smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c(F)cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)cc1F ZINC001167651242 936390220 /nfs/dbraw/zinc/39/02/20/936390220.db2.gz KBHFXXCPXGRYIM-ARJAWSKDSA-N -1 3 358.329 3.704 20 30 FHEDHM CO[C@H](C)c1nc(C)c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)s1 ZINC000429608003 945068894 /nfs/dbraw/zinc/06/88/94/945068894.db2.gz WNMOOGNVBKOMSX-VXGBXAGGSA-N -1 3 354.435 3.834 20 30 FHEDHM CN(C(=O)c1cccs1)c1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000049457317 927074547 /nfs/dbraw/zinc/07/45/47/927074547.db2.gz KHSVDUFZWYTDKX-HNNXBMFYSA-N -1 3 361.426 3.910 20 30 FHEDHM Cc1noc(CSc2ccc(C([O-])=C(C#N)c3ccccn3)cc2)n1 ZINC000049456819 927074833 /nfs/dbraw/zinc/07/48/33/927074833.db2.gz BFZRGABRBFSOFN-HNNXBMFYSA-N -1 3 350.403 3.555 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000162659894 937230591 /nfs/dbraw/zinc/23/05/91/937230591.db2.gz WWOTYQBPWVXCID-ZUOKHONESA-N -1 3 363.461 3.551 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(C)(C)C)c1ccccn1 ZINC000891502246 932667755 /nfs/dbraw/zinc/66/77/55/932667755.db2.gz OQRUEFHVCGBGBH-UHFFFAOYSA-N -1 3 366.465 3.683 20 30 FHEDHM N#CCn1c(C(=O)Nc2cc(Br)ccc2[O-])cc2ccccc21 ZINC000610661046 933672944 /nfs/dbraw/zinc/67/29/44/933672944.db2.gz WZJYKXMCWBPXRS-UHFFFAOYSA-N -1 3 370.206 3.885 20 30 FHEDHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000610676085 933749969 /nfs/dbraw/zinc/74/99/69/933749969.db2.gz OWRLYEDSTLIGTA-UHFFFAOYSA-N -1 3 357.218 3.674 20 30 FHEDHM O=C1CCCC(=O)N1Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000588457782 933776070 /nfs/dbraw/zinc/77/60/70/933776070.db2.gz ZCZVECYKNNOHMU-UHFFFAOYSA-N -1 3 356.809 3.835 20 30 FHEDHM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000431189306 934105608 /nfs/dbraw/zinc/10/56/08/934105608.db2.gz ZOYZHORSWVQOHZ-UHFFFAOYSA-N -1 3 370.352 3.609 20 30 FHEDHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1OCCCC#N ZINC000277044505 934465326 /nfs/dbraw/zinc/46/53/26/934465326.db2.gz RHNWNRNUAPWYKA-MRXNPFEDSA-N -1 3 374.462 3.745 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(-c2ccncc2)c1 ZINC000737796410 945128516 /nfs/dbraw/zinc/12/85/16/945128516.db2.gz OFQPNIDMPISITO-TWGQIWQCSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2ccncc2)c1 ZINC000737796410 945128523 /nfs/dbraw/zinc/12/85/23/945128523.db2.gz OFQPNIDMPISITO-TWGQIWQCSA-N -1 3 353.385 3.825 20 30 FHEDHM Cc1ncc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)cc1C#N ZINC000427243088 945218576 /nfs/dbraw/zinc/21/85/76/945218576.db2.gz QXSGVLCVLNAYSH-UHFFFAOYSA-N -1 3 357.769 3.654 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819740117 945277328 /nfs/dbraw/zinc/27/73/28/945277328.db2.gz PYEWGLRUVHGIHA-OAHLLOKOSA-N -1 3 368.485 3.706 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819740117 945277336 /nfs/dbraw/zinc/27/73/36/945277336.db2.gz PYEWGLRUVHGIHA-OAHLLOKOSA-N -1 3 368.485 3.706 20 30 FHEDHM COC(=O)c1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1[O-] ZINC000179716446 939926226 /nfs/dbraw/zinc/92/62/26/939926226.db2.gz OKEQKLCBRHQYJJ-UHFFFAOYSA-N -1 3 372.380 3.970 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CCc3ccccc3C2)no1 ZINC000612952145 940356985 /nfs/dbraw/zinc/35/69/85/940356985.db2.gz WEBRSLJTKGELSC-KRWDZBQOSA-N -1 3 374.444 3.716 20 30 FHEDHM COc1cc(C(=O)/C=C\c2cn(C)nc2-c2ccccc2)c(OC)cc1[O-] ZINC000255893750 940812223 /nfs/dbraw/zinc/81/22/23/940812223.db2.gz BTSFCGCOKOJWNA-KTKRTIGZSA-N -1 3 364.401 3.706 20 30 FHEDHM Cn1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1-c1ccccc1 ZINC000659053278 941054879 /nfs/dbraw/zinc/05/48/79/941054879.db2.gz OOKAKPAMYJRWDX-QGZVFWFLSA-N -1 3 359.433 3.500 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000189362794 941157477 /nfs/dbraw/zinc/15/74/77/941157477.db2.gz HFPPMTXAJFGTAT-SJORKVTESA-N -1 3 371.525 3.907 20 30 FHEDHM N#CC1(CCCOC(=O)c2cccc3[n-]c(C(F)F)nc32)CCOCC1 ZINC000924085599 941537278 /nfs/dbraw/zinc/53/72/78/941537278.db2.gz MDBFFUNFRXYUHV-UHFFFAOYSA-N -1 3 363.364 3.758 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)CC(C)C ZINC000513561815 942018697 /nfs/dbraw/zinc/01/86/97/942018697.db2.gz AGASOCAWDWSIPH-UHFFFAOYSA-N -1 3 365.477 3.893 20 30 FHEDHM N#Cc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)c(OC(F)F)c1 ZINC000419421516 942253261 /nfs/dbraw/zinc/25/32/61/942253261.db2.gz FYTCGEJVBPHMOS-UHFFFAOYSA-N -1 3 363.389 3.966 20 30 FHEDHM N#CC(=C([O-])c1cn(Cc2ccccc2)c2ccccc12)c1ccncn1 ZINC000545446057 942536114 /nfs/dbraw/zinc/53/61/14/942536114.db2.gz VFUMEXYITPUGDF-GOSISDBHSA-N -1 3 352.397 3.970 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000501692875 942616167 /nfs/dbraw/zinc/61/61/67/942616167.db2.gz TYHRDKWLQLGJBS-HXUWFJFHSA-N -1 3 369.440 3.861 20 30 FHEDHM Cc1ccc([C@@H]2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)cc1 ZINC000378642223 942991261 /nfs/dbraw/zinc/99/12/61/942991261.db2.gz FMIFNIKDPHTLQK-GOSISDBHSA-N -1 3 363.461 3.533 20 30 FHEDHM Cn1cc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1C#N ZINC000417564296 943716646 /nfs/dbraw/zinc/71/66/46/943716646.db2.gz OQZKAKIJFLZBCE-OAHLLOKOSA-N -1 3 352.221 3.509 20 30 FHEDHM Cc1cc(C(F)(F)F)c(C#N)c(SCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000516956754 943862227 /nfs/dbraw/zinc/86/22/27/943862227.db2.gz FSKAVMASCACPDJ-UHFFFAOYSA-N -1 3 366.368 3.946 20 30 FHEDHM COc1ccc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c([O-])c1 ZINC000436609668 944459256 /nfs/dbraw/zinc/45/92/56/944459256.db2.gz SAOHZZSIBHXCGU-ZDUSSCGKSA-N -1 3 351.189 3.702 20 30 FHEDHM Cc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1[O-] ZINC000436835693 944684017 /nfs/dbraw/zinc/68/40/17/944684017.db2.gz AZPGUVRYQRAFBU-UHFFFAOYSA-N -1 3 363.417 3.536 20 30 FHEDHM Cc1ccc(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c([O-])c1 ZINC000436840779 944705952 /nfs/dbraw/zinc/70/59/52/944705952.db2.gz RLLDYOMZPDSDTB-UHFFFAOYSA-N -1 3 350.418 3.692 20 30 FHEDHM N#Cc1cc(Cl)ccc1NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436943623 944831784 /nfs/dbraw/zinc/83/17/84/944831784.db2.gz MXFNRLQBUUHJCI-UHFFFAOYSA-N -1 3 355.825 3.634 20 30 FHEDHM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000519689807 945663365 /nfs/dbraw/zinc/66/33/65/945663365.db2.gz ALIOWGFRRIMQMQ-UHFFFAOYSA-N -1 3 369.450 3.867 20 30 FHEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125325713 945719548 /nfs/dbraw/zinc/71/95/48/945719548.db2.gz RURABZITGDKCJK-JTQLQIEISA-N -1 3 350.296 3.689 20 30 FHEDHM N#C[C@H](Oc1cccc([O-])c1I)c1ccccc1 ZINC001227382183 945943508 /nfs/dbraw/zinc/94/35/08/945943508.db2.gz UOJDTWMCWCAIQE-ZDUSSCGKSA-N -1 3 351.143 3.640 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(-c2ccncc2)cc1 ZINC000822922728 946219570 /nfs/dbraw/zinc/21/95/70/946219570.db2.gz IPIPMLAABGHNNQ-WAYWQWQTSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(-c2ccncc2)cc1 ZINC000822922728 946219580 /nfs/dbraw/zinc/21/95/80/946219580.db2.gz IPIPMLAABGHNNQ-WAYWQWQTSA-N -1 3 359.414 3.886 20 30 FHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000186231466 946637860 /nfs/dbraw/zinc/63/78/60/946637860.db2.gz HWZNJZGWODFVMF-QWRGUYRKSA-N -1 3 366.792 3.611 20 30 FHEDHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824648633 946882739 /nfs/dbraw/zinc/88/27/39/946882739.db2.gz HWPJTBAHEIPHJM-AWEZNQCLSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824648633 946882751 /nfs/dbraw/zinc/88/27/51/946882751.db2.gz HWPJTBAHEIPHJM-AWEZNQCLSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@@H](Nc1cccc(C#N)n1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824663052 946891378 /nfs/dbraw/zinc/89/13/78/946891378.db2.gz VHIWNDKHCCARJD-CQSZACIVSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@@H](Nc1cccc(C#N)n1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824663052 946891391 /nfs/dbraw/zinc/89/13/91/946891391.db2.gz VHIWNDKHCCARJD-CQSZACIVSA-N -1 3 367.416 3.973 20 30 FHEDHM C=C(C)CCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573294261 946982396 /nfs/dbraw/zinc/98/23/96/946982396.db2.gz ZYHYRQIKGQDWEV-UHFFFAOYSA-N -1 3 364.409 3.747 20 30 FHEDHM C=C(C)CCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573294261 946982408 /nfs/dbraw/zinc/98/24/08/946982408.db2.gz ZYHYRQIKGQDWEV-UHFFFAOYSA-N -1 3 364.409 3.747 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C)c1ccccc1 ZINC001573317298 947294237 /nfs/dbraw/zinc/29/42/37/947294237.db2.gz NEUKAQTXJFICFW-ZDUSSCGKSA-N -1 3 351.385 3.613 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C)c1ccccc1 ZINC001573317298 947294246 /nfs/dbraw/zinc/29/42/46/947294246.db2.gz NEUKAQTXJFICFW-ZDUSSCGKSA-N -1 3 351.385 3.613 20 30 FHEDHM COc1cc(-c2nnn[n-]2)ccc1CSc1cccc(Cl)c1C#N ZINC000826173474 947536825 /nfs/dbraw/zinc/53/68/25/947536825.db2.gz FXKFDDVDCMKBNB-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1cc(-c2nn[n-]n2)ccc1CSc1cccc(Cl)c1C#N ZINC000826173474 947536837 /nfs/dbraw/zinc/53/68/37/947536837.db2.gz FXKFDDVDCMKBNB-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1cc(-c2nnn[n-]2)ccc1CSc1ccc(C#N)cc1Cl ZINC000826173846 947539832 /nfs/dbraw/zinc/53/98/32/947539832.db2.gz XHGFUILEOPJYEC-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1cc(-c2nn[n-]n2)ccc1CSc1ccc(C#N)cc1Cl ZINC000826173846 947539840 /nfs/dbraw/zinc/53/98/40/947539840.db2.gz XHGFUILEOPJYEC-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM C=CCn1ncc2ccc(NCc3c(C)cc(-c4nnn[n-]4)cc3C)cc21 ZINC001573350651 947600871 /nfs/dbraw/zinc/60/08/71/947600871.db2.gz IHBLFLGQPXTLIT-UHFFFAOYSA-N -1 3 359.437 3.631 20 30 FHEDHM C=CCn1ncc2ccc(NCc3c(C)cc(-c4nn[n-]n4)cc3C)cc21 ZINC001573350651 947600875 /nfs/dbraw/zinc/60/08/75/947600875.db2.gz IHBLFLGQPXTLIT-UHFFFAOYSA-N -1 3 359.437 3.631 20 30 FHEDHM Cc1c(Cl)cnc(N[C@@H](CCC#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826238756 947703445 /nfs/dbraw/zinc/70/34/45/947703445.db2.gz OTNAITDGVGXHKA-AWEZNQCLSA-N -1 3 353.817 3.681 20 30 FHEDHM Cc1c(Cl)cnc(N[C@@H](CCC#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826238756 947703449 /nfs/dbraw/zinc/70/34/49/947703449.db2.gz OTNAITDGVGXHKA-AWEZNQCLSA-N -1 3 353.817 3.681 20 30 FHEDHM N#Cc1ccccc1OCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826387528 948190562 /nfs/dbraw/zinc/19/05/62/948190562.db2.gz ZPWXSPCICXYCRZ-UHFFFAOYSA-N -1 3 357.826 3.563 20 30 FHEDHM N#Cc1ccccc1OCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826387528 948190565 /nfs/dbraw/zinc/19/05/65/948190565.db2.gz ZPWXSPCICXYCRZ-UHFFFAOYSA-N -1 3 357.826 3.563 20 30 FHEDHM O=C(C=Cc1ccccc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401651 948221957 /nfs/dbraw/zinc/22/19/57/948221957.db2.gz DEJZEMFXURWLKK-VURMDHGXSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccccc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401651 948221965 /nfs/dbraw/zinc/22/19/65/948221965.db2.gz DEJZEMFXURWLKK-VURMDHGXSA-N -1 3 373.185 3.664 20 30 FHEDHM N#CCCCOc1cccnc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185764924 567853336 /nfs/dbraw/zinc/85/33/36/567853336.db2.gz QFYUHAUSCFUQGQ-UHFFFAOYSA-N -1 3 351.406 3.601 20 30 FHEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000063250519 567969325 /nfs/dbraw/zinc/96/93/25/567969325.db2.gz DAFCVSOKORJEAL-UHFFFAOYSA-N -1 3 363.373 3.677 20 30 FHEDHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000604032467 568201611 /nfs/dbraw/zinc/20/16/11/568201611.db2.gz NOQXACVVVQIBDX-OCCSQVGLSA-N -1 3 360.401 3.824 20 30 FHEDHM N#Cc1c([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)n[nH]c1C1CC1 ZINC000569026836 568275357 /nfs/dbraw/zinc/27/53/57/568275357.db2.gz GFTJJNPJRXXYSB-UHFFFAOYSA-N -1 3 353.769 3.719 20 30 FHEDHM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000736533332 598824684 /nfs/dbraw/zinc/82/46/84/598824684.db2.gz ZHUSHZVNDREZBG-SDQBBNPISA-N -1 3 365.412 3.748 20 30 FHEDHM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736533332 598824685 /nfs/dbraw/zinc/82/46/85/598824685.db2.gz ZHUSHZVNDREZBG-SDQBBNPISA-N -1 3 365.412 3.748 20 30 FHEDHM C=CCCCCCN(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735408625 598888538 /nfs/dbraw/zinc/88/85/38/598888538.db2.gz PTMDZJRQUSFOBQ-UHFFFAOYSA-N -1 3 359.478 3.633 20 30 FHEDHM C=CCCCCCN(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735408625 598888539 /nfs/dbraw/zinc/88/85/39/598888539.db2.gz PTMDZJRQUSFOBQ-UHFFFAOYSA-N -1 3 359.478 3.633 20 30 FHEDHM C=CCOc1ccccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000819759219 599112306 /nfs/dbraw/zinc/11/23/06/599112306.db2.gz QEJMSHWUJBPFGN-DTQAZKPQSA-N -1 3 358.401 3.644 20 30 FHEDHM C=CCOc1ccccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000819759219 599112308 /nfs/dbraw/zinc/11/23/08/599112308.db2.gz QEJMSHWUJBPFGN-DTQAZKPQSA-N -1 3 358.401 3.644 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000737080602 599150987 /nfs/dbraw/zinc/15/09/87/599150987.db2.gz DLMXCCUWDZPTMV-SOFGYWHQSA-N -1 3 374.322 3.790 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000737080602 599150989 /nfs/dbraw/zinc/15/09/89/599150989.db2.gz DLMXCCUWDZPTMV-SOFGYWHQSA-N -1 3 374.322 3.790 20 30 FHEDHM Cc1c(C(=O)C=Cc2cccc(C)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737391770 599158205 /nfs/dbraw/zinc/15/82/05/599158205.db2.gz HQFZJZVJJNKVRH-IZZDOVSWSA-N -1 3 370.416 3.565 20 30 FHEDHM C=CC[C@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735409621 599217840 /nfs/dbraw/zinc/21/78/40/599217840.db2.gz GXAYREIMEJGBAW-ZDUSSCGKSA-N -1 3 364.409 3.745 20 30 FHEDHM C=CC[C@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735409621 599217843 /nfs/dbraw/zinc/21/78/43/599217843.db2.gz GXAYREIMEJGBAW-ZDUSSCGKSA-N -1 3 364.409 3.745 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCCC(C)(C)C ZINC000735421404 598269728 /nfs/dbraw/zinc/26/97/28/598269728.db2.gz YOZQKRKCMCFASC-UHFFFAOYSA-N -1 3 370.501 3.781 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCCC(C)(C)C ZINC000735421404 598269729 /nfs/dbraw/zinc/26/97/29/598269729.db2.gz YOZQKRKCMCFASC-UHFFFAOYSA-N -1 3 370.501 3.781 20 30 FHEDHM O=C(C=Cc1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737804672 598377471 /nfs/dbraw/zinc/37/74/71/598377471.db2.gz DIZWNLOGXIWEJC-KHPPLWFESA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737804672 598377472 /nfs/dbraw/zinc/37/74/72/598377472.db2.gz DIZWNLOGXIWEJC-KHPPLWFESA-N -1 3 359.414 3.886 20 30 FHEDHM Fc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1F ZINC000737667988 598434865 /nfs/dbraw/zinc/43/48/65/598434865.db2.gz UBGKRMYWPZYYOE-UHFFFAOYSA-N -1 3 368.269 3.610 20 30 FHEDHM Fc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1F ZINC000737667988 598434866 /nfs/dbraw/zinc/43/48/66/598434866.db2.gz UBGKRMYWPZYYOE-UHFFFAOYSA-N -1 3 368.269 3.610 20 30 FHEDHM CC[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccc(Cl)cc1 ZINC000736392782 598569256 /nfs/dbraw/zinc/56/92/56/598569256.db2.gz SCEXNYHWXCZOMR-CYBMUJFWSA-N -1 3 371.857 3.612 20 30 FHEDHM CC[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccc(Cl)cc1 ZINC000736392782 598569258 /nfs/dbraw/zinc/56/92/58/598569258.db2.gz SCEXNYHWXCZOMR-CYBMUJFWSA-N -1 3 371.857 3.612 20 30 FHEDHM FC(F)Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737638114 598582109 /nfs/dbraw/zinc/58/21/09/598582109.db2.gz DFBGCRKGOPTOHS-UHFFFAOYSA-N -1 3 364.743 3.568 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000822927843 607368091 /nfs/dbraw/zinc/36/80/91/607368091.db2.gz BLYKKZBQOAYEIB-VURMDHGXSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000822927843 607368093 /nfs/dbraw/zinc/36/80/93/607368093.db2.gz BLYKKZBQOAYEIB-VURMDHGXSA-N -1 3 362.286 3.921 20 30 FHEDHM C[C@H](SCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000736190510 599325612 /nfs/dbraw/zinc/32/56/12/599325612.db2.gz SQKLOFBRYASJIE-ZDUSSCGKSA-N -1 3 351.435 3.612 20 30 FHEDHM C[C@H](SCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000736190510 599325615 /nfs/dbraw/zinc/32/56/15/599325615.db2.gz SQKLOFBRYASJIE-ZDUSSCGKSA-N -1 3 351.435 3.612 20 30 FHEDHM CC[C@H](C#N)Oc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000736308837 599438426 /nfs/dbraw/zinc/43/84/26/599438426.db2.gz INKBPBDPZIXKKA-CQSZACIVSA-N -1 3 368.828 3.813 20 30 FHEDHM CC[C@H](C#N)Oc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000736308837 599438431 /nfs/dbraw/zinc/43/84/31/599438431.db2.gz INKBPBDPZIXKKA-CQSZACIVSA-N -1 3 368.828 3.813 20 30 FHEDHM N#Cc1ccccc1CSCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822842682 599466210 /nfs/dbraw/zinc/46/62/10/599466210.db2.gz TZTULGMVJGAPKP-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM N#Cc1ccccc1CSCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822842682 599466212 /nfs/dbraw/zinc/46/62/12/599466212.db2.gz TZTULGMVJGAPKP-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1C(F)(F)F ZINC000822921941 607455157 /nfs/dbraw/zinc/45/51/57/607455157.db2.gz ASEMVQQUMQXTIX-BQYQJAHWSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000822921941 607455160 /nfs/dbraw/zinc/45/51/60/607455160.db2.gz ASEMVQQUMQXTIX-BQYQJAHWSA-N -1 3 362.286 3.921 20 30 FHEDHM CC(C)(C)OCc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736285316 600597524 /nfs/dbraw/zinc/59/75/24/600597524.db2.gz CLTBOPFOMRIUSF-LJQANCHMSA-N -1 3 352.434 3.789 20 30 FHEDHM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821824528 607458554 /nfs/dbraw/zinc/45/85/54/607458554.db2.gz LUAWGHFWFPEBTK-XQRVVYSFSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821824528 607458556 /nfs/dbraw/zinc/45/85/56/607458556.db2.gz LUAWGHFWFPEBTK-XQRVVYSFSA-N -1 3 358.760 3.564 20 30 FHEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1ccc(Cl)c(Cl)c1 ZINC000822741453 607463924 /nfs/dbraw/zinc/46/39/24/607463924.db2.gz XFZHCZRQDUMNTG-UHFFFAOYSA-N -1 3 351.172 3.759 20 30 FHEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1ccc(Cl)c(Cl)c1 ZINC000822741453 607463925 /nfs/dbraw/zinc/46/39/25/607463925.db2.gz XFZHCZRQDUMNTG-UHFFFAOYSA-N -1 3 351.172 3.759 20 30 FHEDHM CCOc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OCC ZINC000830063493 601297625 /nfs/dbraw/zinc/29/76/25/601297625.db2.gz CJTPJIDXOUKSMG-XOBRGWDASA-N -1 3 368.433 3.832 20 30 FHEDHM Cc1cc(Br)cc(C)c1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832859018 601303327 /nfs/dbraw/zinc/30/33/27/601303327.db2.gz ULFJAADWMKZYHQ-KRWDZBQOSA-N -1 3 373.250 3.853 20 30 FHEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC000833073971 601311727 /nfs/dbraw/zinc/31/17/27/601311727.db2.gz LFWUYEDBROMDRH-IBGZPJMESA-N -1 3 372.371 3.506 20 30 FHEDHM Cc1ccc(OC2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832950210 601319134 /nfs/dbraw/zinc/31/91/34/601319134.db2.gz DGEKSVVZGHYDOS-HXUWFJFHSA-N -1 3 350.418 3.536 20 30 FHEDHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000826051197 601656451 /nfs/dbraw/zinc/65/64/51/601656451.db2.gz BHKHQABBPFTYEV-SJCJKPOMSA-N -1 3 360.360 3.711 20 30 FHEDHM Cc1c(C(=O)C=Cc2coc3ccccc23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234284 607528579 /nfs/dbraw/zinc/52/85/79/607528579.db2.gz OVOJSFNHCXCYQX-CMDGGOBGSA-N -1 3 359.389 3.565 20 30 FHEDHM Cc1c(C(=O)C=Cc2coc3ccccc23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234284 607528581 /nfs/dbraw/zinc/52/85/81/607528581.db2.gz OVOJSFNHCXCYQX-CMDGGOBGSA-N -1 3 359.389 3.565 20 30 FHEDHM COc1cccc(C=C2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000832546270 602231230 /nfs/dbraw/zinc/23/12/30/602231230.db2.gz XCCDBTVOIPWKNO-NRFANRHFSA-N -1 3 362.429 3.872 20 30 FHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000827710319 602302956 /nfs/dbraw/zinc/30/29/56/602302956.db2.gz PSHYBZGEELEZCP-ZUOKHONESA-N -1 3 368.408 3.963 20 30 FHEDHM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1nc2ccccc2[nH]1 ZINC000740304541 602670188 /nfs/dbraw/zinc/67/01/88/602670188.db2.gz WGMJQFWHWQFFTP-CABCVRRESA-N -1 3 362.389 3.528 20 30 FHEDHM N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1nc2ccccc2[nH]1 ZINC000740304545 602670249 /nfs/dbraw/zinc/67/02/49/602670249.db2.gz WGMJQFWHWQFFTP-HUUCEWRRSA-N -1 3 362.389 3.528 20 30 FHEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000833420242 604947313 /nfs/dbraw/zinc/94/73/13/604947313.db2.gz POUPSIZOFCXEPL-CQSZACIVSA-N -1 3 350.846 3.565 20 30 FHEDHM N#Cc1cccc(CN[C@@H](c2ccc(F)cc2)C2CCN(C(=O)[O-])CC2)c1 ZINC000833978633 605982460 /nfs/dbraw/zinc/98/24/60/605982460.db2.gz QZJOCQHYDXNJNQ-FQEVSTJZSA-N -1 3 367.424 3.918 20 30 FHEDHM N#Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCN(C(=O)[O-])CC2)cc1 ZINC000833971814 605982627 /nfs/dbraw/zinc/98/26/27/605982627.db2.gz OPRKKQZIAXZHKF-FQEVSTJZSA-N -1 3 367.424 3.918 20 30 FHEDHM COc1ccc2cc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)ccc2c1 ZINC000821854621 606302257 /nfs/dbraw/zinc/30/22/57/606302257.db2.gz PLRZNFITXZANFY-VOTSOKGWSA-N -1 3 362.414 3.986 20 30 FHEDHM COc1ccc2cc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)ccc2c1 ZINC000821854621 606302258 /nfs/dbraw/zinc/30/22/58/606302258.db2.gz PLRZNFITXZANFY-VOTSOKGWSA-N -1 3 362.414 3.986 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCCCC2)cc1 ZINC000822922998 606304598 /nfs/dbraw/zinc/30/45/98/606304598.db2.gz MCRPMCJJIDVHOI-CMDGGOBGSA-N -1 3 365.462 3.815 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCCCC2)cc1 ZINC000822922998 606304601 /nfs/dbraw/zinc/30/46/01/606304601.db2.gz MCRPMCJJIDVHOI-CMDGGOBGSA-N -1 3 365.462 3.815 20 30 FHEDHM COc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)ccc1SC ZINC000821703019 606305428 /nfs/dbraw/zinc/30/54/28/606305428.db2.gz LCJPLGKBUJSPJL-PLNGDYQASA-N -1 3 358.448 3.555 20 30 FHEDHM COc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)ccc1SC ZINC000821703019 606305430 /nfs/dbraw/zinc/30/54/30/606305430.db2.gz LCJPLGKBUJSPJL-PLNGDYQASA-N -1 3 358.448 3.555 20 30 FHEDHM O=C(C=Cc1cnc(-c2cccs2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822937054 606339851 /nfs/dbraw/zinc/33/98/51/606339851.db2.gz ZIJXWLKCQCYALY-BQYQJAHWSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1cnc(-c2cccs2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822937054 606339853 /nfs/dbraw/zinc/33/98/53/606339853.db2.gz ZIJXWLKCQCYALY-BQYQJAHWSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(C(F)(F)F)c1 ZINC000822922021 606388133 /nfs/dbraw/zinc/38/81/33/606388133.db2.gz BUZNGFYMNYCOHQ-XQRVVYSFSA-N -1 3 350.325 3.843 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)CC(C)C ZINC000819743526 606587256 /nfs/dbraw/zinc/58/72/56/606587256.db2.gz LDNVXUGUDLRRIN-UHFFFAOYSA-N -1 3 370.501 3.637 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)CC(C)C ZINC000819743526 606587257 /nfs/dbraw/zinc/58/72/57/606587257.db2.gz LDNVXUGUDLRRIN-UHFFFAOYSA-N -1 3 370.501 3.637 20 30 FHEDHM C=C[C@H](C)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000819729786 606813482 /nfs/dbraw/zinc/81/34/82/606813482.db2.gz MTAPAQONGUIGMT-NSHDSACASA-N -1 3 369.812 3.617 20 30 FHEDHM N#CCCSc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822811521 606929867 /nfs/dbraw/zinc/92/98/67/606929867.db2.gz ZWQYSQJNHFEJPS-UHFFFAOYSA-N -1 3 354.414 3.624 20 30 FHEDHM N#CCCSc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822811521 606929868 /nfs/dbraw/zinc/92/98/68/606929868.db2.gz ZWQYSQJNHFEJPS-UHFFFAOYSA-N -1 3 354.414 3.624 20 30 FHEDHM CC(C)c1ncc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)s1 ZINC000820206633 606931619 /nfs/dbraw/zinc/93/16/19/606931619.db2.gz UATOSNSHVYDKNX-WQLSENKSSA-N -1 3 351.435 3.659 20 30 FHEDHM CC(C)c1ncc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)s1 ZINC000820206633 606931621 /nfs/dbraw/zinc/93/16/21/606931621.db2.gz UATOSNSHVYDKNX-WQLSENKSSA-N -1 3 351.435 3.659 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)c(C)c1 ZINC000819746024 607033905 /nfs/dbraw/zinc/03/39/05/607033905.db2.gz YIPGOUXERPKVLD-UHFFFAOYSA-N -1 3 367.840 3.657 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)c(C)c1 ZINC000819746024 607033907 /nfs/dbraw/zinc/03/39/07/607033907.db2.gz YIPGOUXERPKVLD-UHFFFAOYSA-N -1 3 367.840 3.657 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)c(F)c1 ZINC000822923195 607122723 /nfs/dbraw/zinc/12/27/23/607122723.db2.gz NZHRGJSDYBBMCJ-FPYGCLRLSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)c(F)c1 ZINC000822923195 607122724 /nfs/dbraw/zinc/12/27/24/607122724.db2.gz NZHRGJSDYBBMCJ-FPYGCLRLSA-N -1 3 373.185 3.664 20 30 FHEDHM Fc1cc(-c2ccncc2)ccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826371446 607783505 /nfs/dbraw/zinc/78/35/05/607783505.db2.gz GVQRVSZLXDZQLC-UHFFFAOYSA-N -1 3 359.368 3.514 20 30 FHEDHM CC(C)c1cccc2c1OCC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000824352369 607813731 /nfs/dbraw/zinc/81/37/31/607813731.db2.gz BFZQPVXYWVSGCP-FLIBITNWSA-N -1 3 352.419 3.710 20 30 FHEDHM N#Cc1ccccc1C=C1CCCC(=Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000826387374 607883899 /nfs/dbraw/zinc/88/38/99/607883899.db2.gz RWUFGYZEEQQFRQ-PWDIZTEBSA-N -1 3 367.412 3.958 20 30 FHEDHM N#Cc1ccccc1C=C1CCCC(=Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000826387374 607883900 /nfs/dbraw/zinc/88/39/00/607883900.db2.gz RWUFGYZEEQQFRQ-PWDIZTEBSA-N -1 3 367.412 3.958 20 30 FHEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc12 ZINC000826187302 607884254 /nfs/dbraw/zinc/88/42/54/607884254.db2.gz KJENZFZIVDYGSX-BENRWUELSA-N -1 3 356.385 3.925 20 30 FHEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc12 ZINC000826187302 607884255 /nfs/dbraw/zinc/88/42/55/607884255.db2.gz KJENZFZIVDYGSX-BENRWUELSA-N -1 3 356.385 3.925 20 30 FHEDHM C[C@H](Nc1ccc(C#N)cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000824655466 608050665 /nfs/dbraw/zinc/05/06/65/608050665.db2.gz CULVIYDHGGXQMN-JTQLQIEISA-N -1 3 369.226 3.674 20 30 FHEDHM C[C@H](Nc1ccc(C#N)cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000824655466 608050666 /nfs/dbraw/zinc/05/06/66/608050666.db2.gz CULVIYDHGGXQMN-JTQLQIEISA-N -1 3 369.226 3.674 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826395721 608288869 /nfs/dbraw/zinc/28/88/69/608288869.db2.gz QNEQPHKKQNDCRS-WAYWQWQTSA-N -1 3 360.204 3.652 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826395721 608288870 /nfs/dbraw/zinc/28/88/70/608288870.db2.gz QNEQPHKKQNDCRS-WAYWQWQTSA-N -1 3 360.204 3.652 20 30 FHEDHM CC(Cc1ccc(Cl)cc1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824457057 608291123 /nfs/dbraw/zinc/29/11/23/608291123.db2.gz DBULTMGMQNJSCJ-UHFFFAOYSA-N -1 3 362.224 3.599 20 30 FHEDHM CC(Cc1ccc(Cl)cc1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824457057 608291125 /nfs/dbraw/zinc/29/11/25/608291125.db2.gz DBULTMGMQNJSCJ-UHFFFAOYSA-N -1 3 362.224 3.599 20 30 FHEDHM CCCOc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000825339347 608535709 /nfs/dbraw/zinc/53/57/09/608535709.db2.gz XFPWONZAFWRSQZ-UHFFFAOYSA-N -1 3 371.832 3.540 20 30 FHEDHM CCCOc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000825339347 608535710 /nfs/dbraw/zinc/53/57/10/608535710.db2.gz XFPWONZAFWRSQZ-UHFFFAOYSA-N -1 3 371.832 3.540 20 30 FHEDHM CC(C)CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccs1 ZINC000824228012 608540170 /nfs/dbraw/zinc/54/01/70/608540170.db2.gz DBJFTCANQHIZDX-UHFFFAOYSA-N -1 3 361.862 3.839 20 30 FHEDHM CC(C)CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccs1 ZINC000824228012 608540171 /nfs/dbraw/zinc/54/01/71/608540171.db2.gz DBJFTCANQHIZDX-UHFFFAOYSA-N -1 3 361.862 3.839 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000826400776 608874809 /nfs/dbraw/zinc/87/48/09/608874809.db2.gz HYLWBUNIGBHHBR-SOFGYWHQSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000826400776 608874811 /nfs/dbraw/zinc/87/48/11/608874811.db2.gz HYLWBUNIGBHHBR-SOFGYWHQSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C1c2cccc(F)c2SCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475620 608878207 /nfs/dbraw/zinc/87/82/07/608878207.db2.gz LRALFDCAZAGTGA-UXBLZVDNSA-N -1 3 356.357 3.517 20 30 FHEDHM O=C1c2cccc(F)c2SCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475620 608878210 /nfs/dbraw/zinc/87/82/10/608878210.db2.gz LRALFDCAZAGTGA-UXBLZVDNSA-N -1 3 356.357 3.517 20 30 FHEDHM C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824530416 609152357 /nfs/dbraw/zinc/15/23/57/609152357.db2.gz KYYADRTWDCZUBO-FZKQIMNGSA-N -1 3 350.401 3.701 20 30 FHEDHM N#CC1(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCCC1 ZINC000826380283 609157396 /nfs/dbraw/zinc/15/73/96/609157396.db2.gz UIAMGCKQMNOWPU-UHFFFAOYSA-N -1 3 373.416 3.774 20 30 FHEDHM N#CC1(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CCCC1 ZINC000826380283 609157397 /nfs/dbraw/zinc/15/73/97/609157397.db2.gz UIAMGCKQMNOWPU-UHFFFAOYSA-N -1 3 373.416 3.774 20 30 FHEDHM CC(N=Nc1ncc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962392 609157733 /nfs/dbraw/zinc/15/77/33/609157733.db2.gz JPQLEOWSBUOTII-UHFFFAOYSA-N -1 3 366.187 3.544 20 30 FHEDHM CC(N=Nc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962392 609157734 /nfs/dbraw/zinc/15/77/34/609157734.db2.gz JPQLEOWSBUOTII-UHFFFAOYSA-N -1 3 366.187 3.544 20 30 FHEDHM CO[C@H](C)c1nc(C)c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)s1 ZINC000429607997 945069264 /nfs/dbraw/zinc/06/92/64/945069264.db2.gz WNMOOGNVBKOMSX-NEPJUHHUSA-N -1 3 354.435 3.834 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000610236017 928876972 /nfs/dbraw/zinc/87/69/72/928876972.db2.gz GUJPRNWUKHIFAC-FQEVSTJZSA-N -1 3 363.461 3.866 20 30 FHEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000255208115 930664107 /nfs/dbraw/zinc/66/41/07/930664107.db2.gz MGAXAIRMIHMKHK-CRAXFROJSA-N -1 3 350.256 3.921 20 30 FHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccccc2Cn2cncn2)s1 ZINC000430619399 932342566 /nfs/dbraw/zinc/34/25/66/932342566.db2.gz ASZROGCMBRQVBM-HNNXBMFYSA-N -1 3 365.462 3.570 20 30 FHEDHM C[S@](=O)Cc1ccccc1N=Cc1cc(Br)ccc1[O-] ZINC000588458249 933785873 /nfs/dbraw/zinc/78/58/73/933785873.db2.gz KYHIIVMORJPGCY-FQEVSTJZSA-N -1 3 352.253 3.784 20 30 FHEDHM COc1cc(C(=O)/C=C\c2cn(C)nc2-c2cccs2)c(OC)cc1[O-] ZINC000255430692 934789665 /nfs/dbraw/zinc/78/96/65/934789665.db2.gz HXGOFDIEGRLFLT-SREVYHEPSA-N -1 3 370.430 3.768 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)cs1 ZINC000737799457 945128302 /nfs/dbraw/zinc/12/83/02/945128302.db2.gz ORPMRIHQFWGEQU-KTKRTIGZSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)cs1 ZINC000737799457 945128306 /nfs/dbraw/zinc/12/83/06/945128306.db2.gz ORPMRIHQFWGEQU-KTKRTIGZSA-N -1 3 359.414 3.886 20 30 FHEDHM COc1cc(C(=O)/C=C\c2cnn(Cc3ccc(F)cc3)c2)ccc1[O-] ZINC000588534708 935880601 /nfs/dbraw/zinc/88/06/01/935880601.db2.gz BOMGEFMJTPXNJZ-YWEYNIOJSA-N -1 3 352.365 3.681 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(C(C)C)nc2)no1 ZINC000277807985 935966854 /nfs/dbraw/zinc/96/68/54/935966854.db2.gz AEIHEBFSVJWWRZ-UHFFFAOYSA-N -1 3 363.421 3.629 20 30 FHEDHM C[C@@]1(C#N)CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000612166731 939170589 /nfs/dbraw/zinc/17/05/89/939170589.db2.gz YPZKINZFSFPMMK-SFHVURJKSA-N -1 3 354.435 3.783 20 30 FHEDHM COc1ccc(N=Cc2cc(Br)ccc2[O-])c(OC)c1OC ZINC000255771085 939199372 /nfs/dbraw/zinc/19/93/72/939199372.db2.gz NCQPUJMHWCHMPF-UHFFFAOYSA-N -1 3 366.211 3.931 20 30 FHEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=Cc3ccccc3C#N)cc2)n1 ZINC000255903320 940960140 /nfs/dbraw/zinc/96/01/40/940960140.db2.gz NZYOZUHSWMWJSR-FLIBITNWSA-N -1 3 356.385 3.681 20 30 FHEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C#N)cn3C)n2)cc1 ZINC000176112707 940986787 /nfs/dbraw/zinc/98/67/87/940986787.db2.gz DOBSZEVEDNCNLR-OAHLLOKOSA-N -1 3 362.414 3.519 20 30 FHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c(F)c1 ZINC000189314178 941156011 /nfs/dbraw/zinc/15/60/11/941156011.db2.gz MEMCRWCYNFSQBM-UHFFFAOYSA-N -1 3 358.316 3.603 20 30 FHEDHM N#Cc1cccc(-c2csc([N-]C(=O)c3cc(-c4ccccn4)no3)n2)c1 ZINC000502407008 942410434 /nfs/dbraw/zinc/41/04/34/942410434.db2.gz PXAWOXHLUKPVPG-UHFFFAOYSA-N -1 3 373.397 3.984 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC000894295449 942580163 /nfs/dbraw/zinc/58/01/63/942580163.db2.gz CSPMLJOCIPBYQG-SZNDQCEHSA-N -1 3 363.461 3.818 20 30 FHEDHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000434625956 942815511 /nfs/dbraw/zinc/81/55/11/942815511.db2.gz FZAPWTULNXRUKK-UHFFFAOYSA-N -1 3 350.827 3.638 20 30 FHEDHM Cc1ncc(CO)c(/C=N/[C@@H](CCc2ccccc2)C(F)(F)F)c1[O-] ZINC000272185515 943108732 /nfs/dbraw/zinc/10/87/32/943108732.db2.gz DMHOJECGLZONRA-VYPBGABDSA-N -1 3 352.356 3.571 20 30 FHEDHM COc1cc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)ccc1C#N ZINC000417570262 943710256 /nfs/dbraw/zinc/71/02/56/943710256.db2.gz MSXVZEHKQAXHLR-LJQANCHMSA-N -1 3 352.434 3.996 20 30 FHEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Cl)ccc1OCc1cccnc1 ZINC000417604056 943743875 /nfs/dbraw/zinc/74/38/75/943743875.db2.gz ARMLSRBHGYKBIA-QGZVFWFLSA-N -1 3 360.841 3.823 20 30 FHEDHM CCCCc1nc(NC(=O)c2ccc(C#N)c(Cl)c2)c(C(=O)OCC)[n-]1 ZINC000517066014 943964838 /nfs/dbraw/zinc/96/48/38/943964838.db2.gz GNJUTTHVTYFCTB-UHFFFAOYSA-N -1 3 374.828 3.706 20 30 FHEDHM COC(=O)c1cc(C)nc2nc(SCCCCC(C)(C)C#N)[n-]c(=O)c21 ZINC000436203748 944098077 /nfs/dbraw/zinc/09/80/77/944098077.db2.gz JXCOOSPMBCJMLP-UHFFFAOYSA-N -1 3 374.466 3.638 20 30 FHEDHM COCCSc1ccc([C@@H](C)/N=C\c2c([O-])c(C)ncc2CO)cc1 ZINC000728786316 944199595 /nfs/dbraw/zinc/19/95/95/944199595.db2.gz YOLKDBOAYLKKPO-PJICWNCHSA-N -1 3 360.479 3.507 20 30 FHEDHM N#C[C@H](NC(=O)c1ccccc1[O-])c1ccc(OCc2ccccc2)cc1 ZINC000436605402 944456346 /nfs/dbraw/zinc/45/63/46/944456346.db2.gz PGMLXARLVJHNSV-FQEVSTJZSA-N -1 3 358.397 3.966 20 30 FHEDHM C=CCc1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc(OC)c1O ZINC000426729386 944738222 /nfs/dbraw/zinc/73/82/22/944738222.db2.gz CKVSRLYSFPDEAM-QGZVFWFLSA-N -1 3 361.825 3.698 20 30 FHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000125092913 945594707 /nfs/dbraw/zinc/59/47/07/945594707.db2.gz ZDIUHYWRDRIJKP-AWEZNQCLSA-N -1 3 365.389 3.910 20 30 FHEDHM C=CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H](C)COC ZINC000661244817 945899635 /nfs/dbraw/zinc/89/96/35/945899635.db2.gz YQXWILHAMLDOGU-LBPRGKRZSA-N -1 3 359.451 3.680 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(OC(F)(F)F)c1 ZINC000822924194 946220971 /nfs/dbraw/zinc/22/09/71/946220971.db2.gz YSZXMWAZYABLDD-PLNGDYQASA-N -1 3 366.324 3.723 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(OC(F)(F)F)c1 ZINC000822924194 946220985 /nfs/dbraw/zinc/22/09/85/946220985.db2.gz YSZXMWAZYABLDD-PLNGDYQASA-N -1 3 366.324 3.723 20 30 FHEDHM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c(Br)c1 ZINC000441371374 946523895 /nfs/dbraw/zinc/52/38/95/946523895.db2.gz KZGHIHIYFKLKGN-UHFFFAOYSA-N -1 3 365.252 3.738 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H](C)c2cccc(F)c2)no1 ZINC000897074077 946553494 /nfs/dbraw/zinc/55/34/94/946553494.db2.gz JOMUKBCUBIEUPJ-LLVKDONJSA-N -1 3 366.396 3.735 20 30 FHEDHM C#CCCCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C(C)(C)CC2 ZINC001573283013 946705924 /nfs/dbraw/zinc/70/59/24/946705924.db2.gz QCSOFZWWABBMQX-UHFFFAOYSA-N -1 3 357.483 3.674 20 30 FHEDHM C#CCCCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C(C)(C)CC2 ZINC001573283013 946705930 /nfs/dbraw/zinc/70/59/30/946705930.db2.gz QCSOFZWWABBMQX-UHFFFAOYSA-N -1 3 357.483 3.674 20 30 FHEDHM C=C(CC)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC001573295886 947031009 /nfs/dbraw/zinc/03/10/09/947031009.db2.gz VJFMFJQYBAKGGY-UHFFFAOYSA-N -1 3 365.393 3.572 20 30 FHEDHM C=C(CC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC001573295886 947031017 /nfs/dbraw/zinc/03/10/17/947031017.db2.gz VJFMFJQYBAKGGY-UHFFFAOYSA-N -1 3 365.393 3.572 20 30 FHEDHM N#CC(=C([O-])c1cnn(-c2ccc(Br)cc2)c1)c1ccccn1 ZINC000049458276 947074549 /nfs/dbraw/zinc/07/45/49/947074549.db2.gz NOGAELOBUUYTBA-OAHLLOKOSA-N -1 3 367.206 3.520 20 30 FHEDHM Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000328992629 947137009 /nfs/dbraw/zinc/13/70/09/947137009.db2.gz VQJYHMOYZSSPGX-IAQYHMDHSA-N -1 3 369.343 3.900 20 30 FHEDHM C=CC(C)(C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001573305454 947154366 /nfs/dbraw/zinc/15/43/66/947154366.db2.gz CGOFETBGOMQMQZ-UHFFFAOYSA-N -1 3 365.462 3.712 20 30 FHEDHM C=CC(C)(C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001573305454 947154368 /nfs/dbraw/zinc/15/43/68/947154368.db2.gz CGOFETBGOMQMQZ-UHFFFAOYSA-N -1 3 365.462 3.712 20 30 FHEDHM C=CCn1cc2ccc(NCc3c(C)cc(-c4nnn[n-]4)cc3C)cc2n1 ZINC001573350934 947606245 /nfs/dbraw/zinc/60/62/45/947606245.db2.gz LNUHUDJCFCQWED-UHFFFAOYSA-N -1 3 359.437 3.631 20 30 FHEDHM C=CCn1cc2ccc(NCc3c(C)cc(-c4nn[n-]n4)cc3C)cc2n1 ZINC001573350934 947606251 /nfs/dbraw/zinc/60/62/51/947606251.db2.gz LNUHUDJCFCQWED-UHFFFAOYSA-N -1 3 359.437 3.631 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436556391 947673268 /nfs/dbraw/zinc/67/32/68/947673268.db2.gz KRMAMNHSPMJILJ-LLVKDONJSA-N -1 3 356.403 3.625 20 30 FHEDHM O=C(C=Cc1ccc(F)c(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826400573 948217606 /nfs/dbraw/zinc/21/76/06/948217606.db2.gz BMSZCVXPDFBPHR-FNORWQNLSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)c(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826400573 948217613 /nfs/dbraw/zinc/21/76/13/948217613.db2.gz BMSZCVXPDFBPHR-FNORWQNLSA-N -1 3 362.286 3.921 20 30 FHEDHM C[C@@H]1[C@@H](C(=O)[N-][C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)C1(F)F ZINC000461105289 567967033 /nfs/dbraw/zinc/96/70/33/567967033.db2.gz AFQUQGIXSCXCHL-WHFVKQHSSA-N -1 3 359.241 3.909 20 30 FHEDHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H]1CCC[C@H]1C#N ZINC000602977926 568036293 /nfs/dbraw/zinc/03/62/93/568036293.db2.gz IWFRMOHMBMPKBC-WCQYABFASA-N -1 3 354.435 3.781 20 30 FHEDHM COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccc([O-])c3)c2)c1 ZINC000603264109 568079998 /nfs/dbraw/zinc/07/99/98/568079998.db2.gz UBGVHTVWYNQOIX-UHFFFAOYSA-N -1 3 371.392 3.831 20 30 FHEDHM C=CCCCCCN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000735407950 598904463 /nfs/dbraw/zinc/90/44/63/598904463.db2.gz BVNJRDPQDXPQBV-UHFFFAOYSA-N -1 3 372.473 3.864 20 30 FHEDHM C=CCCCCCN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000735407950 598904465 /nfs/dbraw/zinc/90/44/65/598904465.db2.gz BVNJRDPQDXPQBV-UHFFFAOYSA-N -1 3 372.473 3.864 20 30 FHEDHM C=CCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000819759237 599112769 /nfs/dbraw/zinc/11/27/69/599112769.db2.gz QJGXZWFXJWJNPP-WJDWOHSUSA-N -1 3 358.401 3.644 20 30 FHEDHM C=CCOc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000819759237 599112772 /nfs/dbraw/zinc/11/27/72/599112772.db2.gz QJGXZWFXJWJNPP-WJDWOHSUSA-N -1 3 358.401 3.644 20 30 FHEDHM COc1ccc(C=CC(=O)c2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000737082446 599151152 /nfs/dbraw/zinc/15/11/52/599151152.db2.gz VIYOAOFIMATZCO-PKNBQFBNSA-N -1 3 356.385 3.925 20 30 FHEDHM COc1ccc(C=CC(=O)c2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000737082446 599151154 /nfs/dbraw/zinc/15/11/54/599151154.db2.gz VIYOAOFIMATZCO-PKNBQFBNSA-N -1 3 356.385 3.925 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(C)cc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737330349 599158635 /nfs/dbraw/zinc/15/86/35/599158635.db2.gz QESDSCXQJGUJCH-KPKJPENVSA-N -1 3 370.416 3.565 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)CCCCCC ZINC000735419437 599183652 /nfs/dbraw/zinc/18/36/52/599183652.db2.gz SZOBGDFBHJEQGT-MRXNPFEDSA-N -1 3 355.486 3.988 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)CCCCCC ZINC000735419437 599183657 /nfs/dbraw/zinc/18/36/57/599183657.db2.gz SZOBGDFBHJEQGT-MRXNPFEDSA-N -1 3 355.486 3.988 20 30 FHEDHM CCC[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736423651 599190766 /nfs/dbraw/zinc/19/07/66/599190766.db2.gz WWGJMSVPLZBJHB-CQSZACIVSA-N -1 3 352.442 3.673 20 30 FHEDHM CCC[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736423651 599190768 /nfs/dbraw/zinc/19/07/68/599190768.db2.gz WWGJMSVPLZBJHB-CQSZACIVSA-N -1 3 352.442 3.673 20 30 FHEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735410043 599217379 /nfs/dbraw/zinc/21/73/79/599217379.db2.gz RZLNPDCGUOUPTQ-CYBMUJFWSA-N -1 3 364.409 3.745 20 30 FHEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735410043 599217381 /nfs/dbraw/zinc/21/73/81/599217381.db2.gz RZLNPDCGUOUPTQ-CYBMUJFWSA-N -1 3 364.409 3.745 20 30 FHEDHM C[C@H](Sc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc(C#N)cc1 ZINC000736190460 599287025 /nfs/dbraw/zinc/28/70/25/599287025.db2.gz FLTCSDKJOLWTMN-LBPRGKRZSA-N -1 3 362.462 3.865 20 30 FHEDHM C[C@H](Sc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc(C#N)cc1 ZINC000736190460 599287027 /nfs/dbraw/zinc/28/70/27/599287027.db2.gz FLTCSDKJOLWTMN-LBPRGKRZSA-N -1 3 362.462 3.865 20 30 FHEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)(F)F ZINC000735450825 598492028 /nfs/dbraw/zinc/49/20/28/598492028.db2.gz DZJWSWLGHMAILT-UHFFFAOYSA-N -1 3 362.315 3.601 20 30 FHEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)(F)F ZINC000735450825 598492030 /nfs/dbraw/zinc/49/20/30/598492030.db2.gz DZJWSWLGHMAILT-UHFFFAOYSA-N -1 3 362.315 3.601 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000735451315 598492205 /nfs/dbraw/zinc/49/22/05/598492205.db2.gz XJOLEXZVVGNIGX-UHFFFAOYSA-N -1 3 362.315 3.601 20 30 FHEDHM CCCCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736444122 598545145 /nfs/dbraw/zinc/54/51/45/598545145.db2.gz DBVLEXRQFRODNB-UHFFFAOYSA-N -1 3 353.373 3.767 20 30 FHEDHM CCCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736444122 598545147 /nfs/dbraw/zinc/54/51/47/598545147.db2.gz DBVLEXRQFRODNB-UHFFFAOYSA-N -1 3 353.373 3.767 20 30 FHEDHM Oc1cccc(C=Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c1O ZINC000738400885 598547406 /nfs/dbraw/zinc/54/74/06/598547406.db2.gz NHRFEDBYUHRCJR-UHFFFAOYSA-N -1 3 373.372 3.821 20 30 FHEDHM N#Cc1ccc(Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000737720863 598557117 /nfs/dbraw/zinc/55/71/17/598557117.db2.gz AKGFFCYDXFUEPQ-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM N#Cc1ccc(Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000737720863 598557119 /nfs/dbraw/zinc/55/71/19/598557119.db2.gz AKGFFCYDXFUEPQ-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM CC[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736391293 598568920 /nfs/dbraw/zinc/56/89/20/598568920.db2.gz MFNNWYYXKHAWIY-CYBMUJFWSA-N -1 3 371.857 3.612 20 30 FHEDHM CC[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736391293 598568921 /nfs/dbraw/zinc/56/89/21/598568921.db2.gz MFNNWYYXKHAWIY-CYBMUJFWSA-N -1 3 371.857 3.612 20 30 FHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738291327 598788446 /nfs/dbraw/zinc/78/84/46/598788446.db2.gz UFNSBPXLMUGNNS-XFFZJAGNSA-N -1 3 357.200 3.996 20 30 FHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738291327 598788448 /nfs/dbraw/zinc/78/84/48/598788448.db2.gz UFNSBPXLMUGNNS-XFFZJAGNSA-N -1 3 357.200 3.996 20 30 FHEDHM N#Cc1cc(Cl)ccc1NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737703526 598792409 /nfs/dbraw/zinc/79/24/09/598792409.db2.gz CBSZSSAPGLRIKN-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM N#Cc1cc(Cl)ccc1NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737703526 598792410 /nfs/dbraw/zinc/79/24/10/598792410.db2.gz CBSZSSAPGLRIKN-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM O=C(C=Cc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737795835 598820558 /nfs/dbraw/zinc/82/05/58/598820558.db2.gz MHWMBMZYRIVGON-YVMONPNESA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737795835 598820560 /nfs/dbraw/zinc/82/05/60/598820560.db2.gz MHWMBMZYRIVGON-YVMONPNESA-N -1 3 362.286 3.921 20 30 FHEDHM c1cc2c(ccnc2N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)s1 ZINC000823767595 599339368 /nfs/dbraw/zinc/33/93/68/599339368.db2.gz UVOKXBDRWMREPF-UHFFFAOYSA-N -1 3 361.434 3.629 20 30 FHEDHM c1cc2c(ccnc2N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)s1 ZINC000823767595 599339371 /nfs/dbraw/zinc/33/93/71/599339371.db2.gz UVOKXBDRWMREPF-UHFFFAOYSA-N -1 3 361.434 3.629 20 30 FHEDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000820455765 599353806 /nfs/dbraw/zinc/35/38/06/599353806.db2.gz NCMRZNPPSBDGKD-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000820455765 599353809 /nfs/dbraw/zinc/35/38/09/599353809.db2.gz NCMRZNPPSBDGKD-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM CCCCc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000736463372 599460322 /nfs/dbraw/zinc/46/03/22/599460322.db2.gz OGTZHBOZIABHKK-ZHACJKMWSA-N -1 3 372.432 3.753 20 30 FHEDHM CCCCc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000736463372 599460323 /nfs/dbraw/zinc/46/03/23/599460323.db2.gz OGTZHBOZIABHKK-ZHACJKMWSA-N -1 3 372.432 3.753 20 30 FHEDHM C=CCCCCCN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819739710 599568418 /nfs/dbraw/zinc/56/84/18/599568418.db2.gz DUHVHGXNTCQLOQ-UHFFFAOYSA-N -1 3 367.413 3.506 20 30 FHEDHM C=CCCCCCN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819739710 599568421 /nfs/dbraw/zinc/56/84/21/599568421.db2.gz DUHVHGXNTCQLOQ-UHFFFAOYSA-N -1 3 367.413 3.506 20 30 FHEDHM CCC[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821007548 599620355 /nfs/dbraw/zinc/62/03/55/599620355.db2.gz AIQNYVRMZSEYPK-SMDDNHRTSA-N -1 3 366.450 3.603 20 30 FHEDHM CCC[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821007548 599620356 /nfs/dbraw/zinc/62/03/56/599620356.db2.gz AIQNYVRMZSEYPK-SMDDNHRTSA-N -1 3 366.450 3.603 20 30 FHEDHM CCC[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821007547 599620558 /nfs/dbraw/zinc/62/05/58/599620558.db2.gz AIQNYVRMZSEYPK-RISCZKNCSA-N -1 3 366.450 3.603 20 30 FHEDHM CCC[C@@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821007547 599620559 /nfs/dbraw/zinc/62/05/59/599620559.db2.gz AIQNYVRMZSEYPK-RISCZKNCSA-N -1 3 366.450 3.603 20 30 FHEDHM N#Cc1cc(NC(=O)C2CCC(c3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000822823458 599632272 /nfs/dbraw/zinc/63/22/72/599632272.db2.gz RBOCFNCNXWPFLE-UHFFFAOYSA-N -1 3 372.432 3.651 20 30 FHEDHM N#Cc1cc(NC(=O)C2CCC(c3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000822823458 599632273 /nfs/dbraw/zinc/63/22/73/599632273.db2.gz RBOCFNCNXWPFLE-UHFFFAOYSA-N -1 3 372.432 3.651 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(F)c1C ZINC000819745389 599693260 /nfs/dbraw/zinc/69/32/60/599693260.db2.gz AOTNWZLWZSYXJP-UHFFFAOYSA-N -1 3 366.400 3.534 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(F)c1C ZINC000819745389 599693261 /nfs/dbraw/zinc/69/32/61/599693261.db2.gz AOTNWZLWZSYXJP-UHFFFAOYSA-N -1 3 366.400 3.534 20 30 FHEDHM CC[C@H](C#N)Oc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736847571 600437252 /nfs/dbraw/zinc/43/72/52/600437252.db2.gz DQGGFRGBPVTEJI-SJLPKXTDSA-N -1 3 358.825 3.936 20 30 FHEDHM O=C(C=Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822922743 607455435 /nfs/dbraw/zinc/45/54/35/607455435.db2.gz JAYJVTVQOICLHW-BHQIHCQQSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822922743 607455436 /nfs/dbraw/zinc/45/54/36/607455436.db2.gz JAYJVTVQOICLHW-BHQIHCQQSA-N -1 3 362.286 3.921 20 30 FHEDHM COc1cc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(C)C ZINC000737869166 600593630 /nfs/dbraw/zinc/59/36/30/600593630.db2.gz ZPGWSSDXVRMYLQ-VLIAUNLRSA-N -1 3 368.433 3.831 20 30 FHEDHM CCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737179226 600594832 /nfs/dbraw/zinc/59/48/32/600594832.db2.gz DTZYIGXMPVIBIH-QGZVFWFLSA-N -1 3 374.824 3.534 20 30 FHEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000738008139 600597481 /nfs/dbraw/zinc/59/74/81/600597481.db2.gz FWTWNZHRBDEHLF-MRXNPFEDSA-N -1 3 364.323 3.501 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(OC(F)F)cc1 ZINC000822922942 607457172 /nfs/dbraw/zinc/45/71/72/607457172.db2.gz LGZRDWGMGRSCNY-YVMONPNESA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC(F)F)cc1 ZINC000822922942 607457173 /nfs/dbraw/zinc/45/71/73/607457173.db2.gz LGZRDWGMGRSCNY-YVMONPNESA-N -1 3 360.295 3.503 20 30 FHEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1ccnc2cc(Cl)ccc21 ZINC000822740168 607461846 /nfs/dbraw/zinc/46/18/46/607461846.db2.gz HQQFVWCZUJOIOY-UHFFFAOYSA-N -1 3 367.775 3.653 20 30 FHEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1ccnc2cc(Cl)ccc21 ZINC000822740168 607461847 /nfs/dbraw/zinc/46/18/47/607461847.db2.gz HQQFVWCZUJOIOY-UHFFFAOYSA-N -1 3 367.775 3.653 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(-c2ccncc2)c1 ZINC000822922323 607459867 /nfs/dbraw/zinc/45/98/67/607459867.db2.gz FMRYZBXHEBWXAW-VOTSOKGWSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(-c2ccncc2)c1 ZINC000822922323 607459868 /nfs/dbraw/zinc/45/98/68/607459868.db2.gz FMRYZBXHEBWXAW-VOTSOKGWSA-N -1 3 371.375 3.964 20 30 FHEDHM CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000829431125 601236171 /nfs/dbraw/zinc/23/61/71/601236171.db2.gz VGAYJGHPXQCIIO-LZLYRXPVSA-N -1 3 370.449 3.568 20 30 FHEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000827718853 601299178 /nfs/dbraw/zinc/29/91/78/601299178.db2.gz YXTQVYIKQLMOFN-ZBEGNZNMSA-N -1 3 364.323 3.933 20 30 FHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000827718847 601299207 /nfs/dbraw/zinc/29/92/07/601299207.db2.gz YXTQVYIKQLMOFN-BDJLRTHQSA-N -1 3 364.323 3.933 20 30 FHEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC000827710206 601560362 /nfs/dbraw/zinc/56/03/62/601560362.db2.gz OCPZHXXGEZALLN-ZBEGNZNMSA-N -1 3 364.323 3.933 20 30 FHEDHM CC(C)COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820103370 606303512 /nfs/dbraw/zinc/30/35/12/606303512.db2.gz WVXHVLQFLFWTAO-FPLPWBNLSA-N -1 3 354.435 3.859 20 30 FHEDHM CC(C)COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820103370 606303514 /nfs/dbraw/zinc/30/35/14/606303514.db2.gz WVXHVLQFLFWTAO-FPLPWBNLSA-N -1 3 354.435 3.859 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(Br)c1 ZINC000822924233 606388291 /nfs/dbraw/zinc/38/82/91/606388291.db2.gz ZISSJVJXHMGMCS-XQRVVYSFSA-N -1 3 361.224 3.587 20 30 FHEDHM CCOc1cccc2cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)oc21 ZINC000821431305 606388903 /nfs/dbraw/zinc/38/89/03/606388903.db2.gz OZPAUYHLIFSPRV-VURMDHGXSA-N -1 3 366.402 3.969 20 30 FHEDHM N#Cc1cccnc1Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822842689 606432946 /nfs/dbraw/zinc/43/29/46/606432946.db2.gz UJOZFECTGVLGKK-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM N#Cc1cccnc1Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822842689 606432948 /nfs/dbraw/zinc/43/29/48/606432948.db2.gz UJOZFECTGVLGKK-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000819854166 606458187 /nfs/dbraw/zinc/45/81/87/606458187.db2.gz AQDOCRRTLFOBDE-ZDUSSCGKSA-N -1 3 350.451 3.731 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000819854166 606458188 /nfs/dbraw/zinc/45/81/88/606458188.db2.gz AQDOCRRTLFOBDE-ZDUSSCGKSA-N -1 3 350.451 3.731 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819857760 606458218 /nfs/dbraw/zinc/45/82/18/606458218.db2.gz UVYBTYRGBNLODI-LBPRGKRZSA-N -1 3 368.441 3.870 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819857760 606458220 /nfs/dbraw/zinc/45/82/20/606458220.db2.gz UVYBTYRGBNLODI-LBPRGKRZSA-N -1 3 368.441 3.870 20 30 FHEDHM CC(C)(C#N)CCCNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000819892186 606826021 /nfs/dbraw/zinc/82/60/21/606826021.db2.gz YHXJORMOSZSPQT-UHFFFAOYSA-N -1 3 363.425 3.796 20 30 FHEDHM CC(C)(C#N)c1ccccc1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000819892141 607132632 /nfs/dbraw/zinc/13/26/32/607132632.db2.gz WJNPFQFJVGXOIO-UHFFFAOYSA-N -1 3 353.813 3.900 20 30 FHEDHM CC(C)(C#N)c1ccccc1COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000819892141 607132634 /nfs/dbraw/zinc/13/26/34/607132634.db2.gz WJNPFQFJVGXOIO-UHFFFAOYSA-N -1 3 353.813 3.900 20 30 FHEDHM Clc1cccc(C2CC(=NNCc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826353209 607816609 /nfs/dbraw/zinc/81/66/09/607816609.db2.gz GHAGPCPEHJMSJD-UHFFFAOYSA-N -1 3 352.829 3.543 20 30 FHEDHM Clc1cccc(C2CC(=NNCc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826353209 607816610 /nfs/dbraw/zinc/81/66/10/607816610.db2.gz GHAGPCPEHJMSJD-UHFFFAOYSA-N -1 3 352.829 3.543 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)c(Br)c1 ZINC000826402233 607884601 /nfs/dbraw/zinc/88/46/01/607884601.db2.gz PFIURHATBCUDPK-VURMDHGXSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)c(Br)c1 ZINC000826402233 607884602 /nfs/dbraw/zinc/88/46/02/607884602.db2.gz PFIURHATBCUDPK-VURMDHGXSA-N -1 3 373.185 3.664 20 30 FHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826332241 607884767 /nfs/dbraw/zinc/88/47/67/607884767.db2.gz OFDZKZMYCZVNGT-SEYXRHQNSA-N -1 3 370.416 3.565 20 30 FHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826332241 607884768 /nfs/dbraw/zinc/88/47/68/607884768.db2.gz OFDZKZMYCZVNGT-SEYXRHQNSA-N -1 3 370.416 3.565 20 30 FHEDHM C=C[C@@H](C)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823883011 608059455 /nfs/dbraw/zinc/05/94/55/608059455.db2.gz INYZDCBOSDWHJH-LLVKDONJSA-N -1 3 369.812 3.617 20 30 FHEDHM C=C[C@@H](C)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823883011 608059456 /nfs/dbraw/zinc/05/94/56/608059456.db2.gz INYZDCBOSDWHJH-LLVKDONJSA-N -1 3 369.812 3.617 20 30 FHEDHM Clc1ccc(Cl)c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826352201 608538138 /nfs/dbraw/zinc/53/81/38/608538138.db2.gz RMZMPEOBCPZIQD-UHFFFAOYSA-N -1 3 368.615 3.668 20 30 FHEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(Cl)s1 ZINC000825029474 608540576 /nfs/dbraw/zinc/54/05/76/608540576.db2.gz TYYLSQSKLVLASF-UHFFFAOYSA-N -1 3 368.253 3.856 20 30 FHEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(Cl)s1 ZINC000825029474 608540578 /nfs/dbraw/zinc/54/05/78/608540578.db2.gz TYYLSQSKLVLASF-UHFFFAOYSA-N -1 3 368.253 3.856 20 30 FHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CCO2 ZINC000826263481 608880258 /nfs/dbraw/zinc/88/02/58/608880258.db2.gz CSZSIJSWIOMPRZ-ZROIWOOFSA-N -1 3 364.380 3.671 20 30 FHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CCO2 ZINC000826263481 608880262 /nfs/dbraw/zinc/88/02/62/608880262.db2.gz CSZSIJSWIOMPRZ-ZROIWOOFSA-N -1 3 364.380 3.671 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(-c2ccncc2)cc1 ZINC000826400873 608880823 /nfs/dbraw/zinc/88/08/23/608880823.db2.gz KDAKMXSLDDSYIP-WAPJZHGLSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(-c2ccncc2)cc1 ZINC000826400873 608880825 /nfs/dbraw/zinc/88/08/25/608880825.db2.gz KDAKMXSLDDSYIP-WAPJZHGLSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475842 608881577 /nfs/dbraw/zinc/88/15/77/608881577.db2.gz SOHDWRKLCKRXRB-DHZHZOJOSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475842 608881578 /nfs/dbraw/zinc/88/15/78/608881578.db2.gz SOHDWRKLCKRXRB-DHZHZOJOSA-N -1 3 370.771 3.708 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826190555 609269931 /nfs/dbraw/zinc/26/99/31/609269931.db2.gz FRQCCIWJLFAFJA-KXFIGUGUSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826190555 609269933 /nfs/dbraw/zinc/26/99/33/609269933.db2.gz FRQCCIWJLFAFJA-KXFIGUGUSA-N -1 3 358.760 3.564 20 30 FHEDHM O=C(C=Cc1ccccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401896 609271121 /nfs/dbraw/zinc/27/11/21/609271121.db2.gz JCHDDLXOVGYSPL-SOFGYWHQSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401896 609271122 /nfs/dbraw/zinc/27/11/22/609271122.db2.gz JCHDDLXOVGYSPL-SOFGYWHQSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403399 609274890 /nfs/dbraw/zinc/27/48/90/609274890.db2.gz QXWARRBNYHCXSX-CSKARUKUSA-N -1 3 364.380 3.691 20 30 FHEDHM O=C(C=Cc1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403399 609274892 /nfs/dbraw/zinc/27/48/92/609274892.db2.gz QXWARRBNYHCXSX-CSKARUKUSA-N -1 3 364.380 3.691 20 30 FHEDHM CC(C)c1ccc([C@H](C)Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC000824347801 609482362 /nfs/dbraw/zinc/48/23/62/609482362.db2.gz OIUQDPMEUTZQGS-NSHDSACASA-N -1 3 365.466 3.692 20 30 FHEDHM CC(C)c1ccc([C@H](C)Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC000824347801 609482365 /nfs/dbraw/zinc/48/23/65/609482365.db2.gz OIUQDPMEUTZQGS-NSHDSACASA-N -1 3 365.466 3.692 20 30 FHEDHM C=C1CCC(C[N-]S(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000724462190 927564862 /nfs/dbraw/zinc/56/48/62/927564862.db2.gz OOFLNFGPUZHWBB-UHFFFAOYSA-N -1 3 364.330 3.844 20 30 FHEDHM CC[C@H]1CCc2ccccc2N1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000177664716 929997695 /nfs/dbraw/zinc/99/76/95/929997695.db2.gz AVAUMOBETUURSW-KRWDZBQOSA-N -1 3 363.461 3.554 20 30 FHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnc([C@H]4CCCO4)s3)nc21 ZINC000536347968 930155273 /nfs/dbraw/zinc/15/52/73/930155273.db2.gz GQFVBFSUMJILTB-WCQYABFASA-N -1 3 352.419 3.669 20 30 FHEDHM COc1ccc(OC(F)F)c(/C=C\C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000254935798 930335190 /nfs/dbraw/zinc/33/51/90/930335190.db2.gz JEGIXLAKNBCGIE-XQRVVYSFSA-N -1 3 350.317 3.907 20 30 FHEDHM CC(C)(C)c1csc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1C#N ZINC000096512203 931516868 /nfs/dbraw/zinc/51/68/68/931516868.db2.gz ZXFZRQPSTAGFJO-UHFFFAOYSA-N -1 3 374.378 3.986 20 30 FHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=CSc1ccccc1 ZINC000255277544 931603882 /nfs/dbraw/zinc/60/38/82/931603882.db2.gz FWCKOXFNXSZJPP-SSCKCOOKSA-N -1 3 352.415 3.649 20 30 FHEDHM COCCOc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430614100 932284096 /nfs/dbraw/zinc/28/40/96/932284096.db2.gz YCUOOHCMFCXHKR-OAHLLOKOSA-N -1 3 358.463 3.956 20 30 FHEDHM C=CC[C@H](C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430656643 932639933 /nfs/dbraw/zinc/63/99/33/932639933.db2.gz FSMVRPZFCRQDFM-QMMMGPOBSA-N -1 3 369.646 3.638 20 30 FHEDHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccc(C#N)c1 ZINC000610811724 934449956 /nfs/dbraw/zinc/44/99/56/934449956.db2.gz MYSKJMNNMVDDTH-NSHDSACASA-N -1 3 374.238 3.587 20 30 FHEDHM N#CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C1CCCC1 ZINC000156647616 934834493 /nfs/dbraw/zinc/83/44/93/934834493.db2.gz JDRBSPDAGPDEGB-UHFFFAOYSA-N -1 3 354.435 3.513 20 30 FHEDHM COc1cc(C(=O)/C=C\c2cc([N+](=O)[O-])ccc2OC(F)F)ccc1[O-] ZINC000255445770 934876864 /nfs/dbraw/zinc/87/68/64/934876864.db2.gz IVLXEKSKNQNLEE-HYXAFXHYSA-N -1 3 365.288 3.807 20 30 FHEDHM N#Cc1cccc(COc2ccc(NC(=O)c3cccc4n[n-]nc43)cc2)c1 ZINC000187736836 935611153 /nfs/dbraw/zinc/61/11/53/935611153.db2.gz CTZFZUUODLUMKG-UHFFFAOYSA-N -1 3 369.384 3.661 20 30 FHEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3coc(C4CCOCC4)n3)sc2C1 ZINC000582737373 936040970 /nfs/dbraw/zinc/04/09/70/936040970.db2.gz AKMZSMHVRWLSOX-LLVKDONJSA-N -1 3 371.462 3.879 20 30 FHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000255553479 936162777 /nfs/dbraw/zinc/16/27/77/936162777.db2.gz DZMYWHSUMGGGMZ-ADFHHPQOSA-N -1 3 368.216 3.623 20 30 FHEDHM Cc1ccc2oc(C([O-])=C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2n1 ZINC000179617188 939896523 /nfs/dbraw/zinc/89/65/23/939896523.db2.gz YNKDZZCESHQFSS-NSHDSACASA-N -1 3 371.755 3.890 20 30 FHEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Cl ZINC000613344472 940615647 /nfs/dbraw/zinc/61/56/47/940615647.db2.gz KKMFYNOSXHAGLY-UHFFFAOYSA-N -1 3 350.827 3.638 20 30 FHEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C#N)cn3C)n2)cc1 ZINC000176112724 940986630 /nfs/dbraw/zinc/98/66/30/940986630.db2.gz DOBSZEVEDNCNLR-HNNXBMFYSA-N -1 3 362.414 3.519 20 30 FHEDHM COC(=O)NCc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000255913478 941024392 /nfs/dbraw/zinc/02/43/92/941024392.db2.gz JOXJGDAEGMXTQA-UHFFFAOYSA-N -1 3 363.211 3.761 20 30 FHEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(F)c1 ZINC000177620038 941139763 /nfs/dbraw/zinc/13/97/63/941139763.db2.gz CDDWXDIDLWHYCV-UHFFFAOYSA-N -1 3 358.316 3.825 20 30 FHEDHM N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc([O-])c2F)c1 ZINC000128385791 942213273 /nfs/dbraw/zinc/21/32/73/942213273.db2.gz NHHXZASCBCVLKL-UHFFFAOYSA-N -1 3 352.321 3.827 20 30 FHEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1Cl ZINC000501085154 942291184 /nfs/dbraw/zinc/29/11/84/942291184.db2.gz HKUIMWYTMLJSCD-UHFFFAOYSA-N -1 3 357.841 3.915 20 30 FHEDHM COc1cccc(SC)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000416124232 942371379 /nfs/dbraw/zinc/37/13/79/942371379.db2.gz SVAWFEHOGSUMQK-UHFFFAOYSA-N -1 3 371.462 3.578 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1C(F)(F)F ZINC000435178781 943232947 /nfs/dbraw/zinc/23/29/47/943232947.db2.gz SJKYLVJGEVPFBG-UHFFFAOYSA-N -1 3 362.279 3.656 20 30 FHEDHM C=CCOc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1OC ZINC000417615747 943765697 /nfs/dbraw/zinc/76/56/97/943765697.db2.gz GXGQUGZJTLRHEC-MSOLQXFVSA-N -1 3 353.418 3.663 20 30 FHEDHM COCCSc1ccc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000728786317 944199883 /nfs/dbraw/zinc/19/98/83/944199883.db2.gz YOLKDBOAYLKKPO-PUFAJPFRSA-N -1 3 360.479 3.507 20 30 FHEDHM Cc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1[O-] ZINC000436522861 944391212 /nfs/dbraw/zinc/39/12/12/944391212.db2.gz XTUOCPNGEHBMHS-UHFFFAOYSA-N -1 3 350.296 3.766 20 30 FHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123848157 944444472 /nfs/dbraw/zinc/44/44/72/944444472.db2.gz FKLKWXGVDWJPIK-AWEZNQCLSA-N -1 3 367.792 3.572 20 30 FHEDHM CC(C)c1ccc([C@H](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735925093 944715308 /nfs/dbraw/zinc/71/53/08/944715308.db2.gz XQRIUCJTKXZNBB-CQSZACIVSA-N -1 3 374.448 3.994 20 30 FHEDHM CC(C)c1ccc([C@H](C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735925093 944715316 /nfs/dbraw/zinc/71/53/16/944715316.db2.gz XQRIUCJTKXZNBB-CQSZACIVSA-N -1 3 374.448 3.994 20 30 FHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000840711156 945714182 /nfs/dbraw/zinc/71/41/82/945714182.db2.gz WUXCRSNVUIUDGN-QHZLGBHASA-N -1 3 361.239 3.889 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(-c2ccncc2)cc1 ZINC000822922706 946219725 /nfs/dbraw/zinc/21/97/25/946219725.db2.gz IPIPMLAABGHNNQ-AATRIKPKSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(-c2ccncc2)cc1 ZINC000822922706 946219736 /nfs/dbraw/zinc/21/97/36/946219736.db2.gz IPIPMLAABGHNNQ-AATRIKPKSA-N -1 3 359.414 3.886 20 30 FHEDHM Cc1nc(C)c(CC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)c(=O)[n-]1 ZINC000428357726 946551065 /nfs/dbraw/zinc/55/10/65/946551065.db2.gz ASPYLFDXQXMDDS-UHFFFAOYSA-N -1 3 374.400 3.644 20 30 FHEDHM N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2)nc1 ZINC000610011745 946851688 /nfs/dbraw/zinc/85/16/88/946851688.db2.gz OYKOKXKKRLGVJL-UHFFFAOYSA-N -1 3 363.348 3.520 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@H]1CC(C)C ZINC000129781057 946915102 /nfs/dbraw/zinc/91/51/02/946915102.db2.gz CEKSHZPEISJJMH-KRWDZBQOSA-N -1 3 357.498 3.613 20 30 FHEDHM C=C1CCC(C(=O)Nc2sc3c(c2-c2nnn[n-]2)C(C)(C)CC3)CC1 ZINC001573296762 947054706 /nfs/dbraw/zinc/05/47/06/947054706.db2.gz ZZBCMRPRFFPXAP-UHFFFAOYSA-N -1 3 357.483 3.837 20 30 FHEDHM C=C1CCC(C(=O)Nc2sc3c(c2-c2nn[n-]n2)C(C)(C)CC3)CC1 ZINC001573296762 947054713 /nfs/dbraw/zinc/05/47/13/947054713.db2.gz ZZBCMRPRFFPXAP-UHFFFAOYSA-N -1 3 357.483 3.837 20 30 FHEDHM C=CC(C)(C)CCCNC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573305679 947157888 /nfs/dbraw/zinc/15/78/88/947157888.db2.gz FPWXNTAPKWNBIQ-UHFFFAOYSA-N -1 3 370.501 3.781 20 30 FHEDHM C=CC(C)(C)CCCNC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573305679 947157896 /nfs/dbraw/zinc/15/78/96/947157896.db2.gz FPWXNTAPKWNBIQ-UHFFFAOYSA-N -1 3 370.501 3.781 20 30 FHEDHM CCC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C1CCCCC1 ZINC000331219566 947373240 /nfs/dbraw/zinc/37/32/40/947373240.db2.gz SXOHMJNVPZKXKO-OAHLLOKOSA-N -1 3 356.488 3.550 20 30 FHEDHM C=CCC1(NC(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCCC1 ZINC001573328900 947413340 /nfs/dbraw/zinc/41/33/40/947413340.db2.gz DKVZELHHIYPPSR-UHFFFAOYSA-N -1 3 374.876 3.598 20 30 FHEDHM C=CCC1(NC(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCCC1 ZINC001573328900 947413347 /nfs/dbraw/zinc/41/33/47/947413347.db2.gz DKVZELHHIYPPSR-UHFFFAOYSA-N -1 3 374.876 3.598 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](CC)C(C)(C)C ZINC001573342242 947539381 /nfs/dbraw/zinc/53/93/81/947539381.db2.gz VVJKPPGCWPJYCG-KRWDZBQOSA-N -1 3 355.486 3.844 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](CC)C(C)(C)C ZINC001573342242 947539390 /nfs/dbraw/zinc/53/93/90/947539390.db2.gz VVJKPPGCWPJYCG-KRWDZBQOSA-N -1 3 355.486 3.844 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1Cl ZINC000826190734 947581923 /nfs/dbraw/zinc/58/19/23/947581923.db2.gz LUYSWXPUXKSXCL-KXFIGUGUSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1Cl ZINC000826190734 947581936 /nfs/dbraw/zinc/58/19/36/947581936.db2.gz LUYSWXPUXKSXCL-KXFIGUGUSA-N -1 3 358.760 3.564 20 30 FHEDHM O=C([O-])CC[C@H](CNCc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000663261224 947582533 /nfs/dbraw/zinc/58/25/33/947582533.db2.gz HDYAZKIMWHTUFI-SECBINFHSA-N -1 3 361.257 3.977 20 30 FHEDHM O=C([O-])CC[C@@H](CNCc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000663262981 947592373 /nfs/dbraw/zinc/59/23/73/947592373.db2.gz WOVNRPIZMLEGCG-JTQLQIEISA-N -1 3 361.257 3.977 20 30 FHEDHM O=C(C=Cc1cc2cc(F)ccc2o1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399841 948215402 /nfs/dbraw/zinc/21/54/02/948215402.db2.gz HLZMGQDAVRUFSX-HYXAFXHYSA-N -1 3 352.300 3.787 20 30 FHEDHM O=C(C=Cc1cc2cc(F)ccc2o1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399841 948215416 /nfs/dbraw/zinc/21/54/16/948215416.db2.gz HLZMGQDAVRUFSX-HYXAFXHYSA-N -1 3 352.300 3.787 20 30 FHEDHM C=CCCC[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001464882392 948531186 /nfs/dbraw/zinc/53/11/86/948531186.db2.gz NHIIYPOOMFQTEY-IBGZPJMESA-N -1 3 361.449 3.623 20 30 FHEDHM C=CCCC[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001464882392 948531192 /nfs/dbraw/zinc/53/11/92/948531192.db2.gz NHIIYPOOMFQTEY-IBGZPJMESA-N -1 3 361.449 3.623 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC000541827051 567927502 /nfs/dbraw/zinc/92/75/02/567927502.db2.gz MOYWCWITFFVNHE-CQSZACIVSA-N -1 3 374.771 3.794 20 30 FHEDHM C[C@@H]1[C@H](C(=O)[N-][C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)C1(F)F ZINC000461105287 567966992 /nfs/dbraw/zinc/96/69/92/567966992.db2.gz AFQUQGIXSCXCHL-DRTBCBBWSA-N -1 3 359.241 3.909 20 30 FHEDHM CCCc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1cccc(Cl)c1 ZINC000069580607 568096557 /nfs/dbraw/zinc/09/65/57/568096557.db2.gz SFIIYIXGDRTCCE-OAHLLOKOSA-N -1 3 365.824 3.758 20 30 FHEDHM COc1ccccc1N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)C ZINC000291728050 568282883 /nfs/dbraw/zinc/28/28/83/568282883.db2.gz RDECFOFOPGMAFS-UHFFFAOYSA-N -1 3 367.449 3.659 20 30 FHEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)C(c1ccccc1)c1ccccc1 ZINC000819718201 607252482 /nfs/dbraw/zinc/25/24/82/607252482.db2.gz AIRFMFFLLDNMQF-UHFFFAOYSA-N -1 3 368.444 3.774 20 30 FHEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)C(c1ccccc1)c1ccccc1 ZINC000819718201 607252483 /nfs/dbraw/zinc/25/24/83/607252483.db2.gz AIRFMFFLLDNMQF-UHFFFAOYSA-N -1 3 368.444 3.774 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)CC1CCCC1 ZINC000735419612 598903827 /nfs/dbraw/zinc/90/38/27/598903827.db2.gz XWBWISDSMRPEFG-HNNXBMFYSA-N -1 3 353.470 3.598 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)CC1CCCC1 ZINC000735419612 598903828 /nfs/dbraw/zinc/90/38/28/598903828.db2.gz XWBWISDSMRPEFG-HNNXBMFYSA-N -1 3 353.470 3.598 20 30 FHEDHM C=CCN(CCc1ccccc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735419736 599048114 /nfs/dbraw/zinc/04/81/14/599048114.db2.gz ZJTIKZJLXIGMMU-UHFFFAOYSA-N -1 3 374.370 3.516 20 30 FHEDHM C=CCN(CCc1ccccc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735419736 599048117 /nfs/dbraw/zinc/04/81/17/599048117.db2.gz ZJTIKZJLXIGMMU-UHFFFAOYSA-N -1 3 374.370 3.516 20 30 FHEDHM CCN(CC)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821196592 599112404 /nfs/dbraw/zinc/11/24/04/599112404.db2.gz BMHNPBRLDJTTNV-GHRIWEEISA-N -1 3 373.460 3.925 20 30 FHEDHM CCN(CC)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821196592 599112408 /nfs/dbraw/zinc/11/24/08/599112408.db2.gz BMHNPBRLDJTTNV-GHRIWEEISA-N -1 3 373.460 3.925 20 30 FHEDHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735922635 599193715 /nfs/dbraw/zinc/19/37/15/599193715.db2.gz GFCKUNSLXATSLR-HKUYNNGSSA-N -1 3 372.432 3.604 20 30 FHEDHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735922635 599193717 /nfs/dbraw/zinc/19/37/17/599193717.db2.gz GFCKUNSLXATSLR-HKUYNNGSSA-N -1 3 372.432 3.604 20 30 FHEDHM C=CC[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000735409129 599203241 /nfs/dbraw/zinc/20/32/41/599203241.db2.gz BVIYBEJZTFNSID-CYBMUJFWSA-N -1 3 365.462 3.712 20 30 FHEDHM C=CC[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000735409129 599203244 /nfs/dbraw/zinc/20/32/44/599203244.db2.gz BVIYBEJZTFNSID-CYBMUJFWSA-N -1 3 365.462 3.712 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C=C/C1CCCCC1 ZINC000735419301 599247821 /nfs/dbraw/zinc/24/78/21/599247821.db2.gz RLVJRCRXPMGTDI-VAWYXSNFSA-N -1 3 351.454 3.518 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C=C/C1CCCCC1 ZINC000735419301 599247823 /nfs/dbraw/zinc/24/78/23/599247823.db2.gz RLVJRCRXPMGTDI-VAWYXSNFSA-N -1 3 351.454 3.518 20 30 FHEDHM Cc1c2c(nc(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c1C#N)CCC2 ZINC000737201292 599288543 /nfs/dbraw/zinc/28/85/43/599288543.db2.gz CAMZHQUDBOOVEB-GFCCVEGCSA-N -1 3 362.462 3.784 20 30 FHEDHM Cc1c2c(nc(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c1C#N)CCC2 ZINC000737201292 599288545 /nfs/dbraw/zinc/28/85/45/599288545.db2.gz CAMZHQUDBOOVEB-GFCCVEGCSA-N -1 3 362.462 3.784 20 30 FHEDHM FC(F)(F)c1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000737630973 598439048 /nfs/dbraw/zinc/43/90/48/598439048.db2.gz ACAUFBQTWKFNGQ-UHFFFAOYSA-N -1 3 366.734 3.985 20 30 FHEDHM O=C(C=Cc1cnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737808497 598439767 /nfs/dbraw/zinc/43/97/67/598439767.db2.gz UNIKOPKYZWLNKC-ZHACJKMWSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1cnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737808497 598439768 /nfs/dbraw/zinc/43/97/68/598439768.db2.gz UNIKOPKYZWLNKC-ZHACJKMWSA-N -1 3 359.414 3.886 20 30 FHEDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000736140384 598572787 /nfs/dbraw/zinc/57/27/87/598572787.db2.gz VGJDRFRHUAVLSX-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000736140384 598572788 /nfs/dbraw/zinc/57/27/88/598572788.db2.gz VGJDRFRHUAVLSX-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM N#Cc1ccc(OCCCSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737722508 598697202 /nfs/dbraw/zinc/69/72/02/598697202.db2.gz VRICXTRZOTZFJW-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM N#Cc1ccc(OCCCSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737722508 598697204 /nfs/dbraw/zinc/69/72/04/598697204.db2.gz VRICXTRZOTZFJW-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM Oc1cccc(C=Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1O ZINC000738400458 598788361 /nfs/dbraw/zinc/78/83/61/598788361.db2.gz IDLZXFDTUVRATA-UHFFFAOYSA-N -1 3 373.372 3.821 20 30 FHEDHM CC(C)Oc1ccc(N=Cc2cc3ccccc3[nH]c2=O)cc1-c1nnn[n-]1 ZINC000820155475 607367195 /nfs/dbraw/zinc/36/71/95/607367195.db2.gz QKZUMDXLPLCWON-UHFFFAOYSA-N -1 3 374.404 3.658 20 30 FHEDHM CC(C)Oc1ccc(N=Cc2cc3ccccc3[nH]c2=O)cc1-c1nn[n-]n1 ZINC000820155475 607367197 /nfs/dbraw/zinc/36/71/97/607367197.db2.gz QKZUMDXLPLCWON-UHFFFAOYSA-N -1 3 374.404 3.658 20 30 FHEDHM O=C(C=Cc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737795834 598820720 /nfs/dbraw/zinc/82/07/20/598820720.db2.gz MHWMBMZYRIVGON-VMPITWQZSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737795834 598820722 /nfs/dbraw/zinc/82/07/22/598820722.db2.gz MHWMBMZYRIVGON-VMPITWQZSA-N -1 3 362.286 3.921 20 30 FHEDHM N#CC1(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCCC1 ZINC000737678460 598821897 /nfs/dbraw/zinc/82/18/97/598821897.db2.gz IHAWPOIJBAANDL-UHFFFAOYSA-N -1 3 374.404 3.681 20 30 FHEDHM N#CC1(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCCC1 ZINC000737678460 598821899 /nfs/dbraw/zinc/82/18/99/598821899.db2.gz IHAWPOIJBAANDL-UHFFFAOYSA-N -1 3 374.404 3.681 20 30 FHEDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000820455768 599353942 /nfs/dbraw/zinc/35/39/42/599353942.db2.gz NCMRZNPPSBDGKD-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000820455768 599353945 /nfs/dbraw/zinc/35/39/45/599353945.db2.gz NCMRZNPPSBDGKD-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000736645170 599368482 /nfs/dbraw/zinc/36/84/82/599368482.db2.gz WXUXCWFWQZBELZ-VURMDHGXSA-N -1 3 354.797 3.815 20 30 FHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000736645170 599368484 /nfs/dbraw/zinc/36/84/84/599368484.db2.gz WXUXCWFWQZBELZ-VURMDHGXSA-N -1 3 354.797 3.815 20 30 FHEDHM CC(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735922922 599459859 /nfs/dbraw/zinc/45/98/59/599459859.db2.gz OMDOUPIDEVCLRP-HJWRWDBZSA-N -1 3 358.405 3.534 20 30 FHEDHM CC(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735922922 599459862 /nfs/dbraw/zinc/45/98/62/599459862.db2.gz OMDOUPIDEVCLRP-HJWRWDBZSA-N -1 3 358.405 3.534 20 30 FHEDHM N#CCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC000739089140 599928544 /nfs/dbraw/zinc/92/85/44/599928544.db2.gz YVHGBPLLROMEEP-INIZCTEOSA-N -1 3 364.323 3.523 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)cc1 ZINC000822923774 607455461 /nfs/dbraw/zinc/45/54/61/607455461.db2.gz UFSFORUIMZJBND-VMPITWQZSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)cc1 ZINC000822923774 607455462 /nfs/dbraw/zinc/45/54/62/607455462.db2.gz UFSFORUIMZJBND-VMPITWQZSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Br)c1 ZINC000822924129 607455478 /nfs/dbraw/zinc/45/54/78/607455478.db2.gz YFIFTMUNYFBKPT-SREVYHEPSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Br)c1 ZINC000822924129 607455480 /nfs/dbraw/zinc/45/54/80/607455480.db2.gz YFIFTMUNYFBKPT-SREVYHEPSA-N -1 3 373.185 3.664 20 30 FHEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000736663200 600590271 /nfs/dbraw/zinc/59/02/71/600590271.db2.gz WROARPXTDRBWBI-BZNIZROVSA-N -1 3 359.223 3.797 20 30 FHEDHM CCCOc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737031147 600594732 /nfs/dbraw/zinc/59/47/32/600594732.db2.gz ICFCPOIUSFNQQB-VBKZILBWSA-N -1 3 368.433 3.832 20 30 FHEDHM O=C1C(=Cc2cncc3ccccc23)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504586 607460685 /nfs/dbraw/zinc/46/06/85/607460685.db2.gz RPPXLGNTNSDQAK-UVTDQMKNSA-N -1 3 353.385 3.627 20 30 FHEDHM O=C1C(=Cc2cncc3ccccc23)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504586 607460686 /nfs/dbraw/zinc/46/06/86/607460686.db2.gz RPPXLGNTNSDQAK-UVTDQMKNSA-N -1 3 353.385 3.627 20 30 FHEDHM COc1cccc2cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3F)oc21 ZINC000821877627 607458537 /nfs/dbraw/zinc/45/85/37/607458537.db2.gz NWZLEJCKBYOTPI-FPLPWBNLSA-N -1 3 364.336 3.657 20 30 FHEDHM COc1cccc2cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3F)oc21 ZINC000821877627 607458539 /nfs/dbraw/zinc/45/85/39/607458539.db2.gz NWZLEJCKBYOTPI-FPLPWBNLSA-N -1 3 364.336 3.657 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2s1 ZINC000822924134 607459113 /nfs/dbraw/zinc/45/91/13/607459113.db2.gz YGAAWOZFJXVDMF-FPLPWBNLSA-N -1 3 351.366 3.512 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2s1 ZINC000822924134 607459114 /nfs/dbraw/zinc/45/91/14/607459114.db2.gz YGAAWOZFJXVDMF-FPLPWBNLSA-N -1 3 351.366 3.512 20 30 FHEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)ccc1SC ZINC000821703051 607459365 /nfs/dbraw/zinc/45/93/65/607459365.db2.gz MOADLVMWDPFWSJ-FNORWQNLSA-N -1 3 370.409 3.632 20 30 FHEDHM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)ccc1SC ZINC000821703051 607459367 /nfs/dbraw/zinc/45/93/67/607459367.db2.gz MOADLVMWDPFWSJ-FNORWQNLSA-N -1 3 370.409 3.632 20 30 FHEDHM CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000829431123 601236105 /nfs/dbraw/zinc/23/61/05/601236105.db2.gz VGAYJGHPXQCIIO-JFIYKMOQSA-N -1 3 370.449 3.568 20 30 FHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000828765077 601236270 /nfs/dbraw/zinc/23/62/70/601236270.db2.gz VDUJWAYGCIJUTI-KMANFZQXSA-N -1 3 370.449 3.738 20 30 FHEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(Br)c1 ZINC000827716673 601299170 /nfs/dbraw/zinc/29/91/70/601299170.db2.gz AABVMFJUBJZCRB-MEDUHNTESA-N -1 3 359.223 3.797 20 30 FHEDHM CCCOc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000829528206 601301084 /nfs/dbraw/zinc/30/10/84/601301084.db2.gz SCLMIKAWPPGZHS-JLTOFOAXSA-N -1 3 368.433 3.832 20 30 FHEDHM COc1cccc(C=C2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832545259 602230555 /nfs/dbraw/zinc/23/05/55/602230555.db2.gz CJLLEKZRGJCKAD-OAQYLSRUSA-N -1 3 362.429 3.872 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826401306 607647027 /nfs/dbraw/zinc/64/70/27/607647027.db2.gz VDZZNVVWGKWHSZ-KHPPLWFESA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826401306 607647029 /nfs/dbraw/zinc/64/70/29/607647029.db2.gz VDZZNVVWGKWHSZ-KHPPLWFESA-N -1 3 353.385 3.825 20 30 FHEDHM Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833756956 604619201 /nfs/dbraw/zinc/61/92/01/604619201.db2.gz SBWSFCNYNUTTBQ-KRWDZBQOSA-N -1 3 374.444 3.579 20 30 FHEDHM C[C@H](Oc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1)C(=O)[O-] ZINC000833538966 604775053 /nfs/dbraw/zinc/77/50/53/604775053.db2.gz FBDDSLKAIRPMNT-INIZCTEOSA-N -1 3 362.429 3.699 20 30 FHEDHM C[C@@H](CN=Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1 ZINC000820220451 606165597 /nfs/dbraw/zinc/16/55/97/606165597.db2.gz VFIBTWABANITGL-NSHDSACASA-N -1 3 371.242 3.831 20 30 FHEDHM C[C@@H](CN=Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000820220451 606165598 /nfs/dbraw/zinc/16/55/98/606165598.db2.gz VFIBTWABANITGL-NSHDSACASA-N -1 3 371.242 3.831 20 30 FHEDHM C=CC[C@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819734485 606275212 /nfs/dbraw/zinc/27/52/12/606275212.db2.gz PBYMURXXXMZNIW-ZDUSSCGKSA-N -1 3 365.462 3.712 20 30 FHEDHM C=CC[C@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819734485 606275213 /nfs/dbraw/zinc/27/52/13/606275213.db2.gz PBYMURXXXMZNIW-ZDUSSCGKSA-N -1 3 365.462 3.712 20 30 FHEDHM N#Cc1csc(C=C2CCC(=Cc3cc(-c4nnn[n-]4)cs3)C2=O)c1 ZINC000822846244 606302705 /nfs/dbraw/zinc/30/27/05/606302705.db2.gz RIYFSJTZOQIIMM-NKXDNZRASA-N -1 3 365.443 3.691 20 30 FHEDHM N#Cc1csc(C=C2CCC(=Cc3cc(-c4nn[n-]n4)cs3)C2=O)c1 ZINC000822846244 606302707 /nfs/dbraw/zinc/30/27/07/606302707.db2.gz RIYFSJTZOQIIMM-NKXDNZRASA-N -1 3 365.443 3.691 20 30 FHEDHM Cc1cc(Cl)cc2c1OCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000822201937 606305734 /nfs/dbraw/zinc/30/57/34/606305734.db2.gz CJDWNTODNWVUAH-OQFOIZHKSA-N -1 3 358.810 3.549 20 30 FHEDHM Cc1cc(Cl)cc2c1OCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000822201937 606305736 /nfs/dbraw/zinc/30/57/36/606305736.db2.gz CJDWNTODNWVUAH-OQFOIZHKSA-N -1 3 358.810 3.549 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(C(F)(F)F)c1 ZINC000822922018 606388225 /nfs/dbraw/zinc/38/82/25/606388225.db2.gz BUZNGFYMNYCOHQ-GQCTYLIASA-N -1 3 350.325 3.843 20 30 FHEDHM N#Cc1ccccc1SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822842676 606591389 /nfs/dbraw/zinc/59/13/89/606591389.db2.gz TTZDTNGIPSXDDU-UHFFFAOYSA-N -1 3 359.361 3.632 20 30 FHEDHM N#Cc1ccccc1SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822842676 606591391 /nfs/dbraw/zinc/59/13/91/606591391.db2.gz TTZDTNGIPSXDDU-UHFFFAOYSA-N -1 3 359.361 3.632 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822259299 606762169 /nfs/dbraw/zinc/76/21/69/606762169.db2.gz SUUYWJMHWUSSQE-BQYQJAHWSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822259299 606762170 /nfs/dbraw/zinc/76/21/70/606762170.db2.gz SUUYWJMHWUSSQE-BQYQJAHWSA-N -1 3 356.332 3.673 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc(Br)ccc1F ZINC000822922371 606836911 /nfs/dbraw/zinc/83/69/11/606836911.db2.gz GCJQUSDQOOJNPN-FPYGCLRLSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc(Br)ccc1F ZINC000822922371 606836912 /nfs/dbraw/zinc/83/69/12/606836912.db2.gz GCJQUSDQOOJNPN-FPYGCLRLSA-N -1 3 373.185 3.664 20 30 FHEDHM N#Cc1cccc(OCCCSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822837357 606841939 /nfs/dbraw/zinc/84/19/39/606841939.db2.gz LEVMJCWMZYHJTI-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM N#Cc1cccc(OCCCSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822837357 606841942 /nfs/dbraw/zinc/84/19/42/606841942.db2.gz LEVMJCWMZYHJTI-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1C ZINC000819745486 607010106 /nfs/dbraw/zinc/01/01/06/607010106.db2.gz GAPLAWDHJMCPMU-UHFFFAOYSA-N -1 3 367.840 3.657 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1C ZINC000819745486 607010107 /nfs/dbraw/zinc/01/01/07/607010107.db2.gz GAPLAWDHJMCPMU-UHFFFAOYSA-N -1 3 367.840 3.657 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(Cl)ccc1C ZINC000823914222 607792625 /nfs/dbraw/zinc/79/26/25/607792625.db2.gz DMDYJHFCSJYDRS-UHFFFAOYSA-N -1 3 367.840 3.657 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(Cl)ccc1C ZINC000823914222 607792626 /nfs/dbraw/zinc/79/26/26/607792626.db2.gz DMDYJHFCSJYDRS-UHFFFAOYSA-N -1 3 367.840 3.657 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)c(Br)c1 ZINC000826402232 607884535 /nfs/dbraw/zinc/88/45/35/607884535.db2.gz PFIURHATBCUDPK-SOFGYWHQSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)c(Br)c1 ZINC000826402232 607884536 /nfs/dbraw/zinc/88/45/36/607884536.db2.gz PFIURHATBCUDPK-SOFGYWHQSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC(F)F)cc1 ZINC000826400591 607916084 /nfs/dbraw/zinc/91/60/84/607916084.db2.gz BYMULUJDLVZHLI-WAPJZHGLSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC(F)F)cc1 ZINC000826400591 607916085 /nfs/dbraw/zinc/91/60/85/607916085.db2.gz BYMULUJDLVZHLI-WAPJZHGLSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000826400965 607916163 /nfs/dbraw/zinc/91/61/63/607916163.db2.gz LZMPGGNLZIHQOR-WAPJZHGLSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000826400965 607916164 /nfs/dbraw/zinc/91/61/64/607916164.db2.gz LZMPGGNLZIHQOR-WAPJZHGLSA-N -1 3 362.286 3.921 20 30 FHEDHM CC(=NNc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958825 608094618 /nfs/dbraw/zinc/09/46/18/608094618.db2.gz YCEMVQVWBPKMKQ-UHFFFAOYSA-N -1 3 363.244 3.527 20 30 FHEDHM COc1ccc(C=C2C(=O)c3cccc4c3[C@@H]2CCC4)cc1-c1nnn[n-]1 ZINC000826190858 608109320 /nfs/dbraw/zinc/10/93/20/608109320.db2.gz PJHLASDSTVDXPL-KWZJRMENSA-N -1 3 358.401 3.575 20 30 FHEDHM COc1ccc(C=C2C(=O)c3cccc4c3[C@@H]2CCC4)cc1-c1nn[n-]n1 ZINC000826190858 608109321 /nfs/dbraw/zinc/10/93/21/608109321.db2.gz PJHLASDSTVDXPL-KWZJRMENSA-N -1 3 358.401 3.575 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C2CC2)cc1 ZINC000823909600 608271579 /nfs/dbraw/zinc/27/15/79/608271579.db2.gz KSGXELKCRLKHRZ-UHFFFAOYSA-N -1 3 374.448 3.964 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C2CC2)cc1 ZINC000823909600 608271580 /nfs/dbraw/zinc/27/15/80/608271580.db2.gz KSGXELKCRLKHRZ-UHFFFAOYSA-N -1 3 374.448 3.964 20 30 FHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(Cl)c(F)c1 ZINC000823953720 608536509 /nfs/dbraw/zinc/53/65/09/608536509.db2.gz NBYUOGIVPCYRSE-UHFFFAOYSA-N -1 3 366.187 3.544 20 30 FHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(Cl)c(F)c1 ZINC000823953720 608536511 /nfs/dbraw/zinc/53/65/11/608536511.db2.gz NBYUOGIVPCYRSE-UHFFFAOYSA-N -1 3 366.187 3.544 20 30 FHEDHM Clc1oc2ccccc2c1C=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826350471 608536535 /nfs/dbraw/zinc/53/65/35/608536535.db2.gz XUGBGYQEWOIWEN-UHFFFAOYSA-N -1 3 374.191 3.761 20 30 FHEDHM Clc1oc2ccccc2c1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826350471 608536536 /nfs/dbraw/zinc/53/65/36/608536536.db2.gz XUGBGYQEWOIWEN-UHFFFAOYSA-N -1 3 374.191 3.761 20 30 FHEDHM Fc1ccc([C@H]2CCCC2N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826374227 608538154 /nfs/dbraw/zinc/53/81/54/608538154.db2.gz QTYNIRKLSBDKEH-CYBMUJFWSA-N -1 3 371.807 3.790 20 30 FHEDHM Fc1ccc([C@H]2CCCC2N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826374227 608538155 /nfs/dbraw/zinc/53/81/55/608538155.db2.gz QTYNIRKLSBDKEH-CYBMUJFWSA-N -1 3 371.807 3.790 20 30 FHEDHM CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823961836 609157698 /nfs/dbraw/zinc/15/76/98/609157698.db2.gz AFZMZQRXTVAKRK-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823961836 609157700 /nfs/dbraw/zinc/15/77/00/609157700.db2.gz AFZMZQRXTVAKRK-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM O=C(C=Cc1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400671 609270982 /nfs/dbraw/zinc/27/09/82/609270982.db2.gz DVDMHHBVQVPXPG-QPJJXVBHSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400671 609270985 /nfs/dbraw/zinc/27/09/85/609270985.db2.gz DVDMHHBVQVPXPG-QPJJXVBHSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400625 609272425 /nfs/dbraw/zinc/27/24/25/609272425.db2.gz CSZVETWTUXQPNQ-FPYGCLRLSA-N -1 3 374.322 3.546 20 30 FHEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400625 609272426 /nfs/dbraw/zinc/27/24/26/609272426.db2.gz CSZVETWTUXQPNQ-FPYGCLRLSA-N -1 3 374.322 3.546 20 30 FHEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826295526 609272517 /nfs/dbraw/zinc/27/25/17/609272517.db2.gz LETQQHLSJGTAOY-VURMDHGXSA-N -1 3 374.379 3.600 20 30 FHEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826295526 609272519 /nfs/dbraw/zinc/27/25/19/609272519.db2.gz LETQQHLSJGTAOY-VURMDHGXSA-N -1 3 374.379 3.600 20 30 FHEDHM CC(=NNc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962646 609273524 /nfs/dbraw/zinc/27/35/24/609273524.db2.gz OCAPQJXRUXQRQU-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM CC(=NNc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962646 609273525 /nfs/dbraw/zinc/27/35/25/609273525.db2.gz OCAPQJXRUXQRQU-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM Cc1cccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1OC(F)F ZINC000826297628 609309838 /nfs/dbraw/zinc/30/98/38/609309838.db2.gz NHEWZVAFCRNXJD-CMDGGOBGSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1cccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1OC(F)F ZINC000826297628 609309840 /nfs/dbraw/zinc/30/98/40/609309840.db2.gz NHEWZVAFCRNXJD-CMDGGOBGSA-N -1 3 356.332 3.673 20 30 FHEDHM N#Cc1ccc(SCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826386212 609311682 /nfs/dbraw/zinc/31/16/82/609311682.db2.gz ULODBKSSRXOEHC-UHFFFAOYSA-N -1 3 372.251 3.793 20 30 FHEDHM N#Cc1ccc(SCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826386212 609311683 /nfs/dbraw/zinc/31/16/83/609311683.db2.gz ULODBKSSRXOEHC-UHFFFAOYSA-N -1 3 372.251 3.793 20 30 FHEDHM Clc1cc(NN=Cc2cnc(C3CCC3)s2)ccc1-c1nnn[n-]1 ZINC000826351499 609471876 /nfs/dbraw/zinc/47/18/76/609471876.db2.gz OWFSOMSIJFCGEH-UHFFFAOYSA-N -1 3 359.846 3.690 20 30 FHEDHM Clc1cc(NN=Cc2cnc(C3CCC3)s2)ccc1-c1nn[n-]n1 ZINC000826351499 609471878 /nfs/dbraw/zinc/47/18/78/609471878.db2.gz OWFSOMSIJFCGEH-UHFFFAOYSA-N -1 3 359.846 3.690 20 30 FHEDHM CCc1nc(C)c(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000825746537 609475544 /nfs/dbraw/zinc/47/55/44/609475544.db2.gz ZKLUAXSZLZRYKL-UHFFFAOYSA-N -1 3 361.862 3.684 20 30 FHEDHM CCc1nc(C)c(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000825746537 609475548 /nfs/dbraw/zinc/47/55/48/609475548.db2.gz ZKLUAXSZLZRYKL-UHFFFAOYSA-N -1 3 361.862 3.684 20 30 FHEDHM N#Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1C(F)(F)F ZINC000826385284 609480155 /nfs/dbraw/zinc/48/01/55/609480155.db2.gz FNQKIEMPKKDKLN-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM N#Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1C(F)(F)F ZINC000826385284 609480158 /nfs/dbraw/zinc/48/01/58/609480158.db2.gz FNQKIEMPKKDKLN-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM C#CCCCCCC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823842062 609506297 /nfs/dbraw/zinc/50/62/97/609506297.db2.gz XRUYDYOVAOEHSK-UHFFFAOYSA-N -1 3 366.450 3.512 20 30 FHEDHM C#CCCCCCC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823842062 609506298 /nfs/dbraw/zinc/50/62/98/609506298.db2.gz XRUYDYOVAOEHSK-UHFFFAOYSA-N -1 3 366.450 3.512 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000286335885 927821826 /nfs/dbraw/zinc/82/18/26/927821826.db2.gz LSZUCJWEMABPBW-XOBRGWDASA-N -1 3 363.461 3.818 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000162659765 937230274 /nfs/dbraw/zinc/23/02/74/937230274.db2.gz WWOTYQBPWVXCID-RBZFPXEDSA-N -1 3 363.461 3.551 20 30 FHEDHM CCOc1cc(/C=C\C(=O)c2cn(-c3ccccc3)nn2)cc(Cl)c1[O-] ZINC000255171560 930278693 /nfs/dbraw/zinc/27/86/93/930278693.db2.gz NNLGTGQHCDHKPE-HJWRWDBZSA-N -1 3 369.808 3.921 20 30 FHEDHM Cc1ccc(C#N)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000178241811 932946885 /nfs/dbraw/zinc/94/68/85/932946885.db2.gz TWIIFBJUOCTMFW-UHFFFAOYSA-N -1 3 360.211 3.657 20 30 FHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(F)c1 ZINC000135374511 933355859 /nfs/dbraw/zinc/35/58/59/933355859.db2.gz ZGQTYEXLASOVEM-UHFFFAOYSA-N -1 3 362.279 3.656 20 30 FHEDHM O=C(Nc1cccc(N=Cc2ccc(O)c([O-])c2O)c1)c1cccs1 ZINC000255427905 934661965 /nfs/dbraw/zinc/66/19/65/934661965.db2.gz GYZRGBXVLLYKGG-UHFFFAOYSA-N -1 3 354.387 3.868 20 30 FHEDHM CCn1ccnc1C(C#N)=C([O-])c1c(C)c(C)sc1Br ZINC001349701334 934840821 /nfs/dbraw/zinc/84/08/21/934840821.db2.gz DCQWSTRHHHSHLD-JTQLQIEISA-N -1 3 352.257 3.834 20 30 FHEDHM C[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000472118409 935078260 /nfs/dbraw/zinc/07/82/60/935078260.db2.gz UGFVBWRNBMCMSZ-HNNXBMFYSA-N -1 3 372.428 3.886 20 30 FHEDHM N#CC(=C([O-])C=Cc1nc2ccccc2s1)c1nnc2n1CCCCC2 ZINC000255472710 935104151 /nfs/dbraw/zinc/10/41/51/935104151.db2.gz VBIOWXRXOWHZLR-ASCRHOAZSA-N -1 3 363.446 3.504 20 30 FHEDHM O=C(COC(F)F)[N-][C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000582305742 935506956 /nfs/dbraw/zinc/50/69/56/935506956.db2.gz LZBZGRLPIHRIGA-SECBINFHSA-N -1 3 367.192 3.544 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccccc2)cs1 ZINC000737796475 945127529 /nfs/dbraw/zinc/12/75/29/945127529.db2.gz OZGRZBVHZWWVCH-FLIBITNWSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)cs1 ZINC000737796475 945127536 /nfs/dbraw/zinc/12/75/36/945127536.db2.gz OZGRZBVHZWWVCH-FLIBITNWSA-N -1 3 359.414 3.886 20 30 FHEDHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(F)c1 ZINC000127946892 935858800 /nfs/dbraw/zinc/85/88/00/935858800.db2.gz WJXYJHZKKJZMMI-UHFFFAOYSA-N -1 3 368.817 3.939 20 30 FHEDHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccc(C#N)cc1 ZINC000118170825 938256884 /nfs/dbraw/zinc/25/68/84/938256884.db2.gz JUDNGQDUGAIUEV-CYBMUJFWSA-N -1 3 373.441 3.834 20 30 FHEDHM Cc1cccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1F ZINC000278682689 938647330 /nfs/dbraw/zinc/64/73/30/938647330.db2.gz CALUMDYPFIQVTE-UHFFFAOYSA-N -1 3 352.369 3.558 20 30 FHEDHM C#CCCCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000179605546 939894104 /nfs/dbraw/zinc/89/41/04/939894104.db2.gz MZLBWONFXOLCQL-UHFFFAOYSA-N -1 3 370.474 3.928 20 30 FHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(C(C)=O)c2)cc1 ZINC000892502130 940115303 /nfs/dbraw/zinc/11/53/03/940115303.db2.gz VZTJHAMKOPNLAU-YJYMSZOUSA-N -1 3 363.417 3.759 20 30 FHEDHM N#C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Br)cc1 ZINC000431782031 940494756 /nfs/dbraw/zinc/49/47/56/940494756.db2.gz BYEPBKJCOYZINS-AWEZNQCLSA-N -1 3 365.614 3.803 20 30 FHEDHM COc1cc(C(=O)/C=C/c2c(C3CC3)nc3sccn23)c(OC)cc1[O-] ZINC000180562939 941048258 /nfs/dbraw/zinc/04/82/58/941048258.db2.gz GJDLAWJEUZSVNW-AATRIKPKSA-N -1 3 370.430 3.892 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)c1c(F)cccc1F ZINC000513621317 942042944 /nfs/dbraw/zinc/04/29/44/942042944.db2.gz DOOQPIMIEQGPLJ-ZDUSSCGKSA-N -1 3 373.403 3.706 20 30 FHEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000416338354 942687819 /nfs/dbraw/zinc/68/78/19/942687819.db2.gz DFBIVIYWUPOLLJ-IBGZPJMESA-N -1 3 352.409 3.919 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)CCC2(C)C ZINC000421632999 942709901 /nfs/dbraw/zinc/70/99/01/942709901.db2.gz TWNDRNPGIJWEKB-UHFFFAOYSA-N -1 3 370.478 3.527 20 30 FHEDHM N#Cc1csc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000417577763 943721662 /nfs/dbraw/zinc/72/16/62/943721662.db2.gz KCLJMSXFBRMCLU-AWEZNQCLSA-N -1 3 354.353 3.944 20 30 FHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000436095222 944025622 /nfs/dbraw/zinc/02/56/22/944025622.db2.gz AKNQQNNDIDAPFQ-UHFFFAOYSA-N -1 3 358.810 3.808 20 30 FHEDHM COCCSc1ccc([C@H](C)/N=C\c2c([O-])c(C)ncc2CO)cc1 ZINC000728786315 944199426 /nfs/dbraw/zinc/19/94/26/944199426.db2.gz YOLKDBOAYLKKPO-GMDDEGIZSA-N -1 3 360.479 3.507 20 30 FHEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000330168093 944341728 /nfs/dbraw/zinc/34/17/28/944341728.db2.gz ZRGHVZJODGRHOB-BLLLJJGKSA-N -1 3 350.344 3.574 20 30 FHEDHM C=CC[C@H](CC)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436486190 944369936 /nfs/dbraw/zinc/36/99/36/944369936.db2.gz IMFCDZGWXBBNMP-AZUAARDMSA-N -1 3 366.461 3.724 20 30 FHEDHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c([O-])c1 ZINC000436838614 944704065 /nfs/dbraw/zinc/70/40/65/944704065.db2.gz JWFZJZZFVNGJMR-UHFFFAOYSA-N -1 3 363.417 3.536 20 30 FHEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(CC)cc2)cc1OC ZINC000426794221 944815396 /nfs/dbraw/zinc/81/53/96/944815396.db2.gz QONWWSFERDRXHT-HXUWFJFHSA-N -1 3 355.434 3.738 20 30 FHEDHM CCCCCCCCOCC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000736447277 944823141 /nfs/dbraw/zinc/82/31/41/944823141.db2.gz GEHXRRUYUFWAEP-UHFFFAOYSA-N -1 3 365.503 3.861 20 30 FHEDHM CCCCCCCCOCC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000736447277 944823151 /nfs/dbraw/zinc/82/31/51/944823151.db2.gz GEHXRRUYUFWAEP-UHFFFAOYSA-N -1 3 365.503 3.861 20 30 FHEDHM N#CCCN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)CC1CC1 ZINC000822810342 946194553 /nfs/dbraw/zinc/19/45/53/946194553.db2.gz FVKDWSRLCAYUOD-UHFFFAOYSA-N -1 3 358.449 3.659 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1OC(F)F ZINC000822924229 946219824 /nfs/dbraw/zinc/21/98/24/946219824.db2.gz ZGZBIQLLDBCESY-RQOWECAXSA-N -1 3 366.324 3.565 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1OC(F)F ZINC000822924229 946219837 /nfs/dbraw/zinc/21/98/37/946219837.db2.gz ZGZBIQLLDBCESY-RQOWECAXSA-N -1 3 366.324 3.565 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823504086 946439813 /nfs/dbraw/zinc/43/98/13/946439813.db2.gz LVCQHLKSWGJRHJ-CMDGGOBGSA-N -1 3 358.810 3.630 20 30 FHEDHM C=CCN(C(=O)c1ccc(C)cc1[O-])[C@H](Cc1ccccc1)C(=O)OCC ZINC000444383578 946460357 /nfs/dbraw/zinc/46/03/57/946460357.db2.gz PWRCPFAOEMXHHM-LJQANCHMSA-N -1 3 367.445 3.503 20 30 FHEDHM C=CCCC[C@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823893999 946501478 /nfs/dbraw/zinc/50/14/78/946501478.db2.gz DHNMKAPURFMLPQ-JTQLQIEISA-N -1 3 350.879 3.551 20 30 FHEDHM C=CCCC[C@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823893999 946501490 /nfs/dbraw/zinc/50/14/90/946501490.db2.gz DHNMKAPURFMLPQ-JTQLQIEISA-N -1 3 350.879 3.551 20 30 FHEDHM CC(C)(C#N)CCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000824059454 946571954 /nfs/dbraw/zinc/57/19/54/946571954.db2.gz WAVOTZJQDBQRAE-UHFFFAOYSA-N -1 3 361.405 3.630 20 30 FHEDHM CC(C)(C#N)CCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000824059454 946571960 /nfs/dbraw/zinc/57/19/60/946571960.db2.gz WAVOTZJQDBQRAE-UHFFFAOYSA-N -1 3 361.405 3.630 20 30 FHEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000824141356 946598402 /nfs/dbraw/zinc/59/84/02/946598402.db2.gz GDVKLFMPYADXJC-FNORWQNLSA-N -1 3 357.414 3.656 20 30 FHEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000824141356 946598410 /nfs/dbraw/zinc/59/84/10/946598410.db2.gz GDVKLFMPYADXJC-FNORWQNLSA-N -1 3 357.414 3.656 20 30 FHEDHM Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000328654762 946966716 /nfs/dbraw/zinc/96/67/16/946966716.db2.gz MBAPAEUIKIFRKW-YJBOKZPZSA-N -1 3 354.385 3.630 20 30 FHEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000088547133 947339355 /nfs/dbraw/zinc/33/93/55/947339355.db2.gz MEKBMMSIRXKTQL-UHFFFAOYSA-N -1 3 358.753 3.614 20 30 FHEDHM C[C@H]([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)c1cccc(O)c1 ZINC001211689196 947343095 /nfs/dbraw/zinc/34/30/95/947343095.db2.gz PUNXTCNNWOSPFY-NSHDSACASA-N -1 3 358.444 3.518 20 30 FHEDHM C=CCC1(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CCCCC1 ZINC001573325591 947359654 /nfs/dbraw/zinc/35/96/54/947359654.db2.gz FCUWCRKFCFZSHO-SFHVURJKSA-N -1 3 365.481 3.887 20 30 FHEDHM C=CCC1(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CCCCC1 ZINC001573325591 947359665 /nfs/dbraw/zinc/35/96/65/947359665.db2.gz FCUWCRKFCFZSHO-SFHVURJKSA-N -1 3 365.481 3.887 20 30 FHEDHM C=CCCC1(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573334611 947459518 /nfs/dbraw/zinc/45/95/18/947459518.db2.gz PJXWAQKRICHXFP-UHFFFAOYSA-N -1 3 371.510 3.602 20 30 FHEDHM C=CCCC1(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573334611 947459525 /nfs/dbraw/zinc/45/95/25/947459525.db2.gz PJXWAQKRICHXFP-UHFFFAOYSA-N -1 3 371.510 3.602 20 30 FHEDHM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000826177335 947551928 /nfs/dbraw/zinc/55/19/28/947551928.db2.gz DLLOEBASMIFAQL-VOTSOKGWSA-N -1 3 352.369 3.527 20 30 FHEDHM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000826177335 947551940 /nfs/dbraw/zinc/55/19/40/947551940.db2.gz DLLOEBASMIFAQL-VOTSOKGWSA-N -1 3 352.369 3.527 20 30 FHEDHM O=C([O-])CC[C@H](CNCc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000663262550 947593679 /nfs/dbraw/zinc/59/36/79/947593679.db2.gz UEAGRMJENLEHPF-SECBINFHSA-N -1 3 361.257 3.977 20 30 FHEDHM CCc1ccc(CC)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000075366474 948116562 /nfs/dbraw/zinc/11/65/62/948116562.db2.gz OQSLLWZMLGZFIW-UHFFFAOYSA-N -1 3 351.450 3.560 20 30 FHEDHM Cc1cc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)ccc1C#N ZINC000447307227 948732652 /nfs/dbraw/zinc/73/26/52/948732652.db2.gz URJJZMXYQDJOBE-UHFFFAOYSA-N -1 3 373.441 3.994 20 30 FHEDHM Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036744242 205020915 /nfs/dbraw/zinc/02/09/15/205020915.db2.gz RJBQUDFEMXMHCV-UHFFFAOYSA-N -1 3 358.368 3.514 20 30 FHEDHM Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036744242 205020919 /nfs/dbraw/zinc/02/09/19/205020919.db2.gz RJBQUDFEMXMHCV-UHFFFAOYSA-N -1 3 358.368 3.514 20 30 FHEDHM N#Cc1ccc(N2CCC(c3nc(-c4ccc([O-])cc4)no3)CC2)c(F)c1 ZINC000436681668 568280896 /nfs/dbraw/zinc/28/08/96/568280896.db2.gz NSEZEFAKAMEEOQ-UHFFFAOYSA-N -1 3 364.380 3.837 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000609474087 568315406 /nfs/dbraw/zinc/31/54/06/568315406.db2.gz LTAPWXMTIMZWSR-UHFFFAOYSA-N -1 3 354.797 3.764 20 30 FHEDHM CC(C)c1ccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c([O-])c1 ZINC000436696561 568364739 /nfs/dbraw/zinc/36/47/39/568364739.db2.gz IUYMFXRDQWCKBK-FQEVSTJZSA-N -1 3 350.418 3.601 20 30 FHEDHM N#Cc1ccc(C(=O)CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436699947 568370195 /nfs/dbraw/zinc/37/01/95/568370195.db2.gz SEURZBQWCBPAHO-UHFFFAOYSA-N -1 3 372.380 3.669 20 30 FHEDHM CC[C@@H](C#N)Oc1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736310458 598871394 /nfs/dbraw/zinc/87/13/94/598871394.db2.gz ZFTFNHHJFGLRKE-AWEZNQCLSA-N -1 3 368.828 3.813 20 30 FHEDHM CC[C@@H](C#N)Oc1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736310458 598871396 /nfs/dbraw/zinc/87/13/96/598871396.db2.gz ZFTFNHHJFGLRKE-AWEZNQCLSA-N -1 3 368.828 3.813 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCCCCCC1 ZINC000735418734 599071393 /nfs/dbraw/zinc/07/13/93/599071393.db2.gz HTWFSVAXYUJPJH-UHFFFAOYSA-N -1 3 353.470 3.742 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCCCCCC1 ZINC000735418734 599071394 /nfs/dbraw/zinc/07/13/94/599071394.db2.gz HTWFSVAXYUJPJH-UHFFFAOYSA-N -1 3 353.470 3.742 20 30 FHEDHM CC1(C)Cc2cc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)ccc2O1 ZINC000820606810 599112829 /nfs/dbraw/zinc/11/28/29/599112829.db2.gz FHUHWDYCGKKVDQ-DHDCSXOGSA-N -1 3 372.428 3.793 20 30 FHEDHM CC1(C)Cc2cc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)ccc2O1 ZINC000820606810 599112832 /nfs/dbraw/zinc/11/28/32/599112832.db2.gz FHUHWDYCGKKVDQ-DHDCSXOGSA-N -1 3 372.428 3.793 20 30 FHEDHM O=C1C(=Cc2ccccc2OCC2CC2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505196 599115477 /nfs/dbraw/zinc/11/54/77/599115477.db2.gz YWBOKYMSKVMERC-ATVHPVEESA-N -1 3 372.428 3.868 20 30 FHEDHM O=C1C(=Cc2ccccc2OCC2CC2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505196 599115478 /nfs/dbraw/zinc/11/54/78/599115478.db2.gz YWBOKYMSKVMERC-ATVHPVEESA-N -1 3 372.428 3.868 20 30 FHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)Oc2cc(Cl)cc(Cl)c21 ZINC000823504612 599116890 /nfs/dbraw/zinc/11/68/90/599116890.db2.gz RWLJGDUPWYJMTH-ACAGNQJTSA-N -1 3 359.172 3.790 20 30 FHEDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)Oc2cc(Cl)cc(Cl)c21 ZINC000823504612 599116892 /nfs/dbraw/zinc/11/68/92/599116892.db2.gz RWLJGDUPWYJMTH-ACAGNQJTSA-N -1 3 359.172 3.790 20 30 FHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc(OC(F)F)c1 ZINC000823505214 599117572 /nfs/dbraw/zinc/11/75/72/599117572.db2.gz ZERFXMZTSCNFCW-JYRVWZFOSA-N -1 3 368.343 3.681 20 30 FHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc(OC(F)F)c1 ZINC000823505214 599117574 /nfs/dbraw/zinc/11/75/74/599117574.db2.gz ZERFXMZTSCNFCW-JYRVWZFOSA-N -1 3 368.343 3.681 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)CCCCC ZINC000819743903 599145029 /nfs/dbraw/zinc/14/50/29/599145029.db2.gz SEKLOUWUMNMUFU-MRXNPFEDSA-N -1 3 355.486 3.988 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)CCCCC ZINC000819743903 599145031 /nfs/dbraw/zinc/14/50/31/599145031.db2.gz SEKLOUWUMNMUFU-MRXNPFEDSA-N -1 3 355.486 3.988 20 30 FHEDHM CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000736491699 599151665 /nfs/dbraw/zinc/15/16/65/599151665.db2.gz XKHCYLLPGABNHV-WMZJFQQLSA-N -1 3 364.405 3.560 20 30 FHEDHM CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000736491699 599151663 /nfs/dbraw/zinc/15/16/63/599151663.db2.gz XKHCYLLPGABNHV-WMZJFQQLSA-N -1 3 364.405 3.560 20 30 FHEDHM CCC[C@@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736421612 599190646 /nfs/dbraw/zinc/19/06/46/599190646.db2.gz DFCNQGDTYXRNGQ-AWEZNQCLSA-N -1 3 352.442 3.673 20 30 FHEDHM CCC[C@@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736421612 599190648 /nfs/dbraw/zinc/19/06/48/599190648.db2.gz DFCNQGDTYXRNGQ-AWEZNQCLSA-N -1 3 352.442 3.673 20 30 FHEDHM N#CCOc1ccc(Cl)cc1CSCc1cccc(-c2nnn[n-]2)c1 ZINC000737697406 599238426 /nfs/dbraw/zinc/23/84/26/599238426.db2.gz FNAPULOGSHHSAS-UHFFFAOYSA-N -1 3 371.853 3.856 20 30 FHEDHM N#CCOc1ccc(Cl)cc1CSCc1cccc(-c2nn[n-]n2)c1 ZINC000737697406 599238429 /nfs/dbraw/zinc/23/84/29/599238429.db2.gz FNAPULOGSHHSAS-UHFFFAOYSA-N -1 3 371.853 3.856 20 30 FHEDHM Fc1cccc(F)c1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737662334 598316026 /nfs/dbraw/zinc/31/60/26/598316026.db2.gz UVQMTDAMNNPTEJ-UHFFFAOYSA-N -1 3 368.269 3.610 20 30 FHEDHM Fc1cccc(F)c1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737662334 598316028 /nfs/dbraw/zinc/31/60/28/598316028.db2.gz UVQMTDAMNNPTEJ-UHFFFAOYSA-N -1 3 368.269 3.610 20 30 FHEDHM Cc1ccc(C#N)cc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737305920 598324516 /nfs/dbraw/zinc/32/45/16/598324516.db2.gz KPVLBBXGEFUPQO-UHFFFAOYSA-N -1 3 369.841 3.509 20 30 FHEDHM Cc1ccc(C#N)cc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737305920 598324518 /nfs/dbraw/zinc/32/45/18/598324518.db2.gz KPVLBBXGEFUPQO-UHFFFAOYSA-N -1 3 369.841 3.509 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735977866 598554472 /nfs/dbraw/zinc/55/44/72/598554472.db2.gz YEKRAYBGBZIXGC-SNVBAGLBSA-N -1 3 370.463 3.575 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735977866 598554474 /nfs/dbraw/zinc/55/44/74/598554474.db2.gz YEKRAYBGBZIXGC-SNVBAGLBSA-N -1 3 370.463 3.575 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735416269 598752695 /nfs/dbraw/zinc/75/26/95/598752695.db2.gz GBNOVVCKLPNIEE-UHFFFAOYSA-N -1 3 371.510 3.554 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735416269 598752696 /nfs/dbraw/zinc/75/26/96/598752696.db2.gz GBNOVVCKLPNIEE-UHFFFAOYSA-N -1 3 371.510 3.554 20 30 FHEDHM Cc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)ccc1Oc1cccnc1 ZINC000737262223 598761772 /nfs/dbraw/zinc/76/17/72/598761772.db2.gz LBFJDAGOEPFAAJ-UHFFFAOYSA-N -1 3 371.404 3.808 20 30 FHEDHM COc1ccc2oc(C(C)=NNc3ccc(-c4nn[n-]n4)cc3)c(C)c2c1 ZINC000737119443 598787631 /nfs/dbraw/zinc/78/76/31/598787631.db2.gz ACQMXEWEKOPRHW-UHFFFAOYSA-N -1 3 362.393 3.766 20 30 FHEDHM FC(F)(F)Oc1ccc2c(c1)C(=NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000737626664 599534902 /nfs/dbraw/zinc/53/49/02/599534902.db2.gz JCPAUVJEXQDWRG-UHFFFAOYSA-N -1 3 374.326 3.528 20 30 FHEDHM FC(F)(F)Oc1ccc2c(c1)C(=NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737626664 599534905 /nfs/dbraw/zinc/53/49/05/599534905.db2.gz JCPAUVJEXQDWRG-UHFFFAOYSA-N -1 3 374.326 3.528 20 30 FHEDHM Cc1nc(-c2ccc(CN[C@@H](C(=O)[O-])c3ccc(C#N)cc3)s2)cs1 ZINC000738829624 600591497 /nfs/dbraw/zinc/59/14/97/600591497.db2.gz OPDJKMVTCFQCQX-QGZVFWFLSA-N -1 3 369.471 3.967 20 30 FHEDHM Cc1ccc(C)c(OC2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832926057 601312721 /nfs/dbraw/zinc/31/27/21/601312721.db2.gz DOGDQDPNTUCREN-OAQYLSRUSA-N -1 3 364.445 3.844 20 30 FHEDHM C=CCOc1ccccc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000819759247 606080554 /nfs/dbraw/zinc/08/05/54/606080554.db2.gz QMWGVENRIPMVNY-UHFFFAOYSA-N -1 3 358.405 3.592 20 30 FHEDHM C=CCOc1ccccc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000819759247 606080562 /nfs/dbraw/zinc/08/05/62/606080562.db2.gz QMWGVENRIPMVNY-UHFFFAOYSA-N -1 3 358.405 3.592 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCCCC2)cc1 ZINC000822922999 606304418 /nfs/dbraw/zinc/30/44/18/606304418.db2.gz MCRPMCJJIDVHOI-HJWRWDBZSA-N -1 3 365.462 3.815 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCCCC2)cc1 ZINC000822922999 606304419 /nfs/dbraw/zinc/30/44/19/606304419.db2.gz MCRPMCJJIDVHOI-HJWRWDBZSA-N -1 3 365.462 3.815 20 30 FHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821421966 606392349 /nfs/dbraw/zinc/39/23/49/606392349.db2.gz JBSCMJGXNBWWCK-GQCTYLIASA-N -1 3 360.826 3.876 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1OC(F)F ZINC000822922703 606392693 /nfs/dbraw/zinc/39/26/93/606392693.db2.gz IPFPLPYRDNCLDC-GORDUTHDSA-N -1 3 366.324 3.565 20 30 FHEDHM CCc1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000821481724 606594787 /nfs/dbraw/zinc/59/47/87/606594787.db2.gz MOYISPCQTLNWCV-UHFFFAOYSA-N -1 3 373.363 3.581 20 30 FHEDHM CCc1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000821481724 606594788 /nfs/dbraw/zinc/59/47/88/606594788.db2.gz MOYISPCQTLNWCV-UHFFFAOYSA-N -1 3 373.363 3.581 20 30 FHEDHM CC1CC(C#N)(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C1 ZINC000820641361 606903934 /nfs/dbraw/zinc/90/39/34/606903934.db2.gz BWZISXZSWCDXLO-UHFFFAOYSA-N -1 3 374.404 3.537 20 30 FHEDHM CC1CC(C#N)(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C1 ZINC000820641361 606903937 /nfs/dbraw/zinc/90/39/37/606903937.db2.gz BWZISXZSWCDXLO-UHFFFAOYSA-N -1 3 374.404 3.537 20 30 FHEDHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820455108 607173427 /nfs/dbraw/zinc/17/34/27/607173427.db2.gz DCELJIHXKZEMDL-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820455108 607173428 /nfs/dbraw/zinc/17/34/28/607173428.db2.gz DCELJIHXKZEMDL-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM Clc1cc(Cl)c(N=NCc2ccccc2-c2nnn[n-]2)nc1Cl ZINC000826351152 607882881 /nfs/dbraw/zinc/88/28/81/607882881.db2.gz ZHHIVLAUFGQRCM-UHFFFAOYSA-N -1 3 368.615 3.668 20 30 FHEDHM Clc1cc(Cl)c(N=NCc2ccccc2-c2nn[n-]n2)nc1Cl ZINC000826351152 607882882 /nfs/dbraw/zinc/88/28/82/607882882.db2.gz ZHHIVLAUFGQRCM-UHFFFAOYSA-N -1 3 368.615 3.668 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826292405 607883579 /nfs/dbraw/zinc/88/35/79/607883579.db2.gz TYYWKSPSORTQQU-FPLPWBNLSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826292405 607883580 /nfs/dbraw/zinc/88/35/80/607883580.db2.gz TYYWKSPSORTQQU-FPLPWBNLSA-N -1 3 356.332 3.673 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Br)s1 ZINC000826402582 607884094 /nfs/dbraw/zinc/88/40/94/607884094.db2.gz XKHDLWWHTBMCEV-AATRIKPKSA-N -1 3 361.224 3.587 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Br)s1 ZINC000826402582 607884095 /nfs/dbraw/zinc/88/40/95/607884095.db2.gz XKHDLWWHTBMCEV-AATRIKPKSA-N -1 3 361.224 3.587 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000826401273 607915995 /nfs/dbraw/zinc/91/59/95/607915995.db2.gz UKICILHDOQUNSD-WAPJZHGLSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000826401273 607915996 /nfs/dbraw/zinc/91/59/96/607915996.db2.gz UKICILHDOQUNSD-WAPJZHGLSA-N -1 3 373.185 3.664 20 30 FHEDHM C=C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC000823883562 608003651 /nfs/dbraw/zinc/00/36/51/608003651.db2.gz UBZRROIRZKECEP-CQSZACIVSA-N -1 3 364.453 3.722 20 30 FHEDHM C=C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1 ZINC000823883562 608003652 /nfs/dbraw/zinc/00/36/52/608003652.db2.gz UBZRROIRZKECEP-CQSZACIVSA-N -1 3 364.453 3.722 20 30 FHEDHM N#Cc1cccc(OCCSc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826387282 608207872 /nfs/dbraw/zinc/20/78/72/608207872.db2.gz NQMUGHGLNIVTIF-UHFFFAOYSA-N -1 3 357.826 3.563 20 30 FHEDHM N#Cc1cccc(OCCSc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826387282 608207873 /nfs/dbraw/zinc/20/78/73/608207873.db2.gz NQMUGHGLNIVTIF-UHFFFAOYSA-N -1 3 357.826 3.563 20 30 FHEDHM Cc1cc(F)ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)CC1(C#N)CC1 ZINC000826268587 608384548 /nfs/dbraw/zinc/38/45/48/608384548.db2.gz DASWNNWKSGRJQY-UHFFFAOYSA-N -1 3 362.412 3.625 20 30 FHEDHM Cc1cc(F)ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)CC1(C#N)CC1 ZINC000826268587 608384550 /nfs/dbraw/zinc/38/45/50/608384550.db2.gz DASWNNWKSGRJQY-UHFFFAOYSA-N -1 3 362.412 3.625 20 30 FHEDHM COc1ccc([C@H](C)C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826187823 608534201 /nfs/dbraw/zinc/53/42/01/608534201.db2.gz GAOPPZBCSNQSLM-SNVBAGLBSA-N -1 3 371.832 3.515 20 30 FHEDHM COc1ccc([C@H](C)C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826187823 608534203 /nfs/dbraw/zinc/53/42/03/608534203.db2.gz GAOPPZBCSNQSLM-SNVBAGLBSA-N -1 3 371.832 3.515 20 30 FHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2C[C@H]3CCCc4cccc2c43)n1 ZINC000826350010 608539288 /nfs/dbraw/zinc/53/92/88/608539288.db2.gz DPAQIXLKSIGRIM-LLVKDONJSA-N -1 3 365.828 3.555 20 30 FHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2C[C@H]3CCCc4cccc2c43)n1 ZINC000826350010 608539289 /nfs/dbraw/zinc/53/92/89/608539289.db2.gz DPAQIXLKSIGRIM-LLVKDONJSA-N -1 3 365.828 3.555 20 30 FHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2c3ccccc3-c3ccccc32)n1 ZINC000826350266 608540944 /nfs/dbraw/zinc/54/09/44/608540944.db2.gz ONMBYNYBRXCEFL-UHFFFAOYSA-N -1 3 373.807 3.760 20 30 FHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2c3ccccc3-c3ccccc32)n1 ZINC000826350266 608540946 /nfs/dbraw/zinc/54/09/46/608540946.db2.gz ONMBYNYBRXCEFL-UHFFFAOYSA-N -1 3 373.807 3.760 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000826400777 608874844 /nfs/dbraw/zinc/87/48/44/608874844.db2.gz HYLWBUNIGBHHBR-VURMDHGXSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000826400777 608874845 /nfs/dbraw/zinc/87/48/45/608874845.db2.gz HYLWBUNIGBHHBR-VURMDHGXSA-N -1 3 360.295 3.503 20 30 FHEDHM CCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825339354 609271730 /nfs/dbraw/zinc/27/17/30/609271730.db2.gz XLOBFSOVPMEHCU-YHYXMXQVSA-N -1 3 352.369 3.691 20 30 FHEDHM CCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825339354 609271731 /nfs/dbraw/zinc/27/17/31/609271731.db2.gz XLOBFSOVPMEHCU-YHYXMXQVSA-N -1 3 352.369 3.691 20 30 FHEDHM