50 GHGDHM C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000736119657 944743392 /nfs/dbraw/zinc/74/33/92/944743392.db2.gz TUULMHJJGHDTGQ-SECBINFHSA-N -1 3 392.250 3.561 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc1-c1nnn[n-]1 ZINC000737075057 944945628 /nfs/dbraw/zinc/94/56/28/944945628.db2.gz ITJBDXFCBOCSQH-LFIBNONCSA-N -1 3 387.443 3.963 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC000737075057 944945633 /nfs/dbraw/zinc/94/56/33/944945633.db2.gz ITJBDXFCBOCSQH-LFIBNONCSA-N -1 3 387.443 3.963 20 50 GHGDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820882698 945584728 /nfs/dbraw/zinc/58/47/28/945584728.db2.gz XREFDGUURUNRIN-QENILXLESA-N -1 3 378.461 3.987 20 50 GHGDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820882698 945584730 /nfs/dbraw/zinc/58/47/30/945584730.db2.gz XREFDGUURUNRIN-QENILXLESA-N -1 3 378.461 3.987 20 50 GHGDHM CCCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000821143717 945642226 /nfs/dbraw/zinc/64/22/26/945642226.db2.gz WJLDMEROIAHFPO-CXUHLZMHSA-N -1 3 378.411 3.624 20 50 GHGDHM CCCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000821143717 945642234 /nfs/dbraw/zinc/64/22/34/945642234.db2.gz WJLDMEROIAHFPO-CXUHLZMHSA-N -1 3 378.411 3.624 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1cccc(Cl)c1Cl ZINC000822796654 946187394 /nfs/dbraw/zinc/18/73/94/946187394.db2.gz UKBRBPAUIVCDNT-SOFGYWHQSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc2ccccc21 ZINC000822796699 946187517 /nfs/dbraw/zinc/18/75/17/946187517.db2.gz WGJKYNASJUAJJY-MHWRWJLKSA-N -1 3 384.374 3.705 20 50 GHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc2ccccc21 ZINC000822796699 946187525 /nfs/dbraw/zinc/18/75/25/946187525.db2.gz WGJKYNASJUAJJY-MHWRWJLKSA-N -1 3 384.374 3.705 20 50 GHGDHM CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)cc1 ZINC001590451131 990011297 /nfs/dbraw/zinc/01/12/97/990011297.db2.gz AWGHMUIVUSHMDT-LJQANCHMSA-N -1 3 393.600 3.866 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(OCC2CCCCC2)cc1 ZINC000826448979 607338755 /nfs/dbraw/zinc/33/87/55/607338755.db2.gz VYSHZZAVVIPSIB-UHFFFAOYSA-N -1 3 392.463 3.583 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(OCC2CCCCC2)cc1 ZINC000826448979 607338757 /nfs/dbraw/zinc/33/87/57/607338757.db2.gz VYSHZZAVVIPSIB-UHFFFAOYSA-N -1 3 392.463 3.583 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000826379442 607883660 /nfs/dbraw/zinc/88/36/60/607883660.db2.gz RRMLPCLURWFATB-XFXZXTDPSA-N -1 3 398.398 3.727 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000826379442 607883661 /nfs/dbraw/zinc/88/36/61/607883661.db2.gz RRMLPCLURWFATB-XFXZXTDPSA-N -1 3 398.398 3.727 20 50 GHGDHM N#CC(=Cc1cnc(-c2ccccc2)s1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379496 608213580 /nfs/dbraw/zinc/21/35/80/608213580.db2.gz SZSXSXUHVQIUAD-MHWRWJLKSA-N -1 3 384.424 3.780 20 50 GHGDHM N#CC(=Cc1cnc(-c2ccccc2)s1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379496 608213581 /nfs/dbraw/zinc/21/35/81/608213581.db2.gz SZSXSXUHVQIUAD-MHWRWJLKSA-N -1 3 384.424 3.780 20 50 GHGDHM CC(C)(C)c1ccc(C(=O)C(C#N)=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735649168 944683743 /nfs/dbraw/zinc/68/37/43/944683743.db2.gz YHBHRTDERQTUOU-YBEGLDIGSA-N -1 3 397.442 3.602 20 50 GHGDHM CC(C)(C)c1ccc(C(=O)C(C#N)=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735649168 944683750 /nfs/dbraw/zinc/68/37/50/944683750.db2.gz YHBHRTDERQTUOU-YBEGLDIGSA-N -1 3 397.442 3.602 20 50 GHGDHM CC(C)n1cc(C=C(C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)cn1 ZINC000735959716 944728555 /nfs/dbraw/zinc/72/85/55/944728555.db2.gz AXAHVLBPDJZNSO-APSNUPSMSA-N -1 3 388.460 3.832 20 50 GHGDHM CC(C)n1cc(C=C(C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cn1 ZINC000735959716 944728558 /nfs/dbraw/zinc/72/85/58/944728558.db2.gz AXAHVLBPDJZNSO-APSNUPSMSA-N -1 3 388.460 3.832 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822796502 946184674 /nfs/dbraw/zinc/18/46/74/946184674.db2.gz SWBSLYYYAKXNGF-QPEQYQDCSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822796502 946184681 /nfs/dbraw/zinc/18/46/81/946184681.db2.gz SWBSLYYYAKXNGF-QPEQYQDCSA-N -1 3 387.296 3.814 20 50 GHGDHM CC(C)c1ccc(NNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC001574417063 948763863 /nfs/dbraw/zinc/76/38/63/948763863.db2.gz KMPTTZSIRRVKIT-UHFFFAOYSA-N -1 3 382.472 3.695 20 50 GHGDHM CC(C)c1ccc(NNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC001574417063 948763874 /nfs/dbraw/zinc/76/38/74/948763874.db2.gz KMPTTZSIRRVKIT-UHFFFAOYSA-N -1 3 382.472 3.695 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000826447252 607342432 /nfs/dbraw/zinc/34/24/32/607342432.db2.gz WNIOLHQBRKHIAG-UHFFFAOYSA-N -1 3 380.795 3.537 20 50 GHGDHM Cc1ccc(-c2ccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c(F)c2)cc1 ZINC000826273659 607348317 /nfs/dbraw/zinc/34/83/17/607348317.db2.gz OKMUBPPBTOCABV-UHFFFAOYSA-N -1 3 388.406 3.738 20 50 GHGDHM CC[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000825039135 607350153 /nfs/dbraw/zinc/35/01/53/607350153.db2.gz MTEBHZFNZHKRHD-OAHLLOKOSA-N -1 3 390.369 3.522 20 50 GHGDHM O=C(CCCc1ccc(Cl)c(Cl)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406603 607354107 /nfs/dbraw/zinc/35/41/07/607354107.db2.gz DQTRXUWEVJNZCU-UHFFFAOYSA-N -1 3 391.262 3.640 20 50 GHGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)sc1-c1ccc(F)cc1 ZINC000826259762 607724076 /nfs/dbraw/zinc/72/40/76/607724076.db2.gz DSUTYKIZYHZHQS-UHFFFAOYSA-N -1 3 394.435 3.800 20 50 GHGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)sc1-c1ccc(F)cc1 ZINC000826259762 607724079 /nfs/dbraw/zinc/72/40/79/607724079.db2.gz DSUTYKIZYHZHQS-UHFFFAOYSA-N -1 3 394.435 3.800 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2c(F)cccc2F)c1 ZINC000826446980 607943284 /nfs/dbraw/zinc/94/32/84/607943284.db2.gz ICUXYWJSUDOYHO-UHFFFAOYSA-N -1 3 392.369 3.569 20 50 GHGDHM N#CC(=Cc1ccc(F)cc1C(F)(F)F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378906 608215475 /nfs/dbraw/zinc/21/54/75/608215475.db2.gz DIZXXBCSQQSQRQ-MLPAPPSSSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1ccc(F)cc1C(F)(F)F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378906 608215476 /nfs/dbraw/zinc/21/54/76/608215476.db2.gz DIZXXBCSQQSQRQ-MLPAPPSSSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1ccccn1 ZINC000737672328 945110992 /nfs/dbraw/zinc/11/09/92/945110992.db2.gz MWBKTXOXDPIKJW-PDGQHHTCSA-N -1 3 380.411 3.905 20 50 GHGDHM N#CC(=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1ccccn1 ZINC000737672328 945111000 /nfs/dbraw/zinc/11/10/00/945111000.db2.gz MWBKTXOXDPIKJW-PDGQHHTCSA-N -1 3 380.411 3.905 20 50 GHGDHM O=C(CCCC[C@H]1CCSS1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737823984 945133526 /nfs/dbraw/zinc/13/35/26/945133526.db2.gz CZXVDBGEDOMGIW-ZDUSSCGKSA-N -1 3 382.486 3.763 20 50 GHGDHM O=C(CCCC[C@H]1CCSS1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737823984 945133532 /nfs/dbraw/zinc/13/35/32/945133532.db2.gz CZXVDBGEDOMGIW-ZDUSSCGKSA-N -1 3 382.486 3.763 20 50 GHGDHM Cc1cccc(NNC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737398968 945055621 /nfs/dbraw/zinc/05/56/21/945055621.db2.gz GNHLFEMHWUQDAV-UHFFFAOYSA-N -1 3 385.431 3.676 20 50 GHGDHM Cc1ccc2c(c1)sc(C(=O)NNc1ccc(-c3nn[n-]n3)cc1)c2Cl ZINC000826293402 607345864 /nfs/dbraw/zinc/34/58/64/607345864.db2.gz OGEQCZAQIUAIMR-UHFFFAOYSA-N -1 3 384.852 3.800 20 50 GHGDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCC[C@@H]1CCSS1 ZINC000826253558 607407212 /nfs/dbraw/zinc/40/72/12/607407212.db2.gz VHXODRQQLPQXDO-OAHLLOKOSA-N -1 3 378.523 3.932 20 50 GHGDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCC[C@@H]1CCSS1 ZINC000826253558 607407213 /nfs/dbraw/zinc/40/72/13/607407213.db2.gz VHXODRQQLPQXDO-OAHLLOKOSA-N -1 3 378.523 3.932 20 50 GHGDHM O=C(CCCC[C@H]1CCSS1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826405953 607421437 /nfs/dbraw/zinc/42/14/37/607421437.db2.gz AQDZHDDZXICFPT-HNNXBMFYSA-N -1 3 389.550 3.686 20 50 GHGDHM O=C(CCCC[C@H]1CCSS1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826405953 607421438 /nfs/dbraw/zinc/42/14/38/607421438.db2.gz AQDZHDDZXICFPT-HNNXBMFYSA-N -1 3 389.550 3.686 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379128 608288473 /nfs/dbraw/zinc/28/84/73/608288473.db2.gz JPBGQQQEZZVDNZ-GHXNOFRVSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379128 608288474 /nfs/dbraw/zinc/28/84/74/608288474.db2.gz JPBGQQQEZZVDNZ-GHXNOFRVSA-N -1 3 387.296 3.814 20 50 GHGDHM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(SC(C)C)cc1 ZINC000735449088 944657726 /nfs/dbraw/zinc/65/77/26/944657726.db2.gz VLCCRZOOBROEIK-UHFFFAOYSA-N -1 3 380.477 3.521 20 50 GHGDHM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(SC(C)C)cc1 ZINC000735449088 944657731 /nfs/dbraw/zinc/65/77/31/944657731.db2.gz VLCCRZOOBROEIK-UHFFFAOYSA-N -1 3 380.477 3.521 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1c[nH]c2cc(Cl)ccc21 ZINC000822796024 946180110 /nfs/dbraw/zinc/18/01/10/946180110.db2.gz KMVPHRUNBDLPQS-LFYBBSHMSA-N -1 3 392.781 3.930 20 50 GHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1c[nH]c2cc(Cl)ccc21 ZINC000822796024 946180120 /nfs/dbraw/zinc/18/01/20/946180120.db2.gz KMVPHRUNBDLPQS-LFYBBSHMSA-N -1 3 392.781 3.930 20 50 GHGDHM O=C(CCCc1cc(Cl)sc1Cl)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406527 607334563 /nfs/dbraw/zinc/33/45/63/607334563.db2.gz AXWRKQIJBRHPOE-UHFFFAOYSA-N -1 3 397.291 3.701 20 50 GHGDHM O=C(CCCc1cc(Cl)sc1Cl)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406527 607334565 /nfs/dbraw/zinc/33/45/65/607334565.db2.gz AXWRKQIJBRHPOE-UHFFFAOYSA-N -1 3 397.291 3.701 20 50 GHGDHM CCC(CC)(C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000825090428 607726067 /nfs/dbraw/zinc/72/60/67/607726067.db2.gz ZEZSUYASCPXRQU-UHFFFAOYSA-N -1 3 384.871 3.721 20 50 GHGDHM CCC(CC)(C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000825090428 607726069 /nfs/dbraw/zinc/72/60/69/607726069.db2.gz ZEZSUYASCPXRQU-UHFFFAOYSA-N -1 3 384.871 3.721 20 50 GHGDHM N#CC(=Cc1csc(-c2cccs2)n1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379266 608213715 /nfs/dbraw/zinc/21/37/15/608213715.db2.gz NMFNIJXQBOMCEC-MDWZMJQESA-N -1 3 390.453 3.842 20 50 GHGDHM N#CC(=Cc1csc(-c2cccs2)n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379266 608213716 /nfs/dbraw/zinc/21/37/16/608213716.db2.gz NMFNIJXQBOMCEC-MDWZMJQESA-N -1 3 390.453 3.842 20 50 GHGDHM Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000826285695 608216488 /nfs/dbraw/zinc/21/64/88/608216488.db2.gz HNCGVONCJFCCKI-CHHVJCJISA-N -1 3 394.232 3.728 20 50 GHGDHM Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000826285695 608216490 /nfs/dbraw/zinc/21/64/90/608216490.db2.gz HNCGVONCJFCCKI-CHHVJCJISA-N -1 3 394.232 3.728 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000826447911 608803350 /nfs/dbraw/zinc/80/33/50/608803350.db2.gz ATOMPWYMQXNXTA-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000826447911 608803352 /nfs/dbraw/zinc/80/33/52/608803352.db2.gz ATOMPWYMQXNXTA-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)Nc1cccc(Cl)c1 ZINC000738136562 945235287 /nfs/dbraw/zinc/23/52/87/945235287.db2.gz GUCBUXZSTDGLTB-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Nc1cccc(Cl)c1 ZINC000738136562 945235294 /nfs/dbraw/zinc/23/52/94/945235294.db2.gz GUCBUXZSTDGLTB-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820668805 945520028 /nfs/dbraw/zinc/52/00/28/945520028.db2.gz WVAOXTAOIZNLSN-NVGVWMPQSA-N -1 3 397.870 3.544 20 50 GHGDHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820668805 945520032 /nfs/dbraw/zinc/52/00/32/945520032.db2.gz WVAOXTAOIZNLSN-NVGVWMPQSA-N -1 3 397.870 3.544 20 50 GHGDHM CCCn1c(C)cc(C=C(C#N)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1C ZINC000821143757 945642656 /nfs/dbraw/zinc/64/26/56/945642656.db2.gz XILUIQNKUFABMK-GZTJUZNOSA-N -1 3 389.463 3.549 20 50 GHGDHM CCCn1c(C)cc(C=C(C#N)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1C ZINC000821143757 945642659 /nfs/dbraw/zinc/64/26/59/945642659.db2.gz XILUIQNKUFABMK-GZTJUZNOSA-N -1 3 389.463 3.549 20 50 GHGDHM N#CC(=Cc1cc(C#N)cs1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822796149 946181949 /nfs/dbraw/zinc/18/19/49/946181949.db2.gz MLDJUJXEZUESCB-MKMNVTDBSA-N -1 3 387.453 3.988 20 50 GHGDHM N#CC(=Cc1cc(C#N)cs1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822796149 946181953 /nfs/dbraw/zinc/18/19/53/946181953.db2.gz MLDJUJXEZUESCB-MKMNVTDBSA-N -1 3 387.453 3.988 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1ncc(C(F)(F)F)cc1Cl ZINC000826378781 948172470 /nfs/dbraw/zinc/17/24/70/948172470.db2.gz ADLZXPMFVTYONL-BJMVGYQFSA-N -1 3 376.729 3.998 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1ncc(C(F)(F)F)cc1Cl ZINC000826378781 948172476 /nfs/dbraw/zinc/17/24/76/948172476.db2.gz ADLZXPMFVTYONL-BJMVGYQFSA-N -1 3 376.729 3.998 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1OC1CCCC1 ZINC000826447116 607346135 /nfs/dbraw/zinc/34/61/35/607346135.db2.gz OBJXZZZSAJZGPP-UHFFFAOYSA-N -1 3 398.854 3.598 20 50 GHGDHM Cc1c2ccc3ccccc3c2oc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826234539 607350115 /nfs/dbraw/zinc/35/01/15/607350115.db2.gz BEPLCZSTQDZSJG-UHFFFAOYSA-N -1 3 384.399 3.831 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1-c1cccs1 ZINC000826448101 608805804 /nfs/dbraw/zinc/80/58/04/608805804.db2.gz IQCMJGCGLINYRT-UHFFFAOYSA-N -1 3 377.433 3.744 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1-c1cccs1 ZINC000826448101 608805806 /nfs/dbraw/zinc/80/58/06/608805806.db2.gz IQCMJGCGLINYRT-UHFFFAOYSA-N -1 3 377.433 3.744 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(-c2cccs2)c1 ZINC000826448217 608810684 /nfs/dbraw/zinc/81/06/84/608810684.db2.gz MNPBUQNSGHPTNC-UHFFFAOYSA-N -1 3 377.433 3.744 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(-c2cccs2)c1 ZINC000826448217 608810687 /nfs/dbraw/zinc/81/06/87/608810687.db2.gz MNPBUQNSGHPTNC-UHFFFAOYSA-N -1 3 377.433 3.744 20 50 GHGDHM CC(C)(C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735585440 944672703 /nfs/dbraw/zinc/67/27/03/944672703.db2.gz BQURZIDEGHMRSD-GZTJUZNOSA-N -1 3 387.443 3.968 20 50 GHGDHM CC(C)(C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735585440 944672709 /nfs/dbraw/zinc/67/27/09/944672709.db2.gz BQURZIDEGHMRSD-GZTJUZNOSA-N -1 3 387.443 3.968 20 50 GHGDHM CC[C@@H](C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820843343 945570888 /nfs/dbraw/zinc/57/08/88/945570888.db2.gz WRQRMNRVGCATLY-CYBMUJFWSA-N -1 3 390.369 3.522 20 50 GHGDHM CC[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820843343 945570893 /nfs/dbraw/zinc/57/08/93/945570893.db2.gz WRQRMNRVGCATLY-CYBMUJFWSA-N -1 3 390.369 3.522 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2n1C(F)F ZINC000822796686 946187243 /nfs/dbraw/zinc/18/72/43/946187243.db2.gz VUXBLGKVDDSJAE-KPKJPENVSA-N -1 3 381.321 3.815 20 50 GHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2n1C(F)F ZINC000822796686 946187248 /nfs/dbraw/zinc/18/72/48/946187248.db2.gz VUXBLGKVDDSJAE-KPKJPENVSA-N -1 3 381.321 3.815 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1ncc(C(F)(F)F)cc1Cl ZINC000826378782 948172424 /nfs/dbraw/zinc/17/24/24/948172424.db2.gz ADLZXPMFVTYONL-YHYXMXQVSA-N -1 3 376.729 3.998 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1ncc(C(F)(F)F)cc1Cl ZINC000826378782 948172427 /nfs/dbraw/zinc/17/24/27/948172427.db2.gz ADLZXPMFVTYONL-YHYXMXQVSA-N -1 3 376.729 3.998 20 50 GHGDHM O=C(NNc1cccc(F)c1F)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823281382 599491431 /nfs/dbraw/zinc/49/14/31/599491431.db2.gz RLZFKRPAUFDHBB-UHFFFAOYSA-N -1 3 392.369 3.569 20 50 GHGDHM O=C(NNc1cccc(F)c1F)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823281382 599491433 /nfs/dbraw/zinc/49/14/33/599491433.db2.gz RLZFKRPAUFDHBB-UHFFFAOYSA-N -1 3 392.369 3.569 20 50 GHGDHM N#CC(=Cc1cc(F)ccc1Br)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378968 608213784 /nfs/dbraw/zinc/21/37/84/608213784.db2.gz GBMKTDSRKQQAMR-NTUHNPAUSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1cc(F)ccc1Br)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378968 608213785 /nfs/dbraw/zinc/21/37/85/608213785.db2.gz GBMKTDSRKQQAMR-NTUHNPAUSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1ccc(-c2ccncc2)cc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379255 608215527 /nfs/dbraw/zinc/21/55/27/608215527.db2.gz NGPBMHQRALYBEG-VXLYETTFSA-N -1 3 396.385 3.858 20 50 GHGDHM N#CC(=Cc1ccc(-c2ccncc2)cc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379255 608215528 /nfs/dbraw/zinc/21/55/28/608215528.db2.gz NGPBMHQRALYBEG-VXLYETTFSA-N -1 3 396.385 3.858 20 50 GHGDHM N#CC(=Cc1csc(-c2ccccc2)n1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379260 608217355 /nfs/dbraw/zinc/21/73/55/608217355.db2.gz NHRDSFSUAADMRN-YBEGLDIGSA-N -1 3 384.424 3.780 20 50 GHGDHM N#CC(=Cc1csc(-c2ccccc2)n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379260 608217356 /nfs/dbraw/zinc/21/73/56/608217356.db2.gz NHRDSFSUAADMRN-YBEGLDIGSA-N -1 3 384.424 3.780 20 50 GHGDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCCC[C@H]1CCSS1 ZINC000821741932 945851791 /nfs/dbraw/zinc/85/17/91/945851791.db2.gz VIVUJFGCVOMKJZ-AWEZNQCLSA-N -1 3 394.522 3.633 20 50 GHGDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCCC[C@H]1CCSS1 ZINC000821741932 945851803 /nfs/dbraw/zinc/85/18/03/945851803.db2.gz VIVUJFGCVOMKJZ-AWEZNQCLSA-N -1 3 394.522 3.633 20 50 GHGDHM Cc1ccc(SC2CCCC2)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826292617 947849398 /nfs/dbraw/zinc/84/93/98/947849398.db2.gz DCSXCJAEVQONRH-UHFFFAOYSA-N -1 3 394.504 3.967 20 50 GHGDHM Cc1ccc(SC2CCCC2)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826292617 947849401 /nfs/dbraw/zinc/84/94/01/947849401.db2.gz DCSXCJAEVQONRH-UHFFFAOYSA-N -1 3 394.504 3.967 20 50 GHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000826266366 608214809 /nfs/dbraw/zinc/21/48/09/608214809.db2.gz MNVTYJPMGNSGOI-OVCLIPMQSA-N -1 3 394.232 3.728 20 50 GHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000826266366 608214810 /nfs/dbraw/zinc/21/48/10/608214810.db2.gz MNVTYJPMGNSGOI-OVCLIPMQSA-N -1 3 394.232 3.728 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc2oc3ccccc3c2c1 ZINC000826448147 608803677 /nfs/dbraw/zinc/80/36/77/608803677.db2.gz JZBKSOWMCHAESV-UHFFFAOYSA-N -1 3 385.387 3.915 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc2oc3ccccc3c2c1 ZINC000826448147 608803678 /nfs/dbraw/zinc/80/36/78/608803678.db2.gz JZBKSOWMCHAESV-UHFFFAOYSA-N -1 3 385.387 3.915 20 50 GHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825722697 608873922 /nfs/dbraw/zinc/87/39/22/608873922.db2.gz JVUBSAZVTMGAMX-MHWRWJLKSA-N -1 3 390.422 3.676 20 50 GHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825722697 608873927 /nfs/dbraw/zinc/87/39/27/608873927.db2.gz JVUBSAZVTMGAMX-MHWRWJLKSA-N -1 3 390.422 3.676 20 50 GHGDHM C[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498367 609180411 /nfs/dbraw/zinc/18/04/11/609180411.db2.gz FSIFLUDELJWSKN-ZDUSSCGKSA-N -1 3 379.468 3.552 20 50 GHGDHM C[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498367 609180412 /nfs/dbraw/zinc/18/04/12/609180412.db2.gz FSIFLUDELJWSKN-ZDUSSCGKSA-N -1 3 379.468 3.552 20 50 GHGDHM C[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820374229 945436230 /nfs/dbraw/zinc/43/62/30/945436230.db2.gz NEKMSCOGYAZVRG-VIFPVBQESA-N -1 3 392.250 3.561 20 50 GHGDHM C[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820374229 945436232 /nfs/dbraw/zinc/43/62/32/945436232.db2.gz NEKMSCOGYAZVRG-VIFPVBQESA-N -1 3 392.250 3.561 20 50 GHGDHM Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822035534 945960122 /nfs/dbraw/zinc/96/01/22/945960122.db2.gz WGRKHBCCMLCKFV-QPEQYQDCSA-N -1 3 382.786 3.513 20 50 GHGDHM Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822035534 945960134 /nfs/dbraw/zinc/96/01/34/945960134.db2.gz WGRKHBCCMLCKFV-QPEQYQDCSA-N -1 3 382.786 3.513 20 50 GHGDHM C[C@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000824385630 607356501 /nfs/dbraw/zinc/35/65/01/607356501.db2.gz XYBIPPRKJSNHCU-LLVKDONJSA-N -1 3 390.369 3.522 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000826379416 607883798 /nfs/dbraw/zinc/88/37/98/607883798.db2.gz QYLCQILVQFERTB-VZUCSPMQSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000826379416 607883799 /nfs/dbraw/zinc/88/37/99/607883799.db2.gz QYLCQILVQFERTB-VZUCSPMQSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1nc(-c2ccccc2)cs1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379248 608215306 /nfs/dbraw/zinc/21/53/06/608215306.db2.gz NDQYUZVKLWBYEP-YBEGLDIGSA-N -1 3 384.424 3.780 20 50 GHGDHM N#CC(=Cc1nc(-c2ccccc2)cs1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379248 608215308 /nfs/dbraw/zinc/21/53/08/608215308.db2.gz NDQYUZVKLWBYEP-YBEGLDIGSA-N -1 3 384.424 3.780 20 50 GHGDHM N#CC(=Cc1cc(C(F)(F)F)ccc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379530 608215790 /nfs/dbraw/zinc/21/57/90/608215790.db2.gz UPHFWAPFVKTCTC-QPEQYQDCSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1cc(C(F)(F)F)ccc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379530 608215792 /nfs/dbraw/zinc/21/57/92/608215792.db2.gz UPHFWAPFVKTCTC-QPEQYQDCSA-N -1 3 387.296 3.814 20 50 GHGDHM C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498366 609180416 /nfs/dbraw/zinc/18/04/16/609180416.db2.gz FSIFLUDELJWSKN-CYBMUJFWSA-N -1 3 379.468 3.552 20 50 GHGDHM C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498366 609180417 /nfs/dbraw/zinc/18/04/17/609180417.db2.gz FSIFLUDELJWSKN-CYBMUJFWSA-N -1 3 379.468 3.552 20 50 GHGDHM O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000738128420 945194575 /nfs/dbraw/zinc/19/45/75/945194575.db2.gz BRHDMVSLXGAIJU-UHFFFAOYSA-N -1 3 392.806 3.544 20 50 GHGDHM O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000738128420 945194579 /nfs/dbraw/zinc/19/45/79/945194579.db2.gz BRHDMVSLXGAIJU-UHFFFAOYSA-N -1 3 392.806 3.544 20 50 GHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821492290 945707272 /nfs/dbraw/zinc/70/72/72/945707272.db2.gz KOABFPFHFCGYHJ-LICLKQGHSA-N -1 3 390.422 3.676 20 50 GHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821492290 945707274 /nfs/dbraw/zinc/70/72/74/945707274.db2.gz KOABFPFHFCGYHJ-LICLKQGHSA-N -1 3 390.422 3.676 20 50 GHGDHM Cc1ncsc1C=C(C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822481722 946100480 /nfs/dbraw/zinc/10/04/80/946100480.db2.gz CNEWOVBBUDDMKS-AWNIVKPZSA-N -1 3 377.458 3.819 20 50 GHGDHM Cc1ncsc1C=C(C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822481722 946100488 /nfs/dbraw/zinc/10/04/88/946100488.db2.gz CNEWOVBBUDDMKS-AWNIVKPZSA-N -1 3 377.458 3.819 20 50 GHGDHM O=C(NN(c1ccccc1)c1ccccc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823269317 946362725 /nfs/dbraw/zinc/36/27/25/946362725.db2.gz CIMDEVCSXQWYIH-UHFFFAOYSA-N -1 3 392.369 3.628 20 50 GHGDHM O=C(NN(c1ccccc1)c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823269317 946362735 /nfs/dbraw/zinc/36/27/35/946362735.db2.gz CIMDEVCSXQWYIH-UHFFFAOYSA-N -1 3 392.369 3.628 20 50 GHGDHM CC(C)(C)CC(C)(C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001573839141 950126448 /nfs/dbraw/zinc/12/64/48/950126448.db2.gz LYTYNKPRPPIHCZ-UHFFFAOYSA-N -1 3 384.406 3.791 20 50 GHGDHM CC(C)(C)CC(C)(C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001573839141 950126459 /nfs/dbraw/zinc/12/64/59/950126459.db2.gz LYTYNKPRPPIHCZ-UHFFFAOYSA-N -1 3 384.406 3.791 20 50 GHGDHM CCCCCCOc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825271025 607344372 /nfs/dbraw/zinc/34/43/72/607344372.db2.gz FVLUSEMVXLCODK-UHFFFAOYSA-N -1 3 380.452 3.583 20 50 GHGDHM CC(C)=CCSc1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824176828 607353407 /nfs/dbraw/zinc/35/34/07/607353407.db2.gz AVPJVCGNVNTTJE-UHFFFAOYSA-N -1 3 380.477 3.682 20 50 GHGDHM Cc1cc2occ(CC(=O)NNc3cccc(-c4nnn[n-]4)c3)c2cc1C(C)C ZINC000826273312 607727553 /nfs/dbraw/zinc/72/75/53/607727553.db2.gz YCZSTJYVHLMGIT-UHFFFAOYSA-N -1 3 390.447 3.731 20 50 GHGDHM Cc1cc2occ(CC(=O)NNc3cccc(-c4nn[n-]n4)c3)c2cc1C(C)C ZINC000826273312 607727555 /nfs/dbraw/zinc/72/75/55/607727555.db2.gz YCZSTJYVHLMGIT-UHFFFAOYSA-N -1 3 390.447 3.731 20 50 GHGDHM N#CC(=Cc1ccc(Br)cc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378978 608215596 /nfs/dbraw/zinc/21/55/96/608215596.db2.gz GFRUPSMTDYCIGQ-AWNIVKPZSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1ccc(Br)cc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378978 608215597 /nfs/dbraw/zinc/21/55/97/608215597.db2.gz GFRUPSMTDYCIGQ-AWNIVKPZSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1cc(Br)ccc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379565 608216171 /nfs/dbraw/zinc/21/61/71/608216171.db2.gz VTSCDDODBPMDFF-QPEQYQDCSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1cc(Br)ccc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379565 608216172 /nfs/dbraw/zinc/21/61/72/608216172.db2.gz VTSCDDODBPMDFF-QPEQYQDCSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1cccc2nccn21)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379467 608754791 /nfs/dbraw/zinc/75/47/91/608754791.db2.gz SGYBJULUFMNBBO-XNTDXEJSSA-N -1 3 396.439 3.702 20 50 GHGDHM N#CC(=Cc1cccc2nccn21)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826379467 608754793 /nfs/dbraw/zinc/75/47/93/608754793.db2.gz SGYBJULUFMNBBO-XNTDXEJSSA-N -1 3 396.439 3.702 20 50 GHGDHM CCN(C(=O)[C@H](Br)C(C)(C)C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362239 609268701 /nfs/dbraw/zinc/26/87/01/609268701.db2.gz KJTNPDMRPKNILR-RISCZKNCSA-N -1 3 394.317 3.586 20 50 GHGDHM CCN(C(=O)[C@H](Br)C(C)(C)C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362239 609268702 /nfs/dbraw/zinc/26/87/02/609268702.db2.gz KJTNPDMRPKNILR-RISCZKNCSA-N -1 3 394.317 3.586 20 50 GHGDHM C[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820375158 945442332 /nfs/dbraw/zinc/44/23/32/945442332.db2.gz ZAHLOROHGNRYPO-SECBINFHSA-N -1 3 392.250 3.561 20 50 GHGDHM C[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820375158 945442339 /nfs/dbraw/zinc/44/23/39/945442339.db2.gz ZAHLOROHGNRYPO-SECBINFHSA-N -1 3 392.250 3.561 20 50 GHGDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820882697 945583596 /nfs/dbraw/zinc/58/35/96/945583596.db2.gz XREFDGUURUNRIN-ACLQVGRQSA-N -1 3 378.461 3.987 20 50 GHGDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820882697 945583603 /nfs/dbraw/zinc/58/36/03/945583603.db2.gz XREFDGUURUNRIN-ACLQVGRQSA-N -1 3 378.461 3.987 20 50 GHGDHM Cc1c2ccc3ccccc3c2oc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826234994 607727773 /nfs/dbraw/zinc/72/77/73/607727773.db2.gz YKJHGOCKFQCSBO-UHFFFAOYSA-N -1 3 384.399 3.831 20 50 GHGDHM Cc1c2ccc3ccccc3c2oc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826234994 607727776 /nfs/dbraw/zinc/72/77/76/607727776.db2.gz YKJHGOCKFQCSBO-UHFFFAOYSA-N -1 3 384.399 3.831 20 50 GHGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(C(F)F)cc1 ZINC000823281205 606129254 /nfs/dbraw/zinc/12/92/54/606129254.db2.gz OBHPUXKTRYDFQE-UHFFFAOYSA-N -1 3 398.295 3.580 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(C(F)F)cc1 ZINC000823281205 606129255 /nfs/dbraw/zinc/12/92/55/606129255.db2.gz OBHPUXKTRYDFQE-UHFFFAOYSA-N -1 3 398.295 3.580 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000826379186 607883762 /nfs/dbraw/zinc/88/37/62/607883762.db2.gz LDYDFFRZDYRXLK-XFFZJAGNSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000826379186 607883763 /nfs/dbraw/zinc/88/37/63/607883763.db2.gz LDYDFFRZDYRXLK-XFFZJAGNSA-N -1 3 385.214 3.719 20 50 GHGDHM CC(C)(C)Sc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824123227 608807419 /nfs/dbraw/zinc/80/74/19/608807419.db2.gz AJNWFXQIYDLQRT-UHFFFAOYSA-N -1 3 383.481 3.906 20 50 GHGDHM CC(C)(C)Sc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824123227 608807422 /nfs/dbraw/zinc/80/74/22/608807422.db2.gz AJNWFXQIYDLQRT-UHFFFAOYSA-N -1 3 383.481 3.906 20 50 GHGDHM CCN(C(=O)[C@@H](Br)C(C)(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362241 609268488 /nfs/dbraw/zinc/26/84/88/609268488.db2.gz KJTNPDMRPKNILR-SMDDNHRTSA-N -1 3 394.317 3.586 20 50 GHGDHM CCN(C(=O)[C@@H](Br)C(C)(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362241 609268490 /nfs/dbraw/zinc/26/84/90/609268490.db2.gz KJTNPDMRPKNILR-SMDDNHRTSA-N -1 3 394.317 3.586 20 50 GHGDHM Cc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1OC(F)F ZINC000826297377 609308960 /nfs/dbraw/zinc/30/89/60/609308960.db2.gz FMBLJSSFUXUYHB-OQLLNIDSSA-N -1 3 381.342 3.566 20 50 GHGDHM Cc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1OC(F)F ZINC000826297377 609308961 /nfs/dbraw/zinc/30/89/61/609308961.db2.gz FMBLJSSFUXUYHB-OQLLNIDSSA-N -1 3 381.342 3.566 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1sc2cc(F)ccc2c1Cl ZINC000826449307 607723726 /nfs/dbraw/zinc/72/37/26/607723726.db2.gz LTAJKLOVCNRJMP-UHFFFAOYSA-N -1 3 388.815 3.631 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1sc2cc(F)ccc2c1Cl ZINC000826449307 607723728 /nfs/dbraw/zinc/72/37/28/607723728.db2.gz LTAJKLOVCNRJMP-UHFFFAOYSA-N -1 3 388.815 3.631 20 50 GHGDHM C[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000824385079 607727694 /nfs/dbraw/zinc/72/76/94/607727694.db2.gz LEQBDNBDEFIFDO-NSHDSACASA-N -1 3 390.369 3.522 20 50 GHGDHM C[C@@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000824385079 607727696 /nfs/dbraw/zinc/72/76/96/607727696.db2.gz LEQBDNBDEFIFDO-NSHDSACASA-N -1 3 390.369 3.522 20 50 GHGDHM O=C(CC(c1ccccc1)c1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404330 607728480 /nfs/dbraw/zinc/72/84/80/607728480.db2.gz WNAKMJSZCAJVEZ-UHFFFAOYSA-N -1 3 384.443 3.532 20 50 GHGDHM O=C(CC(c1ccccc1)c1ccccc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404330 607728482 /nfs/dbraw/zinc/72/84/82/607728482.db2.gz WNAKMJSZCAJVEZ-UHFFFAOYSA-N -1 3 384.443 3.532 20 50 GHGDHM Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826286057 608216674 /nfs/dbraw/zinc/21/66/74/608216674.db2.gz RCYYTSGGULPKEF-OVCLIPMQSA-N -1 3 394.232 3.728 20 50 GHGDHM Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826286057 608216676 /nfs/dbraw/zinc/21/66/76/608216676.db2.gz RCYYTSGGULPKEF-OVCLIPMQSA-N -1 3 394.232 3.728 20 50 GHGDHM Cc1c(COC(C)(C)C)cccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826236196 608813884 /nfs/dbraw/zinc/81/38/84/608813884.db2.gz BIVYMPHQDFCUMY-UHFFFAOYSA-N -1 3 395.467 3.639 20 50 GHGDHM Cc1c(COC(C)(C)C)cccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826236196 608813888 /nfs/dbraw/zinc/81/38/88/608813888.db2.gz BIVYMPHQDFCUMY-UHFFFAOYSA-N -1 3 395.467 3.639 20 50 GHGDHM Cc1ccccc1NNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826307456 609311534 /nfs/dbraw/zinc/31/15/34/609311534.db2.gz JDDSILFBAPQDQX-UHFFFAOYSA-N -1 3 386.415 3.724 20 50 GHGDHM Cc1ccccc1NNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826307456 609311536 /nfs/dbraw/zinc/31/15/36/609311536.db2.gz JDDSILFBAPQDQX-UHFFFAOYSA-N -1 3 386.415 3.724 20 50 GHGDHM Cc1ccccc1-c1cccc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737417744 945063166 /nfs/dbraw/zinc/06/31/66/945063166.db2.gz KVZZHFLTWOXRHG-UHFFFAOYSA-N -1 3 382.427 3.606 20 50 GHGDHM Cc1ccccc1-c1cccc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737417744 945063176 /nfs/dbraw/zinc/06/31/76/945063176.db2.gz KVZZHFLTWOXRHG-UHFFFAOYSA-N -1 3 382.427 3.606 20 50 GHGDHM O=C(NN=Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-c2ccccc2)cc1 ZINC000738128540 945197214 /nfs/dbraw/zinc/19/72/14/945197214.db2.gz FZEHVJFLISGUHZ-UHFFFAOYSA-N -1 3 383.415 3.689 20 50 GHGDHM O=C(NN=Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-c2ccccc2)cc1 ZINC000738128540 945197219 /nfs/dbraw/zinc/19/72/19/945197219.db2.gz FZEHVJFLISGUHZ-UHFFFAOYSA-N -1 3 383.415 3.689 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000738136294 945234381 /nfs/dbraw/zinc/23/43/81/945234381.db2.gz DHUCRDRXYZLFAQ-QGZVFWFLSA-N -1 3 397.870 3.688 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000738136294 945234388 /nfs/dbraw/zinc/23/43/88/945234388.db2.gz DHUCRDRXYZLFAQ-QGZVFWFLSA-N -1 3 397.870 3.688 