CC1(C)Cc2cccc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)c2O1 ZINC000824812796 609273543 /nfs/dbraw/zinc/27/35/43/609273543.db2.gz RBSBOWCHHSUTRR-CLFYSBASSA-N -1 3 364.380 3.615 20 30 FHEDHM CC1(C)Cc2cccc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)c2O1 ZINC000824812796 609273544 /nfs/dbraw/zinc/27/35/44/609273544.db2.gz RBSBOWCHHSUTRR-CLFYSBASSA-N -1 3 364.380 3.615 20 30 FHEDHM CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823963169 609273626 /nfs/dbraw/zinc/27/36/26/609273626.db2.gz XGPFZNPGTUJKKC-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823963169 609273627 /nfs/dbraw/zinc/27/36/27/609273627.db2.gz XGPFZNPGTUJKKC-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM FC(F)Oc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826370227 609474869 /nfs/dbraw/zinc/47/48/69/609474869.db2.gz JATAXOIEHFZSFM-UHFFFAOYSA-N -1 3 364.743 3.568 20 30 FHEDHM FC(F)Oc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826370227 609474871 /nfs/dbraw/zinc/47/48/71/609474871.db2.gz JATAXOIEHFZSFM-UHFFFAOYSA-N -1 3 364.743 3.568 20 30 FHEDHM CC(C)c1ccc([C@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC000824347470 609482959 /nfs/dbraw/zinc/48/29/59/609482959.db2.gz BAPVELFHYHHEKP-NSHDSACASA-N -1 3 365.466 3.692 20 30 FHEDHM CC(C)c1ccc([C@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1 ZINC000824347470 609482962 /nfs/dbraw/zinc/48/29/62/609482962.db2.gz BAPVELFHYHHEKP-NSHDSACASA-N -1 3 365.466 3.692 20 30 FHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000178810236 937209213 /nfs/dbraw/zinc/20/92/13/937209213.db2.gz JSAMMFOMEOTYCY-UHFFFAOYSA-N -1 3 359.209 3.946 20 30 FHEDHM COc1cc(C(=O)/C=C\c2ccccc2OC(F)F)c(OC)cc1[O-] ZINC000254988325 928726021 /nfs/dbraw/zinc/72/60/21/928726021.db2.gz FXGAYJYDVDUFGX-FPLPWBNLSA-N -1 3 350.317 3.907 20 30 FHEDHM C=CCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000385897623 929072094 /nfs/dbraw/zinc/07/20/94/929072094.db2.gz FLKKZGLWBHBALR-UHFFFAOYSA-N -1 3 352.681 3.737 20 30 FHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3c(c2)CCC(=O)N3)s1 ZINC000430594179 932008036 /nfs/dbraw/zinc/00/80/36/932008036.db2.gz GEBNJHKIIYFPRL-CYBMUJFWSA-N -1 3 353.447 3.815 20 30 FHEDHM Cc1cc(C(=O)NC2CCCCC2)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000255381359 932957822 /nfs/dbraw/zinc/95/78/22/932957822.db2.gz CAVKHZDIESHIBB-UHFFFAOYSA-N -1 3 368.433 3.925 20 30 FHEDHM N#CC(=C([O-])c1cccc2c1CC(=O)CC2)c1cc(C(F)(F)F)ccn1 ZINC000581977728 933212067 /nfs/dbraw/zinc/21/20/67/933212067.db2.gz UGIVSGGXMJDHEU-INIZCTEOSA-N -1 3 358.319 3.648 20 30 FHEDHM C[S@@](=O)Cc1ccccc1N=Cc1cc(Br)ccc1[O-] ZINC000588458250 933785929 /nfs/dbraw/zinc/78/59/29/933785929.db2.gz KYHIIVMORJPGCY-HXUWFJFHSA-N -1 3 352.253 3.784 20 30 FHEDHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2)cc1OCCCC#N ZINC000277181665 934760203 /nfs/dbraw/zinc/76/02/03/934760203.db2.gz FJZHONPRRDGDRQ-SFHVURJKSA-N -1 3 368.433 3.683 20 30 FHEDHM N#C[C@@H]([N-]C(=O)c1c(F)ccc(F)c1F)c1ccc(OC(F)(F)F)cc1 ZINC000548520422 934805977 /nfs/dbraw/zinc/80/59/77/934805977.db2.gz PJYKIVOYRODWLK-GFCCVEGCSA-N -1 3 374.240 3.997 20 30 FHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(C)C)nc1 ZINC000121983151 936281373 /nfs/dbraw/zinc/28/13/73/936281373.db2.gz QMOGWOYMMSPBSC-HNNXBMFYSA-N -1 3 351.406 3.565 20 30 FHEDHM Cc1nscc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000179492518 939173491 /nfs/dbraw/zinc/17/34/91/939173491.db2.gz KLPAEKFLIWVPEN-UHFFFAOYSA-N -1 3 373.488 3.719 20 30 FHEDHM Cc1cc(C(C#N)=C([O-])c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc(C)n1 ZINC000437374675 945282955 /nfs/dbraw/zinc/28/29/55/945282955.db2.gz ODKVRBXUSZNBKQ-ZDUSSCGKSA-N -1 3 364.283 3.511 20 30 FHEDHM N#Cc1ccncc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2F)s1 ZINC000588981282 939951742 /nfs/dbraw/zinc/95/17/42/939951742.db2.gz ZDYPNMLSOFLYRZ-UHFFFAOYSA-N -1 3 359.773 3.517 20 30 FHEDHM Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1S(=O)(=O)NC1CC1 ZINC000255867196 940081685 /nfs/dbraw/zinc/08/16/85/940081685.db2.gz WWYWUFCFTQLQTK-UHFFFAOYSA-N -1 3 364.854 3.545 20 30 FHEDHM N#Cc1ccccc1N1CCC(CNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000378024413 942176353 /nfs/dbraw/zinc/17/63/53/942176353.db2.gz HIABLXHRLFAHOK-UHFFFAOYSA-N -1 3 369.852 3.564 20 30 FHEDHM CSc1ncc(C([O-])=C(C#N)c2ccccn2)n1-c1ccc(F)cc1 ZINC000041482255 942399708 /nfs/dbraw/zinc/39/97/08/942399708.db2.gz OLJPMQFGAFAAFU-AWEZNQCLSA-N -1 3 352.394 3.618 20 30 FHEDHM Cc1nn(C)c2nc(-c3ccccc3)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000041482689 942400891 /nfs/dbraw/zinc/40/08/91/942400891.db2.gz PWFGUTDIJBPREX-QGZVFWFLSA-N -1 3 367.412 3.829 20 30 FHEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2ccc(S(C)(=O)=O)s2)s1 ZINC000421569171 942662641 /nfs/dbraw/zinc/66/26/41/942662641.db2.gz KNWLRRLVMOYWOU-UHFFFAOYSA-N -1 3 368.505 3.635 20 30 FHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cccc(F)c2o1 ZINC000122925573 942737625 /nfs/dbraw/zinc/73/76/25/942737625.db2.gz ZSPRTNDEPKOEFO-GFCCVEGCSA-N -1 3 352.321 3.542 20 30 FHEDHM CCCN(Cc1ccc(C)cc1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000514666674 943202911 /nfs/dbraw/zinc/20/29/11/943202911.db2.gz NYNOUJFLEMBWCC-UHFFFAOYSA-N -1 3 365.477 3.956 20 30 FHEDHM Cn1cc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1C#N ZINC000417564295 943716799 /nfs/dbraw/zinc/71/67/99/943716799.db2.gz OQZKAKIJFLZBCE-HNNXBMFYSA-N -1 3 352.221 3.509 20 30 FHEDHM N#Cc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C(F)(F)F)c1 ZINC000417618836 943754474 /nfs/dbraw/zinc/75/44/74/943754474.db2.gz DKCQTCVTJSNQAJ-WBVHZDCISA-N -1 3 360.335 3.980 20 30 FHEDHM C=C(C)C(C)(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000424724497 944080415 /nfs/dbraw/zinc/08/04/15/944080415.db2.gz FLNOTZJJNMOBMH-UHFFFAOYSA-N -1 3 364.873 3.825 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc(Cl)cc1F ZINC000439184561 944419744 /nfs/dbraw/zinc/41/97/44/944419744.db2.gz WZOURDCLZGJXDT-UHFFFAOYSA-N -1 3 361.804 3.664 20 30 FHEDHM CCCc1c([N-]S(=O)(=O)CCC(C)(C)C#N)cnn1-c1ccccc1 ZINC000518778412 944736921 /nfs/dbraw/zinc/73/69/21/944736921.db2.gz NABRPKJPNPEKQA-UHFFFAOYSA-N -1 3 360.483 3.506 20 30 FHEDHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000437946171 944937057 /nfs/dbraw/zinc/93/70/57/944937057.db2.gz IOLRINJKVACJRE-UHFFFAOYSA-N -1 3 357.822 3.869 20 30 FHEDHM Cc1nc(-c2cccs2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000125086443 945576925 /nfs/dbraw/zinc/57/69/25/945576925.db2.gz FCHPOTDBFPAAGN-LLVKDONJSA-N -1 3 368.443 3.536 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](CC(C)C)c1ccccn1 ZINC000125393339 945864008 /nfs/dbraw/zinc/86/40/08/945864008.db2.gz LUTDODZODZOTRV-LJQANCHMSA-N -1 3 367.449 3.522 20 30 FHEDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444180591 946043336 /nfs/dbraw/zinc/04/33/36/946043336.db2.gz FVHMTYAXPQGEIA-MRVPVSSYSA-N -1 3 367.286 3.854 20 30 FHEDHM Cc1ncc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)s1 ZINC000520125621 946153639 /nfs/dbraw/zinc/15/36/39/946153639.db2.gz XQTXNJAEQUELEP-UHFFFAOYSA-N -1 3 373.488 3.719 20 30 FHEDHM C=CCc1cccc(C(C)C)c1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000475578820 946736049 /nfs/dbraw/zinc/73/60/49/946736049.db2.gz QRIMIHNUUKGHAL-UHFFFAOYSA-N -1 3 367.375 3.997 20 30 FHEDHM C[C@@H](Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000824658069 946887013 /nfs/dbraw/zinc/88/70/13/946887013.db2.gz UYZPMVAXLDFDJY-SNVBAGLBSA-N -1 3 369.226 3.674 20 30 FHEDHM C[C@@H](Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000824658069 946887020 /nfs/dbraw/zinc/88/70/20/946887020.db2.gz UYZPMVAXLDFDJY-SNVBAGLBSA-N -1 3 369.226 3.674 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1CC(C)C ZINC000129780849 946915176 /nfs/dbraw/zinc/91/51/76/946915176.db2.gz CEKSHZPEISJJMH-QGZVFWFLSA-N -1 3 357.498 3.613 20 30 FHEDHM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)ccc2O1 ZINC000824812019 946939995 /nfs/dbraw/zinc/93/99/95/946939995.db2.gz GKBMYNBGFDREAI-CLTKARDFSA-N -1 3 364.380 3.615 20 30 FHEDHM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)ccc2O1 ZINC000824812019 946939999 /nfs/dbraw/zinc/93/99/99/946939999.db2.gz GKBMYNBGFDREAI-CLTKARDFSA-N -1 3 364.380 3.615 20 30 FHEDHM Cc1nn(C)c2nc(-c3cccs3)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000049456807 947074516 /nfs/dbraw/zinc/07/45/16/947074516.db2.gz RVDCUPUFEBSXCX-AWEZNQCLSA-N -1 3 373.441 3.890 20 30 FHEDHM C=CC(C)(C)CCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001573307193 947178670 /nfs/dbraw/zinc/17/86/70/947178670.db2.gz QHELCFUSIJLTCE-UHFFFAOYSA-N -1 3 372.473 3.768 20 30 FHEDHM C=CC(C)(C)CCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001573307193 947178674 /nfs/dbraw/zinc/17/86/74/947178674.db2.gz QHELCFUSIJLTCE-UHFFFAOYSA-N -1 3 372.473 3.768 20 30 FHEDHM C=C[C@H](CC)CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001573316810 947283963 /nfs/dbraw/zinc/28/39/63/947283963.db2.gz ZTCVQPXSEGXKNP-CYBMUJFWSA-N -1 3 364.409 3.595 20 30 FHEDHM C=C[C@H](CC)CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001573316810 947283973 /nfs/dbraw/zinc/28/39/73/947283973.db2.gz ZTCVQPXSEGXKNP-CYBMUJFWSA-N -1 3 364.409 3.595 20 30 FHEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001573328948 947416931 /nfs/dbraw/zinc/41/69/31/947416931.db2.gz FKCWBUXKQZNQRS-RHSMWYFYSA-N -1 3 368.485 3.536 20 30 FHEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001573328948 947416937 /nfs/dbraw/zinc/41/69/37/947416937.db2.gz FKCWBUXKQZNQRS-RHSMWYFYSA-N -1 3 368.485 3.536 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573341319 947531491 /nfs/dbraw/zinc/53/14/91/947531491.db2.gz LKIMSEOLRYAHMD-UHFFFAOYSA-N -1 3 358.421 3.606 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573341319 947531501 /nfs/dbraw/zinc/53/15/01/947531501.db2.gz LKIMSEOLRYAHMD-UHFFFAOYSA-N -1 3 358.421 3.606 20 30 FHEDHM Cn1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(C2CCCCC2)n1 ZINC000826359933 948118384 /nfs/dbraw/zinc/11/83/84/948118384.db2.gz SXYZMMOCPXAINO-KHPPLWFESA-N -1 3 362.437 3.544 20 30 FHEDHM Cn1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(C2CCCCC2)n1 ZINC000826359933 948118387 /nfs/dbraw/zinc/11/83/87/948118387.db2.gz SXYZMMOCPXAINO-KHPPLWFESA-N -1 3 362.437 3.544 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCCCC2)cc1 ZINC000826401585 948222502 /nfs/dbraw/zinc/22/25/02/948222502.db2.gz BVXUPTNDKZRTID-RAXLEYEMSA-N -1 3 359.433 3.753 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(N2CCCCC2)cc1 ZINC000826401585 948222508 /nfs/dbraw/zinc/22/25/08/948222508.db2.gz BVXUPTNDKZRTID-RAXLEYEMSA-N -1 3 359.433 3.753 20 30 FHEDHM N#CC1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCCC1 ZINC000194766666 948612787 /nfs/dbraw/zinc/61/27/87/948612787.db2.gz HATMMPYEYXAOST-UHFFFAOYSA-N -1 3 366.792 3.864 20 30 FHEDHM CC(=O)Nc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)ccc1F ZINC000121122255 206108725 /nfs/dbraw/zinc/10/87/25/206108725.db2.gz SFZOVBXXUBUELQ-LBPRGKRZSA-N -1 3 365.286 3.688 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC000541827050 567928262 /nfs/dbraw/zinc/92/82/62/567928262.db2.gz MOYWCWITFFVNHE-AWEZNQCLSA-N -1 3 374.771 3.794 20 30 FHEDHM N#Cc1cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)ccc1Cl ZINC000481876293 568140642 /nfs/dbraw/zinc/14/06/42/568140642.db2.gz STWOZLQFKVSJCH-UHFFFAOYSA-N -1 3 369.229 3.601 20 30 FHEDHM CCOC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)c1C ZINC000603835727 568159303 /nfs/dbraw/zinc/15/93/03/568159303.db2.gz MANCABPLLCHPQS-OAHLLOKOSA-N -1 3 361.401 3.847 20 30 FHEDHM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3ccc4nccnc4n3)sc21 ZINC000569316564 568376637 /nfs/dbraw/zinc/37/66/37/568376637.db2.gz HJCVWEZOZAGGQB-WDEREUQCSA-N -1 3 363.446 3.896 20 30 FHEDHM C=CCn1c(C)cc(C(=O)CSc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000735443179 599063912 /nfs/dbraw/zinc/06/39/12/599063912.db2.gz RZSFOGRFJVBWQJ-UHFFFAOYSA-N -1 3 371.441 3.585 20 30 FHEDHM C=CCn1c(C)cc(C(=O)CSc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000735443179 599063915 /nfs/dbraw/zinc/06/39/15/599063915.db2.gz RZSFOGRFJVBWQJ-UHFFFAOYSA-N -1 3 371.441 3.585 20 30 FHEDHM COc1ccccc1-c1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737143070 599067607 /nfs/dbraw/zinc/06/76/07/599067607.db2.gz OVECNSWEVTWDIT-UHFFFAOYSA-N -1 3 370.416 3.988 20 30 FHEDHM COc1ccccc1-c1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737143070 599067610 /nfs/dbraw/zinc/06/76/10/599067610.db2.gz OVECNSWEVTWDIT-UHFFFAOYSA-N -1 3 370.416 3.988 20 30 FHEDHM N#Cc1ccc(F)c(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822829850 599073912 /nfs/dbraw/zinc/07/39/12/599073912.db2.gz LYJXCUKUGQWXTC-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM N#Cc1ccc(F)c(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822829850 599073915 /nfs/dbraw/zinc/07/39/15/599073915.db2.gz LYJXCUKUGQWXTC-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1Cl ZINC000821786633 599116296 /nfs/dbraw/zinc/11/62/96/599116296.db2.gz HBKFAUQQGQFYPT-MDWZMJQESA-N -1 3 366.808 3.741 20 30 FHEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1Cl ZINC000821786633 599116299 /nfs/dbraw/zinc/11/62/99/599116299.db2.gz HBKFAUQQGQFYPT-MDWZMJQESA-N -1 3 366.808 3.741 20 30 FHEDHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735922308 599193688 /nfs/dbraw/zinc/19/36/88/599193688.db2.gz FPPJIQPVRVCUNW-RTBURBONSA-N -1 3 372.432 3.604 20 30 FHEDHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735922308 599193691 /nfs/dbraw/zinc/19/36/91/599193691.db2.gz FPPJIQPVRVCUNW-RTBURBONSA-N -1 3 372.432 3.604 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000735450797 598313711 /nfs/dbraw/zinc/31/37/11/598313711.db2.gz DKKPMROASMNUAY-UHFFFAOYSA-N -1 3 371.326 3.593 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000735450797 598313712 /nfs/dbraw/zinc/31/37/12/598313712.db2.gz DKKPMROASMNUAY-UHFFFAOYSA-N -1 3 371.326 3.593 20 30 FHEDHM C=CCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000735408242 598326872 /nfs/dbraw/zinc/32/68/72/598326872.db2.gz IWDPJDFIRGEVGK-UHFFFAOYSA-N -1 3 365.412 3.501 20 30 FHEDHM C=CCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000735408242 598326874 /nfs/dbraw/zinc/32/68/74/598326874.db2.gz IWDPJDFIRGEVGK-UHFFFAOYSA-N -1 3 365.412 3.501 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000735416403 598759872 /nfs/dbraw/zinc/75/98/72/598759872.db2.gz IUNUFIYLEQWCAE-UHFFFAOYSA-N -1 3 354.458 3.775 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000735416403 598759874 /nfs/dbraw/zinc/75/98/74/598759874.db2.gz IUNUFIYLEQWCAE-UHFFFAOYSA-N -1 3 354.458 3.775 20 30 FHEDHM N#Cc1ccc(Oc2cccc(Nc3ccc(-c4nnn[n-]4)cn3)c2)cc1 ZINC000737721624 598796575 /nfs/dbraw/zinc/79/65/75/598796575.db2.gz NAQFEZQVUFAHDX-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM N#Cc1ccc(Oc2cccc(Nc3ccc(-c4nn[n-]n4)cn3)c2)cc1 ZINC000737721624 598796577 /nfs/dbraw/zinc/79/65/77/598796577.db2.gz NAQFEZQVUFAHDX-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM N#Cc1cccc(OC2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1 ZINC000739133843 600406151 /nfs/dbraw/zinc/40/61/51/600406151.db2.gz QBIQMBYOXOXOHF-LJQANCHMSA-N -1 3 370.836 3.881 20 30 FHEDHM CCN(CC)c1ccc(/C=[NH+]\[C@H](CC(=O)[O-])c2ccc(OC)cc2)c([O-])c1 ZINC000737089497 600494425 /nfs/dbraw/zinc/49/44/25/600494425.db2.gz XFXMLVOCTWSWNY-HBEGMLAUSA-N -1 3 370.449 3.882 20 30 FHEDHM C[C@H](CC(=O)[O-])SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000736552427 600585171 /nfs/dbraw/zinc/58/51/71/600585171.db2.gz MXFMCPFETHDDND-DGCLKSJQSA-N -1 3 360.460 3.583 20 30 FHEDHM CCOc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OCC ZINC000737194365 600590198 /nfs/dbraw/zinc/59/01/98/600590198.db2.gz CRAFSSJIICHQBB-VBKZILBWSA-N -1 3 368.433 3.832 20 30 FHEDHM N#Cc1ccc([C@H](NCc2ccc(F)cc2C(F)(F)F)C(=O)[O-])cc1 ZINC000739109033 600594230 /nfs/dbraw/zinc/59/42/30/600594230.db2.gz ZUQUAMPQPARXAI-HNNXBMFYSA-N -1 3 352.287 3.632 20 30 FHEDHM N#Cc1ccc([C@@H](NCc2ccc(OC3CCCC3)cc2)C(=O)[O-])cc1 ZINC000739108676 600597246 /nfs/dbraw/zinc/59/72/46/600597246.db2.gz WFZZVLLXLKHAIC-HXUWFJFHSA-N -1 3 350.418 3.795 20 30 FHEDHM N#Cc1ccc([C@@H](N[C@@H]2CCc3c2cccc3Br)C(=O)[O-])cc1 ZINC000739106313 600598121 /nfs/dbraw/zinc/59/81/21/600598121.db2.gz LFDLELJLIUZUTI-IAGOWNOFSA-N -1 3 371.234 3.724 20 30 FHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CCO2 ZINC000822212752 607460128 /nfs/dbraw/zinc/46/01/28/607460128.db2.gz GGVMRBXHGLXHOU-ZROIWOOFSA-N -1 3 364.380 3.671 20 30 FHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CCO2 ZINC000822212752 607460129 /nfs/dbraw/zinc/46/01/29/607460129.db2.gz GGVMRBXHGLXHOU-ZROIWOOFSA-N -1 3 364.380 3.671 20 30 FHEDHM O=C1c2cccc(F)c2SCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823505150 607458957 /nfs/dbraw/zinc/45/89/57/607458957.db2.gz YCMDDMGPJVXOCC-IZZDOVSWSA-N -1 3 356.357 3.517 20 30 FHEDHM O=C1c2cccc(F)c2SCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823505150 607458958 /nfs/dbraw/zinc/45/89/58/607458958.db2.gz YCMDDMGPJVXOCC-IZZDOVSWSA-N -1 3 356.357 3.517 20 30 FHEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1cc(Cl)ccc1Cl ZINC000822739763 607464872 /nfs/dbraw/zinc/46/48/72/607464872.db2.gz CJMQGRZMLYCIBP-UHFFFAOYSA-N -1 3 351.172 3.759 20 30 FHEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1cc(Cl)ccc1Cl ZINC000822739763 607464873 /nfs/dbraw/zinc/46/48/73/607464873.db2.gz CJMQGRZMLYCIBP-UHFFFAOYSA-N -1 3 351.172 3.759 20 30 FHEDHM Cc1nc(-c2ccc(CN[C@@H](C(=O)[O-])c3cccc(C#N)c3)s2)cs1 ZINC000832991176 601298435 /nfs/dbraw/zinc/29/84/35/601298435.db2.gz OGWSFISXMQIZJB-QGZVFWFLSA-N -1 3 369.471 3.967 20 30 FHEDHM COc1cc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(C)C ZINC000831955199 601301094 /nfs/dbraw/zinc/30/10/94/601301094.db2.gz FWFKIRHDSAZDIR-XOBRGWDASA-N -1 3 368.433 3.831 20 30 FHEDHM Cc1cc(Br)ccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832858448 601305477 /nfs/dbraw/zinc/30/54/77/601305477.db2.gz IKMQZKHCWZKAAI-MRXNPFEDSA-N -1 3 359.223 3.545 20 30 FHEDHM CN(Cc1cccc(OC(F)(F)F)c1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830851980 601910607 /nfs/dbraw/zinc/91/06/07/601910607.db2.gz KHJMEKONTSQRSQ-MRXNPFEDSA-N -1 3 364.323 3.715 20 30 FHEDHM N#CCOc1ccc(CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000833068353 601974880 /nfs/dbraw/zinc/97/48/80/601974880.db2.gz WNQQKBWHAGIZPX-MRXNPFEDSA-N -1 3 365.216 3.811 20 30 FHEDHM N#CC(C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc2ccccc2n1 ZINC000831064619 604152645 /nfs/dbraw/zinc/15/26/45/604152645.db2.gz KEQIOLWMWYJUPI-YQAQFAQXSA-N -1 3 363.417 3.722 20 30 FHEDHM N#CC(C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])c1ccc2ccccc2n1 ZINC000831066433 604215340 /nfs/dbraw/zinc/21/53/40/604215340.db2.gz WZBNQPBIWVBNPL-ROUUACIJSA-N -1 3 373.412 3.680 20 30 FHEDHM C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823647822 604225675 /nfs/dbraw/zinc/22/56/75/604225675.db2.gz OGNXFLRASVHGNQ-RVSPLBMKSA-N -1 3 363.373 3.649 20 30 FHEDHM C[C@@H](NC(=O)[O-])c1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000823648576 604412688 /nfs/dbraw/zinc/41/26/88/604412688.db2.gz USEKVRURPGIKDT-LSDHHAIUSA-N -1 3 353.422 3.596 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccccc2C2CC2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015956 606195728 /nfs/dbraw/zinc/19/57/28/606195728.db2.gz REMGRPVOCRMESE-KHPPLWFESA-N -1 3 359.433 3.696 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccccc2C2CC2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015956 606195729 /nfs/dbraw/zinc/19/57/29/606195729.db2.gz REMGRPVOCRMESE-KHPPLWFESA-N -1 3 359.433 3.696 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822423709 606305633 /nfs/dbraw/zinc/30/56/33/606305633.db2.gz NAXKEIPCEJTSPK-WAYWQWQTSA-N -1 3 359.480 3.887 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822423709 606305634 /nfs/dbraw/zinc/30/56/34/606305634.db2.gz NAXKEIPCEJTSPK-WAYWQWQTSA-N -1 3 359.480 3.887 20 30 FHEDHM C(=NNCc1ccc(-c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000819719079 606370360 /nfs/dbraw/zinc/37/03/60/606370360.db2.gz YSTNLVGTZDNIMB-UHFFFAOYSA-N -1 3 360.446 3.719 20 30 FHEDHM COc1ccc2cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)ccc2c1 ZINC000821854525 606387153 /nfs/dbraw/zinc/38/71/53/606387153.db2.gz LRNJWUCPXLVVIK-VURMDHGXSA-N -1 3 362.414 3.986 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Br)cc1 ZINC000822924257 606387846 /nfs/dbraw/zinc/38/78/46/606387846.db2.gz ZOSJWMYSPGDIKJ-ALCCZGGFSA-N -1 3 361.224 3.587 20 30 FHEDHM N#Cc1cccnc1Oc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822842363 606447226 /nfs/dbraw/zinc/44/72/26/606447226.db2.gz DZHUPHKTPODNET-UHFFFAOYSA-N -1 3 369.388 3.538 20 30 FHEDHM N#Cc1cccnc1Oc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822842363 606447228 /nfs/dbraw/zinc/44/72/28/606447228.db2.gz DZHUPHKTPODNET-UHFFFAOYSA-N -1 3 369.388 3.538 20 30 FHEDHM C=CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819734511 606791477 /nfs/dbraw/zinc/79/14/77/606791477.db2.gz PMQRVSGUPGBRFK-CQSZACIVSA-N -1 3 363.421 3.662 20 30 FHEDHM C=CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819734511 606791479 /nfs/dbraw/zinc/79/14/79/606791479.db2.gz PMQRVSGUPGBRFK-CQSZACIVSA-N -1 3 363.421 3.662 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822259097 606821006 /nfs/dbraw/zinc/82/10/06/606821006.db2.gz MIURSJJRDCMXJO-VOTSOKGWSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822259097 606821007 /nfs/dbraw/zinc/82/10/07/606821007.db2.gz MIURSJJRDCMXJO-VOTSOKGWSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1cc(Cl)c2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CCO2 ZINC000822201138 607122557 /nfs/dbraw/zinc/12/25/57/607122557.db2.gz SCXWFUXCKWPJII-CSKARUKUSA-N -1 3 372.837 3.939 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)c(F)c1 ZINC000822929121 607122795 /nfs/dbraw/zinc/12/27/95/607122795.db2.gz PWOLHVJICLXGSB-DAXSKMNVSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)c(F)c1 ZINC000822929121 607122796 /nfs/dbraw/zinc/12/27/96/607122796.db2.gz PWOLHVJICLXGSB-DAXSKMNVSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822930312 607171798 /nfs/dbraw/zinc/17/17/98/607171798.db2.gz YVGZUZMDGMMHLP-WDZFZDKYSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822930312 607171799 /nfs/dbraw/zinc/17/17/99/607171799.db2.gz YVGZUZMDGMMHLP-WDZFZDKYSA-N -1 3 353.385 3.825 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826292404 607883810 /nfs/dbraw/zinc/88/38/10/607883810.db2.gz TYYWKSPSORTQQU-BQYQJAHWSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826292404 607883811 /nfs/dbraw/zinc/88/38/11/607883811.db2.gz TYYWKSPSORTQQU-BQYQJAHWSA-N -1 3 356.332 3.673 20 30 FHEDHM O=C1c2cc(Cl)ccc2SCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476908 607884442 /nfs/dbraw/zinc/88/44/42/607884442.db2.gz RNEZEWGHDICBDQ-XFFZJAGNSA-N -1 3 354.822 3.892 20 30 FHEDHM O=C1c2cc(Cl)ccc2SCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476908 607884443 /nfs/dbraw/zinc/88/44/43/607884443.db2.gz RNEZEWGHDICBDQ-XFFZJAGNSA-N -1 3 354.822 3.892 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(-c2ccncc2)cc1 ZINC000826402393 607885030 /nfs/dbraw/zinc/88/50/30/607885030.db2.gz SGPILVYVKZKSOY-MDZDMXLPSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(-c2ccncc2)cc1 ZINC000826402393 607885031 /nfs/dbraw/zinc/88/50/31/607885031.db2.gz SGPILVYVKZKSOY-MDZDMXLPSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C1c2cc(OC(F)(F)F)ccc2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476072 607885211 /nfs/dbraw/zinc/88/52/11/607885211.db2.gz ADUZNAQTGZKBBG-GHXNOFRVSA-N -1 3 372.306 3.588 20 30 FHEDHM O=C1c2cc(OC(F)(F)F)ccc2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476072 607885212 /nfs/dbraw/zinc/88/52/12/607885212.db2.gz ADUZNAQTGZKBBG-GHXNOFRVSA-N -1 3 372.306 3.588 20 30 FHEDHM C=C[C@H](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823883354 607999930 /nfs/dbraw/zinc/99/99/30/607999930.db2.gz PCQMXPQKDADEDH-CYBMUJFWSA-N -1 3 353.451 3.843 20 30 FHEDHM C=C[C@H](CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823883354 607999931 /nfs/dbraw/zinc/99/99/31/607999931.db2.gz PCQMXPQKDADEDH-CYBMUJFWSA-N -1 3 353.451 3.843 20 30 FHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1ccc(-c2nnn[n-]2)cc1)CC3 ZINC000826212719 608228723 /nfs/dbraw/zinc/22/87/23/608228723.db2.gz ZJVFCIXKFNCTCS-GXDHUFHOSA-N -1 3 371.400 3.569 20 30 FHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1ccc(-c2nn[n-]n2)cc1)CC3 ZINC000826212719 608228725 /nfs/dbraw/zinc/22/87/25/608228725.db2.gz ZJVFCIXKFNCTCS-GXDHUFHOSA-N -1 3 371.400 3.569 20 30 FHEDHM O=C1c2cccc(Br)c2CC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826476014 608288759 /nfs/dbraw/zinc/28/87/59/608288759.db2.gz YUGLLDNSLQIZJZ-SOFGYWHQSA-N -1 3 373.235 3.513 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC000823909510 608291496 /nfs/dbraw/zinc/29/14/96/608291496.db2.gz GZPBNNRWTQIPIA-FQEVSTJZSA-N -1 3 373.460 3.575 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC000823909510 608291499 /nfs/dbraw/zinc/29/14/99/608291499.db2.gz GZPBNNRWTQIPIA-FQEVSTJZSA-N -1 3 373.460 3.575 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475506 608387433 /nfs/dbraw/zinc/38/74/33/608387433.db2.gz IGSUTXAXMSCWCE-WEVVVXLNSA-N -1 3 358.810 3.630 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475506 608387434 /nfs/dbraw/zinc/38/74/34/608387434.db2.gz IGSUTXAXMSCWCE-WEVVVXLNSA-N -1 3 358.810 3.630 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475674 608387463 /nfs/dbraw/zinc/38/74/63/608387463.db2.gz MUQCSNQMUWGIAH-YRNVUSSQSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475674 608387465 /nfs/dbraw/zinc/38/74/65/608387465.db2.gz MUQCSNQMUWGIAH-YRNVUSSQSA-N -1 3 370.771 3.708 20 30 FHEDHM C[C@H]1C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@H]1c1ccccc1 ZINC000824857472 608540249 /nfs/dbraw/zinc/54/02/49/608540249.db2.gz CJTBPPOXBRUREA-ZWNOBZJWSA-N -1 3 353.817 3.507 20 30 FHEDHM C[C@H]1C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@H]1c1ccccc1 ZINC000824857472 608540251 /nfs/dbraw/zinc/54/02/51/608540251.db2.gz CJTBPPOXBRUREA-ZWNOBZJWSA-N -1 3 353.817 3.507 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826292063 608877445 /nfs/dbraw/zinc/87/74/45/608877445.db2.gz GRBUODDMKLKABF-XQRVVYSFSA-N -1 3 374.322 3.812 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826292063 608877447 /nfs/dbraw/zinc/87/74/47/608877447.db2.gz GRBUODDMKLKABF-XQRVVYSFSA-N -1 3 374.322 3.812 20 30 FHEDHM O=C1c2cccc(F)c2SCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475619 608878559 /nfs/dbraw/zinc/87/85/59/608878559.db2.gz LRALFDCAZAGTGA-POHAHGRESA-N -1 3 356.357 3.517 20 30 FHEDHM O=C1c2cccc(F)c2SCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475619 608878563 /nfs/dbraw/zinc/87/85/63/608878563.db2.gz LRALFDCAZAGTGA-POHAHGRESA-N -1 3 356.357 3.517 20 30 FHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CCO2 ZINC000826263480 608880505 /nfs/dbraw/zinc/88/05/05/608880505.db2.gz CSZSIJSWIOMPRZ-NTEUORMPSA-N -1 3 364.380 3.671 20 30 FHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CCO2 ZINC000826263480 608880510 /nfs/dbraw/zinc/88/05/10/608880510.db2.gz CSZSIJSWIOMPRZ-NTEUORMPSA-N -1 3 364.380 3.671 20 30 FHEDHM CC(C)Oc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000824333412 609271142 /nfs/dbraw/zinc/27/11/42/609271142.db2.gz JJMQWAIPDSVAET-RMKNXTFCSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000824333412 609271143 /nfs/dbraw/zinc/27/11/43/609271143.db2.gz JJMQWAIPDSVAET-RMKNXTFCSA-N -1 3 352.369 3.689 20 30 FHEDHM CCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825339353 609271908 /nfs/dbraw/zinc/27/19/08/609271908.db2.gz XLOBFSOVPMEHCU-BJMVGYQFSA-N -1 3 352.369 3.691 20 30 FHEDHM CCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825339353 609271909 /nfs/dbraw/zinc/27/19/09/609271909.db2.gz XLOBFSOVPMEHCU-BJMVGYQFSA-N -1 3 352.369 3.691 20 30 FHEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000824141445 609273729 /nfs/dbraw/zinc/27/37/29/609273729.db2.gz HHJABSPBMNVSKZ-ALCCZGGFSA-N -1 3 357.414 3.656 20 30 FHEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000824141445 609273731 /nfs/dbraw/zinc/27/37/31/609273731.db2.gz HHJABSPBMNVSKZ-ALCCZGGFSA-N -1 3 357.414 3.656 20 30 FHEDHM C=C(C)CN(CC)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823877831 609310378 /nfs/dbraw/zinc/31/03/78/609310378.db2.gz HGVXJMQTDFITAT-UHFFFAOYSA-N -1 3 363.421 3.697 20 30 FHEDHM C=C(C)CN(CC)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823877831 609310380 /nfs/dbraw/zinc/31/03/80/609310380.db2.gz HGVXJMQTDFITAT-UHFFFAOYSA-N -1 3 363.421 3.697 20 30 FHEDHM C=C(C)CN(C)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823873601 609346072 /nfs/dbraw/zinc/34/60/72/609346072.db2.gz NZNACVQFCFULFH-UHFFFAOYSA-N -1 3 365.462 3.666 20 30 FHEDHM C=C(C)CN(C)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823873601 609346074 /nfs/dbraw/zinc/34/60/74/609346074.db2.gz NZNACVQFCFULFH-UHFFFAOYSA-N -1 3 365.462 3.666 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nc2c(s1)CCCC2 ZINC000823958126 609472337 /nfs/dbraw/zinc/47/23/37/609472337.db2.gz DGHCMLOLNBUTKF-UHFFFAOYSA-N -1 3 373.873 3.692 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc2c(s1)CCCC2 ZINC000823958126 609472340 /nfs/dbraw/zinc/47/23/40/609472340.db2.gz DGHCMLOLNBUTKF-UHFFFAOYSA-N -1 3 373.873 3.692 20 30 FHEDHM CCC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000825029173 609472994 /nfs/dbraw/zinc/47/29/94/609472994.db2.gz OGRHTRSVRXVLKN-UHFFFAOYSA-N -1 3 371.788 3.655 20 30 FHEDHM CCC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000825029173 609472996 /nfs/dbraw/zinc/47/29/96/609472996.db2.gz OGRHTRSVRXVLKN-UHFFFAOYSA-N -1 3 371.788 3.655 20 30 FHEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000065617501 937185388 /nfs/dbraw/zinc/18/53/88/937185388.db2.gz BBPCUVFGDNEIRM-UHFFFAOYSA-N -1 3 365.433 3.831 20 30 FHEDHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(F)c1 ZINC000186975894 927733046 /nfs/dbraw/zinc/73/30/46/927733046.db2.gz UDKNZXNQKVNFCW-UHFFFAOYSA-N -1 3 368.817 3.939 20 30 FHEDHM CCCS(=O)(=O)Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000254972599 928605926 /nfs/dbraw/zinc/60/59/26/928605926.db2.gz PNRCQILLZKUBNM-UHFFFAOYSA-N -1 3 352.843 3.948 20 30 FHEDHM COc1cc(C(=O)/C=C\c2ccc(OC(F)F)cc2)c(OC)cc1[O-] ZINC000255026266 929254605 /nfs/dbraw/zinc/25/46/05/929254605.db2.gz HKGCYHVKGITHNE-YVMONPNESA-N -1 3 350.317 3.907 20 30 FHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=CSc1ccccc1 ZINC000255277542 931603588 /nfs/dbraw/zinc/60/35/88/931603588.db2.gz FWCKOXFNXSZJPP-QYMJWVLRSA-N -1 3 352.415 3.649 20 30 FHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccnc(OCc2ccccc2)c1 ZINC000121293001 931903923 /nfs/dbraw/zinc/90/39/23/931903923.db2.gz KWXSUCDZOVAARI-IBGZPJMESA-N -1 3 371.396 3.622 20 30 FHEDHM CN(C)C(=O)Cc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000255383169 932962357 /nfs/dbraw/zinc/96/23/57/932962357.db2.gz KKNRIPBUKZOMEK-UHFFFAOYSA-N -1 3 361.239 3.536 20 30 FHEDHM N#CC(=C([O-])C=Cc1cncc(F)c1)c1nc2ccccc2n1C(F)F ZINC000255394211 933123528 /nfs/dbraw/zinc/12/35/28/933123528.db2.gz SYIPCQACFTUPFV-SZZPACECSA-N -1 3 356.307 3.855 20 30 FHEDHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000610855918 934519330 /nfs/dbraw/zinc/51/93/30/934519330.db2.gz UEETUANARNALDM-UHFFFAOYSA-N -1 3 357.218 3.674 20 30 FHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000255553480 936162696 /nfs/dbraw/zinc/16/26/96/936162696.db2.gz DZMYWHSUMGGGMZ-DZWVFDFXSA-N -1 3 368.216 3.623 20 30 FHEDHM [O-]c1ccc(Cl)cc1C=Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000588578220 938298661 /nfs/dbraw/zinc/29/86/61/938298661.db2.gz YZCPSDRISHCRIC-UHFFFAOYSA-N -1 3 352.825 3.925 20 30 FHEDHM Cc1csc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C#N ZINC000584137852 938615118 /nfs/dbraw/zinc/61/51/18/938615118.db2.gz IBOBDDLZLZEIRC-UHFFFAOYSA-N -1 3 366.196 3.851 20 30 FHEDHM N#C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(Br)c1 ZINC000584424406 938853771 /nfs/dbraw/zinc/85/37/71/938853771.db2.gz ZTNMKLSDOMQVEH-CQSZACIVSA-N -1 3 365.614 3.803 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1CCC(C)C ZINC000128260039 938968299 /nfs/dbraw/zinc/96/82/99/938968299.db2.gz RMFCLWYKBVUUMK-KRWDZBQOSA-N -1 3 357.498 3.613 20 30 FHEDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(F)(F)F ZINC000548837364 938983766 /nfs/dbraw/zinc/98/37/66/938983766.db2.gz YFBZSZNNAFBQOY-LLVKDONJSA-N -1 3 374.306 3.586 20 30 FHEDHM COc1cc(N=Cc2cc(Br)ccc2[O-])ccc1NC(C)=O ZINC000255694439 939120423 /nfs/dbraw/zinc/12/04/23/939120423.db2.gz VFSBLKUYVJNRFQ-UHFFFAOYSA-N -1 3 363.211 3.872 20 30 FHEDHM Cc1cc([C@H]2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)cs1 ZINC000364384794 939936249 /nfs/dbraw/zinc/93/62/49/939936249.db2.gz XYQRUAWPBLPCAX-HNNXBMFYSA-N -1 3 369.490 3.594 20 30 FHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3c(c2)SCC(=O)N3)s1 ZINC000685808677 940284477 /nfs/dbraw/zinc/28/44/77/940284477.db2.gz CVWNQDDEQWSWIS-NSHDSACASA-N -1 3 371.487 3.975 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NC=C1c2ccccc2C(=O)[N-]C1=O ZINC000255913916 941024802 /nfs/dbraw/zinc/02/48/02/941024802.db2.gz IIWGTSDWYHSDDG-OPCAMPFDSA-N -1 3 363.442 3.804 20 30 FHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3csc(N4CCCCC4)n3)nc21 ZINC000892707111 941385886 /nfs/dbraw/zinc/38/58/86/941385886.db2.gz ZRYALIJEAAOCIE-ZDUSSCGKSA-N -1 3 365.462 3.808 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416303065 942632681 /nfs/dbraw/zinc/63/26/81/942632681.db2.gz GPAQBNGQCJZKPR-ROUUACIJSA-N -1 3 357.498 3.882 20 30 FHEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000664444632 942943048 /nfs/dbraw/zinc/94/30/48/942943048.db2.gz MKIDAJMZJNXZDZ-CALCHBBNSA-N -1 3 350.422 3.873 20 30 FHEDHM N#Cc1ccccc1-c1ccc(CNC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000503554125 943256370 /nfs/dbraw/zinc/25/63/70/943256370.db2.gz MCWOZCSJCAGUFJ-UHFFFAOYSA-N -1 3 371.375 3.566 20 30 FHEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000435591787 943507810 /nfs/dbraw/zinc/50/78/10/943507810.db2.gz HDTUXGFYYFQRFJ-FZMZJTMJSA-N -1 3 364.294 3.561 20 30 FHEDHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000709491614 944659243 /nfs/dbraw/zinc/65/92/43/944659243.db2.gz CDOMAEXCAWBGBE-UHFFFAOYSA-N -1 3 352.319 3.781 20 30 FHEDHM C=CCc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cc(OC)c1O ZINC000426721946 944722044 /nfs/dbraw/zinc/72/20/44/944722044.db2.gz FGFQTNGYJVFCBT-LJQANCHMSA-N -1 3 355.434 3.662 20 30 FHEDHM N#CCCCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426727990 944761090 /nfs/dbraw/zinc/76/10/90/944761090.db2.gz RWBZXCQXNYALJL-SFHVURJKSA-N -1 3 358.825 3.938 20 30 FHEDHM C=CCN(C(=O)c1ccc(C)cc1[O-])[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444383577 946459829 /nfs/dbraw/zinc/45/98/29/946459829.db2.gz PWRCPFAOEMXHHM-IBGZPJMESA-N -1 3 367.445 3.503 20 30 FHEDHM C=CCCC[C@H](C)NC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823893881 946501277 /nfs/dbraw/zinc/50/12/77/946501277.db2.gz AMSJUHSWJQZTMY-HNNXBMFYSA-N -1 3 356.474 3.533 20 30 FHEDHM C=CCCC[C@H](C)NC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823893881 946501286 /nfs/dbraw/zinc/50/12/86/946501286.db2.gz AMSJUHSWJQZTMY-HNNXBMFYSA-N -1 3 356.474 3.533 20 30 FHEDHM CC(=NNc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823958076 946528641 /nfs/dbraw/zinc/52/86/41/946528641.db2.gz BATJYJQLYUQKHK-UHFFFAOYSA-N -1 3 370.335 3.922 20 30 FHEDHM CC(=NNc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958480 946528699 /nfs/dbraw/zinc/52/86/99/946528699.db2.gz ORGKMJQOLZFEAU-UHFFFAOYSA-N -1 3 352.345 3.783 20 30 FHEDHM C#CCC(C)(C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@H](C)CC2 ZINC001573280037 946652717 /nfs/dbraw/zinc/65/27/17/946652717.db2.gz MPLPFPJMGMZIJM-MNOVXSKESA-N -1 3 357.483 3.602 20 30 FHEDHM C#CCC(C)(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@H](C)CC2 ZINC001573280037 946652722 /nfs/dbraw/zinc/65/27/22/946652722.db2.gz MPLPFPJMGMZIJM-MNOVXSKESA-N -1 3 357.483 3.602 20 30 FHEDHM CC(C)Oc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000824333010 946661630 /nfs/dbraw/zinc/66/16/30/946661630.db2.gz CLBQGFGBASTFAV-RMKNXTFCSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000824333010 946661639 /nfs/dbraw/zinc/66/16/39/946661639.db2.gz CLBQGFGBASTFAV-RMKNXTFCSA-N -1 3 352.369 3.689 20 30 FHEDHM C=C[C@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccccc1 ZINC000536269853 946691426 /nfs/dbraw/zinc/69/14/26/946691426.db2.gz OIMJHMCSYZCJDB-CQSZACIVSA-N -1 3 362.389 3.705 20 30 FHEDHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1c(F)cccc1F ZINC000475595605 946828449 /nfs/dbraw/zinc/82/84/49/946828449.db2.gz LLDFYPCZBWDLMW-SECBINFHSA-N -1 3 356.781 3.529 20 30 FHEDHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824669986 946891574 /nfs/dbraw/zinc/89/15/74/946891574.db2.gz JTWXLMQSUVREOL-CQSZACIVSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824669986 946891585 /nfs/dbraw/zinc/89/15/85/946891585.db2.gz JTWXLMQSUVREOL-CQSZACIVSA-N -1 3 367.416 3.973 20 30 FHEDHM O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc([O-])ccc1Cl ZINC000330591421 947221070 /nfs/dbraw/zinc/22/10/70/947221070.db2.gz QVMMNZCGCBMECW-XPTSAGLGSA-N -1 3 351.752 3.834 20 30 FHEDHM C=CC[C@H]1N(C(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)CCCC1(C)C ZINC001573329423 947420135 /nfs/dbraw/zinc/42/01/35/947420135.db2.gz JXDFRERYVHJALI-MRXNPFEDSA-N -1 3 353.470 3.690 20 30 FHEDHM C=CC[C@H]1N(C(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)CCCC1(C)C ZINC001573329423 947420140 /nfs/dbraw/zinc/42/01/40/947420140.db2.gz JXDFRERYVHJALI-MRXNPFEDSA-N -1 3 353.470 3.690 20 30 FHEDHM C=CCCCCCCNC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001573335655 947484556 /nfs/dbraw/zinc/48/45/56/947484556.db2.gz RSMLNISRQOHDNL-GOSISDBHSA-N -1 3 368.485 3.680 20 30 FHEDHM C=CCCCCCCNC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001573335655 947484566 /nfs/dbraw/zinc/48/45/66/947484566.db2.gz RSMLNISRQOHDNL-GOSISDBHSA-N -1 3 368.485 3.680 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C=C\CCc1ccccc1 ZINC001573342156 947539897 /nfs/dbraw/zinc/53/98/97/947539897.db2.gz VDSQJCFVLRCZRR-AUWJEWJLSA-N -1 3 373.460 3.570 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C=C\CCc1ccccc1 ZINC001573342156 947539903 /nfs/dbraw/zinc/53/99/03/947539903.db2.gz VDSQJCFVLRCZRR-AUWJEWJLSA-N -1 3 373.460 3.570 20 30 FHEDHM COc1cccc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)oc21 ZINC000826218254 947647860 /nfs/dbraw/zinc/64/78/60/947647860.db2.gz WCSMWFHVBKTSNH-SOFGYWHQSA-N -1 3 364.336 3.657 20 30 FHEDHM COc1cccc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)oc21 ZINC000826218254 947647863 /nfs/dbraw/zinc/64/78/63/947647863.db2.gz WCSMWFHVBKTSNH-SOFGYWHQSA-N -1 3 364.336 3.657 20 30 FHEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C2CCCCC2)n1 ZINC000826359624 948115952 /nfs/dbraw/zinc/11/59/52/948115952.db2.gz MBWQQDMJGNVWRH-QXMHVHEDSA-N -1 3 362.437 3.544 20 30 FHEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C2CCCCC2)n1 ZINC000826359624 948115960 /nfs/dbraw/zinc/11/59/60/948115960.db2.gz MBWQQDMJGNVWRH-QXMHVHEDSA-N -1 3 362.437 3.544 20 30 FHEDHM O=C(C=Cc1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403174 948226072 /nfs/dbraw/zinc/22/60/72/948226072.db2.gz LQGAGASDIFNODY-CSKARUKUSA-N -1 3 364.380 3.691 20 30 FHEDHM O=C(C=Cc1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403174 948226078 /nfs/dbraw/zinc/22/60/78/948226078.db2.gz LQGAGASDIFNODY-CSKARUKUSA-N -1 3 364.380 3.691 20 30 FHEDHM O=C(COc1ccc(Cl)c2cccnc12)Nc1nnc(C(F)(F)F)[n-]1 ZINC000051266383 205181458 /nfs/dbraw/zinc/18/14/58/205181458.db2.gz QHDOATVVOBNALB-UHFFFAOYSA-N -1 3 371.706 3.692 20 30 FHEDHM O=C(COc1ccc(Cl)c2cccnc12)Nc1nc(C(F)(F)F)n[n-]1 ZINC000051266383 205181460 /nfs/dbraw/zinc/18/14/60/205181460.db2.gz QHDOATVVOBNALB-UHFFFAOYSA-N -1 3 371.706 3.692 20 30 FHEDHM CCOc1cc(CN2CCC(CC#N)CC2)cc(Br)c1[O-] ZINC000563110822 568196978 /nfs/dbraw/zinc/19/69/78/568196978.db2.gz VGNUVSXJKFBFNV-UHFFFAOYSA-N -1 3 353.260 3.679 20 30 FHEDHM Oc1ccccc1C=NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000738400168 598825219 /nfs/dbraw/zinc/82/52/19/598825219.db2.gz FASMISDQCSHPLP-UDWIEESQSA-N -1 3 361.430 3.920 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738289071 598862523 /nfs/dbraw/zinc/86/25/23/598862523.db2.gz FUNUCSMFGGQNIS-FMIVXFBMSA-N -1 3 352.781 3.569 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738289071 598862524 /nfs/dbraw/zinc/86/25/24/598862524.db2.gz FUNUCSMFGGQNIS-FMIVXFBMSA-N -1 3 352.781 3.569 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C1CCC(C)CC1 ZINC000735419766 598927105 /nfs/dbraw/zinc/92/71/05/598927105.db2.gz ZTWJNHDPTHTAAY-UHFFFAOYSA-N -1 3 351.454 3.518 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C1CCC(C)CC1 ZINC000735419766 598927107 /nfs/dbraw/zinc/92/71/07/598927107.db2.gz ZTWJNHDPTHTAAY-UHFFFAOYSA-N -1 3 351.454 3.518 20 30 FHEDHM Cc1ccc(-c2ncc(C=NNc3ccc(-c4nn[n-]n4)cc3)s2)cc1 ZINC000737287999 598978441 /nfs/dbraw/zinc/97/84/41/598978441.db2.gz JKIVKHKOEVMQKP-UHFFFAOYSA-N -1 3 361.434 3.745 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000735421398 599015178 /nfs/dbraw/zinc/01/51/78/599015178.db2.gz YJHOXFUZNVCHON-SFHVURJKSA-N -1 3 373.460 3.501 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000735421398 599015179 /nfs/dbraw/zinc/01/51/79/599015179.db2.gz YJHOXFUZNVCHON-SFHVURJKSA-N -1 3 373.460 3.501 20 30 FHEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cccc(-c2ccncc2)c1 ZINC000735450766 599067388 /nfs/dbraw/zinc/06/73/88/599067388.db2.gz CZJYHHDDRUMLSE-UHFFFAOYSA-N -1 3 355.405 3.765 20 30 FHEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cccc(-c2ccncc2)c1 ZINC000735450766 599067390 /nfs/dbraw/zinc/06/73/90/599067390.db2.gz CZJYHHDDRUMLSE-UHFFFAOYSA-N -1 3 355.405 3.765 20 30 FHEDHM Cc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(OC(F)F)cc1C ZINC000822199084 599111500 /nfs/dbraw/zinc/11/15/00/599111500.db2.gz VZWZVZYNGMBIIC-SREVYHEPSA-N -1 3 370.359 3.981 20 30 FHEDHM Cc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(OC(F)F)cc1C ZINC000822199084 599111502 /nfs/dbraw/zinc/11/15/02/599111502.db2.gz VZWZVZYNGMBIIC-SREVYHEPSA-N -1 3 370.359 3.981 20 30 FHEDHM N#Cc1ccc(Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)nc1 ZINC000822833833 599111683 /nfs/dbraw/zinc/11/16/83/599111683.db2.gz WUDXUVXFOREYDT-UHFFFAOYSA-N -1 3 373.351 3.808 20 30 FHEDHM N#Cc1ccc(Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)nc1 ZINC000822833833 599111686 /nfs/dbraw/zinc/11/16/86/599111686.db2.gz WUDXUVXFOREYDT-UHFFFAOYSA-N -1 3 373.351 3.808 20 30 FHEDHM CC(C)Oc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000820155575 599112261 /nfs/dbraw/zinc/11/22/61/599112261.db2.gz SBSPEOKIXFVXLX-WJDWOHSUSA-N -1 3 360.417 3.866 20 30 FHEDHM CC(C)Oc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000820155575 599112263 /nfs/dbraw/zinc/11/22/63/599112263.db2.gz SBSPEOKIXFVXLX-WJDWOHSUSA-N -1 3 360.417 3.866 20 30 FHEDHM C=CCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000819759235 599112387 /nfs/dbraw/zinc/11/23/87/599112387.db2.gz QJGXZWFXJWJNPP-LFIBNONCSA-N -1 3 358.401 3.644 20 30 FHEDHM C=CCOc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000819759235 599112389 /nfs/dbraw/zinc/11/23/89/599112389.db2.gz QJGXZWFXJWJNPP-LFIBNONCSA-N -1 3 358.401 3.644 20 30 FHEDHM C=CCOc1ccccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000819759221 599112805 /nfs/dbraw/zinc/11/28/05/599112805.db2.gz QEJMSHWUJBPFGN-SSZFMOIBSA-N -1 3 358.401 3.644 20 30 FHEDHM C=CCOc1ccccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000819759221 599112808 /nfs/dbraw/zinc/11/28/08/599112808.db2.gz QEJMSHWUJBPFGN-SSZFMOIBSA-N -1 3 358.401 3.644 20 30 FHEDHM C=CCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735438065 599215638 /nfs/dbraw/zinc/21/56/38/599215638.db2.gz WPGLRAYJZDJVEI-UHFFFAOYSA-N -1 3 356.769 3.655 20 30 FHEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735409657 599217729 /nfs/dbraw/zinc/21/77/29/599217729.db2.gz HXRZIOBMSZDRKD-CYBMUJFWSA-N -1 3 364.409 3.745 20 30 FHEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735409657 599217731 /nfs/dbraw/zinc/21/77/31/599217731.db2.gz HXRZIOBMSZDRKD-CYBMUJFWSA-N -1 3 364.409 3.745 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C=C\C1CCCCC1 ZINC000735419298 599247988 /nfs/dbraw/zinc/24/79/88/599247988.db2.gz RLVJRCRXPMGTDI-QXMHVHEDSA-N -1 3 351.454 3.518 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C=C\C1CCCCC1 ZINC000735419298 599247990 /nfs/dbraw/zinc/24/79/90/599247990.db2.gz RLVJRCRXPMGTDI-QXMHVHEDSA-N -1 3 351.454 3.518 20 30 FHEDHM CC(C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2)=Cc1ccccc1 ZINC000735964274 598376748 /nfs/dbraw/zinc/37/67/48/598376748.db2.gz XKOHXLQFMDYKHR-SEGPTZFDSA-N -1 3 359.433 3.765 20 30 FHEDHM CC(C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2)=Cc1ccccc1 ZINC000735964274 598376749 /nfs/dbraw/zinc/37/67/49/598376749.db2.gz XKOHXLQFMDYKHR-SEGPTZFDSA-N -1 3 359.433 3.765 20 30 FHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737798620 598537930 /nfs/dbraw/zinc/53/79/30/598537930.db2.gz MXRVLYQYNRIAAQ-WTKPLQERSA-N -1 3 360.295 3.661 20 30 FHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737798620 598537932 /nfs/dbraw/zinc/53/79/32/598537932.db2.gz MXRVLYQYNRIAAQ-WTKPLQERSA-N -1 3 360.295 3.661 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735975161 598554906 /nfs/dbraw/zinc/55/49/06/598554906.db2.gz NYOMGFFFUNOMOH-GFCCVEGCSA-N -1 3 364.434 3.513 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735975161 598554908 /nfs/dbraw/zinc/55/49/08/598554908.db2.gz NYOMGFFFUNOMOH-GFCCVEGCSA-N -1 3 364.434 3.513 20 30 FHEDHM N#Cc1ccc(NCCSCc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000737719591 598637544 /nfs/dbraw/zinc/63/75/44/598637544.db2.gz SRKXNFYDVCMRKW-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM N#Cc1ccc(NCCSCc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000737719591 598637545 /nfs/dbraw/zinc/63/75/45/598637545.db2.gz SRKXNFYDVCMRKW-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM COc1ccc(CCC(C)=NOCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737089599 598675574 /nfs/dbraw/zinc/67/55/74/598675574.db2.gz YKMVUCNIAOUYTJ-UHFFFAOYSA-N -1 3 369.400 3.540 20 30 FHEDHM COc1ccc(CCC(C)=NOCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737089599 598675576 /nfs/dbraw/zinc/67/55/76/598675576.db2.gz YKMVUCNIAOUYTJ-UHFFFAOYSA-N -1 3 369.400 3.540 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000822927840 607368356 /nfs/dbraw/zinc/36/83/56/607368356.db2.gz BLYKKZBQOAYEIB-SOFGYWHQSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000822927840 607368358 /nfs/dbraw/zinc/36/83/58/607368358.db2.gz BLYKKZBQOAYEIB-SOFGYWHQSA-N -1 3 362.286 3.921 20 30 FHEDHM CC(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735922919 599459988 /nfs/dbraw/zinc/45/99/88/599459988.db2.gz OMDOUPIDEVCLRP-CMDGGOBGSA-N -1 3 358.405 3.534 20 30 FHEDHM CC(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735922919 599459991 /nfs/dbraw/zinc/45/99/91/599459991.db2.gz OMDOUPIDEVCLRP-CMDGGOBGSA-N -1 3 358.405 3.534 20 30 FHEDHM N#CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC000739089144 599928546 /nfs/dbraw/zinc/92/85/46/599928546.db2.gz YVHGBPLLROMEEP-MRXNPFEDSA-N -1 3 364.323 3.523 20 30 FHEDHM C=CCC[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000819734871 607408234 /nfs/dbraw/zinc/40/82/34/607408234.db2.gz WAWLOGIPCCDZRE-MRXNPFEDSA-N -1 3 369.375 3.582 20 30 FHEDHM C=CCC[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000819734871 607408236 /nfs/dbraw/zinc/40/82/36/607408236.db2.gz WAWLOGIPCCDZRE-MRXNPFEDSA-N -1 3 369.375 3.582 20 30 FHEDHM N#CCOc1ccc(Cl)cc1CN(CCC(=O)[O-])Cc1ccccc1 ZINC000739088958 600318431 /nfs/dbraw/zinc/31/84/31/600318431.db2.gz XPZZGZOMCGJQCS-UHFFFAOYSA-N -1 3 358.825 3.719 20 30 FHEDHM CC[C@@H](C#N)Oc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736847568 600437322 /nfs/dbraw/zinc/43/73/22/600437322.db2.gz DQGGFRGBPVTEJI-FUHWJXTLSA-N -1 3 358.825 3.936 20 30 FHEDHM COCCSc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737824137 600597662 /nfs/dbraw/zinc/59/76/62/600597662.db2.gz PIXGWIPYWFIMBW-LIRRHRJNSA-N -1 3 370.474 3.773 20 30 FHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822000259 607460340 /nfs/dbraw/zinc/46/03/40/607460340.db2.gz CNAZWGJDZBCTNI-UGZWPXFQSA-N -1 3 358.423 3.828 20 30 FHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822000259 607460342 /nfs/dbraw/zinc/46/03/42/607460342.db2.gz CNAZWGJDZBCTNI-UGZWPXFQSA-N -1 3 358.423 3.828 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823503821 607460794 /nfs/dbraw/zinc/46/07/94/607460794.db2.gz JFRBOBRGMKCJQC-DHZHZOJOSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503821 607460796 /nfs/dbraw/zinc/46/07/96/607460796.db2.gz JFRBOBRGMKCJQC-DHZHZOJOSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C(C=Cc1cc(F)cc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000822923810 607458921 /nfs/dbraw/zinc/45/89/21/607458921.db2.gz VACPBWUXYYAVQI-SNAWJCMRSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1cc(F)cc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000822923810 607458922 /nfs/dbraw/zinc/45/89/22/607458922.db2.gz VACPBWUXYYAVQI-SNAWJCMRSA-N -1 3 362.286 3.921 20 30 FHEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000827717155 602303375 /nfs/dbraw/zinc/30/33/75/602303375.db2.gz DLWYCUBDWJPMPA-XCLFUZPHSA-N -1 3 368.408 3.963 20 30 FHEDHM CCC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000739299711 602670273 /nfs/dbraw/zinc/67/02/73/602670273.db2.gz AOVGZSMZFKFJBT-KGLIPLIRSA-N -1 3 357.435 3.731 20 30 FHEDHM C=CCC[C@@H](NCC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000833373472 605144425 /nfs/dbraw/zinc/14/44/25/605144425.db2.gz QGRYZYCJGPNAQY-GOSISDBHSA-N -1 3 352.434 3.929 20 30 FHEDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(C#N)cc2Br)C1 ZINC000833418892 605381401 /nfs/dbraw/zinc/38/14/01/605381401.db2.gz CEHZSBSPUPSWKT-AWEZNQCLSA-N -1 3 365.271 3.644 20 30 FHEDHM C=C(Cl)COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819729974 606304912 /nfs/dbraw/zinc/30/49/12/606304912.db2.gz OLFZHEADIZZMKT-VOTSOKGWSA-N -1 3 372.837 3.956 20 30 FHEDHM C=C(Cl)COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819729974 606304914 /nfs/dbraw/zinc/30/49/14/606304914.db2.gz OLFZHEADIZZMKT-VOTSOKGWSA-N -1 3 372.837 3.956 20 30 FHEDHM O=C(C=Cc1cnc(-c2cccs2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000822937067 606339926 /nfs/dbraw/zinc/33/99/26/606339926.db2.gz ZJQVBWVTBYPNAG-VOTSOKGWSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1cnc(-c2cccs2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000822937067 606339928 /nfs/dbraw/zinc/33/99/28/606339928.db2.gz ZJQVBWVTBYPNAG-VOTSOKGWSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Br)s1 ZINC000822922997 606388261 /nfs/dbraw/zinc/38/82/61/606388261.db2.gz MACVMCRXIVKZCD-IWQZZHSRSA-N -1 3 367.253 3.648 20 30 FHEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)ccc1SC ZINC000821703320 606390603 /nfs/dbraw/zinc/39/06/03/606390603.db2.gz ZCOSBXDOZRHJAC-XQRVVYSFSA-N -1 3 358.448 3.555 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1nc(-c2ccccc2)cs1 ZINC000822928273 606391402 /nfs/dbraw/zinc/39/14/02/606391402.db2.gz FYQNTLVGFWSZHX-VURMDHGXSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1c[nH]c2cc(Cl)ccc12 ZINC000822922482 606391515 /nfs/dbraw/zinc/39/15/15/606391515.db2.gz GMGLUFJLCSUDFQ-GORDUTHDSA-N -1 3 355.810 3.959 20 30 FHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CCO2 ZINC000822213132 606392747 /nfs/dbraw/zinc/39/27/47/606392747.db2.gz WCHVMPKTBUWRCP-FMIVXFBMSA-N -1 3 352.419 3.594 20 30 FHEDHM N#Cc1ccc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000822833702 606591700 /nfs/dbraw/zinc/59/17/00/606591700.db2.gz VAZCKVZCYDWRGA-UHFFFAOYSA-N -1 3 359.361 3.632 20 30 FHEDHM N#Cc1ccc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000822833702 606591702 /nfs/dbraw/zinc/59/17/02/606591702.db2.gz VAZCKVZCYDWRGA-UHFFFAOYSA-N -1 3 359.361 3.632 20 30 FHEDHM N#Cc1ccc(CSCc2ccccc2-c2nnn[n-]2)c(OC(F)F)c1 ZINC000822826086 606599397 /nfs/dbraw/zinc/59/93/97/606599397.db2.gz UJOHYTJWTUMKEO-UHFFFAOYSA-N -1 3 373.388 3.773 20 30 FHEDHM N#Cc1ccc(CSCc2ccccc2-c2nn[n-]n2)c(OC(F)F)c1 ZINC000822826086 606599398 /nfs/dbraw/zinc/59/93/98/606599398.db2.gz UJOHYTJWTUMKEO-UHFFFAOYSA-N -1 3 373.388 3.773 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C/C=C/c1ccc(C)cc1 ZINC000819742939 606618810 /nfs/dbraw/zinc/61/88/10/606618810.db2.gz CCZASWYRTNAMCA-AATRIKPKSA-N -1 3 373.460 3.793 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C/C=C/c1ccc(C)cc1 ZINC000819742939 606618812 /nfs/dbraw/zinc/61/88/12/606618812.db2.gz CCZASWYRTNAMCA-AATRIKPKSA-N -1 3 373.460 3.793 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822259300 606762049 /nfs/dbraw/zinc/76/20/49/606762049.db2.gz SUUYWJMHWUSSQE-FPLPWBNLSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822259300 606762050 /nfs/dbraw/zinc/76/20/50/606762050.db2.gz SUUYWJMHWUSSQE-FPLPWBNLSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CCO2 ZINC000822195215 606836043 /nfs/dbraw/zinc/83/60/43/606836043.db2.gz KELNUDKTAOVQQN-XFXZXTDPSA-N -1 3 352.419 3.594 20 30 FHEDHM N#Cc1cccc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822837821 607017361 /nfs/dbraw/zinc/01/73/61/607017361.db2.gz UYAMQNNCIFMFDT-UHFFFAOYSA-N -1 3 359.361 3.632 20 30 FHEDHM N#Cc1cccc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822837821 607017362 /nfs/dbraw/zinc/01/73/62/607017362.db2.gz UYAMQNNCIFMFDT-UHFFFAOYSA-N -1 3 359.361 3.632 20 30 FHEDHM CC(C)c1cccc2c1OCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000824353251 607813825 /nfs/dbraw/zinc/81/38/25/607813825.db2.gz ZNZXDSKQSKDLJE-IZZDOVSWSA-N -1 3 352.419 3.710 20 30 FHEDHM CC(C)c1cccc2c1OCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000824353251 607813826 /nfs/dbraw/zinc/81/38/26/607813826.db2.gz ZNZXDSKQSKDLJE-IZZDOVSWSA-N -1 3 352.419 3.710 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(Br)c1 ZINC000826402243 607882952 /nfs/dbraw/zinc/88/29/52/607882952.db2.gz POJZUOWIPIYGNJ-HJWRWDBZSA-N -1 3 355.195 3.525 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(Br)c1 ZINC000826402243 607882953 /nfs/dbraw/zinc/88/29/53/607882953.db2.gz POJZUOWIPIYGNJ-HJWRWDBZSA-N -1 3 355.195 3.525 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cc(Br)ccc1F ZINC000826401782 607885313 /nfs/dbraw/zinc/88/53/13/607885313.db2.gz GQMNKEJVHSUTAP-VMPITWQZSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cc(Br)ccc1F ZINC000826401782 607885314 /nfs/dbraw/zinc/88/53/14/607885314.db2.gz GQMNKEJVHSUTAP-VMPITWQZSA-N -1 3 373.185 3.664 20 30 FHEDHM C=C[C@H](CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882659 607966878 /nfs/dbraw/zinc/96/68/78/607966878.db2.gz BDFGYMCHYMCKEO-GFCCVEGCSA-N -1 3 353.813 3.819 20 30 FHEDHM C=C[C@H](CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882659 607966879 /nfs/dbraw/zinc/96/68/79/607966879.db2.gz BDFGYMCHYMCKEO-GFCCVEGCSA-N -1 3 353.813 3.819 20 30 FHEDHM C=C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823883217 608005991 /nfs/dbraw/zinc/00/59/91/608005991.db2.gz LARTVRPOJNQDHU-GFCCVEGCSA-N -1 3 353.813 3.819 20 30 FHEDHM C=C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823883217 608005992 /nfs/dbraw/zinc/00/59/92/608005992.db2.gz LARTVRPOJNQDHU-GFCCVEGCSA-N -1 3 353.813 3.819 20 30 FHEDHM COc1ccc(C=C2C(=O)c3cccc4c3[C@H]2CCC4)cc1-c1nnn[n-]1 ZINC000826190856 608109311 /nfs/dbraw/zinc/10/93/11/608109311.db2.gz PJHLASDSTVDXPL-FBKCMUNRSA-N -1 3 358.401 3.575 20 30 FHEDHM COc1ccc(C=C2C(=O)c3cccc4c3[C@H]2CCC4)cc1-c1nn[n-]n1 ZINC000826190856 608109312 /nfs/dbraw/zinc/10/93/12/608109312.db2.gz PJHLASDSTVDXPL-FBKCMUNRSA-N -1 3 358.401 3.575 20 30 FHEDHM N#Cc1c(Cl)cccc1SCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826383374 608207674 /nfs/dbraw/zinc/20/76/74/608207674.db2.gz XVUWLWWIAODGKM-UHFFFAOYSA-N -1 3 357.826 3.563 20 30 FHEDHM N#Cc1c(Cl)cccc1SCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826383374 608207676 /nfs/dbraw/zinc/20/76/76/608207676.db2.gz XVUWLWWIAODGKM-UHFFFAOYSA-N -1 3 357.826 3.563 20 30 FHEDHM Fc1cc(Cl)c(NN=Cc2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000826372490 608476110 /nfs/dbraw/zinc/47/61/10/608476110.db2.gz YZQAPBACIRCSCS-UHFFFAOYSA-N -1 3 357.201 3.820 20 30 FHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(F)c(Cl)c1 ZINC000823953693 608536797 /nfs/dbraw/zinc/53/67/97/608536797.db2.gz MFGDVDKPHLYTKR-UHFFFAOYSA-N -1 3 366.187 3.544 20 30 FHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)c(Cl)c1 ZINC000823953693 608536799 /nfs/dbraw/zinc/53/67/99/608536799.db2.gz MFGDVDKPHLYTKR-UHFFFAOYSA-N -1 3 366.187 3.544 20 30 FHEDHM C=CCN(Cc1cnc(C(C)C)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914815 608632579 /nfs/dbraw/zinc/63/25/79/608632579.db2.gz NZOPHEDYYUJHOV-UHFFFAOYSA-N -1 3 354.483 3.635 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(OC(F)F)c1 ZINC000826400947 608878645 /nfs/dbraw/zinc/87/86/45/608878645.db2.gz LRAZKHSRQZNPST-FNORWQNLSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(OC(F)F)c1 ZINC000826400947 608878649 /nfs/dbraw/zinc/87/86/49/608878649.db2.gz LRAZKHSRQZNPST-FNORWQNLSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402880 609273096 /nfs/dbraw/zinc/27/30/96/609273096.db2.gz FBBIZKABEDMMPG-SOFGYWHQSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402880 609273097 /nfs/dbraw/zinc/27/30/97/609273097.db2.gz FBBIZKABEDMMPG-SOFGYWHQSA-N -1 3 360.295 3.503 20 30 FHEDHM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc2O1 ZINC000824813473 609273456 /nfs/dbraw/zinc/27/34/56/609273456.db2.gz ZPTCPHZDDWVJLL-XVNBXDOJSA-N -1 3 364.380 3.615 20 30 FHEDHM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)ccc2O1 ZINC000824813473 609273458 /nfs/dbraw/zinc/27/34/58/609273458.db2.gz ZPTCPHZDDWVJLL-XVNBXDOJSA-N -1 3 364.380 3.615 20 30 FHEDHM COc1c(C)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000826167017 609274308 /nfs/dbraw/zinc/27/43/08/609274308.db2.gz MDUWIBNCPXJFNR-DAXSKMNVSA-N -1 3 352.369 3.527 20 30 FHEDHM COc1c(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000826167017 609274310 /nfs/dbraw/zinc/27/43/10/609274310.db2.gz MDUWIBNCPXJFNR-DAXSKMNVSA-N -1 3 352.369 3.527 20 30 FHEDHM O=C(C=Cc1cnc(C2CCC2)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403053 609274681 /nfs/dbraw/zinc/27/46/81/609274681.db2.gz IVGYJSNVLSKSJE-ALCCZGGFSA-N -1 3 355.398 3.626 20 30 FHEDHM O=C(C=Cc1cnc(C2CCC2)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403053 609274682 /nfs/dbraw/zinc/27/46/82/609274682.db2.gz IVGYJSNVLSKSJE-ALCCZGGFSA-N -1 3 355.398 3.626 20 30 FHEDHM O=C(C=Cc1cnc(C2CCC2)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403054 609275004 /nfs/dbraw/zinc/27/50/04/609275004.db2.gz IVGYJSNVLSKSJE-FNORWQNLSA-N -1 3 355.398 3.626 20 30 FHEDHM O=C(C=Cc1cnc(C2CCC2)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403054 609275006 /nfs/dbraw/zinc/27/50/06/609275006.db2.gz IVGYJSNVLSKSJE-FNORWQNLSA-N -1 3 355.398 3.626 20 30 FHEDHM COc1cc(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1F ZINC000826177338 609469364 /nfs/dbraw/zinc/46/93/64/609469364.db2.gz DSEZRZPCXBJOSS-UHFFFAOYSA-N -1 3 360.780 3.504 20 30 FHEDHM COc1cc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1F ZINC000826177338 609469366 /nfs/dbraw/zinc/46/93/66/609469366.db2.gz DSEZRZPCXBJOSS-UHFFFAOYSA-N -1 3 360.780 3.504 20 30 FHEDHM Cc1nn(C(C)(C)C)c(C)c1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826332742 609471867 /nfs/dbraw/zinc/47/18/67/609471867.db2.gz GAENCUIWGZYWLJ-UHFFFAOYSA-N -1 3 372.864 3.534 20 30 FHEDHM Cc1nn(C(C)(C)C)c(C)c1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826332742 609471869 /nfs/dbraw/zinc/47/18/69/609471869.db2.gz GAENCUIWGZYWLJ-UHFFFAOYSA-N -1 3 372.864 3.534 20 30 FHEDHM N#CCc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000826382636 609480356 /nfs/dbraw/zinc/48/03/56/609480356.db2.gz OEMQNNXYJYHBFW-UHFFFAOYSA-N -1 3 358.327 3.564 20 30 FHEDHM N#CCc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000826382636 609480358 /nfs/dbraw/zinc/48/03/58/609480358.db2.gz OEMQNNXYJYHBFW-UHFFFAOYSA-N -1 3 358.327 3.564 20 30 FHEDHM COc1cc(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)c(OC)cc1[O-] ZINC000255005040 928864827 /nfs/dbraw/zinc/86/48/27/928864827.db2.gz PTEBKVIHKVIXMA-HJWRWDBZSA-N -1 3 350.374 3.696 20 30 FHEDHM C=CCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1ccc(F)cc1 ZINC000150886995 937332889 /nfs/dbraw/zinc/33/28/89/937332889.db2.gz UFMWPKBBFNAFCE-GFCCVEGCSA-N -1 3 371.441 3.928 20 30 FHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(-n3cncn3)cc2)s1 ZINC000430589940 931972935 /nfs/dbraw/zinc/97/29/35/931972935.db2.gz JMGGAPDTUPHFAX-AWEZNQCLSA-N -1 3 351.435 3.511 20 30 FHEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000581653331 932393810 /nfs/dbraw/zinc/39/38/10/932393810.db2.gz BFSHULYQXRTZIN-UHFFFAOYSA-N -1 3 373.390 3.806 20 30 FHEDHM CC(C)(C)OC(=O)c1c([N-]C(=O)C(C)(C)C#N)onc1-c1ccccc1 ZINC001143395648 932565946 /nfs/dbraw/zinc/56/59/46/932565946.db2.gz KSNCARNAHANJRU-UHFFFAOYSA-N -1 3 355.394 3.785 20 30 FHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(C#N)c3C)c2)n1 ZINC000510496623 933071140 /nfs/dbraw/zinc/07/11/40/933071140.db2.gz PLESCCYIRMMSTA-UHFFFAOYSA-N -1 3 358.401 3.844 20 30 FHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(Br)c1 ZINC000135377451 933357380 /nfs/dbraw/zinc/35/73/80/933357380.db2.gz QDBVRWLEIIMFPO-UHFFFAOYSA-N -1 3 369.215 3.569 20 30 FHEDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1OCCCC#N ZINC000277061905 934474902 /nfs/dbraw/zinc/47/49/02/934474902.db2.gz UKQDAHDDZWJAKS-FQEVSTJZSA-N -1 3 368.433 3.602 20 30 FHEDHM N#C[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000187745311 934804972 /nfs/dbraw/zinc/80/49/72/934804972.db2.gz FXCSGGSIVYWUNA-OAHLLOKOSA-N -1 3 360.401 3.597 20 30 FHEDHM N#C[C@H]([N-]C(=O)c1c(F)ccc(F)c1F)c1ccc(OC(F)(F)F)cc1 ZINC000548520423 934806198 /nfs/dbraw/zinc/80/61/98/934806198.db2.gz PJYKIVOYRODWLK-LBPRGKRZSA-N -1 3 374.240 3.997 20 30 FHEDHM Cc1ccc(CCCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000785119230 935349589 /nfs/dbraw/zinc/34/95/89/935349589.db2.gz VHVIOWHGSDNIHQ-UHFFFAOYSA-N -1 3 352.434 3.693 20 30 FHEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000507307607 945121103 /nfs/dbraw/zinc/12/11/03/945121103.db2.gz YGZNPVMFGCSBOE-INIZCTEOSA-N -1 3 372.343 3.611 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C2CCC2)cs1 ZINC000277673351 935805819 /nfs/dbraw/zinc/80/58/19/935805819.db2.gz KUECJZKEMGTPBP-UHFFFAOYSA-N -1 3 356.451 3.571 20 30 FHEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000127687982 938280879 /nfs/dbraw/zinc/28/08/79/938280879.db2.gz XZAZCSLIYPZWFC-ZYGDNQFUSA-N -1 3 356.285 3.628 20 30 FHEDHM N#CC(=C([O-])c1ccc(O[C@@H]2CCOC2)cc1)c1nc(C2CC2)cs1 ZINC000647379433 939084744 /nfs/dbraw/zinc/08/47/44/939084744.db2.gz JWBHLGBRCGHFKM-HZPDHXFCSA-N -1 3 354.431 3.678 20 30 FHEDHM Cc1ccc(-c2nn(CCC#N)cc2C([O-])=C(C#N)c2ccccn2)cc1C ZINC000146861960 941795366 /nfs/dbraw/zinc/79/53/66/941795366.db2.gz OVAYSFMVEZFXJY-GOSISDBHSA-N -1 3 369.428 3.966 20 30 FHEDHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000119659893 941896137 /nfs/dbraw/zinc/89/61/37/941896137.db2.gz XQNYQRSSCGGHMU-UHFFFAOYSA-N -1 3 362.357 3.814 20 30 FHEDHM C=C(C)CN(CC)C(=O)CSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419607762 942321704 /nfs/dbraw/zinc/32/17/04/942321704.db2.gz UVHYAUZMRTUQHC-UHFFFAOYSA-N -1 3 357.479 3.507 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC(F)F)c1ccccc1 ZINC000421696506 942752150 /nfs/dbraw/zinc/75/21/50/942752150.db2.gz AXBLABPAOFYYEX-KRWDZBQOSA-N -1 3 373.403 3.721 20 30 FHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c(C)c1C ZINC000435138707 943191605 /nfs/dbraw/zinc/19/16/05/943191605.db2.gz LCNWNQIBWJSQCC-UHFFFAOYSA-N -1 3 374.462 3.772 20 30 FHEDHM C=CCOc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1OC ZINC000417615767 943765511 /nfs/dbraw/zinc/76/55/11/943765511.db2.gz GXGQUGZJTLRHEC-ZWKOTPCHSA-N -1 3 353.418 3.663 20 30 FHEDHM CC(C)c1ccc([C@H](C)CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735923058 944713220 /nfs/dbraw/zinc/71/32/20/944713220.db2.gz JNLAVOPLUOQYBR-CQSZACIVSA-N -1 3 374.448 3.994 20 30 FHEDHM CC(C)c1ccc([C@H](C)CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735923058 944713227 /nfs/dbraw/zinc/71/32/27/944713227.db2.gz JNLAVOPLUOQYBR-CQSZACIVSA-N -1 3 374.448 3.994 20 30 FHEDHM C=CCCCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436911165 944778717 /nfs/dbraw/zinc/77/87/17/944778717.db2.gz FALPBJMLAWLNKY-HXUWFJFHSA-N -1 3 366.461 3.726 20 30 FHEDHM Cc1nc(-c2ccc(CC/N=C/c3c([O-])c(C)ncc3CO)cc2)cs1 ZINC000015149814 944828463 /nfs/dbraw/zinc/82/84/63/944828463.db2.gz RYNXTPJAYQZQFO-UFFVCSGVSA-N -1 3 367.474 3.681 20 30 FHEDHM N#Cc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000426820738 944842755 /nfs/dbraw/zinc/84/27/55/944842755.db2.gz MWWQQAQRSKQBHK-MRXNPFEDSA-N -1 3 359.223 3.626 20 30 FHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C(C)C)c([N+](=O)[O-])c3)nc1-2 ZINC000439664177 944864083 /nfs/dbraw/zinc/86/40/83/944864083.db2.gz UXAIJAPFFKIHRX-CQSZACIVSA-N -1 3 363.377 3.788 20 30 FHEDHM CCOc1cc(CN2CCC(C#N)(c3ccccn3)CC2)cc(Cl)c1[O-] ZINC000518118055 945043271 /nfs/dbraw/zinc/04/32/71/945043271.db2.gz OTQPVLYCHRAFIM-UHFFFAOYSA-N -1 3 371.868 3.897 20 30 FHEDHM Cc1ccc(Cc2nnc([N-]C(=O)c3cc(C#N)ccc3F)s2)cc1 ZINC001126075386 946047637 /nfs/dbraw/zinc/04/76/37/946047637.db2.gz IHISZIKENGYVKO-UHFFFAOYSA-N -1 3 352.394 3.700 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1OC(F)F ZINC000822923205 946221097 /nfs/dbraw/zinc/22/10/97/946221097.db2.gz OETMIIKHWPXNRA-BAQGIRSFSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1OC(F)F ZINC000822923205 946221108 /nfs/dbraw/zinc/22/11/08/946221108.db2.gz OETMIIKHWPXNRA-BAQGIRSFSA-N -1 3 360.295 3.503 20 30 FHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cc1F ZINC000520299314 946385252 /nfs/dbraw/zinc/38/52/52/946385252.db2.gz JKLMAOPFYCPVAR-UHFFFAOYSA-N -1 3 359.209 3.946 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H](C)c2cccc(F)c2)no1 ZINC000897074079 946553313 /nfs/dbraw/zinc/55/33/13/946553313.db2.gz JOMUKBCUBIEUPJ-NSHDSACASA-N -1 3 366.396 3.735 20 30 FHEDHM CC(C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000824324535 946658680 /nfs/dbraw/zinc/65/86/80/946658680.db2.gz OTGKVMTVAAMJAF-YHYXMXQVSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000824324535 946658686 /nfs/dbraw/zinc/65/86/86/946658686.db2.gz OTGKVMTVAAMJAF-YHYXMXQVSA-N -1 3 352.369 3.689 20 30 FHEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ncc(Br)cc1[O-] ZINC000894963976 946705850 /nfs/dbraw/zinc/70/58/50/946705850.db2.gz IGJATCVQZLUDIJ-HNNXBMFYSA-N -1 3 358.239 3.589 20 30 FHEDHM N#CCCCn1cc(C(=O)NCc2ccc([O-])c(F)c2)c2ccccc21 ZINC000444335510 946803381 /nfs/dbraw/zinc/80/33/81/946803381.db2.gz AIFDMGWLIYMURS-UHFFFAOYSA-N -1 3 351.381 3.720 20 30 FHEDHM C[C@@H](Nc1ncccc1C#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824669996 946891605 /nfs/dbraw/zinc/89/16/05/946891605.db2.gz JXRNLNPGVJDQNG-CQSZACIVSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@@H](Nc1ncccc1C#N)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824669996 946891614 /nfs/dbraw/zinc/89/16/14/946891614.db2.gz JXRNLNPGVJDQNG-CQSZACIVSA-N -1 3 367.416 3.973 20 30 FHEDHM C=C[C@H](C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573301357 947136851 /nfs/dbraw/zinc/13/68/51/947136851.db2.gz ZDKGTXCEBQTPJE-INIZCTEOSA-N -1 3 363.421 3.562 20 30 FHEDHM C=C[C@H](C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573301357 947136858 /nfs/dbraw/zinc/13/68/58/947136858.db2.gz ZDKGTXCEBQTPJE-INIZCTEOSA-N -1 3 363.421 3.562 20 30 FHEDHM C=CC(C)(C)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573305535 947155854 /nfs/dbraw/zinc/15/58/54/947155854.db2.gz CZQJBSIVETVNCT-UHFFFAOYSA-N -1 3 364.409 3.595 20 30 FHEDHM C=CC(C)(C)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573305535 947155859 /nfs/dbraw/zinc/15/58/59/947155859.db2.gz CZQJBSIVETVNCT-UHFFFAOYSA-N -1 3 364.409 3.595 20 30 FHEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001573329366 947418194 /nfs/dbraw/zinc/41/81/94/947418194.db2.gz IMQTZCHKOYQUEM-UKRRQHHQSA-N -1 3 370.457 3.522 20 30 FHEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001573329366 947418205 /nfs/dbraw/zinc/41/82/05/947418205.db2.gz IMQTZCHKOYQUEM-UKRRQHHQSA-N -1 3 370.457 3.522 20 30 FHEDHM C=CCC1(CNc2ncc(Br)cc2-c2nnn[n-]2)CCCC1 ZINC001573330334 947432634 /nfs/dbraw/zinc/43/26/34/947432634.db2.gz WBPUAQNLVFAYPJ-UHFFFAOYSA-N -1 3 363.263 3.573 20 30 FHEDHM C=CCC1(CNc2ncc(Br)cc2-c2nn[n-]n2)CCCC1 ZINC001573330334 947432636 /nfs/dbraw/zinc/43/26/36/947432636.db2.gz WBPUAQNLVFAYPJ-UHFFFAOYSA-N -1 3 363.263 3.573 20 30 FHEDHM COc1c(C)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1C ZINC000826167024 947524801 /nfs/dbraw/zinc/52/48/01/947524801.db2.gz MFZZFYGLUYCPTO-DAXSKMNVSA-N -1 3 352.369 3.527 20 30 FHEDHM COc1c(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1C ZINC000826167024 947524814 /nfs/dbraw/zinc/52/48/14/947524814.db2.gz MFZZFYGLUYCPTO-DAXSKMNVSA-N -1 3 352.369 3.527 20 30 FHEDHM C=CCCc1ccccc1NC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001573341067 947525368 /nfs/dbraw/zinc/52/53/68/947525368.db2.gz GHXCRIZCVVUVKR-UHFFFAOYSA-N -1 3 361.449 3.783 20 30 FHEDHM C=CCCc1ccccc1NC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001573341067 947525384 /nfs/dbraw/zinc/52/53/84/947525384.db2.gz GHXCRIZCVVUVKR-UHFFFAOYSA-N -1 3 361.449 3.783 20 30 FHEDHM C=CCn1c2ccccc2nc1SCc1cccc(-c2nnn[n-]2)c1F ZINC001573348167 947581986 /nfs/dbraw/zinc/58/19/86/947581986.db2.gz NINCRXQKTGWWDO-UHFFFAOYSA-N -1 3 366.425 3.834 20 30 FHEDHM C=CCn1c2ccccc2nc1SCc1cccc(-c2nn[n-]n2)c1F ZINC001573348167 947581994 /nfs/dbraw/zinc/58/19/94/947581994.db2.gz NINCRXQKTGWWDO-UHFFFAOYSA-N -1 3 366.425 3.834 20 30 FHEDHM COc1ccc(Cl)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826208235 947608467 /nfs/dbraw/zinc/60/84/67/947608467.db2.gz AGQBFWMWDXQXMH-UTCJRWHESA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(Cl)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826208235 947608477 /nfs/dbraw/zinc/60/84/77/947608477.db2.gz AGQBFWMWDXQXMH-UTCJRWHESA-N -1 3 358.760 3.564 20 30 FHEDHM Cn1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(C2CCCCC2)n1 ZINC000826359934 948117145 /nfs/dbraw/zinc/11/71/45/948117145.db2.gz SXYZMMOCPXAINO-ZHACJKMWSA-N -1 3 362.437 3.544 20 30 FHEDHM Cn1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(C2CCCCC2)n1 ZINC000826359934 948117151 /nfs/dbraw/zinc/11/71/51/948117151.db2.gz SXYZMMOCPXAINO-ZHACJKMWSA-N -1 3 362.437 3.544 20 30 FHEDHM N#Cc1c(Cl)cccc1SCCOc1ccccc1-c1nnn[n-]1 ZINC000826383025 948180640 /nfs/dbraw/zinc/18/06/40/948180640.db2.gz GXKIPBWVOWGPQU-UHFFFAOYSA-N -1 3 357.826 3.563 20 30 FHEDHM N#Cc1c(Cl)cccc1SCCOc1ccccc1-c1nn[n-]n1 ZINC000826383025 948180651 /nfs/dbraw/zinc/18/06/51/948180651.db2.gz GXKIPBWVOWGPQU-UHFFFAOYSA-N -1 3 357.826 3.563 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401123 948220082 /nfs/dbraw/zinc/22/00/82/948220082.db2.gz QEMLMCAVVLMDPL-YFHOEESVSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401123 948220090 /nfs/dbraw/zinc/22/00/90/948220090.db2.gz QEMLMCAVVLMDPL-YFHOEESVSA-N -1 3 371.375 3.964 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c(C)c(F)ccc1Cl ZINC000279222343 948633307 /nfs/dbraw/zinc/63/33/07/948633307.db2.gz NXSVYXBFSSQFND-UHFFFAOYSA-N -1 3 361.804 3.948 20 30 FHEDHM COc1cc(C)cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1[O-] ZINC000436603579 567980059 /nfs/dbraw/zinc/98/00/59/567980059.db2.gz LYOIMCRKDLKROE-UHFFFAOYSA-N -1 3 365.414 3.957 20 30 FHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c(C)c1 ZINC000603591571 568123718 /nfs/dbraw/zinc/12/37/18/568123718.db2.gz CHHUSWKVWXQPPJ-UHFFFAOYSA-N -1 3 358.463 3.914 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1Cl ZINC000481864792 568138887 /nfs/dbraw/zinc/13/88/87/568138887.db2.gz JHPBSLHYVIJDJM-UHFFFAOYSA-N -1 3 369.229 3.601 20 30 FHEDHM N#CC(=C([O-])c1cnn2ccccc12)c1nc2ccccc2n1C(F)F ZINC000604929683 568397923 /nfs/dbraw/zinc/39/79/23/568397923.db2.gz NDKYMKJFLHQJGG-NSHDSACASA-N -1 3 351.316 3.569 20 30 FHEDHM Cc1nc(-c2ccc(NC(=O)N3CCc4ccc(C#N)cc43)cc2)cc(=O)[n-]1 ZINC000569629325 568411089 /nfs/dbraw/zinc/41/10/89/568411089.db2.gz IYOVMBVJBGKRPC-UHFFFAOYSA-N -1 3 371.400 3.624 20 30 FHEDHM CCCc1sc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1CC ZINC000736500831 598926101 /nfs/dbraw/zinc/92/61/01/598926101.db2.gz VVZSAFNXWWXOPL-UHFFFAOYSA-N -1 3 366.450 3.567 20 30 FHEDHM CCCc1sc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1CC ZINC000736500831 598926102 /nfs/dbraw/zinc/92/61/02/598926102.db2.gz VVZSAFNXWWXOPL-UHFFFAOYSA-N -1 3 366.450 3.567 20 30 FHEDHM N#Cc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c(C(F)(F)F)c1 ZINC000822832439 599070900 /nfs/dbraw/zinc/07/09/00/599070900.db2.gz ASXFBLWKMGKEDI-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM N#Cc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c(C(F)(F)F)c1 ZINC000822832439 599070903 /nfs/dbraw/zinc/07/09/03/599070903.db2.gz ASXFBLWKMGKEDI-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000735418878 599071674 /nfs/dbraw/zinc/07/16/74/599071674.db2.gz KZOXFKPGYDYMMB-MOPGFXCFSA-N -1 3 365.481 3.598 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000735418878 599071675 /nfs/dbraw/zinc/07/16/75/599071675.db2.gz KZOXFKPGYDYMMB-MOPGFXCFSA-N -1 3 365.481 3.598 20 30 FHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000823498418 599114507 /nfs/dbraw/zinc/11/45/07/599114507.db2.gz OZJKBFUUNWASIS-RGWZVXDZSA-N -1 3 373.372 3.544 20 30 FHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000823498418 599114510 /nfs/dbraw/zinc/11/45/10/599114510.db2.gz OZJKBFUUNWASIS-RGWZVXDZSA-N -1 3 373.372 3.544 20 30 FHEDHM COc1ccc(C=CC(=O)c2cc(C)c(F)c(C)c2)cc1-c1nnn[n-]1 ZINC000737081556 599157107 /nfs/dbraw/zinc/15/71/07/599157107.db2.gz OZSWHRAYLZFGLL-GQCTYLIASA-N -1 3 352.369 3.527 20 30 FHEDHM COc1ccc(C=CC(=O)c2cc(C)c(F)c(C)c2)cc1-c1nn[n-]n1 ZINC000737081556 599157110 /nfs/dbraw/zinc/15/71/10/599157110.db2.gz OZSWHRAYLZFGLL-GQCTYLIASA-N -1 3 352.369 3.527 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(C)cc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737330334 599158578 /nfs/dbraw/zinc/15/85/78/599158578.db2.gz QESDSCXQJGUJCH-GHXNOFRVSA-N -1 3 370.416 3.565 20 30 FHEDHM CCC[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736421613 599191037 /nfs/dbraw/zinc/19/10/37/599191037.db2.gz DFCNQGDTYXRNGQ-CQSZACIVSA-N -1 3 352.442 3.673 20 30 FHEDHM CCC[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736421613 599191039 /nfs/dbraw/zinc/19/10/39/599191039.db2.gz DFCNQGDTYXRNGQ-CQSZACIVSA-N -1 3 352.442 3.673 20 30 FHEDHM CCC[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736423650 599191360 /nfs/dbraw/zinc/19/13/60/599191360.db2.gz WWGJMSVPLZBJHB-AWEZNQCLSA-N -1 3 352.442 3.673 20 30 FHEDHM CCC[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736423650 599191364 /nfs/dbraw/zinc/19/13/64/599191364.db2.gz WWGJMSVPLZBJHB-AWEZNQCLSA-N -1 3 352.442 3.673 20 30 FHEDHM Cc1ccc(F)c(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737344757 599193646 /nfs/dbraw/zinc/19/36/46/599193646.db2.gz KDXRBSFCWXZZAY-UHFFFAOYSA-N -1 3 364.306 3.779 20 30 FHEDHM Cc1ccc(F)c(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737344757 599193648 /nfs/dbraw/zinc/19/36/48/599193648.db2.gz KDXRBSFCWXZZAY-UHFFFAOYSA-N -1 3 364.306 3.779 20 30 FHEDHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735922306 599194049 /nfs/dbraw/zinc/19/40/49/599194049.db2.gz FPPJIQPVRVCUNW-OALUTQOASA-N -1 3 372.432 3.604 20 30 FHEDHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735922306 599194051 /nfs/dbraw/zinc/19/40/51/599194051.db2.gz FPPJIQPVRVCUNW-OALUTQOASA-N -1 3 372.432 3.604 20 30 FHEDHM CC(C)[C@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735707553 599199057 /nfs/dbraw/zinc/19/90/57/599199057.db2.gz JABCHKMSPZWBET-KRWDZBQOSA-N -1 3 360.421 3.507 20 30 FHEDHM CC(C)[C@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735707553 599199059 /nfs/dbraw/zinc/19/90/59/599199059.db2.gz JABCHKMSPZWBET-KRWDZBQOSA-N -1 3 360.421 3.507 20 30 FHEDHM C=CC[C@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000735409131 599203093 /nfs/dbraw/zinc/20/30/93/599203093.db2.gz BVIYBEJZTFNSID-ZDUSSCGKSA-N -1 3 365.462 3.712 20 30 FHEDHM C=CC[C@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000735409131 599203096 /nfs/dbraw/zinc/20/30/96/599203096.db2.gz BVIYBEJZTFNSID-ZDUSSCGKSA-N -1 3 365.462 3.712 20 30 FHEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)Cc3ccc(C#N)cc3)c2c1 ZINC000737248460 599270797 /nfs/dbraw/zinc/27/07/97/599270797.db2.gz FOWMESIEEWVLQX-UHFFFAOYSA-N -1 3 369.432 3.540 20 30 FHEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)Cc3ccc(C#N)cc3)c2c1 ZINC000737248460 599270800 /nfs/dbraw/zinc/27/08/00/599270800.db2.gz FOWMESIEEWVLQX-UHFFFAOYSA-N -1 3 369.432 3.540 20 30 FHEDHM C=CCCC(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000735407968 598326661 /nfs/dbraw/zinc/32/66/61/598326661.db2.gz CEJOKCMUPSZPFH-UHFFFAOYSA-N -1 3 365.412 3.814 20 30 FHEDHM C=CCCC(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000735407968 598326663 /nfs/dbraw/zinc/32/66/63/598326663.db2.gz CEJOKCMUPSZPFH-UHFFFAOYSA-N -1 3 365.412 3.814 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc3ccccc3c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202369 598377334 /nfs/dbraw/zinc/37/73/34/598377334.db2.gz LTJFOUQHQWTHFW-LUAWRHEFSA-N -1 3 369.428 3.972 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc3ccccc3c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202369 598377335 /nfs/dbraw/zinc/37/73/35/598377335.db2.gz LTJFOUQHQWTHFW-LUAWRHEFSA-N -1 3 369.428 3.972 20 30 FHEDHM C=CCOc1ccccc1C(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000735436487 598516464 /nfs/dbraw/zinc/51/64/64/598516464.db2.gz LCSJUDHAXBFSTE-UHFFFAOYSA-N -1 3 369.450 3.616 20 30 FHEDHM C=CCOc1ccccc1C(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000735436487 598516466 /nfs/dbraw/zinc/51/64/66/598516466.db2.gz LCSJUDHAXBFSTE-UHFFFAOYSA-N -1 3 369.450 3.616 20 30 FHEDHM Cc1c(C(=O)C=Cc2cc3ccccc3o2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201971 598640753 /nfs/dbraw/zinc/64/07/53/598640753.db2.gz IDZVWZFZVRIVBE-HJWRWDBZSA-N -1 3 359.389 3.565 20 30 FHEDHM Cc1c(C(=O)C=Cc2cc3ccccc3o2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201971 598640755 /nfs/dbraw/zinc/64/07/55/598640755.db2.gz IDZVWZFZVRIVBE-HJWRWDBZSA-N -1 3 359.389 3.565 20 30 FHEDHM C=CCCOC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000735417094 598784263 /nfs/dbraw/zinc/78/42/63/598784263.db2.gz YQGWUFIVVOITHN-UHFFFAOYSA-N -1 3 366.446 3.892 20 30 FHEDHM C=CCCOC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000735417094 598784264 /nfs/dbraw/zinc/78/42/64/598784264.db2.gz YQGWUFIVVOITHN-UHFFFAOYSA-N -1 3 366.446 3.892 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000822930366 607367989 /nfs/dbraw/zinc/36/79/89/607367989.db2.gz ZIAKVNSUGKPKDL-FNORWQNLSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000822930366 607367990 /nfs/dbraw/zinc/36/79/90/607367990.db2.gz ZIAKVNSUGKPKDL-FNORWQNLSA-N -1 3 362.286 3.921 20 30 FHEDHM C[C@H](SCCOc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191052 599325882 /nfs/dbraw/zinc/32/58/82/599325882.db2.gz VNGHSSQJGBWWPH-ZDUSSCGKSA-N -1 3 351.435 3.612 20 30 FHEDHM C[C@H](SCCOc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191052 599325885 /nfs/dbraw/zinc/32/58/85/599325885.db2.gz VNGHSSQJGBWWPH-ZDUSSCGKSA-N -1 3 351.435 3.612 20 30 FHEDHM C=C(Cl)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735401950 599500769 /nfs/dbraw/zinc/50/07/69/599500769.db2.gz AWXCRJAWGYJRNY-UHFFFAOYSA-N -1 3 370.800 3.533 20 30 FHEDHM C=C(Cl)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735401950 599500772 /nfs/dbraw/zinc/50/07/72/599500772.db2.gz AWXCRJAWGYJRNY-UHFFFAOYSA-N -1 3 370.800 3.533 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)C1CCCCC1 ZINC000819743761 599675201 /nfs/dbraw/zinc/67/52/01/599675201.db2.gz PRJHBRDXHFPFRM-OAHLLOKOSA-N -1 3 368.485 3.533 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)C1CCCCC1 ZINC000819743761 599675202 /nfs/dbraw/zinc/67/52/02/599675202.db2.gz PRJHBRDXHFPFRM-OAHLLOKOSA-N -1 3 368.485 3.533 20 30 FHEDHM CCOc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OCC ZINC000737194367 600590050 /nfs/dbraw/zinc/59/00/50/600590050.db2.gz CRAFSSJIICHQBB-VLIAUNLRSA-N -1 3 368.433 3.832 20 30 FHEDHM N#Cc1ccc([C@H](N[C@H]2CCc3c2cccc3Br)C(=O)[O-])cc1 ZINC000739106318 600598138 /nfs/dbraw/zinc/59/81/38/600598138.db2.gz LFDLELJLIUZUTI-IRXDYDNUSA-N -1 3 371.234 3.724 20 30 FHEDHM Cc1cc(Br)ccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738313001 600598593 /nfs/dbraw/zinc/59/85/93/600598593.db2.gz CZIVSWIOBVLPPH-INIZCTEOSA-N -1 3 359.223 3.545 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(-c2ccncc2)cc1 ZINC000822922609 607460589 /nfs/dbraw/zinc/46/05/89/607460589.db2.gz ICEOHAGRAWZDFA-FPLPWBNLSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(-c2ccncc2)cc1 ZINC000822922609 607460592 /nfs/dbraw/zinc/46/05/92/607460592.db2.gz ICEOHAGRAWZDFA-FPLPWBNLSA-N -1 3 371.375 3.964 20 30 FHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CCO2 ZINC000822195277 607462197 /nfs/dbraw/zinc/46/21/97/607462197.db2.gz MSMJLUBDZGVQQO-NTEUORMPSA-N -1 3 364.380 3.671 20 30 FHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CCO2 ZINC000822195277 607462200 /nfs/dbraw/zinc/46/22/00/607462200.db2.gz MSMJLUBDZGVQQO-NTEUORMPSA-N -1 3 364.380 3.671 20 30 FHEDHM CCOc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OCC ZINC000830063486 601297607 /nfs/dbraw/zinc/29/76/07/601297607.db2.gz CJTPJIDXOUKSMG-JLTOFOAXSA-N -1 3 368.433 3.832 20 30 FHEDHM CCCOc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000829528223 601301078 /nfs/dbraw/zinc/30/10/78/601301078.db2.gz SCLMIKAWPPGZHS-VBKZILBWSA-N -1 3 368.433 3.832 20 30 FHEDHM N#Cc1cccc([C@@H](NCc2ccc(OC3CCCC3)cc2)C(=O)[O-])c1 ZINC000833076166 601304621 /nfs/dbraw/zinc/30/46/21/601304621.db2.gz REYCCZSTRILSMX-HXUWFJFHSA-N -1 3 350.418 3.795 20 30 FHEDHM C=C(C)CN1CCC(NC(=O)c2cc3ccccc3cc2NC(=O)[O-])CC1 ZINC000738485308 602676491 /nfs/dbraw/zinc/67/64/91/602676491.db2.gz HVUBOGFMSORAPW-UHFFFAOYSA-N -1 3 367.449 3.700 20 30 FHEDHM O=C(C=Cc1ccc(-c2ccncc2)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000826400079 607682040 /nfs/dbraw/zinc/68/20/40/607682040.db2.gz OFMPUPODONPAFR-VOTSOKGWSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1ccc(-c2ccncc2)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000826400079 607682042 /nfs/dbraw/zinc/68/20/42/607682042.db2.gz OFMPUPODONPAFR-VOTSOKGWSA-N -1 3 371.375 3.964 20 30 FHEDHM N#Cc1cccc(OC2CCN(Cc3cccc(NC(=O)[O-])c3)CC2)c1 ZINC000833977034 605595343 /nfs/dbraw/zinc/59/53/43/605595343.db2.gz ULYPDQKMXOSHNZ-UHFFFAOYSA-N -1 3 351.406 3.692 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Br)cc1 ZINC000822923034 606302676 /nfs/dbraw/zinc/30/26/76/606302676.db2.gz NCLQEYYFIJDHEZ-AATRIKPKSA-N -1 3 361.224 3.587 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Br)cc1 ZINC000822923034 606302679 /nfs/dbraw/zinc/30/26/79/606302679.db2.gz NCLQEYYFIJDHEZ-AATRIKPKSA-N -1 3 361.224 3.587 20 30 FHEDHM CCOc1cccc2cc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)oc21 ZINC000821431321 606303229 /nfs/dbraw/zinc/30/32/29/606303229.db2.gz POLBGLFVKTZDDQ-VOTSOKGWSA-N -1 3 366.402 3.969 20 30 FHEDHM CCOc1cccc2cc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)oc21 ZINC000821431321 606303230 /nfs/dbraw/zinc/30/32/30/606303230.db2.gz POLBGLFVKTZDDQ-VOTSOKGWSA-N -1 3 366.402 3.969 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000822922191 606306493 /nfs/dbraw/zinc/30/64/93/606306493.db2.gz CYCYIYIFHXAACA-AATRIKPKSA-N -1 3 350.325 3.843 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000822922191 606306495 /nfs/dbraw/zinc/30/64/95/606306495.db2.gz CYCYIYIFHXAACA-AATRIKPKSA-N -1 3 350.325 3.843 20 30 FHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821421838 606306949 /nfs/dbraw/zinc/30/69/49/606306949.db2.gz GKDLVWCRRVYVJN-SNAWJCMRSA-N -1 3 360.826 3.876 20 30 FHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821421838 606306950 /nfs/dbraw/zinc/30/69/50/606306950.db2.gz GKDLVWCRRVYVJN-SNAWJCMRSA-N -1 3 360.826 3.876 20 30 FHEDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc2ccccc2c1 ZINC000819866124 606603435 /nfs/dbraw/zinc/60/34/35/606603435.db2.gz JKCJTPCJXDUWEJ-ZDUSSCGKSA-N -1 3 368.400 3.634 20 30 FHEDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc2ccccc2c1 ZINC000819866124 606603436 /nfs/dbraw/zinc/60/34/36/606603436.db2.gz JKCJTPCJXDUWEJ-ZDUSSCGKSA-N -1 3 368.400 3.634 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(CC(C)C)CCC1 ZINC000819743919 606847250 /nfs/dbraw/zinc/84/72/50/606847250.db2.gz SSMFURPEVIDJHL-UHFFFAOYSA-N -1 3 353.470 3.598 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(CC(C)C)CCC1 ZINC000819743919 606847253 /nfs/dbraw/zinc/84/72/53/606847253.db2.gz SSMFURPEVIDJHL-UHFFFAOYSA-N -1 3 353.470 3.598 20 30 FHEDHM N#Cc1cc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1F ZINC000822818904 606931534 /nfs/dbraw/zinc/93/15/34/606931534.db2.gz IOIGJIXEAUJQOQ-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM N#Cc1cc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1F ZINC000822818904 606931536 /nfs/dbraw/zinc/93/15/36/606931536.db2.gz IOIGJIXEAUJQOQ-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1F ZINC000822928020 607122749 /nfs/dbraw/zinc/12/27/49/607122749.db2.gz CREDDOICQLFXQX-QPJJXVBHSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1F ZINC000822928020 607122751 /nfs/dbraw/zinc/12/27/51/607122751.db2.gz CREDDOICQLFXQX-QPJJXVBHSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000822928723 607171548 /nfs/dbraw/zinc/17/15/48/607171548.db2.gz LMRZVNWFVUHJHA-MDZDMXLPSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000822928723 607171549 /nfs/dbraw/zinc/17/15/49/607171549.db2.gz LMRZVNWFVUHJHA-MDZDMXLPSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(-c2ccncc2)c1 ZINC000826401867 607884896 /nfs/dbraw/zinc/88/48/96/607884896.db2.gz INVZATFIXCZMES-HJWRWDBZSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(-c2ccncc2)c1 ZINC000826401867 607884897 /nfs/dbraw/zinc/88/48/97/607884897.db2.gz INVZATFIXCZMES-HJWRWDBZSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C1c2cccc(Cl)c2SCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476677 607885253 /nfs/dbraw/zinc/88/52/53/607885253.db2.gz MMGTYEORLQHTOY-DHZHZOJOSA-N -1 3 354.822 3.892 20 30 FHEDHM O=C1c2cccc(Cl)c2SCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476677 607885254 /nfs/dbraw/zinc/88/52/54/607885254.db2.gz MMGTYEORLQHTOY-DHZHZOJOSA-N -1 3 354.822 3.892 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826395678 607916018 /nfs/dbraw/zinc/91/60/18/607916018.db2.gz ORJHHBSLKSFIRB-PLNGDYQASA-N -1 3 360.204 3.652 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826395678 607916019 /nfs/dbraw/zinc/91/60/19/607916019.db2.gz ORJHHBSLKSFIRB-PLNGDYQASA-N -1 3 360.204 3.652 20 30 FHEDHM C=C[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccccc1 ZINC000823883625 607999775 /nfs/dbraw/zinc/99/97/75/607999775.db2.gz VWDLJMQJDRUSDD-GFCCVEGCSA-N -1 3 365.462 3.715 20 30 FHEDHM C=C[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccccc1 ZINC000823883625 607999776 /nfs/dbraw/zinc/99/97/76/607999776.db2.gz VWDLJMQJDRUSDD-GFCCVEGCSA-N -1 3 365.462 3.715 20 30 FHEDHM C[C@@H](Nc1ccc(C#N)cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000824655469 608050517 /nfs/dbraw/zinc/05/05/17/608050517.db2.gz CULVIYDHGGXQMN-SNVBAGLBSA-N -1 3 369.226 3.674 20 30 FHEDHM C[C@@H](Nc1ccc(C#N)cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000824655469 608050518 /nfs/dbraw/zinc/05/05/18/608050518.db2.gz CULVIYDHGGXQMN-SNVBAGLBSA-N -1 3 369.226 3.674 20 30 FHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cc2c(s1)CCCC2 ZINC000823954066 608539732 /nfs/dbraw/zinc/53/97/32/608539732.db2.gz XVKASVSIQGVMNL-UHFFFAOYSA-N -1 3 373.873 3.692 20 30 FHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cc2c(s1)CCCC2 ZINC000823954066 608539734 /nfs/dbraw/zinc/53/97/34/608539734.db2.gz XVKASVSIQGVMNL-UHFFFAOYSA-N -1 3 373.873 3.692 20 30 FHEDHM C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824530417 609152231 /nfs/dbraw/zinc/15/22/31/609152231.db2.gz KYYADRTWDCZUBO-SCLBCKFNSA-N -1 3 350.401 3.701 20 30 FHEDHM O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399874 609270467 /nfs/dbraw/zinc/27/04/67/609270467.db2.gz ITFTZVRDCJVCSW-FPYGCLRLSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399874 609270468 /nfs/dbraw/zinc/27/04/68/609270468.db2.gz ITFTZVRDCJVCSW-FPYGCLRLSA-N -1 3 362.286 3.921 20 30 FHEDHM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825416556 609271896 /nfs/dbraw/zinc/27/18/96/609271896.db2.gz KFHVWELFEWGSKQ-KPKJPENVSA-N -1 3 365.412 3.748 20 30 FHEDHM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825416556 609271897 /nfs/dbraw/zinc/27/18/97/609271897.db2.gz KFHVWELFEWGSKQ-KPKJPENVSA-N -1 3 365.412 3.748 20 30 FHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1OC(F)F ZINC000826297854 609309719 /nfs/dbraw/zinc/30/97/19/609309719.db2.gz VIAAEBAJWHRKSI-SOFGYWHQSA-N -1 3 374.322 3.812 20 30 FHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1OC(F)F ZINC000826297854 609309721 /nfs/dbraw/zinc/30/97/21/609309721.db2.gz VIAAEBAJWHRKSI-SOFGYWHQSA-N -1 3 374.322 3.812 20 30 FHEDHM Clc1cc(NN=C2CSCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000826351543 609472048 /nfs/dbraw/zinc/47/20/48/609472048.db2.gz QNSWVCXYBXASLY-UHFFFAOYSA-N -1 3 356.842 3.583 20 30 FHEDHM Clc1cc(NN=C2CSCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000826351543 609472051 /nfs/dbraw/zinc/47/20/51/609472051.db2.gz QNSWVCXYBXASLY-UHFFFAOYSA-N -1 3 356.842 3.583 20 30 FHEDHM Cc1cc(C(C#N)=C([O-])c2cc(F)c(C(F)(F)F)c(F)c2)nc(C)n1 ZINC000683221240 928292530 /nfs/dbraw/zinc/29/25/30/928292530.db2.gz PZTOQGQZCVKKBX-JTQLQIEISA-N -1 3 355.266 3.881 20 30 FHEDHM C=C(C)CN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000683260720 928986542 /nfs/dbraw/zinc/98/65/42/928986542.db2.gz CFHWBTQPRJSNFD-UHFFFAOYSA-N -1 3 369.646 3.592 20 30 FHEDHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000083536716 930612197 /nfs/dbraw/zinc/61/21/97/930612197.db2.gz NFXVHYCWUKCTCQ-UHFFFAOYSA-N -1 3 358.316 3.825 20 30 FHEDHM CC(=O)N1CCc2cc(N=Cc3cc(Br)ccc3[O-])ccc21 ZINC000255241798 931405694 /nfs/dbraw/zinc/40/56/94/931405694.db2.gz WYBLNVUEUSPREJ-UHFFFAOYSA-N -1 3 359.223 3.814 20 30 FHEDHM C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1ncccc1[O-] ZINC000581407790 931976337 /nfs/dbraw/zinc/97/63/37/931976337.db2.gz CLKAZEQMERWQJV-UHFFFAOYSA-N -1 3 359.838 3.629 20 30 FHEDHM O=C(Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1)N1CCSCC1 ZINC000255322404 932249579 /nfs/dbraw/zinc/24/95/79/932249579.db2.gz BAKZCWXKXIQDJR-UHFFFAOYSA-N -1 3 374.893 3.914 20 30 FHEDHM Cc1cc2nc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)oc2c(C)c1 ZINC000610514291 932318624 /nfs/dbraw/zinc/31/86/24/932318624.db2.gz ZIQRCSMHRWFFOJ-UHFFFAOYSA-N -1 3 364.405 3.605 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cn1 ZINC000127242094 932438234 /nfs/dbraw/zinc/43/82/34/932438234.db2.gz OJYHTEYURMZHHG-UHFFFAOYSA-N -1 3 362.625 3.714 20 30 FHEDHM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2[nH]1 ZINC000119582871 934899446 /nfs/dbraw/zinc/89/94/46/934899446.db2.gz BMAJHSVENICGFQ-UHFFFAOYSA-N -1 3 354.435 3.533 20 30 FHEDHM N#Cc1ccc(Oc2cccc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c2)cc1 ZINC000473855009 945097021 /nfs/dbraw/zinc/09/70/21/945097021.db2.gz HVUNRDKSKPWDQJ-IBGZPJMESA-N -1 3 374.400 3.599 20 30 FHEDHM N#Cc1cccc(Nc2ccc([O-])c(I)c2)c1F ZINC001216416416 935614356 /nfs/dbraw/zinc/61/43/56/935614356.db2.gz ZCQGMODDYYSPPQ-UHFFFAOYSA-N -1 3 354.122 3.751 20 30 FHEDHM Cc1nn(C)c2nc(C)cc(C([O-])=C(C#N)c3ccc4ccccc4n3)c12 ZINC000047376162 945133454 /nfs/dbraw/zinc/13/34/54/945133454.db2.gz OXFBLDFGKVQJGS-MRXNPFEDSA-N -1 3 355.401 3.623 20 30 FHEDHM Cc1ccc(N=Cc2cc(Br)ccc2[O-])cc1S(C)(=O)=O ZINC000255554859 936173345 /nfs/dbraw/zinc/17/33/45/936173345.db2.gz OTSDWNLXMZVCFR-UHFFFAOYSA-N -1 3 368.252 3.617 20 30 FHEDHM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126601061 945152501 /nfs/dbraw/zinc/15/25/01/945152501.db2.gz BHIKVMOTAIAJBI-LBPRGKRZSA-N -1 3 350.346 3.864 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C(C)(C)c2ccccc2)no1 ZINC000278278985 938276778 /nfs/dbraw/zinc/27/67/78/938276778.db2.gz WAPSRJZUBMUUAV-UHFFFAOYSA-N -1 3 362.433 3.770 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1COc2cc(Cl)ccc21 ZINC000278467461 938456520 /nfs/dbraw/zinc/45/65/20/938456520.db2.gz NISYHPFQIUCIQJ-KRWDZBQOSA-N -1 3 372.808 3.539 20 30 FHEDHM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000472394670 939211443 /nfs/dbraw/zinc/21/14/43/939211443.db2.gz CIXCQXHNYUTSHZ-ZDUSSCGKSA-N -1 3 359.307 3.604 20 30 FHEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000819718444 945274421 /nfs/dbraw/zinc/27/44/21/945274421.db2.gz HHMNNCPGONETKB-UHFFFAOYSA-N -1 3 354.417 3.657 20 30 FHEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000819718444 945274434 /nfs/dbraw/zinc/27/44/34/945274434.db2.gz HHMNNCPGONETKB-UHFFFAOYSA-N -1 3 354.417 3.657 20 30 FHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(C(C)=O)c2)cc1 ZINC000892502129 940115289 /nfs/dbraw/zinc/11/52/89/940115289.db2.gz VZTJHAMKOPNLAU-ORAYPTAESA-N -1 3 363.417 3.759 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2CCc3ccccc3C2)no1 ZINC000612952146 940356918 /nfs/dbraw/zinc/35/69/18/940356918.db2.gz WEBRSLJTKGELSC-QGZVFWFLSA-N -1 3 374.444 3.716 20 30 FHEDHM N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000187451455 941097377 /nfs/dbraw/zinc/09/73/77/941097377.db2.gz GJCCBZPOTFRTLD-UHFFFAOYSA-N -1 3 355.357 3.874 20 30 FHEDHM C=CCCO[C@@H](C)C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000589167382 941234279 /nfs/dbraw/zinc/23/42/79/941234279.db2.gz WKLBSQXQABTLGB-JTQLQIEISA-N -1 3 354.237 3.725 20 30 FHEDHM N#C[C@H]1N(C(=O)c2cc([O-])c3ccccc3c2)CCC[C@]12CCCCO2 ZINC000376783916 941429154 /nfs/dbraw/zinc/42/91/54/941429154.db2.gz BFEYTTPABFJDLF-TZIWHRDSSA-N -1 3 350.418 3.613 20 30 FHEDHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(F)c1 ZINC000183038366 942070187 /nfs/dbraw/zinc/07/01/87/942070187.db2.gz IJXUKNNRRQJOGN-UHFFFAOYSA-N -1 3 368.817 3.939 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416303063 942632155 /nfs/dbraw/zinc/63/21/55/942632155.db2.gz GPAQBNGQCJZKPR-QZTJIDSGSA-N -1 3 357.498 3.882 20 30 FHEDHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000190379330 943000529 /nfs/dbraw/zinc/00/05/29/943000529.db2.gz SSHRMFTYXQSTPE-UHFFFAOYSA-N -1 3 372.837 3.507 20 30 FHEDHM Cc1ncc(CO)c(/C=N/[C@H](CCc2ccccc2)C(F)(F)F)c1[O-] ZINC000272185514 943108350 /nfs/dbraw/zinc/10/83/50/943108350.db2.gz DMHOJECGLZONRA-GENGVREBSA-N -1 3 352.356 3.571 20 30 FHEDHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1C ZINC000435136723 943190073 /nfs/dbraw/zinc/19/00/73/943190073.db2.gz GPNVQXFQQXYHNI-UHFFFAOYSA-N -1 3 374.462 3.772 20 30 FHEDHM C=CC[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000664471850 943200660 /nfs/dbraw/zinc/20/06/60/943200660.db2.gz WZSUDVDGLIVOKT-LBPRGKRZSA-N -1 3 353.260 3.652 20 30 FHEDHM N#CC(=C([O-])c1cnc(C2CC2)nc1)c1nc2ccccc2n1C(F)F ZINC000515038543 943466604 /nfs/dbraw/zinc/46/66/04/943466604.db2.gz OIYBGRUYCRDENF-GFCCVEGCSA-N -1 3 353.332 3.589 20 30 FHEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000435590632 943507406 /nfs/dbraw/zinc/50/74/06/943507406.db2.gz XJLAMYIMTIXSPA-WBMJQRKESA-N -1 3 369.870 3.654 20 30 FHEDHM N#CC(=C([O-])c1cccc2[nH]c(=O)oc21)c1nc2ccccc2n1C(F)F ZINC000504542182 943666202 /nfs/dbraw/zinc/66/62/02/943666202.db2.gz ROYMXMHJVUKGKG-SNVBAGLBSA-N -1 3 368.299 3.768 20 30 FHEDHM N#Cc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C(F)(F)F)c1 ZINC000417618834 943754391 /nfs/dbraw/zinc/75/43/91/943754391.db2.gz DKCQTCVTJSNQAJ-NVXWUHKLSA-N -1 3 360.335 3.980 20 30 FHEDHM C=CCOCCCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000439151976 944366602 /nfs/dbraw/zinc/36/66/02/944366602.db2.gz JAYLFSFRSYJDPO-UHFFFAOYSA-N -1 3 354.237 3.727 20 30 FHEDHM COc1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c([O-])c1 ZINC000436601530 944454280 /nfs/dbraw/zinc/45/42/80/944454280.db2.gz IQLOTTGSYLLLKE-ZDUSSCGKSA-N -1 3 351.189 3.702 20 30 FHEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436715172 944553722 /nfs/dbraw/zinc/55/37/22/944553722.db2.gz WAFPRHQDBFUQOB-UHFFFAOYSA-N -1 3 350.418 3.767 20 30 FHEDHM COc1cc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3C)cc(Cl)c1[O-] ZINC000162719255 944595366 /nfs/dbraw/zinc/59/53/66/944595366.db2.gz WRIWDDFWIHQQEG-XVNBXDOJSA-N -1 3 371.820 3.859 20 30 FHEDHM Cc1cc(CC/N=C/c2c([O-])c(C)ncc2CO)c(C)n1-c1ccccc1 ZINC000015149802 944830992 /nfs/dbraw/zinc/83/09/92/944830992.db2.gz BJHSNLYFWOPFEP-YDZHTSKRSA-N -1 3 363.461 3.657 20 30 FHEDHM N#Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000426820737 944843354 /nfs/dbraw/zinc/84/33/54/944843354.db2.gz MWWQQAQRSKQBHK-INIZCTEOSA-N -1 3 359.223 3.626 20 30 FHEDHM N#CCCCn1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c2ccccc21 ZINC000444149012 945994296 /nfs/dbraw/zinc/99/42/96/945994296.db2.gz ZHMYNLJSXNBFMT-UHFFFAOYSA-N -1 3 360.377 3.575 20 30 FHEDHM O=C1Nc2cc(F)ccc2C1=N[N-]c1ncc(C(F)(F)F)cc1Cl ZINC000018870590 946247097 /nfs/dbraw/zinc/24/70/97/946247097.db2.gz VUMYLZMCDAZJJY-UHFFFAOYSA-N -1 3 358.682 3.661 20 30 FHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CSc2c(Cl)cccc21 ZINC000823503547 946439330 /nfs/dbraw/zinc/43/93/30/946439330.db2.gz GUSXRVMEWKKPHZ-SOFGYWHQSA-N -1 3 360.851 3.954 20 30 FHEDHM C=CCCC[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000823894735 946506934 /nfs/dbraw/zinc/50/69/34/946506934.db2.gz WWUIKAUYFKJHIZ-MRXNPFEDSA-N -1 3 370.501 3.779 20 30 FHEDHM C=CCCC[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000823894735 946506944 /nfs/dbraw/zinc/50/69/44/946506944.db2.gz WWUIKAUYFKJHIZ-MRXNPFEDSA-N -1 3 370.501 3.779 20 30 FHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000186231447 946637877 /nfs/dbraw/zinc/63/78/77/946637877.db2.gz HWZNJZGWODFVMF-WDEREUQCSA-N -1 3 366.792 3.611 20 30 FHEDHM Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)cnc1N1CCCC[C@@H]1C ZINC000328641669 946962290 /nfs/dbraw/zinc/96/22/90/946962290.db2.gz DHPDCMGFEJQALD-LBPRGKRZSA-N -1 3 368.416 3.816 20 30 FHEDHM Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000328933633 947092508 /nfs/dbraw/zinc/09/25/08/947092508.db2.gz PUDJLXXFXXIZFA-LBPRGKRZSA-N -1 3 350.415 3.695 20 30 FHEDHM C=CC1(CC(=O)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCCCC1 ZINC001573316277 947269959 /nfs/dbraw/zinc/26/99/59/947269959.db2.gz USWSCGGUYQZGSF-UHFFFAOYSA-N -1 3 362.437 3.880 20 30 FHEDHM C=CC1(CC(=O)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCCCC1 ZINC001573316277 947269966 /nfs/dbraw/zinc/26/99/66/947269966.db2.gz USWSCGGUYQZGSF-UHFFFAOYSA-N -1 3 362.437 3.880 20 30 FHEDHM CCSc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825674402 947286202 /nfs/dbraw/zinc/28/62/02/947286202.db2.gz LCBLTOHUJVREKI-WMZJFQQLSA-N -1 3 366.446 3.883 20 30 FHEDHM CCSc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825674402 947286210 /nfs/dbraw/zinc/28/62/10/947286210.db2.gz LCBLTOHUJVREKI-WMZJFQQLSA-N -1 3 366.446 3.883 20 30 FHEDHM C=CCC[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)c(OC)c1)c1ccccc1 ZINC001573327870 947399527 /nfs/dbraw/zinc/39/95/27/947399527.db2.gz MINPHZOWBVQLAE-MRXNPFEDSA-N -1 3 364.405 3.531 20 30 FHEDHM C=CCC[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)c(OC)c1)c1ccccc1 ZINC001573327870 947399540 /nfs/dbraw/zinc/39/95/40/947399540.db2.gz MINPHZOWBVQLAE-MRXNPFEDSA-N -1 3 364.405 3.531 20 30 FHEDHM C=CCC[C@H](C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001573327895 947400273 /nfs/dbraw/zinc/40/02/73/947400273.db2.gz NKYDMCXSMKUPRG-SFHVURJKSA-N -1 3 359.433 3.506 20 30 FHEDHM C=CCC[C@H](C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001573327895 947400280 /nfs/dbraw/zinc/40/02/80/947400280.db2.gz NKYDMCXSMKUPRG-SFHVURJKSA-N -1 3 359.433 3.506 20 30 FHEDHM Cc1c(C(=O)C=Cc2c(F)cccc2Cl)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234266 947686722 /nfs/dbraw/zinc/68/67/22/947686722.db2.gz OHQGBIBGMOGGHA-BQYQJAHWSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1c(C(=O)C=Cc2c(F)cccc2Cl)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234266 947686726 /nfs/dbraw/zinc/68/67/26/947686726.db2.gz OHQGBIBGMOGGHA-BQYQJAHWSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826323971 947946921 /nfs/dbraw/zinc/94/69/21/947946921.db2.gz ZQRDOTVOOKZOHX-KTKRTIGZSA-N -1 3 353.451 3.825 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826323971 947946937 /nfs/dbraw/zinc/94/69/37/947946937.db2.gz ZQRDOTVOOKZOHX-KTKRTIGZSA-N -1 3 353.451 3.825 20 30 FHEDHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H]1CCC[C@H]1C#N ZINC000602977924 568036286 /nfs/dbraw/zinc/03/62/86/568036286.db2.gz IWFRMOHMBMPKBC-AAEUAGOBSA-N -1 3 354.435 3.781 20 30 FHEDHM O=C(CCC(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000065880257 568063502 /nfs/dbraw/zinc/06/35/02/568063502.db2.gz ODEZZECSHKWHFG-UHFFFAOYSA-N -1 3 355.785 3.771 20 30 FHEDHM O=C(CCC(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000065880257 568063503 /nfs/dbraw/zinc/06/35/03/568063503.db2.gz ODEZZECSHKWHFG-UHFFFAOYSA-N -1 3 355.785 3.771 20 30 FHEDHM O=C(CCC(=O)c1ccc(Cl)cc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000065880257 568063504 /nfs/dbraw/zinc/06/35/04/568063504.db2.gz ODEZZECSHKWHFG-UHFFFAOYSA-N -1 3 355.785 3.771 20 30 FHEDHM N#CC(=C([O-])c1cccc(-c2cscn2)c1)c1nnc2n1CCCCC2 ZINC000525796165 568287131 /nfs/dbraw/zinc/28/71/31/568287131.db2.gz PJKKDBSQNUNMNX-OAHLLOKOSA-N -1 3 363.446 3.618 20 30 FHEDHM C=CCCCCCN(C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735408387 598827212 /nfs/dbraw/zinc/82/72/12/598827212.db2.gz KLLAZFMKWLJLOE-UHFFFAOYSA-N -1 3 364.906 3.895 20 30 FHEDHM C=CCCCCCN(C)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735408387 598827213 /nfs/dbraw/zinc/82/72/13/598827213.db2.gz KLLAZFMKWLJLOE-UHFFFAOYSA-N -1 3 364.906 3.895 20 30 FHEDHM Clc1cccc2c1OCCCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000737574503 598861663 /nfs/dbraw/zinc/86/16/63/598861663.db2.gz LADMHCFBKQBPGL-UHFFFAOYSA-N -1 3 354.801 3.509 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sccc1C1CC1 ZINC000735420384 598863994 /nfs/dbraw/zinc/86/39/94/598863994.db2.gz PELRBQIMKMKZEV-UHFFFAOYSA-N -1 3 365.462 3.634 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sccc1C1CC1 ZINC000735420384 598863995 /nfs/dbraw/zinc/86/39/95/598863995.db2.gz PELRBQIMKMKZEV-UHFFFAOYSA-N -1 3 365.462 3.634 20 30 FHEDHM CCCCC1CCC(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC1 ZINC000736439242 598926157 /nfs/dbraw/zinc/92/61/57/598926157.db2.gz TVKBKQZFDRMHOS-UHFFFAOYSA-N -1 3 352.442 3.673 20 30 FHEDHM CCCCC1CCC(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1 ZINC000736439242 598926158 /nfs/dbraw/zinc/92/61/58/598926158.db2.gz TVKBKQZFDRMHOS-UHFFFAOYSA-N -1 3 352.442 3.673 20 30 FHEDHM CC1(C)Cc2cc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)ccc2O1 ZINC000820606911 599112638 /nfs/dbraw/zinc/11/26/38/599112638.db2.gz FHUHWDYCGKKVDQ-OQLLNIDSSA-N -1 3 372.428 3.793 20 30 FHEDHM CC1(C)Cc2cc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)ccc2O1 ZINC000820606911 599112640 /nfs/dbraw/zinc/11/26/40/599112640.db2.gz FHUHWDYCGKKVDQ-OQLLNIDSSA-N -1 3 372.428 3.793 20 30 FHEDHM COc1ccc(C=CC(=O)c2oc3ccccc3c2C)cc1-c1nnn[n-]1 ZINC000737080736 599153435 /nfs/dbraw/zinc/15/34/35/599153435.db2.gz HCNZUPZOJISECK-VQHVLOKHSA-N -1 3 360.373 3.826 20 30 FHEDHM COc1ccc(C=CC(=O)c2oc3ccccc3c2C)cc1-c1nn[n-]n1 ZINC000737080736 599153439 /nfs/dbraw/zinc/15/34/39/599153439.db2.gz HCNZUPZOJISECK-VQHVLOKHSA-N -1 3 360.373 3.826 20 30 FHEDHM CC[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(C)cc1 ZINC000736330743 599190891 /nfs/dbraw/zinc/19/08/91/599190891.db2.gz FPQGMNTWNALVQZ-CQSZACIVSA-N -1 3 360.421 3.569 20 30 FHEDHM CC[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(C)cc1 ZINC000736330743 599190894 /nfs/dbraw/zinc/19/08/94/599190894.db2.gz FPQGMNTWNALVQZ-CQSZACIVSA-N -1 3 360.421 3.569 20 30 FHEDHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735922636 599193409 /nfs/dbraw/zinc/19/34/09/599193409.db2.gz GFCKUNSLXATSLR-IEBWSBKVSA-N -1 3 372.432 3.604 20 30 FHEDHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735922636 599193412 /nfs/dbraw/zinc/19/34/12/599193412.db2.gz GFCKUNSLXATSLR-IEBWSBKVSA-N -1 3 372.432 3.604 20 30 FHEDHM N#Cc1ccc(NC(=O)CCCCCc2cccs2)cc1-c1nnn[n-]1 ZINC000737717017 599196286 /nfs/dbraw/zinc/19/62/86/599196286.db2.gz YCHVNKQHAJFYJT-UHFFFAOYSA-N -1 3 366.450 3.541 20 30 FHEDHM N#Cc1ccc(NC(=O)CCCCCc2cccs2)cc1-c1nn[n-]n1 ZINC000737717017 599196289 /nfs/dbraw/zinc/19/62/89/599196289.db2.gz YCHVNKQHAJFYJT-UHFFFAOYSA-N -1 3 366.450 3.541 20 30 FHEDHM C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819745996 607282657 /nfs/dbraw/zinc/28/26/57/607282657.db2.gz XPOSLKAVMOGUMJ-UHFFFAOYSA-N -1 3 366.400 3.534 20 30 FHEDHM C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819745996 607282658 /nfs/dbraw/zinc/28/26/58/607282658.db2.gz XPOSLKAVMOGUMJ-UHFFFAOYSA-N -1 3 366.400 3.534 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccsc1 ZINC000735451338 598313478 /nfs/dbraw/zinc/31/34/78/598313478.db2.gz YDIKUZGEFKIYTN-UHFFFAOYSA-N -1 3 352.345 3.783 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccsc1 ZINC000735451338 598313479 /nfs/dbraw/zinc/31/34/79/598313479.db2.gz YDIKUZGEFKIYTN-UHFFFAOYSA-N -1 3 352.345 3.783 20 30 FHEDHM Fc1ccc(F)c(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737660869 598314555 /nfs/dbraw/zinc/31/45/55/598314555.db2.gz UBTMOIAAUNRWGT-UHFFFAOYSA-N -1 3 368.269 3.610 20 30 FHEDHM Fc1ccc(F)c(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737660869 598314557 /nfs/dbraw/zinc/31/45/57/598314557.db2.gz UBTMOIAAUNRWGT-UHFFFAOYSA-N -1 3 368.269 3.610 20 30 FHEDHM FC(F)(F)c1cc(NN=Cc2ccccc2Cl)ccc1-c1nnn[n-]1 ZINC000737633645 598314583 /nfs/dbraw/zinc/31/45/83/598314583.db2.gz UNMYESBGEPEPGD-UHFFFAOYSA-N -1 3 366.734 3.985 20 30 FHEDHM FC(F)(F)c1cc(NN=Cc2ccccc2Cl)ccc1-c1nn[n-]n1 ZINC000737633645 598314584 /nfs/dbraw/zinc/31/45/84/598314584.db2.gz UNMYESBGEPEPGD-UHFFFAOYSA-N -1 3 366.734 3.985 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C(F)F)cc1 ZINC000735420691 598326957 /nfs/dbraw/zinc/32/69/57/598326957.db2.gz QCFSYJJHIWRNJC-UHFFFAOYSA-N -1 3 369.375 3.633 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C(F)F)cc1 ZINC000735420691 598326959 /nfs/dbraw/zinc/32/69/59/598326959.db2.gz QCFSYJJHIWRNJC-UHFFFAOYSA-N -1 3 369.375 3.633 20 30 FHEDHM C=CCOc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000735436872 598438946 /nfs/dbraw/zinc/43/89/46/598438946.db2.gz SESWEYMSUFJTCF-SOFGYWHQSA-N -1 3 366.808 3.981 20 30 FHEDHM C=CCOc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000735436872 598438947 /nfs/dbraw/zinc/43/89/47/598438947.db2.gz SESWEYMSUFJTCF-SOFGYWHQSA-N -1 3 366.808 3.981 20 30 FHEDHM C=C(C)COc1cccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000735402326 598440728 /nfs/dbraw/zinc/44/07/28/598440728.db2.gz QVHKFMUJTITNHV-UHFFFAOYSA-N -1 3 366.450 3.631 20 30 FHEDHM C=C(C)COc1cccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000735402326 598440729 /nfs/dbraw/zinc/44/07/29/598440729.db2.gz QVHKFMUJTITNHV-UHFFFAOYSA-N -1 3 366.450 3.631 20 30 FHEDHM C=C(C)CN(CC)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735398488 598649862 /nfs/dbraw/zinc/64/98/62/598649862.db2.gz HSVGTMBSJMPFDD-UHFFFAOYSA-N -1 3 363.421 3.697 20 30 FHEDHM C=C(C)CN(CC)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735398488 598649864 /nfs/dbraw/zinc/64/98/64/598649864.db2.gz HSVGTMBSJMPFDD-UHFFFAOYSA-N -1 3 363.421 3.697 20 30 FHEDHM CCOc1cccc(C=Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1O ZINC000821426248 607367332 /nfs/dbraw/zinc/36/73/32/607367332.db2.gz ASQRIYCYDKEZOA-UHFFFAOYSA-N -1 3 367.409 3.509 20 30 FHEDHM CCOc1cccc(C=Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1O ZINC000821426248 607367333 /nfs/dbraw/zinc/36/73/33/607367333.db2.gz ASQRIYCYDKEZOA-UHFFFAOYSA-N -1 3 367.409 3.509 20 30 FHEDHM N#CCOc1ccc(Cl)cc1CSc1ccccc1-c1nnn[n-]1 ZINC000822814907 599350479 /nfs/dbraw/zinc/35/04/79/599350479.db2.gz LFCMGWPRYLGAIT-UHFFFAOYSA-N -1 3 357.826 3.715 20 30 FHEDHM N#CCOc1ccc(Cl)cc1CSc1ccccc1-c1nn[n-]n1 ZINC000822814907 599350480 /nfs/dbraw/zinc/35/04/80/599350480.db2.gz LFCMGWPRYLGAIT-UHFFFAOYSA-N -1 3 357.826 3.715 20 30 FHEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1cc(Cl)ccc1OCC#N ZINC000822129563 599387479 /nfs/dbraw/zinc/38/74/79/599387479.db2.gz LIBRTISXJDLDLM-UHFFFAOYSA-N -1 3 369.812 3.618 20 30 FHEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000736139387 599520495 /nfs/dbraw/zinc/52/04/95/599520495.db2.gz QHEUUQYYNZNJHY-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM N#CCN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CCCC1 ZINC000737692747 599589865 /nfs/dbraw/zinc/58/98/65/599589865.db2.gz IZHQWQJHUXSYAU-UHFFFAOYSA-N -1 3 358.449 3.802 20 30 FHEDHM N#CCN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CCCC1 ZINC000737692747 599589867 /nfs/dbraw/zinc/58/98/67/599589867.db2.gz IZHQWQJHUXSYAU-UHFFFAOYSA-N -1 3 358.449 3.802 20 30 FHEDHM CCN(CC)c1ccc(/C=[NH+]\[C@@H](CC(=O)[O-])c2ccc(OC)cc2)c([O-])c1 ZINC000737089501 600494369 /nfs/dbraw/zinc/49/43/69/600494369.db2.gz XFXMLVOCTWSWNY-MAGMUUGSSA-N -1 3 370.449 3.882 20 30 FHEDHM N#Cc1ccc([C@H](N[C@@H]2CCc3cc(Br)ccc32)C(=O)[O-])cc1 ZINC000739107516 600596317 /nfs/dbraw/zinc/59/63/17/600596317.db2.gz RLLAMPFNZUKCRV-SJORKVTESA-N -1 3 371.234 3.724 20 30 FHEDHM Cc1cc(Br)cc(C)c1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738314401 600596556 /nfs/dbraw/zinc/59/65/56/600596556.db2.gz KIDZXAHBXDAAPH-QGZVFWFLSA-N -1 3 373.250 3.853 20 30 FHEDHM N#Cc1ccc([C@H](N[C@@H]2CCc3c2cccc3Br)C(=O)[O-])cc1 ZINC000739106322 600598112 /nfs/dbraw/zinc/59/81/12/600598112.db2.gz LFDLELJLIUZUTI-SJORKVTESA-N -1 3 371.234 3.724 20 30 FHEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000827717413 601297270 /nfs/dbraw/zinc/29/72/70/601297270.db2.gz HLMFKGJVABXXEX-BZNIZROVSA-N -1 3 359.223 3.797 20 30 FHEDHM CCOc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OCC ZINC000830063488 601297719 /nfs/dbraw/zinc/29/77/19/601297719.db2.gz CJTPJIDXOUKSMG-VBKZILBWSA-N -1 3 368.433 3.832 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826400746 607647045 /nfs/dbraw/zinc/64/70/45/607647045.db2.gz HAXIHIXCPJJRGY-GHXNOFRVSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826400746 607647047 /nfs/dbraw/zinc/64/70/47/607647047.db2.gz HAXIHIXCPJJRGY-GHXNOFRVSA-N -1 3 353.385 3.825 20 30 FHEDHM CC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000827515082 605188698 /nfs/dbraw/zinc/18/86/98/605188698.db2.gz XLTVZOJHOVIPOZ-NEPJUHHUSA-N -1 3 363.826 3.686 20 30 FHEDHM N#Cc1csc(C=C2CCC(=Cc3cc(-c4nnn[n-]4)cs3)C2=O)c1 ZINC000822846245 606302784 /nfs/dbraw/zinc/30/27/84/606302784.db2.gz RIYFSJTZOQIIMM-VQCVYIJISA-N -1 3 365.443 3.691 20 30 FHEDHM N#Cc1csc(C=C2CCC(=Cc3cc(-c4nn[n-]n4)cs3)C2=O)c1 ZINC000822846245 606302786 /nfs/dbraw/zinc/30/27/86/606302786.db2.gz RIYFSJTZOQIIMM-VQCVYIJISA-N -1 3 365.443 3.691 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1C(F)(F)F ZINC000822923543 606302880 /nfs/dbraw/zinc/30/28/80/606302880.db2.gz SRFCKTVVWYRNRW-WAYWQWQTSA-N -1 3 350.325 3.843 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1C(F)(F)F ZINC000822923543 606302882 /nfs/dbraw/zinc/30/28/82/606302882.db2.gz SRFCKTVVWYRNRW-WAYWQWQTSA-N -1 3 350.325 3.843 20 30 FHEDHM CCOc1cccc2cc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)oc21 ZINC000821431320 606303708 /nfs/dbraw/zinc/30/37/08/606303708.db2.gz POLBGLFVKTZDDQ-SREVYHEPSA-N -1 3 366.402 3.969 20 30 FHEDHM CCOc1cccc2cc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)oc21 ZINC000821431320 606303709 /nfs/dbraw/zinc/30/37/09/606303709.db2.gz POLBGLFVKTZDDQ-SREVYHEPSA-N -1 3 366.402 3.969 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000822922783 606306369 /nfs/dbraw/zinc/30/63/69/606306369.db2.gz JUMOWICTSAOCST-AATRIKPKSA-N -1 3 366.324 3.723 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000822922783 606306371 /nfs/dbraw/zinc/30/63/71/606306371.db2.gz JUMOWICTSAOCST-AATRIKPKSA-N -1 3 366.324 3.723 20 30 FHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821421836 606307030 /nfs/dbraw/zinc/30/70/30/606307030.db2.gz GKDLVWCRRVYVJN-PLNGDYQASA-N -1 3 360.826 3.876 20 30 FHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821421836 606307033 /nfs/dbraw/zinc/30/70/33/606307033.db2.gz GKDLVWCRRVYVJN-PLNGDYQASA-N -1 3 360.826 3.876 20 30 FHEDHM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nnn[n-]4)s3)C2=O)s1 ZINC000822825739 606387911 /nfs/dbraw/zinc/38/79/11/606387911.db2.gz NOKBLSCIKLYRHX-WAKDDQPJSA-N -1 3 365.443 3.691 20 30 FHEDHM Cc1cc(Cl)cc2c1OCC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000822202192 606391128 /nfs/dbraw/zinc/39/11/28/606391128.db2.gz OQLOBENYIDOTBT-UITAMQMPSA-N -1 3 358.810 3.549 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1c[nH]c2cc(Cl)ccc12 ZINC000822922478 606391659 /nfs/dbraw/zinc/39/16/59/606391659.db2.gz GMGLUFJLCSUDFQ-DJWKRKHSSA-N -1 3 355.810 3.959 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(-c2ccncc2)cc1 ZINC000822923001 606392666 /nfs/dbraw/zinc/39/26/66/606392666.db2.gz MDXFXDHJLHDBLO-FNORWQNLSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(-c2ccncc2)cc1 ZINC000822923000 606392938 /nfs/dbraw/zinc/39/29/38/606392938.db2.gz MDXFXDHJLHDBLO-ALCCZGGFSA-N -1 3 359.414 3.886 20 30 FHEDHM C=CCN(Cc1nc(C(C)(C)C)cs1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745530 606704837 /nfs/dbraw/zinc/70/48/37/606704837.db2.gz HUEZLKVLNUBATR-UHFFFAOYSA-N -1 3 368.510 3.809 20 30 FHEDHM C=CCN(Cc1nc(C(C)(C)C)cs1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745530 606704839 /nfs/dbraw/zinc/70/48/39/606704839.db2.gz HUEZLKVLNUBATR-UHFFFAOYSA-N -1 3 368.510 3.809 20 30 FHEDHM C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456916 606920260 /nfs/dbraw/zinc/92/02/60/606920260.db2.gz XCBQMUMPKYWWCX-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456916 606920261 /nfs/dbraw/zinc/92/02/61/606920261.db2.gz XCBQMUMPKYWWCX-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM C=CCC(CC=C)C(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OCC ZINC000819734886 607016257 /nfs/dbraw/zinc/01/62/57/607016257.db2.gz WSRIROSPUKBTSZ-UHFFFAOYSA-N -1 3 362.817 3.593 20 30 FHEDHM C=CCC(CC=C)C(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OCC ZINC000819734886 607016258 /nfs/dbraw/zinc/01/62/58/607016258.db2.gz WSRIROSPUKBTSZ-UHFFFAOYSA-N -1 3 362.817 3.593 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)c(F)c1 ZINC000822929122 607123101 /nfs/dbraw/zinc/12/31/01/607123101.db2.gz PWOLHVJICLXGSB-QPJJXVBHSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)c(F)c1 ZINC000822929122 607123102 /nfs/dbraw/zinc/12/31/02/607123102.db2.gz PWOLHVJICLXGSB-QPJJXVBHSA-N -1 3 373.185 3.664 20 30 FHEDHM N#Cc1ccccc1C=C1CCCC(=Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000826387371 607883920 /nfs/dbraw/zinc/88/39/20/607883920.db2.gz RWUFGYZEEQQFRQ-BQWARBPISA-N -1 3 367.412 3.958 20 30 FHEDHM N#Cc1ccccc1C=C1CCCC(=Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000826387371 607883921 /nfs/dbraw/zinc/88/39/21/607883921.db2.gz RWUFGYZEEQQFRQ-BQWARBPISA-N -1 3 367.412 3.958 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1OC(F)F ZINC000826401514 607884681 /nfs/dbraw/zinc/88/46/81/607884681.db2.gz ASUZHEBXWHPKDO-VMPITWQZSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1OC(F)F ZINC000826401514 607884682 /nfs/dbraw/zinc/88/46/82/607884682.db2.gz ASUZHEBXWHPKDO-VMPITWQZSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C1c2cc(OC(F)(F)F)ccc2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476073 607885221 /nfs/dbraw/zinc/88/52/21/607885221.db2.gz ADUZNAQTGZKBBG-KPKJPENVSA-N -1 3 372.306 3.588 20 30 FHEDHM O=C1c2cc(OC(F)(F)F)ccc2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476073 607885222 /nfs/dbraw/zinc/88/52/22/607885222.db2.gz ADUZNAQTGZKBBG-KPKJPENVSA-N -1 3 372.306 3.588 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000823909675 607888383 /nfs/dbraw/zinc/88/83/83/607888383.db2.gz MXBYFRAERCENJM-QGZVFWFLSA-N -1 3 353.470 3.598 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000823909675 607888384 /nfs/dbraw/zinc/88/83/84/607888384.db2.gz MXBYFRAERCENJM-QGZVFWFLSA-N -1 3 353.470 3.598 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826323399 607915720 /nfs/dbraw/zinc/91/57/20/607915720.db2.gz CIZVUIMLIOKRSN-SOFGYWHQSA-N -1 3 371.441 3.964 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826323399 607915721 /nfs/dbraw/zinc/91/57/21/607915721.db2.gz CIZVUIMLIOKRSN-SOFGYWHQSA-N -1 3 371.441 3.964 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826395420 607916111 /nfs/dbraw/zinc/91/61/11/607916111.db2.gz ASWRABPGEPIBNE-UTCJRWHESA-N -1 3 360.204 3.652 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826395420 607916112 /nfs/dbraw/zinc/91/61/12/607916112.db2.gz ASWRABPGEPIBNE-UTCJRWHESA-N -1 3 360.204 3.652 20 30 FHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1ccc(-c2nnn[n-]2)cc1)CC3 ZINC000826212720 608229068 /nfs/dbraw/zinc/22/90/68/608229068.db2.gz ZJVFCIXKFNCTCS-UVTDQMKNSA-N -1 3 371.400 3.569 20 30 FHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1ccc(-c2nn[n-]n2)cc1)CC3 ZINC000826212720 608229069 /nfs/dbraw/zinc/22/90/69/608229069.db2.gz ZJVFCIXKFNCTCS-UVTDQMKNSA-N -1 3 371.400 3.569 20 30 FHEDHM Cc1ccc(-c2nnn[n-]2)c(NCc2cccc(-c3ccc(C#N)s3)c2)n1 ZINC000826276440 608290069 /nfs/dbraw/zinc/29/00/69/608290069.db2.gz GVUBSKOCNBGHPN-UHFFFAOYSA-N -1 3 373.445 3.782 20 30 FHEDHM Cc1ccc(-c2nn[n-]n2)c(NCc2cccc(-c3ccc(C#N)s3)c2)n1 ZINC000826276440 608290070 /nfs/dbraw/zinc/29/00/70/608290070.db2.gz GVUBSKOCNBGHPN-UHFFFAOYSA-N -1 3 373.445 3.782 20 30 FHEDHM C=CCC(CC=C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823888326 608304786 /nfs/dbraw/zinc/30/47/86/608304786.db2.gz IXMBGSUWYDAYBC-UHFFFAOYSA-N -1 3 373.460 3.918 20 30 FHEDHM C=CCC(CC=C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823888326 608304787 /nfs/dbraw/zinc/30/47/87/608304787.db2.gz IXMBGSUWYDAYBC-UHFFFAOYSA-N -1 3 373.460 3.918 20 30 FHEDHM Clc1ccc2c(c1)OCCCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826352896 608388896 /nfs/dbraw/zinc/38/88/96/608388896.db2.gz RUXXWPUMNXXPOX-UHFFFAOYSA-N -1 3 354.801 3.509 20 30 FHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCC[C@H]2Cc2ccccc2)n1 ZINC000826350480 608535112 /nfs/dbraw/zinc/53/51/12/608535112.db2.gz YELACTJDFJJLLH-ZDUSSCGKSA-N -1 3 367.844 3.726 20 30 FHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCC[C@H]2Cc2ccccc2)n1 ZINC000826350480 608535113 /nfs/dbraw/zinc/53/51/13/608535113.db2.gz YELACTJDFJJLLH-ZDUSSCGKSA-N -1 3 367.844 3.726 20 30 FHEDHM Cc1cccc2c1[C@H](C)CC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826304895 608536203 /nfs/dbraw/zinc/53/62/03/608536203.db2.gz CEVYKXWVYMPCNQ-SNVBAGLBSA-N -1 3 353.817 3.547 20 30 FHEDHM Cc1cccc2c1[C@H](C)CC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826304895 608536204 /nfs/dbraw/zinc/53/62/04/608536204.db2.gz CEVYKXWVYMPCNQ-SNVBAGLBSA-N -1 3 353.817 3.547 20 30 FHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(F)cc1Cl ZINC000823954062 608539799 /nfs/dbraw/zinc/53/97/99/608539799.db2.gz XLLYYVKZYIJQFI-UHFFFAOYSA-N -1 3 366.187 3.544 20 30 FHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)cc1Cl ZINC000823954062 608539800 /nfs/dbraw/zinc/53/98/00/608539800.db2.gz XLLYYVKZYIJQFI-UHFFFAOYSA-N -1 3 366.187 3.544 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]c2cc(F)ccc12 ZINC000826401251 608881572 /nfs/dbraw/zinc/88/15/72/608881572.db2.gz TVUJHJZQRLIITB-QHHAFSJGSA-N -1 3 351.316 3.522 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]c2cc(F)ccc12 ZINC000826401251 608881574 /nfs/dbraw/zinc/88/15/74/608881574.db2.gz TVUJHJZQRLIITB-QHHAFSJGSA-N -1 3 351.316 3.522 20 30 FHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1OC(F)F ZINC000826297820 609270694 /nfs/dbraw/zinc/27/06/94/609270694.db2.gz UHMOACJKHXQBBS-SOFGYWHQSA-N -1 3 374.322 3.812 20 30 FHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1OC(F)F ZINC000826297820 609270696 /nfs/dbraw/zinc/27/06/96/609270696.db2.gz UHMOACJKHXQBBS-SOFGYWHQSA-N -1 3 374.322 3.812 20 30 FHEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1SC ZINC000826178977 609271778 /nfs/dbraw/zinc/27/17/78/609271778.db2.gz SWKGNDBNFNUOTR-CLTKARDFSA-N -1 3 370.409 3.632 20 30 FHEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1SC ZINC000826178977 609271779 /nfs/dbraw/zinc/27/17/79/609271779.db2.gz SWKGNDBNFNUOTR-CLTKARDFSA-N -1 3 370.409 3.632 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400530 609272195 /nfs/dbraw/zinc/27/21/95/609272195.db2.gz AWFWBBKJDHRIPW-BAQGIRSFSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400530 609272196 /nfs/dbraw/zinc/27/21/96/609272196.db2.gz AWFWBBKJDHRIPW-BAQGIRSFSA-N -1 3 360.295 3.503 20 30 FHEDHM C=CCCCN(C)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823893898 609319896 /nfs/dbraw/zinc/31/98/96/609319896.db2.gz ARHNECNBDPPREN-UHFFFAOYSA-N -1 3 363.421 3.697 20 30 FHEDHM C=CCCCN(C)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823893898 609319897 /nfs/dbraw/zinc/31/98/97/609319897.db2.gz ARHNECNBDPPREN-UHFFFAOYSA-N -1 3 363.421 3.697 20 30 FHEDHM C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662214 609346229 /nfs/dbraw/zinc/34/62/29/609346229.db2.gz FVOXIPXVYZQOSS-ZDUSSCGKSA-N -1 3 366.400 3.861 20 30 FHEDHM C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662214 609346231 /nfs/dbraw/zinc/34/62/31/609346231.db2.gz FVOXIPXVYZQOSS-ZDUSSCGKSA-N -1 3 366.400 3.861 20 30 FHEDHM N#CCCCCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826381557 609351995 /nfs/dbraw/zinc/35/19/95/609351995.db2.gz QANBYGCQPLSCGV-UHFFFAOYSA-N -1 3 363.377 3.510 20 30 FHEDHM N#CCCCCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826381557 609351997 /nfs/dbraw/zinc/35/19/97/609351997.db2.gz QANBYGCQPLSCGV-UHFFFAOYSA-N -1 3 363.377 3.510 20 30 FHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475444 609369173 /nfs/dbraw/zinc/36/91/73/609369173.db2.gz GHZOSNHTBHZTLH-XFXZXTDPSA-N -1 3 359.364 3.700 20 30 FHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475444 609369176 /nfs/dbraw/zinc/36/91/76/609369176.db2.gz GHZOSNHTBHZTLH-XFXZXTDPSA-N -1 3 359.364 3.700 20 30 FHEDHM C=C(C)CN(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823873558 609380432 /nfs/dbraw/zinc/38/04/32/609380432.db2.gz NDBJQRLKLMZCQR-UHFFFAOYSA-N -1 3 364.409 3.699 20 30 FHEDHM C=C(C)CN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823873558 609380433 /nfs/dbraw/zinc/38/04/33/609380433.db2.gz NDBJQRLKLMZCQR-UHFFFAOYSA-N -1 3 364.409 3.699 20 30 FHEDHM N#Cc1cccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1F ZINC000826386678 609480114 /nfs/dbraw/zinc/48/01/14/609480114.db2.gz ODTDRFQJCJVRJE-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM N#Cc1cccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1F ZINC000826386678 609480117 /nfs/dbraw/zinc/48/01/17/609480117.db2.gz ODTDRFQJCJVRJE-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM C#CCCCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000823841638 609507934 /nfs/dbraw/zinc/50/79/34/609507934.db2.gz RHDMUZNQGDHMEH-GFCCVEGCSA-N -1 3 357.483 3.575 20 30 FHEDHM C#CCCCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000823841638 609507937 /nfs/dbraw/zinc/50/79/37/609507937.db2.gz RHDMUZNQGDHMEH-GFCCVEGCSA-N -1 3 357.483 3.575 20 30 FHEDHM Cc1ccnc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1C#N ZINC000826314201 609585165 /nfs/dbraw/zinc/58/51/65/609585165.db2.gz LFTNUKCYZFWJBU-UHFFFAOYSA-N -1 3 367.416 3.721 20 30 FHEDHM Cc1ccnc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1C#N ZINC000826314201 609585167 /nfs/dbraw/zinc/58/51/67/609585167.db2.gz LFTNUKCYZFWJBU-UHFFFAOYSA-N -1 3 367.416 3.721 20 30 FHEDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1Br ZINC000178801407 937185431 /nfs/dbraw/zinc/18/54/31/937185431.db2.gz KEOLFEWZGVNXCE-UHFFFAOYSA-N -1 3 369.215 3.569 20 30 FHEDHM CCS(=O)(=O)Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1C ZINC000254958187 928542356 /nfs/dbraw/zinc/54/23/56/928542356.db2.gz IMDXNQOGDHVZRH-UHFFFAOYSA-N -1 3 352.843 3.866 20 30 FHEDHM N#CCCn1ncc(C(=O)Nc2cc(F)ccc2[O-])c1-c1ccccc1 ZINC000430272681 929073776 /nfs/dbraw/zinc/07/37/76/929073776.db2.gz YIDUROKDGIJRLO-UHFFFAOYSA-N -1 3 350.353 3.561 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@@H](C)C1CCCCC1 ZINC000176681694 937349518 /nfs/dbraw/zinc/34/95/18/937349518.db2.gz GECJBCXSXFULCU-UKRRQHHQSA-N -1 3 357.498 3.517 20 30 FHEDHM CCC[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000050208019 930637081 /nfs/dbraw/zinc/63/70/81/930637081.db2.gz PQYLDEPJCAKVEY-IBGZPJMESA-N -1 3 352.434 3.881 20 30 FHEDHM [O-]c1c(O)ccc(C=Nc2ccc(N3CCSCC3)c(Cl)c2)c1O ZINC000255292390 931865988 /nfs/dbraw/zinc/86/59/88/931865988.db2.gz PQDDDOGMYPMWQW-UHFFFAOYSA-N -1 3 364.854 3.761 20 30 FHEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126585852 932260370 /nfs/dbraw/zinc/26/03/70/932260370.db2.gz ZSBURPAYUXHOJE-ZDUSSCGKSA-N -1 3 350.346 3.864 20 30 FHEDHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000135367021 933169252 /nfs/dbraw/zinc/16/92/52/933169252.db2.gz NEGGGIPMVODTAH-UHFFFAOYSA-N -1 3 358.316 3.825 20 30 FHEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000550106236 934847985 /nfs/dbraw/zinc/84/79/85/934847985.db2.gz CVKWVSDLKQYUEL-UHFFFAOYSA-N -1 3 371.643 3.775 20 30 FHEDHM O=C1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])CN1c1c(F)cccc1F ZINC000255472479 935097550 /nfs/dbraw/zinc/09/75/50/935097550.db2.gz ACOIXIQMKSRKTM-WOBLHXAESA-N -1 3 350.752 3.548 20 30 FHEDHM O=C(COC(F)F)[N-][C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000582305743 935507234 /nfs/dbraw/zinc/50/72/34/935507234.db2.gz LZBZGRLPIHRIGA-VIFPVBQESA-N -1 3 367.192 3.544 20 30 FHEDHM N#CCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000133137567 935885662 /nfs/dbraw/zinc/88/56/62/935885662.db2.gz AUWIMFSCGYKPDD-HNNXBMFYSA-N -1 3 352.818 3.802 20 30 FHEDHM COc1ccc([C@@H](C/N=C\c2cc(Cl)ccc2[O-])N2CCOCC2)cc1 ZINC000255552907 936158851 /nfs/dbraw/zinc/15/88/51/936158851.db2.gz ARDBODZJPJUCGW-UUMRFZBWSA-N -1 3 374.868 3.547 20 30 FHEDHM CN(C(=O)OC(C)(C)C)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000892482007 939976467 /nfs/dbraw/zinc/97/64/67/939976467.db2.gz APTATLMECDLZIM-INIZCTEOSA-N -1 3 351.406 3.943 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1F ZINC000427344433 945301086 /nfs/dbraw/zinc/30/10/86/945301086.db2.gz ITSYLLKDEGDNFB-UHFFFAOYSA-N -1 3 363.172 3.944 20 30 FHEDHM O=C1NCCCN1c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255909213 941012055 /nfs/dbraw/zinc/01/20/55/941012055.db2.gz ZMYDOGDAMMQXEL-UHFFFAOYSA-N -1 3 374.238 3.825 20 30 FHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(Cn3ccnn3)c2)s1 ZINC000659115466 941086298 /nfs/dbraw/zinc/08/62/98/941086298.db2.gz YULGEDGBWIFRBF-OAHLLOKOSA-N -1 3 365.462 3.570 20 30 FHEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3cccc4n[n-]nc43)cc2)c1 ZINC000187834555 941132137 /nfs/dbraw/zinc/13/21/37/941132137.db2.gz VILHALKHAFZOBY-UHFFFAOYSA-N -1 3 355.357 3.874 20 30 FHEDHM C=C(C)CN(CC)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182933697 941476769 /nfs/dbraw/zinc/47/67/69/941476769.db2.gz JFGHSECKEXDOTO-FQEVSTJZSA-N -1 3 366.461 3.678 20 30 FHEDHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000163707082 941588833 /nfs/dbraw/zinc/58/88/33/941588833.db2.gz YNPYDOGUEKHFQG-UHFFFAOYSA-N -1 3 374.256 3.558 20 30 FHEDHM CCN(Cc1ccc(Cl)cc1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000513576280 942020971 /nfs/dbraw/zinc/02/09/71/942020971.db2.gz JJDQBLFYPOGHBH-UHFFFAOYSA-N -1 3 371.868 3.910 20 30 FHEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c(C)c1 ZINC000501799575 942682508 /nfs/dbraw/zinc/68/25/08/942682508.db2.gz PIHWGMNUPHNGPA-UHFFFAOYSA-N -1 3 358.463 3.996 20 30 FHEDHM CC(C)[C@H]1C[C@](NCc2ccc(C#N)c(F)c2)(C(=O)[O-])c2ccccc21 ZINC000421817213 942843935 /nfs/dbraw/zinc/84/39/35/942843935.db2.gz SJDGWOUPDMKQFC-DYESRHJHSA-N -1 3 352.409 3.910 20 30 FHEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000416531584 942920191 /nfs/dbraw/zinc/92/01/91/942920191.db2.gz PDNFIJJCNIMLQF-UHFFFAOYSA-N -1 3 354.781 3.577 20 30 FHEDHM Cc1cc(C)cc(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1 ZINC000273645959 943002953 /nfs/dbraw/zinc/00/29/53/943002953.db2.gz COWHSZXJQGRTIS-UHFFFAOYSA-N -1 3 362.433 3.652 20 30 FHEDHM CC(C)(C#N)c1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000272889153 943239743 /nfs/dbraw/zinc/23/97/43/943239743.db2.gz XNLFFZWAZHDYTK-UHFFFAOYSA-N -1 3 365.436 3.605 20 30 FHEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000435590631 943507342 /nfs/dbraw/zinc/50/73/42/943507342.db2.gz XJLAMYIMTIXSPA-MLGOLLRUSA-N -1 3 369.870 3.654 20 30 FHEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000435591788 943507989 /nfs/dbraw/zinc/50/79/89/943507989.db2.gz HDTUXGFYYFQRFJ-RISCZKNCSA-N -1 3 364.294 3.561 20 30 FHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123848425 944444441 /nfs/dbraw/zinc/44/44/41/944444441.db2.gz FKLKWXGVDWJPIK-CQSZACIVSA-N -1 3 367.792 3.572 20 30 FHEDHM COc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000436617740 944465115 /nfs/dbraw/zinc/46/51/15/944465115.db2.gz OQRMZSROBFHSAA-AWEZNQCLSA-N -1 3 351.189 3.702 20 30 FHEDHM C=C(C)COc1cccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000506602676 944723602 /nfs/dbraw/zinc/72/36/02/944723602.db2.gz YEWOXPOYYLTQKK-UHFFFAOYSA-N -1 3 364.467 3.869 20 30 FHEDHM C=CCc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc(OC)c1O ZINC000426729385 944738331 /nfs/dbraw/zinc/73/83/31/944738331.db2.gz CKVSRLYSFPDEAM-KRWDZBQOSA-N -1 3 361.825 3.698 20 30 FHEDHM CC(C)c1ccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c([O-])c1 ZINC000436882918 944756285 /nfs/dbraw/zinc/75/62/85/944756285.db2.gz XXRHUTLGCGGIEP-UHFFFAOYSA-N -1 3 360.417 3.707 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823504087 946440263 /nfs/dbraw/zinc/44/02/63/946440263.db2.gz LVCQHLKSWGJRHJ-HJWRWDBZSA-N -1 3 358.810 3.630 20 30 FHEDHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)ccc2O1 ZINC000106006909 946728659 /nfs/dbraw/zinc/72/86/59/946728659.db2.gz PQILKTFSVKOYQF-ZDUSSCGKSA-N -1 3 356.447 3.612 20 30 FHEDHM Cc1csc(C(C#N)=C([O-])c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000444445714 946798551 /nfs/dbraw/zinc/79/85/51/946798551.db2.gz SAOUEDBBNVIVKZ-OAHLLOKOSA-N -1 3 359.410 3.936 20 30 FHEDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824647977 946882887 /nfs/dbraw/zinc/88/28/87/946882887.db2.gz CPJOMEVSZGMNRL-CQSZACIVSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824647977 946882899 /nfs/dbraw/zinc/88/28/99/946882899.db2.gz CPJOMEVSZGMNRL-CQSZACIVSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824647969 946884734 /nfs/dbraw/zinc/88/47/34/946884734.db2.gz CPJOMEVSZGMNRL-AWEZNQCLSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824647969 946884747 /nfs/dbraw/zinc/88/47/47/946884747.db2.gz CPJOMEVSZGMNRL-AWEZNQCLSA-N -1 3 367.416 3.973 20 30 FHEDHM C=C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC)c1ccccc1 ZINC001573300759 947119809 /nfs/dbraw/zinc/11/98/09/947119809.db2.gz NDEIICRETSOLIB-MRXNPFEDSA-N -1 3 362.437 3.597 20 30 FHEDHM C=CC1(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CCCCC1 ZINC001573315112 947242592 /nfs/dbraw/zinc/24/25/92/947242592.db2.gz JRCWGPMOPWTRIM-UHFFFAOYSA-N -1 3 357.483 3.882 20 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O=C(C=Cc1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826402847 948226400 /nfs/dbraw/zinc/22/64/00/948226400.db2.gz DHSUXEBWYLSAPW-VQHVLOKHSA-N -1 3 361.336 3.557 20 30 FHEDHM O=C(C=Cc1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826402847 948226408 /nfs/dbraw/zinc/22/64/08/948226408.db2.gz DHSUXEBWYLSAPW-VQHVLOKHSA-N -1 3 361.336 3.557 20 30 FHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000467426724 948564938 /nfs/dbraw/zinc/56/49/38/948564938.db2.gz HEKMZNGVRIFQCR-UHFFFAOYSA-N -1 3 366.446 3.811 20 30 FHEDHM COCCOc1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000121121245 209354692 /nfs/dbraw/zinc/35/46/92/209354692.db2.gz OXWUQMJVFRFQRZ-AWEZNQCLSA-N -1 3 364.323 3.616 20 30 FHEDHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H]1CCC[C@@H]1C#N ZINC000602977927 568036279 /nfs/dbraw/zinc/03/62/79/568036279.db2.gz IWFRMOHMBMPKBC-YPMHNXCESA-N -1 3 354.435 3.781 20 30 FHEDHM CC(C)c1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c([O-])c1 ZINC000436696562 568347505 /nfs/dbraw/zinc/34/75/05/568347505.db2.gz IUYMFXRDQWCKBK-HXUWFJFHSA-N -1 3 350.418 3.601 20 30 FHEDHM CC[C@H](C#N)Oc1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000736309792 598871160 /nfs/dbraw/zinc/87/11/60/598871160.db2.gz RCVFSECKRVDLOT-CQSZACIVSA-N -1 3 368.828 3.813 20 30 FHEDHM CC[C@H](C#N)Oc1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000736309792 598871161 /nfs/dbraw/zinc/87/11/61/598871161.db2.gz RCVFSECKRVDLOT-CQSZACIVSA-N -1 3 368.828 3.813 20 30 FHEDHM N#C[C@@H](Sc1nc2c(cc1-c1nnn[n-]1)CCCC2)C1CCCCC1 ZINC000737674344 599013351 /nfs/dbraw/zinc/01/33/51/599013351.db2.gz JETIBUXTXBWFHI-MRXNPFEDSA-N -1 3 354.483 3.705 20 30 FHEDHM N#C[C@@H](Sc1nc2c(cc1-c1nn[n-]n1)CCCC2)C1CCCCC1 ZINC000737674344 599013352 /nfs/dbraw/zinc/01/33/52/599013352.db2.gz JETIBUXTXBWFHI-MRXNPFEDSA-N -1 3 354.483 3.705 20 30 FHEDHM C=CCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000819758588 599112797 /nfs/dbraw/zinc/11/27/97/599112797.db2.gz AFSXTJUVRWJUGB-VBKFSLOCSA-N -1 3 358.401 3.644 20 30 FHEDHM C=CCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000819758588 599112800 /nfs/dbraw/zinc/11/28/00/599112800.db2.gz AFSXTJUVRWJUGB-VBKFSLOCSA-N -1 3 358.401 3.644 20 30 FHEDHM COc1cccc2cc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)oc21 ZINC000821877620 599115868 /nfs/dbraw/zinc/11/58/68/599115868.db2.gz NPRLMVMFRGVXFM-RAXLEYEMSA-N -1 3 372.384 3.834 20 30 FHEDHM COc1cccc2cc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)oc21 ZINC000821877620 599115871 /nfs/dbraw/zinc/11/58/71/599115871.db2.gz NPRLMVMFRGVXFM-RAXLEYEMSA-N -1 3 372.384 3.834 20 30 FHEDHM COc1ccc(C=CC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000737080497 599149856 /nfs/dbraw/zinc/14/98/56/599149856.db2.gz BUJNUMKEQCUCCC-ALCCZGGFSA-N -1 3 374.322 3.790 20 30 FHEDHM COc1ccc(C=CC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000737080497 599149859 /nfs/dbraw/zinc/14/98/59/599149859.db2.gz BUJNUMKEQCUCCC-ALCCZGGFSA-N -1 3 374.322 3.790 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000737080532 599150927 /nfs/dbraw/zinc/15/09/27/599150927.db2.gz CJGMHCDCVMXJQS-POHAHGRESA-N -1 3 356.385 3.925 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000737080532 599150928 /nfs/dbraw/zinc/15/09/28/599150928.db2.gz CJGMHCDCVMXJQS-POHAHGRESA-N -1 3 356.385 3.925 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(SC)c(F)c2)cc1-c1nnn[n-]1 ZINC000737082483 599157042 /nfs/dbraw/zinc/15/70/42/599157042.db2.gz VUNFXGNWIYAZIG-ZZXKWVIFSA-N -1 3 370.409 3.632 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(SC)c(F)c2)cc1-c1nn[n-]n1 ZINC000737082483 599157046 /nfs/dbraw/zinc/15/70/46/599157046.db2.gz VUNFXGNWIYAZIG-ZZXKWVIFSA-N -1 3 370.409 3.632 20 30 FHEDHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735922637 599194038 /nfs/dbraw/zinc/19/40/38/599194038.db2.gz GFCKUNSLXATSLR-MJGOQNOKSA-N -1 3 372.432 3.604 20 30 FHEDHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735922637 599194040 /nfs/dbraw/zinc/19/40/40/599194040.db2.gz GFCKUNSLXATSLR-MJGOQNOKSA-N -1 3 372.432 3.604 20 30 FHEDHM C[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193899 599287597 /nfs/dbraw/zinc/28/75/97/599287597.db2.gz VVBCCJGXRBYZCR-GFCCVEGCSA-N -1 3 362.462 3.865 20 30 FHEDHM C[C@@H](Sc1nc2c(cc1C#N)CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193899 599287600 /nfs/dbraw/zinc/28/76/00/599287600.db2.gz VVBCCJGXRBYZCR-GFCCVEGCSA-N -1 3 362.462 3.865 20 30 FHEDHM C=CCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C(C)(C)C)C2 ZINC000735409290 598325035 /nfs/dbraw/zinc/32/50/35/598325035.db2.gz YEEAUUAKCXMXQA-NSHDSACASA-N -1 3 359.499 3.984 20 30 FHEDHM C=CCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)(C)C)C2 ZINC000735409290 598325036 /nfs/dbraw/zinc/32/50/36/598325036.db2.gz YEEAUUAKCXMXQA-NSHDSACASA-N -1 3 359.499 3.984 20 30 FHEDHM Cc1cc(F)ccc1N(CCCC#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737265145 598703783 /nfs/dbraw/zinc/70/37/83/598703783.db2.gz XWKJMNOQZXBUBE-UHFFFAOYSA-N -1 3 350.401 3.625 20 30 FHEDHM Cc1cc(F)ccc1N(CCCC#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737265145 598703786 /nfs/dbraw/zinc/70/37/86/598703786.db2.gz XWKJMNOQZXBUBE-UHFFFAOYSA-N -1 3 350.401 3.625 20 30 FHEDHM c1cnc2cccc(NN=C3CCCc4cc(-c5nnn[n-]5)ccc43)c2c1 ZINC000823756791 599339161 /nfs/dbraw/zinc/33/91/61/599339161.db2.gz HXMDNMZBZVDTHD-UHFFFAOYSA-N -1 3 355.405 3.567 20 30 FHEDHM c1cnc2cccc(NN=C3CCCc4cc(-c5nn[n-]n5)ccc43)c2c1 ZINC000823756791 599339164 /nfs/dbraw/zinc/33/91/64/599339164.db2.gz HXMDNMZBZVDTHD-UHFFFAOYSA-N -1 3 355.405 3.567 20 30 FHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736644417 599368459 /nfs/dbraw/zinc/36/84/59/599368459.db2.gz LDMKZUVNKHJMKR-WEVVVXLNSA-N -1 3 354.797 3.815 20 30 FHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736644417 599368460 /nfs/dbraw/zinc/36/84/60/599368460.db2.gz LDMKZUVNKHJMKR-WEVVVXLNSA-N -1 3 354.797 3.815 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)CCC(C)(C)C ZINC000735420167 599505057 /nfs/dbraw/zinc/50/50/57/599505057.db2.gz MUQLMLBIPSMSHF-OAHLLOKOSA-N -1 3 370.501 3.779 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)CCC(C)(C)C ZINC000735420167 599505059 /nfs/dbraw/zinc/50/50/59/599505059.db2.gz MUQLMLBIPSMSHF-OAHLLOKOSA-N -1 3 370.501 3.779 20 30 FHEDHM C=CC1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000735403086 599568989 /nfs/dbraw/zinc/56/89/89/599568989.db2.gz OVWUQUQFWPIVAE-UHFFFAOYSA-N -1 3 374.448 3.649 20 30 FHEDHM C=CCC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000819734118 607404756 /nfs/dbraw/zinc/40/47/56/607404756.db2.gz IXGSAAIPEGBLBT-JUWJPQTCSA-N -1 3 359.433 3.704 20 30 FHEDHM C=CCC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000819734118 607404758 /nfs/dbraw/zinc/40/47/58/607404758.db2.gz IXGSAAIPEGBLBT-JUWJPQTCSA-N -1 3 359.433 3.704 20 30 FHEDHM C[C@H](CN(Cc1ccccc1)Cc1cc(Cl)ccc1OCC#N)C(=O)[O-] ZINC000736581636 600317836 /nfs/dbraw/zinc/31/78/36/600317836.db2.gz BQPAMWJVFMRWTB-OAHLLOKOSA-N -1 3 372.852 3.965 20 30 FHEDHM CN(Cc1ccccc1OC(F)(F)F)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494426 600563424 /nfs/dbraw/zinc/56/34/24/600563424.db2.gz OQSAGLYZNCCINO-INIZCTEOSA-N -1 3 364.323 3.715 20 30 FHEDHM COc1cc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(C)C ZINC000737869162 600593662 /nfs/dbraw/zinc/59/36/62/600593662.db2.gz ZPGWSSDXVRMYLQ-VBKZILBWSA-N -1 3 368.433 3.831 20 30 FHEDHM CCCOc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737031148 600594592 /nfs/dbraw/zinc/59/45/92/600594592.db2.gz ICFCPOIUSFNQQB-VLIAUNLRSA-N -1 3 368.433 3.832 20 30 FHEDHM N#Cc1ccc([C@H](N[C@H]2CCc3cc(Br)ccc32)C(=O)[O-])cc1 ZINC000739107515 600596140 /nfs/dbraw/zinc/59/61/40/600596140.db2.gz RLLAMPFNZUKCRV-IRXDYDNUSA-N -1 3 371.234 3.724 20 30 FHEDHM N#Cc1ccc([C@H](NCc2ccc(OC3CCCC3)cc2)C(=O)[O-])cc1 ZINC000739108674 600597031 /nfs/dbraw/zinc/59/70/31/600597031.db2.gz WFZZVLLXLKHAIC-FQEVSTJZSA-N -1 3 350.418 3.795 20 30 FHEDHM COCCSc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737824132 600597614 /nfs/dbraw/zinc/59/76/14/600597614.db2.gz PIXGWIPYWFIMBW-AUUYWEPGSA-N -1 3 370.474 3.773 20 30 FHEDHM COc1cccc2cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3F)oc21 ZINC000821877626 607458287 /nfs/dbraw/zinc/45/82/87/607458287.db2.gz NWZLEJCKBYOTPI-BQYQJAHWSA-N -1 3 364.336 3.657 20 30 FHEDHM COc1cccc2cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3F)oc21 ZINC000821877626 607458288 /nfs/dbraw/zinc/45/82/88/607458288.db2.gz NWZLEJCKBYOTPI-BQYQJAHWSA-N -1 3 364.336 3.657 20 30 FHEDHM CC[C@](NCc1ccc(C#N)cc1OC(F)F)(C(=O)[O-])c1ccccc1 ZINC000828989365 601531854 /nfs/dbraw/zinc/53/18/54/601531854.db2.gz YJEOTWWDIHRTQO-LJQANCHMSA-N -1 3 360.360 3.639 20 30 FHEDHM CC(C)C[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000833795744 606021535 /nfs/dbraw/zinc/02/15/35/606021535.db2.gz UZBKJHGKAXXMNN-JQWIXIFHSA-N -1 3 365.842 3.808 20 30 FHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CSc2ccc(Cl)cc21 ZINC000823504619 606304699 /nfs/dbraw/zinc/30/46/99/606304699.db2.gz RZIWLOXUMBYZMK-BAQGIRSFSA-N -1 3 360.851 3.954 20 30 FHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CSc2ccc(Cl)cc21 ZINC000823504619 606304701 /nfs/dbraw/zinc/30/47/01/606304701.db2.gz RZIWLOXUMBYZMK-BAQGIRSFSA-N -1 3 360.851 3.954 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1nc(-c2ccccc2)cs1 ZINC000822923028 606306397 /nfs/dbraw/zinc/30/63/97/606306397.db2.gz MZMMIICXMMGGAW-SREVYHEPSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1nc(-c2ccccc2)cs1 ZINC000822923028 606306399 /nfs/dbraw/zinc/30/63/99/606306399.db2.gz MZMMIICXMMGGAW-SREVYHEPSA-N -1 3 365.443 3.948 20 30 FHEDHM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nnn[n-]4)s3)C2=O)s1 ZINC000822825738 606387578 /nfs/dbraw/zinc/38/75/78/606387578.db2.gz NOKBLSCIKLYRHX-DEFDFUCDSA-N -1 3 365.443 3.691 20 30 FHEDHM N#Cc1cccnc1Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822842579 606433176 /nfs/dbraw/zinc/43/31/76/606433176.db2.gz OTZNTLXWYIYXSJ-UHFFFAOYSA-N -1 3 373.351 3.808 20 30 FHEDHM N#Cc1cccnc1Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822842579 606433177 /nfs/dbraw/zinc/43/31/77/606433177.db2.gz OTZNTLXWYIYXSJ-UHFFFAOYSA-N -1 3 373.351 3.808 20 30 FHEDHM N#Cc1ccc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)s1 ZINC000822825833 606487462 /nfs/dbraw/zinc/48/74/62/606487462.db2.gz PMTVJCZRUDNDCY-UHFFFAOYSA-N -1 3 373.397 3.686 20 30 FHEDHM N#Cc1ccc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)s1 ZINC000822825833 606487463 /nfs/dbraw/zinc/48/74/63/606487463.db2.gz PMTVJCZRUDNDCY-UHFFFAOYSA-N -1 3 373.397 3.686 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822259431 606820995 /nfs/dbraw/zinc/82/09/95/606820995.db2.gz WWDMXPSKDDUOGR-HYXAFXHYSA-N -1 3 362.361 3.734 20 30 FHEDHM C=C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000819730351 606832687 /nfs/dbraw/zinc/83/26/87/606832687.db2.gz WYGPSLKLVSCYHQ-ZDUSSCGKSA-N -1 3 364.409 3.663 20 30 FHEDHM C=C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000819730351 606832689 /nfs/dbraw/zinc/83/26/89/606832689.db2.gz WYGPSLKLVSCYHQ-ZDUSSCGKSA-N -1 3 364.409 3.663 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000822928955 607123095 /nfs/dbraw/zinc/12/30/95/607123095.db2.gz OKJBZSRAYHWBFY-FNORWQNLSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000822928955 607123096 /nfs/dbraw/zinc/12/30/96/607123096.db2.gz OKJBZSRAYHWBFY-FNORWQNLSA-N -1 3 373.185 3.664 20 30 FHEDHM C=CCN(Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819745468 607199727 /nfs/dbraw/zinc/19/97/27/607199727.db2.gz FCPKQIRUTCMHMJ-UHFFFAOYSA-N -1 3 368.828 3.740 20 30 FHEDHM C=CCN(Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819745468 607199728 /nfs/dbraw/zinc/19/97/28/607199728.db2.gz FCPKQIRUTCMHMJ-UHFFFAOYSA-N -1 3 368.828 3.740 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826401298 607842976 /nfs/dbraw/zinc/84/29/76/607842976.db2.gz VAIDCIRMMJHCES-GQCTYLIASA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826401298 607842977 /nfs/dbraw/zinc/84/29/77/607842977.db2.gz VAIDCIRMMJHCES-GQCTYLIASA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1sccc1Br ZINC000826402391 607884480 /nfs/dbraw/zinc/88/44/80/607884480.db2.gz SGMWNZNMQLRMPV-WAYWQWQTSA-N -1 3 361.224 3.587 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1sccc1Br ZINC000826402391 607884481 /nfs/dbraw/zinc/88/44/81/607884481.db2.gz SGMWNZNMQLRMPV-WAYWQWQTSA-N -1 3 361.224 3.587 20 30 FHEDHM COc1cccc2cc(C(=O)C=Cc3ccc(F)c(-c4nnn[n-]4)c3)oc21 ZINC000826218033 607915765 /nfs/dbraw/zinc/91/57/65/607915765.db2.gz LWBSGCGAVUHNMX-VURMDHGXSA-N -1 3 364.336 3.657 20 30 FHEDHM COc1cccc2cc(C(=O)C=Cc3ccc(F)c(-c4nn[n-]n4)c3)oc21 ZINC000826218033 607915766 /nfs/dbraw/zinc/91/57/66/607915766.db2.gz LWBSGCGAVUHNMX-VURMDHGXSA-N -1 3 364.336 3.657 20 30 FHEDHM C=C[C@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000823883188 608005785 /nfs/dbraw/zinc/00/57/85/608005785.db2.gz KMLXXJFJRJEXED-CYBMUJFWSA-N -1 3 367.840 3.843 20 30 FHEDHM C=C[C@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000823883188 608005786 /nfs/dbraw/zinc/00/57/86/608005786.db2.gz KMLXXJFJRJEXED-CYBMUJFWSA-N -1 3 367.840 3.843 20 30 FHEDHM CC(=NNc1ccccc1Br)c1ccc(-c2nnn[n-]2)s1 ZINC000823962428 608094855 /nfs/dbraw/zinc/09/48/55/608094855.db2.gz KJXUEGMKDOQBAI-UHFFFAOYSA-N -1 3 363.244 3.527 20 30 FHEDHM C=CCOc1ccccc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000823932152 608227615 /nfs/dbraw/zinc/22/76/15/608227615.db2.gz QHBRLVIMCDUDDP-UHFFFAOYSA-N -1 3 358.405 3.592 20 30 FHEDHM C=CCOc1ccccc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000823932152 608227617 /nfs/dbraw/zinc/22/76/17/608227617.db2.gz QHBRLVIMCDUDDP-UHFFFAOYSA-N -1 3 358.405 3.592 20 30 FHEDHM Cc1cccc(CCC(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000824407668 608538483 /nfs/dbraw/zinc/53/84/83/608538483.db2.gz YPFXKJLKQFJRIU-UHFFFAOYSA-N -1 3 355.833 3.644 20 30 FHEDHM Cc1cccc(CCC(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000824407668 608538484 /nfs/dbraw/zinc/53/84/84/608538484.db2.gz YPFXKJLKQFJRIU-UHFFFAOYSA-N -1 3 355.833 3.644 20 30 FHEDHM C=CCN(Cc1cnc(C(C)(C)C)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823915460 608633364 /nfs/dbraw/zinc/63/33/64/608633364.db2.gz YMPIIKHYDBMIOG-UHFFFAOYSA-N -1 3 368.510 3.809 20 30 FHEDHM CCCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825338551 608876199 /nfs/dbraw/zinc/87/61/99/608876199.db2.gz CIEQYRHFDILQCD-WMZJFQQLSA-N -1 3 352.369 3.691 20 30 FHEDHM CCCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825338551 608876201 /nfs/dbraw/zinc/87/62/01/608876201.db2.gz CIEQYRHFDILQCD-WMZJFQQLSA-N -1 3 352.369 3.691 20 30 FHEDHM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)ccc1SC ZINC000826176897 608878997 /nfs/dbraw/zinc/87/89/97/608878997.db2.gz JAPZNOBEBCPMHE-QPJJXVBHSA-N -1 3 370.409 3.632 20 30 FHEDHM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)ccc1SC ZINC000826176897 608879000 /nfs/dbraw/zinc/87/90/00/608879000.db2.gz JAPZNOBEBCPMHE-QPJJXVBHSA-N -1 3 370.409 3.632 20 30 FHEDHM COc1ccc2nc(NN=C(C)c3cccc(-c4nn[n-]n4)c3)c(C)cc2c1 ZINC000826213711 609307411 /nfs/dbraw/zinc/30/74/11/609307411.db2.gz JGOWVESDXYKPQY-UHFFFAOYSA-N -1 3 373.420 3.568 20 30 FHEDHM N#Cc1ccccc1SCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826387495 609312105 /nfs/dbraw/zinc/31/21/05/609312105.db2.gz YEMXGFKPCOTBJQ-UHFFFAOYSA-N -1 3 372.251 3.793 20 30 FHEDHM N#Cc1ccccc1SCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826387495 609312107 /nfs/dbraw/zinc/31/21/07/609312107.db2.gz YEMXGFKPCOTBJQ-UHFFFAOYSA-N -1 3 372.251 3.793 20 30 FHEDHM COc1ccc(NN=C(C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1Cl ZINC000826210410 609449121 /nfs/dbraw/zinc/44/91/21/609449121.db2.gz QHYKELCPYUKEAG-UHFFFAOYSA-N -1 3 360.780 3.504 20 30 FHEDHM COc1ccc(NN=C(C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1Cl ZINC000826210410 609449123 /nfs/dbraw/zinc/44/91/23/609449123.db2.gz QHYKELCPYUKEAG-UHFFFAOYSA-N -1 3 360.780 3.504 20 30 FHEDHM N#Cc1cc(F)c(C(=O)[N-]c2c(F)cccc2Br)c(F)c1 ZINC000176419189 937149697 /nfs/dbraw/zinc/14/96/97/937149697.db2.gz FIIPXWXZTQCQLI-UHFFFAOYSA-N -1 3 355.113 3.990 20 30 FHEDHM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000605363023 927656221 /nfs/dbraw/zinc/65/62/21/927656221.db2.gz DIAHSQGZYAHCQX-INIZCTEOSA-N -1 3 355.401 3.856 20 30 FHEDHM O=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000003022221 937224959 /nfs/dbraw/zinc/22/49/59/937224959.db2.gz ACZFAXQJFTVSMP-UHFFFAOYSA-N -1 3 368.817 3.556 20 30 FHEDHM CCOC(=O)c1sc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])c(C#N)c1C ZINC000610220505 928282716 /nfs/dbraw/zinc/28/27/16/928282716.db2.gz FDMPDMZBEBCMEB-UHFFFAOYSA-N -1 3 373.390 3.574 20 30 FHEDHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(Cl)c1 ZINC000547703066 928649231 /nfs/dbraw/zinc/64/92/31/928649231.db2.gz ZRPIZXMKPWXNNU-UHFFFAOYSA-N -1 3 368.817 3.939 20 30 FHEDHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)c(OC(F)F)c1 ZINC000254999511 928829464 /nfs/dbraw/zinc/82/94/64/928829464.db2.gz PRISYGIMMCQHMJ-DAXSKMNVSA-N -1 3 350.317 3.907 20 30 FHEDHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3cccc(C#N)c3)cc2)cc(=O)[n-]1 ZINC000610320943 929919381 /nfs/dbraw/zinc/91/93/81/929919381.db2.gz PFZVDBYRFDRLFR-ZDUSSCGKSA-N -1 3 373.416 3.912 20 30 FHEDHM C=CCCCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000580657938 930975862 /nfs/dbraw/zinc/97/58/62/930975862.db2.gz CTFBLWIJQCMWBD-UHFFFAOYSA-N -1 3 363.255 3.767 20 30 FHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)CS3)s1 ZINC000430599021 932035551 /nfs/dbraw/zinc/03/55/51/932035551.db2.gz PJDLHHJENDYBQY-LLVKDONJSA-N -1 3 371.487 3.975 20 30 FHEDHM N#CC(=C([O-])c1c[nH]nc1-c1c(F)cccc1F)c1nc2ccccc2[nH]1 ZINC000155674142 932600094 /nfs/dbraw/zinc/60/00/94/932600094.db2.gz FRHNFAAHSXWZAY-JTQLQIEISA-N -1 3 363.327 3.721 20 30 FHEDHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000165821004 932773175 /nfs/dbraw/zinc/77/31/75/932773175.db2.gz UUNKHBDOLMTEKK-UHFFFAOYSA-N -1 3 369.215 3.569 20 30 FHEDHM N#Cc1c([N-]C(=O)c2c(F)cc(C(F)(F)F)cc2F)n[nH]c1C1CC1 ZINC000290920965 933373030 /nfs/dbraw/zinc/37/30/30/933373030.db2.gz NVVDWBOPDAUEIY-UHFFFAOYSA-N -1 3 356.254 3.708 20 30 FHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(Cn3cncn3)cc2)s1 ZINC000684676138 934903360 /nfs/dbraw/zinc/90/33/60/934903360.db2.gz VKJDSDYDUYJQMF-HNNXBMFYSA-N -1 3 365.462 3.570 20 30 FHEDHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)NOCCC(F)(F)F ZINC000157946306 935238724 /nfs/dbraw/zinc/23/87/24/935238724.db2.gz JHQQSWYFFRLNHV-SECBINFHSA-N -1 3 366.208 3.751 20 30 FHEDHM N#CCC[C@H](C#N)CNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737681276 945112340 /nfs/dbraw/zinc/11/23/40/945112340.db2.gz BEAPUUHIYPULSN-CQSZACIVSA-N -1 3 359.393 3.514 20 30 FHEDHM N#CCC[C@H](C#N)CNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737681276 945112351 /nfs/dbraw/zinc/11/23/51/945112351.db2.gz BEAPUUHIYPULSN-CQSZACIVSA-N -1 3 359.393 3.514 20 30 FHEDHM N#CCC[C@H](C#N)CNc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737681307 945112832 /nfs/dbraw/zinc/11/28/32/945112832.db2.gz BZHOQMANXRYCBF-CQSZACIVSA-N -1 3 359.393 3.514 20 30 FHEDHM N#CCC[C@H](C#N)CNc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737681307 945112837 /nfs/dbraw/zinc/11/28/37/945112837.db2.gz BZHOQMANXRYCBF-CQSZACIVSA-N -1 3 359.393 3.514 20 30 FHEDHM O=C(COC(F)F)[N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000582436270 935699354 /nfs/dbraw/zinc/69/93/54/935699354.db2.gz GWSIBNRXLXQTQE-SECBINFHSA-N -1 3 351.193 3.664 20 30 FHEDHM O=C1CCc2cc(N=Cc3cc(Br)ccc3[O-])c(F)cc2N1 ZINC000588523227 935760511 /nfs/dbraw/zinc/76/05/11/935760511.db2.gz VLMKXKKYUZVMLC-UHFFFAOYSA-N -1 3 363.186 3.929 20 30 FHEDHM Cc1ccc(F)c(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1 ZINC000277869319 936063108 /nfs/dbraw/zinc/06/31/08/936063108.db2.gz BOJDGUHLDPMWIC-UHFFFAOYSA-N -1 3 352.369 3.558 20 30 FHEDHM N#Cc1ccc(OCc2ccc(C(=O)[N-]c3nnc(C4CC4)s3)o2)cc1 ZINC000102717792 939209254 /nfs/dbraw/zinc/20/92/54/939209254.db2.gz YPRPXDKJFHCBPH-UHFFFAOYSA-N -1 3 366.402 3.711 20 30 FHEDHM O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000066629123 940750041 /nfs/dbraw/zinc/75/00/41/940750041.db2.gz KCHNNWNGHIXRIE-UHFFFAOYSA-N -1 3 368.237 3.943 20 30 FHEDHM O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000066629123 940750044 /nfs/dbraw/zinc/75/00/44/940750044.db2.gz KCHNNWNGHIXRIE-UHFFFAOYSA-N -1 3 368.237 3.943 20 30 FHEDHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1cccc(C#N)c1 ZINC000189759179 941273521 /nfs/dbraw/zinc/27/35/21/941273521.db2.gz OUEBXZCNDQFXGK-CYBMUJFWSA-N -1 3 373.441 3.834 20 30 FHEDHM C=CCCS(=O)(=O)[N-]c1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000179021602 941331283 /nfs/dbraw/zinc/33/12/83/941331283.db2.gz JMWKMPMMECMQAB-UHFFFAOYSA-N -1 3 354.815 3.503 20 30 FHEDHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2)cc(=O)[n-]1 ZINC000505357850 942499725 /nfs/dbraw/zinc/49/97/25/942499725.db2.gz QCBBXWRTBYTGHD-ZDUSSCGKSA-N -1 3 373.416 3.912 20 30 FHEDHM COCc1cc(Cl)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000425116485 942825259 /nfs/dbraw/zinc/82/52/59/942825259.db2.gz UCDXVGLZLOVEGR-UHFFFAOYSA-N -1 3 373.840 3.647 20 30 FHEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(OCc2cccc(OC)c2)c1C ZINC000416961424 943257997 /nfs/dbraw/zinc/25/79/97/943257997.db2.gz SDKLHMUZKDQRRO-KRWDZBQOSA-N -1 3 374.462 3.627 20 30 FHEDHM O=C1[N-][C@H](CC(F)F)C(=O)N1C(CCC(F)(F)F)CCC(F)(F)F ZINC000924991570 943284009 /nfs/dbraw/zinc/28/40/09/943284009.db2.gz KXMALRGJRPWUKC-SSDOTTSWSA-N -1 3 370.240 3.616 20 30 FHEDHM CCCc1c(NCc2cc(=O)[n-]c(C3CC3)n2)cnn1-c1cccc(C#N)c1 ZINC000417020691 943298171 /nfs/dbraw/zinc/29/81/71/943298171.db2.gz FZIPUYRGTGPMNK-UHFFFAOYSA-N -1 3 374.448 3.682 20 30 FHEDHM Cc1cc(C)cc(-c2cc(=NC(=O)C3(c4cccc(C#N)c4)CC3)[nH][n-]2)c1 ZINC000435474921 943434115 /nfs/dbraw/zinc/43/41/15/943434115.db2.gz YSIPLPATPSVKFI-UHFFFAOYSA-N -1 3 356.429 3.657 20 30 FHEDHM CCc1cc(=O)[n-]c(CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)n1 ZINC000425538958 944271051 /nfs/dbraw/zinc/27/10/51/944271051.db2.gz SXIRJRSGAFLFNH-LBPRGKRZSA-N -1 3 364.371 3.678 20 30 FHEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c1Cl ZINC000516344287 944748608 /nfs/dbraw/zinc/74/86/08/944748608.db2.gz JYXWWJBXAFGCPS-UHFFFAOYSA-N -1 3 355.246 3.652 20 30 FHEDHM C=CCc1cc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc(OC)c1O ZINC000426747544 944766462 /nfs/dbraw/zinc/76/64/62/944766462.db2.gz QBLUFOVTWYBQAN-IBGZPJMESA-N -1 3 355.434 3.662 20 30 FHEDHM CCN(Cc1c(F)cccc1F)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000505932309 944935032 /nfs/dbraw/zinc/93/50/32/944935032.db2.gz NDXZNESHLOIHCU-UHFFFAOYSA-N -1 3 373.403 3.535 20 30 FHEDHM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000125098675 945589549 /nfs/dbraw/zinc/58/95/49/945589549.db2.gz MLVBLVBTZPSYFL-CYBMUJFWSA-N -1 3 353.765 3.751 20 30 FHEDHM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)co2)cc1 ZINC000822213962 945998459 /nfs/dbraw/zinc/99/84/59/945998459.db2.gz JDPULKGPALIIJC-ZHACJKMWSA-N -1 3 357.373 3.726 20 30 FHEDHM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)co2)cc1 ZINC000822213962 945998467 /nfs/dbraw/zinc/99/84/67/945998467.db2.gz JDPULKGPALIIJC-ZHACJKMWSA-N -1 3 357.373 3.726 20 30 FHEDHM C#CCC(C)(C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@H](C)CC2 ZINC001573280021 946652533 /nfs/dbraw/zinc/65/25/33/946652533.db2.gz MPLPFPJMGMZIJM-GHMZBOCLSA-N -1 3 357.483 3.602 20 30 FHEDHM C#CCC(C)(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@H](C)CC2 ZINC001573280021 946652539 /nfs/dbraw/zinc/65/25/39/946652539.db2.gz MPLPFPJMGMZIJM-GHMZBOCLSA-N -1 3 357.483 3.602 20 30 FHEDHM N#Cc1cnccc1[N-]C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000609786189 946952450 /nfs/dbraw/zinc/95/24/50/946952450.db2.gz JFGGZEPUMFGZIF-UHFFFAOYSA-N -1 3 372.413 3.515 20 30 FHEDHM C=C1CCC(CNC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)CC1 ZINC001573296418 947045936 /nfs/dbraw/zinc/04/59/36/947045936.db2.gz PTOYRMDOWGWEAB-UHFFFAOYSA-N -1 3 352.442 3.612 20 30 FHEDHM C=C1CCC(CNC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)CC1 ZINC001573296418 947045942 /nfs/dbraw/zinc/04/59/42/947045942.db2.gz PTOYRMDOWGWEAB-UHFFFAOYSA-N -1 3 352.442 3.612 20 30 FHEDHM CCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825341409 947158631 /nfs/dbraw/zinc/15/86/31/947158631.db2.gz CIVSWSXVXUJFAM-RMKNXTFCSA-N -1 3 352.369 3.691 20 30 FHEDHM CCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825341409 947158638 /nfs/dbraw/zinc/15/86/38/947158638.db2.gz CIVSWSXVXUJFAM-RMKNXTFCSA-N -1 3 352.369 3.691 20 30 FHEDHM CCc1cccc2c(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)c[nH]c21 ZINC000825721940 947298253 /nfs/dbraw/zinc/29/82/53/947298253.db2.gz BZRIFNFVOHHFSR-VQHVLOKHSA-N -1 3 361.380 3.946 20 30 FHEDHM CCc1cccc2c(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)c[nH]c21 ZINC000825721940 947298261 /nfs/dbraw/zinc/29/82/61/947298261.db2.gz BZRIFNFVOHHFSR-VQHVLOKHSA-N -1 3 361.380 3.946 20 30 FHEDHM C=CCC(F)(F)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@@H](C)CC2 ZINC001573325392 947357368 /nfs/dbraw/zinc/35/73/68/947357368.db2.gz BAWNAZFFDXIYAG-DTWKUNHWSA-N -1 3 367.425 3.764 20 30 FHEDHM C=CCC(F)(F)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@@H](C)CC2 ZINC001573325392 947357381 /nfs/dbraw/zinc/35/73/81/947357381.db2.gz BAWNAZFFDXIYAG-DTWKUNHWSA-N -1 3 367.425 3.764 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCCC2)c(F)c1 ZINC000523570818 947380977 /nfs/dbraw/zinc/38/09/77/947380977.db2.gz CJZZIILXZWLTKR-UHFFFAOYSA-N -1 3 362.401 3.584 20 30 FHEDHM COc1c(C)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1C ZINC000826167025 947526139 /nfs/dbraw/zinc/52/61/39/947526139.db2.gz MFZZFYGLUYCPTO-QPJJXVBHSA-N -1 3 352.369 3.527 20 30 FHEDHM COc1c(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1C ZINC000826167025 947526154 /nfs/dbraw/zinc/52/61/54/947526154.db2.gz MFZZFYGLUYCPTO-QPJJXVBHSA-N -1 3 352.369 3.527 20 30 FHEDHM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826273561 947792375 /nfs/dbraw/zinc/79/23/75/947792375.db2.gz JKMDLCBMSYHONZ-VQHVLOKHSA-N -1 3 374.379 3.600 20 30 FHEDHM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826273561 947792386 /nfs/dbraw/zinc/79/23/86/947792386.db2.gz JKMDLCBMSYHONZ-VQHVLOKHSA-N -1 3 374.379 3.600 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400589 948216742 /nfs/dbraw/zinc/21/67/42/948216742.db2.gz BYGMGJPPHORCGN-TWGQIWQCSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400589 948216747 /nfs/dbraw/zinc/21/67/47/948216747.db2.gz BYGMGJPPHORCGN-TWGQIWQCSA-N -1 3 371.375 3.964 20 30 FHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cscc3C#N)c2)n1 ZINC000432404392 948345579 /nfs/dbraw/zinc/34/55/79/948345579.db2.gz DXSBYMMCKZQRIC-UHFFFAOYSA-N -1 3 350.403 3.597 20 30 FHEDHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(C#N)cc1 ZINC000127337198 209365901 /nfs/dbraw/zinc/36/59/01/209365901.db2.gz MUBNJVZRKNYYNR-QMMMGPOBSA-N -1 3 361.275 3.966 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738289626 598862220 /nfs/dbraw/zinc/86/22/20/598862220.db2.gz KGAPZOSZJDKNJP-UKTHLTGXSA-N -1 3 352.781 3.569 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738289626 598862222 /nfs/dbraw/zinc/86/22/22/598862222.db2.gz KGAPZOSZJDKNJP-UKTHLTGXSA-N -1 3 352.781 3.569 20 30 FHEDHM CC[C@@H](C#N)Oc1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000736309791 598871003 /nfs/dbraw/zinc/87/10/03/598871003.db2.gz RCVFSECKRVDLOT-AWEZNQCLSA-N -1 3 368.828 3.813 20 30 FHEDHM CC[C@@H](C#N)Oc1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000736309791 598871005 /nfs/dbraw/zinc/87/10/05/598871005.db2.gz RCVFSECKRVDLOT-AWEZNQCLSA-N -1 3 368.828 3.813 20 30 FHEDHM C=C(Br)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735398665 598900824 /nfs/dbraw/zinc/90/08/24/598900824.db2.gz NSEZXPHPYXPBST-UHFFFAOYSA-N -1 3 374.267 3.929 20 30 FHEDHM C=C(Br)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735398665 598900825 /nfs/dbraw/zinc/90/08/25/598900825.db2.gz NSEZXPHPYXPBST-UHFFFAOYSA-N -1 3 374.267 3.929 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)CC1CCCC1 ZINC000735418969 598903979 /nfs/dbraw/zinc/90/39/79/598903979.db2.gz NDBAGZPBRKTJPJ-GOSISDBHSA-N -1 3 367.497 3.988 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC)CC1CCCC1 ZINC000735418969 598903981 /nfs/dbraw/zinc/90/39/81/598903981.db2.gz NDBAGZPBRKTJPJ-GOSISDBHSA-N -1 3 367.497 3.988 20 30 FHEDHM Cc1ccc(-c2ncc(C=NNc3cccc(-c4nnn[n-]4)c3)s2)cc1 ZINC000737288228 598978260 /nfs/dbraw/zinc/97/82/60/598978260.db2.gz MLYYVZCMZCYODP-UHFFFAOYSA-N -1 3 361.434 3.745 20 30 FHEDHM Cc1ccc(-c2ncc(C=NNc3cccc(-c4nn[n-]n4)c3)s2)cc1 ZINC000737288228 598978262 /nfs/dbraw/zinc/97/82/62/598978262.db2.gz MLYYVZCMZCYODP-UHFFFAOYSA-N -1 3 361.434 3.745 20 30 FHEDHM COc1ccc(C=C2C(=O)c3ccsc3S[C@H]2C)cc1-c1nnn[n-]1 ZINC000821786147 599110395 /nfs/dbraw/zinc/11/03/95/599110395.db2.gz AQJQYWSJDDJJLP-PPLKPFPSSA-N -1 3 370.459 3.697 20 30 FHEDHM COc1ccc(C=C2C(=O)c3ccsc3S[C@H]2C)cc1-c1nn[n-]n1 ZINC000821786147 599110397 /nfs/dbraw/zinc/11/03/97/599110397.db2.gz AQJQYWSJDDJJLP-PPLKPFPSSA-N -1 3 370.459 3.697 20 30 FHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccccc1OC(F)F ZINC000823503995 599114251 /nfs/dbraw/zinc/11/42/51/599114251.db2.gz LCILAWASPWMPQQ-RAXLEYEMSA-N -1 3 368.343 3.681 20 30 FHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccccc1OC(F)F ZINC000823503995 599114253 /nfs/dbraw/zinc/11/42/53/599114253.db2.gz LCILAWASPWMPQQ-RAXLEYEMSA-N -1 3 368.343 3.681 20 30 FHEDHM O=C1C(=Cc2cccc(-c3nnn[n-]3)c2)Oc2cc(Cl)cc(Cl)c21 ZINC000823504807 599117451 /nfs/dbraw/zinc/11/74/51/599117451.db2.gz UVUYPEJDAGHGIF-ACAGNQJTSA-N -1 3 359.172 3.790 20 30 FHEDHM O=C1C(=Cc2cccc(-c3nn[n-]n3)c2)Oc2cc(Cl)cc(Cl)c21 ZINC000823504807 599117453 /nfs/dbraw/zinc/11/74/53/599117453.db2.gz UVUYPEJDAGHGIF-ACAGNQJTSA-N -1 3 359.172 3.790 20 30 FHEDHM COc1ccc(C=NN[C@H](C)c2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000737082062 599127955 /nfs/dbraw/zinc/12/79/55/599127955.db2.gz TUZQHJFMEIWTCY-CQSZACIVSA-N -1 3 364.453 3.683 20 30 FHEDHM COc1ccc(C=NN[C@H](C)c2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000737082062 599127959 /nfs/dbraw/zinc/12/79/59/599127959.db2.gz TUZQHJFMEIWTCY-CQSZACIVSA-N -1 3 364.453 3.683 20 30 FHEDHM Cc1c2c(nc(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c1C#N)CCC2 ZINC000737201295 599288307 /nfs/dbraw/zinc/28/83/07/599288307.db2.gz CAMZHQUDBOOVEB-LBPRGKRZSA-N -1 3 362.462 3.784 20 30 FHEDHM Cc1c2c(nc(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c1C#N)CCC2 ZINC000737201295 599288309 /nfs/dbraw/zinc/28/83/09/599288309.db2.gz CAMZHQUDBOOVEB-LBPRGKRZSA-N -1 3 362.462 3.784 20 30 FHEDHM CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735450909 598315460 /nfs/dbraw/zinc/31/54/60/598315460.db2.gz JOJJBBZQOPIMAS-UHFFFAOYSA-N -1 3 371.326 3.593 20 30 FHEDHM CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735450909 598315462 /nfs/dbraw/zinc/31/54/62/598315462.db2.gz JOJJBBZQOPIMAS-UHFFFAOYSA-N -1 3 371.326 3.593 20 30 FHEDHM C=CCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000735408547 598327958 /nfs/dbraw/zinc/32/79/58/598327958.db2.gz NXRVYDYEWAHMTO-UHFFFAOYSA-N -1 3 365.393 3.572 20 30 FHEDHM C=CCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000735408547 598327959 /nfs/dbraw/zinc/32/79/59/598327959.db2.gz NXRVYDYEWAHMTO-UHFFFAOYSA-N -1 3 365.393 3.572 20 30 FHEDHM CCC=C(C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736412237 598331795 /nfs/dbraw/zinc/33/17/95/598331795.db2.gz RUFDTFUZNAVBSK-BJTBTHHMSA-N -1 3 364.434 3.523 20 30 FHEDHM CCC=C(C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736412237 598331797 /nfs/dbraw/zinc/33/17/97/598331797.db2.gz RUFDTFUZNAVBSK-BJTBTHHMSA-N -1 3 364.434 3.523 20 30 FHEDHM O=C(C=Cc1nc(-c2ccccc2)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000737808404 598377589 /nfs/dbraw/zinc/37/75/89/598377589.db2.gz SDIUQUSOZNLQQR-MDZDMXLPSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1nc(-c2ccccc2)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000737808404 598377590 /nfs/dbraw/zinc/37/75/90/598377590.db2.gz SDIUQUSOZNLQQR-MDZDMXLPSA-N -1 3 359.414 3.886 20 30 FHEDHM CSc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000737191258 598378472 /nfs/dbraw/zinc/37/84/72/598378472.db2.gz BFMXJGAJXWYUSJ-JXMROGBWSA-N -1 3 365.462 3.541 20 30 FHEDHM CSc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000737191258 598378473 /nfs/dbraw/zinc/37/84/73/598378473.db2.gz BFMXJGAJXWYUSJ-JXMROGBWSA-N -1 3 365.462 3.541 20 30 FHEDHM C=CCOc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000735436596 598437370 /nfs/dbraw/zinc/43/73/70/598437370.db2.gz ONEANFHDRZUQOP-UHFFFAOYSA-N -1 3 354.801 3.531 20 30 FHEDHM C=C(C)CNC(=S)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735402280 598551037 /nfs/dbraw/zinc/55/10/37/598551037.db2.gz PJTYJRNLGQZVQR-UHFFFAOYSA-N -1 3 366.450 3.522 20 30 FHEDHM C=C(C)CNC(=S)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735402280 598551038 /nfs/dbraw/zinc/55/10/38/598551038.db2.gz PJTYJRNLGQZVQR-UHFFFAOYSA-N -1 3 366.450 3.522 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735973258 598554763 /nfs/dbraw/zinc/55/47/63/598554763.db2.gz DPTFAKGVGIOHGS-LBPRGKRZSA-N -1 3 364.434 3.513 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735973258 598554764 /nfs/dbraw/zinc/55/47/64/598554764.db2.gz DPTFAKGVGIOHGS-LBPRGKRZSA-N -1 3 364.434 3.513 20 30 FHEDHM FC(F)Oc1cccc(Cl)c1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000737639621 598789081 /nfs/dbraw/zinc/78/90/81/598789081.db2.gz UFYCCTQADRIPQV-UHFFFAOYSA-N -1 3 364.743 3.568 20 30 FHEDHM FC(F)Oc1cccc(Cl)c1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000737639621 598789083 /nfs/dbraw/zinc/78/90/83/598789083.db2.gz UFYCCTQADRIPQV-UHFFFAOYSA-N -1 3 364.743 3.568 20 30 FHEDHM C[C@@H](SCCOc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191050 599326177 /nfs/dbraw/zinc/32/61/77/599326177.db2.gz VNGHSSQJGBWWPH-CYBMUJFWSA-N -1 3 351.435 3.612 20 30 FHEDHM C[C@@H](SCCOc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191050 599326180 /nfs/dbraw/zinc/32/61/80/599326180.db2.gz VNGHSSQJGBWWPH-CYBMUJFWSA-N -1 3 351.435 3.612 20 30 FHEDHM CC[C@@H](C#N)Oc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000736308831 599438361 /nfs/dbraw/zinc/43/83/61/599438361.db2.gz INKBPBDPZIXKKA-AWEZNQCLSA-N -1 3 368.828 3.813 20 30 FHEDHM CC[C@@H](C#N)Oc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000736308831 599438368 /nfs/dbraw/zinc/43/83/68/599438368.db2.gz INKBPBDPZIXKKA-AWEZNQCLSA-N -1 3 368.828 3.813 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000822923789 607458990 /nfs/dbraw/zinc/45/89/90/607458990.db2.gz UOEOTNPZZHOQFZ-VMPITWQZSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000822923789 607458991 /nfs/dbraw/zinc/45/89/91/607458991.db2.gz UOEOTNPZZHOQFZ-VMPITWQZSA-N -1 3 362.286 3.921 20 30 FHEDHM CCCOc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000829528228 601300954 /nfs/dbraw/zinc/30/09/54/601300954.db2.gz SCLMIKAWPPGZHS-XOBRGWDASA-N -1 3 368.433 3.832 20 30 FHEDHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000826054840 601653246 /nfs/dbraw/zinc/65/32/46/601653246.db2.gz RBKYWLBURHHWJV-FZKQIMNGSA-N -1 3 358.825 3.794 20 30 FHEDHM CCC[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000739306620 602670374 /nfs/dbraw/zinc/67/03/74/602670374.db2.gz YKJASWQHKDYSFV-NXEZZACHSA-N -1 3 351.815 3.562 20 30 FHEDHM C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823647819 604226148 /nfs/dbraw/zinc/22/61/48/604226148.db2.gz OGNXFLRASVHGNQ-DXCKQFNASA-N -1 3 363.373 3.649 20 30 FHEDHM CC(C)(C#N)c1ccccc1CN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000826081395 604672167 /nfs/dbraw/zinc/67/21/67/604672167.db2.gz REUAMGVDKMESDH-UHFFFAOYSA-N -1 3 358.388 3.853 20 30 FHEDHM C=CCC[C@@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000833373697 605144465 /nfs/dbraw/zinc/14/44/65/605144465.db2.gz YQRMONMAGLCFLK-GOSISDBHSA-N -1 3 352.434 3.645 20 30 FHEDHM C=CCCCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819734172 606278313 /nfs/dbraw/zinc/27/83/13/606278313.db2.gz JLAODHGBQJSBJQ-UHFFFAOYSA-N -1 3 353.451 3.568 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(C(F)(F)F)c1 ZINC000822922805 606302973 /nfs/dbraw/zinc/30/29/73/606302973.db2.gz JXWHXUXPNZUEGN-PLNGDYQASA-N -1 3 350.325 3.843 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000822922805 606302974 /nfs/dbraw/zinc/30/29/74/606302974.db2.gz JXWHXUXPNZUEGN-PLNGDYQASA-N -1 3 350.325 3.843 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1sccc1Br ZINC000822921929 606306211 /nfs/dbraw/zinc/30/62/11/606306211.db2.gz ALLMUHFGNAQTEI-UPHRSURJSA-N -1 3 367.253 3.648 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1sccc1Br ZINC000822921929 606306214 /nfs/dbraw/zinc/30/62/14/606306214.db2.gz ALLMUHFGNAQTEI-UPHRSURJSA-N -1 3 367.253 3.648 20 30 FHEDHM Clc1ccc2c(c1)nccc2NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822581113 606368196 /nfs/dbraw/zinc/36/81/96/606368196.db2.gz BEWSBIDEMZIPFS-UHFFFAOYSA-N -1 3 355.814 3.576 20 30 FHEDHM COc1ccc2cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)ccc2c1 ZINC000821854524 606386666 /nfs/dbraw/zinc/38/66/66/606386666.db2.gz LRNJWUCPXLVVIK-SOFGYWHQSA-N -1 3 362.414 3.986 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccccc1C(F)(F)F ZINC000822929099 606387834 /nfs/dbraw/zinc/38/78/34/606387834.db2.gz POMBTHRNQMVUKT-FNORWQNLSA-N -1 3 350.325 3.843 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCCCC2)cc1 ZINC000822923009 606389708 /nfs/dbraw/zinc/38/97/08/606389708.db2.gz MMPRTIMTGDSCTH-CSKARUKUSA-N -1 3 365.462 3.815 20 30 FHEDHM CSc1ccc2c(c1)CCC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000821983300 606390489 /nfs/dbraw/zinc/39/04/89/606390489.db2.gz FXUPJARNYSYALL-PKNBQFBNSA-N -1 3 354.460 3.863 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822423835 606390818 /nfs/dbraw/zinc/39/08/18/606390818.db2.gz POLZUVGMBMMNDY-FNORWQNLSA-N -1 3 359.480 3.887 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819857759 606458111 /nfs/dbraw/zinc/45/81/11/606458111.db2.gz UVYBTYRGBNLODI-GFCCVEGCSA-N -1 3 368.441 3.870 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819857759 606458112 /nfs/dbraw/zinc/45/81/12/606458112.db2.gz UVYBTYRGBNLODI-GFCCVEGCSA-N -1 3 368.441 3.870 20 30 FHEDHM N#Cc1cccc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822837323 606599447 /nfs/dbraw/zinc/59/94/47/606599447.db2.gz JYUILVGAXFOOTN-UHFFFAOYSA-N -1 3 373.388 3.773 20 30 FHEDHM N#Cc1cccc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822837323 606599449 /nfs/dbraw/zinc/59/94/49/606599449.db2.gz JYUILVGAXFOOTN-UHFFFAOYSA-N -1 3 373.388 3.773 20 30 FHEDHM CC1CC(C#N)(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000820642932 606905320 /nfs/dbraw/zinc/90/53/20/606905320.db2.gz MZWWKHMZCDQGPX-UHFFFAOYSA-N -1 3 374.404 3.537 20 30 FHEDHM CC1CC(C#N)(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)C1 ZINC000820642932 606905321 /nfs/dbraw/zinc/90/53/21/606905321.db2.gz MZWWKHMZCDQGPX-UHFFFAOYSA-N -1 3 374.404 3.537 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000822927833 607122953 /nfs/dbraw/zinc/12/29/53/607122953.db2.gz BJBUGXSYWHRVIO-VURMDHGXSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000822927833 607122955 /nfs/dbraw/zinc/12/29/55/607122955.db2.gz BJBUGXSYWHRVIO-VURMDHGXSA-N -1 3 373.185 3.664 20 30 FHEDHM C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820455712 607173338 /nfs/dbraw/zinc/17/33/38/607173338.db2.gz MJZJQJIFBDTCNY-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820455712 607173339 /nfs/dbraw/zinc/17/33/39/607173339.db2.gz MJZJQJIFBDTCNY-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820455713 607173466 /nfs/dbraw/zinc/17/34/66/607173466.db2.gz MJZJQJIFBDTCNY-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820455713 607173467 /nfs/dbraw/zinc/17/34/67/607173467.db2.gz MJZJQJIFBDTCNY-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM Cc1c(NC(=S)Nc2ccc(C#N)c(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822116707 607252244 /nfs/dbraw/zinc/25/22/44/607252244.db2.gz WOCCATRZNIWBHA-UHFFFAOYSA-N -1 3 369.841 3.509 20 30 FHEDHM Cc1c(NC(=S)Nc2ccc(C#N)c(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822116707 607252245 /nfs/dbraw/zinc/25/22/45/607252245.db2.gz WOCCATRZNIWBHA-UHFFFAOYSA-N -1 3 369.841 3.509 20 30 FHEDHM COc1cc(Cl)c(C=NNc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826180183 607816250 /nfs/dbraw/zinc/81/62/50/607816250.db2.gz VWWBVHHPBHLOLF-UHFFFAOYSA-N -1 3 363.208 3.628 20 30 FHEDHM COc1cc(Cl)c(C=NNc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826180183 607816251 /nfs/dbraw/zinc/81/62/51/607816251.db2.gz VWWBVHHPBHLOLF-UHFFFAOYSA-N -1 3 363.208 3.628 20 30 FHEDHM COc1ccc2cc(C(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc2c1 ZINC000826212886 607883510 /nfs/dbraw/zinc/88/35/10/607883510.db2.gz DMSXRZWXQQALSX-PKNBQFBNSA-N -1 3 356.385 3.925 20 30 FHEDHM COc1ccc2cc(C(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc2c1 ZINC000826212886 607883511 /nfs/dbraw/zinc/88/35/11/607883511.db2.gz DMSXRZWXQQALSX-PKNBQFBNSA-N -1 3 356.385 3.925 20 30 FHEDHM O=C1c2c3cc(F)ccc3[nH]c2CCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475815 607884504 /nfs/dbraw/zinc/88/45/04/607884504.db2.gz RQSYQCGYMUVKET-FMIVXFBMSA-N -1 3 359.364 3.700 20 30 FHEDHM O=C1c2c3cc(F)ccc3[nH]c2CCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475815 607884505 /nfs/dbraw/zinc/88/45/05/607884505.db2.gz RQSYQCGYMUVKET-FMIVXFBMSA-N -1 3 359.364 3.700 20 30 FHEDHM O=C1c2c3cc(F)ccc3[nH]c2CCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475816 607884514 /nfs/dbraw/zinc/88/45/14/607884514.db2.gz RQSYQCGYMUVKET-XFXZXTDPSA-N -1 3 359.364 3.700 20 30 FHEDHM O=C1c2c3cc(F)ccc3[nH]c2CCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475816 607884515 /nfs/dbraw/zinc/88/45/15/607884515.db2.gz RQSYQCGYMUVKET-XFXZXTDPSA-N -1 3 359.364 3.700 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000826402178 607884736 /nfs/dbraw/zinc/88/47/36/607884736.db2.gz OIQMMGWLNNIGOM-CMDGGOBGSA-N -1 3 360.295 3.661 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(OC(F)(F)F)c1 ZINC000826402178 607884737 /nfs/dbraw/zinc/88/47/37/607884737.db2.gz OIQMMGWLNNIGOM-CMDGGOBGSA-N -1 3 360.295 3.661 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826395679 607915944 /nfs/dbraw/zinc/91/59/44/607915944.db2.gz ORJHHBSLKSFIRB-SNAWJCMRSA-N -1 3 360.204 3.652 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826395679 607915945 /nfs/dbraw/zinc/91/59/45/607915945.db2.gz ORJHHBSLKSFIRB-SNAWJCMRSA-N -1 3 360.204 3.652 20 30 FHEDHM COc1ccc(CON=Cc2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000826206987 607972183 /nfs/dbraw/zinc/97/21/83/607972183.db2.gz UYOUJBBKFFXWSB-UHFFFAOYSA-N -1 3 351.410 3.549 20 30 FHEDHM COc1ccc(CON=Cc2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000826206987 607972184 /nfs/dbraw/zinc/97/21/84/607972184.db2.gz UYOUJBBKFFXWSB-UHFFFAOYSA-N -1 3 351.410 3.549 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C(CCC)CCC ZINC000823909960 608156817 /nfs/dbraw/zinc/15/68/17/608156817.db2.gz UJWWJMOZQDYAFW-UHFFFAOYSA-N -1 3 353.470 3.908 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C(CCC)CCC ZINC000823909960 608156818 /nfs/dbraw/zinc/15/68/18/608156818.db2.gz UJWWJMOZQDYAFW-UHFFFAOYSA-N -1 3 353.470 3.908 20 30 FHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2ccccc2c1 ZINC000823958789 608539936 /nfs/dbraw/zinc/53/99/36/608539936.db2.gz WUWQTHRWXULTAV-UHFFFAOYSA-N -1 3 363.812 3.904 20 30 FHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2ccccc2c1 ZINC000823958789 608539937 /nfs/dbraw/zinc/53/99/37/608539937.db2.gz WUWQTHRWXULTAV-UHFFFAOYSA-N -1 3 363.812 3.904 20 30 FHEDHM C[C@H]1C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@@H]1c1ccccc1 ZINC000824857471 608540191 /nfs/dbraw/zinc/54/01/91/608540191.db2.gz CJTBPPOXBRUREA-MFKMUULPSA-N -1 3 353.817 3.507 20 30 FHEDHM C[C@H]1C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@@H]1c1ccccc1 ZINC000824857471 608540192 /nfs/dbraw/zinc/54/01/92/608540192.db2.gz CJTBPPOXBRUREA-MFKMUULPSA-N -1 3 353.817 3.507 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(OC(F)F)c1 ZINC000826400946 608877980 /nfs/dbraw/zinc/87/79/80/608877980.db2.gz LRAZKHSRQZNPST-ALCCZGGFSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(OC(F)F)c1 ZINC000826400946 608877984 /nfs/dbraw/zinc/87/79/84/608877984.db2.gz LRAZKHSRQZNPST-ALCCZGGFSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401855 609134041 /nfs/dbraw/zinc/13/40/41/609134041.db2.gz IDZCAZOWJJIDIP-VURMDHGXSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401855 609134042 /nfs/dbraw/zinc/13/40/42/609134042.db2.gz IDZCAZOWJJIDIP-VURMDHGXSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400742 609134401 /nfs/dbraw/zinc/13/44/01/609134401.db2.gz GXRVPYNIHUCFKB-DAXSKMNVSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400742 609134402 /nfs/dbraw/zinc/13/44/02/609134402.db2.gz GXRVPYNIHUCFKB-DAXSKMNVSA-N -1 3 362.286 3.921 20 30 FHEDHM CC(C)Oc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000824334463 609269869 /nfs/dbraw/zinc/26/98/69/609269869.db2.gz UZJSOCWJKGWRDW-CSKARUKUSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000824334463 609269870 /nfs/dbraw/zinc/26/98/70/609269870.db2.gz UZJSOCWJKGWRDW-CSKARUKUSA-N -1 3 352.369 3.689 20 30 FHEDHM O=C(C=Cc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400645 609272434 /nfs/dbraw/zinc/27/24/34/609272434.db2.gz DIWJEJYCKSSKBJ-QPJJXVBHSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400645 609272435 /nfs/dbraw/zinc/27/24/35/609272435.db2.gz DIWJEJYCKSSKBJ-QPJJXVBHSA-N -1 3 373.185 3.664 20 30 FHEDHM CO[C@@H](C)c1nc(C)c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)s1 ZINC000429607999 945069370 /nfs/dbraw/zinc/06/93/70/945069370.db2.gz WNMOOGNVBKOMSX-NWDGAFQWSA-N -1 3 354.435 3.834 20 30 FHEDHM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000605363024 927656183 /nfs/dbraw/zinc/65/61/83/927656183.db2.gz DIAHSQGZYAHCQX-MRXNPFEDSA-N -1 3 355.401 3.856 20 30 FHEDHM COc1cc(/C=C2\COc3c(F)cc(F)cc3C2=O)cc(Cl)c1[O-] ZINC000255127375 929674205 /nfs/dbraw/zinc/67/42/05/929674205.db2.gz WLSWUWTWCCBRTM-XNWCZRBMSA-N -1 3 352.720 3.991 20 30 FHEDHM N#CC(=C([O-])c1cnn(-c2ccccc2Cl)c1)c1nc2ccccc2[nH]1 ZINC000050205024 930608948 /nfs/dbraw/zinc/60/89/48/930608948.db2.gz PKOYTGROAIPEKZ-CYBMUJFWSA-N -1 3 361.792 3.892 20 30 FHEDHM COc1cc(/C=C\C(=O)c2cnn(-c3ccccn3)c2C)cc(Cl)c1[O-] ZINC000255213355 930845394 /nfs/dbraw/zinc/84/53/94/930845394.db2.gz OAWVDQSNDJJLQE-SREVYHEPSA-N -1 3 369.808 3.839 20 30 FHEDHM COc1cc(C(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)cc1[O-] ZINC000255336081 932351797 /nfs/dbraw/zinc/35/17/97/932351797.db2.gz YYAFUMIKXAAIPL-XQRVVYSFSA-N -1 3 363.753 3.867 20 30 FHEDHM N#CC(=C([O-])c1cccc2c1CC(=O)CC2)c1cc(C(F)(F)F)ccn1 ZINC000581977729 933211682 /nfs/dbraw/zinc/21/16/82/933211682.db2.gz UGIVSGGXMJDHEU-MRXNPFEDSA-N -1 3 358.319 3.648 20 30 FHEDHM CC(=Cc1c(Cl)cccc1Cl)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000588473254 934496182 /nfs/dbraw/zinc/49/61/82/934496182.db2.gz TXAIWYSDPFTINV-VPUINMBXSA-N -1 3 362.216 3.722 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000071800403 934864822 /nfs/dbraw/zinc/86/48/22/934864822.db2.gz WGPUQSAREPPUMO-UHFFFAOYSA-N -1 3 374.425 3.698 20 30 FHEDHM O=C1C[C@H](/N=C\c2cc(Cl)ccc2[O-])CN1c1c(F)cccc1F ZINC000255472478 935097827 /nfs/dbraw/zinc/09/78/27/935097827.db2.gz ACOIXIQMKSRKTM-ROXQOTQNSA-N -1 3 350.752 3.548 20 30 FHEDHM N#Cc1ccc(Oc2cccc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c2)cc1 ZINC000473855011 945096548 /nfs/dbraw/zinc/09/65/48/945096548.db2.gz HVUNRDKSKPWDQJ-LJQANCHMSA-N -1 3 374.400 3.599 20 30 FHEDHM O=C(COC(F)F)[N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000582436271 935699043 /nfs/dbraw/zinc/69/90/43/935699043.db2.gz GWSIBNRXLXQTQE-VIFPVBQESA-N -1 3 351.193 3.664 20 30 FHEDHM C#CCN(Cc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000796660505 935792233 /nfs/dbraw/zinc/79/22/33/935792233.db2.gz VPJSYUZJKTVUDV-UHFFFAOYSA-N -1 3 372.428 3.825 20 30 FHEDHM N#C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C1CCCCC1 ZINC000115184491 935879662 /nfs/dbraw/zinc/87/96/62/935879662.db2.gz BQONIMCEXNKRJV-MRXNPFEDSA-N -1 3 365.462 3.673 20 30 FHEDHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccc(C#N)cc1 ZINC000118170822 938256875 /nfs/dbraw/zinc/25/68/75/938256875.db2.gz JUDNGQDUGAIUEV-ZDUSSCGKSA-N -1 3 373.441 3.834 20 30 FHEDHM Cc1cc(C(=O)NC2CCCC2)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000255575221 938355637 /nfs/dbraw/zinc/35/56/37/938355637.db2.gz OUXPAEBWLYRCDH-UHFFFAOYSA-N -1 3 354.406 3.535 20 30 FHEDHM CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000278678137 938644180 /nfs/dbraw/zinc/64/41/80/938644180.db2.gz JTFXXONCBUCTJA-INIZCTEOSA-N -1 3 359.451 3.502 20 30 FHEDHM Cc1ccc(-c2nc(C)c(C([O-])=C(C#N)C(=O)Nc3ccccc3)s2)o1 ZINC000128260666 938969351 /nfs/dbraw/zinc/96/93/51/938969351.db2.gz HYUGLMNXFSTAHP-AWEZNQCLSA-N -1 3 365.414 3.981 20 30 FHEDHM COc1ccc(NC(C)=O)cc1N=Cc1cc(Br)ccc1[O-] ZINC000255624846 939012702 /nfs/dbraw/zinc/01/27/02/939012702.db2.gz HKQSSMBEUOQGDA-UHFFFAOYSA-N -1 3 363.211 3.872 20 30 FHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](c1cccs1)N1CCOCC1 ZINC000255637127 939019372 /nfs/dbraw/zinc/01/93/72/939019372.db2.gz BUVQFSQUVIFDKA-VUQQOUJSSA-N -1 3 350.871 3.600 20 30 FHEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1-c1ccccc1 ZINC000819718724 945274868 /nfs/dbraw/zinc/27/48/68/945274868.db2.gz OOFHUJXKXXAVQY-UHFFFAOYSA-N -1 3 354.417 3.657 20 30 FHEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1-c1ccccc1 ZINC000819718724 945274873 /nfs/dbraw/zinc/27/48/73/945274873.db2.gz OOFHUJXKXXAVQY-UHFFFAOYSA-N -1 3 354.417 3.657 20 30 FHEDHM CN(C(=O)OC(C)(C)C)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000892482008 939976363 /nfs/dbraw/zinc/97/63/63/939976363.db2.gz APTATLMECDLZIM-MRXNPFEDSA-N -1 3 351.406 3.943 20 30 FHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC3CCC3)c2)cc1 ZINC000180775095 941075062 /nfs/dbraw/zinc/07/50/62/941075062.db2.gz YCXXNJWGLOVIBG-GOSISDBHSA-N -1 3 363.417 3.536 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1csc2ccccc12 ZINC000513206359 941781624 /nfs/dbraw/zinc/78/16/24/941781624.db2.gz KHDFMNRSQHSIMM-UHFFFAOYSA-N -1 3 365.458 3.739 20 30 FHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(Cl)c1 ZINC000513385760 941893376 /nfs/dbraw/zinc/89/33/76/941893376.db2.gz ZSCWSNTVUBLJNY-UHFFFAOYSA-N -1 3 372.837 3.507 20 30 FHEDHM Cc1ccc(N(CC2CC2)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000894236670 942081418 /nfs/dbraw/zinc/08/14/18/942081418.db2.gz VGKXBTLFJGVSFV-UHFFFAOYSA-N -1 3 363.461 3.960 20 30 FHEDHM CCC(C)(C)C1CCC(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000016101916 942135331 /nfs/dbraw/zinc/13/53/31/942135331.db2.gz NKRRKNKAADILOJ-UHFFFAOYSA-N -1 3 371.525 3.907 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC000894295443 942579655 /nfs/dbraw/zinc/57/96/55/942579655.db2.gz CSPMLJOCIPBYQG-LHSJRXKWSA-N -1 3 363.461 3.818 20 30 FHEDHM C=CC[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000664471848 943200528 /nfs/dbraw/zinc/20/05/28/943200528.db2.gz WZSUDVDGLIVOKT-GFCCVEGCSA-N -1 3 353.260 3.652 20 30 FHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1C(F)(F)F ZINC000515024477 943452682 /nfs/dbraw/zinc/45/26/82/943452682.db2.gz QENODSZDXDMMHM-UHFFFAOYSA-N -1 3 358.316 3.825 20 30 FHEDHM COc1cc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)ccc1C#N ZINC000417570253 943710390 /nfs/dbraw/zinc/71/03/90/943710390.db2.gz MSXVZEHKQAXHLR-IBGZPJMESA-N -1 3 352.434 3.996 20 30 FHEDHM C=CC[C@H](CC)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436486193 944370093 /nfs/dbraw/zinc/37/00/93/944370093.db2.gz IMFCDZGWXBBNMP-ICSRJNTNSA-N -1 3 366.461 3.724 20 30 FHEDHM C=C(C)COc1cc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)ccc1OC ZINC000426711687 944734909 /nfs/dbraw/zinc/73/49/09/944734909.db2.gz QNTHAAGAGZMBJL-FQEVSTJZSA-N -1 3 355.434 3.874 20 30 FHEDHM N#CC(=C([O-])c1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000518805807 944786268 /nfs/dbraw/zinc/78/62/68/944786268.db2.gz XCQCZDMQWIEASZ-LBPRGKRZSA-N -1 3 374.278 3.969 20 30 FHEDHM C=C(C)COc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1OC ZINC000426778101 944795338 /nfs/dbraw/zinc/79/53/38/944795338.db2.gz ULSMTGHPNCJCHG-IBGZPJMESA-N -1 3 359.397 3.705 20 30 FHEDHM Cc1c(C(=O)C=Cc2cccc3ccccc23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204109 944982767 /nfs/dbraw/zinc/98/27/67/944982767.db2.gz XYZWLLYZIKAQMH-QXMHVHEDSA-N -1 3 369.428 3.972 20 30 FHEDHM Cc1c(C(=O)C=Cc2cccc3ccccc23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204109 944982772 /nfs/dbraw/zinc/98/27/72/944982772.db2.gz XYZWLLYZIKAQMH-QXMHVHEDSA-N -1 3 369.428 3.972 20 30 FHEDHM N#CC(=C([O-])c1cnc2n1CCCC2)c1nc2cc(Cl)ccc2s1 ZINC000651607687 945408383 /nfs/dbraw/zinc/40/83/83/945408383.db2.gz MJYGCYSGJOHYNU-LLVKDONJSA-N -1 3 356.838 3.973 20 30 FHEDHM Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000473636874 945657685 /nfs/dbraw/zinc/65/76/85/945657685.db2.gz HUZIGLSMNRSCPV-UHFFFAOYSA-N -1 3 359.385 3.690 20 30 FHEDHM C=CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H](C)COC ZINC000661244815 945900174 /nfs/dbraw/zinc/90/01/74/945900174.db2.gz YQXWILHAMLDOGU-GFCCVEGCSA-N -1 3 359.451 3.680 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1OC(F)F ZINC000822930431 946222092 /nfs/dbraw/zinc/22/20/92/946222092.db2.gz ZUNUZCCWZGRLLC-QPJJXVBHSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1OC(F)F ZINC000822930431 946222101 /nfs/dbraw/zinc/22/21/01/946222101.db2.gz ZUNUZCCWZGRLLC-QPJJXVBHSA-N -1 3 360.295 3.503 20 30 FHEDHM C[C@@H](Nc1ccc(C#N)nc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824657531 946888018 /nfs/dbraw/zinc/88/80/18/946888018.db2.gz QTLLGTWWNJRWLM-CQSZACIVSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@@H](Nc1ccc(C#N)nc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824657531 946888030 /nfs/dbraw/zinc/88/80/30/946888030.db2.gz QTLLGTWWNJRWLM-CQSZACIVSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@H](Nc1ncccc1C#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824669995 946889022 /nfs/dbraw/zinc/88/90/22/946889022.db2.gz JXRNLNPGVJDQNG-AWEZNQCLSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@H](Nc1ncccc1C#N)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824669995 946889038 /nfs/dbraw/zinc/88/90/38/946889038.db2.gz JXRNLNPGVJDQNG-AWEZNQCLSA-N -1 3 367.416 3.973 20 30 FHEDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2CCSC2)CC1 ZINC000328692406 946990656 /nfs/dbraw/zinc/99/06/56/946990656.db2.gz RRCJGAMGOANYJS-GFCCVEGCSA-N -1 3 368.886 3.625 20 30 FHEDHM C=C(C)c1cccc(NC(=O)N(C)Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC001573294816 946999932 /nfs/dbraw/zinc/99/99/32/946999932.db2.gz LDRPJMYIXADFHN-UHFFFAOYSA-N -1 3 354.439 3.625 20 30 FHEDHM C=C(C)c1cccc(NC(=O)N(C)Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC001573294816 946999941 /nfs/dbraw/zinc/99/99/41/946999941.db2.gz LDRPJMYIXADFHN-UHFFFAOYSA-N -1 3 354.439 3.625 20 30 FHEDHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000328933632 947092916 /nfs/dbraw/zinc/09/29/16/947092916.db2.gz PUDJLXXFXXIZFA-GFCCVEGCSA-N -1 3 350.415 3.695 20 30 FHEDHM C=C[C@@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC001573316054 947267423 /nfs/dbraw/zinc/26/74/23/947267423.db2.gz FXSKADJYHZKIGU-ZDUSSCGKSA-N -1 3 367.840 3.843 20 30 FHEDHM C=C[C@@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC001573316054 947267437 /nfs/dbraw/zinc/26/74/37/947267437.db2.gz FXSKADJYHZKIGU-ZDUSSCGKSA-N -1 3 367.840 3.843 20 30 FHEDHM C=CCC(F)(F)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@H](C)CC2 ZINC001573325396 947358072 /nfs/dbraw/zinc/35/80/72/947358072.db2.gz BAWNAZFFDXIYAG-RKDXNWHRSA-N -1 3 367.425 3.764 20 30 FHEDHM C=CCC(F)(F)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@H](C)CC2 ZINC001573325396 947358088 /nfs/dbraw/zinc/35/80/88/947358088.db2.gz BAWNAZFFDXIYAG-RKDXNWHRSA-N -1 3 367.425 3.764 20 30 FHEDHM CC(C)c1ccc(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)c([O-])c1 ZINC000331235468 947377240 /nfs/dbraw/zinc/37/72/40/947377240.db2.gz LMDBSWMPRDHOIR-UHFFFAOYSA-N -1 3 361.486 3.997 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826291922 947847019 /nfs/dbraw/zinc/84/70/19/947847019.db2.gz BGTGWMJZDPPTKX-GQCTYLIASA-N -1 3 374.322 3.812 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826291922 947847025 /nfs/dbraw/zinc/84/70/25/947847025.db2.gz BGTGWMJZDPPTKX-GQCTYLIASA-N -1 3 374.322 3.812 20 30 FHEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C2CCCCC2)n1 ZINC000826359625 948115739 /nfs/dbraw/zinc/11/57/39/948115739.db2.gz MBWQQDMJGNVWRH-VAWYXSNFSA-N -1 3 362.437 3.544 20 30 FHEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C2CCCCC2)n1 ZINC000826359625 948115746 /nfs/dbraw/zinc/11/57/46/948115746.db2.gz MBWQQDMJGNVWRH-VAWYXSNFSA-N -1 3 362.437 3.544 20 30 FHEDHM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)ccn1 ZINC000568150174 567947749 /nfs/dbraw/zinc/94/77/49/567947749.db2.gz WAHGGFWHJDGVTD-UHFFFAOYSA-N -1 3 351.387 3.546 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c(Cl)c1 ZINC000481865916 568144082 /nfs/dbraw/zinc/14/40/82/568144082.db2.gz JODACAQFGMRKNR-UHFFFAOYSA-N -1 3 369.229 3.601 20 30 FHEDHM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735651694 598920933 /nfs/dbraw/zinc/92/09/33/598920933.db2.gz WDHLQHLZRAQQJJ-UHFFFAOYSA-N -1 3 374.448 3.607 20 30 FHEDHM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735651694 598920935 /nfs/dbraw/zinc/92/09/35/598920935.db2.gz WDHLQHLZRAQQJJ-UHFFFAOYSA-N -1 3 374.448 3.607 20 30 FHEDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)oc2c1c(C)ccc2C ZINC000737326558 598928598 /nfs/dbraw/zinc/92/85/98/598928598.db2.gz QAWLFJKMHMYQBI-UHFFFAOYSA-N -1 3 372.388 3.662 20 30 FHEDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)oc2c1c(C)ccc2C ZINC000737326558 598928600 /nfs/dbraw/zinc/92/86/00/598928600.db2.gz QAWLFJKMHMYQBI-UHFFFAOYSA-N -1 3 372.388 3.662 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000735418879 599071733 /nfs/dbraw/zinc/07/17/33/599071733.db2.gz KZOXFKPGYDYMMB-OALUTQOASA-N -1 3 365.481 3.598 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000735418879 599071736 /nfs/dbraw/zinc/07/17/36/599071736.db2.gz KZOXFKPGYDYMMB-OALUTQOASA-N -1 3 365.481 3.598 20 30 FHEDHM CC(C)Oc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000820178427 599112218 /nfs/dbraw/zinc/11/22/18/599112218.db2.gz PNUILSMIIDWFAT-MHWRWJLKSA-N -1 3 360.417 3.866 20 30 FHEDHM CC(C)Oc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000820178427 599112220 /nfs/dbraw/zinc/11/22/20/599112220.db2.gz PNUILSMIIDWFAT-MHWRWJLKSA-N -1 3 360.417 3.866 20 30 FHEDHM CC(C)Oc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000820155573 599112428 /nfs/dbraw/zinc/11/24/28/599112428.db2.gz SBSPEOKIXFVXLX-LFIBNONCSA-N -1 3 360.417 3.866 20 30 FHEDHM CC(C)Oc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000820155573 599112431 /nfs/dbraw/zinc/11/24/31/599112431.db2.gz SBSPEOKIXFVXLX-LFIBNONCSA-N -1 3 360.417 3.866 20 30 FHEDHM COc1ccc(Cl)cc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000821824021 599113486 /nfs/dbraw/zinc/11/34/86/599113486.db2.gz FNXPTSIDZGCBRX-XFXZXTDPSA-N -1 3 366.808 3.741 20 30 FHEDHM COc1ccc(Cl)cc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821824021 599113488 /nfs/dbraw/zinc/11/34/88/599113488.db2.gz FNXPTSIDZGCBRX-XFXZXTDPSA-N -1 3 366.808 3.741 20 30 FHEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(Cl)c1 ZINC000821787743 599113694 /nfs/dbraw/zinc/11/36/94/599113694.db2.gz ZGGZQYFUSRJSQK-UKTHLTGXSA-N -1 3 366.808 3.741 20 30 FHEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(Cl)c1 ZINC000821787743 599113696 /nfs/dbraw/zinc/11/36/96/599113696.db2.gz ZGGZQYFUSRJSQK-UKTHLTGXSA-N -1 3 366.808 3.741 20 30 FHEDHM COc1ccc(C=NNc2ccc(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000737082225 599126337 /nfs/dbraw/zinc/12/63/37/599126337.db2.gz FXHXXOWGVRCZDP-UHFFFAOYSA-N -1 3 363.208 3.628 20 30 FHEDHM COc1ccc(C=NNc2ccc(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000737082225 599126340 /nfs/dbraw/zinc/12/63/40/599126340.db2.gz FXHXXOWGVRCZDP-UHFFFAOYSA-N -1 3 363.208 3.628 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCC1CCCC1 ZINC000819743575 599145216 /nfs/dbraw/zinc/14/52/16/599145216.db2.gz MLYPTOCHPQZJCE-UHFFFAOYSA-N -1 3 353.470 3.742 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCC1CCCC1 ZINC000819743575 599145219 /nfs/dbraw/zinc/14/52/19/599145219.db2.gz MLYPTOCHPQZJCE-UHFFFAOYSA-N -1 3 353.470 3.742 20 30 FHEDHM CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000736491698 599152177 /nfs/dbraw/zinc/15/21/77/599152177.db2.gz XKHCYLLPGABNHV-ONNFQVAWSA-N -1 3 364.405 3.560 20 30 FHEDHM CCCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000736491698 599152178 /nfs/dbraw/zinc/15/21/78/599152178.db2.gz XKHCYLLPGABNHV-ONNFQVAWSA-N -1 3 364.405 3.560 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(F)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000737080609 599155412 /nfs/dbraw/zinc/15/54/12/599155412.db2.gz DPPXLBOBNUXHDZ-KXFIGUGUSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000737080609 599155415 /nfs/dbraw/zinc/15/54/15/599155415.db2.gz DPPXLBOBNUXHDZ-KXFIGUGUSA-N -1 3 358.760 3.564 20 30 FHEDHM Cc1c(C(=O)C=Cc2cccc(C)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737391771 599158124 /nfs/dbraw/zinc/15/81/24/599158124.db2.gz HQFZJZVJJNKVRH-WDZFZDKYSA-N -1 3 370.416 3.565 20 30 FHEDHM N#CCOc1ccc(Cl)cc1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737697783 599222257 /nfs/dbraw/zinc/22/22/57/599222257.db2.gz MWTNGYPTNKMVKL-UHFFFAOYSA-N -1 3 357.826 3.715 20 30 FHEDHM N#CCOc1ccc(Cl)cc1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737697783 599222258 /nfs/dbraw/zinc/22/22/58/599222258.db2.gz MWTNGYPTNKMVKL-UHFFFAOYSA-N -1 3 357.826 3.715 20 30 FHEDHM CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000735451416 598313510 /nfs/dbraw/zinc/31/35/10/598313510.db2.gz ZKBVYAVYYHMHMT-UHFFFAOYSA-N -1 3 371.326 3.593 20 30 FHEDHM CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000735451416 598313512 /nfs/dbraw/zinc/31/35/12/598313512.db2.gz ZKBVYAVYYHMHMT-UHFFFAOYSA-N -1 3 371.326 3.593 20 30 FHEDHM CCC=C(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736412238 598331614 /nfs/dbraw/zinc/33/16/14/598331614.db2.gz RUFDTFUZNAVBSK-CNRJSHIUSA-N -1 3 364.434 3.523 20 30 FHEDHM CCC=C(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736412238 598331616 /nfs/dbraw/zinc/33/16/16/598331616.db2.gz RUFDTFUZNAVBSK-CNRJSHIUSA-N -1 3 364.434 3.523 20 30 FHEDHM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000735436060 598439002 /nfs/dbraw/zinc/43/90/02/598439002.db2.gz DTWUMUJMOLAZKO-YCRREMRBSA-N -1 3 366.808 3.981 20 30 FHEDHM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000735436060 598439004 /nfs/dbraw/zinc/43/90/04/598439004.db2.gz DTWUMUJMOLAZKO-YCRREMRBSA-N -1 3 366.808 3.981 20 30 FHEDHM N#CCCSc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737694700 598504722 /nfs/dbraw/zinc/50/47/22/598504722.db2.gz OVYUWIQASSBALR-UHFFFAOYSA-N -1 3 354.414 3.624 20 30 FHEDHM N#CCCSc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737694700 598504724 /nfs/dbraw/zinc/50/47/24/598504724.db2.gz OVYUWIQASSBALR-UHFFFAOYSA-N -1 3 354.414 3.624 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735975162 598554522 /nfs/dbraw/zinc/55/45/22/598554522.db2.gz NYOMGFFFUNOMOH-LBPRGKRZSA-N -1 3 364.434 3.513 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735975162 598554523 /nfs/dbraw/zinc/55/45/23/598554523.db2.gz NYOMGFFFUNOMOH-LBPRGKRZSA-N -1 3 364.434 3.513 20 30 FHEDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000736140385 598572821 /nfs/dbraw/zinc/57/28/21/598572821.db2.gz VGJDRFRHUAVLSX-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000736140385 598572822 /nfs/dbraw/zinc/57/28/22/598572822.db2.gz VGJDRFRHUAVLSX-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM C=C(C)CNC(=S)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735402189 598788221 /nfs/dbraw/zinc/78/82/21/598788221.db2.gz LNKVPYMEXVHPIL-UHFFFAOYSA-N -1 3 366.450 3.522 20 30 FHEDHM C=C(C)CNC(=S)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402189 598788223 /nfs/dbraw/zinc/78/82/23/598788223.db2.gz LNKVPYMEXVHPIL-UHFFFAOYSA-N -1 3 366.450 3.522 20 30 FHEDHM O=C(C=Cc1cc(C(F)(F)F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000737797243 598820929 /nfs/dbraw/zinc/82/09/29/598820929.db2.gz QQBITLIFHPUNGD-DAXSKMNVSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1cc(C(F)(F)F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000737797243 598820930 /nfs/dbraw/zinc/82/09/30/598820930.db2.gz QQBITLIFHPUNGD-DAXSKMNVSA-N -1 3 362.286 3.921 20 30 FHEDHM Cc1c(C(=O)C=Cc2cscc2Cl)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822016020 607367972 /nfs/dbraw/zinc/36/79/72/607367972.db2.gz SVAAQIJDRQXCAZ-PLNGDYQASA-N -1 3 359.842 3.534 20 30 FHEDHM Cc1c(C(=O)C=Cc2cscc2Cl)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016020 607367974 /nfs/dbraw/zinc/36/79/74/607367974.db2.gz SVAAQIJDRQXCAZ-PLNGDYQASA-N -1 3 359.842 3.534 20 30 FHEDHM C#CCOc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000735388015 599525704 /nfs/dbraw/zinc/52/57/04/599525704.db2.gz OXNLJSVHLVBBHD-UHFFFAOYSA-N -1 3 373.338 3.510 20 30 FHEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccncc2)cc1 ZINC000819773510 599663696 /nfs/dbraw/zinc/66/36/96/599663696.db2.gz SGCGWWJXUNPPSX-UHFFFAOYSA-N -1 3 355.405 3.765 20 30 FHEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccncc2)cc1 ZINC000819773510 599663697 /nfs/dbraw/zinc/66/36/97/599663697.db2.gz SGCGWWJXUNPPSX-UHFFFAOYSA-N -1 3 355.405 3.765 20 30 FHEDHM C=CCC[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000819734870 607408099 /nfs/dbraw/zinc/40/80/99/607408099.db2.gz WAWLOGIPCCDZRE-INIZCTEOSA-N -1 3 369.375 3.582 20 30 FHEDHM C=CCC[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000819734870 607408100 /nfs/dbraw/zinc/40/81/00/607408100.db2.gz WAWLOGIPCCDZRE-INIZCTEOSA-N -1 3 369.375 3.582 20 30 FHEDHM N#Cc1ccccc1N1CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000739146508 600400794 /nfs/dbraw/zinc/40/07/94/600400794.db2.gz GGEWUMDZBLJNEK-LJQANCHMSA-N -1 3 369.852 3.550 20 30 FHEDHM O=C1C(=Cc2cncc3ccccc23)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504585 607460937 /nfs/dbraw/zinc/46/09/37/607460937.db2.gz RPPXLGNTNSDQAK-GXDHUFHOSA-N -1 3 353.385 3.627 20 30 FHEDHM O=C1C(=Cc2cncc3ccccc23)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504585 607460939 /nfs/dbraw/zinc/46/09/39/607460939.db2.gz RPPXLGNTNSDQAK-GXDHUFHOSA-N -1 3 353.385 3.627 20 30 FHEDHM CC(C)c1ccc([C@H](C)NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820192178 607464618 /nfs/dbraw/zinc/46/46/18/607464618.db2.gz FZBKZTVKMMOFEP-ZDUSSCGKSA-N -1 3 352.417 3.814 20 30 FHEDHM CC(C)c1ccc([C@H](C)NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820192178 607464620 /nfs/dbraw/zinc/46/46/20/607464620.db2.gz FZBKZTVKMMOFEP-ZDUSSCGKSA-N -1 3 352.417 3.814 20 30 FHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(Br)c1 ZINC000827716671 601299222 /nfs/dbraw/zinc/29/92/22/601299222.db2.gz AABVMFJUBJZCRB-BDJLRTHQSA-N -1 3 359.223 3.797 20 30 FHEDHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1SC ZINC000831990095 601312476 /nfs/dbraw/zinc/31/24/76/601312476.db2.gz ZUPAQUREFXAZHM-GOSISDBHSA-N -1 3 356.447 3.546 20 30 FHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC000827717851 601560398 /nfs/dbraw/zinc/56/03/98/601560398.db2.gz LSZQIFKPQJGXAN-BDJLRTHQSA-N -1 3 364.323 3.933 20 30 FHEDHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000826051194 601656406 /nfs/dbraw/zinc/65/64/06/601656406.db2.gz BHKHQABBPFTYEV-PXAZEXFGSA-N -1 3 360.360 3.711 20 30 FHEDHM Fc1ccc(C(F)(F)F)cc1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826373793 607817131 /nfs/dbraw/zinc/81/71/31/607817131.db2.gz ZSGZZDNKBRQTML-UHFFFAOYSA-N -1 3 356.308 3.532 20 30 FHEDHM C[C@H](Oc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1)C(=O)[O-] ZINC000833537421 604531764 /nfs/dbraw/zinc/53/17/64/604531764.db2.gz KJQHNGNCXHMVDX-HNNXBMFYSA-N -1 3 350.418 3.575 20 30 FHEDHM CC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000827513765 605188619 /nfs/dbraw/zinc/18/86/19/605188619.db2.gz CULWCKBUDUGGKZ-IUCAKERBSA-N -1 3 371.340 3.538 20 30 FHEDHM N#Cc1ccc(OC2CCN(Cc3cccc(NC(=O)[O-])c3)CC2)cc1 ZINC000833977865 605594960 /nfs/dbraw/zinc/59/49/60/605594960.db2.gz SZNDDJSRFNGJHC-UHFFFAOYSA-N -1 3 351.406 3.692 20 30 FHEDHM N#Cc1ccc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000822833890 606242482 /nfs/dbraw/zinc/24/24/82/606242482.db2.gz ZILAHMXRBRFAFU-UHFFFAOYSA-N -1 3 356.345 3.718 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000822922785 606306242 /nfs/dbraw/zinc/30/62/42/606306242.db2.gz JUMOWICTSAOCST-WAYWQWQTSA-N -1 3 366.324 3.723 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000822922785 606306244 /nfs/dbraw/zinc/30/62/44/606306244.db2.gz JUMOWICTSAOCST-WAYWQWQTSA-N -1 3 366.324 3.723 20 30 FHEDHM O=C1c2c([nH]c3ccc(F)cc32)CCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823498379 606306661 /nfs/dbraw/zinc/30/66/61/606306661.db2.gz NCNXKTUGRFEZEE-UITAMQMPSA-N -1 3 365.393 3.761 20 30 FHEDHM O=C1c2c([nH]c3ccc(F)cc32)CCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823498379 606306662 /nfs/dbraw/zinc/30/66/62/606306662.db2.gz NCNXKTUGRFEZEE-UITAMQMPSA-N -1 3 365.393 3.761 20 30 FHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CSc2ccc(Cl)cc21 ZINC000823503921 606389919 /nfs/dbraw/zinc/38/99/19/606389919.db2.gz KQSVTLXWMKCWCK-VMPITWQZSA-N -1 3 360.851 3.954 20 30 FHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CSc2ccc(Cl)cc21 ZINC000823503923 606389962 /nfs/dbraw/zinc/38/99/62/606389962.db2.gz KQSVTLXWMKCWCK-YVMONPNESA-N -1 3 360.851 3.954 20 30 FHEDHM CC(C)c1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CO2 ZINC000820192306 606390248 /nfs/dbraw/zinc/39/02/48/606390248.db2.gz IVUJXQSGGNUJRG-GHXNOFRVSA-N -1 3 352.419 3.710 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823503023 606392927 /nfs/dbraw/zinc/39/29/27/606392927.db2.gz AHYDYMXZWSWXRS-CLFYSBASSA-N -1 3 358.810 3.630 20 30 FHEDHM C=CCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000819734452 606394438 /nfs/dbraw/zinc/39/44/38/606394438.db2.gz OBDBIALBUGTFBW-CQSZACIVSA-N -1 3 364.434 3.523 20 30 FHEDHM C=CCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000819734452 606394440 /nfs/dbraw/zinc/39/44/40/606394440.db2.gz OBDBIALBUGTFBW-CQSZACIVSA-N -1 3 364.434 3.523 20 30 FHEDHM C=CCCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000819734450 606394802 /nfs/dbraw/zinc/39/48/02/606394802.db2.gz OBDBIALBUGTFBW-AWEZNQCLSA-N -1 3 364.434 3.523 20 30 FHEDHM C=CCCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000819734450 606394803 /nfs/dbraw/zinc/39/48/03/606394803.db2.gz OBDBIALBUGTFBW-AWEZNQCLSA-N -1 3 364.434 3.523 20 30 FHEDHM N#CCCSc1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822811348 606459308 /nfs/dbraw/zinc/45/93/08/606459308.db2.gz XABYHOLAHCHBMY-UHFFFAOYSA-N -1 3 354.414 3.624 20 30 FHEDHM N#CCCSc1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822811348 606459309 /nfs/dbraw/zinc/45/93/09/606459309.db2.gz XABYHOLAHCHBMY-UHFFFAOYSA-N -1 3 354.414 3.624 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc(Br)ccc1F ZINC000822922365 606836706 /nfs/dbraw/zinc/83/67/06/606836706.db2.gz GCJQUSDQOOJNPN-BAQGIRSFSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc(Br)ccc1F ZINC000822922365 606836708 /nfs/dbraw/zinc/83/67/08/606836708.db2.gz GCJQUSDQOOJNPN-BAQGIRSFSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000822927831 607122896 /nfs/dbraw/zinc/12/28/96/607122896.db2.gz BJBUGXSYWHRVIO-SOFGYWHQSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000822927831 607122897 /nfs/dbraw/zinc/12/28/97/607122897.db2.gz BJBUGXSYWHRVIO-SOFGYWHQSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000826401636 607882899 /nfs/dbraw/zinc/88/28/99/607882899.db2.gz CVGWNBRBTGJFAF-JXMROGBWSA-N -1 3 355.195 3.525 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000826401636 607882900 /nfs/dbraw/zinc/88/29/00/607882900.db2.gz CVGWNBRBTGJFAF-JXMROGBWSA-N -1 3 355.195 3.525 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Br)s1 ZINC000826402583 607883852 /nfs/dbraw/zinc/88/38/52/607883852.db2.gz XKHDLWWHTBMCEV-WAYWQWQTSA-N -1 3 361.224 3.587 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Br)s1 ZINC000826402583 607883853 /nfs/dbraw/zinc/88/38/53/607883853.db2.gz XKHDLWWHTBMCEV-WAYWQWQTSA-N -1 3 361.224 3.587 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1OC(F)F ZINC000826401515 607884958 /nfs/dbraw/zinc/88/49/58/607884958.db2.gz ASUZHEBXWHPKDO-YVMONPNESA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1OC(F)F ZINC000826401515 607884959 /nfs/dbraw/zinc/88/49/59/607884959.db2.gz ASUZHEBXWHPKDO-YVMONPNESA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000826401272 607915935 /nfs/dbraw/zinc/91/59/35/607915935.db2.gz UKICILHDOQUNSD-KRXBUXKQSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000826401272 607915936 /nfs/dbraw/zinc/91/59/36/607915936.db2.gz UKICILHDOQUNSD-KRXBUXKQSA-N -1 3 373.185 3.664 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823883357 607999822 /nfs/dbraw/zinc/99/98/22/607999822.db2.gz PCQMXPQKDADEDH-ZDUSSCGKSA-N -1 3 353.451 3.843 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823883357 607999823 /nfs/dbraw/zinc/99/98/23/607999823.db2.gz PCQMXPQKDADEDH-ZDUSSCGKSA-N -1 3 353.451 3.843 20 30 FHEDHM O=C(C=Cc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000826400225 608048031 /nfs/dbraw/zinc/04/80/31/608048031.db2.gz SMAOELUSDKOZRS-VMPITWQZSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000826400225 608048032 /nfs/dbraw/zinc/04/80/32/608048032.db2.gz SMAOELUSDKOZRS-VMPITWQZSA-N -1 3 373.185 3.664 20 30 FHEDHM Cc1ccc(C#N)c(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826281539 608294000 /nfs/dbraw/zinc/29/40/00/608294000.db2.gz XYQIGWFVUDLIMB-UHFFFAOYSA-N -1 3 367.416 3.721 20 30 FHEDHM Cc1ccc(C#N)c(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826281539 608294002 /nfs/dbraw/zinc/29/40/02/608294002.db2.gz XYQIGWFVUDLIMB-UHFFFAOYSA-N -1 3 367.416 3.721 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475839 608387695 /nfs/dbraw/zinc/38/76/95/608387695.db2.gz SLXLYIJSOYDPFY-YRNVUSSQSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475839 608387697 /nfs/dbraw/zinc/38/76/97/608387697.db2.gz SLXLYIJSOYDPFY-YRNVUSSQSA-N -1 3 370.771 3.708 20 30 FHEDHM N#Cc1ccc(C2=CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000826384729 608444358 /nfs/dbraw/zinc/44/43/58/608444358.db2.gz HIYCWWNKWMZDNY-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM N#Cc1ccc(C2=CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000826384729 608444359 /nfs/dbraw/zinc/44/43/59/608444359.db2.gz HIYCWWNKWMZDNY-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM CCCCCCCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825270773 608478328 /nfs/dbraw/zinc/47/83/28/608478328.db2.gz CRQDVSKWUKFORE-UHFFFAOYSA-N -1 3 353.470 3.843 20 30 FHEDHM CCCCCCCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825270773 608478329 /nfs/dbraw/zinc/47/83/29/608478329.db2.gz CRQDVSKWUKFORE-UHFFFAOYSA-N -1 3 353.470 3.843 20 30 FHEDHM Clc1cccc(C2CC(N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)C2)c1 ZINC000826353164 608536645 /nfs/dbraw/zinc/53/66/45/608536645.db2.gz DRQAISPFFNMVQE-UHFFFAOYSA-N -1 3 374.235 3.914 20 30 FHEDHM Clc1cccc(C2CC(N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)C2)c1 ZINC000826353164 608536646 /nfs/dbraw/zinc/53/66/46/608536646.db2.gz DRQAISPFFNMVQE-UHFFFAOYSA-N -1 3 374.235 3.914 20 30 FHEDHM C[C@@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c2ccccc21 ZINC000824898986 608540304 /nfs/dbraw/zinc/54/03/04/608540304.db2.gz HGDDZURWORMVMF-SNVBAGLBSA-N -1 3 353.817 3.629 20 30 FHEDHM C[C@@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c2ccccc21 ZINC000824898986 608540306 /nfs/dbraw/zinc/54/03/06/608540306.db2.gz HGDDZURWORMVMF-SNVBAGLBSA-N -1 3 353.817 3.629 20 30 FHEDHM O=C1c2cc(F)ccc2SCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475828 608878084 /nfs/dbraw/zinc/87/80/84/608878084.db2.gz SDBVPOGFCVHDEA-YHYXMXQVSA-N -1 3 356.357 3.517 20 30 FHEDHM O=C1c2cc(F)ccc2SCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475828 608878086 /nfs/dbraw/zinc/87/80/86/608878086.db2.gz SDBVPOGFCVHDEA-YHYXMXQVSA-N -1 3 356.357 3.517 20 30 FHEDHM CSc1ccc2c(c1)CCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826231061 608878942 /nfs/dbraw/zinc/87/89/42/608878942.db2.gz VFQRRHNUNZJDFK-MDWZMJQESA-N -1 3 366.421 3.940 20 30 FHEDHM CSc1ccc2c(c1)CCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826231061 608878946 /nfs/dbraw/zinc/87/89/46/608878946.db2.gz VFQRRHNUNZJDFK-MDWZMJQESA-N -1 3 366.421 3.940 20 30 FHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CCO2 ZINC000826272940 608880649 /nfs/dbraw/zinc/88/06/49/608880649.db2.gz HXALFVFXDLMLQD-ZROIWOOFSA-N -1 3 364.380 3.671 20 30 FHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CCO2 ZINC000826272940 608880654 /nfs/dbraw/zinc/88/06/54/608880654.db2.gz HXALFVFXDLMLQD-ZROIWOOFSA-N -1 3 364.380 3.671 20 30 FHEDHM C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824530418 609152237 /nfs/dbraw/zinc/15/22/37/609152237.db2.gz KYYADRTWDCZUBO-UGSOOPFHSA-N -1 3 350.401 3.701 20 30 FHEDHM C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662562 609175590 /nfs/dbraw/zinc/17/55/90/609175590.db2.gz NEIWVXVAXMXKMU-CYBMUJFWSA-N -1 3 366.400 3.861 20 30 FHEDHM C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662562 609175592 /nfs/dbraw/zinc/17/55/92/609175592.db2.gz NEIWVXVAXMXKMU-CYBMUJFWSA-N -1 3 366.400 3.861 20 30 FHEDHM CC(C)COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824271598 609269345 /nfs/dbraw/zinc/26/93/45/609269345.db2.gz PQHBTUMZPNULAA-YHYXMXQVSA-N -1 3 366.396 3.937 20 30 FHEDHM CC(C)COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824271598 609269347 /nfs/dbraw/zinc/26/93/47/609269347.db2.gz PQHBTUMZPNULAA-YHYXMXQVSA-N -1 3 366.396 3.937 20 30 FHEDHM COc1ccc2oc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)cc2c1 ZINC000826213560 609269983 /nfs/dbraw/zinc/26/99/83/609269983.db2.gz BKWRMBGFQSVYAC-ZZXKWVIFSA-N -1 3 364.336 3.657 20 30 FHEDHM COc1ccc2oc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)cc2c1 ZINC000826213560 609269984 /nfs/dbraw/zinc/26/99/84/609269984.db2.gz BKWRMBGFQSVYAC-ZZXKWVIFSA-N -1 3 364.336 3.657 20 30 FHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1OC(F)F ZINC000826297821 609270570 /nfs/dbraw/zinc/27/05/70/609270570.db2.gz UHMOACJKHXQBBS-VURMDHGXSA-N -1 3 374.322 3.812 20 30 FHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1OC(F)F ZINC000826297821 609270571 /nfs/dbraw/zinc/27/05/71/609270571.db2.gz UHMOACJKHXQBBS-VURMDHGXSA-N -1 3 374.322 3.812 20 30 FHEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400624 609272386 /nfs/dbraw/zinc/27/23/86/609272386.db2.gz CSZVETWTUXQPNQ-BAQGIRSFSA-N -1 3 374.322 3.546 20 30 FHEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400624 609272387 /nfs/dbraw/zinc/27/23/87/609272387.db2.gz CSZVETWTUXQPNQ-BAQGIRSFSA-N -1 3 374.322 3.546 20 30 FHEDHM COc1c(C)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000826167018 609274229 /nfs/dbraw/zinc/27/42/29/609274229.db2.gz MDUWIBNCPXJFNR-QPJJXVBHSA-N -1 3 352.369 3.527 20 30 FHEDHM COc1c(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000826167018 609274231 /nfs/dbraw/zinc/27/42/31/609274231.db2.gz MDUWIBNCPXJFNR-QPJJXVBHSA-N -1 3 352.369 3.527 20 30 FHEDHM COCCC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1 ZINC000826153190 609470950 /nfs/dbraw/zinc/47/09/50/609470950.db2.gz DZUAVEOGDDXNAA-UHFFFAOYSA-N -1 3 374.807 3.512 20 30 FHEDHM COCCC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1 ZINC000826153190 609470952 /nfs/dbraw/zinc/47/09/52/609470952.db2.gz DZUAVEOGDDXNAA-UHFFFAOYSA-N -1 3 374.807 3.512 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2ccccc2n1 ZINC000823958612 609472969 /nfs/dbraw/zinc/47/29/69/609472969.db2.gz SNWQVKXMJRYLOF-UHFFFAOYSA-N -1 3 363.812 3.904 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2ccccc2n1 ZINC000823958612 609472970 /nfs/dbraw/zinc/47/29/70/609472970.db2.gz SNWQVKXMJRYLOF-UHFFFAOYSA-N -1 3 363.812 3.904 20 30 FHEDHM N#Cc1c(F)cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)cc1F ZINC001167651243 936390382 /nfs/dbraw/zinc/39/03/82/936390382.db2.gz KBHFXXCPXGRYIM-ONEGZZNKSA-N -1 3 358.329 3.704 20 30 FHEDHM CC[C@@H]1CCc2ccccc2N1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000177664705 929997750 /nfs/dbraw/zinc/99/77/50/929997750.db2.gz AVAUMOBETUURSW-QGZVFWFLSA-N -1 3 363.461 3.554 20 30 FHEDHM Cc1nc(-c2ccc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cc2)n[nH]1 ZINC000134154245 930313103 /nfs/dbraw/zinc/31/31/03/930313103.db2.gz OBENTWMADOWREG-AWEZNQCLSA-N -1 3 371.322 3.684 20 30 FHEDHM N#CC(=C([O-])c1ccnc2ccncc21)c1nc2ccccc2n1C(F)F ZINC000580264085 930417062 /nfs/dbraw/zinc/41/70/62/930417062.db2.gz NUYYQCONUFLHKF-LBPRGKRZSA-N -1 3 363.327 3.865 20 30 FHEDHM CCOc1ccc(N=Cc2cc(Br)ccc2[O-])cc1CO ZINC000255216998 930880198 /nfs/dbraw/zinc/88/01/98/930880198.db2.gz YTCKDHDQARRYGT-UHFFFAOYSA-N -1 3 350.212 3.796 20 30 FHEDHM COc1cc(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)c(OC)cc1[O-] ZINC000177906456 931556810 /nfs/dbraw/zinc/55/68/10/931556810.db2.gz PTEBKVIHKVIXMA-CMDGGOBGSA-N -1 3 350.374 3.696 20 30 FHEDHM COc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(OC)c1OC ZINC000430587583 931967514 /nfs/dbraw/zinc/96/75/14/931967514.db2.gz WLEWGQBIFBKPBV-LBPRGKRZSA-N -1 3 374.462 3.956 20 30 FHEDHM Cc1cc(C(C#N)=C([O-])c2cncc(-c3ccc4c(c3)CCO4)c2)nc(C)n1 ZINC000431128475 933879142 /nfs/dbraw/zinc/87/91/42/933879142.db2.gz RPMHZFPSOKPHMG-IBGZPJMESA-N -1 3 370.412 3.580 20 30 FHEDHM C=CCCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1-n1nc(C)cc1C ZINC000431181378 934024725 /nfs/dbraw/zinc/02/47/25/934024725.db2.gz SBKAOQPIXBUJFA-UHFFFAOYSA-N -1 3 373.400 3.826 20 30 FHEDHM C=C(C)CN(CC)C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000010078501 934769202 /nfs/dbraw/zinc/76/92/02/934769202.db2.gz VGIMFUKTQANCLF-UHFFFAOYSA-N -1 3 366.487 3.938 20 30 FHEDHM N#C[C@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000187745292 934804888 /nfs/dbraw/zinc/80/48/88/934804888.db2.gz FXCSGGSIVYWUNA-HNNXBMFYSA-N -1 3 360.401 3.597 20 30 FHEDHM Cc1cc(C(=O)N2CCOCC2)ccc1N=Cc1cc(Cl)ccc1[O-] ZINC000255494548 935355113 /nfs/dbraw/zinc/35/51/13/935355113.db2.gz RVHCGXKEFQIXOC-UHFFFAOYSA-N -1 3 358.825 3.577 20 30 FHEDHM O=C1OCCN1c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255550450 936146998 /nfs/dbraw/zinc/14/69/98/936146998.db2.gz SOQJEJBMGWBGRV-UHFFFAOYSA-N -1 3 361.195 3.862 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1COc2cc(Cl)ccc21 ZINC000278467463 938456544 /nfs/dbraw/zinc/45/65/44/938456544.db2.gz NISYHPFQIUCIQJ-QGZVFWFLSA-N -1 3 372.808 3.539 20 30 FHEDHM COc1cc(/C=C\C(=O)c2ccccc2C#N)cc(Br)c1[O-] ZINC000588618529 938997597 /nfs/dbraw/zinc/99/75/97/938997597.db2.gz XVEKCBIHQFAGGK-SREVYHEPSA-N -1 3 358.191 3.931 20 30 FHEDHM Cc1ncc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)cc1C#N ZINC000427300990 945263641 /nfs/dbraw/zinc/26/36/41/945263641.db2.gz HJXGGAVRXYVBDG-UHFFFAOYSA-N -1 3 365.842 3.503 20 30 FHEDHM O=C1[C@H](/N=C\c2cc(Cl)ccc2[O-])CCN1c1c(F)cccc1F ZINC000255846802 939924541 /nfs/dbraw/zinc/92/45/41/939924541.db2.gz QALPAUPKGACVKE-FGJCKKKHSA-N -1 3 350.752 3.548 20 30 FHEDHM N#C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(Cl)c1Cl ZINC000066392181 940478089 /nfs/dbraw/zinc/47/80/89/940478089.db2.gz ZKXHVXNQWAOEEA-HNNXBMFYSA-N -1 3 372.211 3.830 20 30 FHEDHM C[C@H]1Oc2ccc(N=Cc3cc(Br)ccc3[O-])cc2NC1=O ZINC000255889883 940734584 /nfs/dbraw/zinc/73/45/84/940734584.db2.gz ZRJXUCWSOIYAMD-SECBINFHSA-N -1 3 361.195 3.625 20 30 FHEDHM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000181411779 941154560 /nfs/dbraw/zinc/15/45/60/941154560.db2.gz GIDJXLGWCFNKDI-UHFFFAOYSA-N -1 3 373.294 3.740 20 30 FHEDHM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000181411779 941154561 /nfs/dbraw/zinc/15/45/61/941154561.db2.gz GIDJXLGWCFNKDI-UHFFFAOYSA-N -1 3 373.294 3.740 20 30 FHEDHM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000122341630 941548583 /nfs/dbraw/zinc/54/85/83/941548583.db2.gz PHSCYTJQNPIVRW-JXMROGBWSA-N -1 3 366.801 3.794 20 30 FHEDHM N#Cc1ccc(N2CCN(Cc3c(F)ccc([O-])c3F)CC2)c(Cl)c1 ZINC000513265639 941817719 /nfs/dbraw/zinc/81/77/19/941817719.db2.gz GSWVZOQPEBGCPZ-UHFFFAOYSA-N -1 3 363.795 3.518 20 30 FHEDHM C=CCN(CC=C)C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000010077382 942596067 /nfs/dbraw/zinc/59/60/67/942596067.db2.gz KEBRESPBORPHJO-UHFFFAOYSA-N -1 3 364.471 3.714 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CC(F)F)c1ccccc1 ZINC000421696507 942752300 /nfs/dbraw/zinc/75/23/00/942752300.db2.gz AXBLABPAOFYYEX-QGZVFWFLSA-N -1 3 373.403 3.721 20 30 FHEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCC2(CCCCC2)CC1 ZINC000329832678 943154246 /nfs/dbraw/zinc/15/42/46/943154246.db2.gz GAXRJLKZYVQEDN-UHFFFAOYSA-N -1 3 359.396 3.674 20 30 FHEDHM C[C@@H]([N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F)c1noc(C(F)F)n1 ZINC000644776532 943595568 /nfs/dbraw/zinc/59/55/68/943595568.db2.gz CZKRYTFFNIXJKH-SCSAIBSYSA-N -1 3 371.212 3.795 20 30 FHEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(Cl)ccc1OCc1cccnc1 ZINC000417604011 943744693 /nfs/dbraw/zinc/74/46/93/943744693.db2.gz ARMLSRBHGYKBIA-KRWDZBQOSA-N -1 3 360.841 3.823 20 30 FHEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(F)F)ccc1Cl ZINC000518607723 944531354 /nfs/dbraw/zinc/53/13/54/944531354.db2.gz LZLYAFSKXSUPEO-UHFFFAOYSA-N -1 3 372.780 3.959 20 30 FHEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1OC ZINC000426745589 944759715 /nfs/dbraw/zinc/75/97/15/944759715.db2.gz VISRILPWZKBZLE-HXUWFJFHSA-N -1 3 355.434 3.792 20 30 FHEDHM CC[C@H](CC1CCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736348398 944807477 /nfs/dbraw/zinc/80/74/77/944807477.db2.gz AXCSJJFZHCQKFD-CQSZACIVSA-N -1 3 352.442 3.673 20 30 FHEDHM CC[C@H](CC1CCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736348398 944807482 /nfs/dbraw/zinc/80/74/82/944807482.db2.gz AXCSJJFZHCQKFD-CQSZACIVSA-N -1 3 352.442 3.673 20 30 FHEDHM N#CCc1ccc(Oc2ccc(C(=O)NCc3ncccc3[O-])cc2)cc1 ZINC000473626312 945629435 /nfs/dbraw/zinc/62/94/35/945629435.db2.gz BIMOHOOXMSRCQC-UHFFFAOYSA-N -1 3 359.385 3.576 20 30 FHEDHM C#CCC1(C(=O)Oc2cc(C)c(-c3nn[n-]n3)c(C)c2C)CCCCC1 ZINC001573285306 946773023 /nfs/dbraw/zinc/77/30/23/946773023.db2.gz VSJNMPMRMWGWBS-UHFFFAOYSA-N -1 3 352.438 3.671 20 30 FHEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1c(F)cccc1F ZINC000475595606 946828246 /nfs/dbraw/zinc/82/82/46/946828246.db2.gz LLDFYPCZBWDLMW-VIFPVBQESA-N -1 3 356.781 3.529 20 30 FHEDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824648636 946884657 /nfs/dbraw/zinc/88/46/57/946884657.db2.gz HWPJTBAHEIPHJM-CQSZACIVSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824648636 946884673 /nfs/dbraw/zinc/88/46/73/946884673.db2.gz HWPJTBAHEIPHJM-CQSZACIVSA-N -1 3 367.416 3.973 20 30 FHEDHM N#CC(=C([O-])c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1ccccn1 ZINC000049457432 947075178 /nfs/dbraw/zinc/07/51/78/947075178.db2.gz XQBQVLQFBPJYDE-KRWDZBQOSA-N -1 3 371.375 3.687 20 30 FHEDHM Cc1ccc(-c2nc(NC(=O)c3cn(CCCC#N)c4ccccc34)n[n-]2)o1 ZINC000444821907 947235439 /nfs/dbraw/zinc/23/54/39/947235439.db2.gz DRLHCSKPQXLIDK-UHFFFAOYSA-N -1 3 374.404 3.884 20 30 FHEDHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c([O-])c1 ZINC000331238299 947378216 /nfs/dbraw/zinc/37/82/16/947378216.db2.gz NRQNVQQWDMLWLV-CQSZACIVSA-N -1 3 372.387 3.585 20 30 FHEDHM C=CCC[C@@H](C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001573327894 947398365 /nfs/dbraw/zinc/39/83/65/947398365.db2.gz NKYDMCXSMKUPRG-GOSISDBHSA-N -1 3 359.433 3.506 20 30 FHEDHM C=CCC[C@@H](C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001573327894 947398382 /nfs/dbraw/zinc/39/83/82/947398382.db2.gz NKYDMCXSMKUPRG-GOSISDBHSA-N -1 3 359.433 3.506 20 30 FHEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400834 948220398 /nfs/dbraw/zinc/22/03/98/948220398.db2.gz JMFWBXUPHYRORF-BAQGIRSFSA-N -1 3 374.322 3.546 20 30 FHEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400834 948220403 /nfs/dbraw/zinc/22/04/03/948220403.db2.gz JMFWBXUPHYRORF-BAQGIRSFSA-N -1 3 374.322 3.546 20 30 FHEDHM O=C(C=Cc1cnc(C2CCC2)s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403304 948226152 /nfs/dbraw/zinc/22/61/52/948226152.db2.gz ONDBFDQUCKFFBS-ALCCZGGFSA-N -1 3 355.398 3.626 20 30 FHEDHM O=C(C=Cc1cnc(C2CCC2)s1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403304 948226156 /nfs/dbraw/zinc/22/61/56/948226156.db2.gz ONDBFDQUCKFFBS-ALCCZGGFSA-N -1 3 355.398 3.626 20 30 FHEDHM N#Cc1cc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)ccc1Cl ZINC000541790051 567833474 /nfs/dbraw/zinc/83/34/74/567833474.db2.gz ODESXOLMNSEDMS-UHFFFAOYSA-N -1 3 359.723 3.527 20 30 FHEDHM N#Cc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)ccc1Cl ZINC000541790051 567833476 /nfs/dbraw/zinc/83/34/76/567833476.db2.gz ODESXOLMNSEDMS-UHFFFAOYSA-N -1 3 359.723 3.527 20 30 FHEDHM N#Cc1cc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)ccc1Cl ZINC000541790051 567833477 /nfs/dbraw/zinc/83/34/77/567833477.db2.gz ODESXOLMNSEDMS-UHFFFAOYSA-N -1 3 359.723 3.527 20 30 FHEDHM CCOc1cc([O-])ccc1NC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000481521055 568004530 /nfs/dbraw/zinc/00/45/30/568004530.db2.gz QIXLSVZNWVNRPN-UHFFFAOYSA-N -1 3 369.446 3.909 20 30 FHEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481861731 568163203 /nfs/dbraw/zinc/16/32/03/568163203.db2.gz BMZLWHVJASUBLV-UHFFFAOYSA-N -1 3 369.229 3.601 20 30 FHEDHM N#Cc1ccc(-c2csc([N-]C(=O)c3snnc3C3CC3)n2)cc1 ZINC000568930892 568253445 /nfs/dbraw/zinc/25/34/45/568253445.db2.gz SMOOJIFINFFSGB-UHFFFAOYSA-N -1 3 353.432 3.663 20 30 FHEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3ccc4nccnc4n3)sc2[C@@H](C)C1 ZINC000569316563 568376647 /nfs/dbraw/zinc/37/66/47/568376647.db2.gz HJCVWEZOZAGGQB-QWRGUYRKSA-N -1 3 363.446 3.896 20 30 FHEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000819773136 607253692 /nfs/dbraw/zinc/25/36/92/607253692.db2.gz OUZJMBWESMFJGP-UHFFFAOYSA-N -1 3 361.236 3.687 20 30 FHEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000819773136 607253693 /nfs/dbraw/zinc/25/36/93/607253693.db2.gz OUZJMBWESMFJGP-UHFFFAOYSA-N -1 3 361.236 3.687 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000737080603 599150898 /nfs/dbraw/zinc/15/08/98/599150898.db2.gz DLMXCCUWDZPTMV-VURMDHGXSA-N -1 3 374.322 3.790 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000737080603 599150901 /nfs/dbraw/zinc/15/09/01/599150901.db2.gz DLMXCCUWDZPTMV-VURMDHGXSA-N -1 3 374.322 3.790 20 30 FHEDHM COc1ccc(C=CC(=O)c2c(C)[nH]c3ccccc32)cc1-c1nnn[n-]1 ZINC000737081304 599155172 /nfs/dbraw/zinc/15/51/72/599155172.db2.gz MVEVXGFNAHUOQF-VQHVLOKHSA-N -1 3 359.389 3.561 20 