20 50 GHGDHM CC[C@H](C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736320944 944801030 /nfs/dbraw/zinc/80/10/30/944801030.db2.gz ZPZGSCDOVFFQJL-GZQZNAIASA-N -1 3 387.443 3.968 20 50 GHGDHM CC[C@H](C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736320944 944801043 /nfs/dbraw/zinc/80/10/43/944801043.db2.gz ZPZGSCDOVFFQJL-GZQZNAIASA-N -1 3 387.443 3.968 20 50 GHGDHM CC[C@H](C)C(=O)C(C#N)=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736320789 944801916 /nfs/dbraw/zinc/80/19/16/944801916.db2.gz XONQGAFLSROHOL-RPJLVFAOSA-N -1 3 387.443 3.968 20 50 GHGDHM CC[C@H](C)C(=O)C(C#N)=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736320789 944801925 /nfs/dbraw/zinc/80/19/25/944801925.db2.gz XONQGAFLSROHOL-RPJLVFAOSA-N -1 3 387.443 3.968 20 50 GHGDHM CC[C@@H](C)C(=O)C(C#N)=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736320790 944801952 /nfs/dbraw/zinc/80/19/52/944801952.db2.gz XONQGAFLSROHOL-SMLKNPDNSA-N -1 3 387.443 3.968 20 50 GHGDHM CC[C@@H](C)C(=O)C(C#N)=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736320790 944801960 /nfs/dbraw/zinc/80/19/60/944801960.db2.gz XONQGAFLSROHOL-SMLKNPDNSA-N -1 3 387.443 3.968 20 50 GHGDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820881655 945581319 /nfs/dbraw/zinc/58/13/19/945581319.db2.gz CKMIAICFVZNXLC-LQELWAHVSA-N -1 3 378.461 3.987 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822795843 946176837 /nfs/dbraw/zinc/17/68/37/946176837.db2.gz IFDGZPOJWNCMDI-YFHOEESVSA-N -1 3 375.335 3.737 20 50 GHGDHM COc1ccc(COC(=O)CCCC[C@H]2CCSS2)cc1-c1nnn[n-]1 ZINC000826205299 607597369 /nfs/dbraw/zinc/59/73/69/607597369.db2.gz RFEZAGKPHAJRTN-ZDUSSCGKSA-N -1 3 394.522 3.633 20 50 GHGDHM COc1ccc(COC(=O)CCCC[C@H]2CCSS2)cc1-c1nn[n-]n1 ZINC000826205299 607597371 /nfs/dbraw/zinc/59/73/71/607597371.db2.gz RFEZAGKPHAJRTN-ZDUSSCGKSA-N -1 3 394.522 3.633 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1Sc1ccccc1 ZINC000826448948 607728792 /nfs/dbraw/zinc/72/87/92/607728792.db2.gz URGPTECUJKIJTG-UHFFFAOYSA-N -1 3 388.456 3.775 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1Sc1ccccc1 ZINC000826448948 607728794 /nfs/dbraw/zinc/72/87/94/607728794.db2.gz URGPTECUJKIJTG-UHFFFAOYSA-N -1 3 388.456 3.775 20 50 GHGDHM N#CC(=Cc1cccc(OC(F)(F)F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379686 608217595 /nfs/dbraw/zinc/21/75/95/608217595.db2.gz YSKFUEUIXBKYQW-AUWJEWJLSA-N -1 3 385.305 3.555 20 50 GHGDHM N#CC(=Cc1cccc(OC(F)(F)F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379686 608217597 /nfs/dbraw/zinc/21/75/97/608217597.db2.gz YSKFUEUIXBKYQW-AUWJEWJLSA-N -1 3 385.305 3.555 20 50 GHGDHM O=C(NN=Cc1ccc(-c2ccccc2Cl)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129102 945199176 /nfs/dbraw/zinc/19/91/76/945199176.db2.gz OIFQKDBFTQGBBW-UHFFFAOYSA-N -1 3 392.806 3.544 20 50 GHGDHM O=C(NN=Cc1ccc(-c2ccccc2Cl)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129102 945199179 /nfs/dbraw/zinc/19/91/79/945199179.db2.gz OIFQKDBFTQGBBW-UHFFFAOYSA-N -1 3 392.806 3.544 20 50 GHGDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820881650 945582307 /nfs/dbraw/zinc/58/23/07/945582307.db2.gz CKMIAICFVZNXLC-GVIGZQTCSA-N -1 3 378.461 3.987 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000822796075 946179441 /nfs/dbraw/zinc/17/94/41/946179441.db2.gz LXEIVUAOZIDVAJ-VMPITWQZSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000822796076 946180237 /nfs/dbraw/zinc/18/02/37/946180237.db2.gz LXEIVUAOZIDVAJ-YVMONPNESA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc(-c2ccncc2)cs1 ZINC000822796497 946184950 /nfs/dbraw/zinc/18/49/50/946184950.db2.gz SVFYECHXQPILDZ-VGOFMYFVSA-N -1 3 375.392 3.588 20 50 GHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc(-c2ccncc2)cs1 ZINC000822796497 946184956 /nfs/dbraw/zinc/18/49/56/946184956.db2.gz SVFYECHXQPILDZ-VGOFMYFVSA-N -1 3 375.392 3.588 20 50 GHGDHM CC(C)(C)[C@H]1CCc2sc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2C1 ZINC001573826004 949894657 /nfs/dbraw/zinc/89/46/57/949894657.db2.gz DTIUXSPLOOFRPO-AWEZNQCLSA-N -1 3 396.520 3.836 20 50 GHGDHM CC[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000825039134 607350226 /nfs/dbraw/zinc/35/02/26/607350226.db2.gz MTEBHZFNZHKRHD-HNNXBMFYSA-N -1 3 390.369 3.522 20 50 GHGDHM Cc1cc2occ(CC(=O)NNc3ccc(-c4nn[n-]n4)cc3)c2cc1C(C)C ZINC000826273110 607351271 /nfs/dbraw/zinc/35/12/71/607351271.db2.gz PYWZUCZCTBYZOY-UHFFFAOYSA-N -1 3 390.447 3.731 20 50 GHGDHM Cc1ccc(Nc2ccccc2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826291895 607352778 /nfs/dbraw/zinc/35/27/78/607352778.db2.gz ZZQSPUXLFDCYLB-UHFFFAOYSA-N -1 3 385.431 3.676 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000826378996 608229791 /nfs/dbraw/zinc/22/97/91/608229791.db2.gz GTOSFUGDKHAFGK-GHXNOFRVSA-N -1 3 397.192 3.602 20 50 GHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000826378996 608229792 /nfs/dbraw/zinc/22/97/92/608229792.db2.gz GTOSFUGDKHAFGK-GHXNOFRVSA-N -1 3 397.192 3.602 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1SC(F)(F)F ZINC000826448396 608807786 /nfs/dbraw/zinc/80/77/86/608807786.db2.gz UEQVZTPCIGSMPT-UHFFFAOYSA-N -1 3 395.370 3.627 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1SC(F)(F)F ZINC000826448396 608807790 /nfs/dbraw/zinc/80/77/90/608807790.db2.gz UEQVZTPCIGSMPT-UHFFFAOYSA-N -1 3 395.370 3.627 20 50 GHGDHM C[C@H](CC1CCCC1)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820233884 945392280 /nfs/dbraw/zinc/39/22/80/945392280.db2.gz MFUCGMJHEKTPLL-SNVBAGLBSA-N -1 3 382.390 3.545 20 50 GHGDHM C[C@H](CC1CCCC1)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820233884 945392291 /nfs/dbraw/zinc/39/22/91/945392291.db2.gz MFUCGMJHEKTPLL-SNVBAGLBSA-N -1 3 382.390 3.545 20 50 GHGDHM N#CC(=Cc1ccc(C#N)s1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822796742 946187765 /nfs/dbraw/zinc/18/77/65/946187765.db2.gz XFXSSOSLGKOHKX-QPEQYQDCSA-N -1 3 387.453 3.988 20 50 GHGDHM N#CC(=Cc1ccc(C#N)s1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822796742 946187773 /nfs/dbraw/zinc/18/77/73/946187773.db2.gz XFXSSOSLGKOHKX-QPEQYQDCSA-N -1 3 387.453 3.988 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000826446975 607352270 /nfs/dbraw/zinc/35/22/70/607352270.db2.gz HWYULPNFCLXRNN-UHFFFAOYSA-N -1 3 390.378 3.555 20 50 GHGDHM C=CCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000823932427 608213344 /nfs/dbraw/zinc/21/33/44/608213344.db2.gz XUXSZODLOHNWCG-SXGWCWSVSA-N -1 3 391.818 3.875 20 50 GHGDHM C=CCOc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000823932427 608213345 /nfs/dbraw/zinc/21/33/45/608213345.db2.gz XUXSZODLOHNWCG-SXGWCWSVSA-N -1 3 391.818 3.875 20 50 GHGDHM N#CC(=Cc1ccc(-c2ccncc2)cc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379254 608215490 /nfs/dbraw/zinc/21/54/90/608215490.db2.gz NGPBMHQRALYBEG-GRSHGNNSSA-N -1 3 396.385 3.858 20 50 GHGDHM N#CC(=Cc1ccc(-c2ccncc2)cc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379254 608215491 /nfs/dbraw/zinc/21/54/91/608215491.db2.gz NGPBMHQRALYBEG-GRSHGNNSSA-N -1 3 396.385 3.858 20 50 GHGDHM O=C(NNc1ccccc1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826449143 608812841 /nfs/dbraw/zinc/81/28/41/608812841.db2.gz DEVPTMAWJDOULE-UHFFFAOYSA-N -1 3 387.403 3.808 20 50 GHGDHM O=C(NNc1ccccc1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826449143 608812843 /nfs/dbraw/zinc/81/28/43/608812843.db2.gz DEVPTMAWJDOULE-UHFFFAOYSA-N -1 3 387.403 3.808 20 50 GHGDHM O=C(NNc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826449492 608816020 /nfs/dbraw/zinc/81/60/20/608816020.db2.gz VSMFUKYICNFREN-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM O=C(NNc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826449492 608816021 /nfs/dbraw/zinc/81/60/21/608816021.db2.gz VSMFUKYICNFREN-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM Cc1cc2ccc(Cl)cc2[nH]c1=NNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826272911 609448022 /nfs/dbraw/zinc/44/80/22/609448022.db2.gz HBPIDDJCSDROOX-UHFFFAOYSA-N -1 3 394.826 3.525 20 50 GHGDHM Cc1cc2ccc(Cl)cc2[nH]c1=NNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826272911 609448024 /nfs/dbraw/zinc/44/80/24/609448024.db2.gz HBPIDDJCSDROOX-UHFFFAOYSA-N -1 3 394.826 3.525 20 50 GHGDHM CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821477089 945705425 /nfs/dbraw/zinc/70/54/25/945705425.db2.gz XWJWTLPMJVZERW-UHFFFAOYSA-N -1 3 378.461 3.817 20 50 GHGDHM CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821477089 945705430 /nfs/dbraw/zinc/70/54/30/945705430.db2.gz XWJWTLPMJVZERW-UHFFFAOYSA-N -1 3 378.461 3.817 20 50 GHGDHM CC(C)Cc1ccc([C@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)N(C)C)cc1 ZINC001591484883 992614311 /nfs/dbraw/zinc/61/43/11/992614311.db2.gz WBZZYJPUFZQCDC-FQEVSTJZSA-N -1 3 398.507 3.512 20 50 GHGDHM O=C(NNc1cccc(F)c1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826449132 609391330 /nfs/dbraw/zinc/39/13/30/609391330.db2.gz CQZBHEGHEQRYIL-UHFFFAOYSA-N -1 3 390.378 3.555 20 50 GHGDHM O=C(NNc1cccc(F)c1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826449132 609391332 /nfs/dbraw/zinc/39/13/32/609391332.db2.gz CQZBHEGHEQRYIL-UHFFFAOYSA-N -1 3 390.378 3.555 20 50 GHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821492279 945707649 /nfs/dbraw/zinc/70/76/49/945707649.db2.gz KBUOUOVGMJALJK-UVTDQMKNSA-N -1 3 378.461 3.599 20 50 GHGDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CCCC[C@@H]1CCSS1 ZINC000821741936 945852876 /nfs/dbraw/zinc/85/28/76/945852876.db2.gz VIVUJFGCVOMKJZ-CQSZACIVSA-N -1 3 394.522 3.633 20 50 GHGDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCCC[C@@H]1CCSS1 ZINC000821741936 945852889 /nfs/dbraw/zinc/85/28/89/945852889.db2.gz VIVUJFGCVOMKJZ-CQSZACIVSA-N -1 3 394.522 3.633 20 50 GHGDHM Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822035526 945956913 /nfs/dbraw/zinc/95/69/13/945956913.db2.gz WGRKHBCCMLCKFV-NTUHNPAUSA-N -1 3 382.786 3.513 20 50 GHGDHM Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822035526 945956924 /nfs/dbraw/zinc/95/69/24/945956924.db2.gz WGRKHBCCMLCKFV-NTUHNPAUSA-N -1 3 382.786 3.513 20 50 GHGDHM Cc1ccc(-c2ccsc2C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826273795 607335695 /nfs/dbraw/zinc/33/56/95/607335695.db2.gz URZQZQQJNPDIEV-UHFFFAOYSA-N -1 3 376.445 3.661 20 50 GHGDHM Cc1ccc(-c2ccsc2C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826273795 607335696 /nfs/dbraw/zinc/33/56/96/607335696.db2.gz URZQZQQJNPDIEV-UHFFFAOYSA-N -1 3 376.445 3.661 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1Br ZINC000826379435 608229851 /nfs/dbraw/zinc/22/98/51/608229851.db2.gz RMIBXWXIHZFDTB-XFFZJAGNSA-N -1 3 397.192 3.602 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1Br ZINC000826379435 608229852 /nfs/dbraw/zinc/22/98/52/608229852.db2.gz RMIBXWXIHZFDTB-XFFZJAGNSA-N -1 3 397.192 3.602 20 50 GHGDHM Cc1ccc(NNC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826291732 609405072 /nfs/dbraw/zinc/40/50/72/609405072.db2.gz TVMQPSNDMIETSO-UHFFFAOYSA-N -1 3 386.415 3.724 20 50 GHGDHM Cc1ccc(NNC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826291732 609405073 /nfs/dbraw/zinc/40/50/73/609405073.db2.gz TVMQPSNDMIETSO-UHFFFAOYSA-N -1 3 386.415 3.724 20 50 GHGDHM Cc1cc2ccc(Cl)cc2[nH]c1=NNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826273182 609448052 /nfs/dbraw/zinc/44/80/52/609448052.db2.gz SNBPCALLVFYBIL-UHFFFAOYSA-N -1 3 394.826 3.525 20 50 GHGDHM Cc1cc2ccc(Cl)cc2[nH]c1=NNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826273182 609448054 /nfs/dbraw/zinc/44/80/54/609448054.db2.gz SNBPCALLVFYBIL-UHFFFAOYSA-N -1 3 394.826 3.525 20 50 GHGDHM N#CC(=Cc1cnc2ccccn12)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737672518 945110544 /nfs/dbraw/zinc/11/05/44/945110544.db2.gz OMJJUHGDCLEAOD-OQLLNIDSSA-N -1 3 396.439 3.702 20 50 GHGDHM N#CC(=Cc1cnc2ccccn12)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737672518 945110548 /nfs/dbraw/zinc/11/05/48/945110548.db2.gz OMJJUHGDCLEAOD-OQLLNIDSSA-N -1 3 396.439 3.702 20 50 GHGDHM CCc1cc(SC#N)cc(CC)c1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000821476090 945705524 /nfs/dbraw/zinc/70/55/24/945705524.db2.gz GWTTXDMIEURZFS-UHFFFAOYSA-N -1 3 384.490 3.878 20 50 GHGDHM CCc1cc(SC#N)cc(CC)c1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000821476090 945705532 /nfs/dbraw/zinc/70/55/32/945705532.db2.gz GWTTXDMIEURZFS-UHFFFAOYSA-N -1 3 384.490 3.878 20 50 GHGDHM C[C@@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000824385483 607350131 /nfs/dbraw/zinc/35/01/31/607350131.db2.gz VDYHMWCLTQIQCD-NSHDSACASA-N -1 3 390.369 3.522 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc(-c2ccncc2)cs1 ZINC000826378890 607916861 /nfs/dbraw/zinc/91/68/61/607916861.db2.gz CXRSETPYWVXVLO-NTUHNPAUSA-N -1 3 375.392 3.588 20 50 GHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc(-c2ccncc2)cs1 ZINC000826378890 607916862 /nfs/dbraw/zinc/91/68/62/607916862.db2.gz CXRSETPYWVXVLO-NTUHNPAUSA-N -1 3 375.392 3.588 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379104 608288457 /nfs/dbraw/zinc/28/84/57/608288457.db2.gz JCTCQVFCFKRWQO-OQFOIZHKSA-N -1 3 393.325 3.876 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379104 608288459 /nfs/dbraw/zinc/28/84/59/608288459.db2.gz JCTCQVFCFKRWQO-OQFOIZHKSA-N -1 3 393.325 3.876 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379105 608288681 /nfs/dbraw/zinc/28/86/81/608288681.db2.gz JCTCQVFCFKRWQO-YCRREMRBSA-N -1 3 393.325 3.876 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379105 608288684 /nfs/dbraw/zinc/28/86/84/608288684.db2.gz JCTCQVFCFKRWQO-YCRREMRBSA-N -1 3 393.325 3.876 20 50 GHGDHM C[C@H](CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820225552 945389117 /nfs/dbraw/zinc/38/91/17/945389117.db2.gz KXBGMWCIVNNRHC-LLVKDONJSA-N -1 3 390.369 3.522 20 50 GHGDHM C[C@H](CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820225552 945389122 /nfs/dbraw/zinc/38/91/22/945389122.db2.gz KXBGMWCIVNNRHC-LLVKDONJSA-N -1 3 390.369 3.522 20 50 GHGDHM C[C@@H]1C[C@H]1[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820668804 945519944 /nfs/dbraw/zinc/51/99/44/945519944.db2.gz WVAOXTAOIZNLSN-LQAWEQHXSA-N -1 3 397.870 3.544 20 50 GHGDHM C[C@@H]1C[C@H]1[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820668804 945519949 /nfs/dbraw/zinc/51/99/49/945519949.db2.gz WVAOXTAOIZNLSN-LQAWEQHXSA-N -1 3 397.870 3.544 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(Br)s1 ZINC000822796215 946183186 /nfs/dbraw/zinc/18/31/86/946183186.db2.gz MYYZSGXKDUPSJP-CLTKARDFSA-N -1 3 392.263 3.542 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(Br)s1 ZINC000822796215 946183198 /nfs/dbraw/zinc/18/31/98/946183198.db2.gz MYYZSGXKDUPSJP-CLTKARDFSA-N -1 3 392.263 3.542 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000822796706 946187371 /nfs/dbraw/zinc/18/73/71/946187371.db2.gz WODYARMVZNNFMK-NTUHNPAUSA-N -1 3 387.453 3.988 20 50 GHGDHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(OCCCCl)cc2)C1 ZINC001331934617 961418696 /nfs/dbraw/zinc/41/86/96/961418696.db2.gz STXHCNPFQRHEEC-KGLIPLIRSA-N -1 3 379.806 3.779 20 50 GHGDHM N#CC(=Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379625 608213610 /nfs/dbraw/zinc/21/36/10/608213610.db2.gz XFRAJTSVPFAJLQ-OVCLIPMQSA-N -1 3 399.332 3.598 20 50 GHGDHM N#CC(=Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379625 608213611 /nfs/dbraw/zinc/21/36/11/608213611.db2.gz XFRAJTSVPFAJLQ-OVCLIPMQSA-N -1 3 399.332 3.598 20 50 GHGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379337 608288893 /nfs/dbraw/zinc/28/88/93/608288893.db2.gz PBKBKNOLNLBFCM-NTUHNPAUSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000826379337 608288894 /nfs/dbraw/zinc/28/88/94/608288894.db2.gz PBKBKNOLNLBFCM-NTUHNPAUSA-N -1 3 387.296 3.814 20 50 GHGDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCC[C@@H]1CCSS1 ZINC000826171621 608347078 /nfs/dbraw/zinc/34/70/78/608347078.db2.gz SMWYXICJRBQXPI-CQSZACIVSA-N -1 3 394.522 3.633 20 50 GHGDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCC[C@@H]1CCSS1 ZINC000826171621 608347080 /nfs/dbraw/zinc/34/70/80/608347080.db2.gz SMWYXICJRBQXPI-CQSZACIVSA-N -1 3 394.522 3.633 20 50 GHGDHM O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826449484 608819038 /nfs/dbraw/zinc/81/90/38/608819038.db2.gz VKSJJCJJGQKEJV-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826449484 608819040 /nfs/dbraw/zinc/81/90/40/608819040.db2.gz VKSJJCJJGQKEJV-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM N#CC(=Cc1ccc(SC(F)F)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379396 609369689 /nfs/dbraw/zinc/36/96/89/609369689.db2.gz QPXLEVLADPKMGS-RIYZIHGNSA-N -1 3 383.383 3.971 20 50 GHGDHM N#CC(=Cc1ccc(SC(F)F)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379396 609369692 /nfs/dbraw/zinc/36/96/92/609369692.db2.gz QPXLEVLADPKMGS-RIYZIHGNSA-N -1 3 383.383 3.971 20 50 GHGDHM Cc1ccccc1-c1cccc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737416573 945063094 /nfs/dbraw/zinc/06/30/94/945063094.db2.gz CMLIIRBZECUJNG-UHFFFAOYSA-N -1 3 382.427 3.606 20 50 GHGDHM Cc1ccccc1-c1cccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737416573 945063101 /nfs/dbraw/zinc/06/31/01/945063101.db2.gz CMLIIRBZECUJNG-UHFFFAOYSA-N -1 3 382.427 3.606 20 50 GHGDHM C[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820375159 945440983 /nfs/dbraw/zinc/44/09/83/945440983.db2.gz ZAHLOROHGNRYPO-VIFPVBQESA-N -1 3 392.250 3.561 20 50 GHGDHM C[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820375159 945440988 /nfs/dbraw/zinc/44/09/88/945440988.db2.gz ZAHLOROHGNRYPO-VIFPVBQESA-N -1 3 392.250 3.561 20 50 GHGDHM Cc1cc(Cl)ccc1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822202212 945987878 /nfs/dbraw/zinc/98/78/78/945987878.db2.gz PTLXPYNVWNBWHQ-UHFFFAOYSA-N -1 3 396.760 3.604 20 50 GHGDHM Cc1cc(Cl)ccc1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822202212 945987883 /nfs/dbraw/zinc/98/78/83/945987883.db2.gz PTLXPYNVWNBWHQ-UHFFFAOYSA-N -1 3 396.760 3.604 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000822795848 946177416 /nfs/dbraw/zinc/17/74/16/946177416.db2.gz IJLLWDLWPXHHQS-FPYGCLRLSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1cc(C#N)cs1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822796152 946182109 /nfs/dbraw/zinc/18/21/09/946182109.db2.gz MLDJUJXEZUESCB-NSIKDUERSA-N -1 3 387.453 3.988 20 50 GHGDHM N#CC(=Cc1cc(C#N)cs1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822796152 946182118 /nfs/dbraw/zinc/18/21/18/946182118.db2.gz MLDJUJXEZUESCB-NSIKDUERSA-N -1 3 387.453 3.988 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(Br)s1 ZINC000822796216 946183581 /nfs/dbraw/zinc/18/35/81/946183581.db2.gz MYYZSGXKDUPSJP-XVNBXDOJSA-N -1 3 392.263 3.542 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(Br)s1 ZINC000822796216 946183588 /nfs/dbraw/zinc/18/35/88/946183588.db2.gz MYYZSGXKDUPSJP-XVNBXDOJSA-N -1 3 392.263 3.542 20 50 GHGDHM O=C(CCCc1ccc(Cl)c(Cl)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406881 607334347 /nfs/dbraw/zinc/33/43/47/607334347.db2.gz RFWPESJQLKQZAQ-UHFFFAOYSA-N -1 3 391.262 3.640 20 50 GHGDHM O=C(CCCc1ccc(Cl)c(Cl)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406881 607334349 /nfs/dbraw/zinc/33/43/49/607334349.db2.gz RFWPESJQLKQZAQ-UHFFFAOYSA-N -1 3 391.262 3.640 20 50 GHGDHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826263925 607350615 /nfs/dbraw/zinc/35/06/15/607350615.db2.gz WFFMWZLGALCFNH-UHFFFAOYSA-N -1 3 399.458 3.666 20 50 GHGDHM C[C@@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000824385631 607356438 /nfs/dbraw/zinc/35/64/38/607356438.db2.gz XYBIPPRKJSNHCU-NSHDSACASA-N -1 3 390.369 3.522 20 50 GHGDHM Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000826285696 608216382 /nfs/dbraw/zinc/21/63/82/608216382.db2.gz HNCGVONCJFCCKI-VIZOYTHASA-N -1 3 394.232 3.728 20 50 GHGDHM Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000826285696 608216384 /nfs/dbraw/zinc/21/63/84/608216384.db2.gz HNCGVONCJFCCKI-VIZOYTHASA-N -1 3 394.232 3.728 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000737077208 944948919 /nfs/dbraw/zinc/94/89/19/944948919.db2.gz SYTAYZUBQHJXBK-WJDWOHSUSA-N -1 3 396.410 3.574 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000737077208 944948932 /nfs/dbraw/zinc/94/89/32/944948932.db2.gz SYTAYZUBQHJXBK-WJDWOHSUSA-N -1 3 396.410 3.574 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822796498 946184898 /nfs/dbraw/zinc/18/48/98/946184898.db2.gz SWBSLYYYAKXNGF-NTUHNPAUSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822796498 946184903 /nfs/dbraw/zinc/18/49/03/946184903.db2.gz SWBSLYYYAKXNGF-NTUHNPAUSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1cccc(Cl)c1Cl ZINC000822796655 946188329 /nfs/dbraw/zinc/18/83/29/946188329.db2.gz UKBRBPAUIVCDNT-VURMDHGXSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000822796794 946190082 /nfs/dbraw/zinc/19/00/82/946190082.db2.gz YZGMMCRWBGTICH-OQFOIZHKSA-N -1 3 380.820 3.853 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000822796794 946190086 /nfs/dbraw/zinc/19/00/86/946190086.db2.gz YZGMMCRWBGTICH-OQFOIZHKSA-N -1 3 380.820 3.853 20 50 GHGDHM O=C(NNc1cccc(F)c1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826449539 607340177 /nfs/dbraw/zinc/34/01/77/607340177.db2.gz XZFILJJXCPPWFG-UHFFFAOYSA-N -1 3 389.394 3.506 20 50 GHGDHM Cc1cccc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1Cl ZINC000826296442 607862030 /nfs/dbraw/zinc/86/20/30/607862030.db2.gz