30 FHEDHM COc1ccc(C=CC(=O)c2c(C)[nH]c3ccccc32)cc1-c1nn[n-]n1 ZINC000737081304 599155175 /nfs/dbraw/zinc/15/51/75/599155175.db2.gz MVEVXGFNAHUOQF-VQHVLOKHSA-N -1 3 359.389 3.561 20 30 FHEDHM C=CC[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735409349 599217433 /nfs/dbraw/zinc/21/74/33/599217433.db2.gz CWFNMDFYDAURFH-ZDUSSCGKSA-N -1 3 364.409 3.745 20 30 FHEDHM C=CC[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735409349 599217436 /nfs/dbraw/zinc/21/74/36/599217436.db2.gz CWFNMDFYDAURFH-ZDUSSCGKSA-N -1 3 364.409 3.745 20 30 FHEDHM CCCC=CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736434345 599218509 /nfs/dbraw/zinc/21/85/09/599218509.db2.gz DXRBFMDUTJTKCC-WSNITJDQSA-N -1 3 364.434 3.523 20 30 FHEDHM CCCC=CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736434345 599218511 /nfs/dbraw/zinc/21/85/11/599218511.db2.gz DXRBFMDUTJTKCC-WSNITJDQSA-N -1 3 364.434 3.523 20 30 FHEDHM N#CCOc1ccc(Cl)cc1CSCc1ccccc1-c1nnn[n-]1 ZINC000737698049 599238102 /nfs/dbraw/zinc/23/81/02/599238102.db2.gz SRPBHDNGZSBHGL-UHFFFAOYSA-N -1 3 371.853 3.856 20 30 FHEDHM N#CCOc1ccc(Cl)cc1CSCc1ccccc1-c1nn[n-]n1 ZINC000737698049 599238103 /nfs/dbraw/zinc/23/81/03/599238103.db2.gz SRPBHDNGZSBHGL-UHFFFAOYSA-N -1 3 371.853 3.856 20 30 FHEDHM C=CCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000735409246 598327040 /nfs/dbraw/zinc/32/70/40/598327040.db2.gz WIUVBJFIUPHKFJ-UHFFFAOYSA-N -1 3 365.412 3.814 20 30 FHEDHM C=CCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000735409246 598327042 /nfs/dbraw/zinc/32/70/42/598327042.db2.gz WIUVBJFIUPHKFJ-UHFFFAOYSA-N -1 3 365.412 3.814 20 30 FHEDHM C=CCOc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000735436875 598438646 /nfs/dbraw/zinc/43/86/46/598438646.db2.gz SESWEYMSUFJTCF-VURMDHGXSA-N -1 3 366.808 3.981 20 30 FHEDHM C=CCOc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000735436875 598438648 /nfs/dbraw/zinc/43/86/48/598438648.db2.gz SESWEYMSUFJTCF-VURMDHGXSA-N -1 3 366.808 3.981 20 30 FHEDHM O=C(C=Cc1cnc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000737804398 598439949 /nfs/dbraw/zinc/43/99/49/598439949.db2.gz AYNCPDLQRBFYOK-MDZDMXLPSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1cnc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000737804398 598439951 /nfs/dbraw/zinc/43/99/51/598439951.db2.gz AYNCPDLQRBFYOK-MDZDMXLPSA-N -1 3 359.414 3.886 20 30 FHEDHM N#CCCSc1ccccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737695939 598511957 /nfs/dbraw/zinc/51/19/57/598511957.db2.gz XQNONJMMBKAKSJ-UHFFFAOYSA-N -1 3 365.422 3.516 20 30 FHEDHM N#CCCSc1ccccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737695939 598511959 /nfs/dbraw/zinc/51/19/59/598511959.db2.gz XQNONJMMBKAKSJ-UHFFFAOYSA-N -1 3 365.422 3.516 20 30 FHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000737799443 598537790 /nfs/dbraw/zinc/53/77/90/598537790.db2.gz OMTMCFLACSFJDR-BQYQJAHWSA-N -1 3 360.295 3.661 20 30 FHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000737799443 598537792 /nfs/dbraw/zinc/53/77/92/598537792.db2.gz OMTMCFLACSFJDR-BQYQJAHWSA-N -1 3 360.295 3.661 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(Cl)c(F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202803 598639372 /nfs/dbraw/zinc/63/93/72/598639372.db2.gz OGGLPFAKIMZROR-ALCCZGGFSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(Cl)c(F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202803 598639373 /nfs/dbraw/zinc/63/93/73/598639373.db2.gz OGGLPFAKIMZROR-ALCCZGGFSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1c(C(=O)C=Cc2cc(C)c(C)cc2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737247584 598639446 /nfs/dbraw/zinc/63/94/46/598639446.db2.gz YBUZKAPBLSNOKU-FPLPWBNLSA-N -1 3 361.449 3.744 20 30 FHEDHM Cc1c(C(=O)C=Cc2cc(C)c(C)cc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737247584 598639448 /nfs/dbraw/zinc/63/94/48/598639448.db2.gz YBUZKAPBLSNOKU-FPLPWBNLSA-N -1 3 361.449 3.744 20 30 FHEDHM CC(C)(C)c1ccc(C=NOCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000735648507 598673945 /nfs/dbraw/zinc/67/39/45/598673945.db2.gz GWVHTMUXLSZAAJ-UHFFFAOYSA-N -1 3 353.401 3.854 20 30 FHEDHM CC(C)(C)c1ccc(C=NOCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000735648507 598673946 /nfs/dbraw/zinc/67/39/46/598673946.db2.gz GWVHTMUXLSZAAJ-UHFFFAOYSA-N -1 3 353.401 3.854 20 30 FHEDHM CCCCCCCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736445689 598745228 /nfs/dbraw/zinc/74/52/28/598745228.db2.gz MEEXFNTYMDARET-UHFFFAOYSA-N -1 3 371.485 3.597 20 30 FHEDHM C[C@H](SCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736187916 599325953 /nfs/dbraw/zinc/32/59/53/599325953.db2.gz DBNKTSHGCUJJSU-ZDUSSCGKSA-N -1 3 351.435 3.612 20 30 FHEDHM c1ccc2nc(N=NC3CCCc4cc(-c5nn[n-]n5)ccc43)ccc2c1 ZINC000823801748 599333967 /nfs/dbraw/zinc/33/39/67/599333967.db2.gz ACIPJJQGJQPGIB-UHFFFAOYSA-N -1 3 355.405 3.567 20 30 FHEDHM Cc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)cc1C ZINC000822198640 599337737 /nfs/dbraw/zinc/33/77/37/599337737.db2.gz DCOLIKYICFKIII-UHFFFAOYSA-N -1 3 358.352 3.531 20 30 FHEDHM CCC[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821007546 599620407 /nfs/dbraw/zinc/62/04/07/599620407.db2.gz AIQNYVRMZSEYPK-FZMZJTMJSA-N -1 3 366.450 3.603 20 30 FHEDHM CCC[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821007546 599620408 /nfs/dbraw/zinc/62/04/08/599620408.db2.gz AIQNYVRMZSEYPK-FZMZJTMJSA-N -1 3 366.450 3.603 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000822923017 599691513 /nfs/dbraw/zinc/69/15/13/599691513.db2.gz MPFZIPKBOBQJGQ-KMKOMSMNSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000822923017 599691514 /nfs/dbraw/zinc/69/15/14/599691514.db2.gz MPFZIPKBOBQJGQ-KMKOMSMNSA-N -1 3 353.385 3.825 20 30 FHEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000739105607 600565302 /nfs/dbraw/zinc/56/53/02/600565302.db2.gz NDIDJZIOSICFTN-LJQANCHMSA-N -1 3 372.371 3.506 20 30 FHEDHM Cc1ccc(C(=O)C2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000738503433 600565358 /nfs/dbraw/zinc/56/53/58/600565358.db2.gz OALXCHLVNYSUPH-FQEVSTJZSA-N -1 3 362.429 3.587 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822424521 607458368 /nfs/dbraw/zinc/45/83/68/607458368.db2.gz WTFFNFJGBWXDBP-FPLPWBNLSA-N -1 3 371.441 3.964 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822424521 607458370 /nfs/dbraw/zinc/45/83/70/607458370.db2.gz WTFFNFJGBWXDBP-FPLPWBNLSA-N -1 3 371.441 3.964 20 30 FHEDHM O=C1c2cc(F)ccc2SCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823503040 607458924 /nfs/dbraw/zinc/45/89/24/607458924.db2.gz AMXZJZARAHKCDJ-WZUFQYTHSA-N -1 3 356.357 3.517 20 30 FHEDHM O=C1c2cc(F)ccc2SCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503040 607458925 /nfs/dbraw/zinc/45/89/25/607458925.db2.gz AMXZJZARAHKCDJ-WZUFQYTHSA-N -1 3 356.357 3.517 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2s1 ZINC000822924133 607459029 /nfs/dbraw/zinc/45/90/29/607459029.db2.gz YGAAWOZFJXVDMF-BQYQJAHWSA-N -1 3 351.366 3.512 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2s1 ZINC000822924133 607459030 /nfs/dbraw/zinc/45/90/30/607459030.db2.gz YGAAWOZFJXVDMF-BQYQJAHWSA-N -1 3 351.366 3.512 20 30 FHEDHM N#Cc1cccc([C@H](NCc2ccc(F)cc2C(F)(F)F)C(=O)[O-])c1 ZINC000833075274 601301281 /nfs/dbraw/zinc/30/12/81/601301281.db2.gz JRZAKNXJAZCDPY-HNNXBMFYSA-N -1 3 352.287 3.632 20 30 FHEDHM N#Cc1cccc([C@H](NCc2ccc(OC3CCCC3)cc2)C(=O)[O-])c1 ZINC000833076165 601304706 /nfs/dbraw/zinc/30/47/06/601304706.db2.gz REYCCZSTRILSMX-FQEVSTJZSA-N -1 3 350.418 3.795 20 30 FHEDHM Cc1c(C(=O)C=Cc2coc3ccccc23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234285 607528722 /nfs/dbraw/zinc/52/87/22/607528722.db2.gz OVOJSFNHCXCYQX-HJWRWDBZSA-N -1 3 359.389 3.565 20 30 FHEDHM Cc1c(C(=O)C=Cc2coc3ccccc23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234285 607528723 /nfs/dbraw/zinc/52/87/23/607528723.db2.gz OVOJSFNHCXCYQX-HJWRWDBZSA-N -1 3 359.389 3.565 20 30 FHEDHM COc1cccc(C=C2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832545258 602230713 /nfs/dbraw/zinc/23/07/13/602230713.db2.gz CJLLEKZRGJCKAD-NRFANRHFSA-N -1 3 362.429 3.872 20 30 FHEDHM Cc1c(C(=O)C=CC=Cc2ccc(F)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234033 607646457 /nfs/dbraw/zinc/64/64/57/607646457.db2.gz FLBJBNREGYUCSX-WVORFHHMSA-N -1 3 363.396 3.514 20 30 FHEDHM Cc1c(C(=O)C=CC=Cc2ccc(F)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234033 607646459 /nfs/dbraw/zinc/64/64/59/607646459.db2.gz FLBJBNREGYUCSX-WVORFHHMSA-N -1 3 363.396 3.514 20 30 FHEDHM C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823647821 604225663 /nfs/dbraw/zinc/22/56/63/604225663.db2.gz OGNXFLRASVHGNQ-QEORTHHSSA-N -1 3 363.373 3.649 20 30 FHEDHM C[C@@H](Oc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1)C(=O)[O-] ZINC000833538971 604774642 /nfs/dbraw/zinc/77/46/42/604774642.db2.gz FBDDSLKAIRPMNT-MRXNPFEDSA-N -1 3 362.429 3.699 20 30 FHEDHM CC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000827513764 605188249 /nfs/dbraw/zinc/18/82/49/605188249.db2.gz CULWCKBUDUGGKZ-BDAKNGLRSA-N -1 3 371.340 3.538 20 30 FHEDHM CC(C)C[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000833795745 606021338 /nfs/dbraw/zinc/02/13/38/606021338.db2.gz UZBKJHGKAXXMNN-PWSUYJOCSA-N -1 3 365.842 3.808 20 30 FHEDHM C=C(Cl)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819729499 606276539 /nfs/dbraw/zinc/27/65/39/606276539.db2.gz HXSCIIICQZMIJS-UHFFFAOYSA-N -1 3 371.853 3.500 20 30 FHEDHM C=C(Cl)CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819729499 606276541 /nfs/dbraw/zinc/27/65/41/606276541.db2.gz HXSCIIICQZMIJS-UHFFFAOYSA-N -1 3 371.853 3.500 20 30 FHEDHM CSc1ccc2c(c1)CCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000821984871 606305795 /nfs/dbraw/zinc/30/57/95/606305795.db2.gz VRRQTWTVXFAUKM-XFFZJAGNSA-N -1 3 354.460 3.863 20 30 FHEDHM CSc1ccc2c(c1)CCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000821984871 606305797 /nfs/dbraw/zinc/30/57/97/606305797.db2.gz VRRQTWTVXFAUKM-XFFZJAGNSA-N -1 3 354.460 3.863 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1c[nH]c2cc(Cl)ccc12 ZINC000822923012 606306114 /nfs/dbraw/zinc/30/61/14/606306114.db2.gz MNWHVOQGIPUAKE-RQOWECAXSA-N -1 3 355.810 3.959 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1c[nH]c2cc(Cl)ccc12 ZINC000822923012 606306116 /nfs/dbraw/zinc/30/61/16/606306116.db2.gz MNWHVOQGIPUAKE-RQOWECAXSA-N -1 3 355.810 3.959 20 30 FHEDHM C=CCCCC(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000819734538 606314624 /nfs/dbraw/zinc/31/46/24/606314624.db2.gz QHCOIWIFPRTXCY-UHFFFAOYSA-N -1 3 364.409 3.657 20 30 FHEDHM O=C1c2c([nH]c3ccc(F)cc32)CCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823505025 606391438 /nfs/dbraw/zinc/39/14/38/606391438.db2.gz XAVFNHKZHSMZAA-VQHVLOKHSA-N -1 3 365.393 3.761 20 30 FHEDHM C=CC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819734510 606791454 /nfs/dbraw/zinc/79/14/54/606791454.db2.gz PMQRVSGUPGBRFK-AWEZNQCLSA-N -1 3 363.421 3.662 20 30 FHEDHM C=CC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819734510 606791455 /nfs/dbraw/zinc/79/14/55/606791455.db2.gz PMQRVSGUPGBRFK-AWEZNQCLSA-N -1 3 363.421 3.662 20 30 FHEDHM C=C[C@H](C)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000819729270 606813744 /nfs/dbraw/zinc/81/37/44/606813744.db2.gz FXNXLZFAZLXUAH-NSHDSACASA-N -1 3 369.812 3.617 20 30 FHEDHM C=C[C@H](C)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000819729270 606813746 /nfs/dbraw/zinc/81/37/46/606813746.db2.gz FXNXLZFAZLXUAH-NSHDSACASA-N -1 3 369.812 3.617 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822259049 606820872 /nfs/dbraw/zinc/82/08/72/606820872.db2.gz KXNWMOYYQYFLEU-ONEGZZNKSA-N -1 3 362.361 3.734 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822259049 606820874 /nfs/dbraw/zinc/82/08/74/606820874.db2.gz KXNWMOYYQYFLEU-ONEGZZNKSA-N -1 3 362.361 3.734 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822259096 606820929 /nfs/dbraw/zinc/82/09/29/606820929.db2.gz MIURSJJRDCMXJO-SREVYHEPSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822259096 606820931 /nfs/dbraw/zinc/82/09/31/606820931.db2.gz MIURSJJRDCMXJO-SREVYHEPSA-N -1 3 356.332 3.673 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCCC1(C)C ZINC000819744129 606873777 /nfs/dbraw/zinc/87/37/77/606873777.db2.gz XJUZTFWICPZIRJ-KRWDZBQOSA-N -1 3 368.485 3.533 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCCC1(C)C ZINC000819744129 606873779 /nfs/dbraw/zinc/87/37/79/606873779.db2.gz XJUZTFWICPZIRJ-KRWDZBQOSA-N -1 3 368.485 3.533 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1F ZINC000822924283 607122959 /nfs/dbraw/zinc/12/29/59/607122959.db2.gz ZTRGAUNITQHRHT-BAQGIRSFSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1F ZINC000822924283 607122962 /nfs/dbraw/zinc/12/29/62/607122962.db2.gz ZTRGAUNITQHRHT-BAQGIRSFSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)c(F)c1 ZINC000822923194 607122986 /nfs/dbraw/zinc/12/29/86/607122986.db2.gz NZHRGJSDYBBMCJ-BAQGIRSFSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)c(F)c1 ZINC000822923194 607122987 /nfs/dbraw/zinc/12/29/87/607122987.db2.gz NZHRGJSDYBBMCJ-BAQGIRSFSA-N -1 3 373.185 3.664 20 30 FHEDHM Cc1c(C(=O)C=Cc2cc(Cl)ccc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234037 607807833 /nfs/dbraw/zinc/80/78/33/607807833.db2.gz FQBAJBPGMRBJDD-QPJJXVBHSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1c(C(=O)C=Cc2cc(Cl)ccc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234037 607807834 /nfs/dbraw/zinc/80/78/34/607807834.db2.gz FQBAJBPGMRBJDD-QPJJXVBHSA-N -1 3 371.803 3.611 20 30 FHEDHM Fc1ccc(C(F)(F)F)cc1NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826371547 607817247 /nfs/dbraw/zinc/81/72/47/607817247.db2.gz KPAPBHNJCBAPIA-UHFFFAOYSA-N -1 3 368.269 3.610 20 30 FHEDHM Fc1ccc(C(F)(F)F)cc1NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826371547 607817248 /nfs/dbraw/zinc/81/72/48/607817248.db2.gz KPAPBHNJCBAPIA-UHFFFAOYSA-N -1 3 368.269 3.610 20 30 FHEDHM CC(C)(CCC#N)CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824153037 607888341 /nfs/dbraw/zinc/88/83/41/607888341.db2.gz YZKAJCWCXDGZFQ-UHFFFAOYSA-N -1 3 351.336 3.613 20 30 FHEDHM CC(C)(CCC#N)CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824153037 607888342 /nfs/dbraw/zinc/88/83/42/607888342.db2.gz YZKAJCWCXDGZFQ-UHFFFAOYSA-N -1 3 351.336 3.613 20 30 FHEDHM CCCCCCCCC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825271498 608085987 /nfs/dbraw/zinc/08/59/87/608085987.db2.gz KLDCPNFMTGAZLV-GOSISDBHSA-N -1 3 371.485 3.517 20 30 FHEDHM CCCCCCCCC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825271498 608085988 /nfs/dbraw/zinc/08/59/88/608085988.db2.gz KLDCPNFMTGAZLV-GOSISDBHSA-N -1 3 371.485 3.517 20 30 FHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1cccc(-c2nnn[n-]2)c1)CC3 ZINC000826212422 608229251 /nfs/dbraw/zinc/22/92/51/608229251.db2.gz PKLGLZYKZIXVIS-LCYFTJDESA-N -1 3 371.400 3.569 20 30 FHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1cccc(-c2nn[n-]n2)c1)CC3 ZINC000826212422 608229254 /nfs/dbraw/zinc/22/92/54/608229254.db2.gz PKLGLZYKZIXVIS-LCYFTJDESA-N -1 3 371.400 3.569 20 30 FHEDHM C=CCC[C@@H](C)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823894882 608275210 /nfs/dbraw/zinc/27/52/10/608275210.db2.gz ZANRCJPEWJADJG-CYBMUJFWSA-N -1 3 365.393 3.566 20 30 FHEDHM C=CCC[C@@H](C)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823894882 608275211 /nfs/dbraw/zinc/27/52/11/608275211.db2.gz ZANRCJPEWJADJG-CYBMUJFWSA-N -1 3 365.393 3.566 20 30 FHEDHM N#Cc1ccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1Cl ZINC000826385178 608442729 /nfs/dbraw/zinc/44/27/29/608442729.db2.gz AHDHZNDGIBWIAQ-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM N#Cc1ccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1Cl ZINC000826385178 608442730 /nfs/dbraw/zinc/44/27/30/608442730.db2.gz AHDHZNDGIBWIAQ-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826273782 609269773 /nfs/dbraw/zinc/26/97/73/609269773.db2.gz UFCXWXNXKOEYGN-CLFYSBASSA-N -1 3 374.379 3.600 20 30 FHEDHM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826273782 609269775 /nfs/dbraw/zinc/26/97/75/609269775.db2.gz UFCXWXNXKOEYGN-CLFYSBASSA-N -1 3 374.379 3.600 20 30 FHEDHM CCc1cccc2c(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)c[nH]c21 ZINC000825722747 609271700 /nfs/dbraw/zinc/27/17/00/609271700.db2.gz LRCKUCYKXLONLI-VQHVLOKHSA-N -1 3 361.380 3.946 20 30 FHEDHM CCc1cccc2c(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)c[nH]c21 ZINC000825722747 609271701 /nfs/dbraw/zinc/27/17/01/609271701.db2.gz LRCKUCYKXLONLI-VQHVLOKHSA-N -1 3 361.380 3.946 20 30 FHEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000824141448 609273668 /nfs/dbraw/zinc/27/36/68/609273668.db2.gz HHJABSPBMNVSKZ-FNORWQNLSA-N -1 3 357.414 3.656 20 30 FHEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000824141448 609273669 /nfs/dbraw/zinc/27/36/69/609273669.db2.gz HHJABSPBMNVSKZ-FNORWQNLSA-N -1 3 357.414 3.656 20 30 FHEDHM CC(=NNc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958150 609277290 /nfs/dbraw/zinc/27/72/90/609277290.db2.gz FHTGSSSGCDQFSG-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM CC(=NNc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958150 609277291 /nfs/dbraw/zinc/27/72/91/609277291.db2.gz FHTGSSSGCDQFSG-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM C=C(C)CN(C)C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823872822 609345739 /nfs/dbraw/zinc/34/57/39/609345739.db2.gz FARDEZPMYXSIKH-UHFFFAOYSA-N -1 3 365.462 3.666 20 30 FHEDHM C=C(C)CN(C)C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823872822 609345741 /nfs/dbraw/zinc/34/57/41/609345741.db2.gz FARDEZPMYXSIKH-UHFFFAOYSA-N -1 3 365.462 3.666 20 30 FHEDHM Clc1ccc(C2CC(N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)C2)cc1 ZINC000826351746 609470034 /nfs/dbraw/zinc/47/00/34/609470034.db2.gz YTUGUUXQAQDYCE-UHFFFAOYSA-N -1 3 374.235 3.914 20 30 FHEDHM Clc1ccc(C2CC(N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)C2)cc1 ZINC000826351746 609470037 /nfs/dbraw/zinc/47/00/37/609470037.db2.gz YTUGUUXQAQDYCE-UHFFFAOYSA-N -1 3 374.235 3.914 20 30 FHEDHM Clc1cc(NN=Cc2coc(-c3ccccc3)n2)ccc1-c1nnn[n-]1 ZINC000826351641 609471923 /nfs/dbraw/zinc/47/19/23/609471923.db2.gz USGRZKYJWWCYNL-UHFFFAOYSA-N -1 3 365.784 3.621 20 30 FHEDHM Clc1cc(NN=Cc2coc(-c3ccccc3)n2)ccc1-c1nn[n-]n1 ZINC000826351641 609471925 /nfs/dbraw/zinc/47/19/25/609471925.db2.gz USGRZKYJWWCYNL-UHFFFAOYSA-N -1 3 365.784 3.621 20 30 FHEDHM C#CCCCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823841664 609507743 /nfs/dbraw/zinc/50/77/43/609507743.db2.gz RQCBXDIQFHVMAC-UHFFFAOYSA-N -1 3 357.483 3.719 20 30 FHEDHM C#CCCCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823841664 609507744 /nfs/dbraw/zinc/50/77/44/609507744.db2.gz RQCBXDIQFHVMAC-UHFFFAOYSA-N -1 3 357.483 3.719 20 30 FHEDHM N#CC(=C([O-])c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccn1 ZINC000122013347 936364889 /nfs/dbraw/zinc/36/48/89/936364889.db2.gz LQEFGDCMOOKQJE-GOSISDBHSA-N -1 3 365.396 3.819 20 30 FHEDHM C=CC[C@H]1N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCC1(C)C ZINC000278160783 937279686 /nfs/dbraw/zinc/27/96/86/937279686.db2.gz CBHKQKKWZPCMNY-GOSISDBHSA-N -1 3 355.482 3.802 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@H](C)C1CCCCC1 ZINC000176681726 937349564 /nfs/dbraw/zinc/34/95/64/937349564.db2.gz GECJBCXSXFULCU-DZGCQCFKSA-N -1 3 357.498 3.517 20 30 FHEDHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)c3cccc(C#N)c3)cc2)cc(=O)[n-]1 ZINC000610320942 929919025 /nfs/dbraw/zinc/91/90/25/929919025.db2.gz PFZVDBYRFDRLFR-CYBMUJFWSA-N -1 3 373.416 3.912 20 30 FHEDHM C[S@@](=O)Cc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255387671 932987661 /nfs/dbraw/zinc/98/76/61/932987661.db2.gz ZCRLHVBLKXPSAR-HXUWFJFHSA-N -1 3 352.253 3.784 20 30 FHEDHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccccc2)cc1OCCCC#N ZINC000277181653 934760288 /nfs/dbraw/zinc/76/02/88/934760288.db2.gz FJZHONPRRDGDRQ-GOSISDBHSA-N -1 3 368.433 3.683 20 30 FHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(Cn3cncn3)cc2)s1 ZINC000684676141 934903481 /nfs/dbraw/zinc/90/34/81/934903481.db2.gz VKJDSDYDUYJQMF-OAHLLOKOSA-N -1 3 365.462 3.570 20 30 FHEDHM N#CCCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000431624731 939013966 /nfs/dbraw/zinc/01/39/66/939013966.db2.gz XDMJDEHGVJPJDO-MRXNPFEDSA-N -1 3 350.390 3.678 20 30 FHEDHM COCCCOc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647378277 939078484 /nfs/dbraw/zinc/07/84/84/939078484.db2.gz KYPYRCDEGUJRDZ-INIZCTEOSA-N -1 3 356.447 3.926 20 30 FHEDHM CCCc1c(NC(=O)c2cc(C)ccc2[O-])cnn1-c1cccc(C#N)c1 ZINC000440083902 945228324 /nfs/dbraw/zinc/22/83/24/945228324.db2.gz YNQXASDVAINYLD-UHFFFAOYSA-N -1 3 360.417 3.963 20 30 FHEDHM Cc1ccc2oc(C([O-])=C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)cc2n1 ZINC000179617179 939896731 /nfs/dbraw/zinc/89/67/31/939896731.db2.gz YNKDZZCESHQFSS-LLVKDONJSA-N -1 3 371.755 3.890 20 30 FHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(F)ncc1C ZINC000892494462 940055137 /nfs/dbraw/zinc/05/51/37/940055137.db2.gz FCFMNHGQNKUMSO-MRXNPFEDSA-N -1 3 353.397 3.615 20 30 FHEDHM COc1cc(C(=O)/C=C/c2cn3cc(Cl)ccc3n2)c(OC)cc1[O-] ZINC000177906919 940481103 /nfs/dbraw/zinc/48/11/03/940481103.db2.gz BKDPYFWJLYWYJG-SNAWJCMRSA-N -1 3 358.781 3.607 20 30 FHEDHM COc1cc(C(=O)/C=C/c2cc(Cl)cc3c2OCC3)c(OC)cc1[O-] ZINC000782889320 941162555 /nfs/dbraw/zinc/16/25/55/941162555.db2.gz GREJFGJJIGRWTB-ONEGZZNKSA-N -1 3 360.793 3.894 20 30 FHEDHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3ccc(C#N)cc3)cc2)cc(=O)[n-]1 ZINC000509920697 941805971 /nfs/dbraw/zinc/80/59/71/941805971.db2.gz UTLRSQRZDBDIHS-UHFFFAOYSA-N -1 3 373.416 3.693 20 30 FHEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1cccc(Cl)c1 ZINC000041481236 942399720 /nfs/dbraw/zinc/39/97/20/942399720.db2.gz WOJQOKZOTPXJDW-HNNXBMFYSA-N -1 3 350.809 3.973 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416303061 942633005 /nfs/dbraw/zinc/63/30/05/942633005.db2.gz GPAQBNGQCJZKPR-MSOLQXFVSA-N -1 3 357.498 3.882 20 30 FHEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000416528262 942911086 /nfs/dbraw/zinc/91/10/86/942911086.db2.gz HIZRXADSKGSOQQ-UHFFFAOYSA-N -1 3 354.781 3.577 20 30 FHEDHM N#CC(=C([O-])c1cnc(C2CC2)nc1)c1nc2ccccc2n1C(F)F ZINC000515038563 943466447 /nfs/dbraw/zinc/46/64/47/943466447.db2.gz OIYBGRUYCRDENF-LBPRGKRZSA-N -1 3 353.332 3.589 20 30 FHEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000435591786 943507894 /nfs/dbraw/zinc/50/78/94/943507894.db2.gz HDTUXGFYYFQRFJ-BXUZGUMPSA-N -1 3 364.294 3.561 20 30 FHEDHM COc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)cc1OCCCC#N ZINC000417671844 943814201 /nfs/dbraw/zinc/81/42/01/943814201.db2.gz RKHGUORXBFGQJZ-UHFFFAOYSA-N -1 3 368.433 3.674 20 30 FHEDHM COCCSc1ccc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000728786318 944199433 /nfs/dbraw/zinc/19/94/33/944199433.db2.gz YOLKDBOAYLKKPO-SRRANQMSSA-N -1 3 360.479 3.507 20 30 FHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(SCc2cccs2)s1 ZINC000438260055 944442954 /nfs/dbraw/zinc/44/29/54/944442954.db2.gz QIDYPFOJUVJHFF-UHFFFAOYSA-N -1 3 362.461 3.917 20 30 FHEDHM CC(C)c1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)c([O-])c1 ZINC000436940202 944827070 /nfs/dbraw/zinc/82/70/70/944827070.db2.gz UYTIULPDALFFST-UHFFFAOYSA-N -1 3 352.434 3.676 20 30 FHEDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000546176572 945490043 /nfs/dbraw/zinc/49/00/43/945490043.db2.gz FKZRSHLZFFTNPJ-VIFPVBQESA-N -1 3 374.306 3.586 20 30 FHEDHM N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000473636365 945655587 /nfs/dbraw/zinc/65/55/87/945655587.db2.gz DXDYTGFRTLAVHP-UHFFFAOYSA-N -1 3 363.348 3.520 20 30 FHEDHM N#CC(=C([O-])c1cnn(-c2ccc(Cl)cc2)c1)c1nc2ccccc2[nH]1 ZINC000048813522 945796070 /nfs/dbraw/zinc/79/60/70/945796070.db2.gz USTJWCAZTDYXBX-OAHLLOKOSA-N -1 3 361.792 3.892 20 30 FHEDHM N#C[C@@H](Oc1cccc([O-])c1I)c1ccccc1F ZINC001227377133 945846525 /nfs/dbraw/zinc/84/65/25/945846525.db2.gz BTPJMVWTFQZXMW-CYBMUJFWSA-N -1 3 369.133 3.780 20 30 FHEDHM CCOc1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cc1[N+](=O)[O-] ZINC000522829047 945939360 /nfs/dbraw/zinc/93/93/60/945939360.db2.gz LCXUCOVIUSVVMF-ZDUSSCGKSA-N -1 3 364.361 3.668 20 30 FHEDHM C=CCN(CC(F)(F)F)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000520167072 946231924 /nfs/dbraw/zinc/23/19/24/946231924.db2.gz DESFWHJSRCYBDS-UHFFFAOYSA-N -1 3 366.343 3.740 20 30 FHEDHM C=CCCC[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000823894476 946503197 /nfs/dbraw/zinc/50/31/97/946503197.db2.gz REEBICBRZJKEQM-OAHLLOKOSA-N -1 3 356.474 3.532 20 30 FHEDHM C=CCCC[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000823894476 946503212 /nfs/dbraw/zinc/50/32/12/946503212.db2.gz REEBICBRZJKEQM-OAHLLOKOSA-N -1 3 356.474 3.532 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(C)c1F ZINC000823909479 946512670 /nfs/dbraw/zinc/51/26/70/946512670.db2.gz FTORWNMSZASCLZ-UHFFFAOYSA-N -1 3 366.400 3.534 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(C)c1F ZINC000823909479 946512680 /nfs/dbraw/zinc/51/26/80/946512680.db2.gz FTORWNMSZASCLZ-UHFFFAOYSA-N -1 3 366.400 3.534 20 30 FHEDHM CC(C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000824324534 946659361 /nfs/dbraw/zinc/65/93/61/946659361.db2.gz OTGKVMTVAAMJAF-BJMVGYQFSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000824324534 946659371 /nfs/dbraw/zinc/65/93/71/946659371.db2.gz OTGKVMTVAAMJAF-BJMVGYQFSA-N -1 3 352.369 3.689 20 30 FHEDHM COc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1[O-] ZINC000121444494 946744720 /nfs/dbraw/zinc/74/47/20/946744720.db2.gz VIPDVDWDSJBEMQ-UHFFFAOYSA-N -1 3 365.414 3.572 20 30 FHEDHM C#C[C@H]1CC[C@H](Nc2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)CC1 ZINC001573287467 946838113 /nfs/dbraw/zinc/83/81/13/946838113.db2.gz CCRPHNRQNUQFPL-SHTZXODSSA-N -1 3 371.448 3.580 20 30 FHEDHM C#C[C@H]1CC[C@H](Nc2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)CC1 ZINC001573287467 946838126 /nfs/dbraw/zinc/83/81/26/946838126.db2.gz CCRPHNRQNUQFPL-SHTZXODSSA-N -1 3 371.448 3.580 20 30 FHEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000487471335 947163764 /nfs/dbraw/zinc/16/37/64/947163764.db2.gz JFASRANXVKXQLF-GOSISDBHSA-N -1 3 351.406 3.516 20 30 FHEDHM C=CCC(F)(F)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@@H](C)CC2 ZINC001573325394 947356475 /nfs/dbraw/zinc/35/64/75/947356475.db2.gz BAWNAZFFDXIYAG-IUCAKERBSA-N -1 3 367.425 3.764 20 30 FHEDHM C=CCC(F)(F)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@@H](C)CC2 ZINC001573325394 947356490 /nfs/dbraw/zinc/35/64/90/947356490.db2.gz BAWNAZFFDXIYAG-IUCAKERBSA-N -1 3 367.425 3.764 20 30 FHEDHM C=CCC1(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCCC1 ZINC001573328929 947416542 /nfs/dbraw/zinc/41/65/42/947416542.db2.gz FAJPXMQDBVWDLZ-UHFFFAOYSA-N -1 3 355.442 3.729 20 30 FHEDHM C=CCC1(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCCC1 ZINC001573328929 947416548 /nfs/dbraw/zinc/41/65/48/947416548.db2.gz FAJPXMQDBVWDLZ-UHFFFAOYSA-N -1 3 355.442 3.729 20 30 FHEDHM C=CC[C@@H]1N(C(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)CCCC1(C)C ZINC001573329422 947421051 /nfs/dbraw/zinc/42/10/51/947421051.db2.gz JXDFRERYVHJALI-INIZCTEOSA-N -1 3 353.470 3.690 20 30 FHEDHM C=CC[C@@H]1N(C(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)CCCC1(C)C ZINC001573329422 947421057 /nfs/dbraw/zinc/42/10/57/947421057.db2.gz JXDFRERYVHJALI-INIZCTEOSA-N -1 3 353.470 3.690 20 30 FHEDHM O=C([O-])CC[C@H](CNCc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000663262982 947592251 /nfs/dbraw/zinc/59/22/51/947592251.db2.gz WOVNRPIZMLEGCG-SNVBAGLBSA-N -1 3 361.257 3.977 20 30 FHEDHM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826273560 947792090 /nfs/dbraw/zinc/79/20/90/947792090.db2.gz JKMDLCBMSYHONZ-CLFYSBASSA-N -1 3 374.379 3.600 20 30 FHEDHM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826273560 947792099 /nfs/dbraw/zinc/79/20/99/947792099.db2.gz JKMDLCBMSYHONZ-CLFYSBASSA-N -1 3 374.379 3.600 20 30 FHEDHM C=CCC[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001460788387 948526279 /nfs/dbraw/zinc/52/62/79/948526279.db2.gz SQLZAWVEYDQVEJ-HNNXBMFYSA-N -1 3 351.385 3.694 20 30 FHEDHM C=CCC[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001460788387 948526285 /nfs/dbraw/zinc/52/62/85/948526285.db2.gz SQLZAWVEYDQVEJ-HNNXBMFYSA-N -1 3 351.385 3.694 20 30 FHEDHM COc1ccnc(OC)c1C(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000602264932 567961332 /nfs/dbraw/zinc/96/13/32/567961332.db2.gz YJFVVEKPQDQPFM-LBPRGKRZSA-N -1 3 357.435 3.603 20 30 FHEDHM CCc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c([O-])c1 ZINC000436662158 568253370 /nfs/dbraw/zinc/25/33/70/568253370.db2.gz FOWGRYPWVVTECO-UHFFFAOYSA-N -1 3 368.408 3.649 20 30 FHEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1C ZINC000032591317 568392639 /nfs/dbraw/zinc/39/26/39/568392639.db2.gz IRROLOUSIBTIQT-UHFFFAOYSA-N -1 3 358.463 3.996 20 30 FHEDHM Clc1ccc2c(c1)C(=NNc1cccc(-c3nnn[n-]3)c1)CCCO2 ZINC000737575440 598862048 /nfs/dbraw/zinc/86/20/48/598862048.db2.gz WKKLJCZIXXXKIK-UHFFFAOYSA-N -1 3 354.801 3.509 20 30 FHEDHM Clc1ccc2c(c1)C(=NNc1cccc(-c3nn[n-]n3)c1)CCCO2 ZINC000737575440 598862051 /nfs/dbraw/zinc/86/20/51/598862051.db2.gz WKKLJCZIXXXKIK-UHFFFAOYSA-N -1 3 354.801 3.509 20 30 FHEDHM CCCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821133825 599112885 /nfs/dbraw/zinc/11/28/85/599112885.db2.gz GCJGRZYTVBVUHJ-VBKFSLOCSA-N -1 3 360.417 3.868 20 30 FHEDHM CCCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821133825 599112887 /nfs/dbraw/zinc/11/28/87/599112887.db2.gz GCJGRZYTVBVUHJ-VBKFSLOCSA-N -1 3 360.417 3.868 20 30 FHEDHM N#CCOc1ccc(Cl)cc1CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737697461 599237905 /nfs/dbraw/zinc/23/79/05/599237905.db2.gz GUWNNHALAMIFRJ-UHFFFAOYSA-N -1 3 371.853 3.856 20 30 FHEDHM N#CCOc1ccc(Cl)cc1CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737697461 599237908 /nfs/dbraw/zinc/23/79/08/599237908.db2.gz GUWNNHALAMIFRJ-UHFFFAOYSA-N -1 3 371.853 3.856 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)cc(F)c1 ZINC000819745509 607319204 /nfs/dbraw/zinc/31/92/04/607319204.db2.gz GXAGDIQAZJQMDD-UHFFFAOYSA-N -1 3 366.400 3.534 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)cc(F)c1 ZINC000819745509 607319205 /nfs/dbraw/zinc/31/92/05/607319205.db2.gz GXAGDIQAZJQMDD-UHFFFAOYSA-N -1 3 366.400 3.534 20 30 FHEDHM CC(C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2)=Cc1ccccc1 ZINC000735964300 598376679 /nfs/dbraw/zinc/37/66/79/598376679.db2.gz XKOHXLQFMDYKHR-XVTLYKPTSA-N -1 3 359.433 3.765 20 30 FHEDHM CC(C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2)=Cc1ccccc1 ZINC000735964300 598376680 /nfs/dbraw/zinc/37/66/80/598376680.db2.gz XKOHXLQFMDYKHR-XVTLYKPTSA-N -1 3 359.433 3.765 20 30 FHEDHM Cc1cc2c(c(C)c1Cl)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1)CO2 ZINC000737284904 598512529 /nfs/dbraw/zinc/51/25/29/598512529.db2.gz OYNPZDNWYSJQKP-RIYZIHGNSA-N -1 3 366.808 3.796 20 30 FHEDHM Cc1cc2c(c(C)c1Cl)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)CO2 ZINC000737284904 598512530 /nfs/dbraw/zinc/51/25/30/598512530.db2.gz OYNPZDNWYSJQKP-RIYZIHGNSA-N -1 3 366.808 3.796 20 30 FHEDHM Cc1cc2c(c(C)c1Cl)C(=O)C(=Cc1cccc(-c3nnn[n-]3)c1)CO2 ZINC000737285295 598512656 /nfs/dbraw/zinc/51/26/56/598512656.db2.gz QHWQOSDJJVKFIL-RIYZIHGNSA-N -1 3 366.808 3.796 20 30 FHEDHM Cc1cc2c(c(C)c1Cl)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)CO2 ZINC000737285295 598512658 /nfs/dbraw/zinc/51/26/58/598512658.db2.gz QHWQOSDJJVKFIL-RIYZIHGNSA-N -1 3 366.808 3.796 20 30 FHEDHM Fc1ccc(CON=Cc2cccc(Cl)c2Cl)c(-c2nnn[n-]2)c1 ZINC000737649544 598674827 /nfs/dbraw/zinc/67/48/27/598674827.db2.gz PICSFYQMGJXGPY-UHFFFAOYSA-N -1 3 366.183 3.863 20 30 FHEDHM Fc1ccc(CON=Cc2cccc(Cl)c2Cl)c(-c2nn[n-]n2)c1 ZINC000737649544 598674829 /nfs/dbraw/zinc/67/48/29/598674829.db2.gz PICSFYQMGJXGPY-UHFFFAOYSA-N -1 3 366.183 3.863 20 30 FHEDHM C[C@@H](SCCOc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188176 599325568 /nfs/dbraw/zinc/32/55/68/599325568.db2.gz ILMKLSPQYGHYNU-CYBMUJFWSA-N -1 3 351.435 3.612 20 30 FHEDHM C[C@@H](SCCOc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188176 599325570 /nfs/dbraw/zinc/32/55/70/599325570.db2.gz ILMKLSPQYGHYNU-CYBMUJFWSA-N -1 3 351.435 3.612 20 30 FHEDHM N#Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(F)c1 ZINC000737717284 599334188 /nfs/dbraw/zinc/33/41/88/599334188.db2.gz BWNGDNNKUZUOMA-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(F)c1 ZINC000737717284 599334189 /nfs/dbraw/zinc/33/41/89/599334189.db2.gz BWNGDNNKUZUOMA-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM N#Cc1ccc(Cl)cc1NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737719983 599398085 /nfs/dbraw/zinc/39/80/85/599398085.db2.gz YZMZDXALTISHLD-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM N#Cc1ccc(Cl)cc1NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737719983 599398089 /nfs/dbraw/zinc/39/80/89/599398089.db2.gz YZMZDXALTISHLD-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2ccccc2c1 ZINC000737809386 599458987 /nfs/dbraw/zinc/45/89/87/599458987.db2.gz VUAXGTFAPBHVIH-HJWRWDBZSA-N -1 3 366.384 3.564 20 30 FHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2ccccc2c1 ZINC000737809386 599458989 /nfs/dbraw/zinc/45/89/89/599458989.db2.gz VUAXGTFAPBHVIH-HJWRWDBZSA-N -1 3 366.384 3.564 20 30 FHEDHM CC(C)Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735850110 599459766 /nfs/dbraw/zinc/45/97/66/599459766.db2.gz OSKZDFUQMHGNAH-HJWRWDBZSA-N -1 3 372.432 3.609 20 30 FHEDHM CC(C)Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735850110 599459769 /nfs/dbraw/zinc/45/97/69/599459769.db2.gz OSKZDFUQMHGNAH-HJWRWDBZSA-N -1 3 372.432 3.609 20 30 FHEDHM C=C(Cl)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735402223 599503439 /nfs/dbraw/zinc/50/34/39/599503439.db2.gz MTESUMWZNWEFAO-UHFFFAOYSA-N -1 3 370.800 3.533 20 30 FHEDHM C=C(Cl)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735402223 599503441 /nfs/dbraw/zinc/50/34/41/599503441.db2.gz MTESUMWZNWEFAO-UHFFFAOYSA-N -1 3 370.800 3.533 20 30 FHEDHM C=CCC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000819734117 607404287 /nfs/dbraw/zinc/40/42/87/607404287.db2.gz IXGSAAIPEGBLBT-IQGVVSCOSA-N -1 3 359.433 3.704 20 30 FHEDHM C=CCC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000819734117 607404288 /nfs/dbraw/zinc/40/42/88/607404288.db2.gz IXGSAAIPEGBLBT-IQGVVSCOSA-N -1 3 359.433 3.704 20 30 FHEDHM CC[C@](NCc1cc(Cl)ccc1OCC#N)(C(=O)[O-])c1ccccc1 ZINC000736917838 600319226 /nfs/dbraw/zinc/31/92/26/600319226.db2.gz ORIRCRCJSYASQR-LJQANCHMSA-N -1 3 358.825 3.722 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000822924124 607455458 /nfs/dbraw/zinc/45/54/58/607455458.db2.gz YADAOEDPKAYOEI-VOTSOKGWSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000822924124 607455459 /nfs/dbraw/zinc/45/54/59/607455459.db2.gz YADAOEDPKAYOEI-VOTSOKGWSA-N -1 3 362.286 3.921 20 30 FHEDHM C[C@@H](CC(=O)[O-])SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000736552422 600585141 /nfs/dbraw/zinc/58/51/41/600585141.db2.gz MXFMCPFETHDDND-AAEUAGOBSA-N -1 3 360.460 3.583 20 30 FHEDHM CCOc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OCC ZINC000737194368 600590630 /nfs/dbraw/zinc/59/06/30/600590630.db2.gz CRAFSSJIICHQBB-XOBRGWDASA-N -1 3 368.433 3.832 20 30 FHEDHM CCCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821128229 607457941 /nfs/dbraw/zinc/45/79/41/607457941.db2.gz RZPOBUZOXXMMAI-JXMROGBWSA-N -1 3 352.369 3.691 20 30 FHEDHM CCCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821128229 607457943 /nfs/dbraw/zinc/45/79/43/607457943.db2.gz RZPOBUZOXXMMAI-JXMROGBWSA-N -1 3 352.369 3.691 20 30 FHEDHM Fc1cc(-c2nnn[n-]2)ccc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000822739931 607463912 /nfs/dbraw/zinc/46/39/12/607463912.db2.gz FBBLYKJULCMXGG-UHFFFAOYSA-N -1 3 365.397 3.575 20 30 FHEDHM Fc1cc(-c2nn[n-]n2)ccc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000822739931 607463913 /nfs/dbraw/zinc/46/39/13/607463913.db2.gz FBBLYKJULCMXGG-UHFFFAOYSA-N -1 3 365.397 3.575 20 30 FHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000828765075 601236140 /nfs/dbraw/zinc/23/61/40/601236140.db2.gz VDUJWAYGCIJUTI-AAJLLMFJSA-N -1 3 370.449 3.738 20 30 FHEDHM COCCSc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831788463 601303857 /nfs/dbraw/zinc/30/38/57/601303857.db2.gz UTVPKUGWNCJLLC-LIRRHRJNSA-N -1 3 370.474 3.773 20 30 FHEDHM Cc1cc(Br)ccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832858446 601305222 /nfs/dbraw/zinc/30/52/22/601305222.db2.gz IKMQZKHCWZKAAI-INIZCTEOSA-N -1 3 359.223 3.545 20 30 FHEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC000827717853 601560320 /nfs/dbraw/zinc/56/03/20/601560320.db2.gz LSZQIFKPQJGXAN-MEDUHNTESA-N -1 3 364.323 3.933 20 30 FHEDHM N#Cc1cccc(CN[C@H](c2ccc(F)cc2)C2CCN(C(=O)[O-])CC2)c1 ZINC000833978634 605982249 /nfs/dbraw/zinc/98/22/49/605982249.db2.gz QZJOCQHYDXNJNQ-HXUWFJFHSA-N -1 3 367.424 3.918 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(Br)c1 ZINC000822923214 606303112 /nfs/dbraw/zinc/30/31/12/606303112.db2.gz OGGDUMGYUSXJBY-SNAWJCMRSA-N -1 3 361.224 3.587 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(Br)c1 ZINC000822923214 606303113 /nfs/dbraw/zinc/30/31/13/606303113.db2.gz OGGDUMGYUSXJBY-SNAWJCMRSA-N -1 3 361.224 3.587 20 30 FHEDHM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c2ccccc12 ZINC000821769896 606303981 /nfs/dbraw/zinc/30/39/81/606303981.db2.gz LSVNVAIFQAECFC-VURMDHGXSA-N -1 3 362.414 3.986 20 30 FHEDHM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c2ccccc12 ZINC000821769896 606303983 /nfs/dbraw/zinc/30/39/83/606303983.db2.gz LSVNVAIFQAECFC-VURMDHGXSA-N -1 3 362.414 3.986 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)c(C)c2c1 ZINC000821854706 606305913 /nfs/dbraw/zinc/30/59/13/606305913.db2.gz SGHZZOPNDQXQLK-PLNGDYQASA-N -1 3 366.402 3.888 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)c(C)c2c1 ZINC000821854706 606305915 /nfs/dbraw/zinc/30/59/15/606305915.db2.gz SGHZZOPNDQXQLK-PLNGDYQASA-N -1 3 366.402 3.888 20 30 FHEDHM COc1cccc2cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)oc21 ZINC000821877774 606389366 /nfs/dbraw/zinc/38/93/66/606389366.db2.gz VCIUACHAUINHAH-FNORWQNLSA-N -1 3 352.375 3.579 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1CCCCCC1 ZINC000819743381 606629354 /nfs/dbraw/zinc/62/93/54/606629354.db2.gz HPZMCGIVWQFNOV-UHFFFAOYSA-N -1 3 353.470 3.742 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC1CCCCCC1 ZINC000819743381 606629355 /nfs/dbraw/zinc/62/93/55/606629355.db2.gz HPZMCGIVWQFNOV-UHFFFAOYSA-N -1 3 353.470 3.742 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2Cl)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015911 607122243 /nfs/dbraw/zinc/12/22/43/607122243.db2.gz QSYVQXYZYSCTLJ-FNORWQNLSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2Cl)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015911 607122244 /nfs/dbraw/zinc/12/22/44/607122244.db2.gz QSYVQXYZYSCTLJ-FNORWQNLSA-N -1 3 371.803 3.611 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826400967 607842901 /nfs/dbraw/zinc/84/29/01/607842901.db2.gz MABGLPIADXFQLN-XFSBKJJWSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826400967 607842902 /nfs/dbraw/zinc/84/29/02/607842902.db2.gz MABGLPIADXFQLN-XFSBKJJWSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826401299 607842997 /nfs/dbraw/zinc/84/29/97/607842997.db2.gz VAIDCIRMMJHCES-XQRVVYSFSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826401299 607842998 /nfs/dbraw/zinc/84/29/98/607842998.db2.gz VAIDCIRMMJHCES-XQRVVYSFSA-N -1 3 360.295 3.503 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C=C)c1ccccc1 ZINC000823909975 607979160 /nfs/dbraw/zinc/97/91/60/607979160.db2.gz UUXBEAXPFGZMTJ-SFHVURJKSA-N -1 3 373.460 3.741 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C=C)c1ccccc1 ZINC000823909975 607979161 /nfs/dbraw/zinc/97/91/61/607979161.db2.gz UUXBEAXPFGZMTJ-SFHVURJKSA-N -1 3 373.460 3.741 20 30 FHEDHM C=C[C@@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000823883190 608005839 /nfs/dbraw/zinc/00/58/39/608005839.db2.gz KMLXXJFJRJEXED-ZDUSSCGKSA-N -1 3 367.840 3.843 20 30 FHEDHM C=C[C@@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000823883190 608005840 /nfs/dbraw/zinc/00/58/40/608005840.db2.gz KMLXXJFJRJEXED-ZDUSSCGKSA-N -1 3 367.840 3.843 20 30 FHEDHM O=C(C=Cc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000826400226 608048162 /nfs/dbraw/zinc/04/81/62/608048162.db2.gz SMAOELUSDKOZRS-YVMONPNESA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000826400226 608048163 /nfs/dbraw/zinc/04/81/63/608048163.db2.gz SMAOELUSDKOZRS-YVMONPNESA-N -1 3 373.185 3.664 20 30 FHEDHM COc1ccc2oc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)cc2c1 ZINC000826213831 608109692 /nfs/dbraw/zinc/10/96/92/608109692.db2.gz OHWMUIKQNPLQCL-LCYFTJDESA-N -1 3 372.384 3.834 20 30 FHEDHM COc1ccc2oc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)cc2c1 ZINC000826213831 608109693 /nfs/dbraw/zinc/10/96/93/608109693.db2.gz OHWMUIKQNPLQCL-LCYFTJDESA-N -1 3 372.384 3.834 20 30 FHEDHM N#Cc1ccc(OCCSc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826386301 608207490 /nfs/dbraw/zinc/20/74/90/608207490.db2.gz YERKXQDCALASSH-UHFFFAOYSA-N -1 3 357.826 3.563 20 30 FHEDHM N#Cc1ccc(OCCSc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826386301 608207491 /nfs/dbraw/zinc/20/74/91/608207491.db2.gz YERKXQDCALASSH-UHFFFAOYSA-N -1 3 357.826 3.563 20 30 FHEDHM Cc1ccc(C#N)c(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000826281413 608290188 /nfs/dbraw/zinc/29/01/88/608290188.db2.gz QGYKEFQTRBXOHM-UHFFFAOYSA-N -1 3 373.445 3.782 20 30 FHEDHM CCSc1ccccc1C(C)=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825673829 608534022 /nfs/dbraw/zinc/53/40/22/608534022.db2.gz DCSNXZWFFIUFJM-UHFFFAOYSA-N -1 3 373.873 3.863 20 30 FHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C12CC3CC(CC(C3)C1)C2 ZINC000823953540 608539626 /nfs/dbraw/zinc/53/96/26/608539626.db2.gz FRMKXMVJGZQIKS-UHFFFAOYSA-N -1 3 371.876 3.919 20 30 FHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C12CC3CC(CC(C3)C1)C2 ZINC000823953540 608539627 /nfs/dbraw/zinc/53/96/27/608539627.db2.gz FRMKXMVJGZQIKS-UHFFFAOYSA-N -1 3 371.876 3.919 20 30 FHEDHM CC(C)Oc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000824325081 608876154 /nfs/dbraw/zinc/87/61/54/608876154.db2.gz ZQUCSFBPKVNSTP-ONNFQVAWSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000824325081 608876155 /nfs/dbraw/zinc/87/61/55/608876155.db2.gz ZQUCSFBPKVNSTP-ONNFQVAWSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000824325082 608876400 /nfs/dbraw/zinc/87/64/00/608876400.db2.gz ZQUCSFBPKVNSTP-WMZJFQQLSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000824325082 608876403 /nfs/dbraw/zinc/87/64/03/608876403.db2.gz ZQUCSFBPKVNSTP-WMZJFQQLSA-N -1 3 352.369 3.689 20 30 FHEDHM O=C(C=Cc1ncc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000826403310 608878274 /nfs/dbraw/zinc/87/82/74/608878274.db2.gz OOPLFDSINPZIJB-KTKRTIGZSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1ncc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000826403310 608878276 /nfs/dbraw/zinc/87/82/76/608878276.db2.gz OOPLFDSINPZIJB-KTKRTIGZSA-N -1 3 359.414 3.886 20 30 FHEDHM CSc1ccc2c(c1)CCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826231060 608879386 /nfs/dbraw/zinc/87/93/86/608879386.db2.gz VFQRRHNUNZJDFK-JYRVWZFOSA-N -1 3 366.421 3.940 20 30 FHEDHM CSc1ccc2c(c1)CCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826231060 608879387 /nfs/dbraw/zinc/87/93/87/608879387.db2.gz VFQRRHNUNZJDFK-JYRVWZFOSA-N -1 3 366.421 3.940 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475940 608881373 /nfs/dbraw/zinc/88/13/73/608881373.db2.gz WTHNWHIUBRHUAD-YRNVUSSQSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475940 608881374 /nfs/dbraw/zinc/88/13/74/608881374.db2.gz WTHNWHIUBRHUAD-YRNVUSSQSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C(C=Cc1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402768 609271070 /nfs/dbraw/zinc/27/10/70/609271070.db2.gz BKNSIBIFOYFOJH-VQHVLOKHSA-N -1 3 361.336 3.557 20 30 FHEDHM O=C(C=Cc1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402768 609271073 /nfs/dbraw/zinc/27/10/73/609271073.db2.gz BKNSIBIFOYFOJH-VQHVLOKHSA-N -1 3 361.336 3.557 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400608 609271106 /nfs/dbraw/zinc/27/11/06/609271106.db2.gz CDZRVKSQJSFUPH-RMKNXTFCSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400608 609271107 /nfs/dbraw/zinc/27/11/07/609271107.db2.gz CDZRVKSQJSFUPH-RMKNXTFCSA-N -1 3 371.375 3.964 20 30 FHEDHM COc1ccc(Cl)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826208287 609274036 /nfs/dbraw/zinc/27/40/36/609274036.db2.gz CKRNMFYHIMEOMX-ZZXKWVIFSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(Cl)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826208287 609274038 /nfs/dbraw/zinc/27/40/38/609274038.db2.gz CKRNMFYHIMEOMX-ZZXKWVIFSA-N -1 3 358.760 3.564 20 30 FHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1csc(-c2ccccc2F)n1 ZINC000120256642 927910767 /nfs/dbraw/zinc/91/07/67/927910767.db2.gz APCAGOOVTCOZAK-AWEZNQCLSA-N -1 3 365.389 3.910 20 30 FHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnc([C@H]4CCCO4)s3)nc21 ZINC000536347967 930154980 /nfs/dbraw/zinc/15/49/80/930154980.db2.gz GQFVBFSUMJILTB-DGCLKSJQSA-N -1 3 352.419 3.669 20 30 FHEDHM Cc1cc(-n2cncn2)ccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430607172 932185361 /nfs/dbraw/zinc/18/53/61/932185361.db2.gz YNCUBNWXRQQMDG-HNNXBMFYSA-N -1 3 365.462 3.820 20 30 FHEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc2[nH]ccc2c1 ZINC000276598611 932766490 /nfs/dbraw/zinc/76/64/90/932766490.db2.gz DXECBSAZVNRGQM-UHFFFAOYSA-N -1 3 362.433 3.743 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(C2CCC2)cc1 ZINC000277214390 934811603 /nfs/dbraw/zinc/81/16/03/934811603.db2.gz HQVOQUJPDSXNNH-UHFFFAOYSA-N -1 3 363.461 3.792 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583449526 938258771 /nfs/dbraw/zinc/25/87/71/938258771.db2.gz NLFALNQHDUVYFQ-LLVKDONJSA-N -1 3 354.435 3.564 20 30 FHEDHM COc1cc(C(=O)C=Cc2c[nH]nc2-c2ccccc2F)c(OC)cc1[O-] ZINC000255635010 939018656 /nfs/dbraw/zinc/01/86/56/939018656.db2.gz YDLPZZQGIUCBJC-FPLPWBNLSA-N -1 3 368.364 3.835 20 30 FHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])C=CSCc1ccco1 ZINC000255658228 939064936 /nfs/dbraw/zinc/06/49/36/939064936.db2.gz USXBDYOMPZULAC-KLQCNHIUSA-N -1 3 370.430 3.773 20 30 FHEDHM COCCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177071839 939175884 /nfs/dbraw/zinc/17/58/84/939175884.db2.gz KGBPTDZWBARCTQ-UHFFFAOYSA-N -1 3 372.852 3.768 20 30 FHEDHM O=C1C[C@@H](/N=C/c2cc(Cl)ccc2[O-])CN1c1c(F)cccc1F ZINC000179721933 939927113 /nfs/dbraw/zinc/92/71/13/939927113.db2.gz ACOIXIQMKSRKTM-CGYLCNSDSA-N -1 3 350.752 3.548 20 30 FHEDHM Cc1cc(C(C#N)=C([O-])c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc(C)n1 ZINC000437374673 945283254 /nfs/dbraw/zinc/28/32/54/945283254.db2.gz ODKVRBXUSZNBKQ-CYBMUJFWSA-N -1 3 364.283 3.511 20 30 FHEDHM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000431685943 940283634 /nfs/dbraw/zinc/28/36/34/940283634.db2.gz NSNJHXGBVLFJIA-UHFFFAOYSA-N -1 3 360.402 3.514 20 30 FHEDHM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000431685943 940283636 /nfs/dbraw/zinc/28/36/36/940283636.db2.gz NSNJHXGBVLFJIA-UHFFFAOYSA-N -1 3 360.402 3.514 20 30 FHEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)c1 ZINC000177599825 940303091 /nfs/dbraw/zinc/30/30/91/940303091.db2.gz HKHYVDASAHEXJP-OAHLLOKOSA-N -1 3 350.399 3.871 20 30 FHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccn(C2CCCC2)n1 ZINC000177687070 940357810 /nfs/dbraw/zinc/35/78/10/940357810.db2.gz VLSHPFGRIXYXFJ-HNNXBMFYSA-N -1 3 356.813 3.613 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1Cl ZINC000180286423 940925408 /nfs/dbraw/zinc/92/54/08/940925408.db2.gz CUAKBFDDOOEXEY-UHFFFAOYSA-N -1 3 362.625 3.714 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000189362726 941157488 /nfs/dbraw/zinc/15/74/88/941157488.db2.gz HFPPMTXAJFGTAT-DLBZAZTESA-N -1 3 371.525 3.907 20 30 FHEDHM CC1CCN([C@H](CNC(=O)c2ccc(C#N)c([O-])c2)c2cccs2)CC1 ZINC000189870270 941291581 /nfs/dbraw/zinc/29/15/81/941291581.db2.gz SMJUVWCSBIDVRI-QGZVFWFLSA-N -1 3 369.490 3.528 20 30 FHEDHM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000473522610 941753171 /nfs/dbraw/zinc/75/31/71/941753171.db2.gz SUUXCMDSDFYUJU-MRXNPFEDSA-N -1 3 355.401 3.856 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000183456457 942273438 /nfs/dbraw/zinc/27/34/38/942273438.db2.gz BHIQLXMRCLJEBJ-MNOVXSKESA-N -1 3 366.792 3.611 20 30 FHEDHM CCCCc1nc(NC(=O)c2cc(C)c(C#N)c(C)c2)c(C(=O)OCC)[n-]1 ZINC001269123776 942522675 /nfs/dbraw/zinc/52/26/75/942522675.db2.gz LDHFEWADAOUESA-UHFFFAOYSA-N -1 3 368.437 3.670 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000501692874 942615879 /nfs/dbraw/zinc/61/58/79/942615879.db2.gz TYHRDKWLQLGJBS-FQEVSTJZSA-N -1 3 369.440 3.861 20 30 FHEDHM N#Cc1cscc1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000501754224 942653794 /nfs/dbraw/zinc/65/37/94/942653794.db2.gz WNJIXVXZEJDFNJ-UHFFFAOYSA-N -1 3 360.851 3.968 20 30 FHEDHM N#Cc1cnccc1[N-]C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC001125886354 942917504 /nfs/dbraw/zinc/91/75/04/942917504.db2.gz BDRKPVNSYQCLSZ-UHFFFAOYSA-N -1 3 359.172 3.589 20 30 FHEDHM C=CCCCN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183875418 943062364 /nfs/dbraw/zinc/06/23/64/943062364.db2.gz ABOKIBNQSMZMGW-FQEVSTJZSA-N -1 3 366.461 3.678 20 30 FHEDHM C=CCc1cc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc(OC)c1O ZINC000417628193 943766676 /nfs/dbraw/zinc/76/66/76/943766676.db2.gz OZHKEGVVAKPIDQ-ZWKOTPCHSA-N -1 3 353.418 3.532 20 30 FHEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Br)ccc1OCCC ZINC000417624199 943775830 /nfs/dbraw/zinc/77/58/30/943775830.db2.gz JPUXZMZOTNUTBG-CQSZACIVSA-N -1 3 356.260 3.747 20 30 FHEDHM Cc1cc(C(C#N)=C([O-])c2cn(CCCC#N)c3ccccc23)nc(C)n1 ZINC000516906676 943804623 /nfs/dbraw/zinc/80/46/23/943804623.db2.gz KVIWXPLRZXGBJC-KRWDZBQOSA-N -1 3 357.417 3.842 20 30 FHEDHM C=CCCn1cc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)nn1 ZINC000424686199 944047662 /nfs/dbraw/zinc/04/76/62/944047662.db2.gz UPXWUNRRJQGVFS-UHFFFAOYSA-N -1 3 356.373 3.603 20 30 FHEDHM C=CC[C@@H](CC)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436486198 944370925 /nfs/dbraw/zinc/37/09/25/944370925.db2.gz IMFCDZGWXBBNMP-UYAOXDASSA-N -1 3 366.461 3.724 20 30 FHEDHM C=CC[C@@H](CC)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436486196 944370978 /nfs/dbraw/zinc/37/09/78/944370978.db2.gz IMFCDZGWXBBNMP-QUCCMNQESA-N -1 3 366.461 3.724 20 30 FHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123951209 944654287 /nfs/dbraw/zinc/65/42/87/944654287.db2.gz CFUWFXGLONMJDX-LBPRGKRZSA-N -1 3 367.714 3.715 20 30 FHEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126585651 944836556 /nfs/dbraw/zinc/83/65/56/944836556.db2.gz ZSBURPAYUXHOJE-CYBMUJFWSA-N -1 3 350.346 3.864 20 30 FHEDHM C#CCCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823839005 946489221 /nfs/dbraw/zinc/48/92/21/946489221.db2.gz YESIQBPHNLHRHW-INIZCTEOSA-N -1 3 373.460 3.905 20 30 FHEDHM C#CCCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823839005 946489225 /nfs/dbraw/zinc/48/92/25/946489225.db2.gz YESIQBPHNLHRHW-INIZCTEOSA-N -1 3 373.460 3.905 20 30 FHEDHM C=C(C)c1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001573295074 947004494 /nfs/dbraw/zinc/00/44/94/947004494.db2.gz NEUIDKYMWJYIMH-UHFFFAOYSA-N -1 3 368.828 3.875 20 30 FHEDHM C=C(C)c1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001573295074 947004506 /nfs/dbraw/zinc/00/45/06/947004506.db2.gz NEUIDKYMWJYIMH-UHFFFAOYSA-N -1 3 368.828 3.875 20 30 FHEDHM Cc1cc(C)cc(-c2cc(=NC(=O)C3(c4ccc(C#N)cc4)CC3)[nH][n-]2)c1 ZINC000444707872 947135606 /nfs/dbraw/zinc/13/56/06/947135606.db2.gz QHNJGSLVUSIOBO-UHFFFAOYSA-N -1 3 356.429 3.657 20 30 FHEDHM C=CCCCCCCCCNC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001573335859 947491888 /nfs/dbraw/zinc/49/18/88/947491888.db2.gz VZOXPOXEZAQXPI-UHFFFAOYSA-N -1 3 366.469 3.995 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc2cccnc12 ZINC000826266754 947770800 /nfs/dbraw/zinc/77/08/00/947770800.db2.gz ZXQYSBQMOQYMQW-QPJJXVBHSA-N -1 3 359.364 3.759 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc2cccnc12 ZINC000826266754 947770813 /nfs/dbraw/zinc/77/08/13/947770813.db2.gz ZXQYSBQMOQYMQW-QPJJXVBHSA-N -1 3 359.364 3.759 20 30 FHEDHM C=C(Br)CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000178510846 948034993 /nfs/dbraw/zinc/03/49/93/948034993.db2.gz BWNLCKIYILXIBA-UHFFFAOYSA-N -1 3 373.678 3.605 20 30 FHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnc(-c4cccnc4)s3)nc21 ZINC000536437581 948144818 /nfs/dbraw/zinc/14/48/18/948144818.db2.gz LCHDEVYVESLFSL-CYBMUJFWSA-N -1 3 359.414 3.880 20 30 FHEDHM O=C(C=Cc1cnc(C2CCC2)s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403305 948226374 /nfs/dbraw/zinc/22/63/74/948226374.db2.gz ONDBFDQUCKFFBS-FNORWQNLSA-N -1 3 355.398 3.626 20 30 FHEDHM O=C(C=Cc1cnc(C2CCC2)s1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403305 948226382 /nfs/dbraw/zinc/22/63/82/948226382.db2.gz ONDBFDQUCKFFBS-FNORWQNLSA-N -1 3 355.398 3.626 20 30 FHEDHM C=CCC[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001460788400 948525855 /nfs/dbraw/zinc/52/58/55/948525855.db2.gz SQLZAWVEYDQVEJ-OAHLLOKOSA-N -1 3 351.385 3.694 20 30 FHEDHM C=CCC[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001460788400 948525861 /nfs/dbraw/zinc/52/58/61/948525861.db2.gz SQLZAWVEYDQVEJ-OAHLLOKOSA-N -1 3 351.385 3.694 20 30 FHEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3ccc4nccnc4n3)sc2[C@H](C)C1 ZINC000569316561 568376613 /nfs/dbraw/zinc/37/66/13/568376613.db2.gz HJCVWEZOZAGGQB-GHMZBOCLSA-N -1 3 363.446 3.896 20 30 FHEDHM CC[C@H](C)[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000736320745 598918551 /nfs/dbraw/zinc/91/85/51/598918551.db2.gz WUQJAJLHFCIOGI-SCLBCKFNSA-N -1 3 360.421 3.507 20 30 FHEDHM CC[C@H](C)[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000736320745 598918553 /nfs/dbraw/zinc/91/85/53/598918553.db2.gz WUQJAJLHFCIOGI-SCLBCKFNSA-N -1 3 360.421 3.507 20 30 FHEDHM CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000820833440 607253878 /nfs/dbraw/zinc/25/38/78/607253878.db2.gz XNALUTGHZFUFKQ-UHFFFAOYSA-N -1 3 358.808 3.563 20 30 FHEDHM CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820833440 607253879 /nfs/dbraw/zinc/25/38/79/607253879.db2.gz XNALUTGHZFUFKQ-UHFFFAOYSA-N -1 3 358.808 3.563 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(OC(F)F)cc1C ZINC000822198709 599111653 /nfs/dbraw/zinc/11/16/53/599111653.db2.gz HFGXCILDEYXIAE-BQYQJAHWSA-N -1 3 370.359 3.981 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)cc1C ZINC000822198709 599111655 /nfs/dbraw/zinc/11/16/55/599111655.db2.gz HFGXCILDEYXIAE-BQYQJAHWSA-N -1 3 370.359 3.981 20 30 FHEDHM O=C1C(=Cc2nccc3ccccc32)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503352 599116934 /nfs/dbraw/zinc/11/69/34/599116934.db2.gz DGPLYZLPTLKBPF-NTCAYCPXSA-N -1 3 353.385 3.627 20 30 FHEDHM O=C1C(=Cc2nccc3ccccc32)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503352 599116938 /nfs/dbraw/zinc/11/69/38/599116938.db2.gz DGPLYZLPTLKBPF-NTCAYCPXSA-N -1 3 353.385 3.627 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000737080536 599150754 /nfs/dbraw/zinc/15/07/54/599150754.db2.gz CJGMHCDCVMXJQS-UXBLZVDNSA-N -1 3 356.385 3.925 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000737080536 599150756 /nfs/dbraw/zinc/15/07/56/599150756.db2.gz CJGMHCDCVMXJQS-UXBLZVDNSA-N -1 3 356.385 3.925 20 30 FHEDHM COc1ccc(C=CC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000737080498 599151284 /nfs/dbraw/zinc/15/12/84/599151284.db2.gz BUJNUMKEQCUCCC-FNORWQNLSA-N -1 3 374.322 3.790 20 30 FHEDHM COc1ccc(C=CC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000737080498 599151286 /nfs/dbraw/zinc/15/12/86/599151286.db2.gz BUJNUMKEQCUCCC-FNORWQNLSA-N -1 3 374.322 3.790 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(OC(C)C)cc2)cc1-c1nnn[n-]1 ZINC000737080719 599153877 /nfs/dbraw/zinc/15/38/77/599153877.db2.gz GYRBHKBBGZWLTA-ONNFQVAWSA-N -1 3 364.405 3.559 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(OC(C)C)cc2)cc1-c1nn[n-]n1 ZINC000737080719 599153878 /nfs/dbraw/zinc/15/38/78/599153878.db2.gz GYRBHKBBGZWLTA-ONNFQVAWSA-N -1 3 364.405 3.559 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(SC)c(F)c2)cc1-c1nnn[n-]1 ZINC000737082481 599156868 /nfs/dbraw/zinc/15/68/68/599156868.db2.gz VUNFXGNWIYAZIG-UTCJRWHESA-N -1 3 370.409 3.632 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(SC)c(F)c2)cc1-c1nn[n-]n1 ZINC000737082481 599156871 /nfs/dbraw/zinc/15/68/71/599156871.db2.gz VUNFXGNWIYAZIG-UTCJRWHESA-N -1 3 370.409 3.632 20 30 FHEDHM C=CC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735410044 599217262 /nfs/dbraw/zinc/21/72/62/599217262.db2.gz RZLNPDCGUOUPTQ-ZDUSSCGKSA-N -1 3 364.409 3.745 20 30 FHEDHM C=CC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735410044 599217265 /nfs/dbraw/zinc/21/72/65/599217265.db2.gz RZLNPDCGUOUPTQ-ZDUSSCGKSA-N -1 3 364.409 3.745 20 30 FHEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000737297749 598324691 /nfs/dbraw/zinc/32/46/91/598324691.db2.gz ZKBNHIUPWHYFHE-UHFFFAOYSA-N -1 3 369.841 3.509 20 30 FHEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000737297749 598324693 /nfs/dbraw/zinc/32/46/93/598324693.db2.gz ZKBNHIUPWHYFHE-UHFFFAOYSA-N -1 3 369.841 3.509 20 30 FHEDHM CCC=C(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736412239 598331716 /nfs/dbraw/zinc/33/17/16/598331716.db2.gz RUFDTFUZNAVBSK-MCRQLQJRSA-N -1 3 364.434 3.523 20 30 FHEDHM CCC=C(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736412239 598331717 /nfs/dbraw/zinc/33/17/17/598331717.db2.gz RUFDTFUZNAVBSK-MCRQLQJRSA-N -1 3 364.434 3.523 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC000735506334 598502975 /nfs/dbraw/zinc/50/29/75/598502975.db2.gz VVDOFKMCVOBAFF-ZDUSSCGKSA-N -1 3 350.451 3.731 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC000735506334 598502977 /nfs/dbraw/zinc/50/29/77/598502977.db2.gz VVDOFKMCVOBAFF-ZDUSSCGKSA-N -1 3 350.451 3.731 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(Cl)s2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203035 598639469 /nfs/dbraw/zinc/63/94/69/598639469.db2.gz QZOYAEMSJQGBSC-XQRVVYSFSA-N -1 3 359.842 3.534 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(Cl)s2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203035 598639471 /nfs/dbraw/zinc/63/94/71/598639471.db2.gz QZOYAEMSJQGBSC-XQRVVYSFSA-N -1 3 359.842 3.534 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(Cl)s2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203032 598639634 /nfs/dbraw/zinc/63/96/34/598639634.db2.gz QZOYAEMSJQGBSC-GQCTYLIASA-N -1 3 359.842 3.534 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(Cl)s2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203032 598639636 /nfs/dbraw/zinc/63/96/36/598639636.db2.gz QZOYAEMSJQGBSC-GQCTYLIASA-N -1 3 359.842 3.534 20 30 FHEDHM O=C(C=Cc1csc(-c2cccs2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000737807144 598642146 /nfs/dbraw/zinc/64/21/46/598642146.db2.gz OEBHTZYDCJJDHO-SREVYHEPSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1csc(-c2cccs2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000737807144 598642147 /nfs/dbraw/zinc/64/21/47/598642147.db2.gz OEBHTZYDCJJDHO-SREVYHEPSA-N -1 3 365.443 3.948 20 30 FHEDHM N#Cc1ccccc1CSCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737727592 598792592 /nfs/dbraw/zinc/79/25/92/598792592.db2.gz OVDCIEGAIWHPHP-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM N#Cc1ccccc1CSCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737727592 598792593 /nfs/dbraw/zinc/79/25/93/598792593.db2.gz OVDCIEGAIWHPHP-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM N#Cc1cccnc1Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737727009 598796732 /nfs/dbraw/zinc/79/67/32/598796732.db2.gz BFXHUIMWLVRVOX-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736644415 599367995 /nfs/dbraw/zinc/36/79/95/599367995.db2.gz LDMKZUVNKHJMKR-UITAMQMPSA-N -1 3 354.797 3.815 20 30 FHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736644415 599367998 /nfs/dbraw/zinc/36/79/98/599367998.db2.gz LDMKZUVNKHJMKR-UITAMQMPSA-N -1 3 354.797 3.815 20 30 FHEDHM CCC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1OC ZINC000736305938 599457409 /nfs/dbraw/zinc/45/74/09/599457409.db2.gz YMZQIAABQCAANX-UHFFFAOYSA-N -1 3 356.817 3.755 20 30 FHEDHM N#CCSCCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000822814262 599689947 /nfs/dbraw/zinc/68/99/47/599689947.db2.gz DNCQEFKMIDRSMK-UHFFFAOYSA-N -1 3 368.491 3.668 20 30 FHEDHM N#CCSCCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000822814262 599689948 /nfs/dbraw/zinc/68/99/48/599689948.db2.gz DNCQEFKMIDRSMK-UHFFFAOYSA-N -1 3 368.491 3.668 20 30 FHEDHM CCN(CC)c1ccc(C=[NH+]CCc2ccc(NC(=O)[O-])cc2)c([O-])c1 ZINC000737088248 600365430 /nfs/dbraw/zinc/36/54/30/600365430.db2.gz HXJVHIXUVKZEOI-STZFKDTASA-N -1 3 355.438 3.990 20 30 FHEDHM C[C@@H](CC(=O)[O-])SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000736552429 600585158 /nfs/dbraw/zinc/58/51/58/600585158.db2.gz MXFMCPFETHDDND-WCQYABFASA-N -1 3 360.460 3.583 20 30 FHEDHM COc1cc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(C)C ZINC000737869155 600593591 /nfs/dbraw/zinc/59/35/91/600593591.db2.gz ZPGWSSDXVRMYLQ-JLTOFOAXSA-N -1 3 368.433 3.831 20 30 FHEDHM CCCOc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737031146 600594650 /nfs/dbraw/zinc/59/46/50/600594650.db2.gz ICFCPOIUSFNQQB-JLTOFOAXSA-N -1 3 368.433 3.832 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(OC(F)F)cc1 ZINC000822922939 607457161 /nfs/dbraw/zinc/45/71/61/607457161.db2.gz LGZRDWGMGRSCNY-VMPITWQZSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC(F)F)cc1 ZINC000822922939 607457164 /nfs/dbraw/zinc/45/71/64/607457164.db2.gz LGZRDWGMGRSCNY-VMPITWQZSA-N -1 3 360.295 3.503 20 30 FHEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000827718852 601299339 /nfs/dbraw/zinc/29/93/39/601299339.db2.gz YXTQVYIKQLMOFN-MEDUHNTESA-N -1 3 364.323 3.933 20 30 FHEDHM C=CCN(Cc1ccn(C(CC)CC)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823915359 607519015 /nfs/dbraw/zinc/51/90/15/607519015.db2.gz VXVFLNWXIORVGV-UHFFFAOYSA-N -1 3 365.485 3.613 20 30 FHEDHM C=CCN(Cc1ccn(C(CC)CC)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823915359 607519016 /nfs/dbraw/zinc/51/90/16/607519016.db2.gz VXVFLNWXIORVGV-UHFFFAOYSA-N -1 3 365.485 3.613 20 30 FHEDHM CCC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000739306638 602670330 /nfs/dbraw/zinc/67/03/30/602670330.db2.gz YKJASWQHKDYSFV-ZJUUUORDSA-N -1 3 351.815 3.562 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826400747 607647242 /nfs/dbraw/zinc/64/72/42/607647242.db2.gz HAXIHIXCPJJRGY-KPKJPENVSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826400747 607647243 /nfs/dbraw/zinc/64/72/43/607647243.db2.gz HAXIHIXCPJJRGY-KPKJPENVSA-N -1 3 353.385 3.825 20 30 FHEDHM COc1cccc2cc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)oc21 ZINC000821877895 606304095 /nfs/dbraw/zinc/30/40/95/606304095.db2.gz YKQJEMAXIDYGJW-WAYWQWQTSA-N -1 3 352.375 3.579 20 30 FHEDHM COc1cccc2cc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)oc21 ZINC000821877895 606304097 /nfs/dbraw/zinc/30/40/97/606304097.db2.gz YKQJEMAXIDYGJW-WAYWQWQTSA-N -1 3 352.375 3.579 20 30 FHEDHM CSc1ccc2c(c1)CCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000821984873 606305652 /nfs/dbraw/zinc/30/56/52/606305652.db2.gz VRRQTWTVXFAUKM-YRNVUSSQSA-N -1 3 354.460 3.863 20 30 FHEDHM CSc1ccc2c(c1)CCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000821984873 606305655 /nfs/dbraw/zinc/30/56/55/606305655.db2.gz VRRQTWTVXFAUKM-YRNVUSSQSA-N -1 3 354.460 3.863 20 30 FHEDHM CC(C)COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820103337 606388467 /nfs/dbraw/zinc/38/84/67/606388467.db2.gz VLUDMGPVQQLGNA-VQHVLOKHSA-N -1 3 354.435 3.859 20 30 FHEDHM N#Cc1ccc(Oc2ccc(Oc3ncccc3-c3nnn[n-]3)cc2)cc1 ZINC000822833291 606434757 /nfs/dbraw/zinc/43/47/57/606434757.db2.gz NQWQUOWJMMMMKV-UHFFFAOYSA-N -1 3 356.345 3.718 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822259483 606761964 /nfs/dbraw/zinc/76/19/64/606761964.db2.gz YTIQVRGRDQACIZ-SREVYHEPSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822259483 606761966 /nfs/dbraw/zinc/76/19/66/606761966.db2.gz YTIQVRGRDQACIZ-SREVYHEPSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822259048 606820935 /nfs/dbraw/zinc/82/09/35/606820935.db2.gz KXNWMOYYQYFLEU-ARJAWSKDSA-N -1 3 362.361 3.734 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822259048 606820937 /nfs/dbraw/zinc/82/09/37/606820937.db2.gz KXNWMOYYQYFLEU-ARJAWSKDSA-N -1 3 362.361 3.734 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822259009 606821043 /nfs/dbraw/zinc/82/10/43/606821043.db2.gz JMKGHMSUOHUPPP-YVMONPNESA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822259009 606821044 /nfs/dbraw/zinc/82/10/44/606821044.db2.gz JMKGHMSUOHUPPP-YVMONPNESA-N -1 3 356.332 3.673 20 30 FHEDHM CC1CC(C#N)(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000820642509 606905183 /nfs/dbraw/zinc/90/51/83/606905183.db2.gz JBGJNZVBSIOOSY-UHFFFAOYSA-N -1 3 374.404 3.537 20 30 FHEDHM CC1CC(C#N)(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820642509 606905185 /nfs/dbraw/zinc/90/51/85/606905185.db2.gz JBGJNZVBSIOOSY-UHFFFAOYSA-N -1 3 374.404 3.537 20 30 FHEDHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820455400 606920217 /nfs/dbraw/zinc/92/02/17/606920217.db2.gz IJTWXLQMGZEMMY-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820455400 606920220 /nfs/dbraw/zinc/92/02/20/606920220.db2.gz IJTWXLQMGZEMMY-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM N#Cc1cc(C(F)(F)F)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822819525 606941093 /nfs/dbraw/zinc/94/10/93/606941093.db2.gz UIYMQZCYPKBOBU-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM N#Cc1cc(C(F)(F)F)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822819525 606941094 /nfs/dbraw/zinc/94/10/94/606941094.db2.gz UIYMQZCYPKBOBU-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCC(C)(C)CC1 ZINC000819743838 607192092 /nfs/dbraw/zinc/19/20/92/607192092.db2.gz QUDWINSXYOXTKT-UHFFFAOYSA-N -1 3 353.470 3.598 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCC(C)(C)CC1 ZINC000819743838 607192093 /nfs/dbraw/zinc/19/20/93/607192093.db2.gz QUDWINSXYOXTKT-UHFFFAOYSA-N -1 3 353.470 3.598 20 30 FHEDHM CC(=[NH+][N-]c1cccc(-c2nn[n-]n2)c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000823958604 607843396 /nfs/dbraw/zinc/84/33/96/607843396.db2.gz SHOLWGWVHXBEKS-UHFFFAOYSA-N -1 3 362.224 3.592 20 30 FHEDHM O=C(C=Cc1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826401241 607884080 /nfs/dbraw/zinc/88/40/80/607884080.db2.gz SYDJKARNPSGLCC-WAPJZHGLSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826401241 607884081 /nfs/dbraw/zinc/88/40/81/607884081.db2.gz SYDJKARNPSGLCC-WAPJZHGLSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Br)c(F)c1 ZINC000826401813 607885481 /nfs/dbraw/zinc/88/54/81/607885481.db2.gz HIMIPJJGOINWDF-VURMDHGXSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Br)c(F)c1 ZINC000826401813 607885482 /nfs/dbraw/zinc/88/54/82/607885482.db2.gz HIMIPJJGOINWDF-VURMDHGXSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C1c2ccc(Br)cc2CC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475644 608015735 /nfs/dbraw/zinc/01/57/35/608015735.db2.gz MIUPJKKSICWAMV-UITAMQMPSA-N -1 3 373.235 3.513 20 30 FHEDHM O=C1c2ccc(Br)cc2CC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475644 608015736 /nfs/dbraw/zinc/01/57/36/608015736.db2.gz MIUPJKKSICWAMV-UITAMQMPSA-N -1 3 373.235 3.513 20 30 FHEDHM CCCCCCCCC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825271500 608085921 /nfs/dbraw/zinc/08/59/21/608085921.db2.gz KLDCPNFMTGAZLV-SFHVURJKSA-N -1 3 371.485 3.517 20 30 FHEDHM CCCCCCCCC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825271500 608085922 /nfs/dbraw/zinc/08/59/22/608085922.db2.gz KLDCPNFMTGAZLV-SFHVURJKSA-N -1 3 371.485 3.517 20 30 FHEDHM Cc1cc(C)c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1C ZINC000823953661 608534653 /nfs/dbraw/zinc/53/46/53/608534653.db2.gz KTJTYWHJTPQWOE-UHFFFAOYSA-N -1 3 355.833 3.676 20 30 FHEDHM Cc1cc(C)c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1C ZINC000823953661 608534655 /nfs/dbraw/zinc/53/46/55/608534655.db2.gz KTJTYWHJTPQWOE-UHFFFAOYSA-N -1 3 355.833 3.676 20 30 FHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cccc(Cl)c2Cl)n1 ZINC000826350055 608537685 /nfs/dbraw/zinc/53/76/85/608537685.db2.gz GJLLZWQXKAKORN-UHFFFAOYSA-N -1 3 368.615 3.668 20 30 FHEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(Cl)cc1 ZINC000825029075 608540657 /nfs/dbraw/zinc/54/06/57/608540657.db2.gz MOSMDWGSVVUBQD-UHFFFAOYSA-N -1 3 362.224 3.795 20 30 FHEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(Cl)cc1 ZINC000825029075 608540658 /nfs/dbraw/zinc/54/06/58/608540658.db2.gz MOSMDWGSVVUBQD-UHFFFAOYSA-N -1 3 362.224 3.795 20 30 FHEDHM O=C1c2cc(F)ccc2SCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475827 608878281 /nfs/dbraw/zinc/87/82/81/608878281.db2.gz SDBVPOGFCVHDEA-BJMVGYQFSA-N -1 3 356.357 3.517 20 30 FHEDHM O=C1c2cc(F)ccc2SCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475827 608878283 /nfs/dbraw/zinc/87/82/83/608878283.db2.gz SDBVPOGFCVHDEA-BJMVGYQFSA-N -1 3 356.357 3.517 20 30 FHEDHM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)ccc1SC ZINC000826176896 608879205 /nfs/dbraw/zinc/87/92/05/608879205.db2.gz JAPZNOBEBCPMHE-DAXSKMNVSA-N -1 3 370.409 3.632 20 30 FHEDHM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)ccc1SC ZINC000826176896 608879208 /nfs/dbraw/zinc/87/92/08/608879208.db2.gz JAPZNOBEBCPMHE-DAXSKMNVSA-N -1 3 370.409 3.632 20 30 FHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CCO2 ZINC000826272939 608880419 /nfs/dbraw/zinc/88/04/19/608880419.db2.gz HXALFVFXDLMLQD-NTEUORMPSA-N -1 3 364.380 3.671 20 30 FHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CCO2 ZINC000826272939 608880423 /nfs/dbraw/zinc/88/04/23/608880423.db2.gz HXALFVFXDLMLQD-NTEUORMPSA-N -1 3 364.380 3.671 20 30 FHEDHM O=C(C=Cc1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402767 609271320 /nfs/dbraw/zinc/27/13/20/609271320.db2.gz BKNSIBIFOYFOJH-CLFYSBASSA-N -1 3 361.336 3.557 20 30 FHEDHM O=C(C=Cc1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402767 609271322 /nfs/dbraw/zinc/27/13/22/609271322.db2.gz BKNSIBIFOYFOJH-CLFYSBASSA-N -1 3 361.336 3.557 20 30 FHEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1SC ZINC000826178978 609271709 /nfs/dbraw/zinc/27/17/09/609271709.db2.gz SWKGNDBNFNUOTR-XVNBXDOJSA-N -1 3 370.409 3.632 20 30 FHEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1SC ZINC000826178978 609271710 /nfs/dbraw/zinc/27/17/10/609271710.db2.gz SWKGNDBNFNUOTR-XVNBXDOJSA-N -1 3 370.409 3.632 20 30 FHEDHM COc1cccc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)oc21 ZINC000826217966 609274006 /nfs/dbraw/zinc/27/40/06/609274006.db2.gz JWHCPTHTLWCAQP-VURMDHGXSA-N -1 3 364.336 3.657 20 30 FHEDHM COc1cccc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)oc21 ZINC000826217966 609274008 /nfs/dbraw/zinc/27/40/08/609274008.db2.gz JWHCPTHTLWCAQP-VURMDHGXSA-N -1 3 364.336 3.657 20 30 FHEDHM CC(=NNc1nc2ccccc2cc1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962824 609277366 /nfs/dbraw/zinc/27/73/66/609277366.db2.gz PRUGMTWXZJJYLP-UHFFFAOYSA-N -1 3 361.384 3.699 20 30 FHEDHM Cc1cccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1OC(F)F ZINC000826297629 609309773 /nfs/dbraw/zinc/30/97/73/609309773.db2.gz NHEWZVAFCRNXJD-HJWRWDBZSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1cccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1OC(F)F ZINC000826297629 609309775 /nfs/dbraw/zinc/30/97/75/609309775.db2.gz NHEWZVAFCRNXJD-HJWRWDBZSA-N -1 3 356.332 3.673 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C)c([N+](=O)[O-])c1 ZINC000823958574 609473079 /nfs/dbraw/zinc/47/30/79/609473079.db2.gz REZBJRPUHARNHQ-UHFFFAOYSA-N -1 3 371.788 3.573 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C)c([N+](=O)[O-])c1 ZINC000823958574 609473081 /nfs/dbraw/zinc/47/30/81/609473081.db2.gz REZBJRPUHARNHQ-UHFFFAOYSA-N -1 3 371.788 3.573 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nc2ccccc2s1 ZINC000823958577 609473276 /nfs/dbraw/zinc/47/32/76/609473276.db2.gz RHBJSTHHLDIEGP-UHFFFAOYSA-N -1 3 369.841 3.966 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc2ccccc2s1 ZINC000823958577 609473279 /nfs/dbraw/zinc/47/32/79/609473279.db2.gz RHBJSTHHLDIEGP-UHFFFAOYSA-N -1 3 369.841 3.966 20 30 FHEDHM C=CC[C@@H]1N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCC1(C)C ZINC000278160785 937279784 /nfs/dbraw/zinc/27/97/84/937279784.db2.gz CBHKQKKWZPCMNY-SFHVURJKSA-N -1 3 355.482 3.802 20 30 FHEDHM COc1cc(C(=O)C=Cc2c[nH]nc2-c2c(F)cccc2F)ccc1[O-] ZINC000255126042 929672175 /nfs/dbraw/zinc/67/21/75/929672175.db2.gz UNAYUKIZRMRJHW-SREVYHEPSA-N -1 3 356.328 3.965 20 30 FHEDHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(C#N)c1 ZINC000610338561 930028692 /nfs/dbraw/zinc/02/86/92/930028692.db2.gz GVVFRQLPOCWPMG-QMMMGPOBSA-N -1 3 361.275 3.966 20 30 FHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnc([C@@H]4CCCO4)s3)nc21 ZINC000536347970 930155041 /nfs/dbraw/zinc/15/50/41/930155041.db2.gz GQFVBFSUMJILTB-YPMHNXCESA-N -1 3 352.419 3.669 20 30 FHEDHM COc1cc(OC)c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1OC ZINC000430603917 932065447 /nfs/dbraw/zinc/06/54/47/932065447.db2.gz OQBVNRBBWWBMLT-LBPRGKRZSA-N -1 3 374.462 3.956 20 30 FHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccccc2Cn2cncn2)s1 ZINC000430619400 932342853 /nfs/dbraw/zinc/34/28/53/932342853.db2.gz ASZROGCMBRQVBM-OAHLLOKOSA-N -1 3 365.462 3.570 20 30 FHEDHM C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nc(-c2ccccc2)cs1 ZINC000157345072 932377600 /nfs/dbraw/zinc/37/76/00/932377600.db2.gz MSDIXMMWIWKAAL-ZDUSSCGKSA-N -1 3 369.471 3.721 20 30 FHEDHM N#CCC[C@@H](C#N)CNc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737684893 945113499 /nfs/dbraw/zinc/11/34/99/945113499.db2.gz QPOAIDKOPBPUJY-AWEZNQCLSA-N -1 3 359.393 3.514 20 30 FHEDHM N#CCC[C@@H](C#N)CNc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737684893 945113509 /nfs/dbraw/zinc/11/35/09/945113509.db2.gz QPOAIDKOPBPUJY-AWEZNQCLSA-N -1 3 359.393 3.514 20 30 FHEDHM COc1cc(C(=O)/C=C\c2c(Cl)nc3sccn23)c(OC)cc1[O-] ZINC000255506649 935639568 /nfs/dbraw/zinc/63/95/68/935639568.db2.gz VEHDGHDZFVFODA-ARJAWSKDSA-N -1 3 364.810 3.668 20 30 FHEDHM COCCOc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000255510320 935820227 /nfs/dbraw/zinc/82/02/27/935820227.db2.gz UWKAKPVULWUAJE-UHFFFAOYSA-N -1 3 350.212 3.931 20 30 FHEDHM [O-]c1c(O)ccc(C=Nc2ccc(OCc3ccccn3)c(F)c2)c1O ZINC000255544839 936074970 /nfs/dbraw/zinc/07/49/70/936074970.db2.gz XNHSHWSZUIGOBP-UHFFFAOYSA-N -1 3 354.337 3.667 20 30 FHEDHM O=C(C/N=C/c1cc(Cl)ccc1[O-])Nc1ccc(Br)cc1 ZINC000054892535 938304498 /nfs/dbraw/zinc/30/44/98/938304498.db2.gz SGKREBGGTSYULC-QGMBQPNBSA-N -1 3 367.630 3.866 20 30 FHEDHM C=CCOc1ccccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151587497 938588754 /nfs/dbraw/zinc/58/87/54/938588754.db2.gz LFKVEYUUCCDQHI-UHFFFAOYSA-N -1 3 362.223 3.650 20 30 FHEDHM CCCN(Cc1ccc(C#N)cc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000052825703 938614752 /nfs/dbraw/zinc/61/47/52/938614752.db2.gz RCLAIMYHLJAURE-UHFFFAOYSA-N -1 3 372.428 3.953 20 30 FHEDHM N#CC(=C([O-])c1ccc(O[C@@H]2CCOC2)cc1)c1nc(C2CC2)cs1 ZINC000647379431 939084865 /nfs/dbraw/zinc/08/48/65/939084865.db2.gz JWBHLGBRCGHFKM-CVEARBPZSA-N -1 3 354.431 3.678 20 30 FHEDHM Cc1cc([C@](C)(O)C/N=C\c2cc(Br)ccc2[O-])c(C)o1 ZINC000255712016 939136774 /nfs/dbraw/zinc/13/67/74/939136774.db2.gz DJIYUAZMCNFHIK-SHZLZMIXSA-N -1 3 352.228 3.691 20 30 FHEDHM O=[S@@](Cc1cccc(N=Cc2ccc(O)c([O-])c2O)c1)c1ccccc1 ZINC000255771552 939197892 /nfs/dbraw/zinc/19/78/92/939197892.db2.gz NZDBJUNLJVQGNK-SANMLTNESA-N -1 3 367.426 3.862 20 30 FHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3c(c2)SCC(=O)N3)s1 ZINC000685808676 940284402 /nfs/dbraw/zinc/28/44/02/940284402.db2.gz CVWNQDDEQWSWIS-LLVKDONJSA-N -1 3 371.487 3.975 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(C)(C)C)CC(C)(C)C ZINC000180632026 941057135 /nfs/dbraw/zinc/05/71/35/941057135.db2.gz ZTJIQTRXAIRGJT-UHFFFAOYSA-N -1 3 359.514 3.717 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)c1c(F)cccc1F ZINC000513621316 942043065 /nfs/dbraw/zinc/04/30/65/942043065.db2.gz DOOQPIMIEQGPLJ-CYBMUJFWSA-N -1 3 373.403 3.706 20 30 FHEDHM CC[C@H](CS(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1)OC ZINC000421143380 942372369 /nfs/dbraw/zinc/37/23/69/942372369.db2.gz ACOHVODPDZFQFN-MRXNPFEDSA-N -1 3 360.435 3.517 20 30 FHEDHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1)OC ZINC000421143379 942372498 /nfs/dbraw/zinc/37/24/98/942372498.db2.gz ACOHVODPDZFQFN-INIZCTEOSA-N -1 3 360.435 3.517 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C)[C@H]1c1ccccc1 ZINC000894295446 942579581 /nfs/dbraw/zinc/57/95/81/942579581.db2.gz CSPMLJOCIPBYQG-QKKBWIMNSA-N -1 3 363.461 3.818 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416303066 942632922 /nfs/dbraw/zinc/63/29/22/942632922.db2.gz GPAQBNGQCJZKPR-ZWKOTPCHSA-N -1 3 357.498 3.882 20 30 FHEDHM CC(C)c1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c([O-])c1 ZINC000053212273 943344696 /nfs/dbraw/zinc/34/46/96/943344696.db2.gz KFLNLBRWRBDPHY-UHFFFAOYSA-N -1 3 363.461 3.740 20 30 FHEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000435590629 943507119 /nfs/dbraw/zinc/50/71/19/943507119.db2.gz XJLAMYIMTIXSPA-BLLLJJGKSA-N -1 3 369.870 3.654 20 30 FHEDHM Cn1cc(CN[C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1C#N ZINC000417567168 943720181 /nfs/dbraw/zinc/72/01/81/943720181.db2.gz JCWZMUDMTJWXAH-MRXNPFEDSA-N -1 3 366.248 3.899 20 30 FHEDHM C=C[C@](C)(O)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436706723 944545878 /nfs/dbraw/zinc/54/58/78/944545878.db2.gz NFJNGXVSSBFWBL-IBGZPJMESA-N -1 3 354.431 3.935 20 30 FHEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(=O)NC(C)(C)CC)c(Cl)c1 ZINC000120088546 945787079 /nfs/dbraw/zinc/78/70/79/945787079.db2.gz WRLTXYAKWBPKCA-UHFFFAOYSA-N -1 3 358.891 3.576 20 30 FHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CCO2 ZINC000822212792 945996717 /nfs/dbraw/zinc/99/67/17/945996717.db2.gz HTHAFBNHQZNKKL-GHXNOFRVSA-N -1 3 352.419 3.594 20 30 FHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CCO2 ZINC000822212792 945996725 /nfs/dbraw/zinc/99/67/25/945996725.db2.gz HTHAFBNHQZNKKL-GHXNOFRVSA-N -1 3 352.419 3.594 20 30 FHEDHM C=CCn1cc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)nn1 ZINC001126089154 946170484 /nfs/dbraw/zinc/17/04/84/946170484.db2.gz UVNBKKXELHVVGE-UHFFFAOYSA-N -1 3 358.801 3.727 20 30 FHEDHM C=CCCC[C@H](C)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000823893875 946500608 /nfs/dbraw/zinc/50/06/08/946500608.db2.gz AIMPUBFESSTFLC-VIFPVBQESA-N -1 3 354.241 3.648 20 30 FHEDHM C=CCCC[C@H](C)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000823893875 946500621 /nfs/dbraw/zinc/50/06/21/946500621.db2.gz AIMPUBFESSTFLC-VIFPVBQESA-N -1 3 354.241 3.648 20 30 FHEDHM O=C(Cc1ccc(F)c(Br)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000054572817 946539561 /nfs/dbraw/zinc/53/95/61/946539561.db2.gz YOLAYJWEYAWGFX-UHFFFAOYSA-N -1 3 367.100 3.556 20 30 FHEDHM O=C(Cc1ccc(F)c(Br)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000054572817 946539569 /nfs/dbraw/zinc/53/95/69/946539569.db2.gz YOLAYJWEYAWGFX-UHFFFAOYSA-N -1 3 367.100 3.556 20 30 FHEDHM C[C@H](Nc1ccc(Br)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000824658067 946888254 /nfs/dbraw/zinc/88/82/54/946888254.db2.gz UYZPMVAXLDFDJY-JTQLQIEISA-N -1 3 369.226 3.674 20 30 FHEDHM C[C@H](Nc1ccc(Br)cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000824658067 946888265 /nfs/dbraw/zinc/88/82/65/946888265.db2.gz UYZPMVAXLDFDJY-JTQLQIEISA-N -1 3 369.226 3.674 20 30 FHEDHM N#CC(=C([O-])c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1ccccn1 ZINC000049457431 947074860 /nfs/dbraw/zinc/07/48/60/947074860.db2.gz XQBQVLQFBPJYDE-QGZVFWFLSA-N -1 3 371.375 3.687 20 30 FHEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000432290487 947116965 /nfs/dbraw/zinc/11/69/65/947116965.db2.gz CMJXIISJYHAOPH-UHFFFAOYSA-N -1 3 352.319 3.700 20 30 FHEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000523510645 947322718 /nfs/dbraw/zinc/32/27/18/947322718.db2.gz UEHHCDJFSUUNKG-UHFFFAOYSA-N -1 3 355.413 3.771 20 30 FHEDHM C=CCCC[C@H](C)NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001573334276 947452634 /nfs/dbraw/zinc/45/26/34/947452634.db2.gz CCKBRHKIEAKTHH-ZDUSSCGKSA-N -1 3 372.473 3.910 20 30 FHEDHM C=CCCC[C@H](C)NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001573334276 947452641 /nfs/dbraw/zinc/45/26/41/947452641.db2.gz CCKBRHKIEAKTHH-ZDUSSCGKSA-N -1 3 372.473 3.910 20 30 FHEDHM Cc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc2cccnc12 ZINC000826266500 947769946 /nfs/dbraw/zinc/76/99/46/947769946.db2.gz QKDHVVFSOFHFTN-GZTJUZNOSA-N -1 3 367.412 3.936 20 30 FHEDHM Cc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc2cccnc12 ZINC000826266500 947769950 /nfs/dbraw/zinc/76/99/50/947769950.db2.gz QKDHVVFSOFHFTN-GZTJUZNOSA-N -1 3 367.412 3.936 20 30 FHEDHM O=C(C=Cc1ccc(F)c(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826400572 948218487 /nfs/dbraw/zinc/21/84/87/948218487.db2.gz BMSZCVXPDFBPHR-ALCCZGGFSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)c(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826400572 948218494 /nfs/dbraw/zinc/21/84/94/948218494.db2.gz BMSZCVXPDFBPHR-ALCCZGGFSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCCCC2)cc1 ZINC000826401584 948221404 /nfs/dbraw/zinc/22/14/04/948221404.db2.gz BVXUPTNDKZRTID-JLHYYAGUSA-N -1 3 359.433 3.753 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(N2CCCCC2)cc1 ZINC000826401584 948221413 /nfs/dbraw/zinc/22/14/13/948221413.db2.gz BVXUPTNDKZRTID-JLHYYAGUSA-N -1 3 359.433 3.753 20 30 FHEDHM O=C(C=Cc1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403175 948226927 /nfs/dbraw/zinc/22/69/27/948226927.db2.gz LQGAGASDIFNODY-NTMALXAHSA-N -1 3 364.380 3.691 20 30 FHEDHM O=C(C=Cc1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403175 948226934 /nfs/dbraw/zinc/22/69/34/948226934.db2.gz LQGAGASDIFNODY-NTMALXAHSA-N -1 3 364.380 3.691 20 30 FHEDHM N#CC(=C([O-])C=Cc1cncc(F)c1)c1nc2ccccc2n1C(F)F ZINC000178988145 948436311 /nfs/dbraw/zinc/43/63/11/948436311.db2.gz SYIPCQACFTUPFV-URWSZGRFSA-N -1 3 356.307 3.855 20 30 FHEDHM COc1ccnc(OC)c1C(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000602264921 567961356 /nfs/dbraw/zinc/96/13/56/567961356.db2.gz YJFVVEKPQDQPFM-GFCCVEGCSA-N -1 3 357.435 3.603 20 30 FHEDHM N#C[C@@H](Cc1ccccc1)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000603549030 568118161 /nfs/dbraw/zinc/11/81/61/568118161.db2.gz QXXDPFMROOEQKM-MRXNPFEDSA-N -1 3 373.441 3.748 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCCC12CCCC2 ZINC000291529436 568192670 /nfs/dbraw/zinc/19/26/70/568192670.db2.gz SMCCUDCAAJGHPA-SFHVURJKSA-N -1 3 355.482 3.828 20 30 FHEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000604890510 568381768 /nfs/dbraw/zinc/38/17/68/568381768.db2.gz MFMCMKIXOLNRHW-QMMMGPOBSA-N -1 3 372.206 3.711 20 30 FHEDHM CCCc1sc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1CC ZINC000736500497 598926196 /nfs/dbraw/zinc/92/61/96/598926196.db2.gz PINHRVDZNAQSFO-UHFFFAOYSA-N -1 3 366.450 3.567 20 30 FHEDHM CCCc1sc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1CC ZINC000736500497 598926197 /nfs/dbraw/zinc/92/61/97/598926197.db2.gz PINHRVDZNAQSFO-UHFFFAOYSA-N -1 3 366.450 3.567 20 30 FHEDHM C=CCCCNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735412781 598978785 /nfs/dbraw/zinc/97/87/85/598978785.db2.gz KSVYROSPXXSGSF-UHFFFAOYSA-N -1 3 353.401 3.963 20 30 FHEDHM C=CCCCNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735412781 598978787 /nfs/dbraw/zinc/97/87/87/598978787.db2.gz KSVYROSPXXSGSF-UHFFFAOYSA-N -1 3 353.401 3.963 20 30 FHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccccc1OC(F)F ZINC000823503993 599114037 /nfs/dbraw/zinc/11/40/37/599114037.db2.gz LCILAWASPWMPQQ-JLHYYAGUSA-N -1 3 368.343 3.681 20 30 FHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccccc1OC(F)F ZINC000823503993 599114039 /nfs/dbraw/zinc/11/40/39/599114039.db2.gz LCILAWASPWMPQQ-JLHYYAGUSA-N -1 3 368.343 3.681 20 30 FHEDHM CCCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000821133816 599112183 /nfs/dbraw/zinc/11/21/83/599112183.db2.gz FWEMKWWJUAPWIL-WJDWOHSUSA-N -1 3 360.417 3.868 20 30 FHEDHM CCCOc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000821133816 599112184 /nfs/dbraw/zinc/11/21/84/599112184.db2.gz FWEMKWWJUAPWIL-WJDWOHSUSA-N -1 3 360.417 3.868 20 30 FHEDHM COc1c(C)cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1C ZINC000821698666 599113226 /nfs/dbraw/zinc/11/32/26/599113226.db2.gz TYTZWEBTMMZJLN-MHWRWJLKSA-N -1 3 360.417 3.705 20 30 FHEDHM COc1c(C)cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1C ZINC000821698666 599113228 /nfs/dbraw/zinc/11/32/28/599113228.db2.gz TYTZWEBTMMZJLN-MHWRWJLKSA-N -1 3 360.417 3.705 20 30 FHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(Cl)c(F)c1 ZINC000823504216 599117128 /nfs/dbraw/zinc/11/71/28/599117128.db2.gz NEVFOJXFFDAXJT-KPKJPENVSA-N -1 3 354.772 3.872 20 30 FHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(Cl)c(F)c1 ZINC000823504216 599117131 /nfs/dbraw/zinc/11/71/31/599117131.db2.gz NEVFOJXFFDAXJT-KPKJPENVSA-N -1 3 354.772 3.872 20 30 FHEDHM CC(C)C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000735755582 599195634 /nfs/dbraw/zinc/19/56/34/599195634.db2.gz HEDQWVAYXICFCP-SFHVURJKSA-N -1 3 360.421 3.507 20 30 FHEDHM CC(C)C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000735755582 599195636 /nfs/dbraw/zinc/19/56/36/599195636.db2.gz HEDQWVAYXICFCP-SFHVURJKSA-N -1 3 360.421 3.507 20 30 FHEDHM CC(C)CN(Cc1ccc(C#N)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000735831048 598242587 /nfs/dbraw/zinc/24/25/87/598242587.db2.gz MPGBYRCXEIYHIN-UHFFFAOYSA-N -1 3 350.401 3.540 20 30 FHEDHM CC(C)CN(Cc1ccc(C#N)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000735831048 598242589 /nfs/dbraw/zinc/24/25/89/598242589.db2.gz MPGBYRCXEIYHIN-UHFFFAOYSA-N -1 3 350.401 3.540 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccs1 ZINC000735451200 598315363 /nfs/dbraw/zinc/31/53/63/598315363.db2.gz SSVOWZQVRAEFRU-UHFFFAOYSA-N -1 3 352.345 3.783 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccs1 ZINC000735451200 598315364 /nfs/dbraw/zinc/31/53/64/598315364.db2.gz SSVOWZQVRAEFRU-UHFFFAOYSA-N -1 3 352.345 3.783 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc3ccccc3c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202373 598377446 /nfs/dbraw/zinc/37/74/46/598377446.db2.gz LTJFOUQHQWTHFW-PKNBQFBNSA-N -1 3 369.428 3.972 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc3ccccc3c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202373 598377447 /nfs/dbraw/zinc/37/74/47/598377447.db2.gz LTJFOUQHQWTHFW-PKNBQFBNSA-N -1 3 369.428 3.972 20 30 FHEDHM C=CCOc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000735436088 598437421 /nfs/dbraw/zinc/43/74/21/598437421.db2.gz FICQWZBRVHQMSY-UHFFFAOYSA-N -1 3 354.801 3.531 20 30 FHEDHM C=CCOc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000735436088 598437422 /nfs/dbraw/zinc/43/74/22/598437422.db2.gz FICQWZBRVHQMSY-UHFFFAOYSA-N -1 3 354.801 3.531 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)(F)F ZINC000735451271 598492040 /nfs/dbraw/zinc/49/20/40/598492040.db2.gz WHMFWHUBYNGCFM-UHFFFAOYSA-N -1 3 362.315 3.601 20 30 FHEDHM C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140376 598573049 /nfs/dbraw/zinc/57/30/49/598573049.db2.gz UXJNBGDWRHIHLK-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140376 598573050 /nfs/dbraw/zinc/57/30/50/598573050.db2.gz UXJNBGDWRHIHLK-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735416840 598759975 /nfs/dbraw/zinc/75/99/75/598759975.db2.gz ROYXUQQPRZMWOR-OAHLLOKOSA-N -1 3 368.485 3.706 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735416840 598759977 /nfs/dbraw/zinc/75/99/77/598759977.db2.gz ROYXUQQPRZMWOR-OAHLLOKOSA-N -1 3 368.485 3.706 20 30 FHEDHM C=CCC[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000819733902 607366923 /nfs/dbraw/zinc/36/69/23/607366923.db2.gz FDODJALKUMLSPW-INIZCTEOSA-N -1 3 364.478 3.861 20 30 FHEDHM C=CCC[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000819733902 607366925 /nfs/dbraw/zinc/36/69/25/607366925.db2.gz FDODJALKUMLSPW-INIZCTEOSA-N -1 3 364.478 3.861 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC/C=C\c1ccccc1 ZINC000735420051 599543436 /nfs/dbraw/zinc/54/34/36/599543436.db2.gz MDVYDIOODRFRFQ-WDZFZDKYSA-N -1 3 373.460 3.875 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC/C=C\c1ccccc1 ZINC000735420051 599543438 /nfs/dbraw/zinc/54/34/38/599543438.db2.gz MDVYDIOODRFRFQ-WDZFZDKYSA-N -1 3 373.460 3.875 20 30 FHEDHM N#Cc1cccc(OC2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1 ZINC000739133841 600406277 /nfs/dbraw/zinc/40/62/77/600406277.db2.gz QBIQMBYOXOXOHF-IBGZPJMESA-N -1 3 370.836 3.881 20 30 FHEDHM CN(Cc1ccccc1OC(F)(F)F)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494428 600563606 /nfs/dbraw/zinc/56/36/06/600563606.db2.gz OQSAGLYZNCCINO-MRXNPFEDSA-N -1 3 364.323 3.715 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Br)c1 ZINC000822924130 607455357 /nfs/dbraw/zinc/45/53/57/607455357.db2.gz YFIFTMUNYFBKPT-VOTSOKGWSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Br)c1 ZINC000822924130 607455358 /nfs/dbraw/zinc/45/53/58/607455358.db2.gz YFIFTMUNYFBKPT-VOTSOKGWSA-N -1 3 373.185 3.664 20 30 FHEDHM C[C@H](CC(=O)[O-])SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000736552431 600585167 /nfs/dbraw/zinc/58/51/67/600585167.db2.gz MXFMCPFETHDDND-YPMHNXCESA-N -1 3 360.460 3.583 20 30 FHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000821977284 607459513 /nfs/dbraw/zinc/45/95/13/607459513.db2.gz FJUWTRRMHVFYPA-GQCTYLIASA-N -1 3 358.373 3.763 20 30 FHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000821977284 607459514 /nfs/dbraw/zinc/45/95/14/607459514.db2.gz FJUWTRRMHVFYPA-GQCTYLIASA-N -1 3 358.373 3.763 20 30 FHEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC000833073972 601311629 /nfs/dbraw/zinc/31/16/29/601311629.db2.gz LFWUYEDBROMDRH-LJQANCHMSA-N -1 3 372.371 3.506 20 30 FHEDHM Cc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc(C)c1OCC(=O)[O-] ZINC000832859762 601503842 /nfs/dbraw/zinc/50/38/42/601503842.db2.gz WCTXPUMQDHICEJ-CQSZACIVSA-N -1 3 372.446 3.837 20 30 FHEDHM C[C@H](C(=O)[O-])[C@H](NCc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000826054842 601653207 /nfs/dbraw/zinc/65/32/07/601653207.db2.gz RBKYWLBURHHWJV-UGSOOPFHSA-N -1 3 358.825 3.794 20 30 FHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000827717156 602303307 /nfs/dbraw/zinc/30/33/07/602303307.db2.gz DLWYCUBDWJPMPA-ZUOKHONESA-N -1 3 368.408 3.963 20 30 FHEDHM C=C(Cl)COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819729973 606305138 /nfs/dbraw/zinc/30/51/38/606305138.db2.gz OLFZHEADIZZMKT-SREVYHEPSA-N -1 3 372.837 3.956 20 30 FHEDHM C=C(Cl)COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819729973 606305139 /nfs/dbraw/zinc/30/51/39/606305139.db2.gz OLFZHEADIZZMKT-SREVYHEPSA-N -1 3 372.837 3.956 20 30 FHEDHM C=C(Cl)COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819730219 606390057 /nfs/dbraw/zinc/39/00/57/606390057.db2.gz SRURJDZSQGLUAP-SOFGYWHQSA-N -1 3 372.837 3.956 20 30 FHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CCO2 ZINC000822213133 606392715 /nfs/dbraw/zinc/39/27/15/606392715.db2.gz WCHVMPKTBUWRCP-XFXZXTDPSA-N -1 3 352.419 3.594 20 30 FHEDHM N#Cc1ccc(CSc2ccccc2-c2nnn[n-]2)c(OC(F)F)c1 ZINC000822825395 606591364 /nfs/dbraw/zinc/59/13/64/606591364.db2.gz DEWFOHQDWYETOB-UHFFFAOYSA-N -1 3 359.361 3.632 20 30 FHEDHM N#Cc1ccc(CSc2ccccc2-c2nn[n-]n2)c(OC(F)F)c1 ZINC000822825395 606591366 /nfs/dbraw/zinc/59/13/66/606591366.db2.gz DEWFOHQDWYETOB-UHFFFAOYSA-N -1 3 359.361 3.632 20 30 FHEDHM N#Cc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000822833885 606931783 /nfs/dbraw/zinc/93/17/83/606931783.db2.gz ZDIUFFKGOKAJOF-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM N#Cc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000822833885 606931784 /nfs/dbraw/zinc/93/17/84/606931784.db2.gz ZDIUFFKGOKAJOF-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM C=CCC(CC=C)C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000819734539 607018058 /nfs/dbraw/zinc/01/80/58/607018058.db2.gz QJFDPNWQWSSTLS-UHFFFAOYSA-N -1 3 363.421 3.761 20 30 FHEDHM C=CCC(CC=C)C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000819734539 607018060 /nfs/dbraw/zinc/01/80/60/607018060.db2.gz QJFDPNWQWSSTLS-UHFFFAOYSA-N -1 3 363.421 3.761 20 30 FHEDHM Cc1cc(Cl)cc2c1OCCC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000822202348 607172330 /nfs/dbraw/zinc/17/23/30/607172330.db2.gz WFNLUUFLSVXRAZ-YFHOEESVSA-N -1 3 372.837 3.939 20 30 FHEDHM CC(C)c1cccc2c1OCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O 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3.789 20 30 FHEDHM O=C(C=Cc1cc(F)ccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000826399787 608048170 /nfs/dbraw/zinc/04/81/70/608048170.db2.gz GBNDEPUAHILGQW-DAXSKMNVSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cc(F)ccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000826399787 608048171 /nfs/dbraw/zinc/04/81/71/608048171.db2.gz GBNDEPUAHILGQW-DAXSKMNVSA-N -1 3 373.185 3.664 20 30 FHEDHM CC(C)c1nc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccn21 ZINC000824358233 608092475 /nfs/dbraw/zinc/09/24/75/608092475.db2.gz CXFRNORGWFNAAP-SREVYHEPSA-N -1 3 364.434 3.595 20 30 FHEDHM CC(C)c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccn21 ZINC000824358233 608092476 /nfs/dbraw/zinc/09/24/76/608092476.db2.gz CXFRNORGWFNAAP-SREVYHEPSA-N -1 3 364.434 3.595 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(Cl)c(F)c2)cc1-c1nnn[n-]1 ZINC000826191200 608229123 /nfs/dbraw/zinc/22/91/23/608229123.db2.gz ZVIDGKOIDLMFDQ-QHHAFSJGSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(Cl)c(F)c2)cc1-c1nn[n-]n1 ZINC000826191200 608229124 /nfs/dbraw/zinc/22/91/24/608229124.db2.gz ZVIDGKOIDLMFDQ-QHHAFSJGSA-N -1 3 358.760 3.564 20 30 FHEDHM N#Cc1ccc(C2=CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000826385163 608442347 /nfs/dbraw/zinc/44/23/47/608442347.db2.gz ZVYUFQYMSAXJOS-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM N#Cc1ccc(C2=CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)cc1 ZINC000826385163 608442348 /nfs/dbraw/zinc/44/23/48/608442348.db2.gz ZVYUFQYMSAXJOS-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM N#Cc1ccc(C2=CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000826384716 608442491 /nfs/dbraw/zinc/44/24/91/608442491.db2.gz GYXRSAROEZNQFZ-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM N#Cc1ccc(C2=CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cc1 ZINC000826384716 608442493 /nfs/dbraw/zinc/44/24/93/608442493.db2.gz GYXRSAROEZNQFZ-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(Cl)c1 ZINC000825028895 608535565 /nfs/dbraw/zinc/53/55/65/608535565.db2.gz LDEGIDMZSOKHHM-UHFFFAOYSA-N -1 3 362.224 3.795 20 30 FHEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(Cl)c1 ZINC000825028895 608535566 /nfs/dbraw/zinc/53/55/66/608535566.db2.gz LDEGIDMZSOKHHM-UHFFFAOYSA-N -1 3 362.224 3.795 20 30 FHEDHM C[C@H](CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(Cl)c1 ZINC000824385092 608538613 /nfs/dbraw/zinc/53/86/13/608538613.db2.gz LRFHDVUOUIFOON-SECBINFHSA-N -1 3 362.224 3.770 20 30 FHEDHM C[C@H](CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(Cl)c1 ZINC000824385092 608538615 /nfs/dbraw/zinc/53/86/15/608538615.db2.gz LRFHDVUOUIFOON-SECBINFHSA-N -1 3 362.224 3.770 20 30 FHEDHM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826208782 608875998 /nfs/dbraw/zinc/87/59/98/608875998.db2.gz ZVYJYVWMDPMAIL-UTCJRWHESA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826208782 608876001 /nfs/dbraw/zinc/87/60/01/608876001.db2.gz ZVYJYVWMDPMAIL-UTCJRWHESA-N -1 3 358.760 3.564 20 30 FHEDHM O=C(C=Cc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399859 609270608 /nfs/dbraw/zinc/27/06/08/609270608.db2.gz IFOLGFSZDWFCLA-BAQGIRSFSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399859 609270610 /nfs/dbraw/zinc/27/06/10/609270610.db2.gz IFOLGFSZDWFCLA-BAQGIRSFSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402410 609271109 /nfs/dbraw/zinc/27/11/09/609271109.db2.gz SYPBVCFYICFETQ-SOFGYWHQSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402410 609271110 /nfs/dbraw/zinc/27/11/10/609271110.db2.gz SYPBVCFYICFETQ-SOFGYWHQSA-N -1 3 362.286 3.921 20 30 FHEDHM C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662213 609346057 /nfs/dbraw/zinc/34/60/57/609346057.db2.gz FVOXIPXVYZQOSS-CYBMUJFWSA-N -1 3 366.400 3.861 20 30 FHEDHM C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662213 609346059 /nfs/dbraw/zinc/34/60/59/609346059.db2.gz FVOXIPXVYZQOSS-CYBMUJFWSA-N -1 3 366.400 3.861 20 30 FHEDHM FC(F)C(F)(F)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826369920 609453386 /nfs/dbraw/zinc/45/33/86/609453386.db2.gz VPJUMDWAHBTVGT-UHFFFAOYSA-N -1 3 360.258 3.878 20 30 FHEDHM FC(F)C(F)(F)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826369920 609453388 /nfs/dbraw/zinc/45/33/88/609453388.db2.gz VPJUMDWAHBTVGT-UHFFFAOYSA-N -1 3 360.258 3.878 20 30 FHEDHM COc1ccc(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000826188022 609471884 /nfs/dbraw/zinc/47/18/84/609471884.db2.gz LSYJQKABHHNVQW-UHFFFAOYSA-N -1 3 360.780 3.504 20 30 FHEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC000826188022 609471885 /nfs/dbraw/zinc/47/18/85/609471885.db2.gz LSYJQKABHHNVQW-UHFFFAOYSA-N -1 3 360.780 3.504 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000823958824 609473572 /nfs/dbraw/zinc/47/35/72/609473572.db2.gz YBYJJMZVZZDRSN-UHFFFAOYSA-N -1 3 366.734 3.774 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000823958824 609473573 /nfs/dbraw/zinc/47/35/73/609473573.db2.gz YBYJJMZVZZDRSN-UHFFFAOYSA-N -1 3 366.734 3.774 20 30 FHEDHM FC(F)(F)c1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826368908 609474922 /nfs/dbraw/zinc/47/49/22/609474922.db2.gz FWOAWZBNHJZCIE-UHFFFAOYSA-N -1 3 366.734 3.985 20 30 FHEDHM FC(F)(F)c1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826368908 609474923 /nfs/dbraw/zinc/47/49/23/609474923.db2.gz FWOAWZBNHJZCIE-UHFFFAOYSA-N -1 3 366.734 3.985 20 30 FHEDHM CC(C)c1ccccc1NC(=O)C(C#N)Cn1[n-]c(C(F)(F)F)cc1=O ZINC000122001883 936313727 /nfs/dbraw/zinc/31/37/27/936313727.db2.gz GUQGNXQMAAPILD-LLVKDONJSA-N -1 3 366.343 3.509 20 30 FHEDHM CN(C(=O)c1cccs1)c1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000049457318 927074391 /nfs/dbraw/zinc/07/43/91/927074391.db2.gz KHSVDUFZWYTDKX-OAHLLOKOSA-N -1 3 361.426 3.910 20 30 FHEDHM CSc1ccc2c(c1)CCCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000748132984 930016684 /nfs/dbraw/zinc/01/66/84/930016684.db2.gz JAOAAGYHGRCXBC-UHFFFAOYSA-N -1 3 360.504 3.569 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccccc1C(C)C ZINC000580243253 930398287 /nfs/dbraw/zinc/39/82/87/930398287.db2.gz MHKREWUNDZVJQR-UHFFFAOYSA-N -1 3 351.450 3.995 20 30 FHEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000255208118 930664222 /nfs/dbraw/zinc/66/42/22/930664222.db2.gz MGAXAIRMIHMKHK-YLUCWHJUSA-N -1 3 350.256 3.921 20 30 FHEDHM COc1ccc(-c2ncc(C([O-])=C(C#N)c3ccccn3)s2)cc1OC ZINC000581171037 931638269 /nfs/dbraw/zinc/63/82/69/931638269.db2.gz JPFNCDIXIAJDHX-ZDUSSCGKSA-N -1 3 365.414 3.712 20 30 FHEDHM COCCOc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430614099 932284247 /nfs/dbraw/zinc/28/42/47/932284247.db2.gz YCUOOHCMFCXHKR-HNNXBMFYSA-N -1 3 358.463 3.956 20 30 FHEDHM CCN1CCN(c2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])c(C)c2)CC1 ZINC000255381938 932959388 /nfs/dbraw/zinc/95/93/88/932959388.db2.gz SWLCTYYDLCPNEW-UHFFFAOYSA-N -1 3 368.437 3.501 20 30 FHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(F)c1 ZINC000135380127 933358068 /nfs/dbraw/zinc/35/80/68/933358068.db2.gz VDXYTEYBHXMPAA-UHFFFAOYSA-N -1 3 362.279 3.656 20 30 FHEDHM C=C(C)COc1cc(CNCc2ccccc2CC(=O)[O-])ccc1OC ZINC000277035423 934461035 /nfs/dbraw/zinc/46/10/35/934461035.db2.gz QDDGNXHMWZOESK-UHFFFAOYSA-N -1 3 355.434 3.567 20 30 FHEDHM N#Cc1ccc(Nc2cccc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c2)cc1 ZINC000473853569 945076759 /nfs/dbraw/zinc/07/67/59/945076759.db2.gz WJYRNXYRTPDRAI-LJQANCHMSA-N -1 3 373.416 3.551 20 30 FHEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000121781443 935310214 /nfs/dbraw/zinc/31/02/14/935310214.db2.gz BINQWCDGBHWGAY-NSHDSACASA-N -1 3 354.781 3.575 20 30 FHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000255622245 939011921 /nfs/dbraw/zinc/01/19/21/939011921.db2.gz HUPNKAXCODDIJB-WQFTWXBESA-N -1 3 362.832 3.677 20 30 FHEDHM O=C1[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCN1c1c(F)cccc1F ZINC000255846761 939924825 /nfs/dbraw/zinc/92/48/25/939924825.db2.gz QALPAUPKGACVKE-DGKJUAPTSA-N -1 3 350.752 3.548 20 30 FHEDHM [O-]c1c(O)ccc(C=Nc2cccc(-c3nnc4n3CCCCC4)c2)c1O ZINC000255871657 940276143 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C=CCCc1ccccc1NC(=O)C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000436690039 944528710 /nfs/dbraw/zinc/52/87/10/944528710.db2.gz GDTFEKJENGXIRJ-UHFFFAOYSA-N -1 3 374.444 3.503 20 30 FHEDHM CC(C)c1ccc([C@@H](C)CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735923057 944714446 /nfs/dbraw/zinc/71/44/46/944714446.db2.gz JNLAVOPLUOQYBR-AWEZNQCLSA-N -1 3 374.448 3.994 20 30 FHEDHM CC(C)c1ccc([C@@H](C)CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735923057 944714449 /nfs/dbraw/zinc/71/44/49/944714449.db2.gz JNLAVOPLUOQYBR-AWEZNQCLSA-N -1 3 374.448 3.994 20 30 FHEDHM CCCCCCCS(=O)(=O)[N-]c1ccccc1-c1nncn1CC ZINC000194792483 944740256 /nfs/dbraw/zinc/74/02/56/944740256.db2.gz SLVRPPCTZVZASM-UHFFFAOYSA-N -1 3 350.488 3.677 20 30 FHEDHM N#CC(=C([O-])c1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000518805806 944785954 /nfs/dbraw/zinc/78/59/54/944785954.db2.gz XCQCZDMQWIEASZ-GFCCVEGCSA-N -1 3 374.278 3.969 20 30 FHEDHM C=C(C)COc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)ccc1OC ZINC000426816010 944836953 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O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CSc2c(Cl)cccc21 ZINC000823503548 946439246 /nfs/dbraw/zinc/43/92/46/946439246.db2.gz GUSXRVMEWKKPHZ-VURMDHGXSA-N -1 3 360.851 3.954 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823498519 946439781 /nfs/dbraw/zinc/43/97/81/946439781.db2.gz SORJAEKATBDJIH-RMKNXTFCSA-N -1 3 358.810 3.630 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823498519 946439787 /nfs/dbraw/zinc/43/97/87/946439787.db2.gz SORJAEKATBDJIH-RMKNXTFCSA-N -1 3 358.810 3.630 20 30 FHEDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)ccc2O1 ZINC000106006906 946728782 /nfs/dbraw/zinc/72/87/82/946728782.db2.gz PQILKTFSVKOYQF-CYBMUJFWSA-N -1 3 356.447 3.612 20 30 FHEDHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824614222 946863877 /nfs/dbraw/zinc/86/38/77/946863877.db2.gz ZONIDICUSDIRSN-CQSZACIVSA-N -1 3 370.416 3.849 20 30 FHEDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@H]2CCSC2)CC1 ZINC000328692407 946991071 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N#Cc1ccc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)nc1Cl ZINC001126236094 947806453 /nfs/dbraw/zinc/80/64/53/947806453.db2.gz AOYFCGZLLZANLS-UHFFFAOYSA-N -1 3 359.773 3.517 20 30 FHEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826295407 947856091 /nfs/dbraw/zinc/85/60/91/947856091.db2.gz GAIYDRDAJACNJR-VURMDHGXSA-N -1 3 374.379 3.600 20 30 FHEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826295407 947856102 /nfs/dbraw/zinc/85/61/02/947856102.db2.gz GAIYDRDAJACNJR-VURMDHGXSA-N -1 3 374.379 3.600 20 30 FHEDHM O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399831 948215894 /nfs/dbraw/zinc/21/58/94/948215894.db2.gz HGYXJXHNOHUJPY-BAQGIRSFSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399831 948215899 /nfs/dbraw/zinc/21/58/99/948215899.db2.gz HGYXJXHNOHUJPY-BAQGIRSFSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826402846 948226498 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N#Cc1cc2c(nc1SCc1noc(-c3ccccc3[O-])n1)CCCC2 ZINC000436703569 568372944 /nfs/dbraw/zinc/37/29/44/568372944.db2.gz HHINTADIIMSDKE-UHFFFAOYSA-N -1 3 364.430 3.880 20 30 FHEDHM CCN(CC)c1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000736531485 598824904 /nfs/dbraw/zinc/82/49/04/598824904.db2.gz HQLIOKJBOBHTHH-LUAWRHEFSA-N -1 3 365.412 3.748 20 30 FHEDHM CCN(CC)c1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000736531485 598824905 /nfs/dbraw/zinc/82/49/05/598824905.db2.gz HQLIOKJBOBHTHH-LUAWRHEFSA-N -1 3 365.412 3.748 20 30 FHEDHM CC[C@@H](C)[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000736320743 598918387 /nfs/dbraw/zinc/91/83/87/598918387.db2.gz WUQJAJLHFCIOGI-ACJLOTCBSA-N -1 3 360.421 3.507 20 30 FHEDHM CC[C@@H](C)[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000736320743 598918389 /nfs/dbraw/zinc/91/83/89/598918389.db2.gz WUQJAJLHFCIOGI-ACJLOTCBSA-N -1 3 360.421 3.507 20 30 FHEDHM CCCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821133824 599112894 /nfs/dbraw/zinc/11/28/94/599112894.db2.gz GCJGRZYTVBVUHJ-FOWTUZBSSA-N -1 3 360.417 3.868 20 30 FHEDHM CCCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821133824 599112895 /nfs/dbraw/zinc/11/28/95/599112895.db2.gz GCJGRZYTVBVUHJ-FOWTUZBSSA-N -1 3 360.417 3.868 20 30 FHEDHM COc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000737081842 599128598 /nfs/dbraw/zinc/12/85/98/599128598.db2.gz CXGGNEVVOXVVRY-UHFFFAOYSA-N -1 3 363.208 3.628 20 30 FHEDHM COc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000737081842 599128600 /nfs/dbraw/zinc/12/86/00/599128600.db2.gz CXGGNEVVOXVVRY-UHFFFAOYSA-N -1 3 363.208 3.628 20 30 FHEDHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735922307 599193871 /nfs/dbraw/zinc/19/38/71/599193871.db2.gz FPPJIQPVRVCUNW-RBUKOAKNSA-N -1 3 372.432 3.604 20 30 FHEDHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735922307 599193874 /nfs/dbraw/zinc/19/38/74/599193874.db2.gz FPPJIQPVRVCUNW-RBUKOAKNSA-N -1 3 372.432 3.604 20 30 FHEDHM C=CCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819733697 599220162 /nfs/dbraw/zinc/22/01/62/599220162.db2.gz AHARPDZNTOEIRZ-UHFFFAOYSA-N -1 3 353.357 3.703 20 30 FHEDHM C=CCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819733697 599220165 /nfs/dbraw/zinc/22/01/65/599220165.db2.gz AHARPDZNTOEIRZ-UHFFFAOYSA-N -1 3 353.357 3.703 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1F ZINC000735451122 598315081 /nfs/dbraw/zinc/31/50/81/598315081.db2.gz PIRFVGCNFHEOGX-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1F ZINC000735451122 598315083 /nfs/dbraw/zinc/31/50/83/598315083.db2.gz PIRFVGCNFHEOGX-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM C=CCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C(C)(C)C)C2 ZINC000735409289 598324818 /nfs/dbraw/zinc/32/48/18/598324818.db2.gz YEEAUUAKCXMXQA-LLVKDONJSA-N -1 3 359.499 3.984 20 30 FHEDHM C=CCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)(C)C)C2 ZINC000735409289 598324821 /nfs/dbraw/zinc/32/48/21/598324821.db2.gz YEEAUUAKCXMXQA-LLVKDONJSA-N -1 3 359.499 3.984 20 30 FHEDHM CCC=C(C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736412240 598331837 /nfs/dbraw/zinc/33/18/37/598331837.db2.gz RUFDTFUZNAVBSK-YIEQYZEGSA-N -1 3 364.434 3.523 20 30 FHEDHM CCC=C(C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736412240 598331838 /nfs/dbraw/zinc/33/18/38/598331838.db2.gz RUFDTFUZNAVBSK-YIEQYZEGSA-N -1 3 364.434 3.523 20 30 FHEDHM O=C(C=Cc1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737804673 598377843 /nfs/dbraw/zinc/37/78/43/598377843.db2.gz DIZWNLOGXIWEJC-ZHACJKMWSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737804673 598377844 /nfs/dbraw/zinc/37/78/44/598377844.db2.gz DIZWNLOGXIWEJC-ZHACJKMWSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737798617 598538085 /nfs/dbraw/zinc/53/80/85/598538085.db2.gz MXRVLYQYNRIAAQ-RUDMXATFSA-N -1 3 360.295 3.661 20 30 FHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737798617 598538087 /nfs/dbraw/zinc/53/80/87/598538087.db2.gz MXRVLYQYNRIAAQ-RUDMXATFSA-N -1 3 360.295 3.661 20 30 FHEDHM N#CC1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCCC1 ZINC000737673860 598555242 /nfs/dbraw/zinc/55/52/42/598555242.db2.gz DQPFPCCEBAMWRK-UHFFFAOYSA-N -1 3 374.404 3.681 20 30 FHEDHM N#CC1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCCC1 ZINC000737673860 598555244 /nfs/dbraw/zinc/55/52/44/598555244.db2.gz DQPFPCCEBAMWRK-UHFFFAOYSA-N -1 3 374.404 3.681 20 30 FHEDHM N#Cc1cccc(Oc2ccc(Nc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737730692 598557077 /nfs/dbraw/zinc/55/70/77/598557077.db2.gz PRXWUXWHISGMHU-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM N#Cc1cccc(Oc2ccc(Nc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737730692 598557079 /nfs/dbraw/zinc/55/70/79/598557079.db2.gz PRXWUXWHISGMHU-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3cccc(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000737120175 598787894 /nfs/dbraw/zinc/78/78/94/598787894.db2.gz LFPGGMPPDRUQFU-VURMDHGXSA-N -1 3 360.373 3.826 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3cccc(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000737120175 598787896 /nfs/dbraw/zinc/78/78/96/598787896.db2.gz LFPGGMPPDRUQFU-VURMDHGXSA-N -1 3 360.373 3.826 20 30 FHEDHM FC(F)Oc1cccc(Cl)c1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000737638665 598788861 /nfs/dbraw/zinc/78/88/61/598788861.db2.gz JDXQDGSSJXGQKQ-UHFFFAOYSA-N -1 3 364.743 3.568 20 30 FHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000736645169 599367740 /nfs/dbraw/zinc/36/77/40/599367740.db2.gz WXUXCWFWQZBELZ-SOFGYWHQSA-N -1 3 354.797 3.815 20 30 FHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000736645169 599367742 /nfs/dbraw/zinc/36/77/42/599367742.db2.gz WXUXCWFWQZBELZ-SOFGYWHQSA-N -1 3 354.797 3.815 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C1CCCCC1 ZINC000819743759 599675301 /nfs/dbraw/zinc/67/53/01/599675301.db2.gz PRJHBRDXHFPFRM-HNNXBMFYSA-N -1 3 368.485 3.533 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C1CCCCC1 ZINC000819743759 599675302 /nfs/dbraw/zinc/67/53/02/599675302.db2.gz PRJHBRDXHFPFRM-HNNXBMFYSA-N -1 3 368.485 3.533 20 30 FHEDHM C=CCC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000819734113 607404401 /nfs/dbraw/zinc/40/44/01/607404401.db2.gz IXGSAAIPEGBLBT-AVCMKVNGSA-N -1 3 359.433 3.704 20 30 FHEDHM C=CCC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000819734113 607404403 /nfs/dbraw/zinc/40/44/03/607404403.db2.gz IXGSAAIPEGBLBT-AVCMKVNGSA-N -1 3 359.433 3.704 20 30 FHEDHM C=CCC[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734815 607405224 /nfs/dbraw/zinc/40/52/24/607405224.db2.gz UQHVLUATFLBUFB-IBGZPJMESA-N -1 3 361.449 3.623 20 30 FHEDHM C=CCC[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734815 607405226 /nfs/dbraw/zinc/40/52/26/607405226.db2.gz UQHVLUATFLBUFB-IBGZPJMESA-N -1 3 361.449 3.623 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(-c2ccncc2)c1 ZINC000822922320 607460281 /nfs/dbraw/zinc/46/02/81/607460281.db2.gz FMRYZBXHEBWXAW-SREVYHEPSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(-c2ccncc2)c1 ZINC000822922320 607460283 /nfs/dbraw/zinc/46/02/83/607460283.db2.gz FMRYZBXHEBWXAW-SREVYHEPSA-N -1 3 371.375 3.964 20 30 FHEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1ccc(Cl)cc1Cl ZINC000822741348 607463715 /nfs/dbraw/zinc/46/37/15/607463715.db2.gz VQJDGBGSXXDGNG-UHFFFAOYSA-N -1 3 351.172 3.759 20 30 FHEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1ccc(Cl)cc1Cl ZINC000822741348 607463716 /nfs/dbraw/zinc/46/37/16/607463716.db2.gz VQJDGBGSXXDGNG-UHFFFAOYSA-N -1 3 351.172 3.759 20 30 FHEDHM Cc1ccc(C)c(OC2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832926056 601312697 /nfs/dbraw/zinc/31/26/97/601312697.db2.gz DOGDQDPNTUCREN-NRFANRHFSA-N -1 3 364.445 3.844 20 30 FHEDHM Cc1sc(C(=O)[O-])cc1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000833032971 601629884 /nfs/dbraw/zinc/62/98/84/601629884.db2.gz RFMILNTWDZAYQV-UHFFFAOYSA-N -1 3 356.447 3.670 20 30 FHEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000827710315 602303067 /nfs/dbraw/zinc/30/30/67/602303067.db2.gz PSHYBZGEELEZCP-RNODOKPDSA-N -1 3 368.408 3.963 20 30 FHEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000827717154 602303438 /nfs/dbraw/zinc/30/34/38/602303438.db2.gz DLWYCUBDWJPMPA-RNODOKPDSA-N -1 3 368.408 3.963 20 30 FHEDHM CCC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000739299707 602670435 /nfs/dbraw/zinc/67/04/35/602670435.db2.gz AOVGZSMZFKFJBT-KBPBESRZSA-N -1 3 357.435 3.731 20 30 FHEDHM N#CC(C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])c1ccc2ccccc2n1 ZINC000831066425 604215036 /nfs/dbraw/zinc/21/50/36/604215036.db2.gz WZBNQPBIWVBNPL-MSOLQXFVSA-N -1 3 373.412 3.680 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1Br ZINC000822198616 606050021 /nfs/dbraw/zinc/05/00/21/606050021.db2.gz CJKRLUQRMQJROC-OQFOIZHKSA-N -1 3 369.222 3.834 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000822198616 606050026 /nfs/dbraw/zinc/05/00/26/606050026.db2.gz CJKRLUQRMQJROC-OQFOIZHKSA-N -1 3 369.222 3.834 20 30 FHEDHM COc1ccc2cc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)ccc2c1 ZINC000821854620 606302302 /nfs/dbraw/zinc/30/23/02/606302302.db2.gz PLRZNFITXZANFY-SREVYHEPSA-N -1 3 362.414 3.986 20 30 FHEDHM COc1ccc2cc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)ccc2c1 ZINC000821854620 606302304 /nfs/dbraw/zinc/30/23/04/606302304.db2.gz PLRZNFITXZANFY-SREVYHEPSA-N -1 3 362.414 3.986 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(-c2ccncc2)c1 ZINC000822923796 606392630 /nfs/dbraw/zinc/39/26/30/606392630.db2.gz UPSNIEXWBKJQHT-XQRVVYSFSA-N -1 3 359.414 3.886 20 30 FHEDHM N#Cc1cccnc1Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822842789 606431015 /nfs/dbraw/zinc/43/10/15/606431015.db2.gz YYYGEEYHDSPLSN-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM N#Cc1cccnc1Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822842789 606431016 /nfs/dbraw/zinc/43/10/16/606431016.db2.gz YYYGEEYHDSPLSN-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM N#Cc1ccccc1Oc1ccc(Nc2ncccc2-c2nnn[n-]2)cc1 ZINC000822842670 606431052 /nfs/dbraw/zinc/43/10/52/606431052.db2.gz SVPUPDJHVUVLDX-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM N#Cc1ccccc1Oc1ccc(Nc2ncccc2-c2nn[n-]n2)cc1 ZINC000822842670 606431054 /nfs/dbraw/zinc/43/10/54/606431054.db2.gz SVPUPDJHVUVLDX-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822259484 606762413 /nfs/dbraw/zinc/76/24/13/606762413.db2.gz YTIQVRGRDQACIZ-VOTSOKGWSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822259484 606762414 /nfs/dbraw/zinc/76/24/14/606762414.db2.gz YTIQVRGRDQACIZ-VOTSOKGWSA-N -1 3 356.332 3.673 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000822928954 607122740 /nfs/dbraw/zinc/12/27/40/607122740.db2.gz OKJBZSRAYHWBFY-ALCCZGGFSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000822928954 607122743 /nfs/dbraw/zinc/12/27/43/607122743.db2.gz OKJBZSRAYHWBFY-ALCCZGGFSA-N -1 3 373.185 3.664 20 30 FHEDHM CC(C=NNCc1ccc(-c2nnn[n-]2)cc1)=Cc1ccc(Cl)cc1 ZINC000824385545 607807710 /nfs/dbraw/zinc/80/77/10/607807710.db2.gz WJSSGOLOPILTHW-RUCWUFRFSA-N -1 3 352.829 3.699 20 30 FHEDHM CC(C=NNCc1ccc(-c2nn[n-]n2)cc1)=Cc1ccc(Cl)cc1 ZINC000824385545 607807711 /nfs/dbraw/zinc/80/77/11/607807711.db2.gz WJSSGOLOPILTHW-RUCWUFRFSA-N -1 3 352.829 3.699 20 30 FHEDHM FC(F)(F)c1ccccc1ON=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000826369188 607843974 /nfs/dbraw/zinc/84/39/74/607843974.db2.gz REBVXDNSAOXPNG-UHFFFAOYSA-N -1 3 372.310 3.780 20 30 FHEDHM FC(F)(F)c1ccccc1ON=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000826369188 607843975 /nfs/dbraw/zinc/84/39/75/607843975.db2.gz REBVXDNSAOXPNG-UHFFFAOYSA-N -1 3 372.310 3.780 20 30 FHEDHM N#Cc1ccccc1C=C1CCCC(=Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000826387373 607883935 /nfs/dbraw/zinc/88/39/35/607883935.db2.gz RWUFGYZEEQQFRQ-MZGHLJKDSA-N -1 3 367.412 3.958 20 30 FHEDHM N#Cc1ccccc1C=C1CCCC(=Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000826387373 607883936 /nfs/dbraw/zinc/88/39/36/607883936.db2.gz RWUFGYZEEQQFRQ-MZGHLJKDSA-N -1 3 367.412 3.958 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000823909674 607888380 /nfs/dbraw/zinc/88/83/80/607888380.db2.gz MXBYFRAERCENJM-KRWDZBQOSA-N -1 3 353.470 3.598 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000823909674 607888381 /nfs/dbraw/zinc/88/83/81/607888381.db2.gz MXBYFRAERCENJM-KRWDZBQOSA-N -1 3 353.470 3.598 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000826401381 607915983 /nfs/dbraw/zinc/91/59/83/607915983.db2.gz WXJXVDNSQPVGNG-FNORWQNLSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000826401381 607915984 /nfs/dbraw/zinc/91/59/84/607915984.db2.gz WXJXVDNSQPVGNG-FNORWQNLSA-N -1 3 362.286 3.921 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC)c1ccccc1 ZINC000823883039 607978395 /nfs/dbraw/zinc/97/83/95/607978395.db2.gz JCJMWGBAOKZNDC-AWEZNQCLSA-N -1 3 363.421 3.564 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC)c1ccccc1 ZINC000823883039 607978396 /nfs/dbraw/zinc/97/83/96/607978396.db2.gz JCJMWGBAOKZNDC-AWEZNQCLSA-N -1 3 363.421 3.564 20 30 FHEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1cccc(C#N)c1 ZINC000824648648 608050622 /nfs/dbraw/zinc/05/06/22/608050622.db2.gz IAORETHYDBRUOH-JTQLQIEISA-N -1 3 369.226 3.674 20 30 FHEDHM CC(=NNc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958829 608094834 /nfs/dbraw/zinc/09/48/34/608094834.db2.gz YGZDXZCRGIQWDE-UHFFFAOYSA-N -1 3 368.344 3.663 20 30 FHEDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000826276414 608294237 /nfs/dbraw/zinc/29/42/37/608294237.db2.gz FQWFTHDEPHHZQE-UHFFFAOYSA-N -1 3 367.416 3.721 20 30 FHEDHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000826276414 608294238 /nfs/dbraw/zinc/29/42/38/608294238.db2.gz FQWFTHDEPHHZQE-UHFFFAOYSA-N -1 3 367.416 3.721 20 30 FHEDHM C#CCCCCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823841012 608330265 /nfs/dbraw/zinc/33/02/65/608330265.db2.gz HNKBLKLZVFJBRU-UHFFFAOYSA-N -1 3 362.389 3.758 20 30 FHEDHM C#CCCCCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823841012 608330267 /nfs/dbraw/zinc/33/02/67/608330267.db2.gz HNKBLKLZVFJBRU-UHFFFAOYSA-N -1 3 362.389 3.758 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826476010 608387444 /nfs/dbraw/zinc/38/74/44/608387444.db2.gz YRCCDFMYVGBPAQ-UKTHLTGXSA-N -1 3 352.781 3.569 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826476010 608387446 /nfs/dbraw/zinc/38/74/46/608387446.db2.gz YRCCDFMYVGBPAQ-UKTHLTGXSA-N -1 3 352.781 3.569 20 30 FHEDHM Clc1ccc2c(c1)OCCCC2=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826352440 608389011 /nfs/dbraw/zinc/38/90/11/608389011.db2.gz ATJVJJBNAXZZHE-UHFFFAOYSA-N -1 3 354.801 3.509 20 30 FHEDHM Clc1ccc2c(c1)OCCCC2=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826352440 608389013 /nfs/dbraw/zinc/38/90/13/608389013.db2.gz ATJVJJBNAXZZHE-UHFFFAOYSA-N -1 3 354.801 3.509 20 30 FHEDHM Cc1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)o1 ZINC000826266178 608474048 /nfs/dbraw/zinc/47/40/48/608474048.db2.gz FSRYWIYJPIQMLS-UHFFFAOYSA-N -1 3 350.304 3.541 20 30 FHEDHM Cc1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)o1 ZINC000826266178 608474050 /nfs/dbraw/zinc/47/40/50/608474050.db2.gz FSRYWIYJPIQMLS-UHFFFAOYSA-N -1 3 350.304 3.541 20 30 FHEDHM C=CCN(Cc1ccc(Cl)s1)Cc1cc(-c2nnn[n-]2)cs1 ZINC000823909473 608501199 /nfs/dbraw/zinc/50/11/99/608501199.db2.gz FOWIFACDQZXYQI-UHFFFAOYSA-N -1 3 351.888 3.831 20 30 FHEDHM C=CCN(Cc1ccc(Cl)s1)Cc1cc(-c2nn[n-]n2)cs1 ZINC000823909473 608501200 /nfs/dbraw/zinc/50/12/00/608501200.db2.gz FOWIFACDQZXYQI-UHFFFAOYSA-N -1 3 351.888 3.831 20 30 FHEDHM Clc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(Cl)c1 ZINC000826352419 608538021 /nfs/dbraw/zinc/53/80/21/608538021.db2.gz ZXMQKPZVGGVHOM-UHFFFAOYSA-N -1 3 368.615 3.668 20 30 FHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826232181 608879487 /nfs/dbraw/zinc/87/94/87/608879487.db2.gz YBRNHAXBAAHGIH-KIFNTFBYSA-N -1 3 358.423 3.828 20 30 FHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826232181 608879488 /nfs/dbraw/zinc/87/94/88/608879488.db2.gz YBRNHAXBAAHGIH-KIFNTFBYSA-N -1 3 358.423 3.828 20 30 FHEDHM CSc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000826230286 608879590 /nfs/dbraw/zinc/87/95/90/608879590.db2.gz MLOLPBKIGOCGQC-UTCJRWHESA-N -1 3 358.373 3.763 20 30 FHEDHM CSc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000826230286 608879591 /nfs/dbraw/zinc/87/95/91/608879591.db2.gz MLOLPBKIGOCGQC-UTCJRWHESA-N -1 3 358.373 3.763 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2cc(O)ccc2c1 ZINC000826401125 608881588 /nfs/dbraw/zinc/88/15/88/608881588.db2.gz QFZBIYJKFCKJGX-WAPJZHGLSA-N -1 3 360.348 3.761 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2cc(O)ccc2c1 ZINC000826401125 608881590 /nfs/dbraw/zinc/88/15/90/608881590.db2.gz QFZBIYJKFCKJGX-WAPJZHGLSA-N -1 3 360.348 3.761 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400609 609270995 /nfs/dbraw/zinc/27/09/95/609270995.db2.gz CDZRVKSQJSFUPH-TWGQIWQCSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400609 609270997 /nfs/dbraw/zinc/27/09/97/609270997.db2.gz CDZRVKSQJSFUPH-TWGQIWQCSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400642 609271254 /nfs/dbraw/zinc/27/12/54/609271254.db2.gz DHZPREOZLNGDJA-JXMROGBWSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400642 609271256 /nfs/dbraw/zinc/27/12/56/609271256.db2.gz DHZPREOZLNGDJA-JXMROGBWSA-N -1 3 371.375 3.964 20 30 FHEDHM CC1(C)Cc2cccc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)c2O1 ZINC000824812797 609273811 /nfs/dbraw/zinc/27/38/11/609273811.db2.gz RBSBOWCHHSUTRR-VQHVLOKHSA-N -1 3 364.380 3.615 20 30 FHEDHM CC1(C)Cc2cccc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)c2O1 ZINC000824812797 609273812 /nfs/dbraw/zinc/27/38/12/609273812.db2.gz RBSBOWCHHSUTRR-VQHVLOKHSA-N -1 3 364.380 3.615 20 30 FHEDHM Fc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c2ncccc12 ZINC000826374204 609472852 /nfs/dbraw/zinc/47/28/52/609472852.db2.gz PRAHFXUTIJHNDO-UHFFFAOYSA-N -1 3 367.775 3.653 20 30 FHEDHM Fc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ncccc12 ZINC000826374204 609472855 /nfs/dbraw/zinc/47/28/55/609472855.db2.gz PRAHFXUTIJHNDO-UHFFFAOYSA-N -1 3 367.775 3.653 20 30 FHEDHM CC(C)c1ccc([C@@H](C)Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC000824347800 609482750 /nfs/dbraw/zinc/48/27/50/609482750.db2.gz OIUQDPMEUTZQGS-LLVKDONJSA-N -1 3 365.466 3.692 20 30 FHEDHM CC(C)c1ccc([C@@H](C)Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC000824347800 609482752 /nfs/dbraw/zinc/48/27/52/609482752.db2.gz OIUQDPMEUTZQGS-LLVKDONJSA-N -1 3 365.466 3.692 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000286335877 928635227 /nfs/dbraw/zinc/63/52/27/928635227.db2.gz LSZUCJWEMABPBW-VBKZILBWSA-N -1 3 363.461 3.818 20 30 FHEDHM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000255194270 930496441 /nfs/dbraw/zinc/49/64/41/930496441.db2.gz RULBDFUGRWMCCD-CYBMUJFWSA-N -1 3 368.433 3.735 20 30 FHEDHM N#CCc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000121230243 930866544 /nfs/dbraw/zinc/86/65/44/930866544.db2.gz ZMYSVMMFBVGMDW-UHFFFAOYSA-N -1 3 356.447 3.875 20 30 FHEDHM COc1cc2c(cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1)OCO2 ZINC000430587909 931965614 /nfs/dbraw/zinc/96/56/14/931965614.db2.gz BIWPBXVWWDQWDB-NSHDSACASA-N -1 3 358.419 3.668 20 30 FHEDHM CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(Cl)s2)s1 ZINC000023976114 933102570 /nfs/dbraw/zinc/10/25/70/933102570.db2.gz AODLYCXVQYVCAQ-UHFFFAOYSA-N -1 3 363.873 3.545 20 30 FHEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1OCCCC#N ZINC000277061913 934475193 /nfs/dbraw/zinc/47/51/93/934475193.db2.gz UKQDAHDDZWJAKS-HXUWFJFHSA-N -1 3 368.433 3.602 20 30 FHEDHM C=CCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2)cc1OC ZINC000277359290 935014021 /nfs/dbraw/zinc/01/40/21/935014021.db2.gz PTCGQSLMTNFYRP-SFHVURJKSA-N -1 3 371.433 3.574 20 30 FHEDHM N#CCC[C@@H](C#N)CNc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737686028 945113314 /nfs/dbraw/zinc/11/33/14/945113314.db2.gz WGGAGHLSTITGNM-AWEZNQCLSA-N -1 3 359.393 3.514 20 30 FHEDHM N#CCC[C@@H](C#N)CNc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737686028 945113323 /nfs/dbraw/zinc/11/33/23/945113323.db2.gz WGGAGHLSTITGNM-AWEZNQCLSA-N -1 3 359.393 3.514 20 30 FHEDHM Cn1cc([C@@H]([N-]C(=O)c2cccc(C(F)(F)F)c2F)C(F)(F)F)cn1 ZINC000278327143 938309441 /nfs/dbraw/zinc/30/94/41/938309441.db2.gz KXODJUWEHVOIEP-LLVKDONJSA-N -1 3 369.240 3.611 20 30 FHEDHM N#CC1(c2ccccn2)CCN(Cc2cccc([O-])c2Br)CC1 ZINC000583738650 938385877 /nfs/dbraw/zinc/38/58/77/938385877.db2.gz GUOBONCDISWENC-UHFFFAOYSA-N -1 3 372.266 3.607 20 30 FHEDHM C[C@@H]1Oc2ccc(N=Cc3cc(Br)ccc3[O-])cc2NC1=O ZINC000255889884 940734577 /nfs/dbraw/zinc/73/45/77/940734577.db2.gz ZRJXUCWSOIYAMD-VIFPVBQESA-N -1 3 361.195 3.625 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(Cl)c(Cl)c1 ZINC000019678533 941836590 /nfs/dbraw/zinc/83/65/90/941836590.db2.gz PRGRLPITTRIZIV-UHFFFAOYSA-N -1 3 365.216 3.708 20 30 FHEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c(C)c1 ZINC000501833502 942705410 /nfs/dbraw/zinc/70/54/10/942705410.db2.gz UXZCUNWLEYZTNN-UHFFFAOYSA-N -1 3 350.827 3.720 20 30 FHEDHM CCc1oc(C(=O)[N-]c2ccccc2SCCC#N)cc1C(=O)OC ZINC000584731868 943502234 /nfs/dbraw/zinc/50/22/34/943502234.db2.gz FNYOYTXKNFYWGB-UHFFFAOYSA-N -1 3 358.419 3.887 20 30 FHEDHM N#Cc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C(F)(F)F)c1 ZINC000417618833 943754367 /nfs/dbraw/zinc/75/43/67/943754367.db2.gz DKCQTCVTJSNQAJ-DOTOQJQBSA-N -1 3 360.335 3.980 20 30 FHEDHM Cc1ncccc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000728780994 944019294 /nfs/dbraw/zinc/01/92/94/944019294.db2.gz ICVAILQBWUSXQK-UHFFFAOYSA-N -1 3 366.446 3.637 20 30 FHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123951412 944654155 /nfs/dbraw/zinc/65/41/55/944654155.db2.gz CFUWFXGLONMJDX-GFCCVEGCSA-N -1 3 367.714 3.715 20 30 FHEDHM CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736351077 944808094 /nfs/dbraw/zinc/80/80/94/944808094.db2.gz QDXAJELYEHTEPV-AWEZNQCLSA-N -1 3 352.442 3.673 20 30 FHEDHM CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736351077 944808106 /nfs/dbraw/zinc/80/81/06/944808106.db2.gz QDXAJELYEHTEPV-AWEZNQCLSA-N -1 3 352.442 3.673 20 30 FHEDHM N#Cc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000426808437 944829472 /nfs/dbraw/zinc/82/94/72/944829472.db2.gz RIRVFZLETSUECN-INIZCTEOSA-N -1 3 359.223 3.626 20 30 FHEDHM N#CC(=C([O-])c1ccc(Br)c(C(F)(F)F)c1)c1ccncn1 ZINC000546154276 944999938 /nfs/dbraw/zinc/99/99/38/944999938.db2.gz ZELULQXDUMDMKW-VIFPVBQESA-N -1 3 370.128 3.748 20 30 FHEDHM N#CC(=C([O-])c1ccc(Br)c(C(F)(F)F)c1)c1ccncn1 ZINC000546154275 944999994 /nfs/dbraw/zinc/99/99/94/944999994.db2.gz ZELULQXDUMDMKW-SECBINFHSA-N -1 3 370.128 3.748 20 30 FHEDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444180592 946043074 /nfs/dbraw/zinc/04/30/74/946043074.db2.gz FVHMTYAXPQGEIA-QMMMGPOBSA-N -1 3 367.286 3.854 20 30 FHEDHM N#Cc1ccc(F)c(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)c1 ZINC001126081030 946056446 /nfs/dbraw/zinc/05/64/46/946056446.db2.gz ZXNVBWGPMZZQBL-UHFFFAOYSA-N -1 3 356.357 3.531 20 30 FHEDHM C=CCCC[C@@H](C)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000823893874 946501724 /nfs/dbraw/zinc/50/17/24/946501724.db2.gz AIMPUBFESSTFLC-SECBINFHSA-N -1 3 354.241 3.648 20 30 FHEDHM C=CCCC[C@@H](C)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000823893874 946501730 /nfs/dbraw/zinc/50/17/30/946501730.db2.gz AIMPUBFESSTFLC-SECBINFHSA-N -1 3 354.241 3.648 20 30 FHEDHM C=CCCOCCCCC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000823899100 946508451 /nfs/dbraw/zinc/50/84/51/946508451.db2.gz LLHRDZXDXKXROA-UHFFFAOYSA-N -1 3 363.487 3.501 20 30 FHEDHM C=CCCOCCCCC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000823899100 946508456 /nfs/dbraw/zinc/50/84/56/946508456.db2.gz LLHRDZXDXKXROA-UHFFFAOYSA-N -1 3 363.487 3.501 20 30 FHEDHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824614221 946865330 /nfs/dbraw/zinc/86/53/30/946865330.db2.gz ZONIDICUSDIRSN-AWEZNQCLSA-N -1 3 370.416 3.849 20 30 FHEDHM N#CC(=C([O-])c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccccn1 ZINC000049458286 947074379 /nfs/dbraw/zinc/07/43/79/947074379.db2.gz PBMGHOJYOQTHQM-OAHLLOKOSA-N -1 3 371.375 3.687 20 30 FHEDHM N#CC(=C([O-])c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccccn1 ZINC000049458284 947074982 /nfs/dbraw/zinc/07/49/82/947074982.db2.gz PBMGHOJYOQTHQM-HNNXBMFYSA-N -1 3 371.375 3.687 20 30 FHEDHM CCSc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825674400 947285338 /nfs/dbraw/zinc/28/53/38/947285338.db2.gz LCBLTOHUJVREKI-ONNFQVAWSA-N -1 3 366.446 3.883 20 30 FHEDHM CCSc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825674400 947285351 /nfs/dbraw/zinc/28/53/51/947285351.db2.gz LCBLTOHUJVREKI-ONNFQVAWSA-N -1 3 366.446 3.883 20 30 FHEDHM C=CCC[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)c(OC)c1)c1ccccc1 ZINC001573327865 947400602 /nfs/dbraw/zinc/40/06/02/947400602.db2.gz MINPHZOWBVQLAE-INIZCTEOSA-N -1 3 364.405 3.531 20 30 FHEDHM C=CCC[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)c(OC)c1)c1ccccc1 ZINC001573327865 947400611 /nfs/dbraw/zinc/40/06/11/947400611.db2.gz MINPHZOWBVQLAE-INIZCTEOSA-N -1 3 364.405 3.531 20 30 FHEDHM C=CCC1(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCC)CCCCC1 ZINC001573328773 947414772 /nfs/dbraw/zinc/41/47/72/947414772.db2.gz CIAKNAKXTCNMBB-UHFFFAOYSA-N -1 3 355.442 3.731 20 30 FHEDHM C=CCC1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCC)CCCCC1 ZINC001573328773 947414779 /nfs/dbraw/zinc/41/47/79/947414779.db2.gz CIAKNAKXTCNMBB-UHFFFAOYSA-N -1 3 355.442 3.731 20 30 FHEDHM C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001573334272 947452053 /nfs/dbraw/zinc/45/20/53/947452053.db2.gz CCKBRHKIEAKTHH-CYBMUJFWSA-N -1 3 372.473 3.910 20 30 FHEDHM C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001573334272 947452066 /nfs/dbraw/zinc/45/20/66/947452066.db2.gz CCKBRHKIEAKTHH-CYBMUJFWSA-N -1 3 372.473 3.910 20 30 FHEDHM COc1cc(C)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC000826177633 947551127 /nfs/dbraw/zinc/55/11/27/947551127.db2.gz PGQYBPKUFGFRGM-FNORWQNLSA-N -1 3 352.369 3.527 20 30 FHEDHM COc1cc(C)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000826177633 947551135 /nfs/dbraw/zinc/55/11/35/947551135.db2.gz PGQYBPKUFGFRGM-FNORWQNLSA-N -1 3 352.369 3.527 20 30 FHEDHM COc1ccc(CSc2cccc(Cl)c2C#N)cc1-c1nnn[n-]1 ZINC000826207945 947608520 /nfs/dbraw/zinc/60/85/20/947608520.db2.gz LPKQWOGPZCNOBY-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1ccc(CSc2cccc(Cl)c2C#N)cc1-c1nn[n-]n1 ZINC000826207945 947608530 /nfs/dbraw/zinc/60/85/30/947608530.db2.gz LPKQWOGPZCNOBY-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1cccc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)oc21 ZINC000826218255 947646950 /nfs/dbraw/zinc/64/69/50/947646950.db2.gz WCSMWFHVBKTSNH-VURMDHGXSA-N -1 3 364.336 3.657 20 30 FHEDHM COc1cccc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)oc21 ZINC000826218255 947646955 /nfs/dbraw/zinc/64/69/55/947646955.db2.gz WCSMWFHVBKTSNH-VURMDHGXSA-N -1 3 364.336 3.657 20 30 FHEDHM Cc1c(Cl)cnc(N[C@H](CCC#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826238757 947703585 /nfs/dbraw/zinc/70/35/85/947703585.db2.gz OTNAITDGVGXHKA-CQSZACIVSA-N -1 3 353.817 3.681 20 30 FHEDHM Cc1c(Cl)cnc(N[C@H](CCC#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826238757 947703590 /nfs/dbraw/zinc/70/35/90/947703590.db2.gz OTNAITDGVGXHKA-CQSZACIVSA-N -1 3 353.817 3.681 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc2cccnc12 ZINC000826266557 947769963 /nfs/dbraw/zinc/76/99/63/947769963.db2.gz SUUPBKQLLDQGDH-QPJJXVBHSA-N -1 3 359.364 3.759 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc2cccnc12 ZINC000826266557 947769968 /nfs/dbraw/zinc/76/99/68/947769968.db2.gz SUUPBKQLLDQGDH-QPJJXVBHSA-N -1 3 359.364 3.759 20 30 FHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnc(-c4cccnc4)s3)nc21 ZINC000536437582 948144888 /nfs/dbraw/zinc/14/48/88/948144888.db2.gz LCHDEVYVESLFSL-ZDUSSCGKSA-N -1 3 359.414 3.880 20 30 FHEDHM O=C1C(=Cc2cccc3cnccc23)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000826475336 948375954 /nfs/dbraw/zinc/37/59/54/948375954.db2.gz CGFBEWDXBXNVCY-XNTDXEJSSA-N -1 3 353.385 3.627 20 30 FHEDHM O=C1C(=Cc2cccc3cnccc23)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000826475336 948375962 /nfs/dbraw/zinc/37/59/62/948375962.db2.gz CGFBEWDXBXNVCY-XNTDXEJSSA-N -1 3 353.385 3.627 20 30 FHEDHM CCCCc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000019677841 211244080 /nfs/dbraw/zinc/24/40/80/211244080.db2.gz DVBAOPFDTSMJDS-UHFFFAOYSA-N -1 3 351.450 3.777 20 30 FHEDHM C[C@@H]1[C@@H](C(=O)[N-][C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)C1(F)F ZINC000461105288 567966974 /nfs/dbraw/zinc/96/69/74/567966974.db2.gz AFQUQGIXSCXCHL-UASFKTIASA-N -1 3 359.241 3.909 20 30 FHEDHM CC1(C)Cc2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c([O-])c2O1 ZINC000436663690 568262913 /nfs/dbraw/zinc/26/29/13/568262913.db2.gz IGFFXDCTPNHDBO-UHFFFAOYSA-N -1 3 374.440 3.907 20 30 FHEDHM Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c([O-])c1C ZINC000436666197 568263802 /nfs/dbraw/zinc/26/38/02/568263802.db2.gz RLMPYSDAMZVNOE-UHFFFAOYSA-N -1 3 368.408 3.703 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)CC1CCCC1 ZINC000735419613 598904198 /nfs/dbraw/zinc/90/41/98/598904198.db2.gz XWBWISDSMRPEFG-OAHLLOKOSA-N -1 3 353.470 3.598 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)CC1CCCC1 ZINC000735419613 598904200 /nfs/dbraw/zinc/90/42/00/598904200.db2.gz XWBWISDSMRPEFG-OAHLLOKOSA-N -1 3 353.470 3.598 20 30 FHEDHM N#Cc1ccc(NC(=O)c2sccc2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000737719545 598926341 /nfs/dbraw/zinc/92/63/41/598926341.db2.gz RVVXYIGAMGRZGN-UHFFFAOYSA-N -1 3 372.413 3.719 20 30 FHEDHM N#Cc1ccc(NC(=O)c2sccc2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000737719545 598926343 /nfs/dbraw/zinc/92/63/43/598926343.db2.gz RVVXYIGAMGRZGN-UHFFFAOYSA-N -1 3 372.413 3.719 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1CCc2ccccc21 ZINC000735421397 599015081 /nfs/dbraw/zinc/01/50/81/599015081.db2.gz YJHOXFUZNVCHON-GOSISDBHSA-N -1 3 373.460 3.501 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H]1CCc2ccccc21 ZINC000735421397 599015084 /nfs/dbraw/zinc/01/50/84/599015084.db2.gz YJHOXFUZNVCHON-GOSISDBHSA-N -1 3 373.460 3.501 20 30 FHEDHM O=C1C(=Cc2ccc3ncccc3c2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503056 599114468 /nfs/dbraw/zinc/11/44/68/599114468.db2.gz ASDNTWZEZOZSMU-WJDWOHSUSA-N -1 3 353.385 3.627 20 30 FHEDHM O=C1C(=Cc2ccc3ncccc3c2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503056 599114471 /nfs/dbraw/zinc/11/44/71/599114471.db2.gz ASDNTWZEZOZSMU-WJDWOHSUSA-N -1 3 353.385 3.627 20 30 FHEDHM CC(C)(C)c1ncc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)s1 ZINC000819965436 599112207 /nfs/dbraw/zinc/11/22/07/599112207.db2.gz HAJLJUATGCFXNU-XFXZXTDPSA-N -1 3 365.462 3.833 20 30 FHEDHM CC(C)(C)c1ncc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)s1 ZINC000819965436 599112208 /nfs/dbraw/zinc/11/22/08/599112208.db2.gz HAJLJUATGCFXNU-XFXZXTDPSA-N -1 3 365.462 3.833 20 30 FHEDHM COc1ccc(Cl)cc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000821824019 599113120 /nfs/dbraw/zinc/11/31/20/599113120.db2.gz FNXPTSIDZGCBRX-FMIVXFBMSA-N -1 3 366.808 3.741 20 30 FHEDHM COc1ccc(Cl)cc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821824019 599113121 /nfs/dbraw/zinc/11/31/21/599113121.db2.gz FNXPTSIDZGCBRX-FMIVXFBMSA-N -1 3 366.808 3.741 20 30 FHEDHM CC[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(C)cc1 ZINC000736330741 599191109 /nfs/dbraw/zinc/19/11/09/599191109.db2.gz FPQGMNTWNALVQZ-AWEZNQCLSA-N -1 3 360.421 3.569 20 30 FHEDHM CC[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(C)cc1 ZINC000736330741 599191112 /nfs/dbraw/zinc/19/11/12/599191112.db2.gz FPQGMNTWNALVQZ-AWEZNQCLSA-N -1 3 360.421 3.569 20 30 FHEDHM CCCC=CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736434346 599218677 /nfs/dbraw/zinc/21/86/77/599218677.db2.gz DXRBFMDUTJTKCC-ZRUQZJFASA-N -1 3 364.434 3.523 20 30 FHEDHM CCCC=CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736434346 599218678 /nfs/dbraw/zinc/21/86/78/599218678.db2.gz DXRBFMDUTJTKCC-ZRUQZJFASA-N -1 3 364.434 3.523 20 30 FHEDHM Cc1cc(C)c2ncc(C#N)c(N(C)Cc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000737249336 599270174 /nfs/dbraw/zinc/27/01/74/599270174.db2.gz WQKKGMSYHKSZBK-UHFFFAOYSA-N -1 3 369.432 3.540 20 30 FHEDHM Cc1cc(C)c2ncc(C#N)c(N(C)Cc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000737249336 599270176 /nfs/dbraw/zinc/27/01/76/599270176.db2.gz WQKKGMSYHKSZBK-UHFFFAOYSA-N -1 3 369.432 3.540 20 30 FHEDHM CCCCCCCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736447838 598236366 /nfs/dbraw/zinc/23/63/66/598236366.db2.gz UWUAESIBZOPUBP-UHFFFAOYSA-N -1 3 371.485 3.597 20 30 FHEDHM CCCCCCCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736447838 598236368 /nfs/dbraw/zinc/23/63/68/598236368.db2.gz UWUAESIBZOPUBP-UHFFFAOYSA-N -1 3 371.485 3.597 20 30 FHEDHM FC(F)(F)c1cc(C=NNc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000737630987 598438940 /nfs/dbraw/zinc/43/89/40/598438940.db2.gz AMHAPXHSBITQJX-UHFFFAOYSA-N -1 3 366.734 3.985 20 30 FHEDHM FC(F)(F)c1cc(C=NNc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000737630987 598438942 /nfs/dbraw/zinc/43/89/42/598438942.db2.gz AMHAPXHSBITQJX-UHFFFAOYSA-N -1 3 366.734 3.985 20 30 FHEDHM C=CCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735409281 598540056 /nfs/dbraw/zinc/54/00/56/598540056.db2.gz XRCKJNIQLDLBRO-UHFFFAOYSA-N -1 3 363.421 3.659 20 30 FHEDHM C=CCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000735409281 598540057 /nfs/dbraw/zinc/54/00/57/598540057.db2.gz XRCKJNIQLDLBRO-UHFFFAOYSA-N -1 3 363.421 3.659 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735977864 598554970 /nfs/dbraw/zinc/55/49/70/598554970.db2.gz YEKRAYBGBZIXGC-JTQLQIEISA-N -1 3 370.463 3.575 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735977864 598554972 /nfs/dbraw/zinc/55/49/72/598554972.db2.gz YEKRAYBGBZIXGC-JTQLQIEISA-N -1 3 370.463 3.575 20 30 FHEDHM O=C(C=Cc1csc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737806491 598642212 /nfs/dbraw/zinc/64/22/12/598642212.db2.gz LYEGERYILJRLHY-BQYQJAHWSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1csc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737806491 598642214 /nfs/dbraw/zinc/64/22/14/598642214.db2.gz LYEGERYILJRLHY-BQYQJAHWSA-N -1 3 365.443 3.948 20 30 FHEDHM C=CC1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000735409671 598676672 /nfs/dbraw/zinc/67/66/72/598676672.db2.gz IHZPQHGWNNNFFS-UHFFFAOYSA-N -1 3 358.808 3.610 20 30 FHEDHM C=CC1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000735409671 598676675 /nfs/dbraw/zinc/67/66/75/598676675.db2.gz IHZPQHGWNNNFFS-UHFFFAOYSA-N -1 3 358.808 3.610 20 30 FHEDHM Cc1cc(F)ccc1N(CCCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737262453 598703876 /nfs/dbraw/zinc/70/38/76/598703876.db2.gz GQHNNAFRPPDWRF-UHFFFAOYSA-N -1 3 350.401 3.625 20 30 FHEDHM Cc1cc(F)ccc1N(CCCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737262453 598703877 /nfs/dbraw/zinc/70/38/77/598703877.db2.gz GQHNNAFRPPDWRF-UHFFFAOYSA-N -1 3 350.401 3.625 20 30 FHEDHM N#Cc1ccc(Oc2cccc(Nc3ncccc3-c3nnn[n-]3)c2)cc1 ZINC000737721413 598796717 /nfs/dbraw/zinc/79/67/17/598796717.db2.gz JUMCJLIPXIZSIG-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM N#Cc1ccc(Oc2cccc(Nc3ncccc3-c3nn[n-]n3)c2)cc1 ZINC000737721413 598796718 /nfs/dbraw/zinc/79/67/18/598796718.db2.gz JUMCJLIPXIZSIG-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM Cc1c(C(=O)C=Cc2cscc2Cl)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822016021 607368165 /nfs/dbraw/zinc/36/81/65/607368165.db2.gz SVAAQIJDRQXCAZ-SNAWJCMRSA-N -1 3 359.842 3.534 20 30 FHEDHM Cc1c(C(=O)C=Cc2cscc2Cl)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016021 607368167 /nfs/dbraw/zinc/36/81/67/607368167.db2.gz SVAAQIJDRQXCAZ-SNAWJCMRSA-N -1 3 359.842 3.534 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000822930364 607368466 /nfs/dbraw/zinc/36/84/66/607368466.db2.gz ZIAKVNSUGKPKDL-ALCCZGGFSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)cc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000822930364 607368467 /nfs/dbraw/zinc/36/84/67/607368467.db2.gz ZIAKVNSUGKPKDL-ALCCZGGFSA-N -1 3 362.286 3.921 20 30 FHEDHM C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455076 599353708 /nfs/dbraw/zinc/35/37/08/599353708.db2.gz BXVPUXXFBCBWTE-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455076 599353712 /nfs/dbraw/zinc/35/37/12/599353712.db2.gz BXVPUXXFBCBWTE-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM CCOc1ccc(Cl)cc1C(C)=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000736644141 599367747 /nfs/dbraw/zinc/36/77/47/599367747.db2.gz FGPQWWBQTNFMSF-UHFFFAOYSA-N -1 3 356.817 3.755 20 30 FHEDHM CC(C)(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735647719 599460295 /nfs/dbraw/zinc/46/02/95/599460295.db2.gz APZOYJZPHLERQE-MDZDMXLPSA-N -1 3 372.432 3.708 20 30 FHEDHM CC(C)(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735647719 599460298 /nfs/dbraw/zinc/46/02/98/599460298.db2.gz APZOYJZPHLERQE-MDZDMXLPSA-N -1 3 372.432 3.708 20 30 FHEDHM O=C1c2cc(OC(F)(F)F)ccc2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738290498 599537714 /nfs/dbraw/zinc/53/77/14/599537714.db2.gz OOSWXSXIRAGMCQ-QPEQYQDCSA-N -1 3 372.306 3.588 20 30 FHEDHM O=C1c2cc(OC(F)(F)F)ccc2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738290498 599537716 /nfs/dbraw/zinc/53/77/16/599537716.db2.gz OOSWXSXIRAGMCQ-QPEQYQDCSA-N -1 3 372.306 3.588 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(-c2ccncc2)cc1 ZINC000822922607 607459975 /nfs/dbraw/zinc/45/99/75/607459975.db2.gz ICEOHAGRAWZDFA-BQYQJAHWSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(-c2ccncc2)cc1 ZINC000822922607 607459977 /nfs/dbraw/zinc/45/99/77/607459977.db2.gz ICEOHAGRAWZDFA-BQYQJAHWSA-N -1 3 371.375 3.964 20 30 FHEDHM COc1cc(CN(C)[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1SC ZINC000831990096 601312669 /nfs/dbraw/zinc/31/26/69/601312669.db2.gz ZUPAQUREFXAZHM-SFHVURJKSA-N -1 3 356.447 3.546 20 30 FHEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000827710317 602302846 /nfs/dbraw/zinc/30/28/46/602302846.db2.gz PSHYBZGEELEZCP-XCLFUZPHSA-N -1 3 368.408 3.963 20 30 FHEDHM CCC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000739306630 602670554 /nfs/dbraw/zinc/67/05/54/602670554.db2.gz YKJASWQHKDYSFV-UWVGGRQHSA-N -1 3 351.815 3.562 20 30 FHEDHM CC(N=Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccccc1 ZINC000823961872 607644060 /nfs/dbraw/zinc/64/40/60/607644060.db2.gz AVKKYVXMEBFPJG-UHFFFAOYSA-N -1 3 361.434 3.826 20 30 FHEDHM CC(N=Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccccc1 ZINC000823961872 607644061 /nfs/dbraw/zinc/64/40/61/607644061.db2.gz AVKKYVXMEBFPJG-UHFFFAOYSA-N -1 3 361.434 3.826 20 30 FHEDHM Cc1c(C(=O)C=CC=Cc2ccc(F)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234032 607646632 /nfs/dbraw/zinc/64/66/32/607646632.db2.gz FLBJBNREGYUCSX-CGHHVMRMSA-N -1 3 363.396 3.514 20 30 FHEDHM Cc1c(C(=O)C=CC=Cc2ccc(F)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234032 607646633 /nfs/dbraw/zinc/64/66/33/607646633.db2.gz FLBJBNREGYUCSX-CGHHVMRMSA-N -1 3 363.396 3.514 20 30 FHEDHM C[C@H](C#N)Oc1ccc(CNCc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000823648568 604413006 /nfs/dbraw/zinc/41/30/06/604413006.db2.gz USEKVRURPGIKDT-CABCVRRESA-N -1 3 353.422 3.596 20 30 FHEDHM N#CCCCOc1cccc(CN2CCC([C@H]3CCCN3C(=O)[O-])CC2)c1 ZINC000833965227 605494207 /nfs/dbraw/zinc/49/42/07/605494207.db2.gz FRYJZVGAMKOSHX-HXUWFJFHSA-N -1 3 371.481 3.724 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Br)s1 ZINC000822923333 606302559 /nfs/dbraw/zinc/30/25/59/606302559.db2.gz PXJWBRYKTRRUAS-UPHRSURJSA-N -1 3 367.253 3.648 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Br)s1 ZINC000822923333 606302558 /nfs/dbraw/zinc/30/25/58/606302558.db2.gz PXJWBRYKTRRUAS-UPHRSURJSA-N -1 3 367.253 3.648 20 30 FHEDHM CC(C)c1ccc2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CO2 ZINC000820192796 606305018 /nfs/dbraw/zinc/30/50/18/606305018.db2.gz ZRSMMONYNDLXFC-XGICHPGQSA-N -1 3 352.419 3.710 20 30 FHEDHM CC(C)c1ccc2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CO2 ZINC000820192796 606305019 /nfs/dbraw/zinc/30/50/19/606305019.db2.gz ZRSMMONYNDLXFC-XGICHPGQSA-N -1 3 352.419 3.710 20 30 FHEDHM COc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)ccc1SC ZINC000821703020 606305967 /nfs/dbraw/zinc/30/59/67/606305967.db2.gz LCJPLGKBUJSPJL-SNAWJCMRSA-N -1 3 358.448 3.555 20 30 FHEDHM COc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)ccc1SC ZINC000821703020 606305968 /nfs/dbraw/zinc/30/59/68/606305968.db2.gz LCJPLGKBUJSPJL-SNAWJCMRSA-N -1 3 358.448 3.555 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1sccc1Br ZINC000822921928 606306517 /nfs/dbraw/zinc/30/65/17/606306517.db2.gz ALLMUHFGNAQTEI-OWOJBTEDSA-N -1 3 367.253 3.648 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1sccc1Br ZINC000822921928 606306518 /nfs/dbraw/zinc/30/65/18/606306518.db2.gz ALLMUHFGNAQTEI-OWOJBTEDSA-N -1 3 367.253 3.648 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000822922192 606306620 /nfs/dbraw/zinc/30/66/20/606306620.db2.gz CYCYIYIFHXAACA-WAYWQWQTSA-N -1 3 350.325 3.843 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000822922192 606306622 /nfs/dbraw/zinc/30/66/22/606306622.db2.gz CYCYIYIFHXAACA-WAYWQWQTSA-N -1 3 350.325 3.843 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(Br)c1 ZINC000822924232 606388309 /nfs/dbraw/zinc/38/83/09/606388309.db2.gz ZISSJVJXHMGMCS-GQCTYLIASA-N -1 3 361.224 3.587 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc3cc(O)ccc3c2)cc1-c1nnn[n-]1 ZINC000821787191 606392271 /nfs/dbraw/zinc/39/22/71/606392271.db2.gz PTQBRLLLIJBRNO-WAPJZHGLSA-N -1 3 372.384 3.630 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc3cc(O)ccc3c2)cc1-c1nn[n-]n1 ZINC000821787191 606392273 /nfs/dbraw/zinc/39/22/73/606392273.db2.gz PTQBRLLLIJBRNO-WAPJZHGLSA-N -1 3 372.384 3.630 20 30 FHEDHM N#Cc1csc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)c1 ZINC000822846254 606462115 /nfs/dbraw/zinc/46/21/15/606462115.db2.gz RZSWSVZUBDQFFB-UHFFFAOYSA-N -1 3 373.397 3.686 20 30 FHEDHM N#Cc1csc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000822846254 606462117 /nfs/dbraw/zinc/46/21/17/606462117.db2.gz RZSWSVZUBDQFFB-UHFFFAOYSA-N -1 3 373.397 3.686 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(CCC)CCC1 ZINC000819743571 606987962 /nfs/dbraw/zinc/98/79/62/606987962.db2.gz MECBXAFVHZJYTA-UHFFFAOYSA-N -1 3 368.485 3.535 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(CCC)CCC1 ZINC000819743571 606987963 /nfs/dbraw/zinc/98/79/63/606987963.db2.gz MECBXAFVHZJYTA-UHFFFAOYSA-N -1 3 368.485 3.535 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1F ZINC000822924284 607122846 /nfs/dbraw/zinc/12/28/46/607122846.db2.gz ZTRGAUNITQHRHT-FPYGCLRLSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1F ZINC000822924284 607122848 /nfs/dbraw/zinc/12/28/48/607122848.db2.gz ZTRGAUNITQHRHT-FPYGCLRLSA-N -1 3 373.185 3.664 20 30 FHEDHM C(=NN(Cc1ccccc1)c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000823861247 607881725 /nfs/dbraw/zinc/88/17/25/607881725.db2.gz AWVZAVPXDOVKEK-UHFFFAOYSA-N -1 3 354.417 3.907 20 30 FHEDHM C(=NN(Cc1ccccc1)c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000823861247 607881726 /nfs/dbraw/zinc/88/17/26/607881726.db2.gz AWVZAVPXDOVKEK-UHFFFAOYSA-N -1 3 354.417 3.907 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000826400964 607915941 /nfs/dbraw/zinc/91/59/41/607915941.db2.gz LZMPGGNLZIHQOR-KRXBUXKQSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000826400964 607915942 /nfs/dbraw/zinc/91/59/42/607915942.db2.gz LZMPGGNLZIHQOR-KRXBUXKQSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC(F)F)cc1 ZINC000826400590 607916207 /nfs/dbraw/zinc/91/62/07/607916207.db2.gz BYMULUJDLVZHLI-KRXBUXKQSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC(F)F)cc1 ZINC000826400590 607916208 /nfs/dbraw/zinc/91/62/08/607916208.db2.gz BYMULUJDLVZHLI-KRXBUXKQSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C1c2ccc(Br)cc2CC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475645 608015779 /nfs/dbraw/zinc/01/57/79/608015779.db2.gz MIUPJKKSICWAMV-WEVVVXLNSA-N -1 3 373.235 3.513 20 30 FHEDHM O=C1c2ccc(Br)cc2CC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475645 608015780 /nfs/dbraw/zinc/01/57/80/608015780.db2.gz MIUPJKKSICWAMV-WEVVVXLNSA-N -1 3 373.235 3.513 20 30 FHEDHM C=C[C@H](C)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823883012 608059371 /nfs/dbraw/zinc/05/93/71/608059371.db2.gz INYZDCBOSDWHJH-NSHDSACASA-N -1 3 369.812 3.617 20 30 FHEDHM C=C[C@H](C)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823883012 608059372 /nfs/dbraw/zinc/05/93/72/608059372.db2.gz INYZDCBOSDWHJH-NSHDSACASA-N -1 3 369.812 3.617 20 30 FHEDHM COc1ccc2oc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)cc2c1 ZINC000826213832 608109535 /nfs/dbraw/zinc/10/95/35/608109535.db2.gz OHWMUIKQNPLQCL-UKTHLTGXSA-N -1 3 372.384 3.834 20 30 FHEDHM COc1ccc2oc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)cc2c1 ZINC000826213832 608109536 /nfs/dbraw/zinc/10/95/36/608109536.db2.gz OHWMUIKQNPLQCL-UKTHLTGXSA-N -1 3 372.384 3.834 20 30 FHEDHM O=C1c2cccc(Br)c2CC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475606 608288536 /nfs/dbraw/zinc/28/85/36/608288536.db2.gz LCIIBIJVVUJHKE-YWEYNIOJSA-N -1 3 373.235 3.513 20 30 FHEDHM O=C1c2cccc(Br)c2CC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475606 608288538 /nfs/dbraw/zinc/28/85/38/608288538.db2.gz LCIIBIJVVUJHKE-YWEYNIOJSA-N -1 3 373.235 3.513 20 30 FHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826232182 608879260 /nfs/dbraw/zinc/87/92/60/608879260.db2.gz YBRNHAXBAAHGIH-OITNDJBGSA-N -1 3 358.423 3.828 20 30 FHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826232182 608879262 /nfs/dbraw/zinc/87/92/62/608879262.db2.gz YBRNHAXBAAHGIH-OITNDJBGSA-N -1 3 358.423 3.828 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(Cl)c1 ZINC000826191173 609134173 /nfs/dbraw/zinc/13/41/73/609134173.db2.gz ZACLKYBAUJKGPW-DAXSKMNVSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(Cl)c1 ZINC000826191173 609134174 /nfs/dbraw/zinc/13/41/74/609134174.db2.gz ZACLKYBAUJKGPW-DAXSKMNVSA-N -1 3 358.760 3.564 20 30 FHEDHM CC(=NNc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962135 609157806 /nfs/dbraw/zinc/15/78/06/609157806.db2.gz FZQVRDVNIQGQHY-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM CC(=NNc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962135 609157808 /nfs/dbraw/zinc/15/78/08/609157808.db2.gz FZQVRDVNIQGQHY-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399873 609270382 /nfs/dbraw/zinc/27/03/82/609270382.db2.gz ITFTZVRDCJVCSW-BAQGIRSFSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399873 609270384 /nfs/dbraw/zinc/27/03/84/609270384.db2.gz ITFTZVRDCJVCSW-BAQGIRSFSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402881 609273023 /nfs/dbraw/zinc/27/30/23/609273023.db2.gz FBBIZKABEDMMPG-VURMDHGXSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402881 609273024 /nfs/dbraw/zinc/27/30/24/609273024.db2.gz FBBIZKABEDMMPG-VURMDHGXSA-N -1 3 360.295 3.503 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824033942 609477636 /nfs/dbraw/zinc/47/76/36/609477636.db2.gz DHDFOBZEEZWDKO-LBPRGKRZSA-N -1 3 368.441 3.870 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824033942 609477638 /nfs/dbraw/zinc/47/76/38/609477638.db2.gz DHDFOBZEEZWDKO-LBPRGKRZSA-N -1 3 368.441 3.870 20 30 FHEDHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000162271216 936370486 /nfs/dbraw/zinc/37/04/86/936370486.db2.gz CDQPJQMJGPJQIY-ZDUSSCGKSA-N -1 3 354.406 3.504 20 30 FHEDHM Cc1cc(C(C#N)=C([O-])c2cc(F)c(C(F)(F)F)c(F)c2)nc(C)n1 ZINC000683221241 928293037 /nfs/dbraw/zinc/29/30/37/928293037.db2.gz PZTOQGQZCVKKBX-SNVBAGLBSA-N -1 3 355.266 3.881 20 30 FHEDHM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccc1-n1cncn1 ZINC000430586635 931964636 /nfs/dbraw/zinc/96/46/36/931964636.db2.gz WQFLUMHDTGGUBP-AWEZNQCLSA-N -1 3 365.462 3.820 20 30 FHEDHM COc1cc2c(cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1)OCO2 ZINC000430587908 931965212 /nfs/dbraw/zinc/96/52/12/931965212.db2.gz BIWPBXVWWDQWDB-LLVKDONJSA-N -1 3 358.419 3.668 20 30 FHEDHM C=CCCN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430627201 932395455 /nfs/dbraw/zinc/39/54/55/932395455.db2.gz TYMPTWYKRRJYOH-UHFFFAOYSA-N -1 3 369.646 3.592 20 30 FHEDHM N#Cc1ccc(SCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000126723892 932399523 /nfs/dbraw/zinc/39/95/23/932399523.db2.gz TXXXMFNMLVJYLG-UHFFFAOYSA-N -1 3 363.236 3.757 20 30 FHEDHM COc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2Cl)c(OC)cc1[O-] ZINC000588425820 932517737 /nfs/dbraw/zinc/51/77/37/932517737.db2.gz YPMLOZCRRGEOFW-XQRVVYSFSA-N -1 3 363.753 3.867 20 30 FHEDHM Cc1cc(C(C#N)=C([O-])c2cncc(-c3ccc4c(c3)CCO4)c2)nc(C)n1 ZINC000431128476 933879321 /nfs/dbraw/zinc/87/93/21/933879321.db2.gz RPMHZFPSOKPHMG-LJQANCHMSA-N -1 3 370.412 3.580 20 30 FHEDHM Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000121691632 934774822 /nfs/dbraw/zinc/77/48/22/934774822.db2.gz FVWDWIAMCSTZPL-OAHLLOKOSA-N -1 3 363.348 3.750 20 30 FHEDHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000472118410 935078152 /nfs/dbraw/zinc/07/81/52/935078152.db2.gz UGFVBWRNBMCMSZ-OAHLLOKOSA-N -1 3 372.428 3.886 20 30 FHEDHM COc1cc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)c(OC)cc1[O-] ZINC000255496060 935379294 /nfs/dbraw/zinc/37/92/94/935379294.db2.gz SKFAYYHPCVSDFG-YVMONPNESA-N -1 3 364.344 3.949 20 30 FHEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2)n1 ZINC000375685237 935472322 /nfs/dbraw/zinc/47/23/22/935472322.db2.gz ODZXOGAPGLQLLD-UHFFFAOYSA-N -1 3 364.792 3.523 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(Cl)s2)no1 ZINC000277916380 936167913 /nfs/dbraw/zinc/16/79/13/936167913.db2.gz MYYKZJABPGKFBL-UHFFFAOYSA-N -1 3 360.826 3.826 20 30 FHEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCO[C@]2(CCSC2)C1 ZINC000127687485 938280949 /nfs/dbraw/zinc/28/09/49/938280949.db2.gz XZAZCSLIYPZWFC-YTTRNUGISA-N -1 3 356.285 3.628 20 30 FHEDHM Cn1cc([C@H]([N-]C(=O)c2cccc(C(F)(F)F)c2F)C(F)(F)F)cn1 ZINC000278327148 938309477 /nfs/dbraw/zinc/30/94/77/938309477.db2.gz KXODJUWEHVOIEP-NSHDSACASA-N -1 3 369.240 3.611 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCCc2ccccc21 ZINC000329609703 938526829 /nfs/dbraw/zinc/52/68/29/938526829.db2.gz NMMXDRNTALFBBJ-UHFFFAOYSA-N -1 3 363.461 3.968 20 30 FHEDHM CN1C(=O)CCc2cc(N=Cc3cc(Br)ccc3[O-])ccc21 ZINC000255710599 939128999 /nfs/dbraw/zinc/12/89/99/939128999.db2.gz YXMADNVLWXWKHL-UHFFFAOYSA-N -1 3 359.223 3.814 20 30 FHEDHM COc1cc(C(=O)/C=C\c2cnn(Cc3ccccc3)c2)c(OC)cc1[O-] ZINC000255721774 939146946 /nfs/dbraw/zinc/14/69/46/939146946.db2.gz XHUWPMJSJBLVDD-HJWRWDBZSA-N -1 3 364.401 3.550 20 30 FHEDHM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000472394669 939211424 /nfs/dbraw/zinc/21/14/24/939211424.db2.gz CIXCQXHNYUTSHZ-CYBMUJFWSA-N -1 3 359.307 3.604 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2occc2C(C)C)no1 ZINC000426239228 945243998 /nfs/dbraw/zinc/24/39/98/945243998.db2.gz NTRLAULOXRQMAO-UHFFFAOYSA-N -1 3 352.394 3.827 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819740116 945277124 /nfs/dbraw/zinc/27/71/24/945277124.db2.gz PYEWGLRUVHGIHA-HNNXBMFYSA-N -1 3 368.485 3.706 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819740116 945277132 /nfs/dbraw/zinc/27/71/32/945277132.db2.gz PYEWGLRUVHGIHA-HNNXBMFYSA-N -1 3 368.485 3.706 20 30 FHEDHM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000892489676 940024318 /nfs/dbraw/zinc/02/43/18/940024318.db2.gz MAASBFAXLZOESP-LBPRGKRZSA-N -1 3 356.813 3.523 20 30 FHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000180782153 941075005 /nfs/dbraw/zinc/07/50/05/941075005.db2.gz ITCOAXAYPUICDT-UHFFFAOYSA-N -1 3 358.316 3.658 20 30 FHEDHM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)n1C1CCOCC1 ZINC000659115038 941084675 /nfs/dbraw/zinc/08/46/75/941084675.db2.gz NLFKHBZAHGBATP-SFHVURJKSA-N -1 3 374.444 3.890 20 30 FHEDHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000177996802 941155811 /nfs/dbraw/zinc/15/58/11/941155811.db2.gz DLIIXLQYLDEIEQ-UHFFFAOYSA-N -1 3 357.218 3.674 20 30 FHEDHM CC1CCN(c2ccc(C([O-])=C(C#N)c3ccccn3)cc2[N+](=O)[O-])CC1 ZINC000122656085 942015134 /nfs/dbraw/zinc/01/51/34/942015134.db2.gz HQIKJANFFDPOHI-MRXNPFEDSA-N -1 3 364.405 3.716 20 30 FHEDHM CC(C)[C@H]1C[C@@](NCc2ccc(C#N)c(F)c2)(C(=O)[O-])c2ccccc21 ZINC000421817215 942844130 /nfs/dbraw/zinc/84/41/30/942844130.db2.gz SJDGWOUPDMKQFC-UTKZUKDTSA-N -1 3 352.409 3.910 20 30 FHEDHM Cc1ccc([C@H]2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)cc1 ZINC000378642224 942991199 /nfs/dbraw/zinc/99/11/99/942991199.db2.gz FMIFNIKDPHTLQK-SFHVURJKSA-N -1 3 363.461 3.533 20 30 FHEDHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1C#N ZINC000435141363 943201446 /nfs/dbraw/zinc/20/14/46/943201446.db2.gz NZYHMXGOJLIUJH-UHFFFAOYSA-N -1 3 356.447 3.635 20 30 FHEDHM C=CCc1cc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc(OC)c1O ZINC000426721945 944722196 /nfs/dbraw/zinc/72/21/96/944722196.db2.gz FGFQTNGYJVFCBT-IBGZPJMESA-N -1 3 355.434 3.662 20 30 FHEDHM C=CCCCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436911164 944778327 /nfs/dbraw/zinc/77/83/27/944778327.db2.gz FALPBJMLAWLNKY-FQEVSTJZSA-N -1 3 366.461 3.726 20 30 FHEDHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](CCC#N)c3ccccc3)nc2)n1 ZINC000164288995 945612028 /nfs/dbraw/zinc/61/20/28/945612028.db2.gz ONBXUTQOZNQEBF-SFHVURJKSA-N -1 3 359.433 3.851 20 30 FHEDHM Cc1nnc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)c(C#N)c1C ZINC000511887059 945821348 /nfs/dbraw/zinc/82/13/48/945821348.db2.gz BLKVYMWKPMUIRJ-UHFFFAOYSA-N -1 3 363.402 3.652 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1OC(F)F ZINC000822923206 946219699 /nfs/dbraw/zinc/21/96/99/946219699.db2.gz OETMIIKHWPXNRA-FPYGCLRLSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1OC(F)F ZINC000822923206 946219708 /nfs/dbraw/zinc/21/97/08/946219708.db2.gz OETMIIKHWPXNRA-FPYGCLRLSA-N -1 3 360.295 3.503 20 30 FHEDHM C[C@H](Nc1cccc(C#N)n1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824663051 946890609 /nfs/dbraw/zinc/89/06/09/946890609.db2.gz VHIWNDKHCCARJD-AWEZNQCLSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@H](Nc1cccc(C#N)n1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824663051 946890620 /nfs/dbraw/zinc/89/06/20/946890620.db2.gz VHIWNDKHCCARJD-AWEZNQCLSA-N -1 3 367.416 3.973 20 30 FHEDHM CC1(C)Cc2cccc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)c2O1 ZINC000824813236 946939189 /nfs/dbraw/zinc/93/91/89/946939189.db2.gz WPQZPKMGGLCBET-CLFYSBASSA-N -1 3 364.380 3.615 20 30 FHEDHM CC1(C)Cc2cccc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)c2O1 ZINC000824813236 946939194 /nfs/dbraw/zinc/93/91/94/946939194.db2.gz WPQZPKMGGLCBET-CLFYSBASSA-N -1 3 364.380 3.615 20 30 FHEDHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000328689171 946989580 /nfs/dbraw/zinc/98/95/80/946989580.db2.gz HYVIVNHFFIUNKG-AWEZNQCLSA-N -1 3 360.351 4.000 20 30 FHEDHM CC(C)c1nc(C(=O)[N-]c2sccc2C#N)nn1-c1ccccc1F ZINC000152022019 947055924 /nfs/dbraw/zinc/05/59/24/947055924.db2.gz DNHCYGINHUZEIB-UHFFFAOYSA-N -1 3 355.398 3.715 20 30 FHEDHM C=C[C@@H](C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573301358 947137142 /nfs/dbraw/zinc/13/71/42/947137142.db2.gz ZDKGTXCEBQTPJE-MRXNPFEDSA-N -1 3 363.421 3.562 20 30 FHEDHM C=C[C@@H](C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573301358 947137149 /nfs/dbraw/zinc/13/71/49/947137149.db2.gz ZDKGTXCEBQTPJE-MRXNPFEDSA-N -1 3 363.421 3.562 20 30 FHEDHM C=C[C@@H](CC)CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001573316811 947283323 /nfs/dbraw/zinc/28/33/23/947283323.db2.gz ZTCVQPXSEGXKNP-ZDUSSCGKSA-N -1 3 364.409 3.595 20 30 FHEDHM C=C[C@@H](CC)CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001573316811 947283333 /nfs/dbraw/zinc/28/33/33/947283333.db2.gz ZTCVQPXSEGXKNP-ZDUSSCGKSA-N -1 3 364.409 3.595 20 30 FHEDHM C=CCC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573318902 947316112 /nfs/dbraw/zinc/31/61/12/947316112.db2.gz GUWNDBMHXFYMEK-UHFFFAOYSA-N -1 3 364.409 3.595 20 30 FHEDHM C=CCC(C)(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573318902 947316124 /nfs/dbraw/zinc/31/61/24/947316124.db2.gz GUWNDBMHXFYMEK-UHFFFAOYSA-N -1 3 364.409 3.595 20 30 FHEDHM CCC1(CC)CCC(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CC1 ZINC000331061992 947337473 /nfs/dbraw/zinc/33/74/73/947337473.db2.gz OPMLORHLPSUDBQ-UHFFFAOYSA-N -1 3 356.488 3.550 20 30 FHEDHM C=CCC1(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)CCCC1 ZINC001573325827 947362955 /nfs/dbraw/zinc/36/29/55/947362955.db2.gz HGGGRKIYJZGDJI-UHFFFAOYSA-N -1 3 367.497 3.988 20 30 FHEDHM C=CCC1(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)CCCC1 ZINC001573325827 947362967 /nfs/dbraw/zinc/36/29/67/947362967.db2.gz HGGGRKIYJZGDJI-UHFFFAOYSA-N -1 3 367.497 3.988 20 30 FHEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001573329365 947418388 /nfs/dbraw/zinc/41/83/88/947418388.db2.gz IMQTZCHKOYQUEM-HIFRSBDPSA-N -1 3 370.457 3.522 20 30 FHEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001573329365 947418396 /nfs/dbraw/zinc/41/83/96/947418396.db2.gz IMQTZCHKOYQUEM-HIFRSBDPSA-N -1 3 370.457 3.522 20 30 FHEDHM C=CCCCCCCCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001573334605 947459890 /nfs/dbraw/zinc/45/98/90/947459890.db2.gz FXDYCLAIJMAGBY-OAHLLOKOSA-N -1 3 356.474 3.754 20 30 FHEDHM C=CCCCCCCCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001573334605 947459897 /nfs/dbraw/zinc/45/98/97/947459897.db2.gz FXDYCLAIJMAGBY-OAHLLOKOSA-N -1 3 356.474 3.754 20 30 FHEDHM C=CCC[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573335094 947472281 /nfs/dbraw/zinc/47/22/81/947472281.db2.gz WCTZZWDHUOSSAD-KRWDZBQOSA-N -1 3 367.840 3.957 20 30 FHEDHM C=CCC[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573335094 947472287 /nfs/dbraw/zinc/47/22/87/947472287.db2.gz WCTZZWDHUOSSAD-KRWDZBQOSA-N -1 3 367.840 3.957 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCCCC(C)C ZINC001573341800 947535322 /nfs/dbraw/zinc/53/53/22/947535322.db2.gz QMCAYFLGZBAQLS-UHFFFAOYSA-N -1 3 355.486 3.988 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCCCC(C)C ZINC001573341800 947535331 /nfs/dbraw/zinc/53/53/31/947535331.db2.gz QMCAYFLGZBAQLS-UHFFFAOYSA-N -1 3 355.486 3.988 20 30 FHEDHM COc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc(Cl)c1[O-] ZINC000005129676 948012205 /nfs/dbraw/zinc/01/22/05/948012205.db2.gz JPXXQLFMXIEHMC-FARCUNLSSA-N -1 3 373.836 3.787 20 30 FHEDHM N#Cc1cccc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000826387329 948190836 /nfs/dbraw/zinc/19/08/36/948190836.db2.gz PWHNLAIYADGFLG-UHFFFAOYSA-N -1 3 356.345 3.718 20 30 FHEDHM O=C(C=Cc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403018 948226575 /nfs/dbraw/zinc/22/65/75/948226575.db2.gz HYEZPXNXYLUNOO-VURMDHGXSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403018 948226583 /nfs/dbraw/zinc/22/65/83/948226583.db2.gz HYEZPXNXYLUNOO-VURMDHGXSA-N -1 3 360.295 3.503 20 30 FHEDHM N#CC(=C([O-])c1ccc(Oc2ccccc2)nc1)c1nnc2n1CCCCC2 ZINC000603627414 568127413 /nfs/dbraw/zinc/12/74/13/568127413.db2.gz JHHMWDLAKIBRMJ-KRWDZBQOSA-N -1 3 373.416 3.682 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000291529434 568192617 /nfs/dbraw/zinc/19/26/17/568192617.db2.gz SMCCUDCAAJGHPA-GOSISDBHSA-N -1 3 355.482 3.828 20 30 FHEDHM Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c([O-])c1C ZINC000436688543 568279780 /nfs/dbraw/zinc/27/97/80/568279780.db2.gz LODQUFQYEDIPJK-UHFFFAOYSA-N -1 3 350.418 3.564 20 30 FHEDHM Cc1c2c(nc(SCc3noc(-c4ccccc4[O-])n3)c1C#N)CCC2 ZINC000436706965 568395669 /nfs/dbraw/zinc/39/56/69/568395669.db2.gz QSVOSCMFOTYQIT-UHFFFAOYSA-N -1 3 364.430 3.798 20 30 FHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3csc(Nc4ccccn4)n3)nc21 ZINC000606146229 568670750 /nfs/dbraw/zinc/67/07/50/568670750.db2.gz MDPJGBXRZZBOGF-LBPRGKRZSA-N -1 3 374.429 3.957 20 30 FHEDHM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000736533333 598824992 /nfs/dbraw/zinc/82/49/92/598824992.db2.gz ZHUSHZVNDREZBG-WUXMJOGZSA-N -1 3 365.412 3.748 20 30 FHEDHM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736533333 598824994 /nfs/dbraw/zinc/82/49/94/598824994.db2.gz ZHUSHZVNDREZBG-WUXMJOGZSA-N -1 3 365.412 3.748 20 30 FHEDHM CC[C@H](C)[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736320262 598918623 /nfs/dbraw/zinc/91/86/23/598918623.db2.gz SADCFVBPIIIEQG-SCLBCKFNSA-N -1 3 360.421 3.507 20 30 FHEDHM CC[C@H](C)[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736320262 598918624 /nfs/dbraw/zinc/91/86/24/598918624.db2.gz SADCFVBPIIIEQG-SCLBCKFNSA-N -1 3 360.421 3.507 20 30 FHEDHM N#Cc1cc(NC(=O)c2sccc2-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737708744 598925807 /nfs/dbraw/zinc/92/58/07/598925807.db2.gz GMOXWPHWKNEMNG-UHFFFAOYSA-N -1 3 372.413 3.719 20 30 FHEDHM N#Cc1cc(NC(=O)c2sccc2-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737708744 598925808 /nfs/dbraw/zinc/92/58/08/598925808.db2.gz GMOXWPHWKNEMNG-UHFFFAOYSA-N -1 3 372.413 3.719 20 30 FHEDHM COc1ccc(C=C2C(=O)c3ccsc3S[C@H]2C)cc1-c1nnn[n-]1 ZINC000821786148 599110767 /nfs/dbraw/zinc/11/07/67/599110767.db2.gz AQJQYWSJDDJJLP-SZUMLMDFSA-N -1 3 370.459 3.697 20 30 FHEDHM COc1ccc(C=C2C(=O)c3ccsc3S[C@H]2C)cc1-c1nn[n-]n1 ZINC000821786148 599110769 /nfs/dbraw/zinc/11/07/69/599110769.db2.gz AQJQYWSJDDJJLP-SZUMLMDFSA-N -1 3 370.459 3.697 20 30 FHEDHM CC(C)Oc1ccccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000820178701 599112721 /nfs/dbraw/zinc/11/27/21/599112721.db2.gz YJDMBHRUBOHJFS-FOWTUZBSSA-N -1 3 360.417 3.866 20 30 FHEDHM CC(C)Oc1ccccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000820178701 599112722 /nfs/dbraw/zinc/11/27/22/599112722.db2.gz YJDMBHRUBOHJFS-FOWTUZBSSA-N -1 3 360.417 3.866 20 30 FHEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1Cl ZINC000821786632 599115746 /nfs/dbraw/zinc/11/57/46/599115746.db2.gz HBKFAUQQGQFYPT-JYRVWZFOSA-N -1 3 366.808 3.741 20 30 FHEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1Cl ZINC000821786632 599115748 /nfs/dbraw/zinc/11/57/48/599115748.db2.gz HBKFAUQQGQFYPT-JYRVWZFOSA-N -1 3 366.808 3.741 20 30 FHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737801119 599152141 /nfs/dbraw/zinc/15/21/41/599152141.db2.gz LSNNIYFSDKMBAZ-MDZDMXLPSA-N -1 3 374.322 3.704 20 30 FHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737801119 599152142 /nfs/dbraw/zinc/15/21/42/599152142.db2.gz LSNNIYFSDKMBAZ-MDZDMXLPSA-N -1 3 374.322 3.704 20 30 FHEDHM CC(C)C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735758328 599195202 /nfs/dbraw/zinc/19/52/02/599195202.db2.gz ZOSZFPZQLKUKAP-SFHVURJKSA-N -1 3 360.421 3.507 20 30 FHEDHM CC(C)C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735758328 599195203 /nfs/dbraw/zinc/19/52/03/599195203.db2.gz ZOSZFPZQLKUKAP-SFHVURJKSA-N -1 3 360.421 3.507 20 30 FHEDHM Cc1c2c(nc(S[C@H](C)c3ccc(C#N)cc3)c1-c1nnn[n-]1)CCC2 ZINC000737220560 599288436 /nfs/dbraw/zinc/28/84/36/599288436.db2.gz ZFILFBRHZRRNQP-GFCCVEGCSA-N -1 3 362.462 3.784 20 30 FHEDHM Cc1c2c(nc(S[C@H](C)c3ccc(C#N)cc3)c1-c1nn[n-]n1)CCC2 ZINC000737220560 599288438 /nfs/dbraw/zinc/28/84/38/599288438.db2.gz ZFILFBRHZRRNQP-GFCCVEGCSA-N -1 3 362.462 3.784 20 30 FHEDHM FC(F)(F)c1cc(N=NC=CCc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737632071 598314882 /nfs/dbraw/zinc/31/48/82/598314882.db2.gz JMEKAXPTYINHRC-USVWQRASSA-N -1 3 358.327 3.997 20 30 FHEDHM FC(F)(F)c1cc(N=NC=CCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737632071 598314884 /nfs/dbraw/zinc/31/48/84/598314884.db2.gz JMEKAXPTYINHRC-USVWQRASSA-N -1 3 358.327 3.997 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(C)oc1C ZINC000735451089 598315095 /nfs/dbraw/zinc/31/50/95/598315095.db2.gz OQVHQDLCTJZJMU-UHFFFAOYSA-N -1 3 364.331 3.931 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(C)oc1C ZINC000735451089 598315097 /nfs/dbraw/zinc/31/50/97/598315097.db2.gz OQVHQDLCTJZJMU-UHFFFAOYSA-N -1 3 364.331 3.931 20 30 FHEDHM FC(F)(F)c1cc(NN=Cc2c[nH]c3ccccc23)ccc1-c1nn[n-]n1 ZINC000737632882 598315998 /nfs/dbraw/zinc/31/59/98/598315998.db2.gz OEWDKLKZDJGQEA-UHFFFAOYSA-N -1 3 371.326 3.813 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735503085 598503316 /nfs/dbraw/zinc/50/33/16/598503316.db2.gz IUEYTJFUHPOFKZ-ZDUSSCGKSA-N -1 3 350.451 3.731 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735503085 598503317 /nfs/dbraw/zinc/50/33/17/598503317.db2.gz IUEYTJFUHPOFKZ-ZDUSSCGKSA-N -1 3 350.451 3.731 20 30 FHEDHM Cc1cc2c(c(C)c1Cl)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1)CO2 ZINC000737284905 598512633 /nfs/dbraw/zinc/51/26/33/598512633.db2.gz OYNPZDNWYSJQKP-ZSOIEALJSA-N -1 3 366.808 3.796 20 30 FHEDHM Cc1cc2c(c(C)c1Cl)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)CO2 ZINC000737284905 598512635 /nfs/dbraw/zinc/51/26/35/598512635.db2.gz OYNPZDNWYSJQKP-ZSOIEALJSA-N -1 3 366.808 3.796 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3)c(C)c2c1 ZINC000737119540 598787558 /nfs/dbraw/zinc/78/75/58/598787558.db2.gz DPTCTDOYRMGZGB-WEVVVXLNSA-N -1 3 360.373 3.826 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3)c(C)c2c1 ZINC000737119540 598787560 /nfs/dbraw/zinc/78/75/60/598787560.db2.gz DPTCTDOYRMGZGB-WEVVVXLNSA-N -1 3 360.373 3.826 20 30 FHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738290964 598788185 /nfs/dbraw/zinc/78/81/85/598788185.db2.gz QTFPAYWZSUBKRB-YRNVUSSQSA-N -1 3 357.200 3.996 20 30 FHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738290964 598788187 /nfs/dbraw/zinc/78/81/87/598788187.db2.gz QTFPAYWZSUBKRB-YRNVUSSQSA-N -1 3 357.200 3.996 20 30 FHEDHM N#Cc1c(Cl)cccc1NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822818672 599311516 /nfs/dbraw/zinc/31/15/16/599311516.db2.gz FLDAMLFDZLAKTJ-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM N#Cc1c(Cl)cccc1NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822818672 599311517 /nfs/dbraw/zinc/31/15/17/599311517.db2.gz FLDAMLFDZLAKTJ-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM N#Cc1ccccc1CSCCNc1cccc(Cl)c1-c1nnn[n-]1 ZINC000822842707 599311874 /nfs/dbraw/zinc/31/18/74/599311874.db2.gz UTADLBYDSJFXCN-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM N#Cc1ccccc1CSCCNc1cccc(Cl)c1-c1nn[n-]n1 ZINC000822842707 599311876 /nfs/dbraw/zinc/31/18/76/599311876.db2.gz UTADLBYDSJFXCN-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM C[C@H](SCCOc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189240 599325720 /nfs/dbraw/zinc/32/57/20/599325720.db2.gz OPEPRPWROWPBDR-ZDUSSCGKSA-N -1 3 351.435 3.612 20 30 FHEDHM C[C@H](SCCOc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189240 599325725 /nfs/dbraw/zinc/32/57/25/599325725.db2.gz OPEPRPWROWPBDR-ZDUSSCGKSA-N -1 3 351.435 3.612 20 30 FHEDHM Cc1nn(-c2ccccc2)c(CSc2ccccc2C#N)c1-c1nnn[n-]1 ZINC000822487021 599350998 /nfs/dbraw/zinc/35/09/98/599350998.db2.gz YBRFYWTUBDYGDR-UHFFFAOYSA-N -1 3 373.445 3.525 20 30 FHEDHM N#Cc1ccccc1CSCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737727584 599397775 /nfs/dbraw/zinc/39/77/75/599397775.db2.gz ORQPTJKLTMICDL-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM N#Cc1ccccc1CSCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737727584 599397778 /nfs/dbraw/zinc/39/77/78/599397778.db2.gz ORQPTJKLTMICDL-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM C=CCOc1ccccc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000735436545 599436409 /nfs/dbraw/zinc/43/64/09/599436409.db2.gz MYKYHLNVQIRQIW-UHFFFAOYSA-N -1 3 358.405 3.592 20 30 FHEDHM C=CCOc1ccccc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000735436545 599436411 /nfs/dbraw/zinc/43/64/11/599436411.db2.gz MYKYHLNVQIRQIW-UHFFFAOYSA-N -1 3 358.405 3.592 20 30 FHEDHM C=CCCCN(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735412678 599466964 /nfs/dbraw/zinc/46/69/64/599466964.db2.gz IKPMKXYKPINTBQ-UHFFFAOYSA-N -1 3 363.421 3.697 20 30 FHEDHM C=CCCCN(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735412678 599466966 /nfs/dbraw/zinc/46/69/66/599466966.db2.gz IKPMKXYKPINTBQ-UHFFFAOYSA-N -1 3 363.421 3.697 20 30 FHEDHM C=C(Cl)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735402125 599502544 /nfs/dbraw/zinc/50/25/44/599502544.db2.gz IUCHUBPSJGZXMB-UHFFFAOYSA-N -1 3 370.800 3.533 20 30 FHEDHM C=C(Cl)CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402125 599502546 /nfs/dbraw/zinc/50/25/46/599502546.db2.gz IUCHUBPSJGZXMB-UHFFFAOYSA-N -1 3 370.800 3.533 20 30 FHEDHM C[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136830 599520043 /nfs/dbraw/zinc/52/00/43/599520043.db2.gz HSLDCRPYOGUPAM-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136830 599520046 /nfs/dbraw/zinc/52/00/46/599520046.db2.gz HSLDCRPYOGUPAM-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM CCN(CC)c1ccc(C=[NH+]CCc2ccc(NC(=O)[O-])cc2)c([O-])c1 ZINC000737088247 600365361 /nfs/dbraw/zinc/36/53/61/600365361.db2.gz HXJVHIXUVKZEOI-KGENOOAVSA-N -1 3 355.438 3.990 20 30 FHEDHM CCN(CC)c1ccc(/C=[NH+]/[C@H](CC(=O)[O-])c2ccc(OC)cc2)c([O-])c1 ZINC000737089502 600494442 /nfs/dbraw/zinc/49/44/42/600494442.db2.gz XFXMLVOCTWSWNY-VZMFNRANSA-N -1 3 370.449 3.882 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1c[nH]c2cc(F)ccc12 ZINC000822924140 607460755 /nfs/dbraw/zinc/46/07/55/607460755.db2.gz YLCAVHKRYBHZEL-UTCJRWHESA-N -1 3 351.316 3.522 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1c[nH]c2cc(F)ccc12 ZINC000822924140 607460756 /nfs/dbraw/zinc/46/07/56/607460756.db2.gz YLCAVHKRYBHZEL-UTCJRWHESA-N -1 3 351.316 3.522 20 30 FHEDHM O=C(C=Cc1cc(F)cc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000822923809 607458993 /nfs/dbraw/zinc/45/89/93/607458993.db2.gz VACPBWUXYYAVQI-PLNGDYQASA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1cc(F)cc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000822923809 607458994 /nfs/dbraw/zinc/45/89/94/607458994.db2.gz VACPBWUXYYAVQI-PLNGDYQASA-N -1 3 362.286 3.921 20 30 FHEDHM CSc1ccc2c(c1)CCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000821983412 607459510 /nfs/dbraw/zinc/45/95/10/607459510.db2.gz HJWCLFKXHYHKTM-MDWZMJQESA-N -1 3 366.421 3.940 20 30 FHEDHM CSc1ccc2c(c1)CCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000821983412 607459511 /nfs/dbraw/zinc/45/95/11/607459511.db2.gz HJWCLFKXHYHKTM-MDWZMJQESA-N -1 3 366.421 3.940 20 30 FHEDHM COCCSc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831788461 601303942 /nfs/dbraw/zinc/30/39/42/601303942.db2.gz UTVPKUGWNCJLLC-IFXJQAMLSA-N -1 3 370.474 3.773 20 30 FHEDHM CCCCCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825272134 607524022 /nfs/dbraw/zinc/52/40/22/607524022.db2.gz VYIKYOXPHFWNKN-UHFFFAOYSA-N -1 3 366.809 3.727 20 30 FHEDHM CCCCCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825272134 607524025 /nfs/dbraw/zinc/52/40/25/607524025.db2.gz VYIKYOXPHFWNKN-UHFFFAOYSA-N -1 3 366.809 3.727 20 30 FHEDHM N#CC(C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc2ccccc2n1 ZINC000831064618 604152722 /nfs/dbraw/zinc/15/27/22/604152722.db2.gz KEQIOLWMWYJUPI-CVGRLMLNSA-N -1 3 363.417 3.722 20 30 FHEDHM N#CCC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000826381450 607679184 /nfs/dbraw/zinc/67/91/84/607679184.db2.gz MGILADAAFWLCKE-CYBMUJFWSA-N -1 3 373.342 3.737 20 30 FHEDHM N#CCC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000826381450 607679185 /nfs/dbraw/zinc/67/91/85/607679185.db2.gz MGILADAAFWLCKE-CYBMUJFWSA-N -1 3 373.342 3.737 20 30 FHEDHM N#CC(C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])c1ccc2ccccc2n1 ZINC000831066432 604215433 /nfs/dbraw/zinc/21/54/33/604215433.db2.gz WZBNQPBIWVBNPL-QZTJIDSGSA-N -1 3 373.412 3.680 20 30 FHEDHM O=C(C=Cc1ccc(-c2ccncc2)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826400325 607682089 /nfs/dbraw/zinc/68/20/89/607682089.db2.gz VTMVTJYALXKAIQ-FPLPWBNLSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1ccc(-c2ccncc2)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826400325 607682091 /nfs/dbraw/zinc/68/20/91/607682091.db2.gz VTMVTJYALXKAIQ-FPLPWBNLSA-N -1 3 371.375 3.964 20 30 FHEDHM C[C@H](CN=Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000820219076 606165666 /nfs/dbraw/zinc/16/56/66/606165666.db2.gz CHGCMRHUEIJWQD-LLVKDONJSA-N -1 3 371.242 3.831 20 30 FHEDHM C[C@H](CN=Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000820219076 606165668 /nfs/dbraw/zinc/16/56/68/606165668.db2.gz CHGCMRHUEIJWQD-LLVKDONJSA-N -1 3 371.242 3.831 20 30 FHEDHM O=C1c2c([nH]c3ccc(F)cc32)CCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823498380 606306168 /nfs/dbraw/zinc/30/61/68/606306168.db2.gz NCNXKTUGRFEZEE-WEVVVXLNSA-N -1 3 365.393 3.761 20 30 FHEDHM O=C1c2c([nH]c3ccc(F)cc32)CCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823498380 606306169 /nfs/dbraw/zinc/30/61/69/606306169.db2.gz NCNXKTUGRFEZEE-WEVVVXLNSA-N -1 3 365.393 3.761 20 30 FHEDHM O=C(C=Cc1cnc(-c2cccs2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000822937065 606340036 /nfs/dbraw/zinc/34/00/36/606340036.db2.gz ZJQVBWVTBYPNAG-SREVYHEPSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1cnc(-c2cccs2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000822937065 606340038 /nfs/dbraw/zinc/34/00/38/606340038.db2.gz ZJQVBWVTBYPNAG-SREVYHEPSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccccc1C(F)(F)F ZINC000822929097 606388243 /nfs/dbraw/zinc/38/82/43/606388243.db2.gz POMBTHRNQMVUKT-ALCCZGGFSA-N -1 3 350.325 3.843 20 30 FHEDHM COc1cccc2cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)oc21 ZINC000821877773 606389485 /nfs/dbraw/zinc/38/94/85/606389485.db2.gz VCIUACHAUINHAH-ALCCZGGFSA-N -1 3 352.375 3.579 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)c(C)c2c1 ZINC000821853851 606390676 /nfs/dbraw/zinc/39/06/76/606390676.db2.gz BPJHHZYYZFYVNN-XQRVVYSFSA-N -1 3 366.402 3.888 20 30 FHEDHM N#Cc1ccc(Oc2ccc(Nc3ncccc3-c3nnn[n-]3)cc2)cc1 ZINC000822833361 606431031 /nfs/dbraw/zinc/43/10/31/606431031.db2.gz ONYSCTAMJGMTJM-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM N#Cc1ccc(Oc2ccc(Nc3ncccc3-c3nn[n-]n3)cc2)cc1 ZINC000822833361 606431033 /nfs/dbraw/zinc/43/10/33/606431033.db2.gz ONYSCTAMJGMTJM-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCCC1(C)C ZINC000819744130 606873863 /nfs/dbraw/zinc/87/38/63/606873863.db2.gz XJUZTFWICPZIRJ-QGZVFWFLSA-N -1 3 368.485 3.533 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCCC1(C)C ZINC000819744130 606873865 /nfs/dbraw/zinc/87/38/65/606873865.db2.gz XJUZTFWICPZIRJ-QGZVFWFLSA-N -1 3 368.485 3.533 20 30 FHEDHM O=C1C(=Cc2cnc(C3CCC3)s2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504919 607149627 /nfs/dbraw/zinc/14/96/27/607149627.db2.gz VNODMCRKNNQECY-UKTHLTGXSA-N -1 3 363.446 3.803 20 30 FHEDHM O=C1C(=Cc2cnc(C3CCC3)s2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504919 607149628 /nfs/dbraw/zinc/14/96/28/607149628.db2.gz VNODMCRKNNQECY-UKTHLTGXSA-N -1 3 363.446 3.803 20 30 FHEDHM CC(C)(C#N)c1ccccc1COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819892128 607161060 /nfs/dbraw/zinc/16/10/60/607161060.db2.gz VTPPMCZWYVFODA-UHFFFAOYSA-N -1 3 353.813 3.900 20 30 FHEDHM CC(C)(C#N)c1ccccc1COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819892128 607161062 /nfs/dbraw/zinc/16/10/62/607161062.db2.gz VTPPMCZWYVFODA-UHFFFAOYSA-N -1 3 353.813 3.900 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822930310 607171750 /nfs/dbraw/zinc/17/17/50/607171750.db2.gz YVGZUZMDGMMHLP-IZZDOVSWSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822930310 607171751 /nfs/dbraw/zinc/17/17/51/607171751.db2.gz YVGZUZMDGMMHLP-IZZDOVSWSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C1c2cccc(Cl)c2SCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476678 607885076 /nfs/dbraw/zinc/88/50/76/607885076.db2.gz MMGTYEORLQHTOY-FLIBITNWSA-N -1 3 354.822 3.892 20 30 FHEDHM O=C1c2cccc(Cl)c2SCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476678 607885077 /nfs/dbraw/zinc/88/50/77/607885077.db2.gz MMGTYEORLQHTOY-FLIBITNWSA-N -1 3 354.822 3.892 20 30 FHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476817 607885247 /nfs/dbraw/zinc/88/52/47/607885247.db2.gz PSLXWFIKRWEOHL-JXMROGBWSA-N -1 3 357.200 3.996 20 30 FHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476817 607885248 /nfs/dbraw/zinc/88/52/48/607885248.db2.gz PSLXWFIKRWEOHL-JXMROGBWSA-N -1 3 357.200 3.996 20 30 FHEDHM Clc1cccc(N2CCCC2)c1C=[NH+][N-]c1cccc(-c2nn[n-]n2)c1 ZINC000826353208 608110557 /nfs/dbraw/zinc/11/05/57/608110557.db2.gz GGUBCFZDMCCXSN-UHFFFAOYSA-N -1 3 367.844 3.566 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826476009 608387486 /nfs/dbraw/zinc/38/74/86/608387486.db2.gz YRCCDFMYVGBPAQ-LCYFTJDESA-N -1 3 352.781 3.569 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826476009 608387488 /nfs/dbraw/zinc/38/74/88/608387488.db2.gz YRCCDFMYVGBPAQ-LCYFTJDESA-N -1 3 352.781 3.569 20 30 FHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cc3ccccc3s2)n1 ZINC000826349981 608537569 /nfs/dbraw/zinc/53/75/69/608537569.db2.gz CDWVNVCOPIQOLD-UHFFFAOYSA-N -1 3 355.814 3.576 20 30 FHEDHM C[C@@H](CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(Cl)c1 ZINC000824385093 608538549 /nfs/dbraw/zinc/53/85/49/608538549.db2.gz LRFHDVUOUIFOON-VIFPVBQESA-N -1 3 362.224 3.770 20 30 FHEDHM C[C@@H](CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(Cl)c1 ZINC000824385093 608538550 /nfs/dbraw/zinc/53/85/50/608538550.db2.gz LRFHDVUOUIFOON-VIFPVBQESA-N -1 3 362.224 3.770 20 30 FHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCCCCCOc2ccccc2)n1 ZINC000826350431 608539395 /nfs/dbraw/zinc/53/93/95/608539395.db2.gz VWUHNFUFHQMNCN-UHFFFAOYSA-N -1 3 371.832 3.562 20 30 FHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCCCCCOc2ccccc2)n1 ZINC000826350431 608539397 /nfs/dbraw/zinc/53/93/97/608539397.db2.gz VWUHNFUFHQMNCN-UHFFFAOYSA-N -1 3 371.832 3.562 20 30 FHEDHM Cc1ccccc1C1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000826307176 608539449 /nfs/dbraw/zinc/53/94/49/608539449.db2.gz YHEMVNDCEVAQRA-UHFFFAOYSA-N -1 3 353.817 3.569 20 30 FHEDHM Cc1ccccc1C1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000826307176 608539452 /nfs/dbraw/zinc/53/94/52/608539452.db2.gz YHEMVNDCEVAQRA-UHFFFAOYSA-N -1 3 353.817 3.569 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000826401435 608874906 /nfs/dbraw/zinc/87/49/06/608874906.db2.gz YMZXHBZGLAJFOW-VURMDHGXSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000826401435 608874907 /nfs/dbraw/zinc/87/49/07/608874907.db2.gz YMZXHBZGLAJFOW-VURMDHGXSA-N -1 3 362.286 3.921 20 30 FHEDHM C=C(C)CN(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000823872702 609347517 /nfs/dbraw/zinc/34/75/17/609347517.db2.gz CUROEAUULFQIMB-UHFFFAOYSA-N -1 3 363.421 3.616 20 30 FHEDHM C=C(C)CN(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000823872702 609347518 /nfs/dbraw/zinc/34/75/18/609347518.db2.gz CUROEAUULFQIMB-UHFFFAOYSA-N -1 3 363.421 3.616 20 30 FHEDHM C=C(C)CN(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823873208 609380610 /nfs/dbraw/zinc/38/06/10/609380610.db2.gz KAMUNVZHNHSHJW-UHFFFAOYSA-N -1 3 364.409 3.699 20 30 FHEDHM C=C(C)CN(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823873208 609380614 /nfs/dbraw/zinc/38/06/14/609380614.db2.gz KAMUNVZHNHSHJW-UHFFFAOYSA-N -1 3 364.409 3.699 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)=Cc1ccc(C)cc1 ZINC000823910231 609449665 /nfs/dbraw/zinc/44/96/65/609449665.db2.gz ZYVGIRQUNHVFIQ-GHRIWEEISA-N -1 3 373.460 3.793 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)=Cc1ccc(C)cc1 ZINC000823910231 609449667 /nfs/dbraw/zinc/44/96/67/609449667.db2.gz ZYVGIRQUNHVFIQ-GHRIWEEISA-N -1 3 373.460 3.793 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824033940 609477265 /nfs/dbraw/zinc/47/72/65/609477265.db2.gz DHDFOBZEEZWDKO-GFCCVEGCSA-N -1 3 368.441 3.870 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824033940 609477266 /nfs/dbraw/zinc/47/72/66/609477266.db2.gz DHDFOBZEEZWDKO-GFCCVEGCSA-N -1 3 368.441 3.870 20 30 FHEDHM N#CC(=C([O-])c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccn1 ZINC000122013163 936365102 /nfs/dbraw/zinc/36/51/02/936365102.db2.gz LQEFGDCMOOKQJE-SFHVURJKSA-N -1 3 365.396 3.819 20 30 FHEDHM Cc1nc(NC(=O)c2cc3c(cc2[O-])CCCC3)sc1SCC#N ZINC000065618462 937185505 /nfs/dbraw/zinc/18/55/05/937185505.db2.gz OLJSTNFJQZAIFL-UHFFFAOYSA-N -1 3 359.476 3.904 20 30 FHEDHM CCCc1ncc(C(=O)[N-]c2sc(C(=O)OCC)c(C)c2C#N)s1 ZINC000610220519 928282123 /nfs/dbraw/zinc/28/21/23/928282123.db2.gz GJDDVPRAHZWIRJ-UHFFFAOYSA-N -1 3 363.464 3.766 20 30 FHEDHM Cc1cc(C)c(CC(=C([O-])Nc2ccncc2C#N)C(F)(F)F)c(C)c1 ZINC000535966721 937253699 /nfs/dbraw/zinc/25/36/99/937253699.db2.gz SXYZLGQEJFJHJM-MRXNPFEDSA-N -1 3 361.367 3.660 20 30 FHEDHM O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000051266075 930603303 /nfs/dbraw/zinc/60/33/03/930603303.db2.gz IVLZIFRCAOATGE-UHFFFAOYSA-N -1 3 354.210 3.553 20 30 FHEDHM O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000051266075 930603307 /nfs/dbraw/zinc/60/33/07/930603307.db2.gz IVLZIFRCAOATGE-UHFFFAOYSA-N -1 3 354.210 3.553 20 30 FHEDHM C[S@](=O)Cc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255387669 932986917 /nfs/dbraw/zinc/98/69/17/932986917.db2.gz ZCRLHVBLKXPSAR-FQEVSTJZSA-N -1 3 352.253 3.784 20 30 FHEDHM O=C(Nc1cccc(F)c1)c1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255421975 934571131 /nfs/dbraw/zinc/57/11/31/934571131.db2.gz WXAWNZMUGMMXAQ-UHFFFAOYSA-N -1 3 366.348 3.945 20 30 FHEDHM COc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)cc1OC1CCCC1 ZINC000728438318 934891858 /nfs/dbraw/zinc/89/18/58/934891858.db2.gz UEJYQPVTHVLXJP-WSDLNYQXSA-N -1 3 370.449 3.537 20 30 FHEDHM N#Cc1ccc(C2(C(=O)Nc3ccc(Br)cc3[O-])CC2)cc1 ZINC000548688755 935323061 /nfs/dbraw/zinc/32/30/61/935323061.db2.gz DZIVFPDZQXGINO-UHFFFAOYSA-N -1 3 357.207 3.697 20 30 FHEDHM N#CCC[C@H](C#N)CNc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737684896 945113477 /nfs/dbraw/zinc/11/34/77/945113477.db2.gz QPOAIDKOPBPUJY-CQSZACIVSA-N -1 3 359.393 3.514 20 30 FHEDHM N#CCC[C@H](C#N)CNc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737684896 945113482 /nfs/dbraw/zinc/11/34/82/945113482.db2.gz QPOAIDKOPBPUJY-CQSZACIVSA-N -1 3 359.393 3.514 20 30 FHEDHM O=C(Cc1ccc([O-])c(F)c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000648174735 936300068 /nfs/dbraw/zinc/30/00/68/936300068.db2.gz FGSRBUZIPZVWPQ-NXEZZACHSA-N -1 3 373.268 3.663 20 30 FHEDHM N#CC(=C([O-])c1cccnc1OCC(F)F)c1ccc2ccccc2n1 ZINC000093243631 938253208 /nfs/dbraw/zinc/25/32/08/938253208.db2.gz CXJHAMFLSTUISP-AWEZNQCLSA-N -1 3 353.328 3.764 20 30 FHEDHM COc1cc(/C=C/C(=O)c2cnn(-c3ccccn3)c2C)cc(Cl)c1[O-] ZINC000176847009 938867175 /nfs/dbraw/zinc/86/71/75/938867175.db2.gz OAWVDQSNDJJLQE-VOTSOKGWSA-N -1 3 369.808 3.839 20 30 FHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])C=CSCc1ccco1 ZINC000255658231 939064965 /nfs/dbraw/zinc/06/49/65/939064965.db2.gz USXBDYOMPZULAC-ZHUYAKLQSA-N -1 3 370.430 3.773 20 30 FHEDHM N#CC(=C([O-])c1ccc(NC(=O)C2CC2)cc1)c1nc(C2CC2)cs1 ZINC000647372651 939066103 /nfs/dbraw/zinc/06/61/03/939066103.db2.gz RAJRLXYBLGJCMY-HNNXBMFYSA-N -1 3 351.431 3.859 20 30 FHEDHM O=C(CCc1ccccc1)N1CC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000255833554 939888865 /nfs/dbraw/zinc/88/88/65/939888865.db2.gz PVWKQVCUAUPOCZ-QLTNSANVSA-N -1 3 356.853 3.698 20 30 FHEDHM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000892499195 940090831 /nfs/dbraw/zinc/09/08/31/940090831.db2.gz UAGLVRHJWPUCFH-GFCCVEGCSA-N -1 3 374.803 3.662 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1F ZINC000427345140 945301793 /nfs/dbraw/zinc/30/17/93/945301793.db2.gz DAGWDHMPJRUWJO-UHFFFAOYSA-N -1 3 360.341 3.897 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000189362749 941157516 /nfs/dbraw/zinc/15/75/16/941157516.db2.gz HFPPMTXAJFGTAT-IRXDYDNUSA-N -1 3 371.525 3.907 20 30 FHEDHM C=C(C)CN(CC)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182933714 941476723 /nfs/dbraw/zinc/47/67/23/941476723.db2.gz JFGHSECKEXDOTO-HXUWFJFHSA-N -1 3 366.461 3.678 20 30 FHEDHM Cc1cc([O-])c(I)c(O[C@@H](C)C#C[Si](C)(C)C)c1 ZINC001225512184 941831393 /nfs/dbraw/zinc/83/13/93/941831393.db2.gz ZBHDVHATEXETHG-NSHDSACASA-N -1 3 374.294 3.953 20 30 FHEDHM Cc1c(C#N)cccc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000541306573 942587894 /nfs/dbraw/zinc/58/78/94/942587894.db2.gz BJCPJOARNFMFCT-UHFFFAOYSA-N -1 3 371.393 3.603 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NC=C1c2ccccc2C(=O)[N-]C1=O ZINC000066813714 942735806 /nfs/dbraw/zinc/73/58/06/942735806.db2.gz IIWGTSDWYHSDDG-MLDYKZIASA-N -1 3 363.442 3.804 20 30 FHEDHM C=CCCCN(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183875433 943066618 /nfs/dbraw/zinc/06/66/18/943066618.db2.gz ABOKIBNQSMZMGW-HXUWFJFHSA-N -1 3 366.461 3.678 20 30 FHEDHM C=CC[C@H]1CCCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000664333892 943356778 /nfs/dbraw/zinc/35/67/78/943356778.db2.gz SRYPOBXTFIBQJH-HNNXBMFYSA-N -1 3 352.438 3.978 20 30 FHEDHM N#C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(OCc2ccccc2)cc1 ZINC000436605405 944456361 /nfs/dbraw/zinc/45/63/61/944456361.db2.gz PGMLXARLVJHNSV-HXUWFJFHSA-N -1 3 358.397 3.966 20 30 FHEDHM Cc1nc(-c2ccc(NC(=O)N3CCC(CCC#N)CC3)cc2)cc(=O)[n-]1 ZINC000517738141 944550757 /nfs/dbraw/zinc/55/07/57/944550757.db2.gz DFXPOGJAZUPTKA-UHFFFAOYSA-N -1 3 365.437 3.705 20 30 FHEDHM N#Cc1ccc(Cl)cc1NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436945677 944833502 /nfs/dbraw/zinc/83/35/02/944833502.db2.gz UUOJEVZKWFGMFN-UHFFFAOYSA-N -1 3 355.825 3.634 20 30 FHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C(C)C)c([N+](=O)[O-])c3)nc1-2 ZINC000439664176 944864657 /nfs/dbraw/zinc/86/46/57/944864657.db2.gz UXAIJAPFFKIHRX-AWEZNQCLSA-N -1 3 363.377 3.788 20 30 FHEDHM N#CC1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCSCC1 ZINC000093246461 945938993 /nfs/dbraw/zinc/93/89/93/945938993.db2.gz ROXIZUQHRKKUTA-UHFFFAOYSA-N -1 3 366.486 3.697 20 30 FHEDHM C=CCCC[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000823894734 946507110 /nfs/dbraw/zinc/50/71/10/946507110.db2.gz WWUIKAUYFKJHIZ-INIZCTEOSA-N -1 3 370.501 3.779 20 30 FHEDHM C=CCCC[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000823894734 946507119 /nfs/dbraw/zinc/50/71/19/946507119.db2.gz WWUIKAUYFKJHIZ-INIZCTEOSA-N -1 3 370.501 3.779 20 30 FHEDHM COc1ccccc1[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])N1CCCC1 ZINC000005292715 946794842 /nfs/dbraw/zinc/79/48/42/946794842.db2.gz JIZOYBXLCANZMU-KOMLCTQHSA-N -1 3 369.421 3.565 20 30 FHEDHM Cc1csc(C(C#N)=C([O-])c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000444445711 946797990 /nfs/dbraw/zinc/79/79/90/946797990.db2.gz SAOUEDBBNVIVKZ-HNNXBMFYSA-N -1 3 359.410 3.936 20 30 FHEDHM CC(C)(NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)NCC1CCCCC1 ZINC000328658268 946968157 /nfs/dbraw/zinc/96/81/57/946968157.db2.gz QSSIQLDIJSQLAX-UHFFFAOYSA-N -1 3 361.421 3.717 20 30 FHEDHM C=C(C)c1cccc(NC(=O)N(C)CCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001573294708 946996711 /nfs/dbraw/zinc/99/67/11/946996711.db2.gz IZWAWWVEIISCPA-UHFFFAOYSA-N -1 3 362.437 3.606 20 30 FHEDHM C=C(C)c1cccc(NC(=O)N(C)CCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001573294708 946996714 /nfs/dbraw/zinc/99/67/14/946996714.db2.gz IZWAWWVEIISCPA-UHFFFAOYSA-N -1 3 362.437 3.606 20 30 FHEDHM COc1cc(C#N)ccc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826176705 947549051 /nfs/dbraw/zinc/54/90/51/947549051.db2.gz AAIGBPOGYPISMH-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1cc(C#N)ccc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826176705 947549056 /nfs/dbraw/zinc/54/90/56/947549056.db2.gz AAIGBPOGYPISMH-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM O=C([O-])CC[C@H](CNCc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000663262975 947594287 /nfs/dbraw/zinc/59/42/87/947594287.db2.gz WKOQSMRQFXSCKR-SECBINFHSA-N -1 3 361.257 3.977 20 30 FHEDHM COc1ccc(CSc2cccc(Cl)c2-c2nnn[n-]2)cc1C#N ZINC000826207802 947608347 /nfs/dbraw/zinc/60/83/47/947608347.db2.gz DZCRUVCGPPAMST-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1ccc(CSc2cccc(Cl)c2-c2nn[n-]n2)cc1C#N ZINC000826207802 947608356 /nfs/dbraw/zinc/60/83/56/947608356.db2.gz DZCRUVCGPPAMST-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM Cc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc2cccnc12 ZINC000826266499 947770400 /nfs/dbraw/zinc/77/04/00/947770400.db2.gz QKDHVVFSOFHFTN-BOPFTXTBSA-N -1 3 367.412 3.936 20 30 FHEDHM Cc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc2cccnc12 ZINC000826266499 947770406 /nfs/dbraw/zinc/77/04/06/947770406.db2.gz QKDHVVFSOFHFTN-BOPFTXTBSA-N -1 3 367.412 3.936 20 30 FHEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826295406 947854970 /nfs/dbraw/zinc/85/49/70/947854970.db2.gz GAIYDRDAJACNJR-SOFGYWHQSA-N -1 3 374.379 3.600 20 30 FHEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826295406 947854981 /nfs/dbraw/zinc/85/49/81/947854981.db2.gz GAIYDRDAJACNJR-SOFGYWHQSA-N -1 3 374.379 3.600 20 30 FHEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400835 948219005 /nfs/dbraw/zinc/21/90/05/948219005.db2.gz JMFWBXUPHYRORF-FPYGCLRLSA-N -1 3 374.322 3.546 20 30 FHEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400835 948219015 /nfs/dbraw/zinc/21/90/15/948219015.db2.gz JMFWBXUPHYRORF-FPYGCLRLSA-N -1 3 374.322 3.546 20 30 FHEDHM CCSCc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000128747348 568251872 /nfs/dbraw/zinc/25/18/72/568251872.db2.gz GEFFLHYSVXYWLB-UHFFFAOYSA-N -1 3 369.490 3.688 20 30 FHEDHM CC[C@H](C)[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736320263 598918602 /nfs/dbraw/zinc/91/86/02/598918602.db2.gz SADCFVBPIIIEQG-UGSOOPFHSA-N -1 3 360.421 3.507 20 30 FHEDHM CC[C@H](C)[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736320263 598918603 /nfs/dbraw/zinc/91/86/03/598918603.db2.gz SADCFVBPIIIEQG-UGSOOPFHSA-N -1 3 360.421 3.507 20 30 FHEDHM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735650428 598921025 /nfs/dbraw/zinc/92/10/25/598921025.db2.gz OLDIZCAAOKAYNG-UHFFFAOYSA-N -1 3 374.448 3.607 20 30 FHEDHM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735650428 598921026 /nfs/dbraw/zinc/92/10/26/598921026.db2.gz OLDIZCAAOKAYNG-UHFFFAOYSA-N -1 3 374.448 3.607 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H](CC)C1 ZINC000735418164 599023073 /nfs/dbraw/zinc/02/30/73/599023073.db2.gz CQTGIXCNWBAHIQ-MAUKXSAKSA-N -1 3 368.485 3.533 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@H](CC)C1 ZINC000735418164 599023074 /nfs/dbraw/zinc/02/30/74/599023074.db2.gz CQTGIXCNWBAHIQ-MAUKXSAKSA-N -1 3 368.485 3.533 20 30 FHEDHM CCN(CC)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821196593 599112282 /nfs/dbraw/zinc/11/22/82/599112282.db2.gz BMHNPBRLDJTTNV-LGMDPLHJSA-N -1 3 373.460 3.925 20 30 FHEDHM CCN(CC)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821196593 599112283 /nfs/dbraw/zinc/11/22/83/599112283.db2.gz BMHNPBRLDJTTNV-LGMDPLHJSA-N -1 3 373.460 3.925 20 30 FHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(OC(F)F)cc1 ZINC000823503831 599117081 /nfs/dbraw/zinc/11/70/81/599117081.db2.gz JFWLCZNCXRCXDG-UKTHLTGXSA-N -1 3 368.343 3.681 20 30 FHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(OC(F)F)cc1 ZINC000823503831 599117083 /nfs/dbraw/zinc/11/70/83/599117083.db2.gz JFWLCZNCXRCXDG-UKTHLTGXSA-N -1 3 368.343 3.681 20 30 FHEDHM CC(C)(C#N)CCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000819892056 599126553 /nfs/dbraw/zinc/12/65/53/599126553.db2.gz RXBLFYJBUYMOSB-UHFFFAOYSA-N -1 3 350.451 3.961 20 30 FHEDHM CC(C)(C#N)CCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000819892056 599126556 /nfs/dbraw/zinc/12/65/56/599126556.db2.gz RXBLFYJBUYMOSB-UHFFFAOYSA-N -1 3 350.451 3.961 20 30 FHEDHM CC[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000736334607 599191086 /nfs/dbraw/zinc/19/10/86/599191086.db2.gz VYFKAFVWLIKXQZ-AWEZNQCLSA-N -1 3 360.421 3.569 20 30 FHEDHM CC[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000736334607 599191088 /nfs/dbraw/zinc/19/10/88/599191088.db2.gz VYFKAFVWLIKXQZ-AWEZNQCLSA-N -1 3 360.421 3.569 20 30 FHEDHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735922305 599193362 /nfs/dbraw/zinc/19/33/62/599193362.db2.gz FPPJIQPVRVCUNW-MOPGFXCFSA-N -1 3 372.432 3.604 20 30 FHEDHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735922305 599193364 /nfs/dbraw/zinc/19/33/64/599193364.db2.gz FPPJIQPVRVCUNW-MOPGFXCFSA-N -1 3 372.432 3.604 20 30 FHEDHM Cc1cc(C)c2ncc(C#N)c(N(C)Cc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000737249092 599270161 /nfs/dbraw/zinc/27/01/61/599270161.db2.gz ROEKJLVUZJPBSD-UHFFFAOYSA-N -1 3 369.432 3.540 20 30 FHEDHM Cc1cc(C)c2ncc(C#N)c(N(C)Cc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000737249092 599270163 /nfs/dbraw/zinc/27/01/63/599270163.db2.gz ROEKJLVUZJPBSD-UHFFFAOYSA-N -1 3 369.432 3.540 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(C)o1 ZINC000735451170 598313799 /nfs/dbraw/zinc/31/37/99/598313799.db2.gz RBUFXTABSJSDBQ-UHFFFAOYSA-N -1 3 350.304 3.623 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(C)o1 ZINC000735451170 598313801 /nfs/dbraw/zinc/31/38/01/598313801.db2.gz RBUFXTABSJSDBQ-UHFFFAOYSA-N -1 3 350.304 3.623 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000735451268 598315396 /nfs/dbraw/zinc/31/53/96/598315396.db2.gz WFSYAELFQNXMBP-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000735451268 598315398 /nfs/dbraw/zinc/31/53/98/598315398.db2.gz WFSYAELFQNXMBP-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM Cc1c(C(=O)C=Cc2cc(C)c(C)cc2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737247583 598639381 /nfs/dbraw/zinc/63/93/81/598639381.db2.gz YBUZKAPBLSNOKU-BQYQJAHWSA-N -1 3 361.449 3.744 20 30 FHEDHM Cc1c(C(=O)C=Cc2cc(C)c(C)cc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737247583 598639382 /nfs/dbraw/zinc/63/93/82/598639382.db2.gz YBUZKAPBLSNOKU-BQYQJAHWSA-N -1 3 361.449 3.744 20 30 FHEDHM C=C(Cl)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000735402261 599389463 /nfs/dbraw/zinc/38/94/63/599389463.db2.gz ONTRMYXHTNSRJH-UHFFFAOYSA-N -1 3 371.853 3.500 20 30 FHEDHM C=C(Cl)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000735402261 599389466 /nfs/dbraw/zinc/38/94/66/599389466.db2.gz ONTRMYXHTNSRJH-UHFFFAOYSA-N -1 3 371.853 3.500 20 30 FHEDHM C=C(Cl)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735402330 599500435 /nfs/dbraw/zinc/50/04/35/599500435.db2.gz RABJMAKCNXUVEZ-UHFFFAOYSA-N -1 3 370.800 3.533 20 30 FHEDHM C=C(Cl)CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735402330 599500438 /nfs/dbraw/zinc/50/04/38/599500438.db2.gz RABJMAKCNXUVEZ-UHFFFAOYSA-N -1 3 370.800 3.533 20 30 FHEDHM O=C1c2cc(OC(F)(F)F)ccc2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738288200 599538226 /nfs/dbraw/zinc/53/82/26/599538226.db2.gz BAWRGKOCTCSDKK-QPEQYQDCSA-N -1 3 372.306 3.588 20 30 FHEDHM O=C1c2cc(OC(F)(F)F)ccc2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738288200 599538229 /nfs/dbraw/zinc/53/82/29/599538229.db2.gz BAWRGKOCTCSDKK-QPEQYQDCSA-N -1 3 372.306 3.588 20 30 FHEDHM C=CCC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000819734120 607404744 /nfs/dbraw/zinc/40/47/44/607404744.db2.gz IXGSAAIPEGBLBT-VKNLVWNJSA-N -1 3 359.433 3.704 20 30 FHEDHM C=CCC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000819734120 607404746 /nfs/dbraw/zinc/40/47/46/607404746.db2.gz IXGSAAIPEGBLBT-VKNLVWNJSA-N -1 3 359.433 3.704 20 30 FHEDHM N#Cc1ccc(OC2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)cc1 ZINC000739128965 600406221 /nfs/dbraw/zinc/40/62/21/600406221.db2.gz LZHWQMUHBQIHGG-IBGZPJMESA-N -1 3 370.836 3.881 20 30 FHEDHM N#Cc1ccc(OC2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)cc1 ZINC000739128966 600406264 /nfs/dbraw/zinc/40/62/64/600406264.db2.gz LZHWQMUHBQIHGG-LJQANCHMSA-N -1 3 370.836 3.881 20 30 FHEDHM O=C1c2cc(F)ccc2SCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823503039 607458936 /nfs/dbraw/zinc/45/89/36/607458936.db2.gz AMXZJZARAHKCDJ-VZUCSPMQSA-N -1 3 356.357 3.517 20 30 FHEDHM O=C1c2cc(F)ccc2SCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503039 607458937 /nfs/dbraw/zinc/45/89/37/607458937.db2.gz AMXZJZARAHKCDJ-VZUCSPMQSA-N -1 3 356.357 3.517 20 30 FHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000821977289 607459464 /nfs/dbraw/zinc/45/94/64/607459464.db2.gz FJUWTRRMHVFYPA-XQRVVYSFSA-N -1 3 358.373 3.763 20 30 FHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000821977289 607459465 /nfs/dbraw/zinc/45/94/65/607459465.db2.gz FJUWTRRMHVFYPA-XQRVVYSFSA-N -1 3 358.373 3.763 20 30 FHEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(Br)c1 ZINC000827716672 601299366 /nfs/dbraw/zinc/29/93/66/601299366.db2.gz AABVMFJUBJZCRB-BZNIZROVSA-N -1 3 359.223 3.797 20 30 FHEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(Br)c1 ZINC000827716674 601299378 /nfs/dbraw/zinc/29/93/78/601299378.db2.gz AABVMFJUBJZCRB-ZBEGNZNMSA-N -1 3 359.223 3.797 20 30 FHEDHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC000832341446 601303932 /nfs/dbraw/zinc/30/39/32/601303932.db2.gz LEFZDCTYVGMEGG-INIZCTEOSA-N -1 3 364.323 3.501 20 30 FHEDHM Cc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc(C)c1OCC(=O)[O-] ZINC000832859760 601503767 /nfs/dbraw/zinc/50/37/67/601503767.db2.gz WCTXPUMQDHICEJ-AWEZNQCLSA-N -1 3 372.446 3.837 20 30 FHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC000827710195 601560188 /nfs/dbraw/zinc/56/01/88/601560188.db2.gz OCPZHXXGEZALLN-BDJLRTHQSA-N -1 3 364.323 3.933 20 30 FHEDHM C[C@H](C(=O)[O-])[C@@H](NCc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000826054841 601653265 /nfs/dbraw/zinc/65/32/65/601653265.db2.gz RBKYWLBURHHWJV-SCLBCKFNSA-N -1 3 358.825 3.794 20 30 FHEDHM C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823647820 604225636 /nfs/dbraw/zinc/22/56/36/604225636.db2.gz OGNXFLRASVHGNQ-JDFRZJQESA-N -1 3 363.373 3.649 20 30 FHEDHM C[C@@H](C#N)Oc1ccc(CNCc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000823648573 604412913 /nfs/dbraw/zinc/41/29/13/604412913.db2.gz USEKVRURPGIKDT-GJZGRUSLSA-N -1 3 353.422 3.596 20 30 FHEDHM CC(C)CN(Cc1cccc(C(=O)[O-])c1C#N)C[C@@H](O)c1ccc(F)cc1 ZINC000833489881 604609958 /nfs/dbraw/zinc/60/99/58/604609958.db2.gz WLSMHYUOAPPCHE-HXUWFJFHSA-N -1 3 370.424 3.587 20 30 FHEDHM CC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000827515093 605188575 /nfs/dbraw/zinc/18/85/75/605188575.db2.gz XLTVZOJHOVIPOZ-RYUDHWBXSA-N -1 3 363.826 3.686 20 30 FHEDHM Cc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000822198904 606049386 /nfs/dbraw/zinc/04/93/86/606049386.db2.gz NNSYZUMGDMVHFV-SOFGYWHQSA-N -1 3 369.222 3.834 20 30 FHEDHM Cc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000822198904 606049391 /nfs/dbraw/zinc/04/93/91/606049391.db2.gz NNSYZUMGDMVHFV-SOFGYWHQSA-N -1 3 369.222 3.834 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1Br ZINC000822198617 606050395 /nfs/dbraw/zinc/05/03/95/606050395.db2.gz CJKRLUQRMQJROC-YCRREMRBSA-N -1 3 369.222 3.834 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000822198617 606050401 /nfs/dbraw/zinc/05/04/01/606050401.db2.gz CJKRLUQRMQJROC-YCRREMRBSA-N -1 3 369.222 3.834 20 30 FHEDHM C=CC[C@@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819734483 606275578 /nfs/dbraw/zinc/27/55/78/606275578.db2.gz PBYMURXXXMZNIW-CYBMUJFWSA-N -1 3 365.462 3.712 20 30 FHEDHM C=CC[C@@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819734483 606275579 /nfs/dbraw/zinc/27/55/79/606275579.db2.gz PBYMURXXXMZNIW-CYBMUJFWSA-N -1 3 365.462 3.712 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823503024 606392788 /nfs/dbraw/zinc/39/27/88/606392788.db2.gz AHYDYMXZWSWXRS-VQHVLOKHSA-N -1 3 358.810 3.630 20 30 FHEDHM N#Cc1ccccc1CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822842597 606599345 /nfs/dbraw/zinc/59/93/45/606599345.db2.gz PQKSRCJVPLOTCO-UHFFFAOYSA-N -1 3 373.388 3.773 20 30 FHEDHM N#Cc1ccccc1CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822842597 606599346 /nfs/dbraw/zinc/59/93/46/606599346.db2.gz PQKSRCJVPLOTCO-UHFFFAOYSA-N -1 3 373.388 3.773 20 30 FHEDHM O=c1[nH]c2ccccc2cc1C=Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823731858 606661726 /nfs/dbraw/zinc/66/17/26/606661726.db2.gz GADZZMLLEYEQON-UHFFFAOYSA-N -1 3 350.769 3.525 20 30 FHEDHM O=c1[nH]c2ccccc2cc1C=Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823731858 606661727 /nfs/dbraw/zinc/66/17/27/606661727.db2.gz GADZZMLLEYEQON-UHFFFAOYSA-N -1 3 350.769 3.525 20 30 FHEDHM C=C[C@@H](C)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000819729269 606813884 /nfs/dbraw/zinc/81/38/84/606813884.db2.gz FXNXLZFAZLXUAH-LLVKDONJSA-N -1 3 369.812 3.617 20 30 FHEDHM C=C[C@@H](C)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000819729269 606813886 /nfs/dbraw/zinc/81/38/86/606813886.db2.gz FXNXLZFAZLXUAH-LLVKDONJSA-N -1 3 369.812 3.617 20 30 FHEDHM C=C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000819730350 606832937 /nfs/dbraw/zinc/83/29/37/606832937.db2.gz WYGPSLKLVSCYHQ-CYBMUJFWSA-N -1 3 364.409 3.663 20 30 FHEDHM C=C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000819730350 606832939 /nfs/dbraw/zinc/83/29/39/606832939.db2.gz WYGPSLKLVSCYHQ-CYBMUJFWSA-N -1 3 364.409 3.663 20 30 FHEDHM N#Cc1ccc(CSCCCOc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822825631 606841887 /nfs/dbraw/zinc/84/18/87/606841887.db2.gz JFMMOINZXZPHMA-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM N#Cc1ccc(CSCCCOc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822825631 606841889 /nfs/dbraw/zinc/84/18/89/606841889.db2.gz JFMMOINZXZPHMA-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1F ZINC000822928019 607123056 /nfs/dbraw/zinc/12/30/56/607123056.db2.gz CREDDOICQLFXQX-DAXSKMNVSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1F ZINC000822928019 607123057 /nfs/dbraw/zinc/12/30/57/607123057.db2.gz CREDDOICQLFXQX-DAXSKMNVSA-N -1 3 373.185 3.664 20 30 FHEDHM CC(C)(C#N)c1ccccc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819891989 607132223 /nfs/dbraw/zinc/13/22/23/607132223.db2.gz OUTNSJIYCVTGPR-UHFFFAOYSA-N -1 3 369.432 3.580 20 30 FHEDHM CC(C)(C#N)c1ccccc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819891989 607132225 /nfs/dbraw/zinc/13/22/25/607132225.db2.gz OUTNSJIYCVTGPR-UHFFFAOYSA-N -1 3 369.432 3.580 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826400966 607843122 /nfs/dbraw/zinc/84/31/22/607843122.db2.gz MABGLPIADXFQLN-LREOWRDNSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826400966 607843123 /nfs/dbraw/zinc/84/31/23/607843123.db2.gz MABGLPIADXFQLN-LREOWRDNSA-N -1 3 360.295 3.503 20 30 FHEDHM COc1ccc2cc(C(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc2c1 ZINC000826212885 607883333 /nfs/dbraw/zinc/88/33/33/607883333.db2.gz DMSXRZWXQQALSX-LUAWRHEFSA-N -1 3 356.385 3.925 20 30 FHEDHM COc1ccc2cc(C(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc2c1 ZINC000826212885 607883334 /nfs/dbraw/zinc/88/33/34/607883334.db2.gz DMSXRZWXQQALSX-LUAWRHEFSA-N -1 3 356.385 3.925 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1nc(-c2ccccc2)cs1 ZINC000826401719 607884742 /nfs/dbraw/zinc/88/47/42/607884742.db2.gz FPPHQRXFFGKWRO-ZHACJKMWSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1nc(-c2ccccc2)cs1 ZINC000826401719 607884743 /nfs/dbraw/zinc/88/47/43/607884743.db2.gz FPPHQRXFFGKWRO-ZHACJKMWSA-N -1 3 359.414 3.886 20 30 FHEDHM Cc1oc2ccccc2c1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000826342757 607982062 /nfs/dbraw/zinc/98/20/62/607982062.db2.gz YMJQUFJEFORZIZ-MDZDMXLPSA-N -1 3 373.416 3.874 20 30 FHEDHM Cc1oc2ccccc2c1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000826342757 607982063 /nfs/dbraw/zinc/98/20/63/607982063.db2.gz YMJQUFJEFORZIZ-MDZDMXLPSA-N -1 3 373.416 3.874 20 30 FHEDHM C[C@H](Nc1ccc(C#N)cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000824656501 608047856 /nfs/dbraw/zinc/04/78/56/608047856.db2.gz KYVGVHGXBGNCSP-JTQLQIEISA-N -1 3 369.226 3.674 20 30 FHEDHM C[C@H](Nc1ccc(C#N)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000824656501 608047857 /nfs/dbraw/zinc/04/78/57/608047857.db2.gz KYVGVHGXBGNCSP-JTQLQIEISA-N -1 3 369.226 3.674 20 30 FHEDHM CC(=NNc1ccnc2cc(Cl)ccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823962518 608091593 /nfs/dbraw/zinc/09/15/93/608091593.db2.gz KVXRWNPXCPFTAT-UHFFFAOYSA-N -1 3 369.841 3.966 20 30 FHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1cccc(-c2nnn[n-]2)c1)CC3 ZINC000826212423 608228796 /nfs/dbraw/zinc/22/87/96/608228796.db2.gz PKLGLZYKZIXVIS-UKTHLTGXSA-N -1 3 371.400 3.569 20 30 FHEDHM COc1ccc2[nH]c3c(c2c1)C(=O)C(=Cc1cccc(-c2nn[n-]n2)c1)CC3 ZINC000826212423 608228797 /nfs/dbraw/zinc/22/87/97/608228797.db2.gz PKLGLZYKZIXVIS-UKTHLTGXSA-N -1 3 371.400 3.569 20 30 FHEDHM C#CCCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823838186 608300554 /nfs/dbraw/zinc/30/05/54/608300554.db2.gz LFNWGTHAVOLDGE-UHFFFAOYSA-N -1 3 361.405 3.791 20 30 FHEDHM C#CCCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823838186 608300556 /nfs/dbraw/zinc/30/05/56/608300556.db2.gz LFNWGTHAVOLDGE-UHFFFAOYSA-N -1 3 361.405 3.791 20 30 FHEDHM CCCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825338550 608876184 /nfs/dbraw/zinc/87/61/84/608876184.db2.gz CIEQYRHFDILQCD-ONNFQVAWSA-N -1 3 352.369 3.691 20 30 FHEDHM CCCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825338550 608876186 /nfs/dbraw/zinc/87/61/86/608876186.db2.gz CIEQYRHFDILQCD-ONNFQVAWSA-N -1 3 352.369 3.691 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(-c2ccncc2)c1 ZINC000826400971 608881279 /nfs/dbraw/zinc/88/12/79/608881279.db2.gz MDESATUNIYTDNK-FNORWQNLSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(-c2ccncc2)c1 ZINC000826400971 608881282 /nfs/dbraw/zinc/88/12/82/608881282.db2.gz MDESATUNIYTDNK-FNORWQNLSA-N -1 3 371.375 3.964 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(Cl)c1 ZINC000826191174 609134265 /nfs/dbraw/zinc/13/42/65/609134265.db2.gz ZACLKYBAUJKGPW-QPJJXVBHSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(Cl)c1 ZINC000826191174 609134267 /nfs/dbraw/zinc/13/42/67/609134267.db2.gz ZACLKYBAUJKGPW-QPJJXVBHSA-N -1 3 358.760 3.564 20 30 FHEDHM CC(=NNc1nc2ccccc2cc1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962164 609160657 /nfs/dbraw/zinc/16/06/57/609160657.db2.gz GWIDWBDEDOSLAL-UHFFFAOYSA-N -1 3 361.384 3.699 20 30 FHEDHM O=C(C=Cc1cc2cc(F)ccc2o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400359 609270564 /nfs/dbraw/zinc/27/05/64/609270564.db2.gz WRZSJCXFMKCDRD-HWKANZROSA-N -1 3 352.300 3.787 20 30 FHEDHM O=C(C=Cc1cc2cc(F)ccc2o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400359 609270565 /nfs/dbraw/zinc/27/05/65/609270565.db2.gz WRZSJCXFMKCDRD-HWKANZROSA-N -1 3 352.300 3.787 20 30 FHEDHM O=C(C=Cc1ccccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401897 609271085 /nfs/dbraw/zinc/27/10/85/609271085.db2.gz JCHDDLXOVGYSPL-VURMDHGXSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401897 609271086 /nfs/dbraw/zinc/27/10/86/609271086.db2.gz JCHDDLXOVGYSPL-VURMDHGXSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475443 609369445 /nfs/dbraw/zinc/36/94/45/609369445.db2.gz GHZOSNHTBHZTLH-FMIVXFBMSA-N -1 3 359.364 3.700 20 30 FHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475443 609369446 /nfs/dbraw/zinc/36/94/46/609369446.db2.gz GHZOSNHTBHZTLH-FMIVXFBMSA-N -1 3 359.364 3.700 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(C)nn(C(C)C)c1C ZINC000823958116 609469842 /nfs/dbraw/zinc/46/98/42/609469842.db2.gz CPFLUXYOFPATPM-UHFFFAOYSA-N -1 3 372.864 3.750 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(C)nn(C(C)C)c1C ZINC000823958116 609469844 /nfs/dbraw/zinc/46/98/44/609469844.db2.gz CPFLUXYOFPATPM-UHFFFAOYSA-N -1 3 372.864 3.750 20 30 FHEDHM C#CCCCCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823841432 609598750 /nfs/dbraw/zinc/59/87/50/609598750.db2.gz NHNNNIVIONVORG-UHFFFAOYSA-N -1 3 366.450 3.512 20 30 FHEDHM C#CCCCCCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823841432 609598753 /nfs/dbraw/zinc/59/87/53/609598753.db2.gz NHNNNIVIONVORG-UHFFFAOYSA-N -1 3 366.450 3.512 20 30 FHEDHM COc1ccc(-c2ncc(C([O-])=C(C#N)c3ccccn3)s2)cc1OC ZINC000581171034 931638368 /nfs/dbraw/zinc/63/83/68/931638368.db2.gz JPFNCDIXIAJDHX-CYBMUJFWSA-N -1 3 365.414 3.712 20 30 FHEDHM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000135363124 933107349 /nfs/dbraw/zinc/10/73/49/933107349.db2.gz BHAFWSDWDCEKHY-UHFFFAOYSA-N -1 3 369.215 3.569 20 30 FHEDHM C=CCOc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)c1 ZINC000277232767 934823159 /nfs/dbraw/zinc/82/31/59/934823159.db2.gz IQBMXORFYHKHAH-SFHVURJKSA-N -1 3 371.433 3.574 20 30 FHEDHM N#CCCN(C(=O)c1cc([O-])c2ccccc2c1)c1ccc2c(c1)OCCO2 ZINC000472020663 934841248 /nfs/dbraw/zinc/84/12/48/934841248.db2.gz GEWTXGGQPMUDNT-UHFFFAOYSA-N -1 3 374.396 3.877 20 30 FHEDHM COc1ccc(C/N=C\c2c([O-])c(C)ncc2CO)cc1OC1CCCC1 ZINC000728438317 934891562 /nfs/dbraw/zinc/89/15/62/934891562.db2.gz UEJYQPVTHVLXJP-UUYOSTAYSA-N -1 3 370.449 3.537 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(-c2ccncc2)c1 ZINC000737796406 945126052 /nfs/dbraw/zinc/12/60/52/945126052.db2.gz OFQPNIDMPISITO-RMKNXTFCSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2ccncc2)c1 ZINC000737796406 945126058 /nfs/dbraw/zinc/12/60/58/945126058.db2.gz OFQPNIDMPISITO-RMKNXTFCSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccccc2)cs1 ZINC000737796472 945128078 /nfs/dbraw/zinc/12/80/78/945128078.db2.gz OZGRZBVHZWWVCH-DHZHZOJOSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)cs1 ZINC000737796472 945128082 /nfs/dbraw/zinc/12/80/82/945128082.db2.gz OZGRZBVHZWWVCH-DHZHZOJOSA-N -1 3 359.414 3.886 20 30 FHEDHM N#C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C1CCCCC1 ZINC000115184489 935879483 /nfs/dbraw/zinc/87/94/83/935879483.db2.gz BQONIMCEXNKRJV-INIZCTEOSA-N -1 3 365.462 3.673 20 30 FHEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000509579567 945133930 /nfs/dbraw/zinc/13/39/30/945133930.db2.gz VFRZTEAWNFKXNO-ZDUSSCGKSA-N -1 3 356.307 3.981 20 30 FHEDHM COc1ccccc1[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])N1CCCC1 ZINC000255577084 938361100 /nfs/dbraw/zinc/36/11/00/938361100.db2.gz JIZOYBXLCANZMU-PKIWBCANSA-N -1 3 369.421 3.565 20 30 FHEDHM N#Cc1ccc(N2CCC(C(=O)Nc3c([O-])cccc3Cl)CC2)c(F)c1 ZINC000583881896 938465302 /nfs/dbraw/zinc/46/53/02/938465302.db2.gz OAEWAMNMKVGTNS-UHFFFAOYSA-N -1 3 373.815 3.911 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC(C)C)CCC(C)C ZINC000052818214 938609243 /nfs/dbraw/zinc/60/92/43/938609243.db2.gz YJRUHBRBKRHKEU-UHFFFAOYSA-N -1 3 359.514 3.717 20 30 FHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000070431989 938952364 /nfs/dbraw/zinc/95/23/64/938952364.db2.gz SEZVVPHSVGJZAL-UHFFFAOYSA-N -1 3 369.215 3.569 20 30 FHEDHM CS(=O)(=O)Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1Cl ZINC000255674987 939082370 /nfs/dbraw/zinc/08/23/70/939082370.db2.gz VGXKPACDCWOYHI-UHFFFAOYSA-N -1 3 359.234 3.821 20 30 FHEDHM C[C@]1(C#N)CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000612166722 939170567 /nfs/dbraw/zinc/17/05/67/939170567.db2.gz YPZKINZFSFPMMK-GOSISDBHSA-N -1 3 354.435 3.783 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(C1)CCC(C)CC2 ZINC000365300242 940117216 /nfs/dbraw/zinc/11/72/16/940117216.db2.gz YKCQSENUQJDZRR-UHFFFAOYSA-N -1 3 355.482 3.637 20 30 FHEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000066396577 940477769 /nfs/dbraw/zinc/47/77/69/940477769.db2.gz MEKVTLUAQYMWPA-IBGZPJMESA-N -1 3 359.429 3.820 20 30 FHEDHM COc1cc(C)c(Br)cc1N=Cc1ccc(O)c([O-])c1O ZINC000588467474 941310537 /nfs/dbraw/zinc/31/05/37/941310537.db2.gz LMPIZPPPPXJRON-UHFFFAOYSA-N -1 3 352.184 3.634 20 30 FHEDHM Cc1ccccc1CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CC1 ZINC000513504726 941967958 /nfs/dbraw/zinc/96/79/58/941967958.db2.gz FENTZWMIFIGCIR-UHFFFAOYSA-N -1 3 363.461 3.708 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NC=C1c2ccccc2C(=O)[N-]C1=O ZINC000066813712 942735941 /nfs/dbraw/zinc/73/59/41/942735941.db2.gz IIWGTSDWYHSDDG-HKJJFUAXSA-N -1 3 363.442 3.804 20 30 FHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)ccc1C#N ZINC000435720422 943579515 /nfs/dbraw/zinc/57/95/15/943579515.db2.gz YCDZARTUHRJISG-UHFFFAOYSA-N -1 3 372.837 3.507 20 30 FHEDHM C=C[C@H](CCC(=O)[O-])NCc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000417604512 943745840 /nfs/dbraw/zinc/74/58/40/943745840.db2.gz BTNDLQNLDIMWPW-QGZVFWFLSA-N -1 3 355.482 3.987 20 30 FHEDHM Cc1cc(C(C#N)=C([O-])c2cn(CCCC#N)c3ccccc23)nc(C)n1 ZINC000516906677 943804854 /nfs/dbraw/zinc/80/48/54/943804854.db2.gz KVIWXPLRZXGBJC-QGZVFWFLSA-N -1 3 357.417 3.842 20 30 FHEDHM C=C(CNC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000500182396 944220238 /nfs/dbraw/zinc/22/02/38/944220238.db2.gz LFXXFPXKVXRLFS-UHFFFAOYSA-N -1 3 361.239 3.667 20 30 FHEDHM Cc1nsc([N-]C(=O)c2ccc(COc3ccc(F)cc3)o2)c1C#N ZINC000439293196 944511655 /nfs/dbraw/zinc/51/16/55/944511655.db2.gz CKIXTXJUUDOCST-UHFFFAOYSA-N -1 3 357.366 3.887 20 30 FHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3nc(C)cc3C)c(F)c2)n1 ZINC000112222382 944550518 /nfs/dbraw/zinc/55/05/18/944550518.db2.gz ZZODJXOMTSCBAT-AWEZNQCLSA-N -1 3 354.410 3.883 20 30 FHEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000426728837 944737118 /nfs/dbraw/zinc/73/71/18/944737118.db2.gz XVESLILOQHTSCR-GOSISDBHSA-N -1 3 361.825 3.829 20 30 FHEDHM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)co2)cc1 ZINC000822213961 945998230 /nfs/dbraw/zinc/99/82/30/945998230.db2.gz JDPULKGPALIIJC-KHPPLWFESA-N -1 3 357.373 3.726 20 30 FHEDHM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)co2)cc1 ZINC000822213961 945998237 /nfs/dbraw/zinc/99/82/37/945998237.db2.gz JDPULKGPALIIJC-KHPPLWFESA-N -1 3 357.373 3.726 20 30 FHEDHM C#CCC(C)(C)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001573279299 946637839 /nfs/dbraw/zinc/63/78/39/946637839.db2.gz FEXRDYFYRYKZAM-UHFFFAOYSA-N -1 3 361.405 3.647 20 30 FHEDHM C#CCC(C)(C)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001573279299 946637844 /nfs/dbraw/zinc/63/78/44/946637844.db2.gz FEXRDYFYRYKZAM-UHFFFAOYSA-N -1 3 361.405 3.647 20 30 FHEDHM C=C[C@@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccccc1 ZINC000536269846 946691778 /nfs/dbraw/zinc/69/17/78/946691778.db2.gz OIMJHMCSYZCJDB-AWEZNQCLSA-N -1 3 362.389 3.705 20 30 FHEDHM C[C@H](Nc1ccc(C#N)nc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824657528 946886206 /nfs/dbraw/zinc/88/62/06/946886206.db2.gz QTLLGTWWNJRWLM-AWEZNQCLSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@H](Nc1ccc(C#N)nc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824657528 946886221 /nfs/dbraw/zinc/88/62/21/946886221.db2.gz QTLLGTWWNJRWLM-AWEZNQCLSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@H](Nc1ccc(C#N)cn1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824655125 946886843 /nfs/dbraw/zinc/88/68/43/946886843.db2.gz BJRAKIKYCXQTNY-AWEZNQCLSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@H](Nc1ccc(C#N)cn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824655125 946886855 /nfs/dbraw/zinc/88/68/55/946886855.db2.gz BJRAKIKYCXQTNY-AWEZNQCLSA-N -1 3 367.416 3.973 20 30 FHEDHM C=C[C@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC001573316053 947267061 /nfs/dbraw/zinc/26/70/61/947267061.db2.gz FXSKADJYHZKIGU-CYBMUJFWSA-N -1 3 367.840 3.843 20 30 FHEDHM C=C[C@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC001573316053 947267073 /nfs/dbraw/zinc/26/70/73/947267073.db2.gz FXSKADJYHZKIGU-CYBMUJFWSA-N -1 3 367.840 3.843 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1CCC ZINC001573340846 947522334 /nfs/dbraw/zinc/52/23/34/947522334.db2.gz BONLWSZUWWCQEV-UHFFFAOYSA-N -1 3 361.449 3.648 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1CCC ZINC001573340846 947522342 /nfs/dbraw/zinc/52/23/42/947522342.db2.gz BONLWSZUWWCQEV-UHFFFAOYSA-N -1 3 361.449 3.648 20 30 FHEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1SC ZINC000826178666 947553719 /nfs/dbraw/zinc/55/37/19/947553719.db2.gz HILIWHZKOLLDIK-CLTKARDFSA-N -1 3 370.409 3.632 20 30 FHEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1SC ZINC000826178666 947553723 /nfs/dbraw/zinc/55/37/23/947553723.db2.gz HILIWHZKOLLDIK-CLTKARDFSA-N -1 3 370.409 3.632 20 30 FHEDHM COc1ccc(-c2nnn[n-]2)cc1CSc1cccc(Cl)c1C#N ZINC000826184723 947566691 /nfs/dbraw/zinc/56/66/91/947566691.db2.gz IOQLHPCVIGMWIJ-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1ccc(-c2nn[n-]n2)cc1CSc1cccc(Cl)c1C#N ZINC000826184723 947566695 /nfs/dbraw/zinc/56/66/95/947566695.db2.gz IOQLHPCVIGMWIJ-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000826401553 948222074 /nfs/dbraw/zinc/22/20/74/948222074.db2.gz BKOIMCIGFHKLFT-YFHOEESVSA-N -1 3 360.295 3.661 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000826401553 948222079 /nfs/dbraw/zinc/22/20/79/948222079.db2.gz BKOIMCIGFHKLFT-YFHOEESVSA-N -1 3 360.295 3.661 20 30 FHEDHM N#CC(=C([O-])C=Cc1cncc(F)c1)c1nc2ccccc2n1C(F)F ZINC000178988133 948436104 /nfs/dbraw/zinc/43/61/04/948436104.db2.gz SYIPCQACFTUPFV-GFUIURDCSA-N -1 3 356.307 3.855 20 30 FHEDHM N#C[C@H](Cc1ccccc1)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000603549029 568118166 /nfs/dbraw/zinc/11/81/66/568118166.db2.gz QXXDPFMROOEQKM-INIZCTEOSA-N -1 3 373.441 3.748 20 30 FHEDHM Cc1nc(NC(=O)c2c[n-]nc2-c2ccccc2)sc1SCC#N ZINC000603908783 568178345 /nfs/dbraw/zinc/17/83/45/568178345.db2.gz WTPFVDHZIYJOBX-UHFFFAOYSA-N -1 3 355.448 3.710 20 30 FHEDHM Cc1nc(NC(=O)c2cn[n-]c2-c2ccccc2)sc1SCC#N ZINC000603908783 568178346 /nfs/dbraw/zinc/17/83/46/568178346.db2.gz WTPFVDHZIYJOBX-UHFFFAOYSA-N -1 3 355.448 3.710 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CC)CC1CCCC1 ZINC000735418970 598903910 /nfs/dbraw/zinc/90/39/10/598903910.db2.gz NDBAGZPBRKTJPJ-SFHVURJKSA-N -1 3 367.497 3.988 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CC)CC1CCCC1 ZINC000735418970 598903912 /nfs/dbraw/zinc/90/39/12/598903912.db2.gz NDBAGZPBRKTJPJ-SFHVURJKSA-N -1 3 367.497 3.988 20 30 FHEDHM CC1(C)Cc2cccc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)c2O1 ZINC000820607139 599112902 /nfs/dbraw/zinc/11/29/02/599112902.db2.gz JMMXDBYANHJYEQ-KAMYIIQDSA-N -1 3 372.428 3.793 20 30 FHEDHM CC1(C)Cc2cccc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)c2O1 ZINC000820607139 599112905 /nfs/dbraw/zinc/11/29/05/599112905.db2.gz JMMXDBYANHJYEQ-KAMYIIQDSA-N -1 3 372.428 3.793 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1-c1nnn[n-]1 ZINC000737080639 599153402 /nfs/dbraw/zinc/15/34/02/599153402.db2.gz FKKVBNLPCSYSJJ-UXBLZVDNSA-N -1 3 360.417 3.650 