XHBFRSPZEVIVNE-UHFFFAOYSA-N -1 3 396.760 3.604 20 50 GHGDHM Cc1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1Cl ZINC000826296442 607862031 /nfs/dbraw/zinc/86/20/31/607862031.db2.gz XHBFRSPZEVIVNE-UHFFFAOYSA-N -1 3 396.760 3.604 20 50 GHGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(C)n1C1CCCCC1 ZINC000826259991 607343060 /nfs/dbraw/zinc/34/30/60/607343060.db2.gz QERINADPZZGBLQ-UHFFFAOYSA-N -1 3 379.468 3.547 20 50 GHGDHM CSc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1Cl ZINC000826229714 607354950 /nfs/dbraw/zinc/35/49/50/607354950.db2.gz OGEIUNPYVQYVJQ-UHFFFAOYSA-N -1 3 395.275 3.652 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC2CCCCC2)cc1 ZINC000826447241 607357021 /nfs/dbraw/zinc/35/70/21/607357021.db2.gz VVERZLQLWCRDMX-UHFFFAOYSA-N -1 3 392.463 3.583 20 50 GHGDHM N#CC(=Cc1ccccc1C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379450 607884776 /nfs/dbraw/zinc/88/47/76/607884776.db2.gz RZKXHHOECFFLJY-RQZCQDPDSA-N -1 3 381.424 3.926 20 50 GHGDHM N#CC(=Cc1ccccc1C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826379450 607884777 /nfs/dbraw/zinc/88/47/77/607884777.db2.gz RZKXHHOECFFLJY-RQZCQDPDSA-N -1 3 381.424 3.926 20 50 GHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000826266365 608215069 /nfs/dbraw/zinc/21/50/69/608215069.db2.gz MNVTYJPMGNSGOI-NVNXTCNLSA-N -1 3 394.232 3.728 20 50 GHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000826266365 608215070 /nfs/dbraw/zinc/21/50/70/608215070.db2.gz MNVTYJPMGNSGOI-NVNXTCNLSA-N -1 3 394.232 3.728 20 50 GHGDHM N#CC(=Cc1ccc(F)c(Br)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378900 608215633 /nfs/dbraw/zinc/21/56/33/608215633.db2.gz DBEIPVFALOGDED-AWNIVKPZSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1ccc(F)c(Br)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378900 608215634 /nfs/dbraw/zinc/21/56/34/608215634.db2.gz DBEIPVFALOGDED-AWNIVKPZSA-N -1 3 398.195 3.558 20 50 GHGDHM Cc1ccccc1[C@H](CC(C)C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000737424161 945065575 /nfs/dbraw/zinc/06/55/75/945065575.db2.gz WCGVAJIVDFFMSA-SFHVURJKSA-N -1 3 379.468 3.589 20 50 GHGDHM Cc1ccccc1[C@H](CC(C)C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000737424161 945065587 /nfs/dbraw/zinc/06/55/87/945065587.db2.gz WCGVAJIVDFFMSA-SFHVURJKSA-N -1 3 379.468 3.589 20 50 GHGDHM CC(C)Sc1ccc([C@@H](C)NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735921191 944714998 /nfs/dbraw/zinc/71/49/98/944714998.db2.gz OBLQJGWULDJXPM-CYBMUJFWSA-N -1 3 397.508 3.755 20 50 GHGDHM CC(C)Sc1ccc([C@@H](C)NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735921191 944715004 /nfs/dbraw/zinc/71/50/04/944715004.db2.gz OBLQJGWULDJXPM-CYBMUJFWSA-N -1 3 397.508 3.755 20 50 GHGDHM Cc1ccc(-c2ccc(C=NNC(=O)c3cccc(-c4nnn[n-]4)c3)s2)cc1 ZINC000737287451 945029842 /nfs/dbraw/zinc/02/98/42/945029842.db2.gz HDQDPIQJDBIMPZ-UHFFFAOYSA-N -1 3 388.456 3.668 20 50 GHGDHM Cc1ccc(-c2ccc(C=NNC(=O)c3cccc(-c4nn[n-]n4)c3)s2)cc1 ZINC000737287451 945029849 /nfs/dbraw/zinc/02/98/49/945029849.db2.gz HDQDPIQJDBIMPZ-UHFFFAOYSA-N -1 3 388.456 3.668 20 50 GHGDHM C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321169 945413983 /nfs/dbraw/zinc/41/39/83/945413983.db2.gz BWTOMDQZBAEFTA-DOMZBBRYSA-N -1 3 377.539 3.758 20 50 GHGDHM C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321169 945413989 /nfs/dbraw/zinc/41/39/89/945413989.db2.gz BWTOMDQZBAEFTA-DOMZBBRYSA-N -1 3 377.539 3.758 20 50 GHGDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820881653 945582586 /nfs/dbraw/zinc/58/25/86/945582586.db2.gz CKMIAICFVZNXLC-HLVNSREUSA-N -1 3 378.461 3.987 20 50 GHGDHM CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821476324 945704220 /nfs/dbraw/zinc/70/42/20/945704220.db2.gz MHUHKTPKTYFVMV-UHFFFAOYSA-N -1 3 378.461 3.817 20 50 GHGDHM CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821476324 945704227 /nfs/dbraw/zinc/70/42/27/945704227.db2.gz MHUHKTPKTYFVMV-UHFFFAOYSA-N -1 3 378.461 3.817 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822796021 946179114 /nfs/dbraw/zinc/17/91/14/946179114.db2.gz KJMVNWUAQYDDBU-BJMVGYQFSA-N -1 3 375.335 3.737 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822796021 946179122 /nfs/dbraw/zinc/17/91/22/946179122.db2.gz KJMVNWUAQYDDBU-BJMVGYQFSA-N -1 3 375.335 3.737 20 50 GHGDHM O=C(CC(c1ccccc1)c1ccccc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404118 607350591 /nfs/dbraw/zinc/35/05/91/607350591.db2.gz OPZYLSPBXWJMEP-UHFFFAOYSA-N -1 3 384.443 3.532 20 50 GHGDHM O=C(CCn1c2ccccc2c2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409812 607356749 /nfs/dbraw/zinc/35/67/49/607356749.db2.gz QDHBFBJTWRFDCC-UHFFFAOYSA-N -1 3 397.442 3.508 20 50 GHGDHM N#CC(=Cc1cc(F)cc(C(F)(F)F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379571 608215805 /nfs/dbraw/zinc/21/58/05/608215805.db2.gz VXGOYKWNSHINNO-YIXHJXPBSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1cc(F)cc(C(F)(F)F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379571 608215806 /nfs/dbraw/zinc/21/58/06/608215806.db2.gz VXGOYKWNSHINNO-YIXHJXPBSA-N -1 3 387.296 3.814 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000826448440 608805509 /nfs/dbraw/zinc/80/55/09/608805509.db2.gz VOHMRYJTTVVCGM-UHFFFAOYSA-N -1 3 383.415 3.587 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000826448440 608805511 /nfs/dbraw/zinc/80/55/11/608805511.db2.gz VOHMRYJTTVVCGM-UHFFFAOYSA-N -1 3 383.415 3.587 20 50 GHGDHM N#CC(=Cc1ccc(SC(F)F)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379397 609369144 /nfs/dbraw/zinc/36/91/44/609369144.db2.gz QPXLEVLADPKMGS-ZSOIEALJSA-N -1 3 383.383 3.971 20 50 GHGDHM N#CC(=Cc1ccc(SC(F)F)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379397 609369146 /nfs/dbraw/zinc/36/91/46/609369146.db2.gz QPXLEVLADPKMGS-ZSOIEALJSA-N -1 3 383.383 3.971 20 50 GHGDHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000737424159 945063885 /nfs/dbraw/zinc/06/38/85/945063885.db2.gz WCGVAJIVDFFMSA-GOSISDBHSA-N -1 3 379.468 3.589 20 50 GHGDHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000737424159 945063895 /nfs/dbraw/zinc/06/38/95/945063895.db2.gz WCGVAJIVDFFMSA-GOSISDBHSA-N -1 3 379.468 3.589 20 50 GHGDHM O=C(NN=Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-c2ccccc2)cc1 ZINC000738129226 945198605 /nfs/dbraw/zinc/19/86/05/945198605.db2.gz RCKDYZGYVLEELU-UHFFFAOYSA-N -1 3 383.415 3.689 20 50 GHGDHM O=C(NN=Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-c2ccccc2)cc1 ZINC000738129226 945198612 /nfs/dbraw/zinc/19/86/12/945198612.db2.gz RCKDYZGYVLEELU-UHFFFAOYSA-N -1 3 383.415 3.689 20 50 GHGDHM CC(C)CC(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735759332 944698336 /nfs/dbraw/zinc/69/83/36/944698336.db2.gz SCLFNCUYXMWSJC-WQRHYEAKSA-N -1 3 387.443 3.968 20 50 GHGDHM CC(C)CC(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735759332 944698344 /nfs/dbraw/zinc/69/83/44/944698344.db2.gz SCLFNCUYXMWSJC-WQRHYEAKSA-N -1 3 387.443 3.968 20 50 GHGDHM C[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000736119660 944743135 /nfs/dbraw/zinc/74/31/35/944743135.db2.gz TUULMHJJGHDTGQ-VIFPVBQESA-N -1 3 392.250 3.561 20 50 GHGDHM C[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000736119660 944743140 /nfs/dbraw/zinc/74/31/40/944743140.db2.gz TUULMHJJGHDTGQ-VIFPVBQESA-N -1 3 392.250 3.561 20 50 GHGDHM COc1ccc(C=C(C#N)c2nc3ccccc3n2C(F)F)cc1-c1nnn[n-]1 ZINC000737077501 944948242 /nfs/dbraw/zinc/94/82/42/944948242.db2.gz VBIULNQSKJCCIC-XYOKQWHBSA-N -1 3 393.357 3.684 20 50 GHGDHM COc1ccc(C=C(C#N)c2nc3ccccc3n2C(F)F)cc1-c1nn[n-]n1 ZINC000737077501 944948248 /nfs/dbraw/zinc/94/82/48/944948248.db2.gz VBIULNQSKJCCIC-XYOKQWHBSA-N -1 3 393.357 3.684 20 50 GHGDHM C[C@@H](CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820225553 945390316 /nfs/dbraw/zinc/39/03/16/945390316.db2.gz KXBGMWCIVNNRHC-NSHDSACASA-N -1 3 390.369 3.522 20 50 GHGDHM C[C@@H](CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000820225553 945390321 /nfs/dbraw/zinc/39/03/21/945390321.db2.gz KXBGMWCIVNNRHC-NSHDSACASA-N -1 3 390.369 3.522 20 50 GHGDHM C[C@@H]1C[C@H]1[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820668806 945519964 /nfs/dbraw/zinc/51/99/64/945519964.db2.gz WVAOXTAOIZNLSN-SSKCKEOISA-N -1 3 397.870 3.544 20 50 GHGDHM C[C@@H]1C[C@H]1[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820668806 945519966 /nfs/dbraw/zinc/51/99/66/945519966.db2.gz WVAOXTAOIZNLSN-SSKCKEOISA-N -1 3 397.870 3.544 20 50 GHGDHM CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821477099 945704315 /nfs/dbraw/zinc/70/43/15/945704315.db2.gz YITDVDWPDOCFKT-UHFFFAOYSA-N -1 3 384.490 3.878 20 50 GHGDHM CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821477099 945704325 /nfs/dbraw/zinc/70/43/25/945704325.db2.gz YITDVDWPDOCFKT-UHFFFAOYSA-N -1 3 384.490 3.878 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000822795842 946177062 /nfs/dbraw/zinc/17/70/62/946177062.db2.gz IFDGZPOJWNCMDI-JXMROGBWSA-N -1 3 375.335 3.737 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000822796465 946185236 /nfs/dbraw/zinc/18/52/36/946185236.db2.gz RWWGSAKUCHQQLO-BAQGIRSFSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000822796465 946185240 /nfs/dbraw/zinc/18/52/40/946185240.db2.gz RWWGSAKUCHQQLO-BAQGIRSFSA-N -1 3 391.243 3.781 20 50 GHGDHM C[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000824385446 607337102 /nfs/dbraw/zinc/33/71/02/607337102.db2.gz UAMJIBXHNQWGQM-LLVKDONJSA-N -1 3 390.369 3.522 20 50 GHGDHM C[C@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000824385446 607337104 /nfs/dbraw/zinc/33/71/04/607337104.db2.gz UAMJIBXHNQWGQM-LLVKDONJSA-N -1 3 390.369 3.522 20 50 GHGDHM Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826237017 607915655 /nfs/dbraw/zinc/91/56/55/607915655.db2.gz LCAYTRCQKYUSTH-KPKJPENVSA-N -1 3 382.786 3.513 20 50 GHGDHM Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826237017 607915656 /nfs/dbraw/zinc/91/56/56/607915656.db2.gz LCAYTRCQKYUSTH-KPKJPENVSA-N -1 3 382.786 3.513 20 50 GHGDHM CCCCn1nc(C)c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000825302067 608214502 /nfs/dbraw/zinc/21/45/02/608214502.db2.gz VKFYSCBSOZQKKK-GDNBJRDFSA-N -1 3 395.854 3.615 20 50 GHGDHM CCCCn1nc(C)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000825302067 608214504 /nfs/dbraw/zinc/21/45/04/608214504.db2.gz VKFYSCBSOZQKKK-GDNBJRDFSA-N -1 3 395.854 3.615 20 50 GHGDHM N#CC(=Cc1ccc(F)cc1C(F)(F)F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378905 608215383 /nfs/dbraw/zinc/21/53/83/608215383.db2.gz DIZXXBCSQQSQRQ-AWNIVKPZSA-N -1 3 387.296 3.814 20 50 GHGDHM N#CC(=Cc1ccc(F)cc1C(F)(F)F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378905 608215385 /nfs/dbraw/zinc/21/53/85/608215385.db2.gz