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1-c1nn[n-]n1 ZINC000737080639 599153405 /nfs/dbraw/zinc/15/34/05/599153405.db2.gz FKKVBNLPCSYSJJ-UXBLZVDNSA-N -1 3 360.417 3.650 20 30 FHEDHM N#Cc1cc(NC(=O)CCCCCc2cccs2)ccc1-c1nnn[n-]1 ZINC000737703491 599195980 /nfs/dbraw/zinc/19/59/80/599195980.db2.gz BWSIINSYWMGEAE-UHFFFAOYSA-N -1 3 366.450 3.541 20 30 FHEDHM N#Cc1cc(NC(=O)CCCCCc2cccs2)ccc1-c1nn[n-]n1 ZINC000737703491 599195981 /nfs/dbraw/zinc/19/59/81/599195981.db2.gz BWSIINSYWMGEAE-UHFFFAOYSA-N -1 3 366.450 3.541 20 30 FHEDHM CC(C)[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000735706685 599198802 /nfs/dbraw/zinc/19/88/02/599198802.db2.gz CMSJGMAAEDBCJA-GOSISDBHSA-N -1 3 360.421 3.507 20 30 FHEDHM CC(C)[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000735706685 599198806 /nfs/dbraw/zinc/19/88/06/599198806.db2.gz CMSJGMAAEDBCJA-GOSISDBHSA-N -1 3 360.421 3.507 20 30 FHEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735409348 599217902 /nfs/dbraw/zinc/21/79/02/599217902.db2.gz CWFNMDFYDAURFH-CYBMUJFWSA-N -1 3 364.409 3.745 20 30 FHEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735409348 599217903 /nfs/dbraw/zinc/21/79/03/599217903.db2.gz CWFNMDFYDAURFH-CYBMUJFWSA-N -1 3 364.409 3.745 20 30 FHEDHM Fc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(F)c1 ZINC000737651186 598315988 /nfs/dbraw/zinc/31/59/88/598315988.db2.gz RSXNYEHXISFZRD-UHFFFAOYSA-N -1 3 368.269 3.610 20 30 FHEDHM Fc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(F)c1 ZINC000737651186 598315990 /nfs/dbraw/zinc/31/59/90/598315990.db2.gz RSXNYEHXISFZRD-UHFFFAOYSA-N -1 3 368.269 3.610 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC000735973325 598557608 /nfs/dbraw/zinc/55/76/08/598557608.db2.gz FZSNIQSXFFSAJJ-ZDUSSCGKSA-N -1 3 350.451 3.873 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC000735973325 598557609 /nfs/dbraw/zinc/55/76/09/598557609.db2.gz FZSNIQSXFFSAJJ-ZDUSSCGKSA-N -1 3 350.451 3.873 20 30 FHEDHM CC(=NNc1ccc(Br)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451003 598641424 /nfs/dbraw/zinc/64/14/24/598641424.db2.gz MIZSRONKLAIBHV-UHFFFAOYSA-N -1 3 371.242 3.774 20 30 FHEDHM CC(=NNc1ccc(Br)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735451003 598641422 /nfs/dbraw/zinc/64/14/22/598641422.db2.gz MIZSRONKLAIBHV-UHFFFAOYSA-N -1 3 371.242 3.774 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C(CC)c1ccccc1 ZINC000735419013 598735724 /nfs/dbraw/zinc/73/57/24/598735724.db2.gz OMVLTFSZCLEAQP-SDXDJHTJSA-N -1 3 373.460 3.875 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C(CC)c1ccccc1 ZINC000735419013 598735726 /nfs/dbraw/zinc/73/57/26/598735726.db2.gz OMVLTFSZCLEAQP-SDXDJHTJSA-N -1 3 373.460 3.875 20 30 FHEDHM Cc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)ccc1Oc1cccnc1 ZINC000737264359 598761886 /nfs/dbraw/zinc/76/18/86/598761886.db2.gz ZPNRJJKGBIDFEV-UHFFFAOYSA-N -1 3 371.404 3.808 20 30 FHEDHM Cc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)ccc1Oc1cccnc1 ZINC000737264359 598761887 /nfs/dbraw/zinc/76/18/87/598761887.db2.gz ZPNRJJKGBIDFEV-UHFFFAOYSA-N -1 3 371.404 3.808 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3)c(C)c2c1 ZINC000737119539 598787812 /nfs/dbraw/zinc/78/78/12/598787812.db2.gz DPTCTDOYRMGZGB-UITAMQMPSA-N -1 3 360.373 3.826 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3)c(C)c2c1 ZINC000737119539 598787814 /nfs/dbraw/zinc/78/78/14/598787814.db2.gz DPTCTDOYRMGZGB-UITAMQMPSA-N -1 3 360.373 3.826 20 30 FHEDHM COc1ccc2oc(C(C)=NNc3cccc(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000737121145 598788069 /nfs/dbraw/zinc/78/80/69/598788069.db2.gz WGCVEWWMJGSZLK-UHFFFAOYSA-N -1 3 362.393 3.766 20 30 FHEDHM COc1ccc2oc(C(C)=NNc3cccc(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000737121145 598788071 /nfs/dbraw/zinc/78/80/71/598788071.db2.gz WGCVEWWMJGSZLK-UHFFFAOYSA-N -1 3 362.393 3.766 20 30 FHEDHM COc1ccc(C#N)cc1CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821770480 607367966 /nfs/dbraw/zinc/36/79/66/607367966.db2.gz VBIHMLMJTGKOED-LBPRGKRZSA-N -1 3 351.435 3.741 20 30 FHEDHM COc1ccc(C#N)cc1CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821770480 607367967 /nfs/dbraw/zinc/36/79/67/607367967.db2.gz VBIHMLMJTGKOED-LBPRGKRZSA-N -1 3 351.435 3.741 20 30 FHEDHM C[C@@H](SCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736187914 599325917 /nfs/dbraw/zinc/32/59/17/599325917.db2.gz DBNKTSHGCUJJSU-CYBMUJFWSA-N -1 3 351.435 3.612 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000822923018 599691571 /nfs/dbraw/zinc/69/15/71/599691571.db2.gz MPFZIPKBOBQJGQ-XCVCLJGOSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000822923018 599691572 /nfs/dbraw/zinc/69/15/72/599691572.db2.gz MPFZIPKBOBQJGQ-XCVCLJGOSA-N -1 3 353.385 3.825 20 30 FHEDHM C[C@@H](CN(Cc1ccccc1)Cc1cc(Cl)ccc1OCC#N)C(=O)[O-] ZINC000736581635 600318383 /nfs/dbraw/zinc/31/83/83/600318383.db2.gz BQPAMWJVFMRWTB-HNNXBMFYSA-N -1 3 372.852 3.965 20 30 FHEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1c(Cl)cccc1Cl ZINC000822741585 607465762 /nfs/dbraw/zinc/46/57/62/607465762.db2.gz ZWTCVOXWAPJIQS-UHFFFAOYSA-N -1 3 351.172 3.759 20 30 FHEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1c(Cl)cccc1Cl ZINC000822741585 607465764 /nfs/dbraw/zinc/46/57/64/607465764.db2.gz ZWTCVOXWAPJIQS-UHFFFAOYSA-N -1 3 351.172 3.759 20 30 FHEDHM Cc1nc(-c2ccc(CN[C@H](C(=O)[O-])c3cccc(C#N)c3)s2)cs1 ZINC000832991172 601298646 /nfs/dbraw/zinc/29/86/46/601298646.db2.gz OGWSFISXMQIZJB-KRWDZBQOSA-N -1 3 369.471 3.967 20 30 FHEDHM CCC[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000739299718 602670425 /nfs/dbraw/zinc/67/04/25/602670425.db2.gz AOVGZSMZFKFJBT-ZIAGYGMSSA-N -1 3 357.435 3.731 20 30 FHEDHM N#CC(C(=O)CCC1CCN(C(=O)[O-])CC1)c1ccc2ccccc2n1 ZINC000833959617 606084244 /nfs/dbraw/zinc/08/42/44/606084244.db2.gz AVPHSHZLTYSDOZ-INIZCTEOSA-N -1 3 351.406 3.581 20 30 FHEDHM C[C@@H](CN=Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000820219078 606165457 /nfs/dbraw/zinc/16/54/57/606165457.db2.gz CHGCMRHUEIJWQD-NSHDSACASA-N -1 3 371.242 3.831 20 30 FHEDHM C[C@@H](CN=Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000820219078 606165458 /nfs/dbraw/zinc/16/54/58/606165458.db2.gz CHGCMRHUEIJWQD-NSHDSACASA-N -1 3 371.242 3.831 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)c(C)c2c1 ZINC000821854707 606305894 /nfs/dbraw/zinc/30/58/94/606305894.db2.gz SGHZZOPNDQXQLK-SNAWJCMRSA-N -1 3 366.402 3.888 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)c(C)c2c1 ZINC000821854707 606305896 /nfs/dbraw/zinc/30/58/96/606305896.db2.gz SGHZZOPNDQXQLK-SNAWJCMRSA-N -1 3 366.402 3.888 20 30 FHEDHM C(=NN(Cc1ccccc1)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000819718210 606366966 /nfs/dbraw/zinc/36/69/66/606366966.db2.gz AQVUHBBIIRYKEP-UHFFFAOYSA-N -1 3 360.446 3.969 20 30 FHEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c2ccccc12 ZINC000821769486 606388715 /nfs/dbraw/zinc/38/87/15/606388715.db2.gz IBBBALRNJDANLU-RMKNXTFCSA-N -1 3 362.414 3.986 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)c(C)c2c1 ZINC000821853842 606390242 /nfs/dbraw/zinc/39/02/42/606390242.db2.gz BPJHHZYYZFYVNN-GQCTYLIASA-N -1 3 366.402 3.888 20 30 FHEDHM CC(C)c1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CO2 ZINC000820192307 606390387 /nfs/dbraw/zinc/39/03/87/606390387.db2.gz IVUJXQSGGNUJRG-KPKJPENVSA-N -1 3 352.419 3.710 20 30 FHEDHM N#Cc1cccnc1Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822842767 606434983 /nfs/dbraw/zinc/43/49/83/606434983.db2.gz XTSRYIOONDGTEK-UHFFFAOYSA-N -1 3 356.345 3.718 20 30 FHEDHM N#Cc1cccc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)c1 ZINC000822837338 606447003 /nfs/dbraw/zinc/44/70/03/606447003.db2.gz KGWHLDHWRJNYCA-UHFFFAOYSA-N -1 3 369.388 3.538 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000820218777 606457926 /nfs/dbraw/zinc/45/79/26/606457926.db2.gz AKOGJYGRXMQQMU-ZDUSSCGKSA-N -1 3 350.451 3.873 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000820218777 606457928 /nfs/dbraw/zinc/45/79/28/606457928.db2.gz AKOGJYGRXMQQMU-ZDUSSCGKSA-N -1 3 350.451 3.873 20 30 FHEDHM N#Cc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2)c(OC(F)F)c1 ZINC000822825748 606599548 /nfs/dbraw/zinc/59/95/48/606599548.db2.gz NUGCZFISFSEZAI-UHFFFAOYSA-N -1 3 373.388 3.773 20 30 FHEDHM N#Cc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)c1 ZINC000822825748 606599550 /nfs/dbraw/zinc/59/95/50/606599550.db2.gz NUGCZFISFSEZAI-UHFFFAOYSA-N -1 3 373.388 3.773 20 30 FHEDHM O=C1C(=Cc2coc(-c3ccccc3)n2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504578 606627339 /nfs/dbraw/zinc/62/73/39/606627339.db2.gz RMOXSJDMNWFFRQ-RVDMUPIBSA-N -1 3 369.384 3.734 20 30 FHEDHM O=C1C(=Cc2coc(-c3ccccc3)n2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504578 606627341 /nfs/dbraw/zinc/62/73/41/606627341.db2.gz RMOXSJDMNWFFRQ-RVDMUPIBSA-N -1 3 369.384 3.734 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819857898 606928971 /nfs/dbraw/zinc/92/89/71/606928971.db2.gz WMDDMRHBDGHXJN-LBPRGKRZSA-N -1 3 368.441 3.870 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819857898 606928973 /nfs/dbraw/zinc/92/89/73/606928973.db2.gz WMDDMRHBDGHXJN-LBPRGKRZSA-N -1 3 368.441 3.870 20 30 FHEDHM C=CCC(CC=C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819734802 607018373 /nfs/dbraw/zinc/01/83/73/607018373.db2.gz UIIJOCBMTVJTEE-UHFFFAOYSA-N -1 3 351.332 3.592 20 30 FHEDHM C=CCC(CC=C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819734802 607018375 /nfs/dbraw/zinc/01/83/75/607018375.db2.gz UIIJOCBMTVJTEE-UHFFFAOYSA-N -1 3 351.332 3.592 20 30 FHEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ccccc2C(C)(C)C#N)n1 ZINC000822193239 607149574 /nfs/dbraw/zinc/14/95/74/607149574.db2.gz PPJZONLCQMPFJG-UHFFFAOYSA-N -1 3 364.478 3.972 20 30 FHEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccccc2C(C)(C)C#N)n1 ZINC000822193239 607149575 /nfs/dbraw/zinc/14/95/75/607149575.db2.gz PPJZONLCQMPFJG-UHFFFAOYSA-N -1 3 364.478 3.972 20 30 FHEDHM Fc1ccc(C(F)(F)F)cc1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826373230 607817067 /nfs/dbraw/zinc/81/70/67/607817067.db2.gz FIGWLCWIRVLOQA-UHFFFAOYSA-N -1 3 356.308 3.532 20 30 FHEDHM Fc1ccc(C(F)(F)F)cc1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826373230 607817068 /nfs/dbraw/zinc/81/70/68/607817068.db2.gz FIGWLCWIRVLOQA-UHFFFAOYSA-N -1 3 356.308 3.532 20 30 FHEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000823958140 607843199 /nfs/dbraw/zinc/84/31/99/607843199.db2.gz DVWDOQQLRMHYHH-UHFFFAOYSA-N -1 3 362.224 3.592 20 30 FHEDHM CCOc1cccc2cc(C(=O)C=Cc3ccccc3-c3nnn[n-]3)oc21 ZINC000825653384 607884281 /nfs/dbraw/zinc/88/42/81/607884281.db2.gz CDIXHGXPDYNHGT-ZHACJKMWSA-N -1 3 360.373 3.908 20 30 FHEDHM CCOc1cccc2cc(C(=O)C=Cc3ccccc3-c3nn[n-]n3)oc21 ZINC000825653384 607884282 /nfs/dbraw/zinc/88/42/82/607884282.db2.gz CDIXHGXPDYNHGT-ZHACJKMWSA-N -1 3 360.373 3.908 20 30 FHEDHM CC(C)c1nc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccn21 ZINC000824358234 608092536 /nfs/dbraw/zinc/09/25/36/608092536.db2.gz CXFRNORGWFNAAP-VOTSOKGWSA-N -1 3 364.434 3.595 20 30 FHEDHM CC(C)c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccn21 ZINC000824358234 608092537 /nfs/dbraw/zinc/09/25/37/608092537.db2.gz CXFRNORGWFNAAP-VOTSOKGWSA-N -1 3 364.434 3.595 20 30 FHEDHM O=C(C=Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401372 608093246 /nfs/dbraw/zinc/09/32/46/608093246.db2.gz WOYAWSRQDCPROP-RMKNXTFCSA-N -1 3 365.462 3.815 20 30 FHEDHM C=CCN(Cc1cnc(C2CCC2)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914669 608632335 /nfs/dbraw/zinc/63/23/35/608632335.db2.gz LNSIGIKQQYBLFW-UHFFFAOYSA-N -1 3 366.494 3.779 20 30 FHEDHM O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400743 609134077 /nfs/dbraw/zinc/13/40/77/609134077.db2.gz GXRVPYNIHUCFKB-QPJJXVBHSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400743 609134078 /nfs/dbraw/zinc/13/40/78/609134078.db2.gz GXRVPYNIHUCFKB-QPJJXVBHSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401854 609134396 /nfs/dbraw/zinc/13/43/96/609134396.db2.gz IDZCAZOWJJIDIP-SOFGYWHQSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401854 609134397 /nfs/dbraw/zinc/13/43/97/609134397.db2.gz IDZCAZOWJJIDIP-SOFGYWHQSA-N -1 3 362.286 3.921 20 30 FHEDHM CC(C)COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824271583 609269479 /nfs/dbraw/zinc/26/94/79/609269479.db2.gz PQHBTUMZPNULAA-BJMVGYQFSA-N -1 3 366.396 3.937 20 30 FHEDHM CC(C)COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824271583 609269481 /nfs/dbraw/zinc/26/94/81/609269481.db2.gz PQHBTUMZPNULAA-BJMVGYQFSA-N -1 3 366.396 3.937 20 30 FHEDHM O=C(C=Cc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402411 609271048 /nfs/dbraw/zinc/27/10/48/609271048.db2.gz SYPBVCFYICFETQ-VURMDHGXSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402411 609271049 /nfs/dbraw/zinc/27/10/49/609271049.db2.gz SYPBVCFYICFETQ-VURMDHGXSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475398 609369534 /nfs/dbraw/zinc/36/95/34/609369534.db2.gz FHUWMSZLTDVDEE-FMIVXFBMSA-N -1 3 359.364 3.700 20 30 FHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475398 609369536 /nfs/dbraw/zinc/36/95/36/609369536.db2.gz FHUWMSZLTDVDEE-FMIVXFBMSA-N -1 3 359.364 3.700 20 30 FHEDHM CO[C@@H](C)c1nc(C)c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)s1 ZINC000429608001 945069086 /nfs/dbraw/zinc/06/90/86/945069086.db2.gz WNMOOGNVBKOMSX-RYUDHWBXSA-N -1 3 354.435 3.834 20 30 FHEDHM CC(C)OCCS(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000176468792 937191177 /nfs/dbraw/zinc/19/11/77/937191177.db2.gz JAFDNXWCTKSYDF-UHFFFAOYSA-N -1 3 360.435 3.517 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000610236018 928876260 /nfs/dbraw/zinc/87/62/60/928876260.db2.gz GUJPRNWUKHIFAC-HXUWFJFHSA-N -1 3 363.461 3.866 20 30 FHEDHM O=C(CSCC(F)(F)F)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000182771324 929324414 /nfs/dbraw/zinc/32/44/14/929324414.db2.gz POLNEJGVLIOPDI-SNVBAGLBSA-N -1 3 367.261 3.980 20 30 FHEDHM N#CC(=C([O-])c1ccnc2ccncc21)c1nc2ccccc2n1C(F)F ZINC000580264084 930416793 /nfs/dbraw/zinc/41/67/93/930416793.db2.gz NUYYQCONUFLHKF-GFCCVEGCSA-N -1 3 363.327 3.865 20 30 FHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)CS3)s1 ZINC000430599022 932035768 /nfs/dbraw/zinc/03/57/68/932035768.db2.gz PJDLHHJENDYBQY-NSHDSACASA-N -1 3 371.487 3.975 20 30 FHEDHM COc1cccc([C@H](C/N=C\c2cc([N+](=O)[O-])ccc2[O-])N2CCCC2)c1 ZINC000255318555 932236299 /nfs/dbraw/zinc/23/62/99/932236299.db2.gz HENBMGXMCHSKJZ-IAFWPLRWSA-N -1 3 369.421 3.565 20 30 FHEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000247647222 934543558 /nfs/dbraw/zinc/54/35/58/934543558.db2.gz KQYOKOROGGCIDK-UHFFFAOYSA-N -1 3 357.295 3.614 20 30 FHEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000247647222 934543561 /nfs/dbraw/zinc/54/35/61/934543561.db2.gz KQYOKOROGGCIDK-UHFFFAOYSA-N -1 3 357.295 3.614 20 30 FHEDHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)NOCCC(F)(F)F ZINC000157946165 935238814 /nfs/dbraw/zinc/23/88/14/935238814.db2.gz JHQQSWYFFRLNHV-VIFPVBQESA-N -1 3 366.208 3.751 20 30 FHEDHM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126600850 945145411 /nfs/dbraw/zinc/14/54/11/945145411.db2.gz BHIKVMOTAIAJBI-GFCCVEGCSA-N -1 3 350.346 3.864 20 30 FHEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000156327374 938249110 /nfs/dbraw/zinc/24/91/10/938249110.db2.gz FSMNRVYUTUTWLD-UWVGGRQHSA-N -1 3 366.792 3.611 20 30 FHEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3ncc(-c4ccccn4)s3)on2)c1 ZINC000584367636 938708381 /nfs/dbraw/zinc/70/83/81/938708381.db2.gz ZNUKYQIVIJVOGL-UHFFFAOYSA-N -1 3 373.397 3.984 20 30 FHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1C#N ZINC000235892815 939014219 /nfs/dbraw/zinc/01/42/19/939014219.db2.gz FZRLMUUPQIUEMT-UHFFFAOYSA-N -1 3 369.215 3.569 20 30 FHEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000177601480 940309783 /nfs/dbraw/zinc/30/97/83/940309783.db2.gz UYIIIZBWSQQBIM-SNVBAGLBSA-N -1 3 352.774 3.510 20 30 FHEDHM COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1OCCCC#N ZINC000414084297 940489288 /nfs/dbraw/zinc/48/92/88/940489288.db2.gz WVAPUQKMPMWNQI-YWEYNIOJSA-N -1 3 351.406 3.921 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000066527649 940615693 /nfs/dbraw/zinc/61/56/93/940615693.db2.gz YRKIYPKTXIYSDN-UHFFFAOYSA-N -1 3 371.868 3.501 20 30 FHEDHM COc1cc(/C=C\C(=O)c2cn(-c3ccccc3)nn2)cc(Cl)c1[O-] ZINC000255893741 940812117 /nfs/dbraw/zinc/81/21/17/940812117.db2.gz OCWOGXZRXGYIPN-FPLPWBNLSA-N -1 3 355.781 3.531 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NC=C1c2ccccc2C(=O)[N-]C1=O ZINC000255913918 941024611 /nfs/dbraw/zinc/02/46/11/941024611.db2.gz IIWGTSDWYHSDDG-WIOAZZGGSA-N -1 3 363.442 3.804 20 30 FHEDHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000414379292 941071747 /nfs/dbraw/zinc/07/17/47/941071747.db2.gz IGHITKZVTGEBAD-UHFFFAOYSA-N -1 3 360.435 3.517 20 30 FHEDHM N#CCSCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179932813 941350331 /nfs/dbraw/zinc/35/03/31/941350331.db2.gz CLDOTGSXRBOEDB-UHFFFAOYSA-N -1 3 355.444 3.864 20 30 FHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3csc(N4CCCCC4)n3)nc21 ZINC000892707107 941385842 /nfs/dbraw/zinc/38/58/42/941385842.db2.gz ZRYALIJEAAOCIE-CYBMUJFWSA-N -1 3 365.462 3.808 20 30 FHEDHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183025295 942069170 /nfs/dbraw/zinc/06/91/70/942069170.db2.gz AKMMUAILXRWZIA-UHFFFAOYSA-N -1 3 357.218 3.674 20 30 FHEDHM Cc1ccc(CC(C)(C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000416069463 942315916 /nfs/dbraw/zinc/31/59/16/942315916.db2.gz VJHQEKRHMOXLQL-UHFFFAOYSA-N -1 3 365.477 3.654 20 30 FHEDHM O=C(CCc1ccccc1Br)Nc1nnc(C(F)(F)F)[n-]1 ZINC000051266545 942322313 /nfs/dbraw/zinc/32/23/13/942322313.db2.gz SDXFVQDKKCLQJL-UHFFFAOYSA-N -1 3 363.137 3.807 20 30 FHEDHM O=C(CCc1ccccc1Br)Nc1nc(C(F)(F)F)n[n-]1 ZINC000051266545 942322318 /nfs/dbraw/zinc/32/23/18/942322318.db2.gz SDXFVQDKKCLQJL-UHFFFAOYSA-N -1 3 363.137 3.807 20 30 FHEDHM Cc1nn(C)c2nc(-c3ccccc3)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000041482687 942400771 /nfs/dbraw/zinc/40/07/71/942400771.db2.gz PWFGUTDIJBPREX-KRWDZBQOSA-N -1 3 367.412 3.829 20 30 FHEDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1C#N ZINC000137274910 942728772 /nfs/dbraw/zinc/72/87/72/942728772.db2.gz LEZXEZNRADWSLL-UHFFFAOYSA-N -1 3 369.215 3.569 20 30 FHEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)CC(F)(F)F ZINC000416589851 942992158 /nfs/dbraw/zinc/99/21/58/942992158.db2.gz GOWPKMBNTKHJSR-SNVBAGLBSA-N -1 3 368.808 3.663 20 30 FHEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)CC(F)(F)F ZINC000416589839 942992412 /nfs/dbraw/zinc/99/24/12/942992412.db2.gz GOWPKMBNTKHJSR-JTQLQIEISA-N -1 3 368.808 3.663 20 30 FHEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000435591789 943507822 /nfs/dbraw/zinc/50/78/22/943507822.db2.gz HDTUXGFYYFQRFJ-SMDDNHRTSA-N -1 3 364.294 3.561 20 30 FHEDHM CCCCCCCCc1nnc([N-]C(=O)c2cc(C(N)=O)cs2)s1 ZINC000120288628 944393877 /nfs/dbraw/zinc/39/38/77/944393877.db2.gz HTFHSKUPPKMBMT-UHFFFAOYSA-N -1 3 366.512 3.854 20 30 FHEDHM N#Cc1cccc(OCCCCC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1 ZINC000518442822 944395807 /nfs/dbraw/zinc/39/58/07/944395807.db2.gz ASHNBFPLNNOSRK-UHFFFAOYSA-N -1 3 360.417 3.558 20 30 FHEDHM CCCCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001280233104 944601636 /nfs/dbraw/zinc/60/16/36/944601636.db2.gz IUCAXDNAXGSRSV-UHFFFAOYSA-N -1 3 372.506 3.603 20 30 FHEDHM COc1cccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1[O-] ZINC000436943041 944829556 /nfs/dbraw/zinc/82/95/56/944829556.db2.gz XPTUBHBWZXFYPD-UHFFFAOYSA-N -1 3 361.357 3.712 20 30 FHEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000506820745 945402658 /nfs/dbraw/zinc/40/26/58/945402658.db2.gz NUVCRYHQRJAXMY-NSHDSACASA-N -1 3 354.781 3.575 20 30 FHEDHM N#Cc1ccccc1Sc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000473639911 945667463 /nfs/dbraw/zinc/66/74/63/945667463.db2.gz QTBICXWUELSXRA-UHFFFAOYSA-N -1 3 361.426 3.740 20 30 FHEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000840711177 945715692 /nfs/dbraw/zinc/71/56/92/945715692.db2.gz WUXCRSNVUIUDGN-ZHEQXWMNSA-N -1 3 361.239 3.889 20 30 FHEDHM N#CC1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCCCC1 ZINC000506846310 945794486 /nfs/dbraw/zinc/79/44/86/945794486.db2.gz IJMCREBYQZVUBE-UHFFFAOYSA-N -1 3 366.792 3.864 20 30 FHEDHM O=C(C/N=C/c1cc(Br)ccc1[O-])Nc1ccc(Cl)cc1 ZINC000066887636 946278981 /nfs/dbraw/zinc/27/89/81/946278981.db2.gz LQIKPASRCKIWNL-QGMBQPNBSA-N -1 3 367.630 3.866 20 30 FHEDHM C#CCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C(C)(C)C)C2 ZINC001573283760 946725176 /nfs/dbraw/zinc/72/51/76/946725176.db2.gz MUIKEMUBRXFMII-LBPRGKRZSA-N -1 3 371.510 3.821 20 30 FHEDHM C#CCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)(C)C)C2 ZINC001573283760 946725183 /nfs/dbraw/zinc/72/51/83/946725183.db2.gz MUIKEMUBRXFMII-LBPRGKRZSA-N -1 3 371.510 3.821 20 30 FHEDHM C=CCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000523287136 947083756 /nfs/dbraw/zinc/08/37/56/947083756.db2.gz LHGDAXZMRYIVSC-UHFFFAOYSA-N -1 3 374.462 3.709 20 30 FHEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000487471490 947156844 /nfs/dbraw/zinc/15/68/44/947156844.db2.gz JFASRANXVKXQLF-SFHVURJKSA-N -1 3 351.406 3.516 20 30 FHEDHM C=CC1(CC(=O)N2CCCc3cc(-c4nnn[n-]4)ccc32)CCCCC1 ZINC001573315491 947250374 /nfs/dbraw/zinc/25/03/74/947250374.db2.gz NFKWENBQHZTYLO-UHFFFAOYSA-N -1 3 351.454 3.673 20 30 FHEDHM C=CC1(CC(=O)N2CCCc3cc(-c4nn[n-]n4)ccc32)CCCCC1 ZINC001573315491 947250383 /nfs/dbraw/zinc/25/03/83/947250383.db2.gz NFKWENBQHZTYLO-UHFFFAOYSA-N -1 3 351.454 3.673 20 30 FHEDHM C=CC1(CC(=O)NCc2ccc(SC)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001573316151 947267903 /nfs/dbraw/zinc/26/79/03/947267903.db2.gz SHKKLWCNRYIWFS-UHFFFAOYSA-N -1 3 371.510 3.731 20 30 FHEDHM C=CC1(CC(=O)NCc2ccc(SC)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001573316151 947267912 /nfs/dbraw/zinc/26/79/12/947267912.db2.gz SHKKLWCNRYIWFS-UHFFFAOYSA-N -1 3 371.510 3.731 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3ccccc3-c3nnn[n-]3)c(C)c2c1 ZINC000826214077 947625289 /nfs/dbraw/zinc/62/52/89/947625289.db2.gz ZDKNZCJTZVNKBR-VQHVLOKHSA-N -1 3 360.373 3.826 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3ccccc3-c3nn[n-]n3)c(C)c2c1 ZINC000826214077 947625296 /nfs/dbraw/zinc/62/52/96/947625296.db2.gz ZDKNZCJTZVNKBR-VQHVLOKHSA-N -1 3 360.373 3.826 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3ccccc3-c3nnn[n-]3)c(C)c2c1 ZINC000826214076 947625369 /nfs/dbraw/zinc/62/53/69/947625369.db2.gz ZDKNZCJTZVNKBR-CLFYSBASSA-N -1 3 360.373 3.826 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3ccccc3-c3nn[n-]n3)c(C)c2c1 ZINC000826214076 947625376 /nfs/dbraw/zinc/62/53/76/947625376.db2.gz ZDKNZCJTZVNKBR-CLFYSBASSA-N -1 3 360.373 3.826 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826323972 947948391 /nfs/dbraw/zinc/94/83/91/947948391.db2.gz ZQRDOTVOOKZOHX-MDZDMXLPSA-N -1 3 353.451 3.825 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826323972 947948397 /nfs/dbraw/zinc/94/83/97/947948397.db2.gz ZQRDOTVOOKZOHX-MDZDMXLPSA-N -1 3 353.451 3.825 20 30 FHEDHM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)o1 ZINC000128757175 948089526 /nfs/dbraw/zinc/08/95/26/948089526.db2.gz HKDDZHBTEBXYEM-ZDUSSCGKSA-N -1 3 360.797 3.774 20 30 FHEDHM C=C[C@@H](CCC(=O)[O-])NCc1cccc(Br)c1OC(F)F ZINC000417625496 948357967 /nfs/dbraw/zinc/35/79/67/948357967.db2.gz MPNDEBBTVPIONM-JTQLQIEISA-N -1 3 364.186 3.560 20 30 FHEDHM COc1ccsc1S(=O)(=O)[N-]C1(C#N)CCC(C(C)(C)C)CC1 ZINC000184235175 948545276 /nfs/dbraw/zinc/54/52/76/948545276.db2.gz PQPZLMLBKKJKGM-UHFFFAOYSA-N -1 3 356.513 3.534 20 30 FHEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc([O-])c(Br)c1 ZINC000024034511 210158600 /nfs/dbraw/zinc/15/86/00/210158600.db2.gz WHORRHQFUOYYQQ-MRXNPFEDSA-N -1 3 359.223 3.907 20 30 FHEDHM N#Cc1ccsc1[N-]C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000014626601 220128863 /nfs/dbraw/zinc/12/88/63/220128863.db2.gz RZXUVQAEPRULIT-UHFFFAOYSA-N -1 3 352.169 3.543 20 30 FHEDHM CSc1ccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000031564607 568333572 /nfs/dbraw/zinc/33/35/72/568333572.db2.gz RIQCACANKGVMNL-UHFFFAOYSA-N -1 3 364.330 3.823 20 30 FHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3csc(Nc4ccccn4)n3)nc21 ZINC000606146226 568670923 /nfs/dbraw/zinc/67/09/23/568670923.db2.gz MDPJGBXRZZBOGF-GFCCVEGCSA-N -1 3 374.429 3.957 20 30 FHEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccccc2)cs1 ZINC000819718645 607252503 /nfs/dbraw/zinc/25/25/03/607252503.db2.gz LZKMICVQCXNISE-UHFFFAOYSA-N -1 3 360.446 3.719 20 30 FHEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccc2)cs1 ZINC000819718645 607252504 /nfs/dbraw/zinc/25/25/04/607252504.db2.gz LZKMICVQCXNISE-UHFFFAOYSA-N -1 3 360.446 3.719 20 30 FHEDHM Oc1ccccc1C=NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000738400166 598825433 /nfs/dbraw/zinc/82/54/33/598825433.db2.gz FASMISDQCSHPLP-NDENLUEZSA-N -1 3 361.430 3.920 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738289082 598862565 /nfs/dbraw/zinc/86/25/65/598862565.db2.gz GGBCEUWMJXNQRH-WQLSENKSSA-N -1 3 352.781 3.569 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738289082 598862566 /nfs/dbraw/zinc/86/25/66/598862566.db2.gz GGBCEUWMJXNQRH-WQLSENKSSA-N -1 3 352.781 3.569 20 30 FHEDHM O=C(C=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1ccco1 ZINC000822930056 607252624 /nfs/dbraw/zinc/25/26/24/607252624.db2.gz XWYLETAGDJXLSR-KTKRTIGZSA-N -1 3 372.384 3.935 20 30 FHEDHM O=C(C=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1ccco1 ZINC000822930056 607252625 /nfs/dbraw/zinc/25/26/25/607252625.db2.gz XWYLETAGDJXLSR-KTKRTIGZSA-N -1 3 372.384 3.935 20 30 FHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(OC(F)F)cc1 ZINC000823503827 599117361 /nfs/dbraw/zinc/11/73/61/599117361.db2.gz JFWLCZNCXRCXDG-LCYFTJDESA-N -1 3 368.343 3.681 20 30 FHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(OC(F)F)cc1 ZINC000823503827 599117364 /nfs/dbraw/zinc/11/73/64/599117364.db2.gz JFWLCZNCXRCXDG-LCYFTJDESA-N -1 3 368.343 3.681 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(C(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737082053 599156372 /nfs/dbraw/zinc/15/63/72/599156372.db2.gz TTZXQCYTCDBEGC-KRXBUXKQSA-N -1 3 374.322 3.790 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(C(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737082053 599156375 /nfs/dbraw/zinc/15/63/75/599156375.db2.gz TTZXQCYTCDBEGC-KRXBUXKQSA-N -1 3 374.322 3.790 20 30 FHEDHM COc1ccc(C=CC(=O)c2cc(C)c(F)c(C)c2)cc1-c1nnn[n-]1 ZINC000737081569 599156602 /nfs/dbraw/zinc/15/66/02/599156602.db2.gz OZSWHRAYLZFGLL-XQRVVYSFSA-N -1 3 352.369 3.527 20 30 FHEDHM COc1ccc(C=CC(=O)c2cc(C)c(F)c(C)c2)cc1-c1nn[n-]n1 ZINC000737081569 599156607 /nfs/dbraw/zinc/15/66/07/599156607.db2.gz OZSWHRAYLZFGLL-XQRVVYSFSA-N -1 3 352.369 3.527 20 30 FHEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1C#N ZINC000735830495 598242506 /nfs/dbraw/zinc/24/25/06/598242506.db2.gz HDGBAQMBBCTMLR-UHFFFAOYSA-N -1 3 350.401 3.540 20 30 FHEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1C#N ZINC000735830495 598242508 /nfs/dbraw/zinc/24/25/08/598242508.db2.gz HDGBAQMBBCTMLR-UHFFFAOYSA-N -1 3 350.401 3.540 20 30 FHEDHM C=CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000735416966 598316588 /nfs/dbraw/zinc/31/65/88/598316588.db2.gz VKJNEDANXYOFMQ-UHFFFAOYSA-N -1 3 370.869 3.910 20 30 FHEDHM C=CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000735416966 598316589 /nfs/dbraw/zinc/31/65/89/598316589.db2.gz VKJNEDANXYOFMQ-UHFFFAOYSA-N -1 3 370.869 3.910 20 30 FHEDHM CC(C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2)=Cc1ccccc1 ZINC000735964271 598376808 /nfs/dbraw/zinc/37/68/08/598376808.db2.gz XKOHXLQFMDYKHR-IWCZYTNJSA-N -1 3 359.433 3.765 20 30 FHEDHM CC(C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2)=Cc1ccccc1 ZINC000735964271 598376810 /nfs/dbraw/zinc/37/68/10/598376810.db2.gz XKOHXLQFMDYKHR-IWCZYTNJSA-N -1 3 359.433 3.765 20 30 FHEDHM O=C(C=Cc1cnc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000737804394 598439825 /nfs/dbraw/zinc/43/98/25/598439825.db2.gz AYNCPDLQRBFYOK-KTKRTIGZSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1cnc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000737804394 598439826 /nfs/dbraw/zinc/43/98/26/598439826.db2.gz AYNCPDLQRBFYOK-KTKRTIGZSA-N -1 3 359.414 3.886 20 30 FHEDHM Oc1ccccc1C=Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738401399 598538753 /nfs/dbraw/zinc/53/87/53/598538753.db2.gz RWLMMPCGUKVNAC-UHFFFAOYSA-N -1 3 371.400 3.902 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc2[nH]ccc21 ZINC000735420114 598781295 /nfs/dbraw/zinc/78/12/95/598781295.db2.gz MKKHQCRJAAMVBI-UHFFFAOYSA-N -1 3 373.420 3.568 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc2[nH]ccc21 ZINC000735420114 598781297 /nfs/dbraw/zinc/78/12/97/598781297.db2.gz MKKHQCRJAAMVBI-UHFFFAOYSA-N -1 3 373.420 3.568 20 30 FHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738291329 598788501 /nfs/dbraw/zinc/78/85/01/598788501.db2.gz UFNSBPXLMUGNNS-YRNVUSSQSA-N -1 3 357.200 3.996 20 30 FHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738291329 598788502 /nfs/dbraw/zinc/78/85/02/598788502.db2.gz UFNSBPXLMUGNNS-YRNVUSSQSA-N -1 3 357.200 3.996 20 30 FHEDHM CCCCCCCCC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736448636 598807481 /nfs/dbraw/zinc/80/74/81/598807481.db2.gz OAMYPHLTZDMKPP-UHFFFAOYSA-N -1 3 367.457 3.742 20 30 FHEDHM CC[C@H](C#N)Oc1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000820841822 599557902 /nfs/dbraw/zinc/55/79/02/599557902.db2.gz FVKJNESYZPXXBW-CYBMUJFWSA-N -1 3 368.828 3.813 20 30 FHEDHM CC[C@H](C#N)Oc1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000820841822 599557904 /nfs/dbraw/zinc/55/79/04/599557904.db2.gz FVKJNESYZPXXBW-CYBMUJFWSA-N -1 3 368.828 3.813 20 30 FHEDHM CCOc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OCC ZINC000737194364 600590140 /nfs/dbraw/zinc/59/01/40/600590140.db2.gz CRAFSSJIICHQBB-JLTOFOAXSA-N -1 3 368.433 3.832 20 30 FHEDHM CCCOc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737031149 600594566 /nfs/dbraw/zinc/59/45/66/600594566.db2.gz ICFCPOIUSFNQQB-XOBRGWDASA-N -1 3 368.433 3.832 20 30 FHEDHM Cc1cc(Br)cc(C)c1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738314398 600596533 /nfs/dbraw/zinc/59/65/33/600596533.db2.gz KIDZXAHBXDAAPH-KRWDZBQOSA-N -1 3 373.250 3.853 20 30 FHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000827717412 601297435 /nfs/dbraw/zinc/29/74/35/601297435.db2.gz HLMFKGJVABXXEX-BDJLRTHQSA-N -1 3 359.223 3.797 20 30 FHEDHM COCCSc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831788460 601304104 /nfs/dbraw/zinc/30/41/04/601304104.db2.gz UTVPKUGWNCJLLC-AUUYWEPGSA-N -1 3 370.474 3.773 20 30 FHEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NOCc1ccc(C(F)(F)F)cc1 ZINC000826371478 607533359 /nfs/dbraw/zinc/53/33/59/607533359.db2.gz HSKVFPRTRCBPEP-UHFFFAOYSA-N -1 3 365.290 3.575 20 30 FHEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NOCc1ccc(C(F)(F)F)cc1 ZINC000826371478 607533362 /nfs/dbraw/zinc/53/33/62/607533362.db2.gz HSKVFPRTRCBPEP-UHFFFAOYSA-N -1 3 365.290 3.575 20 30 FHEDHM COc1ccc(CS[C@@H](C)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826207155 607535732 /nfs/dbraw/zinc/53/57/32/607535732.db2.gz CFXOAHUMPNAZOW-LBPRGKRZSA-N -1 3 351.435 3.741 20 30 FHEDHM COc1ccc(CS[C@@H](C)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826207155 607535733 /nfs/dbraw/zinc/53/57/33/607535733.db2.gz CFXOAHUMPNAZOW-LBPRGKRZSA-N -1 3 351.435 3.741 20 30 FHEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000827710308 602302745 /nfs/dbraw/zinc/30/27/45/602302745.db2.gz PSHYBZGEELEZCP-RBZFPXEDSA-N -1 3 368.408 3.963 20 30 FHEDHM CSc1ccc2c(c1)CCC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000821983291 606390310 /nfs/dbraw/zinc/39/03/10/606390310.db2.gz FXUPJARNYSYALL-LUAWRHEFSA-N -1 3 354.460 3.863 20 30 FHEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)ccc1SC ZINC000821703319 606390610 /nfs/dbraw/zinc/39/06/10/606390610.db2.gz ZCOSBXDOZRHJAC-GQCTYLIASA-N -1 3 358.448 3.555 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(C(F)(F)F)cc1 ZINC000822921952 606391469 /nfs/dbraw/zinc/39/14/69/606391469.db2.gz BACIYSNBBIMMJR-ALCCZGGFSA-N -1 3 350.325 3.843 20 30 FHEDHM O=C1C(=Cc2coc(-c3ccccc3)n2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504575 606627279 /nfs/dbraw/zinc/62/72/79/606627279.db2.gz RMOXSJDMNWFFRQ-PTNGSMBKSA-N -1 3 369.384 3.734 20 30 FHEDHM O=C1C(=Cc2coc(-c3ccccc3)n2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504575 606627281 /nfs/dbraw/zinc/62/72/81/606627281.db2.gz RMOXSJDMNWFFRQ-PTNGSMBKSA-N -1 3 369.384 3.734 20 30 FHEDHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820455399 606920248 /nfs/dbraw/zinc/92/02/48/606920248.db2.gz IJTWXLQMGZEMMY-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820455399 606920249 /nfs/dbraw/zinc/92/02/49/606920249.db2.gz IJTWXLQMGZEMMY-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM C=CCC(CC=C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000819735053 607006234 /nfs/dbraw/zinc/00/62/34/607006234.db2.gz ZTBZDPYMBKVOIB-LLVKDONJSA-N -1 3 357.483 3.760 20 30 FHEDHM C=CCC(CC=C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000819735053 607006235 /nfs/dbraw/zinc/00/62/35/607006235.db2.gz ZTBZDPYMBKVOIB-LLVKDONJSA-N -1 3 357.483 3.760 20 30 FHEDHM Cc1cc(Cl)c2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CCO2 ZINC000822200937 607122545 /nfs/dbraw/zinc/12/25/45/607122545.db2.gz JLFRYRYCBATMND-POHAHGRESA-N -1 3 372.837 3.939 20 30 FHEDHM Cc1cc(Cl)c2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CCO2 ZINC000822200937 607122546 /nfs/dbraw/zinc/12/25/46/607122546.db2.gz JLFRYRYCBATMND-POHAHGRESA-N -1 3 372.837 3.939 20 30 FHEDHM C[C@H](C#N)CN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000824033756 607831258 /nfs/dbraw/zinc/83/12/58/607831258.db2.gz AHPGUXQICSVCFA-OAHLLOKOSA-N -1 3 358.449 3.658 20 30 FHEDHM C[C@H](C#N)CN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000824033756 607831259 /nfs/dbraw/zinc/83/12/59/607831259.db2.gz AHPGUXQICSVCFA-OAHLLOKOSA-N -1 3 358.449 3.658 20 30 FHEDHM COc1ccc(C#N)cc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826186829 607843936 /nfs/dbraw/zinc/84/39/36/607843936.db2.gz MDGLZHPMCSVCGL-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1ccc(C#N)cc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826186829 607843937 /nfs/dbraw/zinc/84/39/37/607843937.db2.gz MDGLZHPMCSVCGL-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM N#Cc1ccccc1C=C1CCCC(=Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000826387372 607883985 /nfs/dbraw/zinc/88/39/85/607883985.db2.gz RWUFGYZEEQQFRQ-HUPOLGGESA-N -1 3 367.412 3.958 20 30 FHEDHM N#Cc1ccccc1C=C1CCCC(=Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000826387372 607883986 /nfs/dbraw/zinc/88/39/86/607883986.db2.gz RWUFGYZEEQQFRQ-HUPOLGGESA-N -1 3 367.412 3.958 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(-c2ccncc2)cc1 ZINC000826402392 607885202 /nfs/dbraw/zinc/88/52/02/607885202.db2.gz SGPILVYVKZKSOY-KTKRTIGZSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(-c2ccncc2)cc1 ZINC000826402392 607885203 /nfs/dbraw/zinc/88/52/03/607885203.db2.gz SGPILVYVKZKSOY-KTKRTIGZSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cc(Br)ccc1F ZINC000826401783 607885367 /nfs/dbraw/zinc/88/53/67/607885367.db2.gz GQMNKEJVHSUTAP-YVMONPNESA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cc(Br)ccc1F ZINC000826401783 607885368 /nfs/dbraw/zinc/88/53/68/607885368.db2.gz GQMNKEJVHSUTAP-YVMONPNESA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000826401380 607916175 /nfs/dbraw/zinc/91/61/75/607916175.db2.gz WXJXVDNSQPVGNG-ALCCZGGFSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000826401380 607916176 /nfs/dbraw/zinc/91/61/76/607916176.db2.gz WXJXVDNSQPVGNG-ALCCZGGFSA-N -1 3 362.286 3.921 20 30 FHEDHM C=C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000823883284 607999861 /nfs/dbraw/zinc/99/98/61/607999861.db2.gz NGJFVQDRHNWXPV-GFCCVEGCSA-N -1 3 353.813 3.819 20 30 FHEDHM C=C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000823883284 607999862 /nfs/dbraw/zinc/99/98/62/607999862.db2.gz NGJFVQDRHNWXPV-GFCCVEGCSA-N -1 3 353.813 3.819 20 30 FHEDHM C[C@@H](Nc1ccc(C#N)cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000824656503 608047922 /nfs/dbraw/zinc/04/79/22/608047922.db2.gz KYVGVHGXBGNCSP-SNVBAGLBSA-N -1 3 369.226 3.674 20 30 FHEDHM C[C@@H](Nc1ccc(C#N)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000824656503 608047923 /nfs/dbraw/zinc/04/79/23/608047923.db2.gz KYVGVHGXBGNCSP-SNVBAGLBSA-N -1 3 369.226 3.674 20 30 FHEDHM O=C(C=Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401373 608093103 /nfs/dbraw/zinc/09/31/03/608093103.db2.gz WOYAWSRQDCPROP-TWGQIWQCSA-N -1 3 365.462 3.815 20 30 FHEDHM CC(=NNc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823962025 608094585 /nfs/dbraw/zinc/09/45/85/608094585.db2.gz DABDZMWRZMCOOP-UHFFFAOYSA-N -1 3 363.244 3.527 20 30 FHEDHM C[C@]1(C#N)CCCN(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000824777150 608125643 /nfs/dbraw/zinc/12/56/43/608125643.db2.gz HOGMHADCDLBXBV-OAQYLSRUSA-N -1 3 358.449 3.659 20 30 FHEDHM C=CCC[C@H](C)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823894883 608275111 /nfs/dbraw/zinc/27/51/11/608275111.db2.gz ZANRCJPEWJADJG-ZDUSSCGKSA-N -1 3 365.393 3.566 20 30 FHEDHM C=CCC[C@H](C)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823894883 608275112 /nfs/dbraw/zinc/27/51/12/608275112.db2.gz ZANRCJPEWJADJG-ZDUSSCGKSA-N -1 3 365.393 3.566 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826395720 608288866 /nfs/dbraw/zinc/28/88/66/608288866.db2.gz QNEQPHKKQNDCRS-AATRIKPKSA-N -1 3 360.204 3.652 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826395720 608288867 /nfs/dbraw/zinc/28/88/67/608288867.db2.gz QNEQPHKKQNDCRS-AATRIKPKSA-N -1 3 360.204 3.652 20 30 FHEDHM COc1cc(C#N)ccc1CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826177197 608322904 /nfs/dbraw/zinc/32/29/04/608322904.db2.gz WEVITBZVXWRCFC-GFCCVEGCSA-N -1 3 351.435 3.741 20 30 FHEDHM COc1cc(C#N)ccc1CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826177197 608322905 /nfs/dbraw/zinc/32/29/05/608322905.db2.gz WEVITBZVXWRCFC-GFCCVEGCSA-N -1 3 351.435 3.741 20 30 FHEDHM Cc1cc(F)ccc1N(Cc1cccc(-c2nnn[n-]2)c1)CC1(C#N)CC1 ZINC000826268843 608384509 /nfs/dbraw/zinc/38/45/09/608384509.db2.gz PPNGBCHSRVVUFP-UHFFFAOYSA-N -1 3 362.412 3.625 20 30 FHEDHM Cc1cc(F)ccc1N(Cc1cccc(-c2nn[n-]n2)c1)CC1(C#N)CC1 ZINC000826268843 608384510 /nfs/dbraw/zinc/38/45/10/608384510.db2.gz PPNGBCHSRVVUFP-UHFFFAOYSA-N -1 3 362.412 3.625 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475673 608387636 /nfs/dbraw/zinc/38/76/36/608387636.db2.gz MUQCSNQMUWGIAH-XFFZJAGNSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475673 608387637 /nfs/dbraw/zinc/38/76/37/608387637.db2.gz MUQCSNQMUWGIAH-XFFZJAGNSA-N -1 3 370.771 3.708 20 30 FHEDHM COc1ccc([C@@H](C)C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826187822 608533964 /nfs/dbraw/zinc/53/39/64/608533964.db2.gz GAOPPZBCSNQSLM-JTQLQIEISA-N -1 3 371.832 3.515 20 30 FHEDHM COc1ccc([C@@H](C)C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826187822 608533965 /nfs/dbraw/zinc/53/39/65/608533965.db2.gz GAOPPZBCSNQSLM-JTQLQIEISA-N -1 3 371.832 3.515 20 30 FHEDHM Cc1c2ccccc2oc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000823958346 608535492 /nfs/dbraw/zinc/53/54/92/608535492.db2.gz KLKWBEBVINKATK-UHFFFAOYSA-N -1 3 367.800 3.806 20 30 FHEDHM Cc1c2ccccc2oc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000823958346 608535494 /nfs/dbraw/zinc/53/54/94/608535494.db2.gz KLKWBEBVINKATK-UHFFFAOYSA-N -1 3 367.800 3.806 20 30 FHEDHM Cc1ccc(CCC(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000824406643 608540176 /nfs/dbraw/zinc/54/01/76/608540176.db2.gz OWOOIRAYXDTCFG-UHFFFAOYSA-N -1 3 355.833 3.644 20 30 FHEDHM Cc1ccc(CCC(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000824406643 608540177 /nfs/dbraw/zinc/54/01/77/608540177.db2.gz OWOOIRAYXDTCFG-UHFFFAOYSA-N -1 3 355.833 3.644 20 30 FHEDHM C=CCN(Cc1cnc(CC(C)C)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914793 608632638 /nfs/dbraw/zinc/63/26/38/608632638.db2.gz NSEMSNGXMXYCJT-UHFFFAOYSA-N -1 3 368.510 3.710 20 30 FHEDHM CC(C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824323936 609269170 /nfs/dbraw/zinc/26/91/70/609269170.db2.gz DNESUJHSRTWSAT-YHYXMXQVSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824323936 609269172 /nfs/dbraw/zinc/26/91/72/609269172.db2.gz DNESUJHSRTWSAT-YHYXMXQVSA-N -1 3 352.369 3.689 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000826191058 609269780 /nfs/dbraw/zinc/26/97/80/609269780.db2.gz VVHNQLKNDZTLQH-QPJJXVBHSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000826191058 609269782 /nfs/dbraw/zinc/26/97/82/609269782.db2.gz VVHNQLKNDZTLQH-QPJJXVBHSA-N -1 3 358.760 3.564 20 30 FHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1OC(F)F ZINC000826297389 609308050 /nfs/dbraw/zinc/30/80/50/609308050.db2.gz FTDMASBKTWXCJY-MDZDMXLPSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1OC(F)F ZINC000826297389 609308052 /nfs/dbraw/zinc/30/80/52/609308052.db2.gz FTDMASBKTWXCJY-MDZDMXLPSA-N -1 3 356.332 3.673 20 30 FHEDHM N#Cc1ccc(CSc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826385458 609311317 /nfs/dbraw/zinc/31/13/17/609311317.db2.gz NEJIEMMDTQZFOD-UHFFFAOYSA-N -1 3 372.251 3.793 20 30 FHEDHM N#Cc1ccc(CSc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826385458 609311319 /nfs/dbraw/zinc/31/13/19/609311319.db2.gz NEJIEMMDTQZFOD-UHFFFAOYSA-N -1 3 372.251 3.793 20 30 FHEDHM C=C(C)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823874290 609380153 /nfs/dbraw/zinc/38/01/53/609380153.db2.gz VAJXPAXMBPAKKK-UHFFFAOYSA-N -1 3 364.409 3.699 20 30 FHEDHM C=C(C)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823874290 609380156 /nfs/dbraw/zinc/38/01/56/609380156.db2.gz VAJXPAXMBPAKKK-UHFFFAOYSA-N -1 3 364.409 3.699 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C)c(C)c1O ZINC000823958758 609474717 /nfs/dbraw/zinc/47/47/17/609474717.db2.gz VDLJXKOHUAPVBN-UHFFFAOYSA-N -1 3 356.817 3.679 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C)c(C)c1O ZINC000823958758 609474719 /nfs/dbraw/zinc/47/47/19/609474719.db2.gz VDLJXKOHUAPVBN-UHFFFAOYSA-N -1 3 356.817 3.679 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000286335873 927822334 /nfs/dbraw/zinc/82/23/34/927822334.db2.gz LSZUCJWEMABPBW-JLTOFOAXSA-N -1 3 363.461 3.818 20 30 FHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000187010384 927838045 /nfs/dbraw/zinc/83/80/45/927838045.db2.gz UMLRJLXTKHBYMW-UHFFFAOYSA-N -1 3 363.172 3.944 20 30 FHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(Br)cc3)nc1-2 ZINC000607722489 927904291 /nfs/dbraw/zinc/90/42/91/927904291.db2.gz UQTVVTVAEVDWJD-LBPRGKRZSA-N -1 3 355.195 3.519 20 30 FHEDHM COc1cc(C(=O)/C=C\c2cn(C)nc2-c2ccc(C#N)cc2)ccc1[O-] ZINC000588394027 931351431 /nfs/dbraw/zinc/35/14/31/931351431.db2.gz LHGNMXIZVHKUMQ-HJWRWDBZSA-N -1 3 359.385 3.569 20 30 FHEDHM COc1cc(OC)c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1OC ZINC000430603916 932065643 /nfs/dbraw/zinc/06/56/43/932065643.db2.gz OQBVNRBBWWBMLT-GFCCVEGCSA-N -1 3 374.462 3.956 20 30 FHEDHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1OCCCC#N ZINC000277044502 934465349 /nfs/dbraw/zinc/46/53/49/934465349.db2.gz RHNWNRNUAPWYKA-INIZCTEOSA-N -1 3 374.462 3.745 20 30 FHEDHM CC(=Cc1c(Cl)cccc1Cl)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000588473253 934496120 /nfs/dbraw/zinc/49/61/20/934496120.db2.gz TXAIWYSDPFTINV-CUZBXDDWSA-N -1 3 362.216 3.722 20 30 FHEDHM COc1cc(C(=O)/C=C\c2cccc(OC(F)F)c2)c(OC)cc1[O-] ZINC000255470216 935066239 /nfs/dbraw/zinc/06/62/39/935066239.db2.gz USYYARUEDPGLPL-SREVYHEPSA-N -1 3 350.317 3.907 20 30 FHEDHM N#CC(=C([O-])C=Cc1nc2ccccc2s1)c1nnc2n1CCCCC2 ZINC000255472713 935104227 /nfs/dbraw/zinc/10/42/27/935104227.db2.gz VBIOWXRXOWHZLR-XPSMFNQNSA-N -1 3 363.446 3.504 20 30 FHEDHM CCNC(=O)c1ccc(N=Cc2cc(Br)ccc2[O-])c(C)c1 ZINC000255477257 935188092 /nfs/dbraw/zinc/18/80/92/935188092.db2.gz MYIZQULRIBFAHV-UHFFFAOYSA-N -1 3 361.239 3.963 20 30 FHEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000121781294 935309315 /nfs/dbraw/zinc/30/93/15/935309315.db2.gz BINQWCDGBHWGAY-LLVKDONJSA-N -1 3 354.781 3.575 20 30 FHEDHM COc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(Cl)c2)c(OC)cc1[O-] ZINC000588508647 935431546 /nfs/dbraw/zinc/43/15/46/935431546.db2.gz BJOVZWOGKOINCL-XQRVVYSFSA-N -1 3 363.753 3.867 20 30 FHEDHM N#CCCCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737686757 945113120 /nfs/dbraw/zinc/11/31/20/945113120.db2.gz DDJFYUJFECCTQZ-UHFFFAOYSA-N -1 3 363.377 3.510 20 30 FHEDHM N#CCCCCOC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737686757 945113124 /nfs/dbraw/zinc/11/31/24/945113124.db2.gz DDJFYUJFECCTQZ-UHFFFAOYSA-N -1 3 363.377 3.510 20 30 FHEDHM CCOc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1Br ZINC000588523221 935757133 /nfs/dbraw/zinc/75/71/33/935757133.db2.gz TZQIVVRWQDKPTD-UHFFFAOYSA-N -1 3 352.184 3.715 20 30 FHEDHM C=CCC1(O)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000924435253 935978650 /nfs/dbraw/zinc/97/86/50/935978650.db2.gz QHERELIRLYLJBB-UHFFFAOYSA-N -1 3 351.446 3.526 20 30 FHEDHM N#CCC[C@H](C#N)CNc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737686033 936137614 /nfs/dbraw/zinc/13/76/14/936137614.db2.gz WGGAGHLSTITGNM-CQSZACIVSA-N -1 3 359.393 3.514 20 30 FHEDHM N#CCC[C@H](C#N)CNc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737686033 936137615 /nfs/dbraw/zinc/13/76/15/936137615.db2.gz WGGAGHLSTITGNM-CQSZACIVSA-N -1 3 359.393 3.514 20 30 FHEDHM CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000278678142 938644305 /nfs/dbraw/zinc/64/43/05/938644305.db2.gz JTFXXONCBUCTJA-MRXNPFEDSA-N -1 3 359.451 3.502 20 30 FHEDHM N#C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(Br)c1 ZINC000584424405 938853665 /nfs/dbraw/zinc/85/36/65/938853665.db2.gz ZTNMKLSDOMQVEH-AWEZNQCLSA-N -1 3 365.614 3.803 20 30 FHEDHM [O-]c1ccc(Br)cc1/C=N/Cc1nc(-c2cccs2)no1 ZINC000065691439 938977346 /nfs/dbraw/zinc/97/73/46/938977346.db2.gz KILLCKQNGUXTKN-FRKPEAEDSA-N -1 3 364.224 3.885 20 30 FHEDHM N#CCCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000431624729 939013991 /nfs/dbraw/zinc/01/39/91/939013991.db2.gz XDMJDEHGVJPJDO-INIZCTEOSA-N -1 3 350.390 3.678 20 30 FHEDHM CC(C)c1nnc([N-]C(=O)c2ccc(COc3ccc(C#N)cc3)o2)s1 ZINC000102718842 939209322 /nfs/dbraw/zinc/20/93/22/939209322.db2.gz JZTLQVWTKFAMPC-UHFFFAOYSA-N -1 3 368.418 3.957 20 30 FHEDHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000188480085 939904405 /nfs/dbraw/zinc/90/44/05/939904405.db2.gz FXDOCRSTJXDFTJ-UHFFFAOYSA-N -1 3 369.215 3.569 20 30 FHEDHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)cc1F ZINC000431632821 939908347 /nfs/dbraw/zinc/90/83/47/939908347.db2.gz AZRHTIDZNZHUFH-KRWDZBQOSA-N -1 3 364.417 3.987 20 30 FHEDHM N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc([O-])c2F)o1 ZINC000128302316 940185550 /nfs/dbraw/zinc/18/55/50/940185550.db2.gz SRZICCYKXJQZHL-UHFFFAOYSA-N -1 3 352.321 3.827 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000105862355 941074235 /nfs/dbraw/zinc/07/42/35/941074235.db2.gz FYEMOILROSAXBI-CQSZACIVSA-N -1 3 371.868 3.669 20 30 FHEDHM C#Cc1ccccc1CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000377991701 942131476 /nfs/dbraw/zinc/13/14/76/942131476.db2.gz UKLUEVOOAAJDFE-UHFFFAOYSA-N -1 3 357.413 3.574 20 30 FHEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cccc(F)c2o1 ZINC000122925360 942737396 /nfs/dbraw/zinc/73/73/96/942737396.db2.gz ZSPRTNDEPKOEFO-LBPRGKRZSA-N -1 3 352.321 3.542 20 30 FHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1C ZINC000435138928 943191681 /nfs/dbraw/zinc/19/16/81/943191681.db2.gz UXIRUQFPPCHBBF-UHFFFAOYSA-N -1 3 374.462 3.772 20 30 FHEDHM CCCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)[C@@H](C#N)CC ZINC000416956604 943256132 /nfs/dbraw/zinc/25/61/32/943256132.db2.gz NEIWSTXPXLSHDY-GFCCVEGCSA-N -1 3 363.405 3.961 20 30 FHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000435679753 943540527 /nfs/dbraw/zinc/54/05/27/943540527.db2.gz BZWAWYSQGDQZGG-UHFFFAOYSA-N -1 3 352.419 3.889 20 30 FHEDHM N#Cc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C(F)(F)F)c1 ZINC000417618835 943754622 /nfs/dbraw/zinc/75/46/22/943754622.db2.gz DKCQTCVTJSNQAJ-RDJZCZTQSA-N -1 3 360.335 3.980 20 30 FHEDHM C=C(C)COc1cc(CNCc2ccc(C(=O)[O-])c(C)c2)ccc1OC ZINC000417666540 943810588 /nfs/dbraw/zinc/81/05/88/943810588.db2.gz GGILUUSTRAZQMU-UHFFFAOYSA-N -1 3 355.434 3.947 20 30 FHEDHM CC(=O)c1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1[O-] ZINC000436525092 944394451 /nfs/dbraw/zinc/39/44/51/944394451.db2.gz MDEPXMWXYCVNOO-UHFFFAOYSA-N -1 3 356.381 3.642 20 30 FHEDHM CC(C)c1ccc([C@@H](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735925092 944714020 /nfs/dbraw/zinc/71/40/20/944714020.db2.gz XQRIUCJTKXZNBB-AWEZNQCLSA-N -1 3 374.448 3.994 20 30 FHEDHM CC(C)c1ccc([C@@H](C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735925092 944714027 /nfs/dbraw/zinc/71/40/27/944714027.db2.gz XQRIUCJTKXZNBB-AWEZNQCLSA-N -1 3 374.448 3.994 20 30 FHEDHM N#Cc1cccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000426808439 944829154 /nfs/dbraw/zinc/82/91/54/944829154.db2.gz RIRVFZLETSUECN-MRXNPFEDSA-N -1 3 359.223 3.626 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(-c2ccncc2)c1 ZINC000822922987 946219479 /nfs/dbraw/zinc/21/94/79/946219479.db2.gz LWRYMHHAQSWAKO-SNAWJCMRSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(-c2ccncc2)c1 ZINC000822922987 946219493 /nfs/dbraw/zinc/21/94/93/946219493.db2.gz LWRYMHHAQSWAKO-SNAWJCMRSA-N -1 3 359.414 3.886 20 30 FHEDHM C=C(C)c1cccc(NC(=O)C(C)(C)c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001573295369 947017599 /nfs/dbraw/zinc/01/75/99/947017599.db2.gz PKVZOMNKDNFRBT-UHFFFAOYSA-N -1 3 365.412 3.955 20 30 FHEDHM C=C(C)c1cccc(NC(=O)C(C)(C)c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001573295369 947017606 /nfs/dbraw/zinc/01/76/06/947017606.db2.gz PKVZOMNKDNFRBT-UHFFFAOYSA-N -1 3 365.412 3.955 20 30 FHEDHM C=CC(C)(C)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573305220 947152765 /nfs/dbraw/zinc/15/27/65/947152765.db2.gz BPWDVUVTRUIEBT-UHFFFAOYSA-N -1 3 363.421 3.601 20 30 FHEDHM C=CC(C)(C)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573305220 947152768 /nfs/dbraw/zinc/15/27/68/947152768.db2.gz BPWDVUVTRUIEBT-UHFFFAOYSA-N -1 3 363.421 3.601 20 30 FHEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001573328950 947415880 /nfs/dbraw/zinc/41/58/80/947415880.db2.gz FKCWBUXKQZNQRS-WMLDXEAASA-N -1 3 368.485 3.536 20 30 FHEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001573328950 947415884 /nfs/dbraw/zinc/41/58/84/947415884.db2.gz FKCWBUXKQZNQRS-WMLDXEAASA-N -1 3 368.485 3.536 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](F)CC1CCCCC1 ZINC001573342419 947541217 /nfs/dbraw/zinc/54/12/17/947541217.db2.gz XTJCGPAJOFCKHE-GOSISDBHSA-N -1 3 371.460 3.690 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](F)CC1CCCCC1 ZINC001573342419 947541228 /nfs/dbraw/zinc/54/12/28/947541228.db2.gz XTJCGPAJOFCKHE-GOSISDBHSA-N -1 3 371.460 3.690 20 30 FHEDHM O=C([O-])CC[C@@H](CNCc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000663262976 947594096 /nfs/dbraw/zinc/59/40/96/947594096.db2.gz WKOQSMRQFXSCKR-VIFPVBQESA-N -1 3 361.257 3.977 20 30 FHEDHM O=C([O-])CC[C@@H](CNCc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000663262551 947594119 /nfs/dbraw/zinc/59/41/19/947594119.db2.gz UEAGRMJENLEHPF-VIFPVBQESA-N -1 3 361.257 3.977 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826291923 947846546 /nfs/dbraw/zinc/84/65/46/947846546.db2.gz BGTGWMJZDPPTKX-XQRVVYSFSA-N -1 3 374.322 3.812 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826291923 947846553 /nfs/dbraw/zinc/84/65/53/947846553.db2.gz BGTGWMJZDPPTKX-XQRVVYSFSA-N -1 3 374.322 3.812 20 30 FHEDHM O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399832 948214633 /nfs/dbraw/zinc/21/46/33/948214633.db2.gz HGYXJXHNOHUJPY-FPYGCLRLSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399832 948214644 /nfs/dbraw/zinc/21/46/44/948214644.db2.gz HGYXJXHNOHUJPY-FPYGCLRLSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400548 948216522 /nfs/dbraw/zinc/21/65/22/948216522.db2.gz BEBKADUADOMRAY-BAQGIRSFSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400548 948216532 /nfs/dbraw/zinc/21/65/32/948216532.db2.gz BEBKADUADOMRAY-BAQGIRSFSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400916 948219661 /nfs/dbraw/zinc/21/96/61/948219661.db2.gz LAAKGEPBFLQFJP-DAXSKMNVSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400916 948219670 /nfs/dbraw/zinc/21/96/70/948219670.db2.gz LAAKGEPBFLQFJP-DAXSKMNVSA-N -1 3 360.295 3.503 20 30 FHEDHM CCOC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)c1C ZINC000603835724 568159242 /nfs/dbraw/zinc/15/92/42/568159242.db2.gz MANCABPLLCHPQS-HNNXBMFYSA-N -1 3 361.401 3.847 20 30 FHEDHM Cc1ccc(-c2csc(C(C#N)C(=O)c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000603836559 568159553 /nfs/dbraw/zinc/15/95/53/568159553.db2.gz FGBBWWRZWVHHNQ-LBPRGKRZSA-N -1 3 352.375 3.845 20 30 FHEDHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(C(C)(C)C#N)cc1)c2=O ZINC000603872843 568174425 /nfs/dbraw/zinc/17/44/25/568174425.db2.gz VVXHROAVOGZYMF-UHFFFAOYSA-N -1 3 361.401 3.590 20 30 FHEDHM COc1ccc2c([O-])c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cnc2c1 ZINC000603872843 568174426 /nfs/dbraw/zinc/17/44/26/568174426.db2.gz VVXHROAVOGZYMF-UHFFFAOYSA-N -1 3 361.401 3.590 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738289625 598862385 /nfs/dbraw/zinc/86/23/85/598862385.db2.gz KGAPZOSZJDKNJP-LCYFTJDESA-N -1 3 352.781 3.569 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738289625 598862387 /nfs/dbraw/zinc/86/23/87/598862387.db2.gz KGAPZOSZJDKNJP-LCYFTJDESA-N -1 3 352.781 3.569 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738289083 598862582 /nfs/dbraw/zinc/86/25/82/598862582.db2.gz GGBCEUWMJXNQRH-XYOKQWHBSA-N -1 3 352.781 3.569 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738289083 598862584 /nfs/dbraw/zinc/86/25/84/598862584.db2.gz GGBCEUWMJXNQRH-XYOKQWHBSA-N -1 3 352.781 3.569 20 30 FHEDHM CC[C@@H](C)[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736320260 598918110 /nfs/dbraw/zinc/91/81/10/598918110.db2.gz SADCFVBPIIIEQG-ACJLOTCBSA-N -1 3 360.421 3.507 20 30 FHEDHM CC[C@@H](C)[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736320260 598918112 /nfs/dbraw/zinc/91/81/12/598918112.db2.gz SADCFVBPIIIEQG-ACJLOTCBSA-N -1 3 360.421 3.507 20 30 FHEDHM N#Cc1ccc(F)c(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000822830113 599071359 /nfs/dbraw/zinc/07/13/59/599071359.db2.gz VBELBFBVPYEPLU-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(OC(F)F)cc1C ZINC000822198710 599111508 /nfs/dbraw/zinc/11/15/08/599111508.db2.gz HFGXCILDEYXIAE-FPLPWBNLSA-N -1 3 370.359 3.981 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)cc1C ZINC000822198710 599111511 /nfs/dbraw/zinc/11/15/11/599111511.db2.gz HFGXCILDEYXIAE-FPLPWBNLSA-N -1 3 370.359 3.981 20 30 FHEDHM CC(C)Oc1ccccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000820178702 599112346 /nfs/dbraw/zinc/11/23/46/599112346.db2.gz YJDMBHRUBOHJFS-VBKFSLOCSA-N -1 3 360.417 3.866 20 30 FHEDHM CC(C)Oc1ccccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000820178702 599112349 /nfs/dbraw/zinc/11/23/49/599112349.db2.gz YJDMBHRUBOHJFS-VBKFSLOCSA-N -1 3 360.417 3.866 20 30 FHEDHM CCCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000821133815 599112814 /nfs/dbraw/zinc/11/28/14/599112814.db2.gz FWEMKWWJUAPWIL-LFIBNONCSA-N -1 3 360.417 3.868 20 30 FHEDHM CCCOc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000821133815 599112817 /nfs/dbraw/zinc/11/28/17/599112817.db2.gz FWEMKWWJUAPWIL-LFIBNONCSA-N -1 3 360.417 3.868 20 30 FHEDHM COc1ccccc1C=CC=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000821890633 599113390 /nfs/dbraw/zinc/11/33/90/599113390.db2.gz NKBZQFVMWQXZJI-QPTIXVFQSA-N -1 3 358.401 3.644 20 30 FHEDHM COc1ccccc1C=CC=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821890633 599113392 /nfs/dbraw/zinc/11/33/92/599113392.db2.gz NKBZQFVMWQXZJI-QPTIXVFQSA-N -1 3 358.401 3.644 20 30 FHEDHM COc1ccccc1C=CC=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000821890631 599113606 /nfs/dbraw/zinc/11/36/06/599113606.db2.gz NKBZQFVMWQXZJI-HUSDYWJVSA-N -1 3 358.401 3.644 20 30 FHEDHM COc1ccccc1C=CC=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821890631 599113609 /nfs/dbraw/zinc/11/36/09/599113609.db2.gz NKBZQFVMWQXZJI-HUSDYWJVSA-N -1 3 358.401 3.644 20 30 FHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(Cl)c(F)c1 ZINC000823504208 599117099 /nfs/dbraw/zinc/11/70/99/599117099.db2.gz NEVFOJXFFDAXJT-GHXNOFRVSA-N -1 3 354.772 3.872 20 30 FHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(Cl)c(F)c1 ZINC000823504208 599117102 /nfs/dbraw/zinc/11/71/02/599117102.db2.gz NEVFOJXFFDAXJT-GHXNOFRVSA-N -1 3 354.772 3.872 20 30 FHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)Oc2cc(Cl)cc(Cl)c21 ZINC000823504618 599117382 /nfs/dbraw/zinc/11/73/82/599117382.db2.gz RWLJGDUPWYJMTH-WLRTZDKTSA-N -1 3 359.172 3.790 20 30 FHEDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)Oc2cc(Cl)cc(Cl)c21 ZINC000823504618 599117383 /nfs/dbraw/zinc/11/73/83/599117383.db2.gz RWLJGDUPWYJMTH-WLRTZDKTSA-N -1 3 359.172 3.790 20 30 FHEDHM COc1ccc(C=CC(=O)c2c(C)[nH]c3ccccc32)cc1-c1nnn[n-]1 ZINC000737081298 599154856 /nfs/dbraw/zinc/15/48/56/599154856.db2.gz MVEVXGFNAHUOQF-CLFYSBASSA-N -1 3 359.389 3.561 20 30 FHEDHM COc1ccc(C=CC(=O)c2c(C)[nH]c3ccccc32)cc1-c1nn[n-]n1 ZINC000737081298 599154858 /nfs/dbraw/zinc/15/48/58/599154858.db2.gz MVEVXGFNAHUOQF-CLFYSBASSA-N -1 3 359.389 3.561 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccccc2C)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737424201 599158458 /nfs/dbraw/zinc/15/84/58/599158458.db2.gz TUSNAYJEKABVGS-XFXZXTDPSA-N -1 3 370.416 3.565 20 30 FHEDHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735922638 599193523 /nfs/dbraw/zinc/19/35/23/599193523.db2.gz GFCKUNSLXATSLR-PKOBYXMFSA-N -1 3 372.432 3.604 20 30 FHEDHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735922638 599193525 /nfs/dbraw/zinc/19/35/25/599193525.db2.gz GFCKUNSLXATSLR-PKOBYXMFSA-N -1 3 372.432 3.604 20 30 FHEDHM C[C@@H](Sc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc(C#N)cc1 ZINC000736190458 599286943 /nfs/dbraw/zinc/28/69/43/599286943.db2.gz FLTCSDKJOLWTMN-GFCCVEGCSA-N -1 3 362.462 3.865 20 30 FHEDHM C[C@@H](Sc1nc2c(cc1-c1nn[n-]n1)CCCC2)c1ccc(C#N)cc1 ZINC000736190458 599286944 /nfs/dbraw/zinc/28/69/44/599286944.db2.gz FLTCSDKJOLWTMN-GFCCVEGCSA-N -1 3 362.462 3.865 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000737797957 598492701 /nfs/dbraw/zinc/49/27/01/598492701.db2.gz SRJAHRKBIOZNHW-TWGQIWQCSA-N -1 3 360.295 3.661 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000737797957 598492702 /nfs/dbraw/zinc/49/27/02/598492702.db2.gz SRJAHRKBIOZNHW-TWGQIWQCSA-N -1 3 360.295 3.661 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735503076 598503276 /nfs/dbraw/zinc/50/32/76/598503276.db2.gz IUEYTJFUHPOFKZ-CYBMUJFWSA-N -1 3 350.451 3.731 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735503076 598503277 /nfs/dbraw/zinc/50/32/77/598503277.db2.gz IUEYTJFUHPOFKZ-CYBMUJFWSA-N -1 3 350.451 3.731 20 30 FHEDHM Cc1c(C(=O)C=Cc2c(C)cc(C)cc2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737246989 598639640 /nfs/dbraw/zinc/63/96/40/598639640.db2.gz RBXAYMSODQMUTE-FPLPWBNLSA-N -1 3 361.449 3.744 20 30 FHEDHM Cc1c(C(=O)C=Cc2c(C)cc(C)cc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737246989 598639641 /nfs/dbraw/zinc/63/96/41/598639641.db2.gz RBXAYMSODQMUTE-FPLPWBNLSA-N -1 3 361.449 3.744 20 30 FHEDHM CC(=NOCc1ccc(F)cc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC000735458356 598674112 /nfs/dbraw/zinc/67/41/12/598674112.db2.gz LQKJBBKAKHWBFH-UHFFFAOYSA-N -1 3 351.341 3.693 20 30 FHEDHM CC(=NOCc1ccc(F)cc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC000735458356 598674113 /nfs/dbraw/zinc/67/41/13/598674113.db2.gz LQKJBBKAKHWBFH-UHFFFAOYSA-N -1 3 351.341 3.693 20 30 FHEDHM Fc1ccc(CON=Cc2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000737650345 598674877 /nfs/dbraw/zinc/67/48/77/598674877.db2.gz QTHICVVQFJHXFM-UHFFFAOYSA-N -1 3 365.290 3.575 20 30 FHEDHM Fc1ccc(CON=Cc2ccccc2C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000737650345 598674880 /nfs/dbraw/zinc/67/48/80/598674880.db2.gz QTHICVVQFJHXFM-UHFFFAOYSA-N -1 3 365.290 3.575 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3cccc(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000737120174 598787626 /nfs/dbraw/zinc/78/76/26/598787626.db2.gz LFPGGMPPDRUQFU-SOFGYWHQSA-N -1 3 360.373 3.826 20 30 FHEDHM COc1ccc2oc(C(=O)C=Cc3cccc(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000737120174 598787627 /nfs/dbraw/zinc/78/76/27/598787627.db2.gz LFPGGMPPDRUQFU-SOFGYWHQSA-N -1 3 360.373 3.826 20 30 FHEDHM C=CCC[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734816 607404879 /nfs/dbraw/zinc/40/48/79/607404879.db2.gz UQHVLUATFLBUFB-LJQANCHMSA-N -1 3 361.449 3.623 20 30 FHEDHM C=CCC[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734816 607404881 /nfs/dbraw/zinc/40/48/81/607404881.db2.gz UQHVLUATFLBUFB-LJQANCHMSA-N -1 3 361.449 3.623 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2cc(O)ccc2c1 ZINC000822924269 607460875 /nfs/dbraw/zinc/46/08/75/607460875.db2.gz ZRMHDCXXLIXEQY-SOFGYWHQSA-N -1 3 360.348 3.761 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2cc(O)ccc2c1 ZINC000822924269 607460877 /nfs/dbraw/zinc/46/08/77/607460877.db2.gz ZRMHDCXXLIXEQY-SOFGYWHQSA-N -1 3 360.348 3.761 20 30 FHEDHM CC(C)c1ccc([C@@H](C)NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820192175 607464664 /nfs/dbraw/zinc/46/46/64/607464664.db2.gz FZBKZTVKMMOFEP-CYBMUJFWSA-N -1 3 352.417 3.814 20 30 FHEDHM CC(C)c1ccc([C@@H](C)NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820192175 607464665 /nfs/dbraw/zinc/46/46/65/607464665.db2.gz FZBKZTVKMMOFEP-CYBMUJFWSA-N -1 3 352.417 3.814 20 30 FHEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC000827710204 601560423 /nfs/dbraw/zinc/56/04/23/601560423.db2.gz OCPZHXXGEZALLN-MEDUHNTESA-N -1 3 364.323 3.933 20 30 FHEDHM COc1ccc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826207683 607535669 /nfs/dbraw/zinc/53/56/69/607535669.db2.gz YBOLKDLRSCLDHH-LBPRGKRZSA-N -1 3 351.435 3.741 20 30 FHEDHM COc1ccc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826207683 607535671 /nfs/dbraw/zinc/53/56/71/607535671.db2.gz YBOLKDLRSCLDHH-LBPRGKRZSA-N -1 3 351.435 3.741 20 30 FHEDHM COc1ccc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826207682 607536018 /nfs/dbraw/zinc/53/60/18/607536018.db2.gz YBOLKDLRSCLDHH-GFCCVEGCSA-N -1 3 351.435 3.741 20 30 FHEDHM COc1ccc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826207682 607536020 /nfs/dbraw/zinc/53/60/20/607536020.db2.gz YBOLKDLRSCLDHH-GFCCVEGCSA-N -1 3 351.435 3.741 20 30 FHEDHM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1nc2ccccc2[nH]1 ZINC000740304543 602670043 /nfs/dbraw/zinc/67/00/43/602670043.db2.gz WGMJQFWHWQFFTP-GJZGRUSLSA-N -1 3 362.389 3.528 20 30 FHEDHM N#CCC[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000826381602 607679135 /nfs/dbraw/zinc/67/91/35/607679135.db2.gz RKJPZJUVFMUXAY-QGZVFWFLSA-N -1 3 355.405 3.872 20 30 FHEDHM N#CCC[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000826381602 607679136 /nfs/dbraw/zinc/67/91/36/607679136.db2.gz RKJPZJUVFMUXAY-QGZVFWFLSA-N -1 3 355.405 3.872 20 30 FHEDHM C[C@@H](Oc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1)C(=O)[O-] ZINC000833537422 604531677 /nfs/dbraw/zinc/53/16/77/604531677.db2.gz KJQHNGNCXHMVDX-OAHLLOKOSA-N -1 3 350.418 3.575 20 30 FHEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(C#N)cc2Br)C1 ZINC000833418895 605380823 /nfs/dbraw/zinc/38/08/23/605380823.db2.gz CEHZSBSPUPSWKT-CQSZACIVSA-N -1 3 365.271 3.644 20 30 FHEDHM N#Cc1ccc(CN[C@H](c2ccc(F)cc2)C2CCN(C(=O)[O-])CC2)cc1 ZINC000833971815 605982233 /nfs/dbraw/zinc/98/22/33/605982233.db2.gz OPRKKQZIAXZHKF-HXUWFJFHSA-N -1 3 367.424 3.918 20 30 FHEDHM N#Cc1csc(C=C2CCC(=Cc3cc(-c4nnn[n-]4)cs3)C2=O)c1 ZINC000822846243 606303115 /nfs/dbraw/zinc/30/31/15/606303115.db2.gz RIYFSJTZOQIIMM-JLYPQOKGSA-N -1 3 365.443 3.691 20 30 FHEDHM N#Cc1csc(C=C2CCC(=Cc3cc(-c4nn[n-]n4)cs3)C2=O)c1 ZINC000822846243 606303116 /nfs/dbraw/zinc/30/31/16/606303116.db2.gz RIYFSJTZOQIIMM-JLYPQOKGSA-N -1 3 365.443 3.691 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822423702 606305519 /nfs/dbraw/zinc/30/55/19/606305519.db2.gz NAXKEIPCEJTSPK-AATRIKPKSA-N -1 3 359.480 3.887 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822423702 606305521 /nfs/dbraw/zinc/30/55/21/606305521.db2.gz NAXKEIPCEJTSPK-AATRIKPKSA-N -1 3 359.480 3.887 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1c[nH]c2cc(Cl)ccc12 ZINC000822923011 606306288 /nfs/dbraw/zinc/30/62/88/606306288.db2.gz MNWHVOQGIPUAKE-DUXPYHPUSA-N -1 3 355.810 3.959 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1c[nH]c2cc(Cl)ccc12 ZINC000822923011 606306290 /nfs/dbraw/zinc/30/62/90/606306290.db2.gz MNWHVOQGIPUAKE-DUXPYHPUSA-N -1 3 355.810 3.959 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000822922929 606391549 /nfs/dbraw/zinc/39/15/49/606391549.db2.gz LCFYGSMHQMVPQW-ALCCZGGFSA-N -1 3 366.324 3.723 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1OC(F)F ZINC000822922700 606392752 /nfs/dbraw/zinc/39/27/52/606392752.db2.gz IPFPLPYRDNCLDC-DJWKRKHSSA-N -1 3 366.324 3.565 20 30 FHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CCO2 ZINC000822195214 606836131 /nfs/dbraw/zinc/83/61/31/606836131.db2.gz KELNUDKTAOVQQN-FMIVXFBMSA-N -1 3 352.419 3.594 20 30 FHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CCO2 ZINC000822195543 606836217 /nfs/dbraw/zinc/83/62/17/606836217.db2.gz VINQMPRMIWZRRB-KPKJPENVSA-N -1 3 352.419 3.594 20 30 FHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CCO2 ZINC000822195543 606836219 /nfs/dbraw/zinc/83/62/19/606836219.db2.gz VINQMPRMIWZRRB-KPKJPENVSA-N -1 3 352.419 3.594 20 30 FHEDHM N#Cc1cccc(OCCCSCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822837874 606841679 /nfs/dbraw/zinc/84/16/79/606841679.db2.gz WMUFCVRVQTVRIP-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM N#Cc1cccc(OCCCSCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822837874 606841681 /nfs/dbraw/zinc/84/16/81/606841681.db2.gz WMUFCVRVQTVRIP-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C)CCCCC1 ZINC000819743534 606871868 /nfs/dbraw/zinc/87/18/68/606871868.db2.gz LIEWLOVGVRBTJF-UHFFFAOYSA-N -1 3 368.485 3.535 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C)CCCCC1 ZINC000819743534 606871869 /nfs/dbraw/zinc/87/18/69/606871869.db2.gz LIEWLOVGVRBTJF-UHFFFAOYSA-N -1 3 368.485 3.535 20 30 FHEDHM C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456915 606920202 /nfs/dbraw/zinc/92/02/02/606920202.db2.gz XCBQMUMPKYWWCX-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456915 606920204 /nfs/dbraw/zinc/92/02/04/606920204.db2.gz XCBQMUMPKYWWCX-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM C=CCC(CC=C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000819735054 607006419 /nfs/dbraw/zinc/00/64/19/607006419.db2.gz ZTBZDPYMBKVOIB-NSHDSACASA-N -1 3 357.483 3.760 20 30 FHEDHM C=CCC(CC=C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000819735054 607006421 /nfs/dbraw/zinc/00/64/21/607006421.db2.gz ZTBZDPYMBKVOIB-NSHDSACASA-N -1 3 357.483 3.760 20 30 FHEDHM Cc1c(C(=O)C=Cc2cccc(Cl)c2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015332 607111259 /nfs/dbraw/zinc/11/12/59/607111259.db2.gz INXWUXNABLAJNC-FPLPWBNLSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1c(C(=O)C=Cc2cccc(Cl)c2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015332 607111261 /nfs/dbraw/zinc/11/12/61/607111261.db2.gz INXWUXNABLAJNC-FPLPWBNLSA-N -1 3 371.803 3.611 20 30 FHEDHM C=CCN(Cc1cccs1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819745971 607197967 /nfs/dbraw/zinc/19/79/67/607197967.db2.gz XDNFELMCWAIAID-UHFFFAOYSA-N -1 3 374.857 3.802 20 30 FHEDHM C=CCN(Cc1cccs1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819745971 607197968 /nfs/dbraw/zinc/19/79/68/607197968.db2.gz XDNFELMCWAIAID-UHFFFAOYSA-N -1 3 374.857 3.802 20 30 FHEDHM COc1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1C#N ZINC000826208224 607845681 /nfs/dbraw/zinc/84/56/81/607845681.db2.gz ZMLCDJDWKPRIGX-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1C#N ZINC000826208224 607845682 /nfs/dbraw/zinc/84/56/82/607845682.db2.gz ZMLCDJDWKPRIGX-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc12 ZINC000826187303 607884192 /nfs/dbraw/zinc/88/41/92/607884192.db2.gz KJENZFZIVDYGSX-ZRDIBKRKSA-N -1 3 356.385 3.925 20 30 FHEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc12 ZINC000826187303 607884193 /nfs/dbraw/zinc/88/41/93/607884193.db2.gz KJENZFZIVDYGSX-ZRDIBKRKSA-N -1 3 356.385 3.925 20 30 FHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476818 607885027 /nfs/dbraw/zinc/88/50/27/607885027.db2.gz PSLXWFIKRWEOHL-YFHOEESVSA-N -1 3 357.200 3.996 20 30 FHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476818 607885028 /nfs/dbraw/zinc/88/50/28/607885028.db2.gz PSLXWFIKRWEOHL-YFHOEESVSA-N -1 3 357.200 3.996 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)C1CCCC1 ZINC000823910023 607962152 /nfs/dbraw/zinc/96/21/52/607962152.db2.gz WHNLXUVAVJBKEA-UHFFFAOYSA-N -1 3 353.470 3.598 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)C1CCCC1 ZINC000823910023 607962153 /nfs/dbraw/zinc/96/21/53/607962153.db2.gz WHNLXUVAVJBKEA-UHFFFAOYSA-N -1 3 353.470 3.598 20 30 FHEDHM COc1ccc(CON=C(C)c2cc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000826206918 607972032 /nfs/dbraw/zinc/97/20/32/607972032.db2.gz RAKZZXJCTDKKEB-UHFFFAOYSA-N -1 3 363.377 3.562 20 30 FHEDHM COc1ccc(CON=C(C)c2cc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000826206918 607972033 /nfs/dbraw/zinc/97/20/33/607972033.db2.gz RAKZZXJCTDKKEB-UHFFFAOYSA-N -1 3 363.377 3.562 20 30 FHEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cccc(OCCCC#N)c1 ZINC000825782367 607975989 /nfs/dbraw/zinc/97/59/89/607975989.db2.gz FLBGDKBLUVOFOA-UHFFFAOYSA-N -1 3 373.420 3.586 20 30 FHEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc(OCCCC#N)c1 ZINC000825782367 607975990 /nfs/dbraw/zinc/97/59/90/607975990.db2.gz FLBGDKBLUVOFOA-UHFFFAOYSA-N -1 3 373.420 3.586 20 30 FHEDHM C=C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC)c1ccccc1 ZINC000823883040 607978342 /nfs/dbraw/zinc/97/83/42/607978342.db2.gz JCJMWGBAOKZNDC-CQSZACIVSA-N -1 3 363.421 3.564 20 30 FHEDHM C=C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC)c1ccccc1 ZINC000823883040 607978343 /nfs/dbraw/zinc/97/83/43/607978343.db2.gz JCJMWGBAOKZNDC-CQSZACIVSA-N -1 3 363.421 3.564 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823883218 608006060 /nfs/dbraw/zinc/00/60/60/608006060.db2.gz LARTVRPOJNQDHU-LBPRGKRZSA-N -1 3 353.813 3.819 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823883218 608006061 /nfs/dbraw/zinc/00/60/61/608006061.db2.gz LARTVRPOJNQDHU-LBPRGKRZSA-N -1 3 353.813 3.819 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C)cc(C)cc1C ZINC000823914788 608061804 /nfs/dbraw/zinc/06/18/04/608061804.db2.gz NOAFGZXIJUBMPT-UHFFFAOYSA-N -1 3 361.449 3.620 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(C)cc(C)cc1C ZINC000823914788 608061805 /nfs/dbraw/zinc/06/18/05/608061805.db2.gz NOAFGZXIJUBMPT-UHFFFAOYSA-N -1 3 361.449 3.620 20 30 FHEDHM COc1ccc(-c2nnn[n-]2)cc1CON=C(C)c1cc2ccccc2o1 ZINC000826184745 608150505 /nfs/dbraw/zinc/15/05/05/608150505.db2.gz JBXKVMGFBCSNGG-UHFFFAOYSA-N -1 3 363.377 3.562 20 30 FHEDHM COc1ccc(-c2nn[n-]n2)cc1CON=C(C)c1cc2ccccc2o1 ZINC000826184745 608150506 /nfs/dbraw/zinc/15/05/06/608150506.db2.gz JBXKVMGFBCSNGG-UHFFFAOYSA-N -1 3 363.377 3.562 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(Cl)c(F)c2)cc1-c1nnn[n-]1 ZINC000826191199 608229146 /nfs/dbraw/zinc/22/91/46/608229146.db2.gz ZVIDGKOIDLMFDQ-KXFIGUGUSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(Cl)c(F)c2)cc1-c1nn[n-]n1 ZINC000826191199 608229148 /nfs/dbraw/zinc/22/91/48/608229148.db2.gz ZVIDGKOIDLMFDQ-KXFIGUGUSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1cc(-c2nnn[n-]2)ccc1CON=C(C)c1cc2ccccc2o1 ZINC000826173069 608323987 /nfs/dbraw/zinc/32/39/87/608323987.db2.gz LTGDZOJYLJMLIP-UHFFFAOYSA-N -1 3 363.377 3.562 20 30 FHEDHM COc1cc(-c2nn[n-]n2)ccc1CON=C(C)c1cc2ccccc2o1 ZINC000826173069 608323989 /nfs/dbraw/zinc/32/39/89/608323989.db2.gz LTGDZOJYLJMLIP-UHFFFAOYSA-N -1 3 363.377 3.562 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475505 608388048 /nfs/dbraw/zinc/38/80/48/608388048.db2.gz IGSUTXAXMSCWCE-UITAMQMPSA-N -1 3 358.810 3.630 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475505 608388050 /nfs/dbraw/zinc/38/80/50/608388050.db2.gz IGSUTXAXMSCWCE-UITAMQMPSA-N -1 3 358.810 3.630 20 30 FHEDHM N#Cc1ccc(C2=CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)cc1 ZINC000826384557 608442280 /nfs/dbraw/zinc/44/22/80/608442280.db2.gz ABZZAKIEMCCKJZ-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM N#Cc1ccc(C2=CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)cc1 ZINC000826384557 608442282 /nfs/dbraw/zinc/44/22/82/608442282.db2.gz ABZZAKIEMCCKJZ-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM CCSc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000825674019 608534018 /nfs/dbraw/zinc/53/40/18/608534018.db2.gz FEHBBHPNNYODNS-UHFFFAOYSA-N -1 3 373.873 3.863 20 30 FHEDHM CCSc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000825674019 608534019 /nfs/dbraw/zinc/53/40/19/608534019.db2.gz FEHBBHPNNYODNS-UHFFFAOYSA-N -1 3 373.873 3.863 20 30 FHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCC[C@H]2c2ccccc2)n1 ZINC000826350487 608538150 /nfs/dbraw/zinc/53/81/50/608538150.db2.gz YOOUYOSKOGCEAT-ZDUSSCGKSA-N -1 3 353.817 3.651 20 30 FHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCC[C@H]2c2ccccc2)n1 ZINC000826350487 608538151 /nfs/dbraw/zinc/53/81/51/608538151.db2.gz YOOUYOSKOGCEAT-ZDUSSCGKSA-N -1 3 353.817 3.651 20 30 FHEDHM CC(=NNc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958228 609160754 /nfs/dbraw/zinc/16/07/54/609160754.db2.gz GHVPSHRTKKOVHQ-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM CC(=NNc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958228 609160755 /nfs/dbraw/zinc/16/07/55/609160755.db2.gz GHVPSHRTKKOVHQ-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM CC(C)Oc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000824334464 609270140 /nfs/dbraw/zinc/27/01/40/609270140.db2.gz UZJSOCWJKGWRDW-NTMALXAHSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000824334464 609270142 /nfs/dbraw/zinc/27/01/42/609270142.db2.gz UZJSOCWJKGWRDW-NTMALXAHSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000824333413 609271136 /nfs/dbraw/zinc/27/11/36/609271136.db2.gz JJMQWAIPDSVAET-TWGQIWQCSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000824333413 609271137 /nfs/dbraw/zinc/27/11/37/609271137.db2.gz JJMQWAIPDSVAET-TWGQIWQCSA-N -1 3 352.369 3.689 20 30 FHEDHM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825416554 609271864 /nfs/dbraw/zinc/27/18/64/609271864.db2.gz KFHVWELFEWGSKQ-GHXNOFRVSA-N -1 3 365.412 3.748 20 30 FHEDHM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825416554 609271866 /nfs/dbraw/zinc/27/18/66/609271866.db2.gz KFHVWELFEWGSKQ-GHXNOFRVSA-N -1 3 365.412 3.748 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826292160 609272155 /nfs/dbraw/zinc/27/21/55/609272155.db2.gz KKETUQOMNGGECB-XQRVVYSFSA-N -1 3 374.322 3.812 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826292160 609272157 /nfs/dbraw/zinc/27/21/57/609272157.db2.gz KKETUQOMNGGECB-XQRVVYSFSA-N -1 3 374.322 3.812 20 30 FHEDHM O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400923 609273143 /nfs/dbraw/zinc/27/31/43/609273143.db2.gz LDICWCAWWDURSA-QPJJXVBHSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400923 609273144 /nfs/dbraw/zinc/27/31/44/609273144.db2.gz LDICWCAWWDURSA-QPJJXVBHSA-N -1 3 362.286 3.921 20 30 FHEDHM C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824530293 609343607 /nfs/dbraw/zinc/34/36/07/609343607.db2.gz KONCDTYBGZIXEV-UGSOOPFHSA-N -1 3 350.401 3.701 20 30 FHEDHM C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824530293 609343609 /nfs/dbraw/zinc/34/36/09/609343609.db2.gz KONCDTYBGZIXEV-UGSOOPFHSA-N -1 3 350.401 3.701 20 30 FHEDHM COc1ccc(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000826187769 609471840 /nfs/dbraw/zinc/47/18/40/609471840.db2.gz DTNJBOAJESDCHX-UHFFFAOYSA-N -1 3 360.780 3.504 20 30 FHEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000826187769 609471842 /nfs/dbraw/zinc/47/18/42/609471842.db2.gz DTNJBOAJESDCHX-UHFFFAOYSA-N -1 3 360.780 3.504 20 30 FHEDHM Cc1noc(CSc2ccc(C([O-])=C(C#N)c3ccccn3)cc2)n1 ZINC000049456820 927074212 /nfs/dbraw/zinc/07/42/12/927074212.db2.gz BFZRGABRBFSOFN-OAHLLOKOSA-N -1 3 350.403 3.555 20 30 FHEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)ccc1F ZINC000728185140 927371041 /nfs/dbraw/zinc/37/10/41/927371041.db2.gz HLEAYAWZQNEXNR-UHFFFAOYSA-N -1 3 360.410 3.820 20 30 FHEDHM COCC[S@@](=O)Cc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255031500 929350851 /nfs/dbraw/zinc/35/08/51/929350851.db2.gz JGEXEEJCCFSYST-HSZRJFAPSA-N -1 3 351.855 3.691 20 30 FHEDHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(C#N)c1 ZINC000610338560 930028325 /nfs/dbraw/zinc/02/83/25/930028325.db2.gz GVVFRQLPOCWPMG-MRVPVSSYSA-N -1 3 361.275 3.966 20 30 FHEDHM N#CC(=C([O-])c1cnn(-c2ccccc2Cl)c1)c1nc2ccccc2[nH]1 ZINC000050205023 930610283 /nfs/dbraw/zinc/61/02/83/930610283.db2.gz PKOYTGROAIPEKZ-ZDUSSCGKSA-N -1 3 361.792 3.892 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000047900623 930641347 /nfs/dbraw/zinc/64/13/47/930641347.db2.gz JWADRKJLWGFHEX-HXUWFJFHSA-N -1 3 365.477 3.700 20 30 FHEDHM COc1cc(C(=O)/C=C/c2cccc(OC(F)F)c2)c(OC)cc1[O-] ZINC000177906850 931557488 /nfs/dbraw/zinc/55/74/88/931557488.db2.gz USYYARUEDPGLPL-VOTSOKGWSA-N -1 3 350.317 3.907 20 30 FHEDHM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000255297919 931900623 /nfs/dbraw/zinc/90/06/23/931900623.db2.gz UYEDAFAQJSAGDA-UHFFFAOYSA-N -1 3 371.462 3.642 20 30 FHEDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nc(-c2ccccc2)cs1 ZINC000157345235 932377897 /nfs/dbraw/zinc/37/78/97/932377897.db2.gz MSDIXMMWIWKAAL-CYBMUJFWSA-N -1 3 369.471 3.721 20 30 FHEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000471793524 932938289 /nfs/dbraw/zinc/93/82/89/932938289.db2.gz NODDGOBFTJLDKH-GFCCVEGCSA-N -1 3 358.394 3.792 20 30 FHEDHM Cc1c(C#N)cccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000178548867 935392217 /nfs/dbraw/zinc/39/22/17/935392217.db2.gz MFFZDSWFWSWHIM-UHFFFAOYSA-N -1 3 360.211 3.657 20 30 FHEDHM C/C=C\c1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(OC)c1 ZINC000255512446 935827182 /nfs/dbraw/zinc/82/71/82/935827182.db2.gz AZGQGIPDXWAQQM-WAYWQWQTSA-N -1 3 366.417 3.856 20 30 FHEDHM COc1cc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3C)cc(Cl)c1[O-] ZINC000255518685 935929011 /nfs/dbraw/zinc/92/90/11/935929011.db2.gz WRIWDDFWIHQQEG-CLTKARDFSA-N -1 3 371.820 3.859 20 30 FHEDHM N#CC(=C([O-])c1cccc2cccc(Br)c21)c1ccncn1 ZINC000560579302 936082296 /nfs/dbraw/zinc/08/22/96/936082296.db2.gz FEVZARLENLSYCW-ZDUSSCGKSA-N -1 3 352.191 3.882 20 30 FHEDHM O=C(c1cccc(N=Cc2ccc(O)c([O-])c2O)c1)N1CCc2ccccc21 ZINC000255551632 936154031 /nfs/dbraw/zinc/15/40/31/936154031.db2.gz CTOLOCPJJDIHJR-UHFFFAOYSA-N -1 3 374.396 3.757 20 30 FHEDHM N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000132674986 938535234 /nfs/dbraw/zinc/53/52/34/938535234.db2.gz ZCPYZQJBHFWWHB-UHFFFAOYSA-N -1 3 366.348 3.505 20 30 FHEDHM N#CC(=C([O-])c1ccc(NC(=O)C2CC2)cc1)c1nc(C2CC2)cs1 ZINC000647372652 939066039 /nfs/dbraw/zinc/06/60/39/939066039.db2.gz RAJRLXYBLGJCMY-OAHLLOKOSA-N -1 3 351.431 3.859 20 30 FHEDHM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000892499196 940090905 /nfs/dbraw/zinc/09/09/05/940090905.db2.gz UAGLVRHJWPUCFH-LBPRGKRZSA-N -1 3 374.803 3.662 20 30 FHEDHM N#C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Br)cc1 ZINC000431782032 940494721 /nfs/dbraw/zinc/49/47/21/940494721.db2.gz BYEPBKJCOYZINS-CQSZACIVSA-N -1 3 365.614 3.803 20 30 FHEDHM N#Cc1cccc([C@H]2CN(C(=O)c3cc([O-])c4ccccc4c3)CCO2)c1 ZINC000376536686 941119913 /nfs/dbraw/zinc/11/99/13/941119913.db2.gz ZAHCCSNLQUYBIY-OAQYLSRUSA-N -1 3 358.397 3.631 20 30 FHEDHM N#CC1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCSCC1 ZINC000179992925 941349060 /nfs/dbraw/zinc/34/90/60/941349060.db2.gz IMYABJVYICNVAT-UHFFFAOYSA-N -1 3 354.431 3.704 20 30 FHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cccc(F)c2o1 ZINC000122895439 942454531 /nfs/dbraw/zinc/45/45/31/942454531.db2.gz JVNKOTIVRLGJCZ-CYBMUJFWSA-N -1 3 366.348 3.932 20 30 FHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000162314717 942881841 /nfs/dbraw/zinc/88/18/41/942881841.db2.gz MGAXAIRMIHMKHK-NCUOGEFLSA-N -1 3 350.256 3.921 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000047900620 942991625 /nfs/dbraw/zinc/99/16/25/942991625.db2.gz JWADRKJLWGFHEX-FQEVSTJZSA-N -1 3 365.477 3.700 20 30 FHEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1 ZINC000435128059 943182270 /nfs/dbraw/zinc/18/22/70/943182270.db2.gz BIOLCJAEIKAJST-UHFFFAOYSA-N -1 3 360.435 3.545 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CC(F)(c3cccc(Cl)c3)C2)s1 ZINC000435434072 943397738 /nfs/dbraw/zinc/39/77/38/943397738.db2.gz WDWJBXQYHAVHAL-UHFFFAOYSA-N -1 3 370.858 3.579 20 30 FHEDHM C=CCc1cc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc(OC)c1O ZINC000426747545 944766210 /nfs/dbraw/zinc/76/62/10/944766210.db2.gz QBLUFOVTWYBQAN-LJQANCHMSA-N -1 3 355.434 3.662 20 30 FHEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000140367254 944846636 /nfs/dbraw/zinc/84/66/36/944846636.db2.gz CPETWJQCCVYKSS-SNVBAGLBSA-N -1 3 365.817 3.768 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(OC(F)(F)F)c1 ZINC000822924196 946220794 /nfs/dbraw/zinc/22/07/94/946220794.db2.gz YSZXMWAZYABLDD-SNAWJCMRSA-N -1 3 366.324 3.723 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(OC(F)(F)F)c1 ZINC000822924196 946220806 /nfs/dbraw/zinc/22/08/06/946220806.db2.gz YSZXMWAZYABLDD-SNAWJCMRSA-N -1 3 366.324 3.723 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823498720 946440103 /nfs/dbraw/zinc/44/01/03/946440103.db2.gz ZFRRZJJHOGVBRY-UITAMQMPSA-N -1 3 358.810 3.630 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823498720 946440108 /nfs/dbraw/zinc/44/01/08/946440108.db2.gz ZFRRZJJHOGVBRY-UITAMQMPSA-N -1 3 358.810 3.630 20 30 FHEDHM C=CCCC[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000823894475 946504301 /nfs/dbraw/zinc/50/43/01/946504301.db2.gz REEBICBRZJKEQM-HNNXBMFYSA-N -1 3 356.474 3.532 20 30 FHEDHM C=CCCC[C@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000823894475 946504310 /nfs/dbraw/zinc/50/43/10/946504310.db2.gz REEBICBRZJKEQM-HNNXBMFYSA-N -1 3 356.474 3.532 20 30 FHEDHM CC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823962943 946527316 /nfs/dbraw/zinc/52/73/16/946527316.db2.gz TUNBTRCUOZAGFD-UHFFFAOYSA-N -1 3 367.356 3.888 20 30 FHEDHM N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000475362030 946953987 /nfs/dbraw/zinc/95/39/87/946953987.db2.gz RQGJJOIRMYRYAN-LJQANCHMSA-N -1 3 359.832 3.567 20 30 FHEDHM C=C(C)CCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573293672 946964630 /nfs/dbraw/zinc/96/46/30/946964630.db2.gz FVVKCXKVDFQQGA-UHFFFAOYSA-N -1 3 350.378 3.921 20 30 FHEDHM C=C(C)CCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573293672 946964636 /nfs/dbraw/zinc/96/46/36/946964636.db2.gz FVVKCXKVDFQQGA-UHFFFAOYSA-N -1 3 350.378 3.921 20 30 FHEDHM C=C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC)c1ccccc1 ZINC001573300754 947120519 /nfs/dbraw/zinc/12/05/19/947120519.db2.gz NDEIICRETSOLIB-INIZCTEOSA-N -1 3 362.437 3.597 20 30 FHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccnc(OCc2ccccc2)c1 ZINC000121292828 947290361 /nfs/dbraw/zinc/29/03/61/947290361.db2.gz KWXSUCDZOVAARI-LJQANCHMSA-N -1 3 371.396 3.622 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](CC)C(C)(C)C ZINC001573342252 947539082 /nfs/dbraw/zinc/53/90/82/947539082.db2.gz VVJKPPGCWPJYCG-QGZVFWFLSA-N -1 3 355.486 3.844 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](CC)C(C)(C)C ZINC001573342252 947539090 /nfs/dbraw/zinc/53/90/90/947539090.db2.gz VVJKPPGCWPJYCG-QGZVFWFLSA-N -1 3 355.486 3.844 20 30 FHEDHM COc1cc(C#N)ccc1CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826177039 947551425 /nfs/dbraw/zinc/55/14/25/947551425.db2.gz PBLGFQKNBUYCKF-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1cc(C#N)ccc1CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826177039 947551428 /nfs/dbraw/zinc/55/14/28/947551428.db2.gz PBLGFQKNBUYCKF-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(F)c(Cl)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234362 947687538 /nfs/dbraw/zinc/68/75/38/947687538.db2.gz SFIZUEQNDRMHQM-FNORWQNLSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(F)c(Cl)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234362 947687541 /nfs/dbraw/zinc/68/75/41/947687541.db2.gz SFIZUEQNDRMHQM-FNORWQNLSA-N -1 3 371.803 3.611 20 30 FHEDHM N#CC(=C([O-])c1ccc(Oc2ccccc2)nc1)c1nnc2n1CCCCC2 ZINC000603627415 568127474 /nfs/dbraw/zinc/12/74/74/568127474.db2.gz JHHMWDLAKIBRMJ-QGZVFWFLSA-N -1 3 373.416 3.682 20 30 FHEDHM N#Cc1nnc2ccccc2c1NCc1ccc([O-])c(Br)c1 ZINC000482090738 568258644 /nfs/dbraw/zinc/25/86/44/568258644.db2.gz ROXOUTFFJQSPAK-UHFFFAOYSA-N -1 3 355.195 3.582 20 30 FHEDHM N#CC(=C([O-])c1cnn2ccccc12)c1nc2ccccc2n1C(F)F ZINC000604929682 568397893 /nfs/dbraw/zinc/39/78/93/568397893.db2.gz NDKYMKJFLHQJGG-LLVKDONJSA-N -1 3 351.316 3.569 20 30 FHEDHM CC(C)n1cc(C(=O)[N-]c2sc3c(c2C#N)-c2ccccc2CC3)nn1 ZINC000570539078 568485618 /nfs/dbraw/zinc/48/56/18/568485618.db2.gz CHMHMXYVTVMLNC-UHFFFAOYSA-N -1 3 363.446 3.810 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738291169 598862287 /nfs/dbraw/zinc/86/22/87/598862287.db2.gz TUZJNSQHWXVLDK-JLHYYAGUSA-N -1 3 352.781 3.569 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738291169 598862289 /nfs/dbraw/zinc/86/22/89/598862289.db2.gz TUZJNSQHWXVLDK-JLHYYAGUSA-N -1 3 352.781 3.569 20 30 FHEDHM N#Cc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1C(F)(F)F ZINC000822832949 599073904 /nfs/dbraw/zinc/07/39/04/599073904.db2.gz JVDNDSMWUGQKFC-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM N#Cc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1C(F)(F)F ZINC000822832949 599073905 /nfs/dbraw/zinc/07/39/05/599073905.db2.gz JVDNDSMWUGQKFC-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM CC(C)C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735758325 599195182 /nfs/dbraw/zinc/19/51/82/599195182.db2.gz ZOSZFPZQLKUKAP-GOSISDBHSA-N -1 3 360.421 3.507 20 30 FHEDHM CC(C)C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735758325 599195185 /nfs/dbraw/zinc/19/51/85/599195185.db2.gz ZOSZFPZQLKUKAP-GOSISDBHSA-N -1 3 360.421 3.507 20 30 FHEDHM CC(C)C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000735755580 599195640 /nfs/dbraw/zinc/19/56/40/599195640.db2.gz HEDQWVAYXICFCP-GOSISDBHSA-N -1 3 360.421 3.507 20 30 FHEDHM CC(C)C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000735755580 599195642 /nfs/dbraw/zinc/19/56/42/599195642.db2.gz HEDQWVAYXICFCP-GOSISDBHSA-N -1 3 360.421 3.507 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(C(C)C)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201370 598378611 /nfs/dbraw/zinc/37/86/11/598378611.db2.gz DDKONIYJFAZVLF-FLIBITNWSA-N -1 3 361.449 3.942 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(C(C)C)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201370 598378613 /nfs/dbraw/zinc/37/86/13/598378613.db2.gz DDKONIYJFAZVLF-FLIBITNWSA-N -1 3 361.449 3.942 20 30 FHEDHM C=CCOc1ccc(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)cc1 ZINC000735436961 598514313 /nfs/dbraw/zinc/51/43/13/598514313.db2.gz ALTGMWYHXAXXQZ-UHFFFAOYSA-N -1 3 369.450 3.616 20 30 FHEDHM C=CCOc1ccc(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)cc1 ZINC000735436961 598514315 /nfs/dbraw/zinc/51/43/15/598514315.db2.gz ALTGMWYHXAXXQZ-UHFFFAOYSA-N -1 3 369.450 3.616 20 30 FHEDHM FC(F)Oc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737638669 598582248 /nfs/dbraw/zinc/58/22/48/598582248.db2.gz JLOCQUOPHJOMHR-UHFFFAOYSA-N -1 3 364.743 3.568 20 30 FHEDHM FC(F)Oc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737638669 598582250 /nfs/dbraw/zinc/58/22/50/598582250.db2.gz JLOCQUOPHJOMHR-UHFFFAOYSA-N -1 3 364.743 3.568 20 30 FHEDHM N#Cc1ccccc1CSCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737727964 598637810 /nfs/dbraw/zinc/63/78/10/598637810.db2.gz VNGNKQBSNGAVQQ-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM N#Cc1ccccc1CSCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737727964 598637812 /nfs/dbraw/zinc/63/78/12/598637812.db2.gz VNGNKQBSNGAVQQ-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(Cl)c(F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202805 598639589 /nfs/dbraw/zinc/63/95/89/598639589.db2.gz OGGLPFAKIMZROR-FNORWQNLSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(Cl)c(F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202805 598639590 /nfs/dbraw/zinc/63/95/90/598639590.db2.gz OGGLPFAKIMZROR-FNORWQNLSA-N -1 3 371.803 3.611 20 30 FHEDHM O=C(C=Cc1csc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737806493 598641955 /nfs/dbraw/zinc/64/19/55/598641955.db2.gz LYEGERYILJRLHY-FPLPWBNLSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1csc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737806493 598641958 /nfs/dbraw/zinc/64/19/58/598641958.db2.gz LYEGERYILJRLHY-FPLPWBNLSA-N -1 3 365.443 3.948 20 30 FHEDHM CCOc1ccc(O)c(C=Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821427463 607367735 /nfs/dbraw/zinc/36/77/35/607367735.db2.gz TXYGCBGNZBDGKH-UHFFFAOYSA-N -1 3 367.409 3.509 20 30 FHEDHM CCOc1ccc(O)c(C=Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821427463 607367737 /nfs/dbraw/zinc/36/77/37/607367737.db2.gz TXYGCBGNZBDGKH-UHFFFAOYSA-N -1 3 367.409 3.509 20 30 FHEDHM C[C@@H](SCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000736190508 599325603 /nfs/dbraw/zinc/32/56/03/599325603.db2.gz SQKLOFBRYASJIE-CYBMUJFWSA-N -1 3 351.435 3.612 20 30 FHEDHM C[C@@H](SCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000736190508 599325606 /nfs/dbraw/zinc/32/56/06/599325606.db2.gz SQKLOFBRYASJIE-CYBMUJFWSA-N -1 3 351.435 3.612 20 30 FHEDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C1(C#N)CCC1 ZINC000737278561 599373208 /nfs/dbraw/zinc/37/32/08/599373208.db2.gz BNGNURQHVRUQLS-UHFFFAOYSA-N -1 3 374.404 3.600 20 30 FHEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C1(C#N)CCC1 ZINC000737278561 599373211 /nfs/dbraw/zinc/37/32/11/599373211.db2.gz BNGNURQHVRUQLS-UHFFFAOYSA-N -1 3 374.404 3.600 20 30 FHEDHM O=C1c2cc(OC(F)(F)F)ccc2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738290497 599538190 /nfs/dbraw/zinc/53/81/90/599538190.db2.gz OOSWXSXIRAGMCQ-NTUHNPAUSA-N -1 3 372.306 3.588 20 30 FHEDHM O=C1c2cc(OC(F)(F)F)ccc2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738290497 599538193 /nfs/dbraw/zinc/53/81/93/599538193.db2.gz OOSWXSXIRAGMCQ-NTUHNPAUSA-N -1 3 372.306 3.588 20 30 FHEDHM O=C1c2cc(OC(F)(F)F)ccc2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738288195 599538325 /nfs/dbraw/zinc/53/83/25/599538325.db2.gz BAWRGKOCTCSDKK-NTUHNPAUSA-N -1 3 372.306 3.588 20 30 FHEDHM O=C1c2cc(OC(F)(F)F)ccc2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738288195 599538327 /nfs/dbraw/zinc/53/83/27/599538327.db2.gz BAWRGKOCTCSDKK-NTUHNPAUSA-N -1 3 372.306 3.588 20 30 FHEDHM CC[C@@](NCc1cc(Cl)ccc1OCC#N)(C(=O)[O-])c1ccccc1 ZINC000736917836 600318948 /nfs/dbraw/zinc/31/89/48/600318948.db2.gz ORIRCRCJSYASQR-IBGZPJMESA-N -1 3 358.825 3.722 20 30 FHEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000739105603 600565597 /nfs/dbraw/zinc/56/55/97/600565597.db2.gz NDIDJZIOSICFTN-IBGZPJMESA-N -1 3 372.371 3.506 20 30 FHEDHM COc1cc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(C)C ZINC000737869169 600593634 /nfs/dbraw/zinc/59/36/34/600593634.db2.gz ZPGWSSDXVRMYLQ-XOBRGWDASA-N -1 3 368.433 3.831 20 30 FHEDHM COCCSc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737824136 600597603 /nfs/dbraw/zinc/59/76/03/600597603.db2.gz PIXGWIPYWFIMBW-KUHUBIRLSA-N -1 3 370.474 3.773 20 30 FHEDHM O=C1c2cccc(F)c2SCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823505151 607458681 /nfs/dbraw/zinc/45/86/81/607458681.db2.gz YCMDDMGPJVXOCC-WDZFZDKYSA-N -1 3 356.357 3.517 20 30 FHEDHM O=C1c2cccc(F)c2SCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823505151 607458683 /nfs/dbraw/zinc/45/86/83/607458683.db2.gz YCMDDMGPJVXOCC-WDZFZDKYSA-N -1 3 356.357 3.517 20 30 FHEDHM N#Cc1ccc(OCCN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000833071367 600755800 /nfs/dbraw/zinc/75/58/00/600755800.db2.gz ISFNPKWCZURVII-INIZCTEOSA-N -1 3 365.216 3.659 20 30 FHEDHM COc1ccc(CS[C@H](C)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826207154 607533712 /nfs/dbraw/zinc/53/37/12/607533712.db2.gz CFXOAHUMPNAZOW-GFCCVEGCSA-N -1 3 351.435 3.741 20 30 FHEDHM COc1ccc(CS[C@H](C)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826207154 607533714 /nfs/dbraw/zinc/53/37/14/607533714.db2.gz CFXOAHUMPNAZOW-GFCCVEGCSA-N -1 3 351.435 3.741 20 30 FHEDHM COc1cccc(C=C2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000832546273 602231105 /nfs/dbraw/zinc/23/11/05/602231105.db2.gz XCCDBTVOIPWKNO-OAQYLSRUSA-N -1 3 362.429 3.872 20 30 FHEDHM O=C(C=Cc1ccc(-c2ccncc2)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826400324 607681727 /nfs/dbraw/zinc/68/17/27/607681727.db2.gz VTMVTJYALXKAIQ-BQYQJAHWSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1ccc(-c2ccncc2)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826400324 607681729 /nfs/dbraw/zinc/68/17/29/607681729.db2.gz VTMVTJYALXKAIQ-BQYQJAHWSA-N -1 3 371.375 3.964 20 30 FHEDHM C[C@H](CN=Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1 ZINC000820220450 606165572 /nfs/dbraw/zinc/16/55/72/606165572.db2.gz VFIBTWABANITGL-LLVKDONJSA-N -1 3 371.242 3.831 20 30 FHEDHM C[C@H](CN=Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000820220450 606165574 /nfs/dbraw/zinc/16/55/74/606165574.db2.gz VFIBTWABANITGL-LLVKDONJSA-N -1 3 371.242 3.831 20 30 FHEDHM C(=NN=C1c2ccccc2-c2ccccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000819718787 606202736 /nfs/dbraw/zinc/20/27/36/606202736.db2.gz QBZOEEXAHWHKLA-UHFFFAOYSA-N -1 3 356.414 3.780 20 30 FHEDHM C(=NN=C1c2ccccc2-c2ccccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000819718787 606202737 /nfs/dbraw/zinc/20/27/37/606202737.db2.gz QBZOEEXAHWHKLA-UHFFFAOYSA-N -1 3 356.414 3.780 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCCCC2)cc1 ZINC000822923010 606389720 /nfs/dbraw/zinc/38/97/20/606389720.db2.gz MMPRTIMTGDSCTH-NTMALXAHSA-N -1 3 365.462 3.815 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1sccc1Br ZINC000822928919 606391485 /nfs/dbraw/zinc/39/14/85/606391485.db2.gz NEBAURPUEHTQAF-IWQZZHSRSA-N -1 3 367.253 3.648 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000822922931 606391857 /nfs/dbraw/zinc/39/18/57/606391857.db2.gz LCFYGSMHQMVPQW-FNORWQNLSA-N -1 3 366.324 3.723 20 30 FHEDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc2ccccc2c1 ZINC000819866117 606603312 /nfs/dbraw/zinc/60/33/12/606603312.db2.gz JKCJTPCJXDUWEJ-CYBMUJFWSA-N -1 3 368.400 3.634 20 30 FHEDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc2ccccc2c1 ZINC000819866117 606603314 /nfs/dbraw/zinc/60/33/14/606603314.db2.gz JKCJTPCJXDUWEJ-CYBMUJFWSA-N -1 3 368.400 3.634 20 30 FHEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000819868426 606603376 /nfs/dbraw/zinc/60/33/76/606603376.db2.gz XYWMYSIXDBDXQZ-CYBMUJFWSA-N -1 3 368.400 3.634 20 30 FHEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000819868426 606603377 /nfs/dbraw/zinc/60/33/77/606603377.db2.gz XYWMYSIXDBDXQZ-CYBMUJFWSA-N -1 3 368.400 3.634 20 30 FHEDHM C=CCN(Cc1ccc(Cl)s1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819743183 606959117 /nfs/dbraw/zinc/95/91/17/606959117.db2.gz FCZZEXJHTCBTFT-UHFFFAOYSA-N -1 3 363.849 3.909 20 30 FHEDHM C=CCN(Cc1ccc(Cl)s1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819743183 606959119 /nfs/dbraw/zinc/95/91/19/606959119.db2.gz FCZZEXJHTCBTFT-UHFFFAOYSA-N -1 3 363.849 3.909 20 30 FHEDHM N#CCOc1ccc(Cl)cc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000822815540 607014189 /nfs/dbraw/zinc/01/41/89/607014189.db2.gz SPICQYJRTCNEQH-UHFFFAOYSA-N -1 3 357.826 3.715 20 30 FHEDHM N#CCOc1ccc(Cl)cc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000822815540 607014190 /nfs/dbraw/zinc/01/41/90/607014190.db2.gz SPICQYJRTCNEQH-UHFFFAOYSA-N -1 3 357.826 3.715 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000822928722 607171658 /nfs/dbraw/zinc/17/16/58/607171658.db2.gz LMRZVNWFVUHJHA-KTKRTIGZSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000822928722 607171659 /nfs/dbraw/zinc/17/16/59/607171659.db2.gz LMRZVNWFVUHJHA-KTKRTIGZSA-N -1 3 353.385 3.825 20 30 FHEDHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820455107 607173491 /nfs/dbraw/zinc/17/34/91/607173491.db2.gz DCELJIHXKZEMDL-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820455107 607173492 /nfs/dbraw/zinc/17/34/92/607173492.db2.gz DCELJIHXKZEMDL-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1ccco1 ZINC000822928565 607252336 /nfs/dbraw/zinc/25/23/36/607252336.db2.gz KFQFLELOTQUBKE-ZHACJKMWSA-N -1 3 372.384 3.935 20 30 FHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1ccco1 ZINC000822928565 607252337 /nfs/dbraw/zinc/25/23/37/607252337.db2.gz KFQFLELOTQUBKE-ZHACJKMWSA-N -1 3 372.384 3.935 20 30 FHEDHM COc1ccc(-c2nnn[n-]2)cc1CSc1ccc(C#N)cc1Cl ZINC000826185101 607843768 /nfs/dbraw/zinc/84/37/68/607843768.db2.gz YODDCBJJBSWUOD-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1ccc(-c2nn[n-]n2)cc1CSc1ccc(C#N)cc1Cl ZINC000826185101 607843769 /nfs/dbraw/zinc/84/37/69/607843769.db2.gz YODDCBJJBSWUOD-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1cccc2cc(C(=O)C=Cc3ccc(F)c(-c4nnn[n-]4)c3)oc21 ZINC000826218032 607915673 /nfs/dbraw/zinc/91/56/73/607915673.db2.gz LWBSGCGAVUHNMX-SOFGYWHQSA-N -1 3 364.336 3.657 20 30 FHEDHM COc1cccc2cc(C(=O)C=Cc3ccc(F)c(-c4nn[n-]n4)c3)oc21 ZINC000826218032 607915674 /nfs/dbraw/zinc/91/56/74/607915674.db2.gz LWBSGCGAVUHNMX-SOFGYWHQSA-N -1 3 364.336 3.657 20 30 FHEDHM CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823963236 608094615 /nfs/dbraw/zinc/09/46/15/608094615.db2.gz YVSNIVLCWYHIOW-UHFFFAOYSA-N -1 3 367.463 3.888 20 30 FHEDHM CSc1ccc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826230119 608110638 /nfs/dbraw/zinc/11/06/38/608110638.db2.gz FCROQNIQYQXPTC-UHFFFAOYSA-N -1 3 372.885 3.756 20 30 FHEDHM CSc1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826230119 608110639 /nfs/dbraw/zinc/11/06/39/608110639.db2.gz FCROQNIQYQXPTC-UHFFFAOYSA-N -1 3 372.885 3.756 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](c1ccccc1)C1CC1 ZINC000823909511 608291266 /nfs/dbraw/zinc/29/12/66/608291266.db2.gz GZPBNNRWTQIPIA-HXUWFJFHSA-N -1 3 373.460 3.575 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](c1ccccc1)C1CC1 ZINC000823909511 608291267 /nfs/dbraw/zinc/29/12/67/608291267.db2.gz GZPBNNRWTQIPIA-HXUWFJFHSA-N -1 3 373.460 3.575 20 30 FHEDHM C#CCCCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823837286 608299129 /nfs/dbraw/zinc/29/91/29/608299129.db2.gz AGVFEIKIXMLTIG-UHFFFAOYSA-N -1 3 361.405 3.791 20 30 FHEDHM C#CCCCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823837286 608299130 /nfs/dbraw/zinc/29/91/30/608299130.db2.gz AGVFEIKIXMLTIG-UHFFFAOYSA-N -1 3 361.405 3.791 20 30 FHEDHM N#Cc1cccc(CSCCCOc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826386522 608405323 /nfs/dbraw/zinc/40/53/23/608405323.db2.gz IIEPWLQQGYRZRZ-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM N#Cc1cccc(CSCCCOc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826386522 608405326 /nfs/dbraw/zinc/40/53/26/608405326.db2.gz IIEPWLQQGYRZRZ-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM O=C(C=Cc1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400670 609271389 /nfs/dbraw/zinc/27/13/89/609271389.db2.gz DVDMHHBVQVPXPG-DAXSKMNVSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400670 609271390 /nfs/dbraw/zinc/27/13/90/609271390.db2.gz DVDMHHBVQVPXPG-DAXSKMNVSA-N -1 3 360.295 3.503 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826292159 609272343 /nfs/dbraw/zinc/27/23/43/609272343.db2.gz KKETUQOMNGGECB-GQCTYLIASA-N -1 3 374.322 3.812 20 30 FHEDHM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826292159 609272344 /nfs/dbraw/zinc/27/23/44/609272344.db2.gz KKETUQOMNGGECB-GQCTYLIASA-N -1 3 374.322 3.812 20 30 FHEDHM COc1cccc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)oc21 ZINC000826217965 609274126 /nfs/dbraw/zinc/27/41/26/609274126.db2.gz JWHCPTHTLWCAQP-SOFGYWHQSA-N -1 3 364.336 3.657 20 30 FHEDHM COc1cccc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)oc21 ZINC000826217965 609274127 /nfs/dbraw/zinc/27/41/27/609274127.db2.gz JWHCPTHTLWCAQP-SOFGYWHQSA-N -1 3 364.336 3.657 20 30 FHEDHM CC(N=Nc1ncc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962640 609275817 /nfs/dbraw/zinc/27/58/17/609275817.db2.gz NZGACGINFPGKGP-UHFFFAOYSA-N -1 3 366.187 3.544 20 30 FHEDHM CC(N=Nc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962640 609275819 /nfs/dbraw/zinc/27/58/19/609275819.db2.gz NZGACGINFPGKGP-UHFFFAOYSA-N -1 3 366.187 3.544 20 30 FHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1OC(F)F ZINC000826297388 609307881 /nfs/dbraw/zinc/30/78/81/609307881.db2.gz FTDMASBKTWXCJY-KTKRTIGZSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1OC(F)F ZINC000826297388 609307883 /nfs/dbraw/zinc/30/78/83/609307883.db2.gz FTDMASBKTWXCJY-KTKRTIGZSA-N -1 3 356.332 3.673 20 30 FHEDHM N#Cc1ccc(CSc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000826385463 609311305 /nfs/dbraw/zinc/31/13/05/609311305.db2.gz NLKAROMQQBLWTF-UHFFFAOYSA-N -1 3 372.251 3.793 20 30 FHEDHM N#Cc1ccc(CSc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000826385463 609311307 /nfs/dbraw/zinc/31/13/07/609311307.db2.gz NLKAROMQQBLWTF-UHFFFAOYSA-N -1 3 372.251 3.793 20 30 FHEDHM N#Cc1cccc(SCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826387055 609311548 /nfs/dbraw/zinc/31/15/48/609311548.db2.gz DTVZNTBUDRKGGQ-UHFFFAOYSA-N -1 3 372.251 3.793 20 30 FHEDHM N#Cc1cccc(SCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826387055 609311550 /nfs/dbraw/zinc/31/15/50/609311550.db2.gz DTVZNTBUDRKGGQ-UHFFFAOYSA-N -1 3 372.251 3.793 20 30 FHEDHM C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824530287 609343662 /nfs/dbraw/zinc/34/36/62/609343662.db2.gz KONCDTYBGZIXEV-ACJLOTCBSA-N -1 3 350.401 3.701 20 30 FHEDHM C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824530287 609343664 /nfs/dbraw/zinc/34/36/64/609343664.db2.gz KONCDTYBGZIXEV-ACJLOTCBSA-N -1 3 350.401 3.701 20 30 FHEDHM CSCC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000826227057 609471580 /nfs/dbraw/zinc/47/15/80/609471580.db2.gz KYVITHJWWTXCMF-UHFFFAOYSA-N -1 3 358.858 3.699 20 30 FHEDHM CSCC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000826227057 609471582 /nfs/dbraw/zinc/47/15/82/609471582.db2.gz KYVITHJWWTXCMF-UHFFFAOYSA-N -1 3 358.858 3.699 20 30 FHEDHM C#CCCCCCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823841600 609582599 /nfs/dbraw/zinc/58/25/99/609582599.db2.gz QJHKZPYAAAGPCI-UHFFFAOYSA-N -1 3 373.460 3.734 20 30 FHEDHM C#CCCCCCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823841600 609582601 /nfs/dbraw/zinc/58/26/01/609582601.db2.gz QJHKZPYAAAGPCI-UHFFFAOYSA-N -1 3 373.460 3.734 20 30 FHEDHM COc1cc(C(=O)/C=C\c2c(C3CC3)nc3sccn23)c(OC)cc1[O-] ZINC000255168890 930242883 /nfs/dbraw/zinc/24/28/83/930242883.db2.gz GJDLAWJEUZSVNW-WAYWQWQTSA-N -1 3 370.430 3.892 20 30 FHEDHM COc1cc(C(=O)/C=C\c2cc([N+](=O)[O-])ccc2Cl)c(OC)cc1[O-] ZINC000255212609 930838353 /nfs/dbraw/zinc/83/83/53/930838353.db2.gz LSYPGSHJMJVNET-UTCJRWHESA-N -1 3 363.753 3.867 20 30 FHEDHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000548283532 932824905 /nfs/dbraw/zinc/82/49/05/932824905.db2.gz XWRLOGZDBGWUGY-UHFFFAOYSA-N -1 3 357.822 3.869 20 30 FHEDHM N#CCCSc1ccccc1[N-]C(=O)c1coc(C2CCOCC2)n1 ZINC000548439686 933773229 /nfs/dbraw/zinc/77/32/29/933773229.db2.gz AEWMQPRJHRHDRR-UHFFFAOYSA-N -1 3 357.435 3.827 20 30 FHEDHM C=CCC1([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCCC1 ZINC000657188383 934711932 /nfs/dbraw/zinc/71/19/32/934711932.db2.gz SJJKZCLKBUGVOE-UHFFFAOYSA-N -1 3 374.865 3.605 20 30 FHEDHM C=CCOc1cccc(CN[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)c1 ZINC000277232743 934823205 /nfs/dbraw/zinc/82/32/05/934823205.db2.gz IQBMXORFYHKHAH-GOSISDBHSA-N -1 3 371.433 3.574 20 30 FHEDHM CCS(=O)(=O)[N-]c1ccc(N=Cc2cc(Cl)ccc2O)cc1OC ZINC000255442066 934872483 /nfs/dbraw/zinc/87/24/83/934872483.db2.gz KUBQIJBDIJGHTK-UHFFFAOYSA-N -1 3 368.842 3.566 20 30 FHEDHM N#CCC[C@@H](C#N)CNc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737681306 945112048 /nfs/dbraw/zinc/11/20/48/945112048.db2.gz BZHOQMANXRYCBF-AWEZNQCLSA-N -1 3 359.393 3.514 20 30 FHEDHM N#CCC[C@@H](C#N)CNc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737681306 945112057 /nfs/dbraw/zinc/11/20/57/945112057.db2.gz BZHOQMANXRYCBF-AWEZNQCLSA-N -1 3 359.393 3.514 20 30 FHEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000507307608 945121665 /nfs/dbraw/zinc/12/16/65/945121665.db2.gz YGZNPVMFGCSBOE-MRXNPFEDSA-N -1 3 372.343 3.611 20 30 FHEDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000509573580 945126929 /nfs/dbraw/zinc/12/69/29/945126929.db2.gz SBRUFLIKWJQGBZ-UHFFFAOYSA-N -1 3 370.858 3.551 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cccc(-c2ccncc2)c1 ZINC000737797510 945127280 /nfs/dbraw/zinc/12/72/80/945127280.db2.gz JHMYMVOTEFAHNA-FPLPWBNLSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cccc(-c2ccncc2)c1 ZINC000737797510 945127284 /nfs/dbraw/zinc/12/72/84/945127284.db2.gz JHMYMVOTEFAHNA-FPLPWBNLSA-N -1 3 353.385 3.825 20 30 FHEDHM C=CCn1c(SCc2ncccc2[O-])nnc1-c1ccccc1OC ZINC000584329411 938685735 /nfs/dbraw/zinc/68/57/35/938685735.db2.gz ACIQZUDSUWBHRC-UHFFFAOYSA-N -1 3 354.435 3.533 20 30 FHEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccc(C)s1 ZINC000128281524 938998512 /nfs/dbraw/zinc/99/85/12/938998512.db2.gz NJEXWDRSWAGUHP-LLVKDONJSA-N -1 3 362.838 3.988 20 30 FHEDHM CCNC(=O)c1ccc(C)c(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255741327 939157472 /nfs/dbraw/zinc/15/74/72/939157472.db2.gz OUHGIMNUXZYWQV-UHFFFAOYSA-N -1 3 361.239 3.963 20 30 FHEDHM O=C(CCc1ccccc1)N1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000255833549 939888832 /nfs/dbraw/zinc/88/88/32/939888832.db2.gz PVWKQVCUAUPOCZ-FPJJECCMSA-N -1 3 356.853 3.698 20 30 FHEDHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C#N)cc1 ZINC000516823629 945285647 /nfs/dbraw/zinc/28/56/47/945285647.db2.gz MVWKGHWEONDUMZ-UHFFFAOYSA-N -1 3 371.462 3.593 20 30 FHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(C(C)=O)c2)cc1 ZINC000892502128 940115151 /nfs/dbraw/zinc/11/51/51/940115151.db2.gz VZTJHAMKOPNLAU-DJJJIMSYSA-N -1 3 363.417 3.759 20 30 FHEDHM N#CCCN(C(=O)CCC(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000066621853 940729427 /nfs/dbraw/zinc/72/94/27/940729427.db2.gz MBDJWVPRYVSUQB-UHFFFAOYSA-N -1 3 371.824 3.711 20 30 FHEDHM N#CCc1ccc(OCc2cccc(NC(=O)c3c([O-])cccc3O)c2)cc1 ZINC000180846521 941358372 /nfs/dbraw/zinc/35/83/72/941358372.db2.gz FLWSQSKHQFJKFA-UHFFFAOYSA-N -1 3 374.396 3.995 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCC2)c(F)c1 ZINC001211836854 941708076 /nfs/dbraw/zinc/70/80/76/941708076.db2.gz BNAHTDNIQFQNDP-UHFFFAOYSA-N -1 3 364.829 3.708 20 30 FHEDHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cccc(SCC#N)c3)[nH][n-]2)c1 ZINC000431852185 941962674 /nfs/dbraw/zinc/96/26/74/941962674.db2.gz VFWPHANCFVJXBJ-UHFFFAOYSA-N -1 3 362.458 3.983 20 30 FHEDHM Cc1cc(NC(=O)c2ccco2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000041492107 942410225 /nfs/dbraw/zinc/41/02/25/942410225.db2.gz STEKCBZJXQVEKL-LBPRGKRZSA-N -1 3 351.387 3.787 20 30 FHEDHM C=CCC1(NC(=O)NCc2ccc([O-])c(Br)c2)CCCC1 ZINC000664470542 943167493 /nfs/dbraw/zinc/16/74/93/943167493.db2.gz CRSOOUJEENSAIH-UHFFFAOYSA-N -1 3 353.260 3.843 20 30 FHEDHM Cc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503506045 943223717 /nfs/dbraw/zinc/22/37/17/943223717.db2.gz OPDLLQZBQLJANC-UHFFFAOYSA-N -1 3 360.822 3.745 20 30 FHEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(OCc2ccccc2OC)c1C ZINC000416956074 943243163 /nfs/dbraw/zinc/24/31/63/943243163.db2.gz NBIULXQDKNYZAJ-MRXNPFEDSA-N -1 3 374.462 3.627 20 30 FHEDHM O=C1[N-][C@@H](CC(F)F)C(=O)N1C(CCC(F)(F)F)CCC(F)(F)F ZINC000924991571 943283625 /nfs/dbraw/zinc/28/36/25/943283625.db2.gz KXMALRGJRPWUKC-ZETCQYMHSA-N -1 3 370.240 3.616 20 30 FHEDHM CCc1ccc(C(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)c([O-])c1 ZINC000191649037 944212607 /nfs/dbraw/zinc/21/26/07/944212607.db2.gz RUAYUUUHGYVVRU-INIZCTEOSA-N -1 3 368.433 3.574 20 30 FHEDHM CCc1cc(=O)[n-]c(CN(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)n1 ZINC000425538956 944270936 /nfs/dbraw/zinc/27/09/36/944270936.db2.gz SXIRJRSGAFLFNH-GFCCVEGCSA-N -1 3 364.371 3.678 20 30 FHEDHM COc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000436617742 944465273 /nfs/dbraw/zinc/46/52/73/944465273.db2.gz OQRMZSROBFHSAA-CQSZACIVSA-N -1 3 351.189 3.702 20 30 FHEDHM COCc1nocc1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C(C)C)C2 ZINC000425614827 944557397 /nfs/dbraw/zinc/55/73/97/944557397.db2.gz YEDAATXYEWMBLG-LLVKDONJSA-N -1 3 359.451 3.767 20 30 FHEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc1OC ZINC000426717143 944717632 /nfs/dbraw/zinc/71/76/32/944717632.db2.gz MTEFMTSWRGMACV-FQEVSTJZSA-N -1 3 355.434 3.792 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000053721853 944747610 /nfs/dbraw/zinc/74/76/10/944747610.db2.gz WJKQVHSOIKPBHJ-UHFFFAOYSA-N -1 3 371.440 3.687 20 30 FHEDHM N#CC(=C([O-])c1cnn(-c2ccc(Cl)cc2)c1)c1nc2ccccc2[nH]1 ZINC000048813521 945796261 /nfs/dbraw/zinc/79/62/61/945796261.db2.gz USTJWCAZTDYXBX-HNNXBMFYSA-N -1 3 361.792 3.892 20 30 FHEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000519885375 945854415 /nfs/dbraw/zinc/85/44/15/945854415.db2.gz MFKHHWAKPRHEFQ-UHFFFAOYSA-N -1 3 359.429 3.698 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1OC(F)F ZINC000822930430 946222353 /nfs/dbraw/zinc/22/23/53/946222353.db2.gz ZUNUZCCWZGRLLC-DAXSKMNVSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1OC(F)F ZINC000822930430 946222361 /nfs/dbraw/zinc/22/23/61/946222361.db2.gz ZUNUZCCWZGRLLC-DAXSKMNVSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CSc2c(Cl)cccc21 ZINC000823504223 946439616 /nfs/dbraw/zinc/43/96/16/946439616.db2.gz NGGNTHYATOHJFD-XBXARRHUSA-N -1 3 360.851 3.954 20 30 FHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CSc2c(Cl)cccc21 ZINC000823504223 946439621 /nfs/dbraw/zinc/43/96/21/946439621.db2.gz NGGNTHYATOHJFD-XBXARRHUSA-N -1 3 360.851 3.954 20 30 FHEDHM C#CCCCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823839006 946488566 /nfs/dbraw/zinc/48/85/66/946488566.db2.gz YESIQBPHNLHRHW-MRXNPFEDSA-N -1 3 373.460 3.905 20 30 FHEDHM C#CCCCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823839006 946488573 /nfs/dbraw/zinc/48/85/73/946488573.db2.gz YESIQBPHNLHRHW-MRXNPFEDSA-N -1 3 373.460 3.905 20 30 FHEDHM C#CCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C(C)(C)C)C2 ZINC001573283756 946725409 /nfs/dbraw/zinc/72/54/09/946725409.db2.gz MUIKEMUBRXFMII-GFCCVEGCSA-N -1 3 371.510 3.821 20 30 FHEDHM C#CCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)(C)C)C2 ZINC001573283756 946725425 /nfs/dbraw/zinc/72/54/25/946725425.db2.gz MUIKEMUBRXFMII-GFCCVEGCSA-N -1 3 371.510 3.821 20 30 FHEDHM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)ccc2O1 ZINC000824812020 946940529 /nfs/dbraw/zinc/94/05/29/946940529.db2.gz GKBMYNBGFDREAI-XVNBXDOJSA-N -1 3 364.380 3.615 20 30 FHEDHM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)ccc2O1 ZINC000824812020 946940533 /nfs/dbraw/zinc/94/05/33/946940533.db2.gz GKBMYNBGFDREAI-XVNBXDOJSA-N -1 3 364.380 3.615 20 30 FHEDHM N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000475362029 946954092 /nfs/dbraw/zinc/95/40/92/946954092.db2.gz RQGJJOIRMYRYAN-IBGZPJMESA-N -1 3 359.832 3.567 20 30 FHEDHM C=C(C)CCC(=O)Nc1cnc(Oc2ccccc2-c2nnn[n-]2)cc1C ZINC001573293729 946964514 /nfs/dbraw/zinc/96/45/14/946964514.db2.gz ICJDOTKNXYNNOH-UHFFFAOYSA-N -1 3 364.409 3.657 20 30 FHEDHM C=C(C)CCC(=O)Nc1cnc(Oc2ccccc2-c2nn[n-]n2)cc1C ZINC001573293729 946964517 /nfs/dbraw/zinc/96/45/17/946964517.db2.gz ICJDOTKNXYNNOH-UHFFFAOYSA-N -1 3 364.409 3.657 20 30 FHEDHM Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000328654761 946966523 /nfs/dbraw/zinc/96/65/23/946966523.db2.gz MBAPAEUIKIFRKW-QAPCUYQASA-N -1 3 354.385 3.630 20 30 FHEDHM CCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825341410 947158585 /nfs/dbraw/zinc/15/85/85/947158585.db2.gz CIVSWSXVXUJFAM-TWGQIWQCSA-N -1 3 352.369 3.691 20 30 FHEDHM CCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825341410 947158599 /nfs/dbraw/zinc/15/85/99/947158599.db2.gz CIVSWSXVXUJFAM-TWGQIWQCSA-N -1 3 352.369 3.691 20 30 FHEDHM CCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825339149 947159916 /nfs/dbraw/zinc/15/99/16/947159916.db2.gz OUSRGDUZSMHCEV-YHYXMXQVSA-N -1 3 352.369 3.691 20 30 FHEDHM CCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825339149 947159921 /nfs/dbraw/zinc/15/99/21/947159921.db2.gz OUSRGDUZSMHCEV-YHYXMXQVSA-N -1 3 352.369 3.691 20 30 FHEDHM C=CC1(CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CCCCC1 ZINC001573316307 947270564 /nfs/dbraw/zinc/27/05/64/947270564.db2.gz VKLGHJADDRYJIQ-UHFFFAOYSA-N -1 3 356.474 3.888 20 30 FHEDHM C=CC1(CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CCCCC1 ZINC001573316307 947270574 /nfs/dbraw/zinc/27/05/74/947270574.db2.gz VKLGHJADDRYJIQ-UHFFFAOYSA-N -1 3 356.474 3.888 20 30 FHEDHM C=CCC(F)(F)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@H](C)CC2 ZINC001573325390 947357745 /nfs/dbraw/zinc/35/77/45/947357745.db2.gz BAWNAZFFDXIYAG-BDAKNGLRSA-N -1 3 367.425 3.764 20 30 FHEDHM C=CCC(F)(F)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@H](C)CC2 ZINC001573325390 947357758 /nfs/dbraw/zinc/35/77/58/947357758.db2.gz BAWNAZFFDXIYAG-BDAKNGLRSA-N -1 3 367.425 3.764 20 30 FHEDHM C=CCC1(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CCCCC1 ZINC001573325579 947361045 /nfs/dbraw/zinc/36/10/45/947361045.db2.gz FCUWCRKFCFZSHO-GOSISDBHSA-N -1 3 365.481 3.887 20 30 FHEDHM C=CCC1(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CCCCC1 ZINC001573325579 947361059 /nfs/dbraw/zinc/36/10/59/947361059.db2.gz FCUWCRKFCFZSHO-GOSISDBHSA-N -1 3 365.481 3.887 20 30 FHEDHM C=CCCC[C@@H](NC(=O)c1cscc1-c1nnn[n-]1)c1ccccc1 ZINC001573334823 947464614 /nfs/dbraw/zinc/46/46/14/947464614.db2.gz IMBHWRGOXQOZPT-MRXNPFEDSA-N -1 3 353.451 3.756 20 30 FHEDHM C=CCCC[C@@H](NC(=O)c1cscc1-c1nn[n-]n1)c1ccccc1 ZINC001573334823 947464627 /nfs/dbraw/zinc/46/46/27/947464627.db2.gz IMBHWRGOXQOZPT-MRXNPFEDSA-N -1 3 353.451 3.756 20 30 FHEDHM C=CCC[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573335102 947471678 /nfs/dbraw/zinc/47/16/78/947471678.db2.gz WCTZZWDHUOSSAD-QGZVFWFLSA-N -1 3 367.840 3.957 20 30 FHEDHM C=CCC[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573335102 947471684 /nfs/dbraw/zinc/47/16/84/947471684.db2.gz WCTZZWDHUOSSAD-QGZVFWFLSA-N -1 3 367.840 3.957 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C=C/CCc1ccccc1 ZINC001573342157 947539877 /nfs/dbraw/zinc/53/98/77/947539877.db2.gz VDSQJCFVLRCZRR-VGOFMYFVSA-N -1 3 373.460 3.570 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C=C/CCc1ccccc1 ZINC001573342157 947539885 /nfs/dbraw/zinc/53/98/85/947539885.db2.gz VDSQJCFVLRCZRR-VGOFMYFVSA-N -1 3 373.460 3.570 20 30 FHEDHM CSc1ccccc1CC(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826230957 947676630 /nfs/dbraw/zinc/67/66/30/947676630.db2.gz QNBDRFMHCHKFLI-UHFFFAOYSA-N -1 3 373.873 3.668 20 30 FHEDHM CSc1ccccc1CC(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826230957 947676635 /nfs/dbraw/zinc/67/66/35/947676635.db2.gz QNBDRFMHCHKFLI-UHFFFAOYSA-N -1 3 373.873 3.668 20 30 FHEDHM O=C(C=Cc1cc2cc(F)ccc2o1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399840 948214257 /nfs/dbraw/zinc/21/42/57/948214257.db2.gz HLZMGQDAVRUFSX-HWKANZROSA-N -1 3 352.300 3.787 20 30 FHEDHM O=C(C=Cc1cc2cc(F)ccc2o1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399840 948214271 /nfs/dbraw/zinc/21/42/71/948214271.db2.gz HLZMGQDAVRUFSX-HWKANZROSA-N -1 3 352.300 3.787 20 30 FHEDHM O=C(C=Cc1ccccc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401650 948223091 /nfs/dbraw/zinc/22/30/91/948223091.db2.gz DEJZEMFXURWLKK-SOFGYWHQSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccccc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401650 948223095 /nfs/dbraw/zinc/22/30/95/948223095.db2.gz DEJZEMFXURWLKK-SOFGYWHQSA-N -1 3 373.185 3.664 20 30 FHEDHM N#Cc1ccccc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000057476541 211973844 /nfs/dbraw/zinc/97/38/44/211973844.db2.gz XKWIICFZMCPGEJ-UHFFFAOYSA-N -1 3 359.414 3.685 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC000569056544 568293264 /nfs/dbraw/zinc/29/32/64/568293264.db2.gz JKPGQLJHHJRFKY-CTYIDZIISA-N -1 3 364.829 3.575 20 30 FHEDHM C#CCOc1ccccc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735387892 598943775 /nfs/dbraw/zinc/94/37/75/598943775.db2.gz JQXRTEIJWOMOEI-UHFFFAOYSA-N -1 3 373.338 3.510 20 30 FHEDHM C#CCOc1ccccc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735387892 598943776 /nfs/dbraw/zinc/94/37/76/598943776.db2.gz JQXRTEIJWOMOEI-UHFFFAOYSA-N -1 3 373.338 3.510 20 30 FHEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)sc1Cl ZINC000819772226 607254196 /nfs/dbraw/zinc/25/41/96/607254196.db2.gz AYAYPDXAQOIEBN-UHFFFAOYSA-N -1 3 367.265 3.749 20 30 FHEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)sc1Cl ZINC000819772226 607254197 /nfs/dbraw/zinc/25/41/97/607254197.db2.gz AYAYPDXAQOIEBN-UHFFFAOYSA-N -1 3 367.265 3.749 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2ccncc2)c1 ZINC000735451018 599067512 /nfs/dbraw/zinc/06/75/12/599067512.db2.gz MRZAIJCPEKVPOT-UHFFFAOYSA-N -1 3 355.405 3.765 20 30 FHEDHM O=C1C(=Cc2cc3cc(F)ccc3o2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503892 599114459 /nfs/dbraw/zinc/11/44/59/599114459.db2.gz KCGVVIUPMAYSBC-FMIVXFBMSA-N -1 3 360.348 3.965 20 30 FHEDHM O=C1C(=Cc2cc3cc(F)ccc3o2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503892 599114462 /nfs/dbraw/zinc/11/44/62/599114462.db2.gz KCGVVIUPMAYSBC-FMIVXFBMSA-N -1 3 360.348 3.965 20 30 FHEDHM CC1(C)Cc2cccc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)c2O1 ZINC000820607140 599112850 /nfs/dbraw/zinc/11/28/50/599112850.db2.gz JMMXDBYANHJYEQ-SDNWHVSQSA-N -1 3 372.428 3.793 20 30 FHEDHM CC1(C)Cc2cccc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)c2O1 ZINC000820607140 599112852 /nfs/dbraw/zinc/11/28/52/599112852.db2.gz JMMXDBYANHJYEQ-SDNWHVSQSA-N -1 3 372.428 3.793 20 30 FHEDHM COc1cccc2cc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)oc21 ZINC000821877619 599116055 /nfs/dbraw/zinc/11/60/55/599116055.db2.gz NPRLMVMFRGVXFM-JLHYYAGUSA-N -1 3 372.384 3.834 20 30 FHEDHM COc1cccc2cc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)oc21 ZINC000821877619 599116056 /nfs/dbraw/zinc/11/60/56/599116056.db2.gz NPRLMVMFRGVXFM-JLHYYAGUSA-N -1 3 372.384 3.834 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)CCCCC ZINC000819743902 599145348 /nfs/dbraw/zinc/14/53/48/599145348.db2.gz SEKLOUWUMNMUFU-INIZCTEOSA-N -1 3 355.486 3.988 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)CCCCC ZINC000819743902 599145349 /nfs/dbraw/zinc/14/53/49/599145349.db2.gz SEKLOUWUMNMUFU-INIZCTEOSA-N -1 3 355.486 3.988 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1-c1nnn[n-]1 ZINC000737080637 599153484 /nfs/dbraw/zinc/15/34/84/599153484.db2.gz FKKVBNLPCSYSJJ-POHAHGRESA-N -1 3 360.417 3.650 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1-c1nn[n-]n1 ZINC000737080637 599153486 /nfs/dbraw/zinc/15/34/86/599153486.db2.gz FKKVBNLPCSYSJJ-POHAHGRESA-N -1 3 360.417 3.650 20 30 FHEDHM CC(C)(CCCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735665521 599193276 /nfs/dbraw/zinc/19/32/76/599193276.db2.gz YRNSEVZZHKDLSJ-UHFFFAOYSA-N -1 3 374.448 3.726 20 30 FHEDHM CC(C)(CCCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735665521 599193279 /nfs/dbraw/zinc/19/32/79/599193279.db2.gz YRNSEVZZHKDLSJ-UHFFFAOYSA-N -1 3 374.448 3.726 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819740319 607289796 /nfs/dbraw/zinc/28/97/96/607289796.db2.gz XQGMBHYCLLJKJV-UHFFFAOYSA-N -1 3 354.458 3.775 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819740319 607289797 /nfs/dbraw/zinc/28/97/97/607289797.db2.gz XQGMBHYCLLJKJV-UHFFFAOYSA-N -1 3 354.458 3.775 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000737797953 598492610 /nfs/dbraw/zinc/49/26/10/598492610.db2.gz SRJAHRKBIOZNHW-RMKNXTFCSA-N -1 3 360.295 3.661 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000737797953 598492611 /nfs/dbraw/zinc/49/26/11/598492611.db2.gz SRJAHRKBIOZNHW-RMKNXTFCSA-N -1 3 360.295 3.661 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C)c(Cl)c1 ZINC000735418139 598655992 /nfs/dbraw/zinc/65/59/92/598655992.db2.gz BWFHJYAACIMRAW-UHFFFAOYSA-N -1 3 367.840 3.657 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C)c(Cl)c1 ZINC000735418139 598655993 /nfs/dbraw/zinc/65/59/93/598655993.db2.gz BWFHJYAACIMRAW-UHFFFAOYSA-N -1 3 367.840 3.657 20 30 FHEDHM C[C@@H](SCCOc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189236 599325992 /nfs/dbraw/zinc/32/59/92/599325992.db2.gz OPEPRPWROWPBDR-CYBMUJFWSA-N -1 3 351.435 3.612 20 30 FHEDHM C[C@@H](SCCOc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189236 599325995 /nfs/dbraw/zinc/32/59/95/599325995.db2.gz OPEPRPWROWPBDR-CYBMUJFWSA-N -1 3 351.435 3.612 20 30 FHEDHM FC(F)(F)Oc1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737626680 599535170 /nfs/dbraw/zinc/53/51/70/599535170.db2.gz JRQGPFUPIDGKTA-UHFFFAOYSA-N -1 3 374.326 3.528 20 30 FHEDHM C=CCN(C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000735416750 599566115 /nfs/dbraw/zinc/56/61/15/599566115.db2.gz QFKYWLPRGMZQDB-UHFFFAOYSA-N -1 3 362.437 3.647 20 30 FHEDHM C=CCCCN(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735413497 599568895 /nfs/dbraw/zinc/56/88/95/599568895.db2.gz VWYSJLDAZQJXFC-UHFFFAOYSA-N -1 3 362.437 3.649 20 30 FHEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000736663202 600590241 /nfs/dbraw/zinc/59/02/41/600590241.db2.gz WROARPXTDRBWBI-ZBEGNZNMSA-N -1 3 359.223 3.797 20 30 FHEDHM Cc1nc(-c2ccc(CN[C@H](C(=O)[O-])c3ccc(C#N)cc3)s2)cs1 ZINC000738829622 600591466 /nfs/dbraw/zinc/59/14/66/600591466.db2.gz OPDJKMVTCFQCQX-KRWDZBQOSA-N -1 3 369.471 3.967 20 30 FHEDHM CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000829431126 601236137 /nfs/dbraw/zinc/23/61/37/601236137.db2.gz VGAYJGHPXQCIIO-SOLBZPMBSA-N -1 3 370.449 3.568 20 30 FHEDHM CCCOc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000829528226 601301037 /nfs/dbraw/zinc/30/10/37/601301037.db2.gz SCLMIKAWPPGZHS-VLIAUNLRSA-N -1 3 368.433 3.832 20 30 FHEDHM CCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000830022157 601301916 /nfs/dbraw/zinc/30/19/16/601301916.db2.gz RFTYDTKXEKNWDG-KRWDZBQOSA-N -1 3 374.824 3.534 20 30 FHEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC000832341449 601304388 /nfs/dbraw/zinc/30/43/88/601304388.db2.gz LEFZDCTYVGMEGG-MRXNPFEDSA-N -1 3 364.323 3.501 20 30 FHEDHM N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1nc2ccccc2[nH]1 ZINC000740304547 602670238 /nfs/dbraw/zinc/67/02/38/602670238.db2.gz WGMJQFWHWQFFTP-LSDHHAIUSA-N -1 3 362.389 3.528 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826401307 607646784 /nfs/dbraw/zinc/64/67/84/607646784.db2.gz VDZZNVVWGKWHSZ-ZHACJKMWSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826401307 607646787 /nfs/dbraw/zinc/64/67/87/607646787.db2.gz VDZZNVVWGKWHSZ-ZHACJKMWSA-N -1 3 353.385 3.825 20 30 FHEDHM CN(CC#Cc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833870952 605876305 /nfs/dbraw/zinc/87/63/05/605876305.db2.gz XEXXRARQAMEKFE-SJPCQFCGSA-N -1 3 366.383 3.662 20 30 FHEDHM N#CC(C(=O)CCC1CCN(C(=O)[O-])CC1)c1ccc2ccccc2n1 ZINC000833959619 606084202 /nfs/dbraw/zinc/08/42/02/606084202.db2.gz AVPHSHZLTYSDOZ-MRXNPFEDSA-N -1 3 351.406 3.581 20 30 FHEDHM Cc1cc(Cl)cc2c1OCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000822201938 606305671 /nfs/dbraw/zinc/30/56/71/606305671.db2.gz CJDWNTODNWVUAH-YCRREMRBSA-N -1 3 358.810 3.549 20 30 FHEDHM Cc1cc(Cl)cc2c1OCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000822201938 606305672 /nfs/dbraw/zinc/30/56/72/606305672.db2.gz CJDWNTODNWVUAH-YCRREMRBSA-N -1 3 358.810 3.549 20 30 FHEDHM N#Cc1ccccc1Oc1ccc(Nc2ncccc2-c2nnn[n-]2)cc1F ZINC000822842289 606432812 /nfs/dbraw/zinc/43/28/12/606432812.db2.gz AMAODUZIKFWBGS-UHFFFAOYSA-N -1 3 373.351 3.808 20 30 FHEDHM N#Cc1ccccc1Oc1ccc(Nc2ncccc2-c2nn[n-]n2)cc1F ZINC000822842289 606432814 /nfs/dbraw/zinc/43/28/14/606432814.db2.gz AMAODUZIKFWBGS-UHFFFAOYSA-N -1 3 373.351 3.808 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822259429 606820946 /nfs/dbraw/zinc/82/09/46/606820946.db2.gz WWDMXPSKDDUOGR-HWKANZROSA-N -1 3 362.361 3.734 20 30 FHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822929743 606835196 /nfs/dbraw/zinc/83/51/96/606835196.db2.gz XNSCLDFYOCZEPT-WAPJZHGLSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822929743 606835198 /nfs/dbraw/zinc/83/51/98/606835198.db2.gz XNSCLDFYOCZEPT-WAPJZHGLSA-N -1 3 373.185 3.664 20 30 FHEDHM Fc1cc(-c2ccncc2)ccc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826371606 607782627 /nfs/dbraw/zinc/78/26/27/607782627.db2.gz MHGQPMRIZZYETI-UHFFFAOYSA-N -1 3 359.368 3.514 20 30 FHEDHM Fc1cc(-c2ccncc2)ccc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826371606 607782628 /nfs/dbraw/zinc/78/26/28/607782628.db2.gz MHGQPMRIZZYETI-UHFFFAOYSA-N -1 3 359.368 3.514 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000826402179 607884785 /nfs/dbraw/zinc/88/47/85/607884785.db2.gz OIQMMGWLNNIGOM-HJWRWDBZSA-N -1 3 360.295 3.661 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(OC(F)(F)F)c1 ZINC000826402179 607884786 /nfs/dbraw/zinc/88/47/86/607884786.db2.gz OIQMMGWLNNIGOM-HJWRWDBZSA-N -1 3 360.295 3.661 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C=C)c1ccccc1 ZINC000823909974 607979385 /nfs/dbraw/zinc/97/93/85/607979385.db2.gz UUXBEAXPFGZMTJ-GOSISDBHSA-N -1 3 373.460 3.741 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C=C)c1ccccc1 ZINC000823909974 607979386 /nfs/dbraw/zinc/97/93/86/607979386.db2.gz UUXBEAXPFGZMTJ-GOSISDBHSA-N -1 3 373.460 3.741 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1ccccc1 ZINC000823883626 607999781 /nfs/dbraw/zinc/99/97/81/607999781.db2.gz VWDLJMQJDRUSDD-LBPRGKRZSA-N -1 3 365.462 3.715 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1ccccc1 ZINC000823883626 607999782 /nfs/dbraw/zinc/99/97/82/607999782.db2.gz VWDLJMQJDRUSDD-LBPRGKRZSA-N -1 3 365.462 3.715 20 30 FHEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccc(C#N)cc1 ZINC000824650645 608048010 /nfs/dbraw/zinc/04/80/10/608048010.db2.gz UKADAXJKHRNZQA-JTQLQIEISA-N -1 3 369.226 3.674 20 30 FHEDHM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825418187 608091648 /nfs/dbraw/zinc/09/16/48/608091648.db2.gz YFTJXHPQMYKABZ-YFHOEESVSA-N -1 3 353.451 3.671 20 30 FHEDHM COc1cc(C#N)ccc1CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826177198 608323198 /nfs/dbraw/zinc/32/31/98/608323198.db2.gz WEVITBZVXWRCFC-LBPRGKRZSA-N -1 3 351.435 3.741 20 30 FHEDHM COc1cc(C#N)ccc1CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826177198 608323199 /nfs/dbraw/zinc/32/31/99/608323199.db2.gz WEVITBZVXWRCFC-LBPRGKRZSA-N -1 3 351.435 3.741 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475931 608387603 /nfs/dbraw/zinc/38/76/03/608387603.db2.gz WKHDPQDQLIKWED-WQLSENKSSA-N -1 3 352.781 3.569 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475931 608387606 /nfs/dbraw/zinc/38/76/06/608387606.db2.gz WKHDPQDQLIKWED-WQLSENKSSA-N -1 3 352.781 3.569 20 30 FHEDHM N#Cc1cc(Cl)ccc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826383433 608442252 /nfs/dbraw/zinc/44/22/52/608442252.db2.gz AHYWTRQTJDOPEO-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM N#Cc1cc(Cl)ccc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826383433 608442254 /nfs/dbraw/zinc/44/22/54/608442254.db2.gz AHYWTRQTJDOPEO-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM N#Cc1ccc(Cl)cc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826385177 608444002 /nfs/dbraw/zinc/44/40/02/608444002.db2.gz AGTQAHFXIDONMP-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM N#Cc1ccc(Cl)cc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826385177 608444004 /nfs/dbraw/zinc/44/40/04/608444004.db2.gz AGTQAHFXIDONMP-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM Cc1ccc(C2CC(N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)C2)cc1 ZINC000826285187 608536133 /nfs/dbraw/zinc/53/61/33/608536133.db2.gz RLMVVTUWGUUEIN-UHFFFAOYSA-N -1 3 353.817 3.569 20 30 FHEDHM Cc1ccc(C2CC(N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)C2)cc1 ZINC000826285187 608536134 /nfs/dbraw/zinc/53/61/34/608536134.db2.gz RLMVVTUWGUUEIN-UHFFFAOYSA-N -1 3 353.817 3.569 20 30 FHEDHM C[C@@H](CCc1ccccc1)CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824385283 608540607 /nfs/dbraw/zinc/54/06/07/608540607.db2.gz PMAOFWIGJWIKKZ-LBPRGKRZSA-N -1 3 355.833 3.582 20 30 FHEDHM C[C@@H](CCc1ccccc1)CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824385283 608540608 /nfs/dbraw/zinc/54/06/08/608540608.db2.gz PMAOFWIGJWIKKZ-LBPRGKRZSA-N -1 3 355.833 3.582 20 30 FHEDHM O=C(C=Cc1ncc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826402785 608875329 /nfs/dbraw/zinc/87/53/29/608875329.db2.gz BRESRDADJTZHTM-KHPPLWFESA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1ncc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826402785 608875332 /nfs/dbraw/zinc/87/53/32/608875332.db2.gz BRESRDADJTZHTM-KHPPLWFESA-N -1 3 359.414 3.886 20 30 FHEDHM CSc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000826230287 608879504 /nfs/dbraw/zinc/87/95/04/608879504.db2.gz MLOLPBKIGOCGQC-ZZXKWVIFSA-N -1 3 358.373 3.763 20 30 FHEDHM CSc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000826230287 608879505 /nfs/dbraw/zinc/87/95/05/608879505.db2.gz MLOLPBKIGOCGQC-ZZXKWVIFSA-N -1 3 358.373 3.763 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(-c2ccncc2)c1 ZINC000826400970 608881461 /nfs/dbraw/zinc/88/14/61/608881461.db2.gz MDESATUNIYTDNK-ALCCZGGFSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(-c2ccncc2)c1 ZINC000826400970 608881463 /nfs/dbraw/zinc/88/14/63/608881463.db2.gz MDESATUNIYTDNK-ALCCZGGFSA-N -1 3 371.375 3.964 20 30 FHEDHM CC(C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824323935 609269237 /nfs/dbraw/zinc/26/92/37/609269237.db2.gz DNESUJHSRTWSAT-BJMVGYQFSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824323935 609269238 /nfs/dbraw/zinc/26/92/38/609269238.db2.gz DNESUJHSRTWSAT-BJMVGYQFSA-N -1 3 352.369 3.689 20 30 FHEDHM O=C(C=Cc1cc2cc(F)ccc2o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400360 609271284 /nfs/dbraw/zinc/27/12/84/609271284.db2.gz WRZSJCXFMKCDRD-HYXAFXHYSA-N -1 3 352.300 3.787 20 30 FHEDHM O=C(C=Cc1cc2cc(F)ccc2o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400360 609271286 /nfs/dbraw/zinc/27/12/86/609271286.db2.gz WRZSJCXFMKCDRD-HYXAFXHYSA-N -1 3 352.300 3.787 20 30 FHEDHM N#Cc1ccc(CSc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000826385009 609311406 /nfs/dbraw/zinc/31/14/06/609311406.db2.gz TWROFJZSJLCSJZ-UHFFFAOYSA-N -1 3 372.251 3.793 20 30 FHEDHM N#Cc1ccc(CSc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826385009 609311407 /nfs/dbraw/zinc/31/14/07/609311407.db2.gz TWROFJZSJLCSJZ-UHFFFAOYSA-N -1 3 372.251 3.793 20 30 FHEDHM C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824530291 609343149 /nfs/dbraw/zinc/34/31/49/609343149.db2.gz KONCDTYBGZIXEV-FZKQIMNGSA-N -1 3 350.401 3.701 20 30 FHEDHM C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824530291 609343151 /nfs/dbraw/zinc/34/31/51/609343151.db2.gz KONCDTYBGZIXEV-FZKQIMNGSA-N -1 3 350.401 3.701 20 30 FHEDHM COc1ccc(C=C2CCc3[nH]c4ccccc4c3C2=O)cc1-c1nnn[n-]1 ZINC000826190453 609368534 /nfs/dbraw/zinc/36/85/34/609368534.db2.gz BTQWRVKUSMZUNX-JLHYYAGUSA-N -1 3 371.400 3.569 20 30 FHEDHM COc1ccc(C=C2CCc3[nH]c4ccccc4c3C2=O)cc1-c1nn[n-]n1 ZINC000826190453 609368535 /nfs/dbraw/zinc/36/85/35/609368535.db2.gz BTQWRVKUSMZUNX-JLHYYAGUSA-N -1 3 371.400 3.569 20 30 FHEDHM COc1cccc(F)c1C(C)=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826216571 609471590 /nfs/dbraw/zinc/47/15/90/609471590.db2.gz FLCMBNCWPQUMEV-UHFFFAOYSA-N -1 3 360.780 3.504 20 30 FHEDHM COc1cccc(F)c1C(C)=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826216571 609471591 /nfs/dbraw/zinc/47/15/91/609471591.db2.gz FLCMBNCWPQUMEV-UHFFFAOYSA-N -1 3 360.780 3.504 20 30 FHEDHM N#CCCSc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826382170 609479192 /nfs/dbraw/zinc/47/91/92/609479192.db2.gz RESWCKGMTMVUQE-UHFFFAOYSA-N -1 3 354.414 3.624 20 30 FHEDHM N#CCCSc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826382170 609479193 /nfs/dbraw/zinc/47/91/93/609479193.db2.gz RESWCKGMTMVUQE-UHFFFAOYSA-N -1 3 354.414 3.624 20 30 FHEDHM Cc1ccnc(NCc2ccc(-c3ccccc3C#N)cc2)c1-c1nnn[n-]1 ZINC000826313987 609585352 /nfs/dbraw/zinc/58/53/52/609585352.db2.gz ARQDYDMOPYMUPC-UHFFFAOYSA-N -1 3 367.416 3.721 20 30 FHEDHM Cc1ccnc(NCc2ccc(-c3ccccc3C#N)cc2)c1-c1nn[n-]n1 ZINC000826313987 609585354 /nfs/dbraw/zinc/58/53/54/609585354.db2.gz ARQDYDMOPYMUPC-UHFFFAOYSA-N -1 3 367.416 3.721 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000162659668 937230282 /nfs/dbraw/zinc/23/02/82/937230282.db2.gz WWOTYQBPWVXCID-RNODOKPDSA-N -1 3 363.461 3.551 20 30 FHEDHM COc1cc(OC)c(OC)cc1N=Cc1cc(Br)ccc1[O-] ZINC000255173650 930289792 /nfs/dbraw/zinc/28/97/92/930289792.db2.gz MQHSCCCGQGQKRN-UHFFFAOYSA-N -1 3 366.211 3.931 20 30 FHEDHM CCC[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000050208020 930636761 /nfs/dbraw/zinc/63/67/61/930636761.db2.gz PQYLDEPJCAKVEY-LJQANCHMSA-N -1 3 352.434 3.881 20 30 FHEDHM Cc1ccc(N=Cc2cc(Br)ccc2[O-])cc1C(=O)N(C)C ZINC000255328569 932339217 /nfs/dbraw/zinc/33/92/17/932339217.db2.gz CFVMMHOMMKIYFI-UHFFFAOYSA-N -1 3 361.239 3.916 20 30 FHEDHM N#CC(=C([O-])c1c[nH]nc1-c1c(F)cccc1F)c1nc2ccccc2[nH]1 ZINC000155674265 932600019 /nfs/dbraw/zinc/60/00/19/932600019.db2.gz FRHNFAAHSXWZAY-SNVBAGLBSA-N -1 3 363.327 3.721 20 30 FHEDHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccc(C#N)c1 ZINC000610811723 934449912 /nfs/dbraw/zinc/44/99/12/934449912.db2.gz MYSKJMNNMVDDTH-LLVKDONJSA-N -1 3 374.238 3.587 20 30 FHEDHM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000610855916 934519188 /nfs/dbraw/zinc/51/91/88/934519188.db2.gz QWCKXODUZHEDMG-UHFFFAOYSA-N -1 3 357.822 3.869 20 30 FHEDHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3cc(C#N)cs3)n[nH]2)cc1 ZINC000084283020 934812018 /nfs/dbraw/zinc/81/20/18/934812018.db2.gz SZTGWSSUXOOUEM-UHFFFAOYSA-N -1 3 351.435 3.955 20 30 FHEDHM C=CCOc1ccc(CN[C@H](CC(=O)[O-])c2cccc(OC)c2)cc1OC ZINC000277359275 935014135 /nfs/dbraw/zinc/01/41/35/935014135.db2.gz PTCGQSLMTNFYRP-GOSISDBHSA-N -1 3 371.433 3.574 20 30 FHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000437171717 945080484 /nfs/dbraw/zinc/08/04/84/945080484.db2.gz MAZNTCYTOZNHNG-UHFFFAOYSA-N -1 3 350.359 3.977 20 30 FHEDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000519098453 945120225 /nfs/dbraw/zinc/12/02/25/945120225.db2.gz JLTAZTFXZYUOHQ-UHFFFAOYSA-N -1 3 365.396 3.519 20 30 FHEDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000519098453 945120233 /nfs/dbraw/zinc/12/02/33/945120233.db2.gz JLTAZTFXZYUOHQ-UHFFFAOYSA-N -1 3 365.396 3.519 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cccc(-c2ccncc2)c1 ZINC000737797509 945127076 /nfs/dbraw/zinc/12/70/76/945127076.db2.gz JHMYMVOTEFAHNA-BQYQJAHWSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cccc(-c2ccncc2)c1 ZINC000737797509 945127081 /nfs/dbraw/zinc/12/70/81/945127081.db2.gz JHMYMVOTEFAHNA-BQYQJAHWSA-N -1 3 353.385 3.825 20 30 FHEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000509579564 945134099 /nfs/dbraw/zinc/13/40/99/945134099.db2.gz VFRZTEAWNFKXNO-CYBMUJFWSA-N -1 3 356.307 3.981 20 30 FHEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3coc(C4CCOCC4)n3)sc2C1 ZINC000582737374 936041004 /nfs/dbraw/zinc/04/10/04/936041004.db2.gz AKMZSMHVRWLSOX-NSHDSACASA-N -1 3 371.462 3.879 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2ccc3c(c2)CCC3)no1 ZINC000277907032 936145075 /nfs/dbraw/zinc/14/50/75/936145075.db2.gz MEZBRYYEGPWQOP-UHFFFAOYSA-N -1 3 374.444 3.523 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583449527 938258698 /nfs/dbraw/zinc/25/86/98/938258698.db2.gz NLFALNQHDUVYFQ-NSHDSACASA-N -1 3 354.435 3.564 20 30 FHEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cc(Cl)ccc1Cl ZINC001211597787 938408513 /nfs/dbraw/zinc/40/85/13/938408513.db2.gz DCRBNRBSHBLACB-QMMMGPOBSA-N -1 3 361.275 3.966 20 30 FHEDHM Cn1cc([C@@H]([N-]C(=O)c2cc(C(F)(F)F)ccc2F)C(F)(F)F)cn1 ZINC000278468215 938457433 /nfs/dbraw/zinc/45/74/33/938457433.db2.gz ZXADFWJMHASQHZ-LLVKDONJSA-N -1 3 369.240 3.611 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1F ZINC000427220942 945195103 /nfs/dbraw/zinc/19/51/03/945195103.db2.gz WYXDDZYEMMJWAS-UHFFFAOYSA-N -1 3 362.279 3.656 20 30 FHEDHM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000892489675 940024374 /nfs/dbraw/zinc/02/43/74/940024374.db2.gz MAASBFAXLZOESP-GFCCVEGCSA-N -1 3 356.813 3.523 20 30 FHEDHM CCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000177596540 940301191 /nfs/dbraw/zinc/30/11/91/940301191.db2.gz FXHNUOIHKDDACB-OAHLLOKOSA-N -1 3 371.780 3.772 20 30 FHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccn(C2CCCC2)n1 ZINC000177687082 940357722 /nfs/dbraw/zinc/35/77/22/940357722.db2.gz VLSHPFGRIXYXFJ-OAHLLOKOSA-N -1 3 356.813 3.613 20 30 FHEDHM COc1cc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1C ZINC000580354870 940473753 /nfs/dbraw/zinc/47/37/53/940473753.db2.gz XOSBYMPLRFDIKL-UHFFFAOYSA-N -1 3 350.827 3.638 20 30 FHEDHM N#C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(Cl)c1Cl ZINC000066392184 940477717 /nfs/dbraw/zinc/47/77/17/940477717.db2.gz ZKXHVXNQWAOEEA-OAHLLOKOSA-N -1 3 372.211 3.830 20 30 FHEDHM Cn1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1-c1ccccc1 ZINC000659053277 941055069 /nfs/dbraw/zinc/05/50/69/941055069.db2.gz OOKAKPAMYJRWDX-KRWDZBQOSA-N -1 3 359.433 3.500 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(C1)CCCCCC2 ZINC000376784919 941429231 /nfs/dbraw/zinc/42/92/31/941429231.db2.gz RJAUDHAHSAZPKK-UHFFFAOYSA-N -1 3 355.482 3.781 20 30 FHEDHM C=CCOc1ccccc1C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000377444365 941725192 /nfs/dbraw/zinc/72/51/92/941725192.db2.gz DWMILKXZUATOCW-UHFFFAOYSA-N -1 3 361.401 3.975 20 30 FHEDHM Cc1cc([O-])c(I)c(O[C@H](C)C#C[Si](C)(C)C)c1 ZINC001225512179 941831376 /nfs/dbraw/zinc/83/13/76/941831376.db2.gz ZBHDVHATEXETHG-LLVKDONJSA-N -1 3 374.294 3.953 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccsc2Cl)no1 ZINC000420505160 942087571 /nfs/dbraw/zinc/08/75/71/942087571.db2.gz TZXROTKRQPERMV-UHFFFAOYSA-N -1 3 360.826 3.826 20 30 FHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cccc(F)c2o1 ZINC000122895206 942456209 /nfs/dbraw/zinc/45/62/09/942456209.db2.gz JVNKOTIVRLGJCZ-ZDUSSCGKSA-N -1 3 366.348 3.932 20 30 FHEDHM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)CCOCC3CC3)c2)cc1 ZINC000424069632 943708591 /nfs/dbraw/zinc/70/85/91/943708591.db2.gz VWCHSZQQTHKMQR-UHFFFAOYSA-N -1 3 372.446 3.519 20 30 FHEDHM C=C[C@@H](CCC(=O)[O-])NCc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000417604511 943745710 /nfs/dbraw/zinc/74/57/10/943745710.db2.gz BTNDLQNLDIMWPW-KRWDZBQOSA-N -1 3 355.482 3.987 20 30 FHEDHM C=C[C@@](C)(O)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436706725 944546065 /nfs/dbraw/zinc/54/60/65/944546065.db2.gz NFJNGXVSSBFWBL-LJQANCHMSA-N -1 3 354.431 3.935 20 30 FHEDHM CC(C)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c([O-])c1 ZINC000436757169 944599564 /nfs/dbraw/zinc/59/95/64/944599564.db2.gz HDUIWJCSNFCYGZ-FQEVSTJZSA-N -1 3 363.461 3.538 20 30 FHEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1OC ZINC000426745588 944760046 /nfs/dbraw/zinc/76/00/46/944760046.db2.gz VISRILPWZKBZLE-FQEVSTJZSA-N -1 3 355.434 3.792 20 30 FHEDHM N#CCCCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426727989 944761077 /nfs/dbraw/zinc/76/10/77/944761077.db2.gz RWBZXCQXNYALJL-GOSISDBHSA-N -1 3 358.825 3.938 20 30 FHEDHM CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736348397 944805605 /nfs/dbraw/zinc/80/56/05/944805605.db2.gz AXCSJJFZHCQKFD-AWEZNQCLSA-N -1 3 352.442 3.673 20 30 FHEDHM CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736348397 944805614 /nfs/dbraw/zinc/80/56/14/944805614.db2.gz AXCSJJFZHCQKFD-AWEZNQCLSA-N -1 3 352.442 3.673 20 30 FHEDHM CC[C@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736351078 944807575 /nfs/dbraw/zinc/80/75/75/944807575.db2.gz QDXAJELYEHTEPV-CQSZACIVSA-N -1 3 352.442 3.673 20 30 FHEDHM CC[C@H](CC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736351078 944807578 /nfs/dbraw/zinc/80/75/78/944807578.db2.gz QDXAJELYEHTEPV-CQSZACIVSA-N -1 3 352.442 3.673 20 30 FHEDHM C=CCc1cc(CN[C@H](C(=O)[O-])c2ccc(CC)cc2)cc(OC)c1O ZINC000426798873 944819588 /nfs/dbraw/zinc/81/95/88/944819588.db2.gz GNOTYZCKRLDILX-IBGZPJMESA-N -1 3 355.434 3.607 20 30 FHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CCO2 ZINC000822212793 945995931 /nfs/dbraw/zinc/99/59/31/945995931.db2.gz HTHAFBNHQZNKKL-KPKJPENVSA-N -1 3 352.419 3.594 20 30 FHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CCO2 ZINC000822212793 945995943 /nfs/dbraw/zinc/99/59/43/945995943.db2.gz HTHAFBNHQZNKKL-KPKJPENVSA-N -1 3 352.419 3.594 20 30 FHEDHM C#CCC(C)(C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@@H](C)CC2 ZINC001573280040 946655286 /nfs/dbraw/zinc/65/52/86/946655286.db2.gz MPLPFPJMGMZIJM-QWRGUYRKSA-N -1 3 357.483 3.602 20 30 FHEDHM C#CCC(C)(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@@H](C)CC2 ZINC001573280040 946655289 /nfs/dbraw/zinc/65/52/89/946655289.db2.gz MPLPFPJMGMZIJM-QWRGUYRKSA-N -1 3 357.483 3.602 20 30 FHEDHM CCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825339148 947159762 /nfs/dbraw/zinc/15/97/62/947159762.db2.gz OUSRGDUZSMHCEV-BJMVGYQFSA-N -1 3 352.369 3.691 20 30 FHEDHM CCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825339148 947159769 /nfs/dbraw/zinc/15/97/69/947159769.db2.gz OUSRGDUZSMHCEV-BJMVGYQFSA-N -1 3 352.369 3.691 20 30 FHEDHM C=CC(C)(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC001573305765 947160412 /nfs/dbraw/zinc/16/04/12/947160412.db2.gz GAJRLFOUMXYRPG-UHFFFAOYSA-N -1 3 364.453 3.815 20 30 FHEDHM C=CC(C)(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC001573305765 947160415 /nfs/dbraw/zinc/16/04/15/947160415.db2.gz GAJRLFOUMXYRPG-UHFFFAOYSA-N -1 3 364.453 3.815 20 30 FHEDHM N#Cc1ccc(Nc2cccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2)cc1 ZINC000523409724 947219565 /nfs/dbraw/zinc/21/95/65/947219565.db2.gz MRSDZYUZWJOGHF-UHFFFAOYSA-N -1 3 370.372 3.932 20 30 FHEDHM O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc([O-])ccc1Cl ZINC000330591420 947221694 /nfs/dbraw/zinc/22/16/94/947221694.db2.gz QVMMNZCGCBMECW-OTYXRUKQSA-N -1 3 351.752 3.834 20 30 FHEDHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c([O-])c1 ZINC000331238298 947378799 /nfs/dbraw/zinc/37/87/99/947378799.db2.gz NRQNVQQWDMLWLV-AWEZNQCLSA-N -1 3 372.387 3.585 20 30 FHEDHM C=CCC(CC=C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001573326812 947381162 /nfs/dbraw/zinc/38/11/62/947381162.db2.gz WEQSOBDPSAXIRD-UHFFFAOYSA-N -1 3 355.442 3.751 20 30 FHEDHM C=CCC(CC=C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001573326812 947381172 /nfs/dbraw/zinc/38/11/72/947381172.db2.gz WEQSOBDPSAXIRD-UHFFFAOYSA-N -1 3 355.442 3.751 20 30 FHEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1SC ZINC000826178667 947553703 /nfs/dbraw/zinc/55/37/03/947553703.db2.gz HILIWHZKOLLDIK-XVNBXDOJSA-N -1 3 370.409 3.632 20 30 FHEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1SC ZINC000826178667 947553706 /nfs/dbraw/zinc/55/37/06/947553706.db2.gz HILIWHZKOLLDIK-XVNBXDOJSA-N -1 3 370.409 3.632 20 30 FHEDHM CC#CCCCC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001573358807 947670573 /nfs/dbraw/zinc/67/05/73/947670573.db2.gz RAKCIJNMCJPXAU-UHFFFAOYSA-N -1 3 361.405 3.791 20 30 FHEDHM CC#CCCCC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001573358807 947670578 /nfs/dbraw/zinc/67/05/78/947670578.db2.gz RAKCIJNMCJPXAU-UHFFFAOYSA-N -1 3 361.405 3.791 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc2cccnc12 ZINC000826266556 947770191 /nfs/dbraw/zinc/77/01/91/947770191.db2.gz SUUPBKQLLDQGDH-DAXSKMNVSA-N -1 3 359.364 3.759 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc2cccnc12 ZINC000826266556 947770196 /nfs/dbraw/zinc/77/01/96/947770196.db2.gz SUUPBKQLLDQGDH-DAXSKMNVSA-N -1 3 359.364 3.759 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc2cccnc12 ZINC000826266753 947771051 /nfs/dbraw/zinc/77/10/51/947771051.db2.gz ZXQYSBQMOQYMQW-DAXSKMNVSA-N -1 3 359.364 3.759 20 30 FHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc2cccnc12 ZINC000826266753 947771058 /nfs/dbraw/zinc/77/10/58/947771058.db2.gz ZXQYSBQMOQYMQW-DAXSKMNVSA-N -1 3 359.364 3.759 20 30 FHEDHM COc1cc(C(=O)/C=C/c2cccc(OC)c2OC(F)F)ccc1[O-] ZINC000008322776 948122500 /nfs/dbraw/zinc/12/25/00/948122500.db2.gz ZWFTWDLUPLFRKV-SOFGYWHQSA-N -1 3 350.317 3.907 20 30 FHEDHM O=C(C=Cc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403017 948227826 /nfs/dbraw/zinc/22/78/26/948227826.db2.gz HYEZPXNXYLUNOO-SOFGYWHQSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403017 948227835 /nfs/dbraw/zinc/22/78/35/948227835.db2.gz HYEZPXNXYLUNOO-SOFGYWHQSA-N -1 3 360.295 3.503 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ncc(C(C)(C)C)s1 ZINC000279283827 948704298 /nfs/dbraw/zinc/70/42/98/948704298.db2.gz LQNCYXDXHGBKKM-UHFFFAOYSA-N -1 3 373.478 3.706 20 30 FHEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000604890509 568381821 /nfs/dbraw/zinc/38/18/21/568381821.db2.gz MFMCMKIXOLNRHW-MRVPVSSYSA-N -1 3 372.206 3.711 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738289072 598862499 /nfs/dbraw/zinc/86/24/99/598862499.db2.gz FUNUCSMFGGQNIS-XFXZXTDPSA-N -1 3 352.781 3.569 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738289072 598862501 /nfs/dbraw/zinc/86/25/01/598862501.db2.gz FUNUCSMFGGQNIS-XFXZXTDPSA-N -1 3 352.781 3.569 20 30 FHEDHM CC[C@H](C)[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000736320746 598918308 /nfs/dbraw/zinc/91/83/08/598918308.db2.gz WUQJAJLHFCIOGI-UGSOOPFHSA-N -1 3 360.421 3.507 20 30 FHEDHM CC[C@H](C)[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000736320746 598918310 /nfs/dbraw/zinc/91/83/10/598918310.db2.gz WUQJAJLHFCIOGI-UGSOOPFHSA-N -1 3 360.421 3.507 20 30 FHEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)oc2c1c(C)ccc2C ZINC000737325213 598928611 /nfs/dbraw/zinc/92/86/11/598928611.db2.gz BGBURCCSLYGTRQ-UHFFFAOYSA-N -1 3 372.388 3.662 20 30 FHEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)oc2c1c(C)ccc2C ZINC000737325213 598928613 /nfs/dbraw/zinc/92/86/13/598928613.db2.gz BGBURCCSLYGTRQ-UHFFFAOYSA-N -1 3 372.388 3.662 20 30 FHEDHM Cc1ccc(-c2ccc(C=NNCc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000822213789 607253887 /nfs/dbraw/zinc/25/38/87/607253887.db2.gz ATFGCCMNGYDYAR-UHFFFAOYSA-N -1 3 358.405 3.559 20 30 FHEDHM Cc1ccc(-c2ccc(C=NNCc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000822213789 607253888 /nfs/dbraw/zinc/25/38/88/607253888.db2.gz ATFGCCMNGYDYAR-UHFFFAOYSA-N -1 3 358.405 3.559 20 30 FHEDHM N#C[C@H](Sc1nc2c(cc1-c1nnn[n-]1)CCCC2)C1CCCCC1 ZINC000737674342 599013449 /nfs/dbraw/zinc/01/34/49/599013449.db2.gz JETIBUXTXBWFHI-INIZCTEOSA-N -1 3 354.483 3.705 20 30 FHEDHM N#C[C@H](Sc1nc2c(cc1-c1nn[n-]n1)CCCC2)C1CCCCC1 ZINC000737674342 599013450 /nfs/dbraw/zinc/01/34/50/599013450.db2.gz JETIBUXTXBWFHI-INIZCTEOSA-N -1 3 354.483 3.705 20 30 FHEDHM N#Cc1ccccc1Oc1ccc(Nc2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000822842804 599111518 /nfs/dbraw/zinc/11/15/18/599111518.db2.gz ZOGHAMHCVFFUBC-UHFFFAOYSA-N -1 3 373.351 3.808 20 30 FHEDHM N#Cc1ccccc1Oc1ccc(Nc2ccc(-c3nn[n-]n3)cn2)cc1F ZINC000822842804 599111521 /nfs/dbraw/zinc/11/15/21/599111521.db2.gz ZOGHAMHCVFFUBC-UHFFFAOYSA-N -1 3 373.351 3.808 20 30 FHEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(Cl)c1 ZINC000821787741 599113212 /nfs/dbraw/zinc/11/32/12/599113212.db2.gz ZGGZQYFUSRJSQK-LCYFTJDESA-N -1 3 366.808 3.741 20 30 FHEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(Cl)c1 ZINC000821787741 599113217 /nfs/dbraw/zinc/11/32/17/599113217.db2.gz ZGGZQYFUSRJSQK-LCYFTJDESA-N -1 3 366.808 3.741 20 30 FHEDHM COc1ccc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000737082059 599127845 /nfs/dbraw/zinc/12/78/45/599127845.db2.gz TUZQHJFMEIWTCY-AWEZNQCLSA-N -1 3 364.453 3.683 20 30 FHEDHM COc1ccc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000737082059 599127847 /nfs/dbraw/zinc/12/78/47/599127847.db2.gz TUZQHJFMEIWTCY-AWEZNQCLSA-N -1 3 364.453 3.683 20 30 FHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000737797686 599155882 /nfs/dbraw/zinc/15/58/82/599155882.db2.gz DZPXTMPTRPWAPS-CMDGGOBGSA-N -1 3 374.322 3.704 20 30 FHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000737797686 599155885 /nfs/dbraw/zinc/15/58/85/599155885.db2.gz DZPXTMPTRPWAPS-CMDGGOBGSA-N -1 3 374.322 3.704 20 30 FHEDHM CC(C)[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000735706687 599198961 /nfs/dbraw/zinc/19/89/61/599198961.db2.gz CMSJGMAAEDBCJA-SFHVURJKSA-N -1 3 360.421 3.507 20 30 FHEDHM CC(C)[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000735706687 599198963 /nfs/dbraw/zinc/19/89/63/599198963.db2.gz CMSJGMAAEDBCJA-SFHVURJKSA-N -1 3 360.421 3.507 20 30 FHEDHM CCCC=CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736434343 599218299 /nfs/dbraw/zinc/21/82/99/599218299.db2.gz DXRBFMDUTJTKCC-ISZGNANSSA-N -1 3 364.434 3.523 20 30 FHEDHM CCCC=CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736434343 599218301 /nfs/dbraw/zinc/21/83/01/599218301.db2.gz DXRBFMDUTJTKCC-ISZGNANSSA-N -1 3 364.434 3.523 20 30 FHEDHM CCCC=CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736434344 599218381 /nfs/dbraw/zinc/21/83/81/599218381.db2.gz DXRBFMDUTJTKCC-NNTXTVRGSA-N -1 3 364.434 3.523 20 30 FHEDHM CCCC=CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736434344 599218383 /nfs/dbraw/zinc/21/83/83/599218383.db2.gz DXRBFMDUTJTKCC-NNTXTVRGSA-N -1 3 364.434 3.523 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](CC)CCCC ZINC000735420960 599223653 /nfs/dbraw/zinc/22/36/53/599223653.db2.gz VXQAPOVQGHHJJY-MRXNPFEDSA-N -1 3 355.486 3.988 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](CC)CCCC ZINC000735420960 599223655 /nfs/dbraw/zinc/22/36/55/599223655.db2.gz VXQAPOVQGHHJJY-MRXNPFEDSA-N -1 3 355.486 3.988 20 30 FHEDHM Cc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000737329532 598316009 /nfs/dbraw/zinc/31/60/09/598316009.db2.gz MMJVPKFALZBZQF-UHFFFAOYSA-N -1 3 352.345 3.701 20 30 FHEDHM Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000737329532 598316011 /nfs/dbraw/zinc/31/60/11/598316011.db2.gz MMJVPKFALZBZQF-UHFFFAOYSA-N -1 3 352.345 3.701 20 30 FHEDHM CC(C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2)=Cc1ccccc1 ZINC000735964277 598376445 /nfs/dbraw/zinc/37/64/45/598376445.db2.gz XKOHXLQFMDYKHR-SVEAWWMOSA-N -1 3 359.433 3.765 20 30 FHEDHM CC(C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2)=Cc1ccccc1 ZINC000735964277 598376447 /nfs/dbraw/zinc/37/64/47/598376447.db2.gz XKOHXLQFMDYKHR-SVEAWWMOSA-N -1 3 359.433 3.765 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cccc(OC(F)(F)F)c1 ZINC000737797133 598492773 /nfs/dbraw/zinc/49/27/73/598492773.db2.gz INJOSKZMUCFRIF-FPLPWBNLSA-N -1 3 360.295 3.661 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cccc(OC(F)(F)F)c1 ZINC000737797133 598492774 /nfs/dbraw/zinc/49/27/74/598492774.db2.gz INJOSKZMUCFRIF-FPLPWBNLSA-N -1 3 360.295 3.661 20 30 FHEDHM N#CCCSc1ccccc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737695597 598512110 /nfs/dbraw/zinc/51/21/10/598512110.db2.gz VFANKCPLZSIJQE-UHFFFAOYSA-N -1 3 365.422 3.516 20 30 FHEDHM N#CCCSc1ccccc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737695597 598512112 /nfs/dbraw/zinc/51/21/12/598512112.db2.gz VFANKCPLZSIJQE-UHFFFAOYSA-N -1 3 365.422 3.516 20 30 FHEDHM C=CC1CCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000735403000 598666253 /nfs/dbraw/zinc/66/62/53/598666253.db2.gz MTYYESAISREIID-UHFFFAOYSA-N -1 3 359.433 3.572 20 30 FHEDHM C=CC1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000735403000 598666255 /nfs/dbraw/zinc/66/62/55/598666255.db2.gz MTYYESAISREIID-UHFFFAOYSA-N -1 3 359.433 3.572 20 30 FHEDHM CCc1oc2ccccc2c1C=NOCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736712393 598674416 /nfs/dbraw/zinc/67/44/16/598674416.db2.gz FXVZHFOVTVXSRE-UHFFFAOYSA-N -1 3 365.368 3.865 20 30 FHEDHM CCc1oc2ccccc2c1C=NOCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736712393 598674418 /nfs/dbraw/zinc/67/44/18/598674418.db2.gz FXVZHFOVTVXSRE-UHFFFAOYSA-N -1 3 365.368 3.865 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000735418348 598751399 /nfs/dbraw/zinc/75/13/99/598751399.db2.gz BJHLNZIAFCISSL-UHFFFAOYSA-N -1 3 356.499 3.632 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000735418348 598751401 /nfs/dbraw/zinc/75/14/01/598751401.db2.gz BJHLNZIAFCISSL-UHFFFAOYSA-N -1 3 356.499 3.632 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735416839 598760050 /nfs/dbraw/zinc/76/00/50/598760050.db2.gz ROYXUQQPRZMWOR-HNNXBMFYSA-N -1 3 368.485 3.706 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735416839 598760052 /nfs/dbraw/zinc/76/00/52/598760052.db2.gz ROYXUQQPRZMWOR-HNNXBMFYSA-N -1 3 368.485 3.706 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735416532 598760076 /nfs/dbraw/zinc/76/00/76/598760076.db2.gz MSSLEFTXCOSEJU-UHFFFAOYSA-N -1 3 358.421 3.606 20 30 FHEDHM C=CCN(CC1CCCCC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735416532 598760079 /nfs/dbraw/zinc/76/00/79/598760079.db2.gz MSSLEFTXCOSEJU-UHFFFAOYSA-N -1 3 358.421 3.606 20 30 FHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738290580 598788315 /nfs/dbraw/zinc/78/83/15/598788315.db2.gz QTFPAYWZSUBKRB-XFFZJAGNSA-N -1 3 357.200 3.996 20 30 FHEDHM O=C1c2ccc(Cl)c(Cl)c2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738290580 598788317 /nfs/dbraw/zinc/78/83/17/598788317.db2.gz QTFPAYWZSUBKRB-XFFZJAGNSA-N -1 3 357.200 3.996 20 30 FHEDHM COc1ccc(C#N)cc1CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821770478 607368452 /nfs/dbraw/zinc/36/84/52/607368452.db2.gz VBIHMLMJTGKOED-GFCCVEGCSA-N -1 3 351.435 3.741 20 30 FHEDHM COc1ccc(C#N)cc1CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821770478 607368453 /nfs/dbraw/zinc/36/84/53/607368453.db2.gz VBIHMLMJTGKOED-GFCCVEGCSA-N -1 3 351.435 3.741 20 30 FHEDHM C[C@H](SCCOc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188177 599326019 /nfs/dbraw/zinc/32/60/19/599326019.db2.gz ILMKLSPQYGHYNU-ZDUSSCGKSA-N -1 3 351.435 3.612 20 30 FHEDHM C[C@H](SCCOc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188177 599326021 /nfs/dbraw/zinc/32/60/21/599326021.db2.gz ILMKLSPQYGHYNU-ZDUSSCGKSA-N -1 3 351.435 3.612 20 30 FHEDHM Cc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)c(OC(F)F)cc1C ZINC000822198755 599334948 /nfs/dbraw/zinc/33/49/48/599334948.db2.gz JCJDMQYAYRICQD-UHFFFAOYSA-N -1 3 358.352 3.531 20 30 FHEDHM Cc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)c(OC(F)F)cc1C ZINC000822198755 599334951 /nfs/dbraw/zinc/33/49/51/599334951.db2.gz JCJDMQYAYRICQD-UHFFFAOYSA-N -1 3 358.352 3.531 20 30 FHEDHM CC(C)Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735850109 599459916 /nfs/dbraw/zinc/45/99/16/599459916.db2.gz OSKZDFUQMHGNAH-CMDGGOBGSA-N -1 3 372.432 3.609 20 30 FHEDHM CC(C)Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735850109 599459918 /nfs/dbraw/zinc/45/99/18/599459918.db2.gz OSKZDFUQMHGNAH-CMDGGOBGSA-N -1 3 372.432 3.609 20 30 FHEDHM CC[C@@H](C#N)Oc1cccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736847574 600437532 /nfs/dbraw/zinc/43/75/32/600437532.db2.gz DQGGFRGBPVTEJI-WMZOPIPTSA-N -1 3 358.825 3.936 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000822924123 607455184 /nfs/dbraw/zinc/45/51/84/607455184.db2.gz YADAOEDPKAYOEI-SREVYHEPSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C(F)(F)F)c1 ZINC000822924123 607455185 /nfs/dbraw/zinc/45/51/85/607455185.db2.gz YADAOEDPKAYOEI-SREVYHEPSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1C(F)(F)F ZINC000822921942 607455378 /nfs/dbraw/zinc/45/53/78/607455378.db2.gz ASEMVQQUMQXTIX-FPLPWBNLSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C(F)(F)F ZINC000822921942 607455379 /nfs/dbraw/zinc/45/53/79/607455379.db2.gz ASEMVQQUMQXTIX-FPLPWBNLSA-N -1 3 362.286 3.921 20 30 FHEDHM N#Cc1ccc([C@@H](N[C@@H]2CCc3cc(Br)ccc32)C(=O)[O-])cc1 ZINC000739107514 600596313 /nfs/dbraw/zinc/59/63/13/600596313.db2.gz RLLAMPFNZUKCRV-IAGOWNOFSA-N -1 3 371.234 3.724 20 30 FHEDHM CC(C)Oc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820155264 607457588 /nfs/dbraw/zinc/45/75/88/607457588.db2.gz MWBBWBOHMLIFBQ-JXMROGBWSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820155264 607457590 /nfs/dbraw/zinc/45/75/90/607457590.db2.gz MWBBWBOHMLIFBQ-JXMROGBWSA-N -1 3 352.369 3.689 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504167 607460623 /nfs/dbraw/zinc/46/06/23/607460623.db2.gz MXQQHHNVVUFRGP-YRNVUSSQSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504167 607460624 /nfs/dbraw/zinc/46/06/24/607460624.db2.gz MXQQHHNVVUFRGP-YRNVUSSQSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1c[nH]c2cc(F)ccc12 ZINC000822924141 607460943 /nfs/dbraw/zinc/46/09/43/607460943.db2.gz YLCAVHKRYBHZEL-ZZXKWVIFSA-N -1 3 351.316 3.522 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1c[nH]c2cc(F)ccc12 ZINC000822924141 607460945 /nfs/dbraw/zinc/46/09/45/607460945.db2.gz YLCAVHKRYBHZEL-ZZXKWVIFSA-N -1 3 351.316 3.522 20 30 FHEDHM Cc1ccc(C(=O)C2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832912244 601311883 /nfs/dbraw/zinc/31/18/83/601311883.db2.gz WIYVVKOYMHBPLQ-HXUWFJFHSA-N -1 3 362.429 3.587 20 30 FHEDHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000826051199 601656534 /nfs/dbraw/zinc/65/65/34/601656534.db2.gz BHKHQABBPFTYEV-YVEFUNNKSA-N -1 3 360.360 3.711 20 30 FHEDHM CCN(CC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)C(=O)[O-] ZINC000739384541 602864399 /nfs/dbraw/zinc/86/43/99/602864399.db2.gz HOSQUVWIHSWQNF-GFCCVEGCSA-N -1 3 363.826 3.640 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Br)cc1 ZINC000822923036 606302750 /nfs/dbraw/zinc/30/27/50/606302750.db2.gz NCLQEYYFIJDHEZ-WAYWQWQTSA-N -1 3 361.224 3.587 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Br)cc1 ZINC000822923036 606302752 /nfs/dbraw/zinc/30/27/52/606302752.db2.gz NCLQEYYFIJDHEZ-WAYWQWQTSA-N -1 3 361.224 3.587 20 30 FHEDHM O=C(C=Cc1cnc(-c2cccs2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822937055 606340000 /nfs/dbraw/zinc/34/00/00/606340000.db2.gz ZIJXWLKCQCYALY-FPLPWBNLSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1cnc(-c2cccs2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822937055 606340003 /nfs/dbraw/zinc/34/00/03/606340003.db2.gz ZIJXWLKCQCYALY-FPLPWBNLSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Br)cc1 ZINC000822924258 606388359 /nfs/dbraw/zinc/38/83/59/606388359.db2.gz ZOSJWMYSPGDIKJ-FNORWQNLSA-N -1 3 361.224 3.587 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(-c2ccncc2)c1 ZINC000822923795 606392577 /nfs/dbraw/zinc/39/25/77/606392577.db2.gz UPSNIEXWBKJQHT-GQCTYLIASA-N -1 3 359.414 3.886 20 30 FHEDHM N#Cc1cccnc1Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822842417 606431037 /nfs/dbraw/zinc/43/10/37/606431037.db2.gz HMHUOBGLDFEFHH-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM C=C[C@@H](C)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000819729785 606813769 /nfs/dbraw/zinc/81/37/69/606813769.db2.gz MTAPAQONGUIGMT-LLVKDONJSA-N -1 3 369.812 3.617 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)cc(Cl)c1 ZINC000819745430 606871062 /nfs/dbraw/zinc/87/10/62/606871062.db2.gz CHZUAWBOZLNBLC-UHFFFAOYSA-N -1 3 367.840 3.657 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)cc(Cl)c1 ZINC000819745430 606871064 /nfs/dbraw/zinc/87/10/64/606871064.db2.gz CHZUAWBOZLNBLC-UHFFFAOYSA-N -1 3 367.840 3.657 20 30 FHEDHM N#Cc1ccc(F)c(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000822830160 606941158 /nfs/dbraw/zinc/94/11/58/606941158.db2.gz VZVQGLXGSFZWAH-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM N#Cc1ccc(F)c(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000822830160 606941160 /nfs/dbraw/zinc/94/11/60/606941160.db2.gz VZVQGLXGSFZWAH-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM O=c1[nH]c2ccccc2cc1C=Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823732967 607121646 /nfs/dbraw/zinc/12/16/46/607121646.db2.gz QTGWMBXIDPCEQH-UHFFFAOYSA-N -1 3 350.769 3.525 20 30 FHEDHM O=c1[nH]c2ccccc2cc1C=Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823732967 607121647 /nfs/dbraw/zinc/12/16/47/607121647.db2.gz QTGWMBXIDPCEQH-UHFFFAOYSA-N -1 3 350.769 3.525 20 30 FHEDHM CC(C=NNCc1ccc(-c2nnn[n-]2)cc1)=Cc1ccc(Cl)cc1 ZINC000824385544 607807643 /nfs/dbraw/zinc/80/76/43/607807643.db2.gz WJSSGOLOPILTHW-MQFSGWNHSA-N -1 3 352.829 3.699 20 30 FHEDHM CC(C=NNCc1ccc(-c2nn[n-]n2)cc1)=Cc1ccc(Cl)cc1 ZINC000824385544 607807644 /nfs/dbraw/zinc/80/76/44/607807644.db2.gz WJSSGOLOPILTHW-MQFSGWNHSA-N -1 3 352.829 3.699 20 30 FHEDHM N#CCOc1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826382095 607845856 /nfs/dbraw/zinc/84/58/56/607845856.db2.gz ODRFSSSZASGYEZ-UHFFFAOYSA-N -1 3 357.826 3.715 20 30 FHEDHM N#CCOc1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826382095 607845857 /nfs/dbraw/zinc/84/58/57/607845857.db2.gz ODRFSSSZASGYEZ-UHFFFAOYSA-N -1 3 357.826 3.715 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(Br)c1 ZINC000826402242 607883002 /nfs/dbraw/zinc/88/30/02/607883002.db2.gz POJZUOWIPIYGNJ-CMDGGOBGSA-N -1 3 355.195 3.525 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(Br)c1 ZINC000826402242 607883003 /nfs/dbraw/zinc/88/30/03/607883003.db2.gz POJZUOWIPIYGNJ-CMDGGOBGSA-N -1 3 355.195 3.525 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(-c2ccncc2)c1 ZINC000826401866 607884712 /nfs/dbraw/zinc/88/47/12/607884712.db2.gz INVZATFIXCZMES-CMDGGOBGSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(-c2ccncc2)c1 ZINC000826401866 607884713 /nfs/dbraw/zinc/88/47/13/607884713.db2.gz INVZATFIXCZMES-CMDGGOBGSA-N -1 3 353.385 3.825 20 30 FHEDHM C(=NN=C1c2ccccc2-c2ccccc21)c1ccccc1-c1nnn[n-]1 ZINC000823861532 607885124 /nfs/dbraw/zinc/88/51/24/607885124.db2.gz LXRBSKJHLRAAMZ-UHFFFAOYSA-N -1 3 350.385 3.719 20 30 FHEDHM C(=NN=C1c2ccccc2-c2ccccc21)c1ccccc1-c1nn[n-]n1 ZINC000823861532 607885125 /nfs/dbraw/zinc/88/51/25/607885125.db2.gz LXRBSKJHLRAAMZ-UHFFFAOYSA-N -1 3 350.385 3.719 20 30 FHEDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1cccc(C#N)c1 ZINC000824648651 608050528 /nfs/dbraw/zinc/05/05/28/608050528.db2.gz IAORETHYDBRUOH-SNVBAGLBSA-N -1 3 369.226 3.674 20 30 FHEDHM COc1ccc(C=C2C(=O)c3cccc4c3[C@@H]2CCC4)cc1-c1nnn[n-]1 ZINC000826190855 608109335 /nfs/dbraw/zinc/10/93/35/608109335.db2.gz PJHLASDSTVDXPL-DWKHYPNZSA-N -1 3 358.401 3.575 20 30 FHEDHM COc1ccc(C=C2C(=O)c3cccc4c3[C@@H]2CCC4)cc1-c1nn[n-]n1 ZINC000826190855 608109336 /nfs/dbraw/zinc/10/93/36/608109336.db2.gz PJHLASDSTVDXPL-DWKHYPNZSA-N -1 3 358.401 3.575 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000826395844 608288729 /nfs/dbraw/zinc/28/87/29/608288729.db2.gz VDZJQOXWFTYCDJ-IWQZZHSRSA-N -1 3 366.233 3.713 20 30 FHEDHM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1ccc(C(C)C)cc1 ZINC000826173003 608323951 /nfs/dbraw/zinc/32/39/51/608323951.db2.gz IGZZLSNHEDYZOQ-UHFFFAOYSA-N -1 3 351.410 3.549 20 30 FHEDHM COc1cc(-c2nn[n-]n2)ccc1CON=Cc1ccc(C(C)C)cc1 ZINC000826173003 608323953 /nfs/dbraw/zinc/32/39/53/608323953.db2.gz IGZZLSNHEDYZOQ-UHFFFAOYSA-N -1 3 351.410 3.549 20 30 FHEDHM N#Cc1cccc(OCCCSCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826387039 608405458 /nfs/dbraw/zinc/40/54/58/608405458.db2.gz CXWQAAJTWGXTET-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM N#Cc1cccc(OCCCSCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826387039 608405460 /nfs/dbraw/zinc/40/54/60/608405460.db2.gz CXWQAAJTWGXTET-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM C=CCN(Cc1ccc(Cl)s1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000823909774 608501342 /nfs/dbraw/zinc/50/13/42/608501342.db2.gz QNYRPYLEKBNXGX-UHFFFAOYSA-N -1 3 351.888 3.831 20 30 FHEDHM C=CCN(Cc1ccc(Cl)s1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000823909774 608501343 /nfs/dbraw/zinc/50/13/43/608501343.db2.gz QNYRPYLEKBNXGX-UHFFFAOYSA-N -1 3 351.888 3.831 20 30 FHEDHM CC(C)C(Cc1ccc(F)cc1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824191465 608538730 /nfs/dbraw/zinc/53/87/30/608538730.db2.gz FKXLXXOBTZKXJR-UHFFFAOYSA-N -1 3 373.823 3.721 20 30 FHEDHM CC(C)C(Cc1ccc(F)cc1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824191465 608538732 /nfs/dbraw/zinc/53/87/32/608538732.db2.gz FKXLXXOBTZKXJR-UHFFFAOYSA-N -1 3 373.823 3.721 20 30 FHEDHM O=C(C=Cc1ncc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826402786 608875191 /nfs/dbraw/zinc/87/51/91/608875191.db2.gz BRESRDADJTZHTM-ZHACJKMWSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1ncc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826402786 608875192 /nfs/dbraw/zinc/87/51/92/608875192.db2.gz BRESRDADJTZHTM-ZHACJKMWSA-N -1 3 359.414 3.886 20 30 FHEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826295525 609272567 /nfs/dbraw/zinc/27/25/67/609272567.db2.gz LETQQHLSJGTAOY-SOFGYWHQSA-N -1 3 374.379 3.600 20 30 FHEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826295525 609272569 /nfs/dbraw/zinc/27/25/69/609272569.db2.gz LETQQHLSJGTAOY-SOFGYWHQSA-N -1 3 374.379 3.600 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(C)CCCCCC1 ZINC000823909710 609280035 /nfs/dbraw/zinc/28/00/35/609280035.db2.gz OFEWOZKISFIOEI-UHFFFAOYSA-N -1 3 353.470 3.742 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(C)CCCCCC1 ZINC000823909710 609280036 /nfs/dbraw/zinc/28/00/36/609280036.db2.gz OFEWOZKISFIOEI-UHFFFAOYSA-N -1 3 353.470 3.742 20 30 FHEDHM Clc1ccc(C2CC(=NNCc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000826351436 609470447 /nfs/dbraw/zinc/47/04/47/609470447.db2.gz MOSAJCOSEVULEV-UHFFFAOYSA-N -1 3 352.829 3.543 20 30 FHEDHM Clc1ccc(C2CC(=NNCc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000826351436 609470449 /nfs/dbraw/zinc/47/04/49/609470449.db2.gz MOSAJCOSEVULEV-UHFFFAOYSA-N -1 3 352.829 3.543 20 30 FHEDHM CC(C)c1ccccc1NC(=O)C(C#N)Cn1[n-]c(C(F)(F)F)cc1=O ZINC000122002089 936316237 /nfs/dbraw/zinc/31/62/37/936316237.db2.gz GUQGNXQMAAPILD-NSHDSACASA-N -1 3 366.343 3.509 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 ZINC000286335880 927822061 /nfs/dbraw/zinc/82/20/61/927822061.db2.gz LSZUCJWEMABPBW-VLIAUNLRSA-N -1 3 363.461 3.818 20 30 FHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1csc(-c2ccccc2F)n1 ZINC000120256769 927910668 /nfs/dbraw/zinc/91/06/68/927910668.db2.gz APCAGOOVTCOZAK-CQSZACIVSA-N -1 3 365.389 3.910 20 30 FHEDHM Cc1nc(-c2ccc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cc2)n[nH]1 ZINC000134154440 930316937 /nfs/dbraw/zinc/31/69/37/930316937.db2.gz OBENTWMADOWREG-CQSZACIVSA-N -1 3 371.322 3.684 20 30 FHEDHM COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2)cc(Br)c1[O-] ZINC000058465404 931123787 /nfs/dbraw/zinc/12/37/87/931123787.db2.gz IUVARWBVBBCGFU-SNAWJCMRSA-N -1 3 365.227 3.837 20 30 FHEDHM O=C1CSc2ccc(N=Cc3cc(Br)ccc3[O-])cc2N1 ZINC000255387483 932991162 /nfs/dbraw/zinc/99/11/62/932991162.db2.gz LHZZIOMWEOIBJO-UHFFFAOYSA-N -1 3 363.236 3.950 20 30 FHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c(C)c1 ZINC000610928253 934626145 /nfs/dbraw/zinc/62/61/45/934626145.db2.gz DJWXOLNYMKNGKK-UHFFFAOYSA-N -1 3 374.462 3.772 20 30 FHEDHM CCn1ccnc1C(C#N)=C([O-])c1c(C)c(C)sc1Br ZINC001349701335 934840985 /nfs/dbraw/zinc/84/09/85/934840985.db2.gz DCQWSTRHHHSHLD-SNVBAGLBSA-N -1 3 352.257 3.834 20 30 FHEDHM N#Cc1ccc(Nc2cccc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c2)cc1 ZINC000473853564 945075998 /nfs/dbraw/zinc/07/59/98/945075998.db2.gz WJYRNXYRTPDRAI-IBGZPJMESA-N -1 3 373.416 3.551 20 30 FHEDHM N#CCCCOc1cccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)c1 ZINC000583618250 938325052 /nfs/dbraw/zinc/32/50/52/938325052.db2.gz ALOYYBVUDGQNNP-NRFANRHFSA-N -1 3 368.408 3.524 20 30 FHEDHM COc1ccccc1[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])N1CCCC1 ZINC000255577079 938361082 /nfs/dbraw/zinc/36/10/82/938361082.db2.gz JIZOYBXLCANZMU-LZAZYHHXSA-N -1 3 369.421 3.565 20 30 FHEDHM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2[nH]1 ZINC000427243852 945218130 /nfs/dbraw/zinc/21/81/30/945218130.db2.gz VBROCGPVZUDQGV-UHFFFAOYSA-N -1 3 372.425 3.717 20 30 FHEDHM O=C(c1cccc(N=Cc2cc(Cl)ccc2[O-])c1)N1CCSCC1 ZINC000255660719 939062400 /nfs/dbraw/zinc/06/24/00/939062400.db2.gz YLZREHDVENFPSX-UHFFFAOYSA-N -1 3 360.866 3.985 20 30 FHEDHM N#CC(=C([O-])c1ccc(O[C@H]2CCOC2)cc1)c1nc(C2CC2)cs1 ZINC000647379434 939084733 /nfs/dbraw/zinc/08/47/33/939084733.db2.gz JWBHLGBRCGHFKM-JKSUJKDBSA-N -1 3 354.431 3.678 20 30 FHEDHM CCOC(=O)c1sc([N-]C(=O)c2oc(C3CC3)nc2C)c(C#N)c1C ZINC000612653873 940204647 /nfs/dbraw/zinc/20/46/47/940204647.db2.gz NUZXGYZLYMDKEQ-UHFFFAOYSA-N -1 3 359.407 3.531 20 30 FHEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000066396576 940478034 /nfs/dbraw/zinc/47/80/34/940478034.db2.gz MEKVTLUAQYMWPA-LJQANCHMSA-N -1 3 359.429 3.820 20 30 FHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)ccc1Cl ZINC000180288876 940926022 /nfs/dbraw/zinc/92/60/22/940926022.db2.gz ZWPVPTPGMOSUPN-UHFFFAOYSA-N -1 3 362.625 3.714 20 30 FHEDHM CSc1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c([O-])c1 ZINC000365523302 941094523 /nfs/dbraw/zinc/09/45/23/941094523.db2.gz QNMHWIXHALLPHZ-UHFFFAOYSA-N -1 3 368.458 3.669 20 30 FHEDHM N#C[C@@H]1N(C(=O)c2cc([O-])c3ccccc3c2)CCC[C@]12CCCCO2 ZINC000376783915 941429205 /nfs/dbraw/zinc/42/92/05/941429205.db2.gz BFEYTTPABFJDLF-PZJWPPBQSA-N -1 3 350.418 3.613 20 30 FHEDHM N#C[C@@H]1N(C(=O)c2cc([O-])c3ccccc3c2)CCC[C@@]12CCCCO2 ZINC000376783914 941429304 /nfs/dbraw/zinc/42/93/04/941429304.db2.gz BFEYTTPABFJDLF-FPOVZHCZSA-N -1 3 350.418 3.613 20 30 FHEDHM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000122369011 941703710 /nfs/dbraw/zinc/70/37/10/941703710.db2.gz KTSYXTQWTDYMPD-JXMROGBWSA-N -1 3 366.801 3.794 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(C)(C)C)cc1O ZINC000501946484 942126979 /nfs/dbraw/zinc/12/69/79/942126979.db2.gz LXTNQGOUAZFZJT-UHFFFAOYSA-N -1 3 367.449 3.850 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000183456401 942273528 /nfs/dbraw/zinc/27/35/28/942273528.db2.gz BHIQLXMRCLJEBJ-WDEREUQCSA-N -1 3 366.792 3.611 20 30 FHEDHM CC(C)[C@@H]1C[C@@](NCc2ccc(C#N)c(F)c2)(C(=O)[O-])c2ccccc21 ZINC000421817216 942844181 /nfs/dbraw/zinc/84/41/81/942844181.db2.gz SJDGWOUPDMKQFC-UWJYYQICSA-N -1 3 352.409 3.910 20 30 FHEDHM C=CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000664333897 943356465 /nfs/dbraw/zinc/35/64/65/943356465.db2.gz SRYPOBXTFIBQJH-OAHLLOKOSA-N -1 3 352.438 3.978 20 30 FHEDHM C=CCOc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1OC ZINC000417615764 943765341 /nfs/dbraw/zinc/76/53/41/943765341.db2.gz GXGQUGZJTLRHEC-ROUUACIJSA-N -1 3 353.418 3.663 20 30 FHEDHM C=CCc1cc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc(OC)c1O ZINC000417628186 943766371 /nfs/dbraw/zinc/76/63/71/943766371.db2.gz OZHKEGVVAKPIDQ-QZTJIDSGSA-N -1 3 353.418 3.532 20 30 FHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000436142135 944051975 /nfs/dbraw/zinc/05/19/75/944051975.db2.gz PQHQLPRKHJNKSO-UHFFFAOYSA-N -1 3 356.432 3.856 20 30 FHEDHM N#CCCCOc1cccnc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436566737 944431115 /nfs/dbraw/zinc/43/11/15/944431115.db2.gz MGZBRZOVTSUHAP-UHFFFAOYSA-N -1 3 351.406 3.601 20 30 FHEDHM COc1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c([O-])c1 ZINC000436601528 944453839 /nfs/dbraw/zinc/45/38/39/944453839.db2.gz IQLOTTGSYLLLKE-CYBMUJFWSA-N -1 3 351.189 3.702 20 30 FHEDHM COCc1nocc1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](C(C)C)C2 ZINC000425614830 944557464 /nfs/dbraw/zinc/55/74/64/944557464.db2.gz YEDAATXYEWMBLG-NSHDSACASA-N -1 3 359.451 3.767 20 30 FHEDHM COCC1(C#N)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436741445 944571336 /nfs/dbraw/zinc/57/13/36/944571336.db2.gz VTKGYTJTDGPDJE-UHFFFAOYSA-N -1 3 366.417 3.577 20 30 FHEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000506820727 945401473 /nfs/dbraw/zinc/40/14/73/945401473.db2.gz NUVCRYHQRJAXMY-LLVKDONJSA-N -1 3 354.781 3.575 20 30 FHEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125325950 945719724 /nfs/dbraw/zinc/71/97/24/945719724.db2.gz RURABZITGDKCJK-SNVBAGLBSA-N -1 3 350.296 3.689 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](CC(C)C)c1ccccn1 ZINC000125393160 945864728 /nfs/dbraw/zinc/86/47/28/945864728.db2.gz LUTDODZODZOTRV-IBGZPJMESA-N -1 3 367.449 3.522 20 30 FHEDHM Clc1c(C=NNCc2ccc(-c3nnn[n-]3)cc2)sc2ccccc12 ZINC000822563173 946128550 /nfs/dbraw/zinc/12/85/50/946128550.db2.gz FZQXURREHIRHCK-UHFFFAOYSA-N -1 3 368.853 3.859 20 30 FHEDHM Clc1c(C=NNCc2ccc(-c3nn[n-]n3)cc2)sc2ccccc12 ZINC000822563173 946128553 /nfs/dbraw/zinc/12/85/53/946128553.db2.gz FZQXURREHIRHCK-UHFFFAOYSA-N -1 3 368.853 3.859 20 30 FHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CSc2c(Cl)cccc21 ZINC000823504225 946439731 /nfs/dbraw/zinc/43/97/31/946439731.db2.gz NGGNTHYATOHJFD-YWEYNIOJSA-N -1 3 360.851 3.954 20 30 FHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CSc2c(Cl)cccc21 ZINC000823504225 946439737 /nfs/dbraw/zinc/43/97/37/946439737.db2.gz NGGNTHYATOHJFD-YWEYNIOJSA-N -1 3 360.851 3.954 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823498520 946440012 /nfs/dbraw/zinc/44/00/12/946440012.db2.gz SORJAEKATBDJIH-TWGQIWQCSA-N -1 3 358.810 3.630 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823498520 946440018 /nfs/dbraw/zinc/44/00/18/946440018.db2.gz SORJAEKATBDJIH-TWGQIWQCSA-N -1 3 358.810 3.630 20 30 FHEDHM C=CCCC[C@@H](C)NC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823893882 946501511 /nfs/dbraw/zinc/50/15/11/946501511.db2.gz AMSJUHSWJQZTMY-OAHLLOKOSA-N -1 3 356.474 3.533 20 30 FHEDHM C=CCCC[C@@H](C)NC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823893882 946501520 /nfs/dbraw/zinc/50/15/20/946501520.db2.gz AMSJUHSWJQZTMY-OAHLLOKOSA-N -1 3 356.474 3.533 20 30 FHEDHM Cc1cc(C#N)ccc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000186189642 946590102 /nfs/dbraw/zinc/59/01/02/946590102.db2.gz HOMIQGDBEIVQRG-UHFFFAOYSA-N -1 3 373.441 3.581 20 30 FHEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000824141354 946598784 /nfs/dbraw/zinc/59/87/84/946598784.db2.gz GDVKLFMPYADXJC-ALCCZGGFSA-N -1 3 357.414 3.656 20 30 FHEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000824141354 946598798 /nfs/dbraw/zinc/59/87/98/946598798.db2.gz GDVKLFMPYADXJC-ALCCZGGFSA-N -1 3 357.414 3.656 20 30 FHEDHM C[C@H](Nc1ccc(Br)cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824657560 946885694 /nfs/dbraw/zinc/88/56/94/946885694.db2.gz RFPPWUYCNCEXSD-JTQLQIEISA-N -1 3 369.226 3.674 20 30 FHEDHM C[C@H](Nc1ccc(Br)cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824657560 946885705 /nfs/dbraw/zinc/88/57/05/946885705.db2.gz RFPPWUYCNCEXSD-JTQLQIEISA-N -1 3 369.226 3.674 20 30 FHEDHM C=CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001573335783 947490495 /nfs/dbraw/zinc/49/04/95/947490495.db2.gz URZZJBBJDNPUFO-ZWKOTPCHSA-N -1 3 353.470 3.613 20 30 FHEDHM C=CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001573335783 947490503 /nfs/dbraw/zinc/49/05/03/947490503.db2.gz URZZJBBJDNPUFO-ZWKOTPCHSA-N -1 3 353.470 3.613 20 30 FHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnc([C@@H]4CCCO4)s3)nc21 ZINC000536347952 947590313 /nfs/dbraw/zinc/59/03/13/947590313.db2.gz GQFVBFSUMJILTB-AAEUAGOBSA-N -1 3 352.419 3.669 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)cc(F)c1F ZINC000441594090 948336380 /nfs/dbraw/zinc/33/63/80/948336380.db2.gz DSROYHARTBUFHH-UHFFFAOYSA-N -1 3 365.767 3.779 20 30 FHEDHM C=CCOc1ccc(Br)cc1NC(=O)c1cccc(O)c1[O-] ZINC001299168769 948675944 /nfs/dbraw/zinc/67/59/44/948675944.db2.gz FKHWUCUJJDWALZ-UHFFFAOYSA-N -1 3 364.195 3.677 20 30 FHEDHM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2[nH]1 ZINC000098068708 222225578 /nfs/dbraw/zinc/22/55/78/222225578.db2.gz HXBRCLRIVKDABU-UHFFFAOYSA-N -1 3 354.435 3.533 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000107538196 222395395 /nfs/dbraw/zinc/39/53/95/222395395.db2.gz UHNXRRUPKUBHNW-MNOVXSKESA-N -1 3 366.792 3.611 20 30 FHEDHM C[C@@H]1[C@H](C(=O)[N-][C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)C1(F)F ZINC000461105286 567966977 /nfs/dbraw/zinc/96/69/77/567966977.db2.gz AFQUQGIXSCXCHL-BDODKLCJSA-N -1 3 359.241 3.909 20 30 FHEDHM N#CC1(C(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)CC2(CC2)C1 ZINC000602904356 568015994 /nfs/dbraw/zinc/01/59/94/568015994.db2.gz WQSZBQTYVAUOHE-UHFFFAOYSA-N -1 3 359.332 3.965 20 30 FHEDHM Clc1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)cc1)CCCO2 ZINC000737572997 598861713 /nfs/dbraw/zinc/86/17/13/598861713.db2.gz HYHKRPQRIXUJFB-UHFFFAOYSA-N -1 3 354.801 3.509 20 30 FHEDHM CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736320261 598918116 /nfs/dbraw/zinc/91/81/16/598918116.db2.gz SADCFVBPIIIEQG-FZKQIMNGSA-N -1 3 360.421 3.507 20 30 FHEDHM CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736320261 598918118 /nfs/dbraw/zinc/91/81/18/598918118.db2.gz SADCFVBPIIIEQG-FZKQIMNGSA-N -1 3 360.421 3.507 20 30 FHEDHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCCC(C)(C)C#N)n1 ZINC000737243597 599067758 /nfs/dbraw/zinc/06/77/58/599067758.db2.gz APTPDFKBDAQQJY-UHFFFAOYSA-N -1 3 356.377 3.621 20 30 FHEDHM Cc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(OC(F)F)cc1C ZINC000822199085 599111450 /nfs/dbraw/zinc/11/14/50/599111450.db2.gz VZWZVZYNGMBIIC-VOTSOKGWSA-N -1 3 370.359 3.981 20 30 FHEDHM Cc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(OC(F)F)cc1C ZINC000822199085 599111453 /nfs/dbraw/zinc/11/14/53/599111453.db2.gz VZWZVZYNGMBIIC-VOTSOKGWSA-N -1 3 370.359 3.981 20 30 FHEDHM C=CCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000819758585 599112839 /nfs/dbraw/zinc/11/28/39/599112839.db2.gz AFSXTJUVRWJUGB-FOWTUZBSSA-N -1 3 358.401 3.644 20 30 FHEDHM C=CCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000819758585 599112842 /nfs/dbraw/zinc/11/28/42/599112842.db2.gz AFSXTJUVRWJUGB-FOWTUZBSSA-N -1 3 358.401 3.644 20 30 FHEDHM COc1c(C)cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1C ZINC000821698667 599113299 /nfs/dbraw/zinc/11/32/99/599113299.db2.gz TYTZWEBTMMZJLN-YBEGLDIGSA-N -1 3 360.417 3.705 20 30 FHEDHM COc1c(C)cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1C ZINC000821698667 599113302 /nfs/dbraw/zinc/11/33/02/599113302.db2.gz TYTZWEBTMMZJLN-YBEGLDIGSA-N -1 3 360.417 3.705 20 30 FHEDHM O=C1C(=Cc2ccccc2OCC2CC2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505197 599115323 /nfs/dbraw/zinc/11/53/23/599115323.db2.gz YWBOKYMSKVMERC-SFQUDFHCSA-N -1 3 372.428 3.868 20 30 FHEDHM O=C1C(=Cc2ccccc2OCC2CC2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505197 599115326 /nfs/dbraw/zinc/11/53/26/599115326.db2.gz YWBOKYMSKVMERC-SFQUDFHCSA-N -1 3 372.428 3.868 20 30 FHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc(OC(F)F)c1 ZINC000823505215 599117917 /nfs/dbraw/zinc/11/79/17/599117917.db2.gz ZERFXMZTSCNFCW-MDWZMJQESA-N -1 3 368.343 3.681 20 30 FHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc(OC(F)F)c1 ZINC000823505215 599117920 /nfs/dbraw/zinc/11/79/20/599117920.db2.gz ZERFXMZTSCNFCW-MDWZMJQESA-N -1 3 368.343 3.681 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(F)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000737080612 599155494 /nfs/dbraw/zinc/15/54/94/599155494.db2.gz DPPXLBOBNUXHDZ-QHHAFSJGSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000737080612 599155497 /nfs/dbraw/zinc/15/54/97/599155497.db2.gz DPPXLBOBNUXHDZ-QHHAFSJGSA-N -1 3 358.760 3.564 20 30 FHEDHM CCCn1cccc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736501548 598313925 /nfs/dbraw/zinc/31/39/25/598313925.db2.gz DYJKFWCYLANGAF-UHFFFAOYSA-N -1 3 363.347 3.543 20 30 FHEDHM CCCn1cccc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736501548 598313927 /nfs/dbraw/zinc/31/39/27/598313927.db2.gz DYJKFWCYLANGAF-UHFFFAOYSA-N -1 3 363.347 3.543 20 30 FHEDHM Fc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1F ZINC000737649612 598316078 /nfs/dbraw/zinc/31/60/78/598316078.db2.gz NKCBPEILCNGTLJ-UHFFFAOYSA-N -1 3 368.269 3.610 20 30 FHEDHM Fc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1F ZINC000737649612 598316080 /nfs/dbraw/zinc/31/60/80/598316080.db2.gz NKCBPEILCNGTLJ-UHFFFAOYSA-N -1 3 368.269 3.610 20 30 FHEDHM O=C(C=Cc1cnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737808495 598440040 /nfs/dbraw/zinc/44/00/40/598440040.db2.gz UNIKOPKYZWLNKC-KHPPLWFESA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1cnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737808495 598440041 /nfs/dbraw/zinc/44/00/41/598440041.db2.gz UNIKOPKYZWLNKC-KHPPLWFESA-N -1 3 359.414 3.886 20 30 FHEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cccc(OC(F)(F)F)c1 ZINC000735451233 598492090 /nfs/dbraw/zinc/49/20/90/598492090.db2.gz VIBVBPKOOWJMFX-UHFFFAOYSA-N -1 3 362.315 3.601 20 30 FHEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cccc(OC(F)(F)F)c1 ZINC000735451233 598492091 /nfs/dbraw/zinc/49/20/91/598492091.db2.gz VIBVBPKOOWJMFX-UHFFFAOYSA-N -1 3 362.315 3.601 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735506296 598503401 /nfs/dbraw/zinc/50/34/01/598503401.db2.gz VBUVICWGLRMXGX-LBPRGKRZSA-N -1 3 368.441 3.870 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735506296 598503402 /nfs/dbraw/zinc/50/34/02/598503402.db2.gz VBUVICWGLRMXGX-LBPRGKRZSA-N -1 3 368.441 3.870 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC000735973323 598557771 /nfs/dbraw/zinc/55/77/71/598557771.db2.gz FZSNIQSXFFSAJJ-CYBMUJFWSA-N -1 3 350.451 3.873 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC000735973323 598557772 /nfs/dbraw/zinc/55/77/72/598557772.db2.gz FZSNIQSXFFSAJJ-CYBMUJFWSA-N -1 3 350.451 3.873 20 30 FHEDHM Cc1c(C(=O)C=Cc2c(C)cc(C)cc2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737246987 598639390 /nfs/dbraw/zinc/63/93/90/598639390.db2.gz RBXAYMSODQMUTE-BQYQJAHWSA-N -1 3 361.449 3.744 20 30 FHEDHM Cc1c(C(=O)C=Cc2c(C)cc(C)cc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737246987 598639391 /nfs/dbraw/zinc/63/93/91/598639391.db2.gz RBXAYMSODQMUTE-BQYQJAHWSA-N -1 3 361.449 3.744 20 30 FHEDHM CC(=NNc1ccc(Br)cc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000735450886 598640908 /nfs/dbraw/zinc/64/09/08/598640908.db2.gz IMHQCEXHWOABDD-UHFFFAOYSA-N -1 3 371.242 3.774 20 30 FHEDHM CC(=NNc1ccc(Br)cc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000735450886 598640910 /nfs/dbraw/zinc/64/09/10/598640910.db2.gz IMHQCEXHWOABDD-UHFFFAOYSA-N -1 3 371.242 3.774 20 30 FHEDHM C=CCn1c2ccccc2nc1SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735446881 598642570 /nfs/dbraw/zinc/64/25/70/598642570.db2.gz AHQDYCFMJONCCG-UHFFFAOYSA-N -1 3 366.425 3.834 20 30 FHEDHM C=CCn1c2ccccc2nc1SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735446881 598642572 /nfs/dbraw/zinc/64/25/72/598642572.db2.gz AHQDYCFMJONCCG-UHFFFAOYSA-N -1 3 366.425 3.834 20 30 FHEDHM CCOc1ccc(Cl)cc1C(C)=NNc1cccc(-c2nnn[n-]2)c1 ZINC000736644399 599368371 /nfs/dbraw/zinc/36/83/71/599368371.db2.gz KWAGROGNNOZABK-UHFFFAOYSA-N -1 3 356.817 3.755 20 30 FHEDHM CCOc1ccc(Cl)cc1C(C)=NNc1cccc(-c2nn[n-]n2)c1 ZINC000736644399 599368373 /nfs/dbraw/zinc/36/83/73/599368373.db2.gz KWAGROGNNOZABK-UHFFFAOYSA-N -1 3 356.817 3.755 20 30 FHEDHM CCC[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821007543 599620382 /nfs/dbraw/zinc/62/03/82/599620382.db2.gz AIQNYVRMZSEYPK-BXUZGUMPSA-N -1 3 366.450 3.603 20 30 FHEDHM CCC[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821007543 599620383 /nfs/dbraw/zinc/62/03/83/599620383.db2.gz AIQNYVRMZSEYPK-BXUZGUMPSA-N -1 3 366.450 3.603 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000819772598 599663653 /nfs/dbraw/zinc/66/36/53/599663653.db2.gz HHOFHKXXUBOEEQ-UHFFFAOYSA-N -1 3 355.405 3.765 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCC(C)(C)CC1 ZINC000819743713 599675340 /nfs/dbraw/zinc/67/53/40/599675340.db2.gz OXEKNHNSFQQMOX-UHFFFAOYSA-N -1 3 368.485 3.533 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCC(C)(C)CC1 ZINC000819743713 599675341 /nfs/dbraw/zinc/67/53/41/599675341.db2.gz OXEKNHNSFQQMOX-UHFFFAOYSA-N -1 3 368.485 3.533 20 30 FHEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000736663201 600590218 /nfs/dbraw/zinc/59/02/18/600590218.db2.gz WROARPXTDRBWBI-MEDUHNTESA-N -1 3 359.223 3.797 20 30 FHEDHM N#Cc1ccc([C@@H](N[C@H]2CCc3c2cccc3Br)C(=O)[O-])cc1 ZINC000739106309 600597958 /nfs/dbraw/zinc/59/79/58/600597958.db2.gz LFDLELJLIUZUTI-DLBZAZTESA-N -1 3 371.234 3.724 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1OC(F)F ZINC000822923792 607457292 /nfs/dbraw/zinc/45/72/92/607457292.db2.gz UPGQGSDLYBAQNB-FPLPWBNLSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OC(F)F ZINC000822923792 607457293 /nfs/dbraw/zinc/45/72/93/607457293.db2.gz UPGQGSDLYBAQNB-FPLPWBNLSA-N -1 3 360.295 3.503 20 30 FHEDHM COc1cc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(C)C ZINC000831955197 601301008 /nfs/dbraw/zinc/30/10/08/601301008.db2.gz FWFKIRHDSAZDIR-VBKZILBWSA-N -1 3 368.433 3.831 20 30 FHEDHM Cc1ccc(C(=O)C2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832912243 601311752 /nfs/dbraw/zinc/31/17/52/601311752.db2.gz WIYVVKOYMHBPLQ-FQEVSTJZSA-N -1 3 362.429 3.587 20 30 FHEDHM N#CCC[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000826381601 607678906 /nfs/dbraw/zinc/67/89/06/607678906.db2.gz RKJPZJUVFMUXAY-KRWDZBQOSA-N -1 3 355.405 3.872 20 30 FHEDHM N#CCC[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000826381601 607678908 /nfs/dbraw/zinc/67/89/08/607678908.db2.gz RKJPZJUVFMUXAY-KRWDZBQOSA-N -1 3 355.405 3.872 20 30 FHEDHM Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833756957 604619046 /nfs/dbraw/zinc/61/90/46/604619046.db2.gz SBWSFCNYNUTTBQ-QGZVFWFLSA-N -1 3 374.444 3.579 20 30 FHEDHM C(=NN(Cc1ccccc1)Cc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000819719021 606203014 /nfs/dbraw/zinc/20/30/14/606203014.db2.gz XHNHCJAZHKULOT-UHFFFAOYSA-N -1 3 374.473 3.965 20 30 FHEDHM C(=NN(Cc1ccccc1)Cc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000819719021 606203016 /nfs/dbraw/zinc/20/30/16/606203016.db2.gz XHNHCJAZHKULOT-UHFFFAOYSA-N -1 3 374.473 3.965 20 30 FHEDHM Clc1ccc2c(c1)nccc2NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822581194 606204678 /nfs/dbraw/zinc/20/46/78/606204678.db2.gz DGVPKPCSNDJOEK-UHFFFAOYSA-N -1 3 355.814 3.576 20 30 FHEDHM Clc1ccc2c(c1)nccc2NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822581194 606204679 /nfs/dbraw/zinc/20/46/79/606204679.db2.gz DGVPKPCSNDJOEK-UHFFFAOYSA-N -1 3 355.814 3.576 20 30 FHEDHM C=CCCCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819734192 606256544 /nfs/dbraw/zinc/25/65/44/606256544.db2.gz JVDNPNOZJHJRBG-UHFFFAOYSA-N -1 3 363.421 3.741 20 30 FHEDHM C=CCCCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819734192 606256545 /nfs/dbraw/zinc/25/65/45/606256545.db2.gz JVDNPNOZJHJRBG-UHFFFAOYSA-N -1 3 363.421 3.741 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(Br)c1 ZINC000822923212 606302691 /nfs/dbraw/zinc/30/26/91/606302691.db2.gz OGGDUMGYUSXJBY-PLNGDYQASA-N -1 3 361.224 3.587 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(Br)c1 ZINC000822923212 606302693 /nfs/dbraw/zinc/30/26/93/606302693.db2.gz OGGDUMGYUSXJBY-PLNGDYQASA-N -1 3 361.224 3.587 20 30 FHEDHM Clc1cc(Cl)c(N=NCc2ccc(-c3nnn[n-]3)s2)nc1Cl ZINC000822567439 606368934 /nfs/dbraw/zinc/36/89/34/606368934.db2.gz BIIWOCPPNXBKFI-UHFFFAOYSA-N -1 3 374.644 3.729 20 30 FHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822929741 606835111 /nfs/dbraw/zinc/83/51/11/606835111.db2.gz XNSCLDFYOCZEPT-KRXBUXKQSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822929741 606835112 /nfs/dbraw/zinc/83/51/12/606835112.db2.gz XNSCLDFYOCZEPT-KRXBUXKQSA-N -1 3 373.185 3.664 20 30 FHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CCO2 ZINC000822195542 606836427 /nfs/dbraw/zinc/83/64/27/606836427.db2.gz VINQMPRMIWZRRB-GHXNOFRVSA-N -1 3 352.419 3.594 20 30 FHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CCO2 ZINC000822195542 606836429 /nfs/dbraw/zinc/83/64/29/606836429.db2.gz VINQMPRMIWZRRB-GHXNOFRVSA-N -1 3 352.419 3.594 20 30 FHEDHM N#Cc1cc(F)ccc1CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822823204 606841933 /nfs/dbraw/zinc/84/19/33/606841933.db2.gz MSSXVYNUKZIGBD-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM N#Cc1cc(F)ccc1CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822823204 606841934 /nfs/dbraw/zinc/84/19/34/606841934.db2.gz MSSXVYNUKZIGBD-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM CC(C)c1ncc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)s1 ZINC000820206634 606931744 /nfs/dbraw/zinc/93/17/44/606931744.db2.gz UATOSNSHVYDKNX-XYOKQWHBSA-N -1 3 351.435 3.659 20 30 FHEDHM CC(C)c1ncc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)s1 ZINC000820206634 606931745 /nfs/dbraw/zinc/93/17/45/606931745.db2.gz UATOSNSHVYDKNX-XYOKQWHBSA-N -1 3 351.435 3.659 20 30 FHEDHM C=CCC(CC=C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000819733699 606941029 /nfs/dbraw/zinc/94/10/29/606941029.db2.gz AJZKJGKPJJLOEZ-UHFFFAOYSA-N -1 3 353.470 3.620 20 30 FHEDHM C=CCC(CC=C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000819733699 606941031 /nfs/dbraw/zinc/94/10/31/606941031.db2.gz AJZKJGKPJJLOEZ-UHFFFAOYSA-N -1 3 353.470 3.620 20 30 FHEDHM Cc1nn(-c2ccccc2)c(CSc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000822486637 607015996 /nfs/dbraw/zinc/01/59/96/607015996.db2.gz QYRNNBGGQMWCHO-UHFFFAOYSA-N -1 3 373.445 3.525 20 30 FHEDHM Cc1nn(-c2ccccc2)c(CSc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000822486637 607016000 /nfs/dbraw/zinc/01/60/00/607016000.db2.gz QYRNNBGGQMWCHO-UHFFFAOYSA-N -1 3 373.445 3.525 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2Cl)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015909 607122316 /nfs/dbraw/zinc/12/23/16/607122316.db2.gz QSYVQXYZYSCTLJ-ALCCZGGFSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2Cl)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015909 607122317 /nfs/dbraw/zinc/12/23/17/607122317.db2.gz QSYVQXYZYSCTLJ-ALCCZGGFSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1cc(Cl)c2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CCO2 ZINC000822200938 607122532 /nfs/dbraw/zinc/12/25/32/607122532.db2.gz JLFRYRYCBATMND-UXBLZVDNSA-N -1 3 372.837 3.939 20 30 FHEDHM Cc1cc(Cl)c2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CCO2 ZINC000822200938 607122534 /nfs/dbraw/zinc/12/25/34/607122534.db2.gz JLFRYRYCBATMND-UXBLZVDNSA-N -1 3 372.837 3.939 20 30 FHEDHM Cc1cc(Cl)cc2c1OCCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000822202371 607172264 /nfs/dbraw/zinc/17/22/64/607172264.db2.gz XBMYDCWKXBCNRS-YHYXMXQVSA-N -1 3 372.837 3.939 20 30 FHEDHM Cc1cc(Cl)cc2c1OCCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000822202371 607172265 /nfs/dbraw/zinc/17/22/65/607172265.db2.gz XBMYDCWKXBCNRS-YHYXMXQVSA-N -1 3 372.837 3.939 20 30 FHEDHM Cc1c(C(=O)C=Cc2cc(Cl)ccc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234036 607807780 /nfs/dbraw/zinc/80/77/80/607807780.db2.gz FQBAJBPGMRBJDD-DAXSKMNVSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1c(C(=O)C=Cc2cc(Cl)ccc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234036 607807781 /nfs/dbraw/zinc/80/77/81/607807781.db2.gz FQBAJBPGMRBJDD-DAXSKMNVSA-N -1 3 371.803 3.611 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCSC(C)(C)C ZINC000823909373 607817275 /nfs/dbraw/zinc/81/72/75/607817275.db2.gz ASRHFNCEOJKFNK-UHFFFAOYSA-N -1 3 373.526 3.693 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCSC(C)(C)C ZINC000823909373 607817276 /nfs/dbraw/zinc/81/72/76/607817276.db2.gz ASRHFNCEOJKFNK-UHFFFAOYSA-N -1 3 373.526 3.693 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(OCC(F)(F)F)cc1 ZINC000826402347 607885000 /nfs/dbraw/zinc/88/50/00/607885000.db2.gz RHPWGAKUGSMWKE-YFHOEESVSA-N -1 3 374.322 3.704 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(OCC(F)(F)F)cc1 ZINC000826402347 607885001 /nfs/dbraw/zinc/88/50/01/607885001.db2.gz RHPWGAKUGSMWKE-YFHOEESVSA-N -1 3 374.322 3.704 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(OCC(F)(F)F)cc1 ZINC000826402346 607885205 /nfs/dbraw/zinc/88/52/05/607885205.db2.gz RHPWGAKUGSMWKE-JXMROGBWSA-N -1 3 374.322 3.704 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(OCC(F)(F)F)cc1 ZINC000826402346 607885206 /nfs/dbraw/zinc/88/52/06/607885206.db2.gz RHPWGAKUGSMWKE-JXMROGBWSA-N -1 3 374.322 3.704 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826323400 607915884 /nfs/dbraw/zinc/91/58/84/607915884.db2.gz CIZVUIMLIOKRSN-VURMDHGXSA-N -1 3 371.441 3.964 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826323400 607915885 /nfs/dbraw/zinc/91/58/85/607915885.db2.gz CIZVUIMLIOKRSN-VURMDHGXSA-N -1 3 371.441 3.964 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000826400962 607916051 /nfs/dbraw/zinc/91/60/51/607916051.db2.gz LZFNKDJKHVEZJS-ALCCZGGFSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000826400962 607916052 /nfs/dbraw/zinc/91/60/52/607916052.db2.gz LZFNKDJKHVEZJS-ALCCZGGFSA-N -1 3 373.185 3.664 20 30 FHEDHM Cc1oc2ccccc2c1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000826342756 607982141 /nfs/dbraw/zinc/98/21/41/607982141.db2.gz YMJQUFJEFORZIZ-KTKRTIGZSA-N -1 3 373.416 3.874 20 30 FHEDHM Cc1oc2ccccc2c1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000826342756 607982142 /nfs/dbraw/zinc/98/21/42/607982142.db2.gz YMJQUFJEFORZIZ-KTKRTIGZSA-N -1 3 373.416 3.874 20 30 FHEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826475892 608015769 /nfs/dbraw/zinc/01/57/69/608015769.db2.gz VINRMVMZECENEG-CLFYSBASSA-N -1 3 373.235 3.513 20 30 FHEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826475893 608015856 /nfs/dbraw/zinc/01/58/56/608015856.db2.gz VINRMVMZECENEG-VQHVLOKHSA-N -1 3 373.235 3.513 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000826395780 608288555 /nfs/dbraw/zinc/28/85/55/608288555.db2.gz SHYQBDSFPXHDDO-UPHRSURJSA-N -1 3 366.233 3.713 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000826395780 608288557 /nfs/dbraw/zinc/28/85/57/608288557.db2.gz SHYQBDSFPXHDDO-UPHRSURJSA-N -1 3 366.233 3.713 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475932 608387324 /nfs/dbraw/zinc/38/73/24/608387324.db2.gz WKHDPQDQLIKWED-XYOKQWHBSA-N -1 3 352.781 3.569 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475932 608387325 /nfs/dbraw/zinc/38/73/25/608387325.db2.gz WKHDPQDQLIKWED-XYOKQWHBSA-N -1 3 352.781 3.569 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826475292 608387757 /nfs/dbraw/zinc/38/77/57/608387757.db2.gz BEPJNMGCXQCQEA-VQHVLOKHSA-N -1 3 358.810 3.630 20 30 FHEDHM Cc1cccc2c1[C@@H](C)CC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826304894 608536107 /nfs/dbraw/zinc/53/61/07/608536107.db2.gz CEVYKXWVYMPCNQ-JTQLQIEISA-N -1 3 353.817 3.547 20 30 FHEDHM Cc1cccc2c1[C@@H](C)CC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826304894 608536109 /nfs/dbraw/zinc/53/61/09/608536109.db2.gz CEVYKXWVYMPCNQ-JTQLQIEISA-N -1 3 353.817 3.547 20 30 FHEDHM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826208783 608876072 /nfs/dbraw/zinc/87/60/72/608876072.db2.gz ZVYJYVWMDPMAIL-ZZXKWVIFSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826208783 608876075 /nfs/dbraw/zinc/87/60/75/608876075.db2.gz ZVYJYVWMDPMAIL-ZZXKWVIFSA-N -1 3 358.760 3.564 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc2ccccc2s1 ZINC000826400731 608878338 /nfs/dbraw/zinc/87/83/38/608878338.db2.gz GOVBOJOHYCMZIF-VURMDHGXSA-N -1 3 351.366 3.512 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc2ccccc2s1 ZINC000826400731 608878342 /nfs/dbraw/zinc/87/83/42/608878342.db2.gz GOVBOJOHYCMZIF-VURMDHGXSA-N -1 3 351.366 3.512 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc2ccccc2s1 ZINC000826400730 608878367 /nfs/dbraw/zinc/87/83/67/608878367.db2.gz GOVBOJOHYCMZIF-SOFGYWHQSA-N -1 3 351.366 3.512 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc2ccccc2s1 ZINC000826400730 608878371 /nfs/dbraw/zinc/87/83/71/608878371.db2.gz GOVBOJOHYCMZIF-SOFGYWHQSA-N -1 3 351.366 3.512 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826190556 609269854 /nfs/dbraw/zinc/26/98/54/609269854.db2.gz FRQCCIWJLFAFJA-QHHAFSJGSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826190556 609269855 /nfs/dbraw/zinc/26/98/55/609269855.db2.gz FRQCCIWJLFAFJA-QHHAFSJGSA-N -1 3 358.760 3.564 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400643 609271331 /nfs/dbraw/zinc/27/13/31/609271331.db2.gz DHZPREOZLNGDJA-YFHOEESVSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400643 609271333 /nfs/dbraw/zinc/27/13/33/609271333.db2.gz DHZPREOZLNGDJA-YFHOEESVSA-N -1 3 371.375 3.964 20 30 FHEDHM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc2O1 ZINC000824813472 609273765 /nfs/dbraw/zinc/27/37/65/609273765.db2.gz ZPTCPHZDDWVJLL-CLTKARDFSA-N -1 3 364.380 3.615 20 30 FHEDHM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)ccc2O1 ZINC000824813472 609273767 /nfs/dbraw/zinc/27/37/67/609273767.db2.gz ZPTCPHZDDWVJLL-CLTKARDFSA-N -1 3 364.380 3.615 20 30 FHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475399 609369623 /nfs/dbraw/zinc/36/96/23/609369623.db2.gz FHUWMSZLTDVDEE-XFXZXTDPSA-N -1 3 359.364 3.700 20 30 FHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475399 609369626 /nfs/dbraw/zinc/36/96/26/609369626.db2.gz FHUWMSZLTDVDEE-XFXZXTDPSA-N -1 3 359.364 3.700 20 30 FHEDHM C=C(C)CN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823874666 609377697 /nfs/dbraw/zinc/37/76/97/609377697.db2.gz XNZJYBGRCUEJAJ-UHFFFAOYSA-N -1 3 364.409 3.699 20 30 FHEDHM C=C(C)CN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823874666 609377700 /nfs/dbraw/zinc/37/77/00/609377700.db2.gz XNZJYBGRCUEJAJ-UHFFFAOYSA-N -1 3 364.409 3.699 20 30 FHEDHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000162271343 936370554 /nfs/dbraw/zinc/37/05/54/936370554.db2.gz CDQPJQMJGPJQIY-CYBMUJFWSA-N -1 3 354.406 3.504 20 30 FHEDHM C=C(C)CN(CC)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1 ZINC001167050802 927381749 /nfs/dbraw/zinc/38/17/49/927381749.db2.gz KOAWVYPEKBWSMU-UHFFFAOYSA-N -1 3 367.421 3.563 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000162660015 937230607 /nfs/dbraw/zinc/23/06/07/937230607.db2.gz WWOTYQBPWVXCID-XCLFUZPHSA-N -1 3 363.461 3.551 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)n1ccccc1=Nc1ccccc1 ZINC000254968999 928588020 /nfs/dbraw/zinc/58/80/20/928588020.db2.gz RXERJPCJCPPDKS-UHFFFAOYSA-N -1 3 372.428 3.583 20 30 FHEDHM CN(Cc1cscn1)Cc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255003165 928856314 /nfs/dbraw/zinc/85/63/14/928856314.db2.gz CLXFQLWSNGVEHU-UHFFFAOYSA-N -1 3 369.446 3.643 20 30 FHEDHM C=CCn1c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1ccc(F)cc1 ZINC000150887032 937332711 /nfs/dbraw/zinc/33/27/11/937332711.db2.gz UFMWPKBBFNAFCE-LBPRGKRZSA-N -1 3 371.441 3.928 20 30 FHEDHM N#Cc1cc(Nc2c(F)cccc2I)ccc1[O-] ZINC001210533087 929946613 /nfs/dbraw/zinc/94/66/13/929946613.db2.gz MPOPHJPNBJATPU-UHFFFAOYSA-N -1 3 354.122 3.751 20 30 FHEDHM COC([O-])=NC(=S)N(c1cc(Cl)cc(C#N)c1)c1ccccc1N ZINC001210539825 929961172 /nfs/dbraw/zinc/96/11/72/929961172.db2.gz LRRKZWFEIPCADH-UHFFFAOYSA-N -1 3 360.826 3.573 20 30 FHEDHM CCc1c(C)sc([N-]C(=O)c2ncsc2Br)c1C#N ZINC000580039167 930101819 /nfs/dbraw/zinc/10/18/19/930101819.db2.gz ZBCHHUKLGNCEQK-UHFFFAOYSA-N -1 3 356.270 3.962 20 30 FHEDHM COc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(OC)c1OC ZINC000430587582 931968074 /nfs/dbraw/zinc/96/80/74/931968074.db2.gz WLEWGQBIFBKPBV-GFCCVEGCSA-N -1 3 374.462 3.956 20 30 FHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3c(c2)CCC(=O)N3)s1 ZINC000430594181 932008223 /nfs/dbraw/zinc/00/82/23/932008223.db2.gz GEBNJHKIIYFPRL-ZDUSSCGKSA-N -1 3 353.447 3.815 20 30 FHEDHM COc1cc(C(=O)/C=C\c2cn(-c3ccc(F)c(Cl)c3)nn2)ccc1[O-] ZINC000588423605 932466541 /nfs/dbraw/zinc/46/65/41/932466541.db2.gz ZNOAWPCIYDMLEI-CLTKARDFSA-N -1 3 373.771 3.670 20 30 FHEDHM COc1cc(/C=C2\COc3c(F)ccc(F)c3C2=O)cc(Cl)c1[O-] ZINC000588425822 932518091 /nfs/dbraw/zinc/51/80/91/932518091.db2.gz OOMBTWDXBRHMGU-RUDMXATFSA-N -1 3 352.720 3.991 20 30 FHEDHM C=CC[C@@H](C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430656641 932639772 /nfs/dbraw/zinc/63/97/72/932639772.db2.gz FSMVRPZFCRQDFM-MRVPVSSYSA-N -1 3 369.646 3.638 20 30 FHEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000610760064 934115476 /nfs/dbraw/zinc/11/54/76/934115476.db2.gz VZQNJEYUXHUPBS-GFCCVEGCSA-N -1 3 358.394 3.792 20 30 FHEDHM N#Cc1ccsc1[N-]C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000158406479 935776374 /nfs/dbraw/zinc/77/63/74/935776374.db2.gz JGWLUXIQBMMGEG-UHFFFAOYSA-N -1 3 374.468 3.766 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)cs1 ZINC000737799459 945128500 /nfs/dbraw/zinc/12/85/00/945128500.db2.gz ORPMRIHQFWGEQU-MDZDMXLPSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)cs1 ZINC000737799459 945128504 /nfs/dbraw/zinc/12/85/04/945128504.db2.gz ORPMRIHQFWGEQU-MDZDMXLPSA-N -1 3 359.414 3.886 20 30 FHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C(C)C)nc1 ZINC000121983393 936285189 /nfs/dbraw/zinc/28/51/89/936285189.db2.gz QMOGWOYMMSPBSC-OAHLLOKOSA-N -1 3 351.406 3.565 20 30 FHEDHM O=[S@](Cc1cccc(N=Cc2ccc(O)c([O-])c2O)c1)c1ccccc1 ZINC000255771494 939197964 /nfs/dbraw/zinc/19/79/64/939197964.db2.gz NZDBJUNLJVQGNK-AREMUKBSSA-N -1 3 367.426 3.862 20 30 FHEDHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)cc1F ZINC000431632822 939908245 /nfs/dbraw/zinc/90/82/45/939908245.db2.gz AZRHTIDZNZHUFH-QGZVFWFLSA-N -1 3 364.417 3.987 20 30 FHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(C(C)=O)c2)cc1 ZINC000892490046 940026725 /nfs/dbraw/zinc/02/67/25/940026725.db2.gz OPFPGLJQMZJUAS-LJQANCHMSA-N -1 3 363.417 3.588 20 30 FHEDHM Cc1ncc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)cc1C#N ZINC000427347627 945304088 /nfs/dbraw/zinc/30/40/88/945304088.db2.gz PUQJHZPSARGUON-UHFFFAOYSA-N -1 3 357.769 3.654 20 30 FHEDHM CSc1cc(C)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000413893284 940243769 /nfs/dbraw/zinc/24/37/69/940243769.db2.gz LCDNXCKYEYTUSO-UHFFFAOYSA-N -1 3 355.463 3.877 20 30 FHEDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000180743813 941071640 /nfs/dbraw/zinc/07/16/40/941071640.db2.gz QMMKCTAYGAOKOY-UHFFFAOYSA-N -1 3 358.316 3.825 20 30 FHEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cccc4n[n-]nc43)cc2)cc1 ZINC000187518232 941102482 /nfs/dbraw/zinc/10/24/82/941102482.db2.gz KHAHRIOEKRKNCI-UHFFFAOYSA-N -1 3 355.357 3.874 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000189362772 941157557 /nfs/dbraw/zinc/15/75/57/941157557.db2.gz HFPPMTXAJFGTAT-IAGOWNOFSA-N -1 3 371.525 3.907 20 30 FHEDHM COc1cc(C(=O)/C=C\c2cc(Cl)cc3c2OCC3)c(OC)cc1[O-] ZINC000782889319 941162441 /nfs/dbraw/zinc/16/24/41/941162441.db2.gz GREJFGJJIGRWTB-ARJAWSKDSA-N -1 3 360.793 3.894 20 30 FHEDHM N#Cc1csc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)c1 ZINC000189750010 941271212 /nfs/dbraw/zinc/27/12/12/941271212.db2.gz YRZPKYOUHLKECY-UHFFFAOYSA-N -1 3 360.851 3.968 20 30 FHEDHM Cc1ccc(-c2nn(CCC#N)cc2C([O-])=C(C#N)c2ccccn2)cc1C ZINC000146861747 941795238 /nfs/dbraw/zinc/79/52/38/941795238.db2.gz OVAYSFMVEZFXJY-SFHVURJKSA-N -1 3 369.428 3.966 20 30 FHEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000416338358 942688108 /nfs/dbraw/zinc/68/81/08/942688108.db2.gz DFBIVIYWUPOLLJ-LJQANCHMSA-N -1 3 352.409 3.919 20 30 FHEDHM CCOc1cc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1[O-] ZINC000014181327 942725536 /nfs/dbraw/zinc/72/55/36/942725536.db2.gz UMVLBVBJIKZGCZ-ZZXKWVIFSA-N -1 3 358.781 3.510 20 30 FHEDHM N#Cc1c2c(sc1NC=C1C(=O)[N-]C(=O)c3ccccc31)CCCCC2 ZINC000016719780 943098470 /nfs/dbraw/zinc/09/84/70/943098470.db2.gz IAGCTKADTCYMEV-WJDWOHSUSA-N -1 3 363.442 3.612 20 30 FHEDHM CC1(C#N)CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000272497532 943165500 /nfs/dbraw/zinc/16/55/00/943165500.db2.gz DBMHYJAPHHSVON-UHFFFAOYSA-N -1 3 354.435 3.783 20 30 FHEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(OCc2ccccc2OC)c1C ZINC000416956073 943242988 /nfs/dbraw/zinc/24/29/88/943242988.db2.gz NBIULXQDKNYZAJ-INIZCTEOSA-N -1 3 374.462 3.627 20 30 FHEDHM C=CCc1cc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc(OC)c1O ZINC000417628190 943766494 /nfs/dbraw/zinc/76/64/94/943766494.db2.gz OZHKEGVVAKPIDQ-ROUUACIJSA-N -1 3 353.418 3.532 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1ccc(F)cc1F ZINC000894773421 944571094 /nfs/dbraw/zinc/57/10/94/944571094.db2.gz HCCIAUKEQCXCFT-UHFFFAOYSA-N -1 3 373.403 3.538 20 30 FHEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436752700 944594476 /nfs/dbraw/zinc/59/44/76/944594476.db2.gz AJYKGLZVQNUTAA-UHFFFAOYSA-N -1 3 352.434 3.676 20 30 FHEDHM CCc1nnc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000050257463 944596387 /nfs/dbraw/zinc/59/63/87/944596387.db2.gz QZONGFOBYWFDCI-UHFFFAOYSA-N -1 3 361.408 3.769 20 30 FHEDHM CC(C)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c([O-])c1 ZINC000436757170 944599590 /nfs/dbraw/zinc/59/95/90/944599590.db2.gz HDUIWJCSNFCYGZ-HXUWFJFHSA-N -1 3 363.461 3.538 20 30 FHEDHM N#Cc1ccccc1Oc1ccccc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473847283 944693950 /nfs/dbraw/zinc/69/39/50/944693950.db2.gz DETFMLXSTPAMPR-LJQANCHMSA-N -1 3 374.400 3.599 20 30 FHEDHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](CCC#N)c3ccccc3)nc2)n1 ZINC000164289110 945611545 /nfs/dbraw/zinc/61/15/45/945611545.db2.gz ONBXUTQOZNQEBF-GOSISDBHSA-N -1 3 359.433 3.851 20 30 FHEDHM N#CC1(CCCO[N-]C(=O)Cc2cccc3ccccc32)CCOCC1 ZINC000281471590 945652392 /nfs/dbraw/zinc/65/23/92/945652392.db2.gz VXPIJLBOEDDSBV-UHFFFAOYSA-N -1 3 352.434 3.531 20 30 FHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000186231481 946637657 /nfs/dbraw/zinc/63/76/57/946637657.db2.gz HWZNJZGWODFVMF-GHMZBOCLSA-N -1 3 366.792 3.611 20 30 FHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000186231498 946637702 /nfs/dbraw/zinc/63/77/02/946637702.db2.gz HWZNJZGWODFVMF-MNOVXSKESA-N -1 3 366.792 3.611 20 30 FHEDHM C[C@@H](Nc1ccc(Br)cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824657561 946886138 /nfs/dbraw/zinc/88/61/38/946886138.db2.gz RFPPWUYCNCEXSD-SNVBAGLBSA-N -1 3 369.226 3.674 20 30 FHEDHM C[C@@H](Nc1ccc(Br)cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824657561 946886148 /nfs/dbraw/zinc/88/61/48/946886148.db2.gz RFPPWUYCNCEXSD-SNVBAGLBSA-N -1 3 369.226 3.674 20 30 FHEDHM C=CCCCCCCCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001573334604 947458714 /nfs/dbraw/zinc/45/87/14/947458714.db2.gz FXDYCLAIJMAGBY-HNNXBMFYSA-N -1 3 356.474 3.754 20 30 FHEDHM C=CCCCCCCCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001573334604 947458718 /nfs/dbraw/zinc/45/87/18/947458718.db2.gz FXDYCLAIJMAGBY-HNNXBMFYSA-N -1 3 356.474 3.754 20 30 FHEDHM C=CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001573340825 947522167 /nfs/dbraw/zinc/52/21/67/947522167.db2.gz BHEVEYWUIKUTFH-ZWKOTPCHSA-N -1 3 359.433 3.728 20 30 FHEDHM C=CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001573340825 947522179 /nfs/dbraw/zinc/52/21/79/947522179.db2.gz BHEVEYWUIKUTFH-ZWKOTPCHSA-N -1 3 359.433 3.728 20 30 FHEDHM COc1ccc2oc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)cc2c1 ZINC000826213666 947623556 /nfs/dbraw/zinc/62/35/56/947623556.db2.gz GKCRDWXDBUHCEH-UTCJRWHESA-N -1 3 364.336 3.657 20 30 FHEDHM COc1ccc2oc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)cc2c1 ZINC000826213666 947623566 /nfs/dbraw/zinc/62/35/66/947623566.db2.gz GKCRDWXDBUHCEH-UTCJRWHESA-N -1 3 364.336 3.657 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(F)c(Cl)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234361 947687527 /nfs/dbraw/zinc/68/75/27/947687527.db2.gz SFIZUEQNDRMHQM-ALCCZGGFSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(F)c(Cl)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234361 947687531 /nfs/dbraw/zinc/68/75/31/947687531.db2.gz SFIZUEQNDRMHQM-ALCCZGGFSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1ccnc(NCc2cccc(-c3ccc(C#N)s3)c2)c1-c1nnn[n-]1 ZINC000826313998 947916090 /nfs/dbraw/zinc/91/60/90/947916090.db2.gz BAPMWDSYNBHWRR-UHFFFAOYSA-N -1 3 373.445 3.782 20 30 FHEDHM Cc1ccnc(NCc2cccc(-c3ccc(C#N)s3)c2)c1-c1nn[n-]n1 ZINC000826313998 947916094 /nfs/dbraw/zinc/91/60/94/947916094.db2.gz BAPMWDSYNBHWRR-UHFFFAOYSA-N -1 3 373.445 3.782 20 30 FHEDHM O=C(C=Cc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400939 948220447 /nfs/dbraw/zinc/22/04/47/948220447.db2.gz LLNZSTXOOQQTHI-QPJJXVBHSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400939 948220456 /nfs/dbraw/zinc/22/04/56/948220456.db2.gz LLNZSTXOOQQTHI-QPJJXVBHSA-N -1 3 373.185 3.664 20 30 FHEDHM C=CCC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000134036837 948253888 /nfs/dbraw/zinc/25/38/88/948253888.db2.gz HKWAVJZTUMUCCI-FQEVSTJZSA-N -1 3 363.461 3.620 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C(C)(C)c1ccccc1 ZINC000585810221 948339280 /nfs/dbraw/zinc/33/92/80/948339280.db2.gz YSEADBAESTZMMQ-UHFFFAOYSA-N -1 3 351.450 3.602 20 30 FHEDHM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)CC1(CC#N)CC1 ZINC000602772008 568028347 /nfs/dbraw/zinc/02/83/47/568028347.db2.gz FMOIFTISVYIPKN-UHFFFAOYSA-N -1 3 369.490 3.613 20 30 FHEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3ccc4nccnc4n3)sc2[C@@H](C)C1 ZINC000569316562 568376565 /nfs/dbraw/zinc/37/65/65/568376565.db2.gz HJCVWEZOZAGGQB-MNOVXSKESA-N -1 3 363.446 3.896 20 30 FHEDHM O=C(C=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1ccco1 ZINC000822930057 607252536 /nfs/dbraw/zinc/25/25/36/607252536.db2.gz XWYLETAGDJXLSR-MDZDMXLPSA-N -1 3 372.384 3.935 20 30 FHEDHM O=C(C=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1ccco1 ZINC000822930057 607252537 /nfs/dbraw/zinc/25/25/37/607252537.db2.gz XWYLETAGDJXLSR-MDZDMXLPSA-N -1 3 372.384 3.935 20 30 FHEDHM CC(C)(C)c1ncc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)s1 ZINC000819965435 599112287 /nfs/dbraw/zinc/11/22/87/599112287.db2.gz HAJLJUATGCFXNU-FMIVXFBMSA-N -1 3 365.462 3.833 20 30 FHEDHM CC(C)(C)c1ncc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)s1 ZINC000819965435 599112289 /nfs/dbraw/zinc/11/22/89/599112289.db2.gz HAJLJUATGCFXNU-FMIVXFBMSA-N -1 3 365.462 3.833 20 30 FHEDHM COc1ccc(C=CC(=O)c2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000737082445 599151096 /nfs/dbraw/zinc/15/10/96/599151096.db2.gz VIYOAOFIMATZCO-LUAWRHEFSA-N -1 3 356.385 3.925 20 30 FHEDHM COc1ccc(C=CC(=O)c2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000737082445 599151098 /nfs/dbraw/zinc/15/10/98/599151098.db2.gz VIYOAOFIMATZCO-LUAWRHEFSA-N -1 3 356.385 3.925 20 30 FHEDHM C=CC[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735409620 599217748 /nfs/dbraw/zinc/21/77/48/599217748.db2.gz GXAYREIMEJGBAW-CYBMUJFWSA-N -1 3 364.409 3.745 20 30 FHEDHM C=CC[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735409620 599217750 /nfs/dbraw/zinc/21/77/50/599217750.db2.gz GXAYREIMEJGBAW-CYBMUJFWSA-N -1 3 364.409 3.745 20 30 FHEDHM C=CCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000735409296 598326779 /nfs/dbraw/zinc/32/67/79/598326779.db2.gz YNHQZCRWZVPLLF-UHFFFAOYSA-N -1 3 351.435 3.599 20 30 FHEDHM C=CCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000735409296 598326780 /nfs/dbraw/zinc/32/67/80/598326780.db2.gz YNHQZCRWZVPLLF-UHFFFAOYSA-N -1 3 351.435 3.599 20 30 FHEDHM CSc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000737191259 598378502 /nfs/dbraw/zinc/37/85/02/598378502.db2.gz BFMXJGAJXWYUSJ-YFHOEESVSA-N -1 3 365.462 3.541 20 30 FHEDHM CSc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000737191259 598378503 /nfs/dbraw/zinc/37/85/03/598378503.db2.gz BFMXJGAJXWYUSJ-YFHOEESVSA-N -1 3 365.462 3.541 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735973792 598557907 /nfs/dbraw/zinc/55/79/07/598557907.db2.gz HHYYIXVKIJPKMC-ZDUSSCGKSA-N -1 3 350.451 3.873 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735973792 598557908 /nfs/dbraw/zinc/55/79/08/598557908.db2.gz HHYYIXVKIJPKMC-ZDUSSCGKSA-N -1 3 350.451 3.873 20 30 FHEDHM Cc1c(C(=O)C=Cc2cc3ccccc3o2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201963 598640624 /nfs/dbraw/zinc/64/06/24/598640624.db2.gz IDZVWZFZVRIVBE-CMDGGOBGSA-N -1 3 359.389 3.565 20 30 FHEDHM Cc1c(C(=O)C=Cc2cc3ccccc3o2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201963 598640626 /nfs/dbraw/zinc/64/06/26/598640626.db2.gz IDZVWZFZVRIVBE-CMDGGOBGSA-N -1 3 359.389 3.565 20 30 FHEDHM O=C(C=Cc1csc(-c2cccs2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000737807146 598641772 /nfs/dbraw/zinc/64/17/72/598641772.db2.gz OEBHTZYDCJJDHO-VOTSOKGWSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1csc(-c2cccs2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000737807146 598641774 /nfs/dbraw/zinc/64/17/74/598641774.db2.gz OEBHTZYDCJJDHO-VOTSOKGWSA-N -1 3 365.443 3.948 20 30 FHEDHM N#Cc1cc(F)ccc1CSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737704895 598697384 /nfs/dbraw/zinc/69/73/84/598697384.db2.gz LLABYCKUQZJHAE-UHFFFAOYSA-N -1 3 369.425 3.580 20 30 FHEDHM C[C@@H](SCCOc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736190393 599325833 /nfs/dbraw/zinc/32/58/33/599325833.db2.gz RTJQXAIXBNPPDL-CYBMUJFWSA-N -1 3 351.435 3.612 20 30 FHEDHM C[C@@H](SCCOc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736190393 599325836 /nfs/dbraw/zinc/32/58/36/599325836.db2.gz RTJQXAIXBNPPDL-CYBMUJFWSA-N -1 3 351.435 3.612 20 30 FHEDHM C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455075 599354383 /nfs/dbraw/zinc/35/43/83/599354383.db2.gz BXVPUXXFBCBWTE-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455075 599354387 /nfs/dbraw/zinc/35/43/87/599354387.db2.gz BXVPUXXFBCBWTE-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM C=C(C)CN(CC)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735399661 599563709 /nfs/dbraw/zinc/56/37/09/599563709.db2.gz SFARXORVYGKRTQ-UHFFFAOYSA-N -1 3 362.437 3.649 20 30 FHEDHM C=CCOCCCC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000819759216 599630126 /nfs/dbraw/zinc/63/01/26/599630126.db2.gz QCWJYUQIFPDZTE-UHFFFAOYSA-N -1 3 369.450 3.517 20 30 FHEDHM C=CCOCCCC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000819759216 599630127 /nfs/dbraw/zinc/63/01/27/599630127.db2.gz QCWJYUQIFPDZTE-UHFFFAOYSA-N -1 3 369.450 3.517 20 30 FHEDHM C=CCCCCCN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819740235 607427424 /nfs/dbraw/zinc/42/74/24/607427424.db2.gz VLINYUQFXYCRPN-UHFFFAOYSA-N -1 3 372.473 3.864 20 30 FHEDHM C=CCCCCCN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819740235 607427425 /nfs/dbraw/zinc/42/74/25/607427425.db2.gz VLINYUQFXYCRPN-UHFFFAOYSA-N -1 3 372.473 3.864 20 30 FHEDHM O=C(C=Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822922744 607455519 /nfs/dbraw/zinc/45/55/19/607455519.db2.gz JAYJVTVQOICLHW-LZCJLJQNSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822922744 607455521 /nfs/dbraw/zinc/45/55/21/607455521.db2.gz JAYJVTVQOICLHW-LZCJLJQNSA-N -1 3 362.286 3.921 20 30 FHEDHM COCCSc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737824135 600597717 /nfs/dbraw/zinc/59/77/17/600597717.db2.gz PIXGWIPYWFIMBW-IFXJQAMLSA-N -1 3 370.474 3.773 20 30 FHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CCO2 ZINC000822195278 607461812 /nfs/dbraw/zinc/46/18/12/607461812.db2.gz MSMJLUBDZGVQQO-ZROIWOOFSA-N -1 3 364.380 3.671 20 30 FHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CCO2 ZINC000822195278 607461813 /nfs/dbraw/zinc/46/18/13/607461813.db2.gz MSMJLUBDZGVQQO-ZROIWOOFSA-N -1 3 364.380 3.671 20 30 FHEDHM CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000829431128 601236095 /nfs/dbraw/zinc/23/60/95/601236095.db2.gz VGAYJGHPXQCIIO-XYJFISCASA-N -1 3 370.449 3.568 20 30 FHEDHM COCCSc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831788462 601303851 /nfs/dbraw/zinc/30/38/51/601303851.db2.gz UTVPKUGWNCJLLC-KUHUBIRLSA-N -1 3 370.474 3.773 20 30 FHEDHM Cc1sc(C(=O)[O-])cc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000833033099 601629132 /nfs/dbraw/zinc/62/91/32/601629132.db2.gz VHCXMQPFWHTYQW-UHFFFAOYSA-N -1 3 356.447 3.670 20 30 FHEDHM N#CCOc1ccc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000833068349 601975051 /nfs/dbraw/zinc/97/50/51/601975051.db2.gz WNQQKBWHAGIZPX-INIZCTEOSA-N -1 3 365.216 3.811 20 30 FHEDHM Cc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000822198905 606049510 /nfs/dbraw/zinc/04/95/10/606049510.db2.gz NNSYZUMGDMVHFV-VURMDHGXSA-N -1 3 369.222 3.834 20 30 FHEDHM Cc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000822198905 606049515 /nfs/dbraw/zinc/04/95/15/606049515.db2.gz NNSYZUMGDMVHFV-VURMDHGXSA-N -1 3 369.222 3.834 20 30 FHEDHM N#Cc1csc(C=C2CCC(=Cc3cc(-c4nnn[n-]4)cs3)C2=O)c1 ZINC000822846246 606302849 /nfs/dbraw/zinc/30/28/49/606302849.db2.gz RIYFSJTZOQIIMM-ZLSVCEQOSA-N -1 3 365.443 3.691 20 30 FHEDHM N#Cc1csc(C=C2CCC(=Cc3cc(-c4nn[n-]n4)cs3)C2=O)c1 ZINC000822846246 606302850 /nfs/dbraw/zinc/30/28/50/606302850.db2.gz RIYFSJTZOQIIMM-ZLSVCEQOSA-N -1 3 365.443 3.691 20 30 FHEDHM Cc1cc(Cl)cc2c1OCC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000822202193 606390891 /nfs/dbraw/zinc/39/08/91/606390891.db2.gz OQLOBENYIDOTBT-WEVVVXLNSA-N -1 3 358.810 3.549 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc3cc(O)ccc3c2)cc1-c1nnn[n-]1 ZINC000821787187 606391964 /nfs/dbraw/zinc/39/19/64/606391964.db2.gz PTQBRLLLIJBRNO-KRXBUXKQSA-N -1 3 372.384 3.630 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc3cc(O)ccc3c2)cc1-c1nn[n-]n1 ZINC000821787187 606391965 /nfs/dbraw/zinc/39/19/65/606391965.db2.gz PTQBRLLLIJBRNO-KRXBUXKQSA-N -1 3 372.384 3.630 20 30 FHEDHM N#Cc1ccc(-c2ccc(OC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)cc1 ZINC000822822707 606462212 /nfs/dbraw/zinc/46/22/12/606462212.db2.gz CLAHRFYDDMLMQY-UHFFFAOYSA-N -1 3 373.397 3.686 20 30 FHEDHM N#Cc1ccc(-c2ccc(OC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)cc1 ZINC000822822707 606462214 /nfs/dbraw/zinc/46/22/14/606462214.db2.gz CLAHRFYDDMLMQY-UHFFFAOYSA-N -1 3 373.397 3.686 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C/C=C\c1ccc(C)cc1 ZINC000819742940 606618764 /nfs/dbraw/zinc/61/87/64/606618764.db2.gz CCZASWYRTNAMCA-WAYWQWQTSA-N -1 3 373.460 3.793 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C/C=C\c1ccc(C)cc1 ZINC000819742940 606618765 /nfs/dbraw/zinc/61/87/65/606618765.db2.gz CCZASWYRTNAMCA-WAYWQWQTSA-N -1 3 373.460 3.793 20 30 FHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000822929475 606836925 /nfs/dbraw/zinc/83/69/25/606836925.db2.gz UXRAECDOLHTQFW-FNORWQNLSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000822929475 606836927 /nfs/dbraw/zinc/83/69/27/606836927.db2.gz UXRAECDOLHTQFW-FNORWQNLSA-N -1 3 373.185 3.664 20 30 FHEDHM CC1CC(C#N)(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820642887 606902132 /nfs/dbraw/zinc/90/21/32/606902132.db2.gz MGJLBXFARJPLPU-UHFFFAOYSA-N -1 3 374.404 3.537 20 30 FHEDHM CC1CC(C#N)(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820642887 606902134 /nfs/dbraw/zinc/90/21/34/606902134.db2.gz MGJLBXFARJPLPU-UHFFFAOYSA-N -1 3 374.404 3.537 20 30 FHEDHM C=CCC(CC=C)C(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000819733741 607005929 /nfs/dbraw/zinc/00/59/29/607005929.db2.gz AZEWAUOBPSUOLJ-UHFFFAOYSA-N -1 3 366.450 3.697 20 30 FHEDHM C=CCC(CC=C)C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000819733741 607005931 /nfs/dbraw/zinc/00/59/31/607005931.db2.gz AZEWAUOBPSUOLJ-UHFFFAOYSA-N -1 3 366.450 3.697 20 30 FHEDHM CC1CC(C#N)(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820648616 607112549 /nfs/dbraw/zinc/11/25/49/607112549.db2.gz CYZWWGPMGUITMY-UHFFFAOYSA-N -1 3 373.416 3.517 20 30 FHEDHM CC1CC(C#N)(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820648616 607112551 /nfs/dbraw/zinc/11/25/51/607112551.db2.gz CYZWWGPMGUITMY-UHFFFAOYSA-N -1 3 373.416 3.517 20 30 FHEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccccc1C(C)(C)C#N ZINC000821411735 607123523 /nfs/dbraw/zinc/12/35/23/607123523.db2.gz AASVVBIFMLDUBC-UHFFFAOYSA-N -1 3 362.437 3.679 20 30 FHEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1C(C)(C)C#N ZINC000821411735 607123524 /nfs/dbraw/zinc/12/35/24/607123524.db2.gz AASVVBIFMLDUBC-UHFFFAOYSA-N -1 3 362.437 3.679 20 30 FHEDHM Cc1cc(Cl)cc2c1OCCC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000822202347 607172259 /nfs/dbraw/zinc/17/22/59/607172259.db2.gz WFNLUUFLSVXRAZ-JXMROGBWSA-N -1 3 372.837 3.939 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1sccc1Br ZINC000826402390 607884547 /nfs/dbraw/zinc/88/45/47/607884547.db2.gz SGMWNZNMQLRMPV-AATRIKPKSA-N -1 3 361.224 3.587 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1sccc1Br ZINC000826402390 607884548 /nfs/dbraw/zinc/88/45/48/607884548.db2.gz SGMWNZNMQLRMPV-AATRIKPKSA-N -1 3 361.224 3.587 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1nc(-c2ccccc2)cs1 ZINC000826401718 607884911 /nfs/dbraw/zinc/88/49/11/607884911.db2.gz FPPHQRXFFGKWRO-KHPPLWFESA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1nc(-c2ccccc2)cs1 ZINC000826401718 607884912 /nfs/dbraw/zinc/88/49/12/607884912.db2.gz FPPHQRXFFGKWRO-KHPPLWFESA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000826400963 607916048 /nfs/dbraw/zinc/91/60/48/607916048.db2.gz LZFNKDJKHVEZJS-FNORWQNLSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000826400963 607916049 /nfs/dbraw/zinc/91/60/49/607916049.db2.gz LZFNKDJKHVEZJS-FNORWQNLSA-N -1 3 373.185 3.664 20 30 FHEDHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(O[C@@H](C)C#N)cc1 ZINC000825352772 607974836 /nfs/dbraw/zinc/97/48/36/607974836.db2.gz QBNFGLWSFWJSEN-ZDUSSCGKSA-N -1 3 373.420 3.584 20 30 FHEDHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(O[C@@H](C)C#N)cc1 ZINC000825352772 607974837 /nfs/dbraw/zinc/97/48/37/607974837.db2.gz QBNFGLWSFWJSEN-ZDUSSCGKSA-N -1 3 373.420 3.584 20 30 FHEDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1Br)c1ccc(C#N)cc1 ZINC000824650646 608047866 /nfs/dbraw/zinc/04/78/66/608047866.db2.gz UKADAXJKHRNZQA-SNVBAGLBSA-N -1 3 369.226 3.674 20 30 FHEDHM O=C(C=Cc1cc(F)ccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000826399788 608048062 /nfs/dbraw/zinc/04/80/62/608048062.db2.gz