DIZXXBCSQQSQRQ-AWNIVKPZSA-N -1 3 387.296 3.814 20 50 GHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc(C)c1OC(F)F ZINC000826266277 608216562 /nfs/dbraw/zinc/21/65/62/608216562.db2.gz JKQIETOFAZQTSL-LZYBPNLTSA-N -1 3 395.369 3.875 20 50 GHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc(C)c1OC(F)F ZINC000826266277 608216564 /nfs/dbraw/zinc/21/65/64/608216564.db2.gz JKQIETOFAZQTSL-LZYBPNLTSA-N -1 3 395.369 3.875 20 50 GHGDHM N#CC(=Cc1ccccc1OC1CCCC1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379235 608217331 /nfs/dbraw/zinc/21/73/31/608217331.db2.gz MVYJLDFLHOAWNX-LDADJPATSA-N -1 3 385.427 3.978 20 50 GHGDHM N#CC(=Cc1ccccc1OC1CCCC1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379235 608217332 /nfs/dbraw/zinc/21/73/32/608217332.db2.gz MVYJLDFLHOAWNX-LDADJPATSA-N -1 3 385.427 3.978 20 50 GHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821492695 945709429 /nfs/dbraw/zinc/70/94/29/945709429.db2.gz SZIKNBPSTMILJG-ZSOIEALJSA-N -1 3 378.461 3.599 20 50 GHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821492695 945709434 /nfs/dbraw/zinc/70/94/34/945709434.db2.gz SZIKNBPSTMILJG-ZSOIEALJSA-N -1 3 378.461 3.599 20 50 GHGDHM CC1(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCN(Cc2ccccc2)CC1 ZINC001593816135 996553551 /nfs/dbraw/zinc/55/35/51/996553551.db2.gz HSNZLNCPENYYDE-UHFFFAOYSA-N -1 3 398.415 3.501 20 50 GHGDHM O=C(CCCSc1ccc(Cl)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826407061 607336363 /nfs/dbraw/zinc/33/63/63/607336363.db2.gz ZGYWSQYZLAWSKE-UHFFFAOYSA-N -1 3 388.884 3.536 20 50 GHGDHM O=C(CCCSc1ccc(Cl)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826407061 607336365 /nfs/dbraw/zinc/33/63/65/607336365.db2.gz ZGYWSQYZLAWSKE-UHFFFAOYSA-N -1 3 388.884 3.536 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000826448157 608805444 /nfs/dbraw/zinc/80/54/44/608805444.db2.gz KLOWYKHIGZJZCH-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000826448157 608805446 /nfs/dbraw/zinc/80/54/46/608805446.db2.gz KLOWYKHIGZJZCH-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825722698 608873631 /nfs/dbraw/zinc/87/36/31/608873631.db2.gz JVUBSAZVTMGAMX-YBEGLDIGSA-N -1 3 390.422 3.676 20 50 GHGDHM CCc1cccc(CC)c1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825722698 608873632 /nfs/dbraw/zinc/87/36/32/608873632.db2.gz JVUBSAZVTMGAMX-YBEGLDIGSA-N -1 3 390.422 3.676 20 50 GHGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC000738136651 945238212 /nfs/dbraw/zinc/23/82/12/945238212.db2.gz IJEKPRYEBOGCJE-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC000738136651 945238215 /nfs/dbraw/zinc/23/82/15/945238215.db2.gz IJEKPRYEBOGCJE-UHFFFAOYSA-N -1 3 397.748 3.688 20 50 GHGDHM CC(C)(C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735585439 944673067 /nfs/dbraw/zinc/67/30/67/944673067.db2.gz BQURZIDEGHMRSD-BOPFTXTBSA-N -1 3 387.443 3.968 20 50 GHGDHM CC(C)(C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735585439 944673075 /nfs/dbraw/zinc/67/30/75/944673075.db2.gz BQURZIDEGHMRSD-BOPFTXTBSA-N -1 3 387.443 3.968 20 50 GHGDHM CC(C)Sc1ccc([C@H](C)NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735921192 944714319 /nfs/dbraw/zinc/71/43/19/944714319.db2.gz OBLQJGWULDJXPM-ZDUSSCGKSA-N -1 3 397.508 3.755 20 50 GHGDHM CC(C)Sc1ccc([C@H](C)NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735921192 944714324 /nfs/dbraw/zinc/71/43/24/944714324.db2.gz OBLQJGWULDJXPM-ZDUSSCGKSA-N -1 3 397.508 3.755 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1cccc(Cl)c1Cl ZINC000822795947 946180081 /nfs/dbraw/zinc/18/00/81/946180081.db2.gz JFSDVLUKIWFJQS-YWEYNIOJSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1cccc(Cl)c1Cl ZINC000822795947 946180089 /nfs/dbraw/zinc/18/00/89/946180089.db2.gz JFSDVLUKIWFJQS-YWEYNIOJSA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000822796707 946188401 /nfs/dbraw/zinc/18/84/01/946188401.db2.gz WODYARMVZNNFMK-QPEQYQDCSA-N -1 3 387.453 3.988 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000822796795 946189790 /nfs/dbraw/zinc/18/97/90/946189790.db2.gz YZGMMCRWBGTICH-YCRREMRBSA-N -1 3 380.820 3.853 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000822796795 946189795 /nfs/dbraw/zinc/18/97/95/946189795.db2.gz YZGMMCRWBGTICH-YCRREMRBSA-N -1 3 380.820 3.853 20 50 GHGDHM O=C(NNc1cccc(F)c1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826449412 607340179 /nfs/dbraw/zinc/34/01/79/607340179.db2.gz QYBMMGKACACCMG-UHFFFAOYSA-N -1 3 390.378 3.555 20 50 GHGDHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826403932 607350755 /nfs/dbraw/zinc/35/07/55/607350755.db2.gz IZUWXSGLAHEGQU-FQEVSTJZSA-N -1 3 398.470 3.726 20 50 GHGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Sc1ccccc1 ZINC000826446958 607351077 /nfs/dbraw/zinc/35/10/77/607351077.db2.gz GZUOUOBVVHQVLJ-UHFFFAOYSA-N -1 3 388.456 3.775 20 50 GHGDHM Cc1cccc2sc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c(Cl)c21 ZINC000826305221 607352606 /nfs/dbraw/zinc/35/26/06/607352606.db2.gz OOEXWJLYEBPDJJ-UHFFFAOYSA-N -1 3 384.852 3.800 20 50 GHGDHM N#CC(=Cc1cccc(-c2ccccn2)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378844 608215542 /nfs/dbraw/zinc/21/55/42/608215542.db2.gz BOENITXOZZAJRH-XDHOZWIPSA-N -1 3 378.395 3.719 20 50 GHGDHM N#CC(=Cc1cccc(-c2ccccn2)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378844 608215543 /nfs/dbraw/zinc/21/55/43/608215543.db2.gz BOENITXOZZAJRH-XDHOZWIPSA-N -1 3 378.395 3.719 20 50 GHGDHM N#CC(=Cc1csc(-c2ccsc2)n1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379253 608215624 /nfs/dbraw/zinc/21/56/24/608215624.db2.gz NFZXCHOJRDXIFZ-VGOFMYFVSA-N -1 3 390.453 3.842 20 50 GHGDHM N#CC(=Cc1csc(-c2ccsc2)n1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379253 608215625 /nfs/dbraw/zinc/21/56/25/608215625.db2.gz NFZXCHOJRDXIFZ-VGOFMYFVSA-N -1 3 390.453 3.842 20 50 GHGDHM N#CC(=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(=O)C1CCC1 ZINC000737671700 945108696 /nfs/dbraw/zinc/10/86/96/945108696.db2.gz IJBLJGUEBQBMQC-WOJGMQOQSA-N -1 3 385.427 3.722 20 50 GHGDHM N#CC(=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C(=O)C1CCC1 ZINC000737671700 945108701 /nfs/dbraw/zinc/10/87/01/945108701.db2.gz IJBLJGUEBQBMQC-WOJGMQOQSA-N -1 3 385.427 3.722 20 50 GHGDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820881657 945582129 /nfs/dbraw/zinc/58/21/29/945582129.db2.gz CKMIAICFVZNXLC-XTCQQWIJSA-N -1 3 378.461 3.987 20 50 GHGDHM CCCCc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821077344 945630508 /nfs/dbraw/zinc/63/05/08/945630508.db2.gz BJOKPHJHLGKKNA-SDNWHVSQSA-N -1 3 378.461 3.816 20 50 GHGDHM CCCCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821077530 945631265 /nfs/dbraw/zinc/63/12/65/945631265.db2.gz KDVLQAXNGNAIRV-NTEUORMPSA-N -1 3 378.461 3.816 20 50 GHGDHM CCCCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821077530 945631273 /nfs/dbraw/zinc/63/12/73/945631273.db2.gz KDVLQAXNGNAIRV-NTEUORMPSA-N -1 3 378.461 3.816 20 50 GHGDHM Cc1cccc(C2(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CCCCC2)c1 ZINC000826296633 607351760 /nfs/dbraw/zinc/35/17/60/607351760.db2.gz DLSZTKRUVUTSNF-UHFFFAOYSA-N -1 3 376.464 3.520 20 50 GHGDHM O=C(CCCSc1ccc(Cl)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406831 607355486 /nfs/dbraw/zinc/35/54/86/607355486.db2.gz OZPAOHJDXMIRDS-UHFFFAOYSA-N -1 3 388.884 3.536 20 50 GHGDHM N#CC(=Cc1nc(-c2ccccc2)cs1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379247 608215629 /nfs/dbraw/zinc/21/56/29/608215629.db2.gz NDQYUZVKLWBYEP-MHWRWJLKSA-N -1 3 384.424 3.780 20 50 GHGDHM N#CC(=Cc1nc(-c2ccccc2)cs1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379247 608215630 /nfs/dbraw/zinc/21/56/30/608215630.db2.gz NDQYUZVKLWBYEP-MHWRWJLKSA-N -1 3 384.424 3.780 20 50 GHGDHM CC(C)(C)c1ccc(NNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824135185 609176988 /nfs/dbraw/zinc/17/69/88/609176988.db2.gz BQVZZRCWSMBMGJ-UHFFFAOYSA-N -1 3 396.520 3.541 20 50 GHGDHM CC(C)(C)c1ccc(NNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824135185 609176989 /nfs/dbraw/zinc/17/69/89/609176989.db2.gz BQVZZRCWSMBMGJ-UHFFFAOYSA-N -1 3 396.520 3.541 20 50 GHGDHM Cc1ccc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1Cl ZINC000822226255 946005179 /nfs/dbraw/zinc/00/51/79/946005179.db2.gz JTVNLICBVWVYCE-UHFFFAOYSA-N -1 3 396.760 3.604 20 50 GHGDHM Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1Cl ZINC000822226255 946005190 /nfs/dbraw/zinc/00/51/90/946005190.db2.gz JTVNLICBVWVYCE-UHFFFAOYSA-N -1 3 396.760 3.604 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000822796457 946185387 /nfs/dbraw/zinc/18/53/87/946185387.db2.gz RRJUJZGXSZEUOI-YVMONPNESA-N -1 3 391.243 3.781 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000826379187 607883681 /nfs/dbraw/zinc/88/36/81/607883681.db2.gz LDYDFFRZDYRXLK-YRNVUSSQSA-N -1 3 385.214 3.719 20 50 GHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000826379187 607883682 /nfs/dbraw/zinc/88/36/82/607883682.db2.gz LDYDFFRZDYRXLK-YRNVUSSQSA-N -1 3 385.214 3.719 20 50 GHGDHM Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826237016 607915661 /nfs/dbraw/zinc/91/56/61/607915661.db2.gz LCAYTRCQKYUSTH-GHXNOFRVSA-N -1 3 382.786 3.513 20 50 GHGDHM Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826237016 607915662 /nfs/dbraw/zinc/91/56/62/607915662.db2.gz LCAYTRCQKYUSTH-GHXNOFRVSA-N -1 3 382.786 3.513 20 50 GHGDHM N#CC(=Cc1ccc(F)cc1Br)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379042 608216902 /nfs/dbraw/zinc/21/69/02/608216902.db2.gz HVOILRQNGDMPSO-MLPAPPSSSA-N -1 3 398.195 3.558 20 50 GHGDHM N#CC(=Cc1ccc(F)cc1Br)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379042 608216904 /nfs/dbraw/zinc/21/69/04/608216904.db2.gz HVOILRQNGDMPSO-MLPAPPSSSA-N -1 3 398.195 3.558 20 50 GHGDHM CCN(C(=O)[C@@H](Br)C(C)(C)C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825362234 609268036 /nfs/dbraw/zinc/26/80/36/609268036.db2.gz KJTNPDMRPKNILR-BXUZGUMPSA-N -1 3 394.317 3.586 20 50 GHGDHM CCN(C(=O)[C@@H](Br)C(C)(C)C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825362234 609268038 /nfs/dbraw/zinc/26/80/38/609268038.db2.gz KJTNPDMRPKNILR-BXUZGUMPSA-N -1 3 394.317 3.586 20 50 GHGDHM Cc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1OC(F)F ZINC000826297376 609308849 /nfs/dbraw/zinc/30/88/49/609308849.db2.gz FMBLJSSFUXUYHB-DHDCSXOGSA-N -1 3 381.342 3.566 20 50 GHGDHM Cc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1OC(F)F ZINC000826297376 609308851 /nfs/dbraw/zinc/30/88/51/609308851.db2.gz FMBLJSSFUXUYHB-DHDCSXOGSA-N -1 3 381.342 3.566 20 50 GHGDHM CC(C)[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000735720088 944695083 /nfs/dbraw/zinc/69/50/83/944695083.db2.gz HZPUUDCBURXFFQ-INIZCTEOSA-N -1 3 385.859 3.544 20 50 GHGDHM CC(C)[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000735720088 944695085 /nfs/dbraw/zinc/69/50/85/944695085.db2.gz HZPUUDCBURXFFQ-INIZCTEOSA-N -1 3 385.859 3.544 20 50 GHGDHM Cc1ccc(-c2ccsc2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826273441 607354941 /nfs/dbraw/zinc/35/49/41/607354941.db2.gz DPSNOUMSSLSTLM-UHFFFAOYSA-N -1 3 376.445 3.661 20 50 GHGDHM CC(C)(C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCCC1 ZINC000824065151 607942671 /nfs/dbraw/zinc/94/26/71/607942671.db2.gz UEUYCKJEFJZBSH-UHFFFAOYSA-N -1 3 382.390 3.545 20 50 GHGDHM CC(C)(C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCCC1 ZINC000824065151 607942672 /nfs/dbraw/zinc/94/26/72/607942672.db2.gz UEUYCKJEFJZBSH-UHFFFAOYSA-N -1 3 382.390 3.545 20 50 GHGDHM Cc1ccc(-c2nc(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)co2)cc1 ZINC000826273861 608216730 /nfs/dbraw/zinc/21/67/30/608216730.db2.gz XJDPHUFNSPYMOM-YVLHZVERSA-N -1 3 382.383 3.620 20 50 GHGDHM Cc1ccc(-c2nc(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000826273861 608216731 /nfs/dbraw/zinc/21/67/31/608216731.db2.gz XJDPHUFNSPYMOM-YVLHZVERSA-N -1 3 382.383 3.620 20 50 GHGDHM N#CC(=Cc1ccccc1OC1CCCC1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379236 608217358 /nfs/dbraw/zinc/21/73/58/608217358.db2.gz MVYJLDFLHOAWNX-PDGQHHTCSA-N -1 3 385.427 3.978 20 50 GHGDHM N#CC(=Cc1ccccc1OC1CCCC1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379236 608217359 /nfs/dbraw/zinc/21/73/59/608217359.db2.gz MVYJLDFLHOAWNX-PDGQHHTCSA-N -1 3 385.427 3.978 20 50 GHGDHM N#CC(=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1nc(-c2ccccc2)cs1 ZINC000737671596 945108369 /nfs/dbraw/zinc/10/83/69/945108369.db2.gz HRKCBTDIUWFORC-NVNXTCNLSA-N -1 3 396.439 3.702 20 50 GHGDHM N#CC(=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1nc(-c2ccccc2)cs1 ZINC000737671596 945108373 /nfs/dbraw/zinc/10/83/73/945108373.db2.gz HRKCBTDIUWFORC-NVNXTCNLSA-N -1 3 396.439 3.702 20 50 GHGDHM O=C(NN=Cc1c2ccccc2cc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738129542 945203095 /nfs/dbraw/zinc/20/30/95/945203095.db2.gz ULEAEBSMTVZRDK-UHFFFAOYSA-N -1 3 392.422 3.937 20 50 GHGDHM O=C(NN=Cc1c2ccccc2cc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738129542 945203102 /nfs/dbraw/zinc/20/31/02/945203102.db2.gz ULEAEBSMTVZRDK-UHFFFAOYSA-N -1 3 392.422 3.937 20 50 GHGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000738136293 945233733 /nfs/dbraw/zinc/23/37/33/945233733.db2.gz DHUCRDRXYZLFAQ-KRWDZBQOSA-N -1 3 397.870 3.688 20 50 GHGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000738136293 945233744 /nfs/dbraw/zinc/23/37/44/945233744.db2.gz DHUCRDRXYZLFAQ-KRWDZBQOSA-N -1 3 397.870 3.688 20 50 GHGDHM C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321172 945413305 /nfs/dbraw/zinc/41/33/05/945413305.db2.gz BWTOMDQZBAEFTA-WFASDCNBSA-N -1 3 377.539 3.758 20 50 GHGDHM C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321172 945413311 /nfs/dbraw/zinc/41/33/11/945413311.db2.gz BWTOMDQZBAEFTA-WFASDCNBSA-N -1 3 377.539 3.758 20 50 GHGDHM Cc1cc(Cl)cc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822202249 945988408 /nfs/dbraw/zinc/98/84/08/945988408.db2.gz SEEFBKSIFLZWKP-UHFFFAOYSA-N -1 3 396.760 3.604 20 50 GHGDHM Cc1cc(Cl)cc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822202249 945988414 /nfs/dbraw/zinc/98/84/14/945988414.db2.gz SEEFBKSIFLZWKP-UHFFFAOYSA-N -1 3 396.760 3.604 20 50 GHGDHM CC(C)(C)c1ccc(CSCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573881261 950752060 /nfs/dbraw/zinc/75/20/60/950752060.db2.gz BSNGQEDHNPNREC-UHFFFAOYSA-N -1 3 396.520 3.541 20 50 GHGDHM CC(C)(C)c1ccc(CSCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573881261 950752075 /nfs/dbraw/zinc/75/20/75/950752075.db2.gz BSNGQEDHNPNREC-UHFFFAOYSA-N -1 3 396.520 3.541 20 50 GHGDHM Cc1cccc2sc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)c(Cl)c21 ZINC000826304852 607732148 /nfs/dbraw/zinc/73/21/48/607732148.db2.gz AXQMCBONBGBLBQ-UHFFFAOYSA-N -1 3 384.852 3.800 20 50 GHGDHM Cc1cccc2sc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c(Cl)c21 ZINC000826304852 607732150 /nfs/dbraw/zinc/73/21/50/607732150.db2.gz AXQMCBONBGBLBQ-UHFFFAOYSA-N -1 3 384.852 3.800 20 50 GHGDHM N#CC(=Cc1cccc(OCC(F)(F)F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378960 608217026 /nfs/dbraw/zinc/21/70/26/608217026.db2.gz FWSMUZRWCLJLQM-CHHVJCJISA-N -1 3 399.332 3.598 20 50 GHGDHM N#CC(=Cc1cccc(OCC(F)(F)F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378960 608217028 /nfs/dbraw/zinc/21/70/28/608217028.db2.gz FWSMUZRWCLJLQM-CHHVJCJISA-N -1 3 399.332 3.598 20 50 GHGDHM CC(C)[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000735720092 944694921 /nfs/dbraw/zinc/69/49/21/944694921.db2.gz HZPUUDCBURXFFQ-MRXNPFEDSA-N -1 3 385.859 3.544 20 50 GHGDHM CC(C)[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000735720092 944694925 /nfs/dbraw/zinc/69/49/25/944694925.db2.gz HZPUUDCBURXFFQ-MRXNPFEDSA-N -1 3 385.859 3.544 20 50 GHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2n1C(F)F ZINC000822796685 946187914 /nfs/dbraw/zinc/18/79/14/946187914.db2.gz VUXBLGKVDDSJAE-GHXNOFRVSA-N -1 3 381.321 3.815 20 50 GHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2n1C(F)F ZINC000822796685 946187922 /nfs/dbraw/zinc/18/79/22/946187922.db2.gz VUXBLGKVDDSJAE-GHXNOFRVSA-N -1 3 381.321 3.815 20 50 GHGDHM CC(C)(C)Cc1ccccc1C(=O)NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001573854748 950348670 /nfs/dbraw/zinc/34/86/70/950348670.db2.gz FJGWVPHMMGNTMF-UHFFFAOYSA-N -1 3 384.871 3.866 20 50 GHGDHM CC(C)(C)Cc1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001573854748 950348689 /nfs/dbraw/zinc/34/86/89/950348689.db2.gz FJGWVPHMMGNTMF-UHFFFAOYSA-N -1 3 384.871 3.866 20 50 GHGDHM CC(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000824347728 608215991 /nfs/dbraw/zinc/21/59/91/608215991.db2.gz LSAXIYFNIDWKAS-PXNMLYILSA-N -1 3 388.387 3.688 20 50 GHGDHM CC(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000824347728 608215993 /nfs/dbraw/zinc/21/59/93/608215993.db2.gz LSAXIYFNIDWKAS-PXNMLYILSA-N -1 3 388.387 3.688 20 50 GHGDHM CC[C@@H](C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736320943 944801432 /nfs/dbraw/zinc/80/14/32/944801432.db2.gz ZPZGSCDOVFFQJL-CLXYIWAZSA-N -1 3 387.443 3.968 20 50 GHGDHM CC[C@@H](C)C(=O)C(C#N)=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736320943 944801448 /nfs/dbraw/zinc/80/14/48/944801448.db2.gz ZPZGSCDOVFFQJL-CLXYIWAZSA-N -1 3 387.443 3.968 20 50 GHGDHM C[C@@H]1C[C@@H]1[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000820668807 945520086 /nfs/dbraw/zinc/52/00/86/945520086.db2.gz WVAOXTAOIZNLSN-ZTFRIQLXSA-N -1 3 397.870 3.544 20 50 GHGDHM C[C@@H]1C[C@@H]1[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000820668807 945520090 /nfs/dbraw/zinc/52/00/90/945520090.db2.gz WVAOXTAOIZNLSN-ZTFRIQLXSA-N -1 3 397.870 3.544 20 50 GHGDHM CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821475916 945705437 /nfs/dbraw/zinc/70/54/37/945705437.db2.gz CXMFSPSVIGGRPW-UHFFFAOYSA-N -1 3 392.488 3.746 20 50 GHGDHM CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821475916 945705440 /nfs/dbraw/zinc/70/54/40/945705440.db2.gz CXMFSPSVIGGRPW-UHFFFAOYSA-N -1 3 392.488 3.746 20 50 GHGDHM O=C(NN=Cc1cc(-c2nnn[n-]2)cs1)Nc1ccc(-c2ccccc2)cc1 ZINC000823273561 946383496 /nfs/dbraw/zinc/38/34/96/946383496.db2.gz QSZNXYUAMOVGDX-UHFFFAOYSA-N -1 3 389.444 3.751 20 50 GHGDHM O=C(NN=Cc1cc(-c2nn[n-]n2)cs1)Nc1ccc(-c2ccccc2)cc1 ZINC000823273561 946383510 /nfs/dbraw/zinc/38/35/10/946383510.db2.gz QSZNXYUAMOVGDX-UHFFFAOYSA-N -1 3 389.444 3.751 20 50 GHGDHM C[C@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000824385482 607350332 /nfs/dbraw/zinc/35/03/32/607350332.db2.gz VDYHMWCLTQIQCD-LLVKDONJSA-N -1 3 390.369 3.522 20 50 GHGDHM CC1(C)CCc2cc(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)ccc2O1 ZINC000824808493 608214480 /nfs/dbraw/zinc/21/44/80/608214480.db2.gz SVJBACUBJVJIIM-WQRHYEAKSA-N -1 3 385.427 3.760 20 50 GHGDHM CC1(C)CCc2cc(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)ccc2O1 ZINC000824808493 608214481 /nfs/dbraw/zinc/21/44/81/608214481.db2.gz SVJBACUBJVJIIM-WQRHYEAKSA-N -1 3 385.427 3.760 20 50 GHGDHM COc1ccc2cc(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000826213465 608214993 /nfs/dbraw/zinc/21/49/93/608214993.db2.gz XLTWEWHEIPWOFO-GRSHGNNSSA-N -1 3 381.395 3.818 20 50 GHGDHM COc1ccc2cc(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000826213465 608214996 /nfs/dbraw/zinc/21/49/96/608214996.db2.gz XLTWEWHEIPWOFO-GRSHGNNSSA-N -1 3 381.395 3.818 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc1-c1nnn[n-]1 ZINC000737075059 944947051 /nfs/dbraw/zinc/94/70/51/944947051.db2.gz ITJBDXFCBOCSQH-WJDWOHSUSA-N -1 3 387.443 3.963 20 50 GHGDHM COc1ccc(C=C(C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC000737075059 944947053 /nfs/dbraw/zinc/94/70/53/944947053.db2.gz ITJBDXFCBOCSQH-WJDWOHSUSA-N -1 3 387.443 3.963 20 50 GHGDHM CCc1sc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1C ZINC000821563875 945717050 /nfs/dbraw/zinc/71/70/50/945717050.db2.gz JTIREGJABQMMLQ-UHFFFAOYSA-N -1 3 396.398 3.575 20 50 GHGDHM CCc1sc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1C ZINC000821563875 945717059 /nfs/dbraw/zinc/71/70/59/945717059.db2.gz JTIREGJABQMMLQ-UHFFFAOYSA-N -1 3 396.398 3.575 20 50 GHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000822796487 946185886 /nfs/dbraw/zinc/18/58/86/946185886.db2.gz SQPQGWZXBKYPPU-ACAGNQJTSA-N -1 3 387.453 3.988 20 50 GHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000822796487 946185890 /nfs/dbraw/zinc/18/58/90/946185890.db2.gz SQPQGWZXBKYPPU-ACAGNQJTSA-N -1 3 387.453 3.988 20 50 GHGDHM C[C@@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000824384557 607348589 /nfs/dbraw/zinc/34/85/89/607348589.db2.gz DNZHVLJKQPRTJW-NSHDSACASA-N -1 3 390.369 3.522 20 50 GHGDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCC[C@H]1CCSS1 ZINC000826253557 607407108 /nfs/dbraw/zinc/40/71/08/607407108.db2.gz VHXODRQQLPQXDO-HNNXBMFYSA-N -1 3 378.523 3.932 20 50 GHGDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCC[C@H]1CCSS1 ZINC000826253557 607407109 /nfs/dbraw/zinc/40/71/09/607407109.db2.gz VHXODRQQLPQXDO-HNNXBMFYSA-N -1 3 378.523 3.932 20 50 GHGDHM C[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000824384321 607725141 /nfs/dbraw/zinc/72/51/41/607725141.db2.gz AEURZFVTFGANHA-LLVKDONJSA-N -1 3 390.369 3.522 20 50 GHGDHM C[C@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000824384321 607725143 /nfs/dbraw/zinc/72/51/43/607725143.db2.gz AEURZFVTFGANHA-LLVKDONJSA-N -1 3 390.369 3.522 20 50 GHGDHM