GBNDEPUAHILGQW-QPJJXVBHSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cc(F)ccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000826399788 608048063 /nfs/dbraw/zinc/04/80/63/608048063.db2.gz GBNDEPUAHILGQW-QPJJXVBHSA-N -1 3 373.185 3.664 20 30 FHEDHM COc1ccc(C=C2C(=O)c3cccc4c3[C@H]2CCC4)cc1-c1nnn[n-]1 ZINC000826190857 608109329 /nfs/dbraw/zinc/10/93/29/608109329.db2.gz PJHLASDSTVDXPL-KNGSKEOJSA-N -1 3 358.401 3.575 20 30 FHEDHM COc1ccc(C=C2C(=O)c3cccc4c3[C@H]2CCC4)cc1-c1nn[n-]n1 ZINC000826190857 608109330 /nfs/dbraw/zinc/10/93/30/608109330.db2.gz PJHLASDSTVDXPL-KNGSKEOJSA-N -1 3 358.401 3.575 20 30 FHEDHM COc1ccc(-c2nnn[n-]2)cc1CON=Cc1ccc(C(C)C)cc1 ZINC000826185139 608151131 /nfs/dbraw/zinc/15/11/31/608151131.db2.gz ZZUBFLILUJIHCW-UHFFFAOYSA-N -1 3 351.410 3.549 20 30 FHEDHM COc1ccc(-c2nn[n-]n2)cc1CON=Cc1ccc(C(C)C)cc1 ZINC000826185139 608151133 /nfs/dbraw/zinc/15/11/33/608151133.db2.gz ZZUBFLILUJIHCW-UHFFFAOYSA-N -1 3 351.410 3.549 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000826395843 608288544 /nfs/dbraw/zinc/28/85/44/608288544.db2.gz VDZJQOXWFTYCDJ-HNQUOIGGSA-N -1 3 366.233 3.713 20 30 FHEDHM C#CCCCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823839107 608298639 /nfs/dbraw/zinc/29/86/39/608298639.db2.gz ZOTGIBYYTUDQNY-UHFFFAOYSA-N -1 3 361.405 3.791 20 30 FHEDHM C#CCCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823839107 608298640 /nfs/dbraw/zinc/29/86/40/608298640.db2.gz ZOTGIBYYTUDQNY-UHFFFAOYSA-N -1 3 361.405 3.791 20 30 FHEDHM C=CCN(Cc1ccc(Cl)s1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000823909576 608383764 /nfs/dbraw/zinc/38/37/64/608383764.db2.gz JSZINVNXMVUQRN-UHFFFAOYSA-N -1 3 363.849 3.909 20 30 FHEDHM C=CCN(Cc1ccc(Cl)s1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000823909576 608383766 /nfs/dbraw/zinc/38/37/66/608383766.db2.gz JSZINVNXMVUQRN-UHFFFAOYSA-N -1 3 363.849 3.909 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826475291 608387795 /nfs/dbraw/zinc/38/77/95/608387795.db2.gz BEPJNMGCXQCQEA-CLFYSBASSA-N -1 3 358.810 3.630 20 30 FHEDHM C[C@@H]1C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@@H]1c1ccccc1 ZINC000824857469 608540197 /nfs/dbraw/zinc/54/01/97/608540197.db2.gz CJTBPPOXBRUREA-GWCFXTLKSA-N -1 3 353.817 3.507 20 30 FHEDHM C[C@@H]1C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@@H]1c1ccccc1 ZINC000824857469 608540198 /nfs/dbraw/zinc/54/01/98/608540198.db2.gz CJTBPPOXBRUREA-GWCFXTLKSA-N -1 3 353.817 3.507 20 30 FHEDHM C[C@@H]1C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@H]1c1ccccc1 ZINC000824857470 608540479 /nfs/dbraw/zinc/54/04/79/608540479.db2.gz CJTBPPOXBRUREA-GXFFZTMASA-N -1 3 353.817 3.507 20 30 FHEDHM C[C@@H]1C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@H]1c1ccccc1 ZINC000824857470 608540481 /nfs/dbraw/zinc/54/04/81/608540481.db2.gz CJTBPPOXBRUREA-GXFFZTMASA-N -1 3 353.817 3.507 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2cc(O)ccc2c1 ZINC000826401124 608881680 /nfs/dbraw/zinc/88/16/80/608881680.db2.gz QFZBIYJKFCKJGX-KRXBUXKQSA-N -1 3 360.348 3.761 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2cc(O)ccc2c1 ZINC000826401124 608881682 /nfs/dbraw/zinc/88/16/82/608881682.db2.gz QFZBIYJKFCKJGX-KRXBUXKQSA-N -1 3 360.348 3.761 20 30 FHEDHM C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824530415 609152504 /nfs/dbraw/zinc/15/25/04/609152504.db2.gz KYYADRTWDCZUBO-ACJLOTCBSA-N -1 3 350.401 3.701 20 30 FHEDHM C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662563 609175460 /nfs/dbraw/zinc/17/54/60/609175460.db2.gz NEIWVXVAXMXKMU-ZDUSSCGKSA-N -1 3 366.400 3.861 20 30 FHEDHM C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662563 609175462 /nfs/dbraw/zinc/17/54/62/609175462.db2.gz NEIWVXVAXMXKMU-ZDUSSCGKSA-N -1 3 366.400 3.861 20 30 FHEDHM O=C(C=Cc1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403400 609275026 /nfs/dbraw/zinc/27/50/26/609275026.db2.gz QXWARRBNYHCXSX-NTMALXAHSA-N -1 3 364.380 3.691 20 30 FHEDHM O=C(C=Cc1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403400 609275028 /nfs/dbraw/zinc/27/50/28/609275028.db2.gz QXWARRBNYHCXSX-NTMALXAHSA-N -1 3 364.380 3.691 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cnc2ccsc2c1 ZINC000823958859 609473252 /nfs/dbraw/zinc/47/32/52/609473252.db2.gz ZNQBSAASFKPYJQ-UHFFFAOYSA-N -1 3 369.841 3.966 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnc2ccsc2c1 ZINC000823958859 609473253 /nfs/dbraw/zinc/47/32/53/609473253.db2.gz ZNQBSAASFKPYJQ-UHFFFAOYSA-N -1 3 369.841 3.966 20 30 FHEDHM COc1ccc(-c2nnn[n-]2)cc1NC1CCC(C#N)(c2ccccc2)CC1 ZINC000826186008 609483006 /nfs/dbraw/zinc/48/30/06/609483006.db2.gz AJCPKHDIAXVKFV-UHFFFAOYSA-N -1 3 374.448 3.691 20 30 FHEDHM COc1ccc(-c2nn[n-]n2)cc1NC1CCC(C#N)(c2ccccc2)CC1 ZINC000826186008 609483008 /nfs/dbraw/zinc/48/30/08/609483008.db2.gz AJCPKHDIAXVKFV-UHFFFAOYSA-N -1 3 374.448 3.691 20 30 FHEDHM N#Cc1csc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c1 ZINC000748076753 928388968 /nfs/dbraw/zinc/38/89/68/928388968.db2.gz SVMCVIPLHNXGHT-UHFFFAOYSA-N -1 3 357.489 3.674 20 30 FHEDHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000254992703 928759324 /nfs/dbraw/zinc/75/93/24/928759324.db2.gz JIVYUFQWFPXGGE-AWEZNQCLSA-N -1 3 368.433 3.877 20 30 FHEDHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000255194275 930496333 /nfs/dbraw/zinc/49/63/33/930496333.db2.gz RULBDFUGRWMCCD-ZDUSSCGKSA-N -1 3 368.433 3.735 20 30 FHEDHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134191147 930507334 /nfs/dbraw/zinc/50/73/34/930507334.db2.gz IJOAIJGZTDJTPS-JTQLQIEISA-N -1 3 350.296 3.689 20 30 FHEDHM COc1cc(C(=O)/C=C\c2c(Cl)nc3ccccn32)c(OC)cc1[O-] ZINC000255345467 932412423 /nfs/dbraw/zinc/41/24/23/932412423.db2.gz OFNXZWQRCGQUID-SREVYHEPSA-N -1 3 358.781 3.607 20 30 FHEDHM [O-]c1c(O)ccc(C=Nc2ccc(-c3cn4ccsc4n3)cc2)c1O ZINC000255392370 933085591 /nfs/dbraw/zinc/08/55/91/933085591.db2.gz HTOFNKKIZSLGMM-UHFFFAOYSA-N -1 3 351.387 3.930 20 30 FHEDHM Cc1nc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)c(C)o1 ZINC000431401088 935651812 /nfs/dbraw/zinc/65/18/12/935651812.db2.gz MSZSNZIMTUUNDN-UHFFFAOYSA-N -1 3 371.447 3.559 20 30 FHEDHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000511118380 935665461 /nfs/dbraw/zinc/66/54/61/935665461.db2.gz BXTQSWINKXJMCP-UHFFFAOYSA-N -1 3 358.463 3.978 20 30 FHEDHM N#Cc1ccccc1-c1ccc(CNC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000548770542 936130855 /nfs/dbraw/zinc/13/08/55/936130855.db2.gz HEHPNTNZCWVWKN-UHFFFAOYSA-N -1 3 367.412 3.617 20 30 FHEDHM COc1ccccc1-c1nc(C(=O)[N-]c2snc(C)c2C#N)cs1 ZINC001270191277 945172943 /nfs/dbraw/zinc/17/29/43/945172943.db2.gz BBMKUWICPCMJAP-UHFFFAOYSA-N -1 3 356.432 3.708 20 30 FHEDHM Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1N1CCCS1(=O)=O ZINC000255676966 939089120 /nfs/dbraw/zinc/08/91/20/939089120.db2.gz YBSCJWXWZAQPPS-UHFFFAOYSA-N -1 3 364.854 3.645 20 30 FHEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)N(CCC#N)c1ccc(F)cc1)c2=O ZINC000587320006 940469993 /nfs/dbraw/zinc/46/99/93/940469993.db2.gz KADYRKPVBPSUOX-UHFFFAOYSA-N -1 3 367.355 3.675 20 30 FHEDHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1cccc(C#N)c1 ZINC000189759160 941273495 /nfs/dbraw/zinc/27/34/95/941273495.db2.gz OUEBXZCNDQFXGK-ZDUSSCGKSA-N -1 3 373.441 3.834 20 30 FHEDHM CCCCCCCCc1nnc([N-]C(=O)c2csc(CN)n2)s1 ZINC000236638244 941531179 /nfs/dbraw/zinc/53/11/79/941531179.db2.gz PNGFLPPJSOUHHP-UHFFFAOYSA-N -1 3 353.517 3.609 20 30 FHEDHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000434634060 942809009 /nfs/dbraw/zinc/80/90/09/942809009.db2.gz OTUDPWCZQLVLGA-UHFFFAOYSA-N -1 3 350.827 3.638 20 30 FHEDHM CCCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)[C@H](C#N)CC ZINC000416956605 943256454 /nfs/dbraw/zinc/25/64/54/943256454.db2.gz NEIWSTXPXLSHDY-LBPRGKRZSA-N -1 3 363.405 3.961 20 30 FHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000436199431 944109277 /nfs/dbraw/zinc/10/92/77/944109277.db2.gz TWRPEVREACBAQF-UHFFFAOYSA-N -1 3 358.810 3.808 20 30 FHEDHM Cc1ccccc1-c1cc(=NC(=O)CCCCOc2cccc(C#N)c2)[nH][n-]1 ZINC000517716967 944531892 /nfs/dbraw/zinc/53/18/92/944531892.db2.gz QJKHKJFESDMYPQ-UHFFFAOYSA-N -1 3 374.444 3.867 20 30 FHEDHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000436787475 944636201 /nfs/dbraw/zinc/63/62/01/944636201.db2.gz PAZWXCZUPRGXHP-UHFFFAOYSA-N -1 3 365.433 3.521 20 30 FHEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000426728838 944736503 /nfs/dbraw/zinc/73/65/03/944736503.db2.gz XVESLILOQHTSCR-SFHVURJKSA-N -1 3 361.825 3.829 20 30 FHEDHM Cc1c(C(=O)C=Cc2cccc3ccccc23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204114 944983249 /nfs/dbraw/zinc/98/32/49/944983249.db2.gz XYZWLLYZIKAQMH-VAWYXSNFSA-N -1 3 369.428 3.972 20 30 FHEDHM Cc1c(C(=O)C=Cc2cccc3ccccc23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204114 944983254 /nfs/dbraw/zinc/98/32/54/944983254.db2.gz XYZWLLYZIKAQMH-VAWYXSNFSA-N -1 3 369.428 3.972 20 30 FHEDHM CSc1ccccc1[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000281789416 945856705 /nfs/dbraw/zinc/85/67/05/945856705.db2.gz OEVHHWDETDOACV-CQSZACIVSA-N -1 3 369.490 3.808 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(-c2ccncc2)c1 ZINC000822922986 946220937 /nfs/dbraw/zinc/22/09/37/946220937.db2.gz LWRYMHHAQSWAKO-PLNGDYQASA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(-c2ccncc2)c1 ZINC000822922986 946220946 /nfs/dbraw/zinc/22/09/46/946220946.db2.gz LWRYMHHAQSWAKO-PLNGDYQASA-N -1 3 359.414 3.886 20 30 FHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000018917374 946287687 /nfs/dbraw/zinc/28/76/87/946287687.db2.gz DKEQLRJXFJIOFA-OPCAMPFDSA-N -1 3 353.393 3.751 20 30 FHEDHM C#CCC(C)(C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@@H](C)CC2 ZINC001573280042 946655541 /nfs/dbraw/zinc/65/55/41/946655541.db2.gz MPLPFPJMGMZIJM-WDEREUQCSA-N -1 3 357.483 3.602 20 30 FHEDHM C#CCC(C)(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@@H](C)CC2 ZINC001573280042 946655544 /nfs/dbraw/zinc/65/55/44/946655544.db2.gz MPLPFPJMGMZIJM-WDEREUQCSA-N -1 3 357.483 3.602 20 30 FHEDHM CC(C)Oc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824333230 946662966 /nfs/dbraw/zinc/66/29/66/946662966.db2.gz GXRLDWCKVAUTKD-NTMALXAHSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824333230 946662969 /nfs/dbraw/zinc/66/29/69/946662969.db2.gz GXRLDWCKVAUTKD-NTMALXAHSA-N -1 3 352.369 3.689 20 30 FHEDHM C#CCC1(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)CCCCC1 ZINC001573285118 946767831 /nfs/dbraw/zinc/76/78/31/946767831.db2.gz SEXDPHWBPIWTKC-UHFFFAOYSA-N -1 3 364.453 3.592 20 30 FHEDHM C#CCC1(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)CCCCC1 ZINC001573285118 946767837 /nfs/dbraw/zinc/76/78/37/946767837.db2.gz SEXDPHWBPIWTKC-UHFFFAOYSA-N -1 3 364.453 3.592 20 30 FHEDHM C[C@@H](Nc1ccc(C#N)cn1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824655129 946887674 /nfs/dbraw/zinc/88/76/74/946887674.db2.gz BJRAKIKYCXQTNY-CQSZACIVSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@@H](Nc1ccc(C#N)cn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824655129 946887683 /nfs/dbraw/zinc/88/76/83/946887683.db2.gz BJRAKIKYCXQTNY-CQSZACIVSA-N -1 3 367.416 3.973 20 30 FHEDHM Cc1cc(O)c(C(C)C)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000088464513 947014466 /nfs/dbraw/zinc/01/44/66/947014466.db2.gz DQOLQSYGRRSZRQ-UHFFFAOYSA-N -1 3 367.449 3.572 20 30 FHEDHM Cc1c(C(=O)C=Cc2c(F)cccc2Cl)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234267 947687585 /nfs/dbraw/zinc/68/75/85/947687585.db2.gz OHQGBIBGMOGGHA-FPLPWBNLSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1c(C(=O)C=Cc2c(F)cccc2Cl)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234267 947687590 /nfs/dbraw/zinc/68/75/90/947687590.db2.gz OHQGBIBGMOGGHA-FPLPWBNLSA-N -1 3 371.803 3.611 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400588 948217916 /nfs/dbraw/zinc/21/79/16/948217916.db2.gz BYGMGJPPHORCGN-RMKNXTFCSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400588 948217922 /nfs/dbraw/zinc/21/79/22/948217922.db2.gz BYGMGJPPHORCGN-RMKNXTFCSA-N -1 3 371.375 3.964 20 30 FHEDHM C=CCCC[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001464882416 948530752 /nfs/dbraw/zinc/53/07/52/948530752.db2.gz NHIIYPOOMFQTEY-LJQANCHMSA-N -1 3 361.449 3.623 20 30 FHEDHM C=CCCC[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001464882416 948530757 /nfs/dbraw/zinc/53/07/57/948530757.db2.gz NHIIYPOOMFQTEY-LJQANCHMSA-N -1 3 361.449 3.623 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000018131273 220225093 /nfs/dbraw/zinc/22/50/93/220225093.db2.gz RPWNNBUCWMKVJT-FQEVSTJZSA-N -1 3 365.477 3.700 20 30 FHEDHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H]1CCC[C@@H]1C#N ZINC000602977925 568036344 /nfs/dbraw/zinc/03/63/44/568036344.db2.gz IWFRMOHMBMPKBC-DGCLKSJQSA-N -1 3 354.435 3.781 20 30 FHEDHM COc1ccc([N-]S(=O)(=O)c2ccccc2NCCCCC#N)cc1 ZINC000603287045 568082969 /nfs/dbraw/zinc/08/29/69/568082969.db2.gz BRWMWUHBKWQJFK-UHFFFAOYSA-N -1 3 359.451 3.602 20 30 FHEDHM CCCc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1cccc(Cl)c1 ZINC000069580601 568096587 /nfs/dbraw/zinc/09/65/87/568096587.db2.gz SFIIYIXGDRTCCE-HNNXBMFYSA-N -1 3 365.824 3.758 20 30 FHEDHM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)C[C@H]3CCCCO3)c2)cc1 ZINC000150858170 568315514 /nfs/dbraw/zinc/31/55/14/568315514.db2.gz CJIKUNPDZXFMRV-LJQANCHMSA-N -1 3 372.446 3.661 20 30 FHEDHM N#Cc1ccc(C(F)(F)F)nc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000584707728 568361118 /nfs/dbraw/zinc/36/11/18/568361118.db2.gz OIWKGGYUJKSTMZ-UHFFFAOYSA-N -1 3 352.341 3.637 20 30 FHEDHM CC[C@@H](C)[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000736320744 598918498 /nfs/dbraw/zinc/91/84/98/598918498.db2.gz WUQJAJLHFCIOGI-FZKQIMNGSA-N -1 3 360.421 3.507 20 30 FHEDHM CC[C@@H](C)[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000736320744 598918499 /nfs/dbraw/zinc/91/84/99/598918499.db2.gz WUQJAJLHFCIOGI-FZKQIMNGSA-N -1 3 360.421 3.507 20 30 FHEDHM COc1ccccc1-c1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737143934 599068362 /nfs/dbraw/zinc/06/83/62/599068362.db2.gz VTQNQPBOWHQUNE-UHFFFAOYSA-N -1 3 370.416 3.988 20 30 FHEDHM CC(C)Oc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000820178428 599112628 /nfs/dbraw/zinc/11/26/28/599112628.db2.gz PNUILSMIIDWFAT-YBEGLDIGSA-N -1 3 360.417 3.866 20 30 FHEDHM CC(C)Oc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000820178428 599112630 /nfs/dbraw/zinc/11/26/30/599112630.db2.gz PNUILSMIIDWFAT-YBEGLDIGSA-N -1 3 360.417 3.866 20 30 FHEDHM O=C1C(=Cc2nccc3ccccc32)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503353 599116882 /nfs/dbraw/zinc/11/68/82/599116882.db2.gz DGPLYZLPTLKBPF-QINSGFPZSA-N -1 3 353.385 3.627 20 30 FHEDHM O=C1C(=Cc2nccc3ccccc32)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503353 599116884 /nfs/dbraw/zinc/11/68/84/599116884.db2.gz DGPLYZLPTLKBPF-QINSGFPZSA-N -1 3 353.385 3.627 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(OC(C)C)cc2)cc1-c1nnn[n-]1 ZINC000737080721 599153288 /nfs/dbraw/zinc/15/32/88/599153288.db2.gz GYRBHKBBGZWLTA-WMZJFQQLSA-N -1 3 364.405 3.559 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(OC(C)C)cc2)cc1-c1nn[n-]n1 ZINC000737080721 599153291 /nfs/dbraw/zinc/15/32/91/599153291.db2.gz GYRBHKBBGZWLTA-WMZJFQQLSA-N -1 3 364.405 3.559 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(C(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737082056 599156303 /nfs/dbraw/zinc/15/63/03/599156303.db2.gz TTZXQCYTCDBEGC-WAPJZHGLSA-N -1 3 374.322 3.790 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(C(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737082056 599156306 /nfs/dbraw/zinc/15/63/06/599156306.db2.gz TTZXQCYTCDBEGC-WAPJZHGLSA-N -1 3 374.322 3.790 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccccc2C)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737424200 599158169 /nfs/dbraw/zinc/15/81/69/599158169.db2.gz TUSNAYJEKABVGS-FMIVXFBMSA-N -1 3 370.416 3.565 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)CCCCCC ZINC000735419433 599184020 /nfs/dbraw/zinc/18/40/20/599184020.db2.gz SZOBGDFBHJEQGT-INIZCTEOSA-N -1 3 355.486 3.988 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)CCCCCC ZINC000735419433 599184022 /nfs/dbraw/zinc/18/40/22/599184022.db2.gz SZOBGDFBHJEQGT-INIZCTEOSA-N -1 3 355.486 3.988 20 30 FHEDHM C[C@H](Sc1nc2c(cc1C#N)CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193900 599287747 /nfs/dbraw/zinc/28/77/47/599287747.db2.gz VVBCCJGXRBYZCR-LBPRGKRZSA-N -1 3 362.462 3.865 20 30 FHEDHM C[C@H](Sc1nc2c(cc1C#N)CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193900 599287748 /nfs/dbraw/zinc/28/77/48/599287748.db2.gz VVBCCJGXRBYZCR-LBPRGKRZSA-N -1 3 362.462 3.865 20 30 FHEDHM C(=NN=C1c2ccccc2-c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735401167 598248454 /nfs/dbraw/zinc/24/84/54/598248454.db2.gz YNQDIPCBCRCQFF-UHFFFAOYSA-N -1 3 350.385 3.719 20 30 FHEDHM C(=NN=C1c2ccccc2-c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735401167 598248457 /nfs/dbraw/zinc/24/84/57/598248457.db2.gz YNQDIPCBCRCQFF-UHFFFAOYSA-N -1 3 350.385 3.719 20 30 FHEDHM CC(Cc1ccsc1)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736067195 598276638 /nfs/dbraw/zinc/27/66/38/598276638.db2.gz VMNWIPBZMOIBDS-UHFFFAOYSA-N -1 3 366.372 3.978 20 30 FHEDHM CC(Cc1ccsc1)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736067195 598276639 /nfs/dbraw/zinc/27/66/39/598276639.db2.gz VMNWIPBZMOIBDS-UHFFFAOYSA-N -1 3 366.372 3.978 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(C(C)C)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201367 598378308 /nfs/dbraw/zinc/37/83/08/598378308.db2.gz DDKONIYJFAZVLF-DHZHZOJOSA-N -1 3 361.449 3.942 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccc(C(C)C)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201367 598378310 /nfs/dbraw/zinc/37/83/10/598378310.db2.gz DDKONIYJFAZVLF-DHZHZOJOSA-N -1 3 361.449 3.942 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC000735506333 598502948 /nfs/dbraw/zinc/50/29/48/598502948.db2.gz VVDOFKMCVOBAFF-CYBMUJFWSA-N -1 3 350.451 3.731 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC000735506333 598502950 /nfs/dbraw/zinc/50/29/50/598502950.db2.gz VVDOFKMCVOBAFF-CYBMUJFWSA-N -1 3 350.451 3.731 20 30 FHEDHM O=C1c2cccc(Cl)c2SCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738292205 598641468 /nfs/dbraw/zinc/64/14/68/598641468.db2.gz YMNKIMMFESLVRG-WQLSENKSSA-N -1 3 354.822 3.892 20 30 FHEDHM O=C1c2cccc(Cl)c2SCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738292205 598641469 /nfs/dbraw/zinc/64/14/69/598641469.db2.gz YMNKIMMFESLVRG-WQLSENKSSA-N -1 3 354.822 3.892 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)c(C)c1 ZINC000735419818 598717561 /nfs/dbraw/zinc/71/75/61/598717561.db2.gz IUPICJZJPQNQLG-UHFFFAOYSA-N -1 3 366.400 3.534 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)c(C)c1 ZINC000735419818 598717563 /nfs/dbraw/zinc/71/75/63/598717563.db2.gz IUPICJZJPQNQLG-UHFFFAOYSA-N -1 3 366.400 3.534 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(C(F)F)c1 ZINC000735420707 598789960 /nfs/dbraw/zinc/78/99/60/598789960.db2.gz QOZMABYRXOLIFO-UHFFFAOYSA-N -1 3 369.375 3.633 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(C(F)F)c1 ZINC000735420707 598789961 /nfs/dbraw/zinc/78/99/61/598789961.db2.gz QOZMABYRXOLIFO-UHFFFAOYSA-N -1 3 369.375 3.633 20 30 FHEDHM Cc1nn(-c2ccccc2)c(CSc2ccccc2-c2nnn[n-]2)c1C#N ZINC000822486297 599350658 /nfs/dbraw/zinc/35/06/58/599350658.db2.gz FJXRKYJJCLZHGD-UHFFFAOYSA-N -1 3 373.445 3.525 20 30 FHEDHM Cc1nn(-c2ccccc2)c(CSc2ccccc2-c2nn[n-]n2)c1C#N ZINC000822486297 599350663 /nfs/dbraw/zinc/35/06/63/599350663.db2.gz FJXRKYJJCLZHGD-UHFFFAOYSA-N -1 3 373.445 3.525 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2occc2s1 ZINC000735419998 599373109 /nfs/dbraw/zinc/37/31/09/599373109.db2.gz LOBLQQIIKJRRJL-UHFFFAOYSA-N -1 3 365.418 3.503 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2occc2s1 ZINC000735419998 599373112 /nfs/dbraw/zinc/37/31/12/599373112.db2.gz LOBLQQIIKJRRJL-UHFFFAOYSA-N -1 3 365.418 3.503 20 30 FHEDHM CCCCc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000736463371 599460028 /nfs/dbraw/zinc/46/00/28/599460028.db2.gz OGTZHBOZIABHKK-KHPPLWFESA-N -1 3 372.432 3.753 20 30 FHEDHM CCCCc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000736463371 599460030 /nfs/dbraw/zinc/46/00/30/599460030.db2.gz OGTZHBOZIABHKK-KHPPLWFESA-N -1 3 372.432 3.753 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC/C=C/c1ccccc1 ZINC000735420047 599543300 /nfs/dbraw/zinc/54/33/00/599543300.db2.gz MDVYDIOODRFRFQ-IZZDOVSWSA-N -1 3 373.460 3.875 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC/C=C/c1ccccc1 ZINC000735420047 599543301 /nfs/dbraw/zinc/54/33/01/599543301.db2.gz MDVYDIOODRFRFQ-IZZDOVSWSA-N -1 3 373.460 3.875 20 30 FHEDHM CC[C@H](C#N)Oc1cccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736847563 600437540 /nfs/dbraw/zinc/43/75/40/600437540.db2.gz DQGGFRGBPVTEJI-AEFFLSMTSA-N -1 3 358.825 3.936 20 30 FHEDHM CCN(CC)c1ccc(/C=[NH+]/[C@@H](CC(=O)[O-])c2ccc(OC)cc2)c([O-])c1 ZINC000737089499 600494492 /nfs/dbraw/zinc/49/44/92/600494492.db2.gz XFXMLVOCTWSWNY-KWJZBXMYSA-N -1 3 370.449 3.882 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822424516 607458488 /nfs/dbraw/zinc/45/84/88/607458488.db2.gz WTFFNFJGBWXDBP-BQYQJAHWSA-N -1 3 371.441 3.964 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822424516 607458489 /nfs/dbraw/zinc/45/84/89/607458489.db2.gz WTFFNFJGBWXDBP-BQYQJAHWSA-N -1 3 371.441 3.964 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)cc1 ZINC000822923775 607455393 /nfs/dbraw/zinc/45/53/93/607455393.db2.gz UFSFORUIMZJBND-YVMONPNESA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)cc1 ZINC000822923775 607455394 /nfs/dbraw/zinc/45/53/94/607455394.db2.gz UFSFORUIMZJBND-YVMONPNESA-N -1 3 373.185 3.664 20 30 FHEDHM N#Cc1ccc([C@@H](NCc2ccc(F)cc2C(F)(F)F)C(=O)[O-])cc1 ZINC000739109035 600594127 /nfs/dbraw/zinc/59/41/27/600594127.db2.gz ZUQUAMPQPARXAI-OAHLLOKOSA-N -1 3 352.287 3.632 20 30 FHEDHM CC(C)(C)OCc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736285313 600597585 /nfs/dbraw/zinc/59/75/85/600597585.db2.gz CLTBOPFOMRIUSF-IBGZPJMESA-N -1 3 352.434 3.789 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822259136 607456607 /nfs/dbraw/zinc/45/66/07/607456607.db2.gz NMOVBFHHGUURAK-AATRIKPKSA-N -1 3 374.322 3.812 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822259136 607456608 /nfs/dbraw/zinc/45/66/08/607456608.db2.gz NMOVBFHHGUURAK-AATRIKPKSA-N -1 3 374.322 3.812 20 30 FHEDHM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821824527 607458293 /nfs/dbraw/zinc/45/82/93/607458293.db2.gz LUAWGHFWFPEBTK-GQCTYLIASA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821824527 607458294 /nfs/dbraw/zinc/45/82/94/607458294.db2.gz LUAWGHFWFPEBTK-GQCTYLIASA-N -1 3 358.760 3.564 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2cc(O)ccc2c1 ZINC000822924272 607460583 /nfs/dbraw/zinc/46/05/83/607460583.db2.gz ZRMHDCXXLIXEQY-VURMDHGXSA-N -1 3 360.348 3.761 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2cc(O)ccc2c1 ZINC000822924272 607460584 /nfs/dbraw/zinc/46/05/84/607460584.db2.gz ZRMHDCXXLIXEQY-VURMDHGXSA-N -1 3 360.348 3.761 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823503825 607460926 /nfs/dbraw/zinc/46/09/26/607460926.db2.gz JFRBOBRGMKCJQC-FLIBITNWSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503825 607460928 /nfs/dbraw/zinc/46/09/28/607460928.db2.gz JFRBOBRGMKCJQC-FLIBITNWSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(OC(F)F)c1 ZINC000822924260 607458842 /nfs/dbraw/zinc/45/88/42/607458842.db2.gz ZPPQXNPXARRLJQ-VOTSOKGWSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(OC(F)F)c1 ZINC000822924260 607458844 /nfs/dbraw/zinc/45/88/44/607458844.db2.gz ZPPQXNPXARRLJQ-VOTSOKGWSA-N -1 3 360.295 3.503 20 30 FHEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)ccc1SC ZINC000821703050 607459519 /nfs/dbraw/zinc/45/95/19/607459519.db2.gz MOADLVMWDPFWSJ-ALCCZGGFSA-N -1 3 370.409 3.632 20 30 FHEDHM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)ccc1SC ZINC000821703050 607459520 /nfs/dbraw/zinc/45/95/20/607459520.db2.gz MOADLVMWDPFWSJ-ALCCZGGFSA-N -1 3 370.409 3.632 20 30 FHEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000827717414 601297388 /nfs/dbraw/zinc/29/73/88/601297388.db2.gz HLMFKGJVABXXEX-MEDUHNTESA-N -1 3 359.223 3.797 20 30 FHEDHM COc1cc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(C)C ZINC000831955196 601300936 /nfs/dbraw/zinc/30/09/36/601300936.db2.gz FWFKIRHDSAZDIR-JLTOFOAXSA-N -1 3 368.433 3.831 20 30 FHEDHM CCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000830022168 601301865 /nfs/dbraw/zinc/30/18/65/601301865.db2.gz RFTYDTKXEKNWDG-QGZVFWFLSA-N -1 3 374.824 3.534 20 30 FHEDHM Cc1cc(Br)cc(C)c1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832859019 601303227 /nfs/dbraw/zinc/30/32/27/601303227.db2.gz ULFJAADWMKZYHQ-QGZVFWFLSA-N -1 3 373.250 3.853 20 30 FHEDHM CCC[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000739299714 602670445 /nfs/dbraw/zinc/67/04/45/602670445.db2.gz AOVGZSMZFKFJBT-UONOGXRCSA-N -1 3 357.435 3.731 20 30 FHEDHM CCN(CC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)C(=O)[O-] ZINC000739384542 602864415 /nfs/dbraw/zinc/86/44/15/602864415.db2.gz HOSQUVWIHSWQNF-LBPRGKRZSA-N -1 3 363.826 3.640 20 30 FHEDHM C[C@H](C#N)Oc1ccc(CNCc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000823648575 604412735 /nfs/dbraw/zinc/41/27/35/604412735.db2.gz USEKVRURPGIKDT-HUUCEWRRSA-N -1 3 353.422 3.596 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccccc2C2CC2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015959 606195522 /nfs/dbraw/zinc/19/55/22/606195522.db2.gz REMGRPVOCRMESE-ZHACJKMWSA-N -1 3 359.433 3.696 20 30 FHEDHM Cc1c(C(=O)C=Cc2ccccc2C2CC2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015959 606195525 /nfs/dbraw/zinc/19/55/25/606195525.db2.gz REMGRPVOCRMESE-ZHACJKMWSA-N -1 3 359.433 3.696 20 30 FHEDHM C(=NN(Cc1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000819719041 606201507 /nfs/dbraw/zinc/20/15/07/606201507.db2.gz XPXQNCYEYHANLA-UHFFFAOYSA-N -1 3 360.446 3.969 20 30 FHEDHM C(=NN(Cc1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000819719041 606201509 /nfs/dbraw/zinc/20/15/09/606201509.db2.gz XPXQNCYEYHANLA-UHFFFAOYSA-N -1 3 360.446 3.969 20 30 FHEDHM Clc1cc(Cl)c(N=NCc2cc(-c3nnn[n-]3)cs2)nc1Cl ZINC000822568265 606204166 /nfs/dbraw/zinc/20/41/66/606204166.db2.gz NZFYWWYSALXWJV-UHFFFAOYSA-N -1 3 374.644 3.729 20 30 FHEDHM Clc1cc(Cl)c(N=NCc2cc(-c3nn[n-]n3)cs2)nc1Cl ZINC000822568265 606204168 /nfs/dbraw/zinc/20/41/68/606204168.db2.gz NZFYWWYSALXWJV-UHFFFAOYSA-N -1 3 374.644 3.729 20 30 FHEDHM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c2ccccc12 ZINC000821769895 606304228 /nfs/dbraw/zinc/30/42/28/606304228.db2.gz LSVNVAIFQAECFC-SOFGYWHQSA-N -1 3 362.414 3.986 20 30 FHEDHM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c2ccccc12 ZINC000821769895 606304230 /nfs/dbraw/zinc/30/42/30/606304230.db2.gz LSVNVAIFQAECFC-SOFGYWHQSA-N -1 3 362.414 3.986 20 30 FHEDHM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nnn[n-]4)s3)C2=O)s1 ZINC000822825737 606387766 /nfs/dbraw/zinc/38/77/66/606387766.db2.gz NOKBLSCIKLYRHX-BDLVGCLISA-N -1 3 365.443 3.691 20 30 FHEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c2ccccc12 ZINC000821769494 606388462 /nfs/dbraw/zinc/38/84/62/606388462.db2.gz IBBBALRNJDANLU-TWGQIWQCSA-N -1 3 362.414 3.986 20 30 FHEDHM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822423833 606390903 /nfs/dbraw/zinc/39/09/03/606390903.db2.gz POLZUVGMBMMNDY-ALCCZGGFSA-N -1 3 359.480 3.887 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1sccc1Br ZINC000822928918 606391631 /nfs/dbraw/zinc/39/16/31/606391631.db2.gz NEBAURPUEHTQAF-HNQUOIGGSA-N -1 3 367.253 3.648 20 30 FHEDHM CCOc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821421967 606392195 /nfs/dbraw/zinc/39/21/95/606392195.db2.gz JBSCMJGXNBWWCK-XQRVVYSFSA-N -1 3 360.826 3.876 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(OC(F)(F)F)c1 ZINC000822929140 606392854 /nfs/dbraw/zinc/39/28/54/606392854.db2.gz QGCWEDYKQXNLQI-GQCTYLIASA-N -1 3 366.324 3.723 20 30 FHEDHM N#Cc1cccc(Oc2ccc(Nc3ncccc3-c3nnn[n-]3)cc2)c1 ZINC000822837015 606432750 /nfs/dbraw/zinc/43/27/50/606432750.db2.gz FKFLMZTUHAIWOU-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM N#Cc1cccc(Oc2ccc(Nc3ncccc3-c3nn[n-]n3)cc2)c1 ZINC000822837015 606432752 /nfs/dbraw/zinc/43/27/52/606432752.db2.gz FKFLMZTUHAIWOU-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820219081 606510880 /nfs/dbraw/zinc/51/08/80/606510880.db2.gz CHHLTELUIMKGQU-JTQLQIEISA-N -1 3 370.463 3.575 20 30 FHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820219081 606510881 /nfs/dbraw/zinc/51/08/81/606510881.db2.gz CHHLTELUIMKGQU-JTQLQIEISA-N -1 3 370.463 3.575 20 30 FHEDHM N#Cc1ccc(CSCc2cccc(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000822825753 606599371 /nfs/dbraw/zinc/59/93/71/606599371.db2.gz NZXVSKLFQLRTIS-UHFFFAOYSA-N -1 3 373.388 3.773 20 30 FHEDHM N#Cc1ccc(CSCc2cccc(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000822825753 606599372 /nfs/dbraw/zinc/59/93/72/606599372.db2.gz NZXVSKLFQLRTIS-UHFFFAOYSA-N -1 3 373.388 3.773 20 30 FHEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000819868428 606603123 /nfs/dbraw/zinc/60/31/23/606603123.db2.gz XYWMYSIXDBDXQZ-ZDUSSCGKSA-N -1 3 368.400 3.634 20 30 FHEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000819868428 606603125 /nfs/dbraw/zinc/60/31/25/606603125.db2.gz XYWMYSIXDBDXQZ-ZDUSSCGKSA-N -1 3 368.400 3.634 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cc(Br)ccc1F ZINC000822928252 606836738 /nfs/dbraw/zinc/83/67/38/606836738.db2.gz FTAJSWILPDLHTA-DAXSKMNVSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cc(Br)ccc1F ZINC000822928252 606836740 /nfs/dbraw/zinc/83/67/40/606836740.db2.gz FTAJSWILPDLHTA-DAXSKMNVSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000822929473 606836967 /nfs/dbraw/zinc/83/69/67/606836967.db2.gz UXRAECDOLHTQFW-ALCCZGGFSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(Br)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000822929473 606836969 /nfs/dbraw/zinc/83/69/69/606836969.db2.gz UXRAECDOLHTQFW-ALCCZGGFSA-N -1 3 373.185 3.664 20 30 FHEDHM C=CCC(CC=C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000819735023 607006471 /nfs/dbraw/zinc/00/64/71/607006471.db2.gz YVVTTYCWFFONRV-UHFFFAOYSA-N -1 3 357.483 3.904 20 30 FHEDHM C=CCC(CC=C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000819735023 607006472 /nfs/dbraw/zinc/00/64/72/607006472.db2.gz YVVTTYCWFFONRV-UHFFFAOYSA-N -1 3 357.483 3.904 20 30 FHEDHM N#Cc1ccc(CSc2cccc(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000822825743 607017781 /nfs/dbraw/zinc/01/77/81/607017781.db2.gz NPIQBFWQQRCLPX-UHFFFAOYSA-N -1 3 359.361 3.632 20 30 FHEDHM N#Cc1ccc(CSc2cccc(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000822825743 607017782 /nfs/dbraw/zinc/01/77/82/607017782.db2.gz NPIQBFWQQRCLPX-UHFFFAOYSA-N -1 3 359.361 3.632 20 30 FHEDHM COc1ccc(CSc2ccc(C#N)cc2Cl)cc1-c1nnn[n-]1 ZINC000826208130 607845651 /nfs/dbraw/zinc/84/56/51/607845651.db2.gz UYFFQECEDZLYOO-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM COc1ccc(CSc2ccc(C#N)cc2Cl)cc1-c1nn[n-]n1 ZINC000826208130 607845652 /nfs/dbraw/zinc/84/56/52/607845652.db2.gz UYFFQECEDZLYOO-UHFFFAOYSA-N -1 3 357.826 3.693 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000826401637 607882670 /nfs/dbraw/zinc/88/26/70/607882670.db2.gz CVGWNBRBTGJFAF-YFHOEESVSA-N -1 3 355.195 3.525 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000826401637 607882671 /nfs/dbraw/zinc/88/26/71/607882671.db2.gz CVGWNBRBTGJFAF-YFHOEESVSA-N -1 3 355.195 3.525 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000823883285 607999811 /nfs/dbraw/zinc/99/98/11/607999811.db2.gz NGJFVQDRHNWXPV-LBPRGKRZSA-N -1 3 353.813 3.819 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000823883285 607999812 /nfs/dbraw/zinc/99/98/12/607999812.db2.gz NGJFVQDRHNWXPV-LBPRGKRZSA-N -1 3 353.813 3.819 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC000823883561 608003430 /nfs/dbraw/zinc/00/34/30/608003430.db2.gz UBZRROIRZKECEP-AWEZNQCLSA-N -1 3 364.453 3.722 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1 ZINC000823883561 608003431 /nfs/dbraw/zinc/00/34/31/608003431.db2.gz UBZRROIRZKECEP-AWEZNQCLSA-N -1 3 364.453 3.722 20 30 FHEDHM CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823963148 608091563 /nfs/dbraw/zinc/09/15/63/608091563.db2.gz WUUITVHWSNPIOE-UHFFFAOYSA-N -1 3 352.345 3.783 20 30 FHEDHM CC(=NNc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823962224 608091821 /nfs/dbraw/zinc/09/18/21/608091821.db2.gz HTXURTKYBHZBLV-UHFFFAOYSA-N -1 3 352.345 3.783 20 30 FHEDHM C[C@@]1(C#N)CCCN(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000824777082 608125832 /nfs/dbraw/zinc/12/58/32/608125832.db2.gz HOGMHADCDLBXBV-NRFANRHFSA-N -1 3 358.449 3.659 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000826395779 608288656 /nfs/dbraw/zinc/28/86/56/608288656.db2.gz SHYQBDSFPXHDDO-OWOJBTEDSA-N -1 3 366.233 3.713 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000826395779 608288658 /nfs/dbraw/zinc/28/86/58/608288658.db2.gz SHYQBDSFPXHDDO-OWOJBTEDSA-N -1 3 366.233 3.713 20 30 FHEDHM O=C1c2cccc(Br)c2CC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826476015 608288834 /nfs/dbraw/zinc/28/88/34/608288834.db2.gz YUGLLDNSLQIZJZ-VURMDHGXSA-N -1 3 373.235 3.513 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475838 608387858 /nfs/dbraw/zinc/38/78/58/608387858.db2.gz SLXLYIJSOYDPFY-XFFZJAGNSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475838 608387860 /nfs/dbraw/zinc/38/78/60/608387860.db2.gz SLXLYIJSOYDPFY-XFFZJAGNSA-N -1 3 370.771 3.708 20 30 FHEDHM CCc1oc2ccccc2c1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825777585 608536260 /nfs/dbraw/zinc/53/62/60/608536260.db2.gz YYSPGPXOGNVTRH-UHFFFAOYSA-N -1 3 367.800 3.670 20 30 FHEDHM C[C@H](CCc1ccccc1)CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824385282 608540662 /nfs/dbraw/zinc/54/06/62/608540662.db2.gz PMAOFWIGJWIKKZ-GFCCVEGCSA-N -1 3 355.833 3.582 20 30 FHEDHM C[C@H](CCc1ccccc1)CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824385282 608540664 /nfs/dbraw/zinc/54/06/64/608540664.db2.gz PMAOFWIGJWIKKZ-GFCCVEGCSA-N -1 3 355.833 3.582 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475939 608881348 /nfs/dbraw/zinc/88/13/48/608881348.db2.gz WTHNWHIUBRHUAD-XFFZJAGNSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475939 608881351 /nfs/dbraw/zinc/88/13/51/608881351.db2.gz WTHNWHIUBRHUAD-XFFZJAGNSA-N -1 3 370.771 3.708 20 30 FHEDHM CCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825341379 609273506 /nfs/dbraw/zinc/27/35/06/609273506.db2.gz BGIHUSPHYLVHKY-RMKNXTFCSA-N -1 3 352.369 3.691 20 30 FHEDHM CCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825341379 609273508 /nfs/dbraw/zinc/27/35/08/609273508.db2.gz BGIHUSPHYLVHKY-RMKNXTFCSA-N -1 3 352.369 3.691 20 30 FHEDHM O=C(CSCC(F)(F)F)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000182771308 929324284 /nfs/dbraw/zinc/32/42/84/929324284.db2.gz POLNEJGVLIOPDI-JTQLQIEISA-N -1 3 367.261 3.980 20 30 FHEDHM [O-]c1c(O)ccc(C=Nc2ccc3nc(N4CCCC4)sc3c2)c1O ZINC000255291929 931855102 /nfs/dbraw/zinc/85/51/02/931855102.db2.gz VQKNLQQFWHOLAC-UHFFFAOYSA-N -1 3 355.419 3.764 20 30 FHEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000471793526 932938440 /nfs/dbraw/zinc/93/84/40/932938440.db2.gz NODDGOBFTJLDKH-LBPRGKRZSA-N -1 3 358.394 3.792 20 30 FHEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000610760065 934116042 /nfs/dbraw/zinc/11/60/42/934116042.db2.gz VZQNJEYUXHUPBS-LBPRGKRZSA-N -1 3 358.394 3.792 20 30 FHEDHM Cc1noc(C)c1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000014621373 935467301 /nfs/dbraw/zinc/46/73/01/935467301.db2.gz UVLBJMYCNZANPF-UHFFFAOYSA-N -1 3 371.447 3.559 20 30 FHEDHM CN(C)C(=O)c1cc(N=Cc2cc(Br)ccc2[O-])ccc1F ZINC000255516323 935845625 /nfs/dbraw/zinc/84/56/25/935845625.db2.gz DWQSRGXEBVDMMY-UHFFFAOYSA-N -1 3 365.202 3.746 20 30 FHEDHM N#CCCCOc1cccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)c1 ZINC000583618251 938325085 /nfs/dbraw/zinc/32/50/85/938325085.db2.gz ALOYYBVUDGQNNP-OAQYLSRUSA-N -1 3 368.408 3.524 20 30 FHEDHM Cc1nsc([N-]C(=O)c2cc(Br)c(F)cc2F)c1C#N ZINC001270191510 945174414 /nfs/dbraw/zinc/17/44/14/945174414.db2.gz GZBKNNRBCRWGDW-UHFFFAOYSA-N -1 3 358.167 3.616 20 30 FHEDHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000158877624 938959036 /nfs/dbraw/zinc/95/90/36/938959036.db2.gz IKORABRXNDQSJR-UHFFFAOYSA-N -1 3 367.833 3.972 20 30 FHEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(F)(F)F ZINC000548837368 938983927 /nfs/dbraw/zinc/98/39/27/938983927.db2.gz YFBZSZNNAFBQOY-NSHDSACASA-N -1 3 374.306 3.586 20 30 FHEDHM Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)ccc1C#N ZINC000235888378 939013987 /nfs/dbraw/zinc/01/39/87/939013987.db2.gz SMVIMPNYEIWASA-UHFFFAOYSA-N -1 3 369.215 3.569 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1occc1C ZINC000819773176 945287165 /nfs/dbraw/zinc/28/71/65/945287165.db2.gz QTZUPXWCLWZUOZ-UHFFFAOYSA-N -1 3 350.304 3.623 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1occc1C ZINC000819773176 945287170 /nfs/dbraw/zinc/28/71/70/945287170.db2.gz QTZUPXWCLWZUOZ-UHFFFAOYSA-N -1 3 350.304 3.623 20 30 FHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(F)ncc1C ZINC000892494460 940055184 /nfs/dbraw/zinc/05/51/84/940055184.db2.gz FCFMNHGQNKUMSO-INIZCTEOSA-N -1 3 353.397 3.615 20 30 FHEDHM COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1OCCCC#N ZINC000414084296 940489367 /nfs/dbraw/zinc/48/93/67/940489367.db2.gz WVAPUQKMPMWNQI-XBXARRHUSA-N -1 3 351.406 3.921 20 30 FHEDHM O=C(CCc1ccccc1OC(F)(F)F)Nc1nnc(C(F)(F)F)[n-]1 ZINC000066629089 940754172 /nfs/dbraw/zinc/75/41/72/940754172.db2.gz ZWOQNHCVKHVQHT-UHFFFAOYSA-N -1 3 368.237 3.943 20 30 FHEDHM O=C(CCc1ccccc1OC(F)(F)F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000066629089 940754174 /nfs/dbraw/zinc/75/41/74/940754174.db2.gz ZWOQNHCVKHVQHT-UHFFFAOYSA-N -1 3 368.237 3.943 20 30 FHEDHM N#Cc1cccc([C@@H]2CN(C(=O)c3cc([O-])c4ccccc4c3)CCO2)c1 ZINC000376536685 941119890 /nfs/dbraw/zinc/11/98/90/941119890.db2.gz ZAHCCSNLQUYBIY-NRFANRHFSA-N -1 3 358.397 3.631 20 30 FHEDHM COc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc(Cl)c1[O-] ZINC000208088497 941627078 /nfs/dbraw/zinc/62/70/78/941627078.db2.gz JXWNCUGJLHSISL-WAYWQWQTSA-N -1 3 373.792 3.907 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c(Cl)c1 ZINC000183080435 942080887 /nfs/dbraw/zinc/08/08/87/942080887.db2.gz GOYGSDFZBKKZDM-UHFFFAOYSA-N -1 3 363.172 3.944 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000183456420 942273421 /nfs/dbraw/zinc/27/34/21/942273421.db2.gz BHIQLXMRCLJEBJ-QWRGUYRKSA-N -1 3 366.792 3.611 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000183456438 942273861 /nfs/dbraw/zinc/27/38/61/942273861.db2.gz BHIQLXMRCLJEBJ-GHMZBOCLSA-N -1 3 366.792 3.611 20 30 FHEDHM CC(C)[C@@H]1C[C@](NCc2ccc(C#N)c(F)c2)(C(=O)[O-])c2ccccc21 ZINC000421817214 942843948 /nfs/dbraw/zinc/84/39/48/942843948.db2.gz SJDGWOUPDMKQFC-LAUBAEHRSA-N -1 3 352.409 3.910 20 30 FHEDHM Cc1nc(-c2ccc(CC/N=C/c3c([O-])c(C)ncc3CO)s2)cs1 ZINC000016703006 943083713 /nfs/dbraw/zinc/08/37/13/943083713.db2.gz DFBHAOBPILJFGV-UFWORHAWSA-N -1 3 373.503 3.743 20 30 FHEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc([O-])c(Br)c1 ZINC000664471625 943201975 /nfs/dbraw/zinc/20/19/75/943201975.db2.gz SJQGANXIJVVRAH-BETUJISGSA-N -1 3 351.244 3.547 20 30 FHEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(OCc2cccc(OC)c2)c1C ZINC000416961425 943258211 /nfs/dbraw/zinc/25/82/11/943258211.db2.gz SDKLHMUZKDQRRO-QGZVFWFLSA-N -1 3 374.462 3.627 20 30 FHEDHM COc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(Cl)c2)c(OC)cc1[O-] ZINC000126479433 943575195 /nfs/dbraw/zinc/57/51/95/943575195.db2.gz BJOVZWOGKOINCL-GQCTYLIASA-N -1 3 363.753 3.867 20 30 FHEDHM C[C@H]([N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F)c1noc(C(F)F)n1 ZINC000644776531 943595327 /nfs/dbraw/zinc/59/53/27/943595327.db2.gz CZKRYTFFNIXJKH-BYPYZUCNSA-N -1 3 371.212 3.795 20 30 FHEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(Br)ccc1OCCC ZINC000417624198 943775598 /nfs/dbraw/zinc/77/55/98/943775598.db2.gz JPUXZMZOTNUTBG-AWEZNQCLSA-N -1 3 356.260 3.747 20 30 FHEDHM Cc1c(NCc2cc(=O)[n-]c(C3CC3)n2)ccc(Br)c1C#N ZINC000424571373 943988218 /nfs/dbraw/zinc/98/82/18/943988218.db2.gz NHCYJTPWDXNBBZ-UHFFFAOYSA-N -1 3 359.227 3.614 20 30 FHEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000330168094 944341636 /nfs/dbraw/zinc/34/16/36/944341636.db2.gz ZRGHVZJODGRHOB-LRDDRELGSA-N -1 3 350.344 3.574 20 30 FHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3nc(C)cc3C)c(F)c2)n1 ZINC000112222381 944550437 /nfs/dbraw/zinc/55/04/37/944550437.db2.gz ZZODJXOMTSCBAT-CQSZACIVSA-N -1 3 354.410 3.883 20 30 FHEDHM N#CC1(F)CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436835699 944684003 /nfs/dbraw/zinc/68/40/03/944684003.db2.gz BBWUDOPKYKKFEG-UHFFFAOYSA-N -1 3 352.409 3.645 20 30 FHEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(CC)cc2)cc1OC ZINC000426794220 944815788 /nfs/dbraw/zinc/81/57/88/944815788.db2.gz QONWWSFERDRXHT-FQEVSTJZSA-N -1 3 355.434 3.738 20 30 FHEDHM Cc1nc(-c2ccc(C/N=C/c3c([O-])c(C)ncc3CO)cc2)cs1 ZINC000015149663 944829432 /nfs/dbraw/zinc/82/94/32/944829432.db2.gz OMEYHYGSTBHEHQ-AWQFTUOYSA-N -1 3 353.447 3.639 20 30 FHEDHM Cc1nc(NC(=O)c2ccc3c(c2[O-])CCCC3)sc1SCC#N ZINC000436956594 944852853 /nfs/dbraw/zinc/85/28/53/944852853.db2.gz NORYDXDOAGNHGN-UHFFFAOYSA-N -1 3 359.476 3.904 20 30 FHEDHM Cc1nc(-c2cccs2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000125086713 945577426 /nfs/dbraw/zinc/57/74/26/945577426.db2.gz FCHPOTDBFPAAGN-NSHDSACASA-N -1 3 368.443 3.536 20 30 FHEDHM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000125098885 945589386 /nfs/dbraw/zinc/58/93/86/945589386.db2.gz MLVBLVBTZPSYFL-ZDUSSCGKSA-N -1 3 353.765 3.751 20 30 FHEDHM COc1cc(C(=O)/C=C/c2ccc(OC)c(OC(F)F)c2)ccc1[O-] ZINC000015352733 945816672 /nfs/dbraw/zinc/81/66/72/945816672.db2.gz SZPHSNYHTQKVTG-ZZXKWVIFSA-N -1 3 350.317 3.907 20 30 FHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000018917377 946287464 /nfs/dbraw/zinc/28/74/64/946287464.db2.gz DKEQLRJXFJIOFA-WIOAZZGGSA-N -1 3 353.393 3.751 20 30 FHEDHM CC(C)Oc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824333227 946661889 /nfs/dbraw/zinc/66/18/89/946661889.db2.gz GXRLDWCKVAUTKD-CSKARUKUSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824333227 946661895 /nfs/dbraw/zinc/66/18/95/946661895.db2.gz GXRLDWCKVAUTKD-CSKARUKUSA-N -1 3 352.369 3.689 20 30 FHEDHM N#Cc1ccc2c(c1)CCC[C@H]2NCc1ncc(Br)cc1[O-] ZINC000894963977 946707248 /nfs/dbraw/zinc/70/72/48/946707248.db2.gz IGJATCVQZLUDIJ-OAHLLOKOSA-N -1 3 358.239 3.589 20 30 FHEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001573328952 947415809 /nfs/dbraw/zinc/41/58/09/947415809.db2.gz FKCWBUXKQZNQRS-YOEHRIQHSA-N -1 3 368.485 3.536 20 30 FHEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001573328952 947415817 /nfs/dbraw/zinc/41/58/17/947415817.db2.gz FKCWBUXKQZNQRS-YOEHRIQHSA-N -1 3 368.485 3.536 20 30 FHEDHM C=CCCCCCN(C)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573334958 947466280 /nfs/dbraw/zinc/46/62/80/947466280.db2.gz KCVYPCIEFBVRPJ-UHFFFAOYSA-N -1 3 367.497 3.883 20 30 FHEDHM C=CCCCCCN(C)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573334958 947466288 /nfs/dbraw/zinc/46/62/88/947466288.db2.gz KCVYPCIEFBVRPJ-UHFFFAOYSA-N -1 3 367.497 3.883 20 30 FHEDHM C=CCCCN(CC)c1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001573335544 947483223 /nfs/dbraw/zinc/48/32/23/947483223.db2.gz RHYUWHJDGXENIS-UHFFFAOYSA-N -1 3 361.453 3.769 20 30 FHEDHM C=CCCCN(CC)c1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001573335544 947483231 /nfs/dbraw/zinc/48/32/31/947483231.db2.gz RHYUWHJDGXENIS-UHFFFAOYSA-N -1 3 361.453 3.769 20 30 FHEDHM C=CCCCCCCNC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001573335656 947485858 /nfs/dbraw/zinc/48/58/58/947485858.db2.gz RSMLNISRQOHDNL-SFHVURJKSA-N -1 3 368.485 3.680 20 30 FHEDHM C=CCCCCCCNC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001573335656 947485864 /nfs/dbraw/zinc/48/58/64/947485864.db2.gz RSMLNISRQOHDNL-SFHVURJKSA-N -1 3 368.485 3.680 20 30 FHEDHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(Cl)c1 ZINC000188599177 947497330 /nfs/dbraw/zinc/49/73/30/947497330.db2.gz YTJMWGUHETWHHR-UHFFFAOYSA-N -1 3 350.827 3.800 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1c(F)ccc(C)c1F ZINC001573341273 947526959 /nfs/dbraw/zinc/52/69/59/947526959.db2.gz KABNIMONKYHKET-UHFFFAOYSA-N -1 3 355.392 3.642 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1c(F)ccc(C)c1F ZINC001573341273 947526972 /nfs/dbraw/zinc/52/69/72/947526972.db2.gz KABNIMONKYHKET-UHFFFAOYSA-N -1 3 355.392 3.642 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401122 948219129 /nfs/dbraw/zinc/21/91/29/948219129.db2.gz QEMLMCAVVLMDPL-JXMROGBWSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401122 948219142 /nfs/dbraw/zinc/21/91/42/948219142.db2.gz QEMLMCAVVLMDPL-JXMROGBWSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C1C(=Cc2cccc3cnccc23)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000826475335 948375705 /nfs/dbraw/zinc/37/57/05/948375705.db2.gz CGFBEWDXBXNVCY-GDNBJRDFSA-N -1 3 353.385 3.627 20 30 FHEDHM O=C1C(=Cc2cccc3cnccc23)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000826475335 948375709 /nfs/dbraw/zinc/37/57/09/948375709.db2.gz CGFBEWDXBXNVCY-GDNBJRDFSA-N -1 3 353.385 3.627 20 30 FHEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCC#N)c(OC)c2)CC)n1 ZINC000279001853 948389100 /nfs/dbraw/zinc/38/91/00/948389100.db2.gz ROPPSJXRFBSRJD-RVDMUPIBSA-N -1 3 353.422 3.996 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000018131272 220225457 /nfs/dbraw/zinc/22/54/57/220225457.db2.gz RPWNNBUCWMKVJT-HXUWFJFHSA-N -1 3 365.477 3.700 20 30 FHEDHM CC(=O)Nc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)ccc1F ZINC000066005079 221238289 /nfs/dbraw/zinc/23/82/89/221238289.db2.gz SFZOVBXXUBUELQ-GFCCVEGCSA-N -1 3 365.286 3.688 20 30 FHEDHM N#CC(=C([O-])c1cnn(-c2ccccc2F)c1)c1ccc(C(F)(F)F)cn1 ZINC000060766614 567854166 /nfs/dbraw/zinc/85/41/66/567854166.db2.gz BAQYBWOKWKGKHB-CYBMUJFWSA-N -1 3 374.297 3.915 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C)(C)c2ccccc21 ZINC000570006449 568449349 /nfs/dbraw/zinc/44/93/49/568449349.db2.gz CULCTGOKLDQCFB-UHFFFAOYSA-N -1 3 363.461 3.923 20 30 FHEDHM Cc1c2c(nc(S[C@@H](C#N)C3CCCCC3)c1-c1nnn[n-]1)CCC2 ZINC000737220591 599011743 /nfs/dbraw/zinc/01/17/43/599011743.db2.gz ZRGIEJWVBHDQDV-HNNXBMFYSA-N -1 3 354.483 3.623 20 30 FHEDHM Cc1c2c(nc(S[C@@H](C#N)C3CCCCC3)c1-c1nn[n-]n1)CCC2 ZINC000737220591 599011745 /nfs/dbraw/zinc/01/17/45/599011745.db2.gz ZRGIEJWVBHDQDV-HNNXBMFYSA-N -1 3 354.483 3.623 20 30 FHEDHM COc1ccc(C=CC(=O)c2oc3ccccc3c2C)cc1-c1nnn[n-]1 ZINC000737080735 599153530 /nfs/dbraw/zinc/15/35/30/599153530.db2.gz HCNZUPZOJISECK-CLFYSBASSA-N -1 3 360.373 3.826 20 30 FHEDHM COc1ccc(C=CC(=O)c2oc3ccccc3c2C)cc1-c1nn[n-]n1 ZINC000737080735 599153532 /nfs/dbraw/zinc/15/35/32/599153532.db2.gz HCNZUPZOJISECK-CLFYSBASSA-N -1 3 360.373 3.826 20 30 FHEDHM CC[C@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000736334608 599191456 /nfs/dbraw/zinc/19/14/56/599191456.db2.gz VYFKAFVWLIKXQZ-CQSZACIVSA-N -1 3 360.421 3.569 20 30 FHEDHM CC[C@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000736334608 599191457 /nfs/dbraw/zinc/19/14/57/599191457.db2.gz VYFKAFVWLIKXQZ-CQSZACIVSA-N -1 3 360.421 3.569 20 30 FHEDHM CC(CCc1ccco1)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735994004 598314170 /nfs/dbraw/zinc/31/41/70/598314170.db2.gz XGLBGMZBHCOZTD-UHFFFAOYSA-N -1 3 364.331 3.899 20 30 FHEDHM CC(CCc1ccco1)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735994004 598314172 /nfs/dbraw/zinc/31/41/72/598314172.db2.gz XGLBGMZBHCOZTD-UHFFFAOYSA-N -1 3 364.331 3.899 20 30 FHEDHM Cc1ccsc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737441684 598314845 /nfs/dbraw/zinc/31/48/45/598314845.db2.gz JGGODQDWHFZNMI-UHFFFAOYSA-N -1 3 352.345 3.701 20 30 FHEDHM Cc1ccsc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737441684 598314847 /nfs/dbraw/zinc/31/48/47/598314847.db2.gz JGGODQDWHFZNMI-UHFFFAOYSA-N -1 3 352.345 3.701 20 30 FHEDHM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000735436059 598438904 /nfs/dbraw/zinc/43/89/04/598438904.db2.gz DTWUMUJMOLAZKO-OQFOIZHKSA-N -1 3 366.808 3.981 20 30 FHEDHM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000735436059 598438905 /nfs/dbraw/zinc/43/89/05/598438905.db2.gz DTWUMUJMOLAZKO-OQFOIZHKSA-N -1 3 366.808 3.981 20 30 FHEDHM Cc1cc2c(c(C)c1Cl)C(=O)C(=Cc1cccc(-c3nnn[n-]3)c1)CO2 ZINC000737285296 598512792 /nfs/dbraw/zinc/51/27/92/598512792.db2.gz QHWQOSDJJVKFIL-ZSOIEALJSA-N -1 3 366.808 3.796 20 30 FHEDHM Cc1cc2c(c(C)c1Cl)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)CO2 ZINC000737285296 598512794 /nfs/dbraw/zinc/51/27/94/598512794.db2.gz QHWQOSDJJVKFIL-ZSOIEALJSA-N -1 3 366.808 3.796 20 30 FHEDHM CC[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccc(Cl)cc1 ZINC000736392783 598569211 /nfs/dbraw/zinc/56/92/11/598569211.db2.gz SCEXNYHWXCZOMR-ZDUSSCGKSA-N -1 3 371.857 3.612 20 30 FHEDHM CC[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccc(Cl)cc1 ZINC000736392783 598569213 /nfs/dbraw/zinc/56/92/13/598569213.db2.gz SCEXNYHWXCZOMR-ZDUSSCGKSA-N -1 3 371.857 3.612 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000735420824 598781517 /nfs/dbraw/zinc/78/15/17/598781517.db2.gz UKWXYDKUVGSUQK-UHFFFAOYSA-N -1 3 373.420 3.568 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000735420824 598781519 /nfs/dbraw/zinc/78/15/19/598781519.db2.gz UKWXYDKUVGSUQK-UHFFFAOYSA-N -1 3 373.420 3.568 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000735420163 599505331 /nfs/dbraw/zinc/50/53/31/599505331.db2.gz MUQLMLBIPSMSHF-HNNXBMFYSA-N -1 3 370.501 3.779 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000735420163 599505334 /nfs/dbraw/zinc/50/53/34/599505334.db2.gz MUQLMLBIPSMSHF-HNNXBMFYSA-N -1 3 370.501 3.779 20 30 FHEDHM CC[C@@H](C#N)Oc1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000820841823 599557378 /nfs/dbraw/zinc/55/73/78/599557378.db2.gz FVKJNESYZPXXBW-ZDUSSCGKSA-N -1 3 368.828 3.813 20 30 FHEDHM CC[C@@H](C#N)Oc1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000820841823 599557381 /nfs/dbraw/zinc/55/73/81/599557381.db2.gz FVKJNESYZPXXBW-ZDUSSCGKSA-N -1 3 368.828 3.813 20 30 FHEDHM Cc1ccc(C(=O)C2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000738503435 600565206 /nfs/dbraw/zinc/56/52/06/600565206.db2.gz OALXCHLVNYSUPH-HXUWFJFHSA-N -1 3 362.429 3.587 20 30 FHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000736663199 600590070 /nfs/dbraw/zinc/59/00/70/600590070.db2.gz WROARPXTDRBWBI-BDJLRTHQSA-N -1 3 359.223 3.797 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822259137 607456371 /nfs/dbraw/zinc/45/63/71/607456371.db2.gz NMOVBFHHGUURAK-WAYWQWQTSA-N -1 3 374.322 3.812 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822259137 607456373 /nfs/dbraw/zinc/45/63/73/607456373.db2.gz NMOVBFHHGUURAK-WAYWQWQTSA-N -1 3 374.322 3.812 20 30 FHEDHM CCCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821128234 607457823 /nfs/dbraw/zinc/45/78/23/607457823.db2.gz RZPOBUZOXXMMAI-YFHOEESVSA-N -1 3 352.369 3.691 20 30 FHEDHM CCCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821128234 607457824 /nfs/dbraw/zinc/45/78/24/607457824.db2.gz RZPOBUZOXXMMAI-YFHOEESVSA-N -1 3 352.369 3.691 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504165 607460673 /nfs/dbraw/zinc/46/06/73/607460673.db2.gz MXQQHHNVVUFRGP-XFFZJAGNSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504165 607460674 /nfs/dbraw/zinc/46/06/74/607460674.db2.gz MXQQHHNVVUFRGP-XFFZJAGNSA-N -1 3 370.771 3.708 20 30 FHEDHM CSc1ccc2c(c1)CCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000821983402 607459549 /nfs/dbraw/zinc/45/95/49/607459549.db2.gz HJWCLFKXHYHKTM-JYRVWZFOSA-N -1 3 366.421 3.940 20 30 FHEDHM CSc1ccc2c(c1)CCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000821983402 607459550 /nfs/dbraw/zinc/45/95/50/607459550.db2.gz HJWCLFKXHYHKTM-JYRVWZFOSA-N -1 3 366.421 3.940 20 30 FHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000828765078 601236275 /nfs/dbraw/zinc/23/62/75/601236275.db2.gz VDUJWAYGCIJUTI-OWIUFQIYSA-N -1 3 370.449 3.738 20 30 FHEDHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000826051198 601656553 /nfs/dbraw/zinc/65/65/53/601656553.db2.gz BHKHQABBPFTYEV-SJKOYZFVSA-N -1 3 360.360 3.711 20 30 FHEDHM CN(Cc1cccc(OC(F)(F)F)c1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830851979 601910594 /nfs/dbraw/zinc/91/05/94/601910594.db2.gz KHJMEKONTSQRSQ-INIZCTEOSA-N -1 3 364.323 3.715 20 30 FHEDHM CCC[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000739306635 602670303 /nfs/dbraw/zinc/67/03/03/602670303.db2.gz YKJASWQHKDYSFV-VHSXEESVSA-N -1 3 351.815 3.562 20 30 FHEDHM N#CC(C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])c1ccc2ccccc2n1 ZINC000831066434 604215190 /nfs/dbraw/zinc/21/51/90/604215190.db2.gz WZBNQPBIWVBNPL-ZWKOTPCHSA-N -1 3 373.412 3.680 20 30 FHEDHM O=C(C=Cc1ccc(-c2ccncc2)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000826400078 607681739 /nfs/dbraw/zinc/68/17/39/607681739.db2.gz OFMPUPODONPAFR-SREVYHEPSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1ccc(-c2ccncc2)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000826400078 607681740 /nfs/dbraw/zinc/68/17/40/607681740.db2.gz OFMPUPODONPAFR-SREVYHEPSA-N -1 3 371.375 3.964 20 30 FHEDHM N#CCCCOc1cccc(CN2CCC([C@@H]3CCCN3C(=O)[O-])CC2)c1 ZINC000833965226 605494234 /nfs/dbraw/zinc/49/42/34/605494234.db2.gz FRYJZVGAMKOSHX-FQEVSTJZSA-N -1 3 371.481 3.724 20 30 FHEDHM C=CCC(CC=C)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823888542 607769369 /nfs/dbraw/zinc/76/93/69/607769369.db2.gz PRPFSGTZMGZFQJ-UHFFFAOYSA-N -1 3 366.450 3.697 20 30 FHEDHM C=CCC(CC=C)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823888542 607769370 /nfs/dbraw/zinc/76/93/70/607769370.db2.gz PRPFSGTZMGZFQJ-UHFFFAOYSA-N -1 3 366.450 3.697 20 30 FHEDHM C(=NNCc1ccc(-c2ccccc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000819718983 606205049 /nfs/dbraw/zinc/20/50/49/606205049.db2.gz WFNDQMKTOWACGO-UHFFFAOYSA-N -1 3 360.446 3.719 20 30 FHEDHM C(=NNCc1ccc(-c2ccccc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000819718983 606205051 /nfs/dbraw/zinc/20/50/51/606205051.db2.gz WFNDQMKTOWACGO-UHFFFAOYSA-N -1 3 360.446 3.719 20 30 FHEDHM C=CCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819734313 606269448 /nfs/dbraw/zinc/26/94/48/606269448.db2.gz LNGNIVMLALWNRW-UHFFFAOYSA-N -1 3 363.421 3.741 20 30 FHEDHM C=CCCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819734313 606269451 /nfs/dbraw/zinc/26/94/51/606269451.db2.gz LNGNIVMLALWNRW-UHFFFAOYSA-N -1 3 363.421 3.741 20 30 FHEDHM CC(C)COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820103369 606303274 /nfs/dbraw/zinc/30/32/74/606303274.db2.gz WVXHVLQFLFWTAO-BQYQJAHWSA-N -1 3 354.435 3.859 20 30 FHEDHM CC(C)COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820103369 606303275 /nfs/dbraw/zinc/30/32/75/606303275.db2.gz WVXHVLQFLFWTAO-BQYQJAHWSA-N -1 3 354.435 3.859 20 30 FHEDHM N#Cc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000822825616 606599569 /nfs/dbraw/zinc/59/95/69/606599569.db2.gz IUEYSSMZHVNTBE-UHFFFAOYSA-N -1 3 373.388 3.773 20 30 FHEDHM N#Cc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000822825616 606599570 /nfs/dbraw/zinc/59/95/70/606599570.db2.gz IUEYSSMZHVNTBE-UHFFFAOYSA-N -1 3 373.388 3.773 20 30 FHEDHM Cc1nn(-c2ccccc2)c(CSc2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC000822487078 607015486 /nfs/dbraw/zinc/01/54/86/607015486.db2.gz ZZIALEZUJZMSFN-UHFFFAOYSA-N -1 3 373.445 3.525 20 30 FHEDHM Cc1cc(Cl)c2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CCO2 ZINC000822201139 607122268 /nfs/dbraw/zinc/12/22/68/607122268.db2.gz SCXWFUXCKWPJII-NTMALXAHSA-N -1 3 372.837 3.939 20 30 FHEDHM Cc1cc(Cl)cc2c1OCCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000822202370 607172345 /nfs/dbraw/zinc/17/23/45/607172345.db2.gz XBMYDCWKXBCNRS-BJMVGYQFSA-N -1 3 372.837 3.939 20 30 FHEDHM Cc1cc(Cl)cc2c1OCCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000822202370 607172346 /nfs/dbraw/zinc/17/23/46/607172346.db2.gz XBMYDCWKXBCNRS-BJMVGYQFSA-N -1 3 372.837 3.939 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1(C)CCCCC1 ZINC000823909712 607792602 /nfs/dbraw/zinc/79/26/02/607792602.db2.gz OHOWOAMYGWHHPF-UHFFFAOYSA-N -1 3 353.470 3.742 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC1(C)CCCCC1 ZINC000823909712 607792603 /nfs/dbraw/zinc/79/26/03/607792603.db2.gz OHOWOAMYGWHHPF-UHFFFAOYSA-N -1 3 353.470 3.742 20 30 FHEDHM COc1cc(Cl)c(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826179998 607816302 /nfs/dbraw/zinc/81/63/02/607816302.db2.gz OLVOGOFXLKFODE-UHFFFAOYSA-N -1 3 363.208 3.628 20 30 FHEDHM O=C1c2cc(Cl)ccc2SCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476909 607884565 /nfs/dbraw/zinc/88/45/65/607884565.db2.gz RNEZEWGHDICBDQ-YRNVUSSQSA-N -1 3 354.822 3.892 20 30 FHEDHM O=C1c2cc(Cl)ccc2SCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476909 607884566 /nfs/dbraw/zinc/88/45/66/607884566.db2.gz RNEZEWGHDICBDQ-YRNVUSSQSA-N -1 3 354.822 3.892 20 30 FHEDHM C=C[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000823882924 607969378 /nfs/dbraw/zinc/96/93/78/607969378.db2.gz GIESMUCRGCXOMT-QGZVFWFLSA-N -1 3 373.460 3.718 20 30 FHEDHM C=C[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000823882924 607969379 /nfs/dbraw/zinc/96/93/79/607969379.db2.gz GIESMUCRGCXOMT-QGZVFWFLSA-N -1 3 373.460 3.718 20 30 FHEDHM C=C[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OCC)c1ccccc1 ZINC000823883682 607985896 /nfs/dbraw/zinc/98/58/96/607985896.db2.gz XKHICOACRZVRDT-CQSZACIVSA-N -1 3 364.405 3.531 20 30 FHEDHM C=C[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OCC)c1ccccc1 ZINC000823883682 607985897 /nfs/dbraw/zinc/98/58/97/607985897.db2.gz XKHICOACRZVRDT-CQSZACIVSA-N -1 3 364.405 3.531 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1sc(CC)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823883630 608003481 /nfs/dbraw/zinc/00/34/81/608003481.db2.gz VYTPRVXMFMYFTF-LBPRGKRZSA-N -1 3 353.451 3.789 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1sc(CC)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823883630 608003482 /nfs/dbraw/zinc/00/34/82/608003482.db2.gz VYTPRVXMFMYFTF-LBPRGKRZSA-N -1 3 353.451 3.789 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826292062 608877151 /nfs/dbraw/zinc/87/71/51/608877151.db2.gz GRBUODDMKLKABF-GQCTYLIASA-N -1 3 374.322 3.812 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826292062 608877155 /nfs/dbraw/zinc/87/71/55/608877155.db2.gz GRBUODDMKLKABF-GQCTYLIASA-N -1 3 374.322 3.812 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475843 608881541 /nfs/dbraw/zinc/88/15/41/608881541.db2.gz SOHDWRKLCKRXRB-FLIBITNWSA-N -1 3 370.771 3.708 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475843 608881542 /nfs/dbraw/zinc/88/15/42/608881542.db2.gz SOHDWRKLCKRXRB-FLIBITNWSA-N -1 3 370.771 3.708 20 30 FHEDHM COc1ccc2oc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)cc2c1 ZINC000826213559 609269944 /nfs/dbraw/zinc/26/99/44/609269944.db2.gz BKWRMBGFQSVYAC-UTCJRWHESA-N -1 3 364.336 3.657 20 30 FHEDHM COc1ccc2oc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)cc2c1 ZINC000826213559 609269947 /nfs/dbraw/zinc/26/99/47/609269947.db2.gz BKWRMBGFQSVYAC-UTCJRWHESA-N -1 3 364.336 3.657 20 30 FHEDHM O=C(C=Cc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399860 609270722 /nfs/dbraw/zinc/27/07/22/609270722.db2.gz IFOLGFSZDWFCLA-FPYGCLRLSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399860 609270724 /nfs/dbraw/zinc/27/07/24/609270724.db2.gz IFOLGFSZDWFCLA-FPYGCLRLSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400531 609272496 /nfs/dbraw/zinc/27/24/96/609272496.db2.gz AWFWBBKJDHRIPW-FPYGCLRLSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400531 609272498 /nfs/dbraw/zinc/27/24/98/609272498.db2.gz AWFWBBKJDHRIPW-FPYGCLRLSA-N -1 3 360.295 3.503 20 30 FHEDHM C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824530292 609343195 /nfs/dbraw/zinc/34/31/95/609343195.db2.gz KONCDTYBGZIXEV-SCLBCKFNSA-N -1 3 350.401 3.701 20 30 FHEDHM C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824530292 609343196 /nfs/dbraw/zinc/34/31/96/609343196.db2.gz KONCDTYBGZIXEV-SCLBCKFNSA-N -1 3 350.401 3.701 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)=Cc1ccc(C)cc1 ZINC000823910232 609449655 /nfs/dbraw/zinc/44/96/55/609449655.db2.gz ZYVGIRQUNHVFIQ-LGMDPLHJSA-N -1 3 373.460 3.793 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)=Cc1ccc(C)cc1 ZINC000823910232 609449657 /nfs/dbraw/zinc/44/96/57/609449657.db2.gz ZYVGIRQUNHVFIQ-LGMDPLHJSA-N -1 3 373.460 3.793 20 30 FHEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(N)cc1Cl ZINC000823958322 609472506 /nfs/dbraw/zinc/47/25/06/609472506.db2.gz JBJYPIYICRTEEH-UHFFFAOYSA-N -1 3 362.224 3.592 20 30 FHEDHM Clc1cc(NN=C2CCCOc3ccccc32)ccc1-c1nn[n-]n1 ZINC000826351425 609474209 /nfs/dbraw/zinc/47/42/09/609474209.db2.gz MESVDJQUEHVESX-UHFFFAOYSA-N -1 3 354.801 3.509 20 30 FHEDHM Fc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c2ncccc2c1 ZINC000826372489 609474809 /nfs/dbraw/zinc/47/48/09/609474809.db2.gz YYAWUYGXHHKLJU-UHFFFAOYSA-N -1 3 367.775 3.653 20 30 FHEDHM Fc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ncccc2c1 ZINC000826372489 609474811 /nfs/dbraw/zinc/47/48/11/609474811.db2.gz YYAWUYGXHHKLJU-UHFFFAOYSA-N -1 3 367.775 3.653 20 30 FHEDHM CC(C)c1ccc([C@@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC000824347459 609483085 /nfs/dbraw/zinc/48/30/85/609483085.db2.gz BAPVELFHYHHEKP-LLVKDONJSA-N -1 3 365.466 3.692 20 30 FHEDHM CC(C)c1ccc([C@@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1 ZINC000824347459 609483087 /nfs/dbraw/zinc/48/30/87/609483087.db2.gz BAPVELFHYHHEKP-LLVKDONJSA-N -1 3 365.466 3.692 20 30 FHEDHM N#Cc1ccc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826384809 609487289 /nfs/dbraw/zinc/48/72/89/609487289.db2.gz KNEVJEBHUULFBC-UHFFFAOYSA-N -1 3 372.388 3.522 20 30 FHEDHM N#Cc1ccc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826384809 609487291 /nfs/dbraw/zinc/48/72/91/609487291.db2.gz KNEVJEBHUULFBC-UHFFFAOYSA-N -1 3 372.388 3.522 20 30 FHEDHM CC[C@@H](C)c1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000120429329 928368158 /nfs/dbraw/zinc/36/81/58/928368158.db2.gz NMXMDNHDQWZIKB-CYBMUJFWSA-N -1 3 352.434 3.915 20 30 FHEDHM COc1cc(C(=O)/C=C\c2cn3cc(Cl)ccc3n2)c(OC)cc1[O-] ZINC000254952717 928488859 /nfs/dbraw/zinc/48/88/59/928488859.db2.gz BKDPYFWJLYWYJG-PLNGDYQASA-N -1 3 358.781 3.607 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc(C(C)C)cc1 ZINC000155715447 930568106 /nfs/dbraw/zinc/56/81/06/930568106.db2.gz MDEWDCQEUWAVOE-UHFFFAOYSA-N -1 3 351.450 3.582 20 30 FHEDHM N#Cc1ccc(Nc2ccc(F)c([O-])c2)c(I)c1 ZINC001211218065 930877879 /nfs/dbraw/zinc/87/78/79/930877879.db2.gz KRORLRHAVYZDGE-UHFFFAOYSA-N -1 3 354.122 3.751 20 30 FHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(-n3cncn3)cc2)s1 ZINC000430589942 931973129 /nfs/dbraw/zinc/97/31/29/931973129.db2.gz JMGGAPDTUPHFAX-CQSZACIVSA-N -1 3 351.435 3.511 20 30 FHEDHM N#CC(=C([O-])C=Cc1cncc(F)c1)c1nc2ccccc2n1C(F)F ZINC000255394209 933123727 /nfs/dbraw/zinc/12/37/27/933123727.db2.gz SYIPCQACFTUPFV-CFHLNLSMSA-N -1 3 356.307 3.855 20 30 FHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1Br ZINC000135379875 933357687 /nfs/dbraw/zinc/35/76/87/933357687.db2.gz PIVSNTVCORBXNL-UHFFFAOYSA-N -1 3 369.215 3.569 20 30 FHEDHM C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000151667881 934807733 /nfs/dbraw/zinc/80/77/33/934807733.db2.gz XNLLYTDNWLIQMX-AWEZNQCLSA-N -1 3 367.478 3.712 20 30 FHEDHM Cc1cc(Cl)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1Cl ZINC000320327287 934828233 /nfs/dbraw/zinc/82/82/33/934828233.db2.gz HSRZSPPVPRVCHT-UHFFFAOYSA-N -1 3 356.234 3.678 20 30 FHEDHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)n1 ZINC000516636732 945076779 /nfs/dbraw/zinc/07/67/79/945076779.db2.gz PIUDTBMKPDYBDX-UHFFFAOYSA-N -1 3 372.837 3.507 20 30 FHEDHM Cc1c(N=Cc2cc(Cl)ccc2[O-])cccc1C(=O)N1CCOCC1 ZINC000255551781 936154819 /nfs/dbraw/zinc/15/48/19/936154819.db2.gz NYJILKVZDKGGHL-UHFFFAOYSA-N -1 3 358.825 3.577 20 30 FHEDHM COc1cc(C(=O)/C=C\c2ccc(N(C)C(C)C)nc2)c(OC)cc1[O-] ZINC000588580322 938334275 /nfs/dbraw/zinc/33/42/75/938334275.db2.gz ZMXXXNBEFDXIGO-VURMDHGXSA-N -1 3 356.422 3.545 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cnc(C(C)(C)C)s1 ZINC000278463301 938453535 /nfs/dbraw/zinc/45/35/35/938453535.db2.gz MUKFKQIBUVMSRO-UHFFFAOYSA-N -1 3 373.478 3.706 20 30 FHEDHM Cc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1NC(=O)c1ccco1 ZINC000255629498 939018176 /nfs/dbraw/zinc/01/81/76/939018176.db2.gz WSWXCOHBIZNSEH-UHFFFAOYSA-N -1 3 352.346 3.708 20 30 FHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(C(C)=O)c2)cc1 ZINC000892490045 940026609 /nfs/dbraw/zinc/02/66/09/940026609.db2.gz OPFPGLJQMZJUAS-IBGZPJMESA-N -1 3 363.417 3.588 20 30 FHEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)c1 ZINC000177599839 940302986 /nfs/dbraw/zinc/30/29/86/940302986.db2.gz HKHYVDASAHEXJP-HNNXBMFYSA-N -1 3 350.399 3.871 20 30 FHEDHM Cc1cc(C(C#N)=C([O-])c2ccnc(OCc3ccccc3)c2)nc(C)n1 ZINC000066506485 940509541 /nfs/dbraw/zinc/50/95/41/940509541.db2.gz IJCOJEWAXGJIJM-SFHVURJKSA-N -1 3 358.401 3.558 20 30 FHEDHM CCc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c2ccccc2n1 ZINC000180474844 941025754 /nfs/dbraw/zinc/02/57/54/941025754.db2.gz LNRMWEYORBRJHO-UHFFFAOYSA-N -1 3 374.444 3.545 20 30 FHEDHM C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000187818353 941149370 /nfs/dbraw/zinc/14/93/70/941149370.db2.gz YOIQWWWXNXFQMA-UHFFFAOYSA-N -1 3 370.424 3.638 20 30 FHEDHM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000473522606 941752562 /nfs/dbraw/zinc/75/25/62/941752562.db2.gz SUUXCMDSDFYUJU-INIZCTEOSA-N -1 3 355.401 3.856 20 30 FHEDHM Cc1nc(-c2ccc(NC(=O)N(C)Cc3cccc(C#N)c3)cc2)cc(=O)[n-]1 ZINC000509919538 941805412 /nfs/dbraw/zinc/80/54/12/941805412.db2.gz MJZDNKRKSUGSTB-UHFFFAOYSA-N -1 3 373.416 3.693 20 30 FHEDHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)cc2)cc(=O)[n-]1 ZINC000505357849 942499787 /nfs/dbraw/zinc/49/97/87/942499787.db2.gz QCBBXWRTBYTGHD-CYBMUJFWSA-N -1 3 373.416 3.912 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000894295448 942579376 /nfs/dbraw/zinc/57/93/76/942579376.db2.gz CSPMLJOCIPBYQG-SPLOXXLWSA-N -1 3 363.461 3.818 20 30 FHEDHM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000183128834 942831958 /nfs/dbraw/zinc/83/19/58/942831958.db2.gz HEWZIEPPANCKTJ-AWEZNQCLSA-N -1 3 354.431 3.706 20 30 FHEDHM Cc1sc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nc1C(C)C ZINC000503468183 943202751 /nfs/dbraw/zinc/20/27/51/943202751.db2.gz JTLFYFNYVXFQGC-UHFFFAOYSA-N -1 3 369.899 3.579 20 30 FHEDHM N#Cc1csc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000417577764 943721742 /nfs/dbraw/zinc/72/17/42/943721742.db2.gz KCLJMSXFBRMCLU-CQSZACIVSA-N -1 3 354.353 3.944 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1(C)C[C@H]1c1ccccc1 ZINC000517254645 944149772 /nfs/dbraw/zinc/14/97/72/944149772.db2.gz QJYWMTANIVXOCY-UGKGYDQZSA-N -1 3 363.461 3.518 20 30 FHEDHM COc1cc(C=CC(=O)c2c[nH]c3ncccc23)cc(Br)c1[O-] ZINC000123721524 944413644 /nfs/dbraw/zinc/41/36/44/944413644.db2.gz WGYYFLSXVXBHQD-SNAWJCMRSA-N -1 3 373.206 3.936 20 30 FHEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(OCCCC)cc1[O-] ZINC000436624884 944466328 /nfs/dbraw/zinc/46/63/28/944466328.db2.gz CVYBVHILZKQFNA-UHFFFAOYSA-N -1 3 373.449 3.875 20 30 FHEDHM CSc1cccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000280996317 945482693 /nfs/dbraw/zinc/48/26/93/945482693.db2.gz KBWDDTVRQYUXKH-UHFFFAOYSA-N -1 3 356.447 3.674 20 30 FHEDHM CC(C)Oc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000824333011 946663069 /nfs/dbraw/zinc/66/30/69/946663069.db2.gz CLBQGFGBASTFAV-TWGQIWQCSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000824333011 946663073 /nfs/dbraw/zinc/66/30/73/946663073.db2.gz CLBQGFGBASTFAV-TWGQIWQCSA-N -1 3 352.369 3.689 20 30 FHEDHM C=C(C)CCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001573294234 946982715 /nfs/dbraw/zinc/98/27/15/946982715.db2.gz ZETAAJNSDUSACT-UHFFFAOYSA-N -1 3 363.421 3.741 20 30 FHEDHM C=C(C)CCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001573294234 946982722 /nfs/dbraw/zinc/98/27/22/946982722.db2.gz ZETAAJNSDUSACT-UHFFFAOYSA-N -1 3 363.421 3.741 20 30 FHEDHM C=C(CNc1ccc(-c2nnn[n-]2)c(Br)c1F)c1ccccc1 ZINC001573295038 947004593 /nfs/dbraw/zinc/00/45/93/947004593.db2.gz NCLYBDBFGQWPIK-UHFFFAOYSA-N -1 3 374.217 3.894 20 30 FHEDHM C=C(CNc1ccc(-c2nn[n-]n2)c(Br)c1F)c1ccccc1 ZINC001573295038 947004607 /nfs/dbraw/zinc/00/46/07/947004607.db2.gz NCLYBDBFGQWPIK-UHFFFAOYSA-N -1 3 374.217 3.894 20 30 FHEDHM C=C1CCC(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)CC1 ZINC001573295295 947013294 /nfs/dbraw/zinc/01/32/94/947013294.db2.gz CTJPCHMLCZRCNV-UHFFFAOYSA-N -1 3 353.470 3.598 20 30 FHEDHM C=C1CCC(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)CC1 ZINC001573295295 947013304 /nfs/dbraw/zinc/01/33/04/947013304.db2.gz CTJPCHMLCZRCNV-UHFFFAOYSA-N -1 3 353.470 3.598 20 30 FHEDHM C=C1CCC(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CC1 ZINC001573295290 947015566 /nfs/dbraw/zinc/01/55/66/947015566.db2.gz CSQSTKREAZXNPP-UHFFFAOYSA-N -1 3 368.485 3.533 20 30 FHEDHM C=C1CCC(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)CC1 ZINC001573295290 947015574 /nfs/dbraw/zinc/01/55/74/947015574.db2.gz CSQSTKREAZXNPP-UHFFFAOYSA-N -1 3 368.485 3.533 20 30 FHEDHM N#CC(=C([O-])c1cnn(-c2ccc(Br)cc2)c1)c1ccccn1 ZINC000049458278 947074117 /nfs/dbraw/zinc/07/41/17/947074117.db2.gz NOGAELOBUUYTBA-HNNXBMFYSA-N -1 3 367.206 3.520 20 30 FHEDHM Cc1nn(C)c2nc(-c3cccs3)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000049456808 947074727 /nfs/dbraw/zinc/07/47/27/947074727.db2.gz RVDCUPUFEBSXCX-CQSZACIVSA-N -1 3 373.441 3.890 20 30 FHEDHM Cc1ccc([O-])c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)n1 ZINC000544324823 947399987 /nfs/dbraw/zinc/39/99/87/947399987.db2.gz HFIFPIMOXVWHKX-UHFFFAOYSA-N -1 3 359.385 3.799 20 30 FHEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000432303759 947578864 /nfs/dbraw/zinc/57/88/64/947578864.db2.gz YDCKQXWYANQOHO-UHFFFAOYSA-N -1 3 367.492 3.569 20 30 FHEDHM Cc1ccnc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1C#N ZINC000826314381 947916896 /nfs/dbraw/zinc/91/68/96/947916896.db2.gz UBJYLVXGCXNUCO-UHFFFAOYSA-N -1 3 373.445 3.782 20 30 FHEDHM O=C(C=Cc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400354 948217803 /nfs/dbraw/zinc/21/78/03/948217803.db2.gz WONJWBPTIRIECY-FPYGCLRLSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400354 948217810 /nfs/dbraw/zinc/21/78/10/948217810.db2.gz WONJWBPTIRIECY-FPYGCLRLSA-N -1 3 373.185 3.664 20 30 FHEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(Br)c1OC(F)F ZINC000417625498 948357791 /nfs/dbraw/zinc/35/77/91/948357791.db2.gz MPNDEBBTVPIONM-SNVBAGLBSA-N -1 3 364.186 3.560 20 30 FHEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000184764645 948386726 /nfs/dbraw/zinc/38/67/26/948386726.db2.gz ATMRBIMBTSXIAR-UHFFFAOYSA-N -1 3 357.218 3.674 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000019677713 220285803 /nfs/dbraw/zinc/28/58/03/220285803.db2.gz HCMUNRFCQOKSRM-UHFFFAOYSA-N -1 3 364.232 3.742 20 30 FHEDHM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)c2)cc1 ZINC000150858142 568315500 /nfs/dbraw/zinc/31/55/00/568315500.db2.gz CJIKUNPDZXFMRV-IBGZPJMESA-N -1 3 372.446 3.661 20 30 FHEDHM CCCCC1CCC(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC1 ZINC000736439010 598926127 /nfs/dbraw/zinc/92/61/27/598926127.db2.gz QQKBDPCSABDDRB-UHFFFAOYSA-N -1 3 352.442 3.673 20 30 FHEDHM CCCCC1CCC(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1 ZINC000736439010 598926128 /nfs/dbraw/zinc/92/61/28/598926128.db2.gz QQKBDPCSABDDRB-UHFFFAOYSA-N -1 3 352.442 3.673 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H](CC)C1 ZINC000735418163 599023015 /nfs/dbraw/zinc/02/30/15/599023015.db2.gz CQTGIXCNWBAHIQ-CRAIPNDOSA-N -1 3 368.485 3.533 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H](CC)C1 ZINC000735418163 599023017 /nfs/dbraw/zinc/02/30/17/599023017.db2.gz CQTGIXCNWBAHIQ-CRAIPNDOSA-N -1 3 368.485 3.533 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000735418881 599071267 /nfs/dbraw/zinc/07/12/67/599071267.db2.gz KZOXFKPGYDYMMB-RTBURBONSA-N -1 3 365.481 3.598 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000735418881 599071269 /nfs/dbraw/zinc/07/12/69/599071269.db2.gz KZOXFKPGYDYMMB-RTBURBONSA-N -1 3 365.481 3.598 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000735418880 599071973 /nfs/dbraw/zinc/07/19/73/599071973.db2.gz KZOXFKPGYDYMMB-RBUKOAKNSA-N -1 3 365.481 3.598 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000735418880 599071976 /nfs/dbraw/zinc/07/19/76/599071976.db2.gz KZOXFKPGYDYMMB-RBUKOAKNSA-N -1 3 365.481 3.598 20 30 FHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000823498419 599114485 /nfs/dbraw/zinc/11/44/85/599114485.db2.gz OZJKBFUUNWASIS-YLTNESKFSA-N -1 3 373.372 3.544 20 30 FHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000823498419 599114488 /nfs/dbraw/zinc/11/44/88/599114488.db2.gz OZJKBFUUNWASIS-YLTNESKFSA-N -1 3 373.372 3.544 20 30 FHEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N(C)Cc3cccc(C#N)c3)c2c1 ZINC000737248654 599270765 /nfs/dbraw/zinc/27/07/65/599270765.db2.gz IXRDCBGWMADOJW-UHFFFAOYSA-N -1 3 369.432 3.540 20 30 FHEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N(C)Cc3cccc(C#N)c3)c2c1 ZINC000737248654 599270766 /nfs/dbraw/zinc/27/07/66/599270766.db2.gz IXRDCBGWMADOJW-UHFFFAOYSA-N -1 3 369.432 3.540 20 30 FHEDHM CC(Cc1cccs1)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736066793 598276692 /nfs/dbraw/zinc/27/66/92/598276692.db2.gz QKRRPUOYHVFOJW-UHFFFAOYSA-N -1 3 366.372 3.978 20 30 FHEDHM CC(Cc1cccs1)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736066793 598276693 /nfs/dbraw/zinc/27/66/93/598276693.db2.gz QKRRPUOYHVFOJW-UHFFFAOYSA-N -1 3 366.372 3.978 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000735451191 598313352 /nfs/dbraw/zinc/31/33/52/598313352.db2.gz SGRYNTFCFIVYAX-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000735451191 598313354 /nfs/dbraw/zinc/31/33/54/598313354.db2.gz SGRYNTFCFIVYAX-UHFFFAOYSA-N -1 3 364.306 3.861 20 30 FHEDHM Cc1cc(F)ccc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737265212 598313950 /nfs/dbraw/zinc/31/39/50/598313950.db2.gz YVTZZNZITWUSFC-UHFFFAOYSA-N -1 3 364.306 3.779 20 30 FHEDHM Cc1cc(F)ccc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737265212 598313951 /nfs/dbraw/zinc/31/39/51/598313951.db2.gz YVTZZNZITWUSFC-UHFFFAOYSA-N -1 3 364.306 3.779 20 30 FHEDHM FC(F)(F)c1cc(NN=C2CCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737634051 598314523 /nfs/dbraw/zinc/31/45/23/598314523.db2.gz XQJALUHYRLROIH-UHFFFAOYSA-N -1 3 358.327 3.648 20 30 FHEDHM FC(F)(F)c1cc(NN=C2CCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737634051 598314524 /nfs/dbraw/zinc/31/45/24/598314524.db2.gz XQJALUHYRLROIH-UHFFFAOYSA-N -1 3 358.327 3.648 20 30 FHEDHM CC1(C)CCc2cc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)ccc2O1 ZINC000736210950 598584726 /nfs/dbraw/zinc/58/47/26/598584726.db2.gz JNCKSTGPAAFVEH-VURMDHGXSA-N -1 3 360.417 3.866 20 30 FHEDHM CC1(C)CCc2cc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)ccc2O1 ZINC000736210950 598584728 /nfs/dbraw/zinc/58/47/28/598584728.db2.gz JNCKSTGPAAFVEH-VURMDHGXSA-N -1 3 360.417 3.866 20 30 FHEDHM O=C1c2cccc(Cl)c2SCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738291666 598641180 /nfs/dbraw/zinc/64/11/80/598641180.db2.gz VWIOMPYYWPVCMZ-XYOKQWHBSA-N -1 3 354.822 3.892 20 30 FHEDHM O=C1c2cccc(Cl)c2SCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738291666 598641182 /nfs/dbraw/zinc/64/11/82/598641182.db2.gz VWIOMPYYWPVCMZ-XYOKQWHBSA-N -1 3 354.822 3.892 20 30 FHEDHM O=C(C=Cc1cc(C(F)(F)F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000737797244 598820831 /nfs/dbraw/zinc/82/08/31/598820831.db2.gz QQBITLIFHPUNGD-QPJJXVBHSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1cc(C(F)(F)F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000737797244 598820833 /nfs/dbraw/zinc/82/08/33/598820833.db2.gz QQBITLIFHPUNGD-QPJJXVBHSA-N -1 3 362.286 3.921 20 30 FHEDHM CCC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1OC ZINC000736304250 599457157 /nfs/dbraw/zinc/45/71/57/599457157.db2.gz MMXLMRVGJVBCMQ-UHFFFAOYSA-N -1 3 356.817 3.755 20 30 FHEDHM CCC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1OC ZINC000736304250 599457159 /nfs/dbraw/zinc/45/71/59/599457159.db2.gz MMXLMRVGJVBCMQ-UHFFFAOYSA-N -1 3 356.817 3.755 20 30 FHEDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000736139389 599520205 /nfs/dbraw/zinc/52/02/05/599520205.db2.gz QHEUUQYYNZNJHY-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@H](Nc1ccc(C#N)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136826 599520242 /nfs/dbraw/zinc/52/02/42/599520242.db2.gz HSLDCRPYOGUPAM-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@H](Nc1ccc(C#N)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136826 599520244 /nfs/dbraw/zinc/52/02/44/599520244.db2.gz HSLDCRPYOGUPAM-JTQLQIEISA-N -1 3 358.327 3.930 20 30 FHEDHM CC(C)Oc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820155266 607457826 /nfs/dbraw/zinc/45/78/26/607457826.db2.gz MWBBWBOHMLIFBQ-YFHOEESVSA-N -1 3 352.369 3.689 20 30 FHEDHM CC(C)Oc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820155266 607457827 /nfs/dbraw/zinc/45/78/27/607457827.db2.gz MWBBWBOHMLIFBQ-YFHOEESVSA-N -1 3 352.369 3.689 20 30 FHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CCO2 ZINC000822212751 607460164 /nfs/dbraw/zinc/46/01/64/607460164.db2.gz GGVMRBXHGLXHOU-NTEUORMPSA-N -1 3 364.380 3.671 20 30 FHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CCO2 ZINC000822212751 607460165 /nfs/dbraw/zinc/46/01/65/607460165.db2.gz GGVMRBXHGLXHOU-NTEUORMPSA-N -1 3 364.380 3.671 20 30 FHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000828765076 601236147 /nfs/dbraw/zinc/23/61/47/601236147.db2.gz VDUJWAYGCIJUTI-JXSMBQFASA-N -1 3 370.449 3.738 20 30 FHEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000827717415 601297253 /nfs/dbraw/zinc/29/72/53/601297253.db2.gz HLMFKGJVABXXEX-ZBEGNZNMSA-N -1 3 359.223 3.797 20 30 FHEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC000827710203 601560346 /nfs/dbraw/zinc/56/03/46/601560346.db2.gz OCPZHXXGEZALLN-BZNIZROVSA-N -1 3 364.323 3.933 20 30 FHEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC000827717854 601560429 /nfs/dbraw/zinc/56/04/29/601560429.db2.gz LSZQIFKPQJGXAN-ZBEGNZNMSA-N -1 3 364.323 3.933 20 30 FHEDHM N#CCC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000826381451 607678931 /nfs/dbraw/zinc/67/89/31/607678931.db2.gz MGILADAAFWLCKE-ZDUSSCGKSA-N -1 3 373.342 3.737 20 30 FHEDHM N#CCC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000826381451 607678933 /nfs/dbraw/zinc/67/89/33/607678933.db2.gz MGILADAAFWLCKE-ZDUSSCGKSA-N -1 3 373.342 3.737 20 30 FHEDHM N#Cc1ccc(Oc2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000822833589 606242709 /nfs/dbraw/zinc/24/27/09/606242709.db2.gz SGHMSDGJIABTJN-UHFFFAOYSA-N -1 3 356.345 3.718 20 30 FHEDHM N#Cc1ccc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000822833589 606242711 /nfs/dbraw/zinc/24/27/11/606242711.db2.gz SGHMSDGJIABTJN-UHFFFAOYSA-N -1 3 356.345 3.718 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1C(F)(F)F ZINC000822923538 606302810 /nfs/dbraw/zinc/30/28/10/606302810.db2.gz SRFCKTVVWYRNRW-AATRIKPKSA-N -1 3 350.325 3.843 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1C(F)(F)F ZINC000822923538 606302812 /nfs/dbraw/zinc/30/28/12/606302812.db2.gz SRFCKTVVWYRNRW-AATRIKPKSA-N -1 3 350.325 3.843 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1nc(-c2ccccc2)cs1 ZINC000822923032 606306224 /nfs/dbraw/zinc/30/62/24/606306224.db2.gz MZMMIICXMMGGAW-VOTSOKGWSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1nc(-c2ccccc2)cs1 ZINC000822923032 606306226 /nfs/dbraw/zinc/30/62/26/606306226.db2.gz MZMMIICXMMGGAW-VOTSOKGWSA-N -1 3 365.443 3.948 20 30 FHEDHM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nnn[n-]4)s3)C2=O)s1 ZINC000822825736 606387706 /nfs/dbraw/zinc/38/77/06/606387706.db2.gz NOKBLSCIKLYRHX-AMMQDNIMSA-N -1 3 365.443 3.691 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Br)s1 ZINC000822922996 606387881 /nfs/dbraw/zinc/38/78/81/606387881.db2.gz MACVMCRXIVKZCD-HNQUOIGGSA-N -1 3 367.253 3.648 20 30 FHEDHM CCOc1cccc2cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)oc21 ZINC000821431304 606388640 /nfs/dbraw/zinc/38/86/40/606388640.db2.gz OZPAUYHLIFSPRV-SOFGYWHQSA-N -1 3 366.402 3.969 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000820218774 606458316 /nfs/dbraw/zinc/45/83/16/606458316.db2.gz AKOGJYGRXMQQMU-CYBMUJFWSA-N -1 3 350.451 3.873 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000820218774 606458318 /nfs/dbraw/zinc/45/83/18/606458318.db2.gz AKOGJYGRXMQQMU-CYBMUJFWSA-N -1 3 350.451 3.873 20 30 FHEDHM N#Cc1ccc(CSc2ccc(-c3nnn[n-]3)cc2)c(OC(F)F)c1 ZINC000822825732 606591242 /nfs/dbraw/zinc/59/12/42/606591242.db2.gz NIPMDJXAYHOCCD-UHFFFAOYSA-N -1 3 359.361 3.632 20 30 FHEDHM N#Cc1ccc(CSc2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)c1 ZINC000822825732 606591243 /nfs/dbraw/zinc/59/12/43/606591243.db2.gz NIPMDJXAYHOCCD-UHFFFAOYSA-N -1 3 359.361 3.632 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(CC)CCCC1 ZINC000819743479 606774715 /nfs/dbraw/zinc/77/47/15/606774715.db2.gz KJIFRAGFJQEVRB-UHFFFAOYSA-N -1 3 368.485 3.535 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(CC)CCCC1 ZINC000819743479 606774717 /nfs/dbraw/zinc/77/47/17/606774717.db2.gz KJIFRAGFJQEVRB-UHFFFAOYSA-N -1 3 368.485 3.535 20 30 FHEDHM Cc1c(C(=O)C=Cc2cccc(Cl)c2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015331 607111499 /nfs/dbraw/zinc/11/14/99/607111499.db2.gz INXWUXNABLAJNC-BQYQJAHWSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1c(C(=O)C=Cc2cccc(Cl)c2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015331 607111501 /nfs/dbraw/zinc/11/15/01/607111501.db2.gz INXWUXNABLAJNC-BQYQJAHWSA-N -1 3 371.803 3.611 20 30 FHEDHM Cc1c(C#N)cccc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822015490 607252037 /nfs/dbraw/zinc/25/20/37/607252037.db2.gz KSCMCHCSQSCJHF-UHFFFAOYSA-N -1 3 369.841 3.509 20 30 FHEDHM Cc1c(C#N)cccc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822015490 607252038 /nfs/dbraw/zinc/25/20/38/607252038.db2.gz KSCMCHCSQSCJHF-UHFFFAOYSA-N -1 3 369.841 3.509 20 30 FHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1ccco1 ZINC000822928564 607252208 /nfs/dbraw/zinc/25/22/08/607252208.db2.gz KFQFLELOTQUBKE-KHPPLWFESA-N -1 3 372.384 3.935 20 30 FHEDHM O=C(C=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1ccco1 ZINC000822928564 607252209 /nfs/dbraw/zinc/25/22/09/607252209.db2.gz KFQFLELOTQUBKE-KHPPLWFESA-N -1 3 372.384 3.935 20 30 FHEDHM O=C(C=Cc1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826401240 607884053 /nfs/dbraw/zinc/88/40/53/607884053.db2.gz SYDJKARNPSGLCC-KRXBUXKQSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826401240 607884054 /nfs/dbraw/zinc/88/40/54/607884054.db2.gz SYDJKARNPSGLCC-KRXBUXKQSA-N -1 3 362.286 3.921 20 30 FHEDHM CCOc1cccc2cc(C(=O)C=Cc3ccccc3-c3nnn[n-]3)oc21 ZINC000825653377 607884239 /nfs/dbraw/zinc/88/42/39/607884239.db2.gz CDIXHGXPDYNHGT-KHPPLWFESA-N -1 3 360.373 3.908 20 30 FHEDHM CCOc1cccc2cc(C(=O)C=Cc3ccccc3-c3nn[n-]n3)oc21 ZINC000825653377 607884240 /nfs/dbraw/zinc/88/42/40/607884240.db2.gz CDIXHGXPDYNHGT-KHPPLWFESA-N -1 3 360.373 3.908 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826395421 607916184 /nfs/dbraw/zinc/91/61/84/607916184.db2.gz ASWRABPGEPIBNE-ZZXKWVIFSA-N -1 3 360.204 3.652 20 30 FHEDHM Nc1c(Cl)cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826395421 607916185 /nfs/dbraw/zinc/91/61/85/607916185.db2.gz ASWRABPGEPIBNE-ZZXKWVIFSA-N -1 3 360.204 3.652 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882661 607966987 /nfs/dbraw/zinc/96/69/87/607966987.db2.gz BDFGYMCHYMCKEO-LBPRGKRZSA-N -1 3 353.813 3.819 20 30 FHEDHM C=C[C@@H](CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882661 607966988 /nfs/dbraw/zinc/96/69/88/607966988.db2.gz BDFGYMCHYMCKEO-LBPRGKRZSA-N -1 3 353.813 3.819 20 30 FHEDHM C=C[C@@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000823882923 607969426 /nfs/dbraw/zinc/96/94/26/607969426.db2.gz GIESMUCRGCXOMT-KRWDZBQOSA-N -1 3 373.460 3.718 20 30 FHEDHM C=C[C@@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccccc1 ZINC000823882923 607969427 /nfs/dbraw/zinc/96/94/27/607969427.db2.gz GIESMUCRGCXOMT-KRWDZBQOSA-N -1 3 373.460 3.718 20 30 FHEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1snc(Cl)c1C#N ZINC000824262330 608180226 /nfs/dbraw/zinc/18/02/26/608180226.db2.gz ZQZLGKSINWSNMF-UHFFFAOYSA-N -1 3 373.873 3.511 20 30 FHEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1snc(Cl)c1C#N ZINC000824262330 608180228 /nfs/dbraw/zinc/18/02/28/608180228.db2.gz ZQZLGKSINWSNMF-UHFFFAOYSA-N -1 3 373.873 3.511 20 30 FHEDHM O=C1c2cccc(Br)c2CC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475605 608288608 /nfs/dbraw/zinc/28/86/08/608288608.db2.gz LCIIBIJVVUJHKE-XBXARRHUSA-N -1 3 373.235 3.513 20 30 FHEDHM O=C1c2cccc(Br)c2CC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475605 608288609 /nfs/dbraw/zinc/28/86/09/608288609.db2.gz LCIIBIJVVUJHKE-XBXARRHUSA-N -1 3 373.235 3.513 20 30 FHEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000826249564 608350270 /nfs/dbraw/zinc/35/02/70/608350270.db2.gz JEOJYQFYXPZNLC-UHFFFAOYSA-N -1 3 366.450 3.658 20 30 FHEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000826249564 608350271 /nfs/dbraw/zinc/35/02/71/608350271.db2.gz JEOJYQFYXPZNLC-UHFFFAOYSA-N -1 3 366.450 3.658 20 30 FHEDHM N#Cc1cccc(Cl)c1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826386913 608442735 /nfs/dbraw/zinc/44/27/35/608442735.db2.gz YJVMBEBKBLOQCB-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM N#Cc1cccc(Cl)c1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826386913 608442736 /nfs/dbraw/zinc/44/27/36/608442736.db2.gz YJVMBEBKBLOQCB-UHFFFAOYSA-N -1 3 362.824 3.685 20 30 FHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCC[C@@H]2Cc2ccccc2)n1 ZINC000826350479 608535046 /nfs/dbraw/zinc/53/50/46/608535046.db2.gz YELACTJDFJJLLH-CYBMUJFWSA-N -1 3 367.844 3.726 20 30 FHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCC[C@@H]2Cc2ccccc2)n1 ZINC000826350479 608535047 /nfs/dbraw/zinc/53/50/47/608535047.db2.gz YELACTJDFJJLLH-CYBMUJFWSA-N -1 3 367.844 3.726 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(-c2ccncc2)cc1 ZINC000826400872 608880099 /nfs/dbraw/zinc/88/00/99/608880099.db2.gz KDAKMXSLDDSYIP-KRXBUXKQSA-N -1 3 371.375 3.964 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(-c2ccncc2)cc1 ZINC000826400872 608880101 /nfs/dbraw/zinc/88/01/01/608880101.db2.gz KDAKMXSLDDSYIP-KRXBUXKQSA-N -1 3 371.375 3.964 20 30 FHEDHM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826273783 609270090 /nfs/dbraw/zinc/27/00/90/609270090.db2.gz UFCXWXNXKOEYGN-VQHVLOKHSA-N -1 3 374.379 3.600 20 30 FHEDHM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826273783 609270092 /nfs/dbraw/zinc/27/00/92/609270092.db2.gz UFCXWXNXKOEYGN-VQHVLOKHSA-N -1 3 374.379 3.600 20 30 FHEDHM COc1ccc(Cl)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826208286 609273991 /nfs/dbraw/zinc/27/39/91/609273991.db2.gz CKRNMFYHIMEOMX-UTCJRWHESA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(Cl)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826208286 609273993 /nfs/dbraw/zinc/27/39/93/609273993.db2.gz CKRNMFYHIMEOMX-UTCJRWHESA-N -1 3 358.760 3.564 20 30 FHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1OC(F)F ZINC000826297855 609309587 /nfs/dbraw/zinc/30/95/87/609309587.db2.gz VIAAEBAJWHRKSI-VURMDHGXSA-N -1 3 374.322 3.812 20 30 FHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1OC(F)F ZINC000826297855 609309588 /nfs/dbraw/zinc/30/95/88/609309588.db2.gz VIAAEBAJWHRKSI-VURMDHGXSA-N -1 3 374.322 3.812 20 30 FHEDHM Fc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(Cl)c1 ZINC000826374401 609475010 /nfs/dbraw/zinc/47/50/10/609475010.db2.gz XURPWWAFPJFSEF-UHFFFAOYSA-N -1 3 351.172 3.759 20 30 FHEDHM Fc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(Cl)c1 ZINC000826374401 609475013 /nfs/dbraw/zinc/47/50/13/609475013.db2.gz XURPWWAFPJFSEF-UHFFFAOYSA-N -1 3 351.172 3.759 20 30 FHEDHM C#CCCCCCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000823842174 609524853 /nfs/dbraw/zinc/52/48/53/609524853.db2.gz YKBTUVDEHMMRGJ-UHFFFAOYSA-N -1 3 373.460 3.984 20 30 FHEDHM C#CCCCCCC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000823842174 609524855 /nfs/dbraw/zinc/52/48/55/609524855.db2.gz YKBTUVDEHMMRGJ-UHFFFAOYSA-N -1 3 373.460 3.984 20 30 FHEDHM N#Cc1ccc(I)c(Nc2cc([O-])cc(F)c2)c1 ZINC001208125109 927502122 /nfs/dbraw/zinc/50/21/22/927502122.db2.gz GIIVLNJYIQXQES-UHFFFAOYSA-N -1 3 354.122 3.751 20 30 FHEDHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000254975477 928610110 /nfs/dbraw/zinc/61/01/10/928610110.db2.gz PZOVCKBPTMLJFL-UHFFFAOYSA-N -1 3 368.433 3.735 20 30 FHEDHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000254992704 928759365 /nfs/dbraw/zinc/75/93/65/928759365.db2.gz JIVYUFQWFPXGGE-CQSZACIVSA-N -1 3 368.433 3.877 20 30 FHEDHM COc1cc(C(=O)/C=C\c2c(C)nc3sc(C)cn23)c(OC)cc1[O-] ZINC000255005772 928868855 /nfs/dbraw/zinc/86/88/55/928868855.db2.gz NXINRVVDWNKKPH-WAYWQWQTSA-N -1 3 358.419 3.632 20 30 FHEDHM COCC[S@](=O)Cc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255031501 929350211 /nfs/dbraw/zinc/35/02/11/929350211.db2.gz JGEXEEJCCFSYST-QHCPKHFHSA-N -1 3 351.855 3.691 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 ZINC000176681675 937349626 /nfs/dbraw/zinc/34/96/26/937349626.db2.gz GECJBCXSXFULCU-HIFRSBDPSA-N -1 3 357.498 3.517 20 30 FHEDHM COc1cc(C(=O)/C=C\c2cnc3ccc(Br)cn23)ccc1[O-] ZINC000255137433 929819562 /nfs/dbraw/zinc/81/95/62/929819562.db2.gz LBDLCPFZAUUPKD-XQRVVYSFSA-N -1 3 373.206 3.707 20 30 FHEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134191322 930510832 /nfs/dbraw/zinc/51/08/32/930510832.db2.gz IJOAIJGZTDJTPS-SNVBAGLBSA-N -1 3 350.296 3.689 20 30 FHEDHM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccc1-n1cncn1 ZINC000430586636 931964502 /nfs/dbraw/zinc/96/45/02/931964502.db2.gz WQFLUMHDTGGUBP-CQSZACIVSA-N -1 3 365.462 3.820 20 30 FHEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121675927 934683692 /nfs/dbraw/zinc/68/36/92/934683692.db2.gz PWEQTVGFKZZESI-UHFFFAOYSA-N -1 3 364.854 3.894 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCSc2ccccc21 ZINC000329030458 934919408 /nfs/dbraw/zinc/91/94/08/934919408.db2.gz LEMCGJPPDMQQMV-UHFFFAOYSA-N -1 3 367.474 3.737 20 30 FHEDHM Cn1cc([C@H]([N-]C(=O)c2cc(C(F)(F)F)ccc2F)C(F)(F)F)cn1 ZINC000278468216 938457488 /nfs/dbraw/zinc/45/74/88/938457488.db2.gz ZXADFWJMHASQHZ-NSHDSACASA-N -1 3 369.240 3.611 20 30 FHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Cl)c(F)c1 ZINC000161950474 938482150 /nfs/dbraw/zinc/48/21/50/938482150.db2.gz GORYBRLRRDBUSN-LBPRGKRZSA-N -1 3 360.772 3.839 20 30 FHEDHM COc1cc(C(=O)/C=C/c2ccc(OC)c(OCCCC#N)c2)ccc1[O-] ZINC000064367370 938971537 /nfs/dbraw/zinc/97/15/37/938971537.db2.gz OPQVUVRQPFKWBI-VMPITWQZSA-N -1 3 367.401 3.988 20 30 FHEDHM COCCOc1cc(OC)ccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000190821492 939018916 /nfs/dbraw/zinc/01/89/16/939018916.db2.gz SILPUCBPCWNCBH-OAHLLOKOSA-N -1 3 374.462 3.790 20 30 FHEDHM COCCCOc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647378278 939078359 /nfs/dbraw/zinc/07/83/59/939078359.db2.gz KYPYRCDEGUJRDZ-MRXNPFEDSA-N -1 3 356.447 3.926 20 30 FHEDHM CCCc1c(NC(=O)c2cccc(C)c2[O-])cnn1-c1cccc(C#N)c1 ZINC000440081991 945226421 /nfs/dbraw/zinc/22/64/21/945226421.db2.gz TWGVPLFNQWNMAO-UHFFFAOYSA-N -1 3 360.417 3.963 20 30 FHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000255780573 939226718 /nfs/dbraw/zinc/22/67/18/939226718.db2.gz YEGTZMDXWHJEIA-WQFTWXBESA-N -1 3 362.832 3.677 20 30 FHEDHM Cc1cc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)c(F)cc1F ZINC000431628617 939228300 /nfs/dbraw/zinc/22/83/00/939228300.db2.gz RPYOIBWXEWPVFY-QGZVFWFLSA-N -1 3 364.417 3.987 20 30 FHEDHM CC(C)(C#N)c1ccccc1CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819892014 945308092 /nfs/dbraw/zinc/30/80/92/945308092.db2.gz QIUOEHHLRMAFRM-UHFFFAOYSA-N -1 3 352.829 3.933 20 30 FHEDHM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)n1C1CCOCC1 ZINC000659115037 941084550 /nfs/dbraw/zinc/08/45/50/941084550.db2.gz NLFKHBZAHGBATP-GOSISDBHSA-N -1 3 374.444 3.890 20 30 FHEDHM N#Cc1ccc(C2(C(=O)Nc3cc(Br)ccc3[O-])CC2)cc1 ZINC000188925468 941131303 /nfs/dbraw/zinc/13/13/03/941131303.db2.gz ZWVCMXPSMHWHGR-UHFFFAOYSA-N -1 3 357.207 3.697 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1C(F)(F)F ZINC000177619864 941139708 /nfs/dbraw/zinc/13/97/08/941139708.db2.gz BDYREXJXFSJHFI-UHFFFAOYSA-N -1 3 362.279 3.656 20 30 FHEDHM COC(=O)c1[n-]c(=NCc2ccc(-c3ccccc3C#N)cc2)sc1C ZINC000433774575 941892630 /nfs/dbraw/zinc/89/26/30/941892630.db2.gz MHTSRGOVLNFMAK-UHFFFAOYSA-N -1 3 363.442 3.811 20 30 FHEDHM N#CC(=C([O-])c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000041559064 942101646 /nfs/dbraw/zinc/10/16/46/942101646.db2.gz HHFKOZLSWCLDKU-GFCCVEGCSA-N -1 3 356.288 3.830 20 30 FHEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1cccc(Cl)c1 ZINC000041481239 942399242 /nfs/dbraw/zinc/39/92/42/942399242.db2.gz WOJQOKZOTPXJDW-OAHLLOKOSA-N -1 3 350.809 3.973 20 30 FHEDHM N#CC(=C([O-])c1cc(Br)cc2ccccc21)c1ccncn1 ZINC000545447365 942569114 /nfs/dbraw/zinc/56/91/14/942569114.db2.gz NKNXPBCDBIKPDB-OAHLLOKOSA-N -1 3 352.191 3.882 20 30 FHEDHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)c2)n1 ZINC000378475328 942805360 /nfs/dbraw/zinc/80/53/60/942805360.db2.gz PCJHNDDFBSQYSV-UHFFFAOYSA-N -1 3 370.412 3.965 20 30 FHEDHM COc1ccn2c(c1)ncc2C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000425305420 943265498 /nfs/dbraw/zinc/26/54/98/943265498.db2.gz AZHFOCVNPBHSGN-GFCCVEGCSA-N -1 3 354.435 3.587 20 30 FHEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Br)ccc1OC(F)F ZINC000417604541 943745367 /nfs/dbraw/zinc/74/53/67/943745367.db2.gz BYTOFJMPGKKUAM-LLVKDONJSA-N -1 3 364.186 3.560 20 30 FHEDHM C=CCOc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1OC ZINC000417615762 943765654 /nfs/dbraw/zinc/76/56/54/943765654.db2.gz GXGQUGZJTLRHEC-QZTJIDSGSA-N -1 3 353.418 3.663 20 30 FHEDHM CCCc1c([N-]S(=O)(=O)CCC(C)(C)C)cnn1-c1cccc(C#N)c1 ZINC000517063374 943964060 /nfs/dbraw/zinc/96/40/60/943964060.db2.gz HMQHAPLMXMWIMM-UHFFFAOYSA-N -1 3 374.510 3.874 20 30 FHEDHM Cc1oc(C#N)cc1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000436183078 944095107 /nfs/dbraw/zinc/09/51/07/944095107.db2.gz RDRPKKNZGKKUFV-UHFFFAOYSA-N -1 3 361.188 3.831 20 30 FHEDHM CCc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000436821043 944689705 /nfs/dbraw/zinc/68/97/05/944689705.db2.gz NQYXJDQPHNVUSG-UHFFFAOYSA-N -1 3 350.418 3.510 20 30 FHEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1OC ZINC000426717144 944717656 /nfs/dbraw/zinc/71/76/56/944717656.db2.gz MTEFMTSWRGMACV-HXUWFJFHSA-N -1 3 355.434 3.792 20 30 FHEDHM C=C(C)COc1cc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)ccc1OC ZINC000426711688 944734342 /nfs/dbraw/zinc/73/43/42/944734342.db2.gz QNTHAAGAGZMBJL-HXUWFJFHSA-N -1 3 355.434 3.874 20 30 FHEDHM C=C(C)COc1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)ccc1OC ZINC000426816011 944837136 /nfs/dbraw/zinc/83/71/36/944837136.db2.gz IJTCPKMHYZNLJI-LJQANCHMSA-N -1 3 359.397 3.705 20 30 FHEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000140367429 944847053 /nfs/dbraw/zinc/84/70/53/944847053.db2.gz CPETWJQCCVYKSS-JTQLQIEISA-N -1 3 365.817 3.768 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000500422267 944850192 /nfs/dbraw/zinc/85/01/92/944850192.db2.gz FVQFJWNPBQWQLK-UHFFFAOYSA-N -1 3 372.428 3.909 20 30 FHEDHM CCOc1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cc1[N+](=O)[O-] ZINC000522829046 945938750 /nfs/dbraw/zinc/93/87/50/945938750.db2.gz LCXUCOVIUSVVMF-CYBMUJFWSA-N -1 3 364.361 3.668 20 30 FHEDHM Cc1ccc(-c2nc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)co2)cc1 ZINC000822214317 945998938 /nfs/dbraw/zinc/99/89/38/945998938.db2.gz ZYAPOXQHRKZXNJ-KTKRTIGZSA-N -1 3 357.373 3.726 20 30 FHEDHM Cc1ccc(-c2nc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000822214317 945998943 /nfs/dbraw/zinc/99/89/43/945998943.db2.gz ZYAPOXQHRKZXNJ-KTKRTIGZSA-N -1 3 357.373 3.726 20 30 FHEDHM C=CCCC[C@@H](C)NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823894000 946500914 /nfs/dbraw/zinc/50/09/14/946500914.db2.gz DHNMKAPURFMLPQ-SNVBAGLBSA-N -1 3 350.879 3.551 20 30 FHEDHM C=CCCC[C@@H](C)NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823894000 946500929 /nfs/dbraw/zinc/50/09/29/946500929.db2.gz DHNMKAPURFMLPQ-SNVBAGLBSA-N -1 3 350.879 3.551 20 30 FHEDHM Cc1nc(C(=O)[N-]c2sccc2C#N)nn1-c1ccccc1C(C)C ZINC000121393218 946658653 /nfs/dbraw/zinc/65/86/53/946658653.db2.gz TYPQRUXIEHTROJ-UHFFFAOYSA-N -1 3 351.435 3.885 20 30 FHEDHM Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)cnc1N1CCCC[C@H]1C ZINC000328641667 946962582 /nfs/dbraw/zinc/96/25/82/946962582.db2.gz DHPDCMGFEJQALD-GFCCVEGCSA-N -1 3 368.416 3.816 20 30 FHEDHM COc1cc(C(=O)/C=C\c2ccc(OC)c(OC(F)F)c2)ccc1[O-] ZINC000209561187 947170585 /nfs/dbraw/zinc/17/05/85/947170585.db2.gz SZPHSNYHTQKVTG-UTCJRWHESA-N -1 3 350.317 3.907 20 30 FHEDHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000088547255 947337771 /nfs/dbraw/zinc/33/77/71/947337771.db2.gz QSQIRDICFJCBHA-UHFFFAOYSA-N -1 3 357.218 3.674 20 30 FHEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001573329364 947417741 /nfs/dbraw/zinc/41/77/41/947417741.db2.gz IMQTZCHKOYQUEM-DZGCQCFKSA-N -1 3 370.457 3.522 20 30 FHEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001573329364 947417751 /nfs/dbraw/zinc/41/77/51/947417751.db2.gz IMQTZCHKOYQUEM-DZGCQCFKSA-N -1 3 370.457 3.522 20 30 FHEDHM C=CCCCCCCNc1ncc(-c2nnn[n-]2)cc1Br ZINC001573334657 947462561 /nfs/dbraw/zinc/46/25/61/947462561.db2.gz HHQMQHFIIVUFNI-UHFFFAOYSA-N -1 3 351.252 3.573 20 30 FHEDHM C=CCCCCCCNc1ncc(-c2nn[n-]n2)cc1Br ZINC001573334657 947462567 /nfs/dbraw/zinc/46/25/67/947462567.db2.gz HHQMQHFIIVUFNI-UHFFFAOYSA-N -1 3 351.252 3.573 20 30 FHEDHM C=CCCC[C@H](NC(=O)c1cscc1-c1nnn[n-]1)c1ccccc1 ZINC001573334812 947465047 /nfs/dbraw/zinc/46/50/47/947465047.db2.gz IMBHWRGOXQOZPT-INIZCTEOSA-N -1 3 353.451 3.756 20 30 FHEDHM C=CCCC[C@H](NC(=O)c1cscc1-c1nn[n-]n1)c1ccccc1 ZINC001573334812 947465054 /nfs/dbraw/zinc/46/50/54/947465054.db2.gz IMBHWRGOXQOZPT-INIZCTEOSA-N -1 3 353.451 3.756 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](F)CC1CCCCC1 ZINC001573342420 947541802 /nfs/dbraw/zinc/54/18/02/947541802.db2.gz XTJCGPAJOFCKHE-SFHVURJKSA-N -1 3 371.460 3.690 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](F)CC1CCCCC1 ZINC001573342420 947541810 /nfs/dbraw/zinc/54/18/10/947541810.db2.gz XTJCGPAJOFCKHE-SFHVURJKSA-N -1 3 371.460 3.690 20 30 FHEDHM N#CCC[C@@H](C#N)CNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737681272 948008435 /nfs/dbraw/zinc/00/84/35/948008435.db2.gz BEAPUUHIYPULSN-AWEZNQCLSA-N -1 3 359.393 3.514 20 30 FHEDHM N#CCC[C@@H](C#N)CNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737681272 948008443 /nfs/dbraw/zinc/00/84/43/948008443.db2.gz BEAPUUHIYPULSN-AWEZNQCLSA-N -1 3 359.393 3.514 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400549 948216845 /nfs/dbraw/zinc/21/68/45/948216845.db2.gz BEBKADUADOMRAY-FPYGCLRLSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400549 948216854 /nfs/dbraw/zinc/21/68/54/948216854.db2.gz BEBKADUADOMRAY-FPYGCLRLSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400353 948216986 /nfs/dbraw/zinc/21/69/86/948216986.db2.gz WONJWBPTIRIECY-BAQGIRSFSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400353 948216994 /nfs/dbraw/zinc/21/69/94/948216994.db2.gz WONJWBPTIRIECY-BAQGIRSFSA-N -1 3 373.185 3.664 20 30 FHEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000184766369 948400426 /nfs/dbraw/zinc/40/04/26/948400426.db2.gz NSGORRILWXQBRL-UHFFFAOYSA-N -1 3 357.218 3.674 20 30 FHEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000481469648 567964096 /nfs/dbraw/zinc/96/40/96/567964096.db2.gz ZBGXYUQSJOIEJX-YGUOUDRMSA-N -1 3 364.829 3.575 20 30 FHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(Cl)c1 ZINC000568686967 568122788 /nfs/dbraw/zinc/12/27/88/568122788.db2.gz JMTHZBPIUURTRZ-UHFFFAOYSA-N -1 3 357.218 3.674 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000005165128 568380068 /nfs/dbraw/zinc/38/00/68/568380068.db2.gz NARKUGDVTBJZAY-UHFFFAOYSA-N -1 3 351.450 3.732 20 30 FHEDHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000570494024 568488203 /nfs/dbraw/zinc/48/82/03/568488203.db2.gz JHNKLXYGFAFFLI-UHFFFAOYSA-N -1 3 350.440 3.919 20 30 FHEDHM CCN(CC)c1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000736531489 598825052 /nfs/dbraw/zinc/82/50/52/598825052.db2.gz HQLIOKJBOBHTHH-PKNBQFBNSA-N -1 3 365.412 3.748 20 30 FHEDHM CCN(CC)c1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000736531489 598825054 /nfs/dbraw/zinc/82/50/54/598825054.db2.gz HQLIOKJBOBHTHH-PKNBQFBNSA-N -1 3 365.412 3.748 20 30 FHEDHM Clc1cccc2c1OCCCC2=NNc1cccc(-c2nnn[n-]2)c1 ZINC000737575202 598861697 /nfs/dbraw/zinc/86/16/97/598861697.db2.gz NGZHULGHRDQYIO-UHFFFAOYSA-N -1 3 354.801 3.509 20 30 FHEDHM Clc1cccc2c1OCCCC2=NNc1cccc(-c2nn[n-]n2)c1 ZINC000737575202 598861698 /nfs/dbraw/zinc/86/16/98/598861698.db2.gz NGZHULGHRDQYIO-UHFFFAOYSA-N -1 3 354.801 3.509 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738291170 598862594 /nfs/dbraw/zinc/86/25/94/598862594.db2.gz TUZJNSQHWXVLDK-RAXLEYEMSA-N -1 3 352.781 3.569 20 30 FHEDHM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738291170 598862596 /nfs/dbraw/zinc/86/25/96/598862596.db2.gz TUZJNSQHWXVLDK-RAXLEYEMSA-N -1 3 352.781 3.569 20 30 FHEDHM CC[C@H](C#N)Oc1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736310461 598871213 /nfs/dbraw/zinc/87/12/13/598871213.db2.gz ZFTFNHHJFGLRKE-CQSZACIVSA-N -1 3 368.828 3.813 20 30 FHEDHM CC[C@H](C#N)Oc1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736310461 598871214 /nfs/dbraw/zinc/87/12/14/598871214.db2.gz ZFTFNHHJFGLRKE-CQSZACIVSA-N -1 3 368.828 3.813 20 30 FHEDHM Cc1c2c(nc(S[C@H](C#N)C3CCCCC3)c1-c1nnn[n-]1)CCC2 ZINC000737220594 599011662 /nfs/dbraw/zinc/01/16/62/599011662.db2.gz ZRGIEJWVBHDQDV-OAHLLOKOSA-N -1 3 354.483 3.623 20 30 FHEDHM Cc1c2c(nc(S[C@H](C#N)C3CCCCC3)c1-c1nn[n-]n1)CCC2 ZINC000737220594 599011664 /nfs/dbraw/zinc/01/16/64/599011664.db2.gz ZRGIEJWVBHDQDV-OAHLLOKOSA-N -1 3 354.483 3.623 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@@H](CC)C1 ZINC000735418166 599023008 /nfs/dbraw/zinc/02/30/08/599023008.db2.gz CQTGIXCNWBAHIQ-QAPCUYQASA-N -1 3 368.485 3.533 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@@H](CC)C1 ZINC000735418166 599023010 /nfs/dbraw/zinc/02/30/10/599023010.db2.gz CQTGIXCNWBAHIQ-QAPCUYQASA-N -1 3 368.485 3.533 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@H](CC)C1 ZINC000735418168 599023062 /nfs/dbraw/zinc/02/30/62/599023062.db2.gz CQTGIXCNWBAHIQ-YJBOKZPZSA-N -1 3 368.485 3.533 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@H](CC)C1 ZINC000735418168 599023068 /nfs/dbraw/zinc/02/30/68/599023068.db2.gz CQTGIXCNWBAHIQ-YJBOKZPZSA-N -1 3 368.485 3.533 20 30 FHEDHM O=C1C(=Cc2ccc3ncccc3c2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503055 599114576 /nfs/dbraw/zinc/11/45/76/599114576.db2.gz ASDNTWZEZOZSMU-LFIBNONCSA-N -1 3 353.385 3.627 20 30 FHEDHM O=C1C(=Cc2ccc3ncccc3c2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503055 599114578 /nfs/dbraw/zinc/11/45/78/599114578.db2.gz ASDNTWZEZOZSMU-LFIBNONCSA-N -1 3 353.385 3.627 20 30 FHEDHM C=CCSCc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000735443114 599210297 /nfs/dbraw/zinc/21/02/97/599210297.db2.gz QFQBKKJAILFWJG-UHFFFAOYSA-N -1 3 368.462 3.874 20 30 FHEDHM C=CCSCc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000735443114 599210298 /nfs/dbraw/zinc/21/02/98/599210298.db2.gz QFQBKKJAILFWJG-UHFFFAOYSA-N -1 3 368.462 3.874 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](CC)CCCC ZINC000735420957 599223120 /nfs/dbraw/zinc/22/31/20/599223120.db2.gz VXQAPOVQGHHJJY-INIZCTEOSA-N -1 3 355.486 3.988 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](CC)CCCC ZINC000735420957 599223122 /nfs/dbraw/zinc/22/31/22/599223122.db2.gz VXQAPOVQGHHJJY-INIZCTEOSA-N -1 3 355.486 3.988 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735506295 598503305 /nfs/dbraw/zinc/50/33/05/598503305.db2.gz VBUVICWGLRMXGX-GFCCVEGCSA-N -1 3 368.441 3.870 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735506295 598503306 /nfs/dbraw/zinc/50/33/06/598503306.db2.gz VBUVICWGLRMXGX-GFCCVEGCSA-N -1 3 368.441 3.870 20 30 FHEDHM C(=NNc1ccccc1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735400527 598545882 /nfs/dbraw/zinc/54/58/82/598545882.db2.gz RKVIXDKVDHRPCK-UHFFFAOYSA-N -1 3 370.416 3.892 20 30 FHEDHM C(=NNc1ccccc1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735400527 598545884 /nfs/dbraw/zinc/54/58/84/598545884.db2.gz RKVIXDKVDHRPCK-UHFFFAOYSA-N -1 3 370.416 3.892 20 30 FHEDHM C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140377 598573245 /nfs/dbraw/zinc/57/32/45/598573245.db2.gz UXJNBGDWRHIHLK-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140377 598573247 /nfs/dbraw/zinc/57/32/47/598573247.db2.gz UXJNBGDWRHIHLK-SNVBAGLBSA-N -1 3 358.327 3.930 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C(CC)c1ccccc1 ZINC000735419012 598735704 /nfs/dbraw/zinc/73/57/04/598735704.db2.gz OMVLTFSZCLEAQP-OBGWFSINSA-N -1 3 373.460 3.875 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C(CC)c1ccccc1 ZINC000735419012 598735705 /nfs/dbraw/zinc/73/57/05/598735705.db2.gz OMVLTFSZCLEAQP-OBGWFSINSA-N -1 3 373.460 3.875 20 30 FHEDHM N#Cc1ccc(Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)nc1 ZINC000737720844 598796995 /nfs/dbraw/zinc/79/69/95/598796995.db2.gz AHXLZKMPGZUIPW-UHFFFAOYSA-N -1 3 355.361 3.669 20 30 FHEDHM C=CCC[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000819733903 607367087 /nfs/dbraw/zinc/36/70/87/607367087.db2.gz FDODJALKUMLSPW-MRXNPFEDSA-N -1 3 364.478 3.861 20 30 FHEDHM C=CCC[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000819733903 607367089 /nfs/dbraw/zinc/36/70/89/607367089.db2.gz FDODJALKUMLSPW-MRXNPFEDSA-N -1 3 364.478 3.861 20 30 FHEDHM CCOc1ccc(C=Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(O)c1 ZINC000821417215 607367542 /nfs/dbraw/zinc/36/75/42/607367542.db2.gz JMFGLXHZHDPDBC-UHFFFAOYSA-N -1 3 367.409 3.509 20 30 FHEDHM CCOc1ccc(C=Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(O)c1 ZINC000821417215 607367544 /nfs/dbraw/zinc/36/75/44/607367544.db2.gz JMFGLXHZHDPDBC-UHFFFAOYSA-N -1 3 367.409 3.509 20 30 FHEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2ccccc2c1 ZINC000737809384 599459282 /nfs/dbraw/zinc/45/92/82/599459282.db2.gz VUAXGTFAPBHVIH-CMDGGOBGSA-N -1 3 366.384 3.564 20 30 FHEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2ccccc2c1 ZINC000737809384 599459284 /nfs/dbraw/zinc/45/92/84/599459284.db2.gz VUAXGTFAPBHVIH-CMDGGOBGSA-N -1 3 366.384 3.564 20 30 FHEDHM N#Cc1ccc(NC(=O)C2CCC(c3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000822830212 599632341 /nfs/dbraw/zinc/63/23/41/599632341.db2.gz XIBZJTMCUMGCIL-UHFFFAOYSA-N -1 3 372.432 3.651 20 30 FHEDHM N#Cc1ccc(NC(=O)C2CCC(c3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000822830212 599632342 /nfs/dbraw/zinc/63/23/42/599632342.db2.gz XIBZJTMCUMGCIL-UHFFFAOYSA-N -1 3 372.432 3.651 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccncc2)cc1 ZINC000822928242 599691609 /nfs/dbraw/zinc/69/16/09/599691609.db2.gz FODUKDSSJIDFBS-RUDMXATFSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccncc2)cc1 ZINC000822928242 599691610 /nfs/dbraw/zinc/69/16/10/599691610.db2.gz FODUKDSSJIDFBS-RUDMXATFSA-N -1 3 353.385 3.825 20 30 FHEDHM N#Cc1ccc([C@@H](N[C@H]2CCc3cc(Br)ccc32)C(=O)[O-])cc1 ZINC000739107513 600595970 /nfs/dbraw/zinc/59/59/70/600595970.db2.gz RLLAMPFNZUKCRV-DLBZAZTESA-N -1 3 371.234 3.724 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1OC(F)F ZINC000822923791 607457003 /nfs/dbraw/zinc/45/70/03/607457003.db2.gz UPGQGSDLYBAQNB-BQYQJAHWSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OC(F)F ZINC000822923791 607457006 /nfs/dbraw/zinc/45/70/06/607457006.db2.gz UPGQGSDLYBAQNB-BQYQJAHWSA-N -1 3 360.295 3.503 20 30 FHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822000256 607459598 /nfs/dbraw/zinc/45/95/98/607459598.db2.gz CNAZWGJDZBCTNI-QJZKUFFDSA-N -1 3 358.423 3.828 20 30 FHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822000256 607459600 /nfs/dbraw/zinc/45/96/00/607459600.db2.gz CNAZWGJDZBCTNI-QJZKUFFDSA-N -1 3 358.423 3.828 20 30 FHEDHM CCOc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OCC ZINC000830063490 601297581 /nfs/dbraw/zinc/29/75/81/601297581.db2.gz CJTPJIDXOUKSMG-VLIAUNLRSA-N -1 3 368.433 3.832 20 30 FHEDHM COc1cc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(C)C ZINC000831955198 601300899 /nfs/dbraw/zinc/30/08/99/601300899.db2.gz FWFKIRHDSAZDIR-VLIAUNLRSA-N -1 3 368.433 3.831 20 30 FHEDHM CC(C)CN(Cc1cccc(C(=O)[O-])c1C#N)C[C@H](O)c1ccc(F)cc1 ZINC000833489878 604609275 /nfs/dbraw/zinc/60/92/75/604609275.db2.gz WLSMHYUOAPPCHE-FQEVSTJZSA-N -1 3 370.424 3.587 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C1CCC(C)(C)CC1 ZINC000823910013 607709138 /nfs/dbraw/zinc/70/91/38/607709138.db2.gz WCYINWAZBKELIU-UHFFFAOYSA-N -1 3 365.481 3.908 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C1CCC(C)(C)CC1 ZINC000823910013 607709139 /nfs/dbraw/zinc/70/91/39/607709139.db2.gz WCYINWAZBKELIU-UHFFFAOYSA-N -1 3 365.481 3.908 20 30 FHEDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000833420241 604947742 /nfs/dbraw/zinc/94/77/42/604947742.db2.gz POUPSIZOFCXEPL-AWEZNQCLSA-N -1 3 350.846 3.565 20 30 FHEDHM C=CCC[C@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000833373698 605144250 /nfs/dbraw/zinc/14/42/50/605144250.db2.gz YQRMONMAGLCFLK-SFHVURJKSA-N -1 3 352.434 3.645 20 30 FHEDHM N#Cc1ccc(CN2CCC(Nc3ccc(NC(=O)[O-])cc3)CC2)cc1 ZINC000833971806 605346058 /nfs/dbraw/zinc/34/60/58/605346058.db2.gz OHHBRFZQFMAVGO-UHFFFAOYSA-N -1 3 350.422 3.725 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Br)s1 ZINC000822923332 606302651 /nfs/dbraw/zinc/30/26/51/606302651.db2.gz PXJWBRYKTRRUAS-OWOJBTEDSA-N -1 3 367.253 3.648 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Br)s1 ZINC000822923332 606302652 /nfs/dbraw/zinc/30/26/52/606302652.db2.gz PXJWBRYKTRRUAS-OWOJBTEDSA-N -1 3 367.253 3.648 20 30 FHEDHM COc1cccc2cc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)oc21 ZINC000821877894 606303986 /nfs/dbraw/zinc/30/39/86/606303986.db2.gz YKQJEMAXIDYGJW-AATRIKPKSA-N -1 3 352.375 3.579 20 30 FHEDHM COc1cccc2cc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)oc21 ZINC000821877894 606303989 /nfs/dbraw/zinc/30/39/89/606303989.db2.gz YKQJEMAXIDYGJW-AATRIKPKSA-N -1 3 352.375 3.579 20 30 FHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CSc2ccc(Cl)cc21 ZINC000823504620 606304760 /nfs/dbraw/zinc/30/47/60/606304760.db2.gz RZIWLOXUMBYZMK-FPYGCLRLSA-N -1 3 360.851 3.954 20 30 FHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CSc2ccc(Cl)cc21 ZINC000823504620 606304762 /nfs/dbraw/zinc/30/47/62/606304762.db2.gz RZIWLOXUMBYZMK-FPYGCLRLSA-N -1 3 360.851 3.954 20 30 FHEDHM CC(C)COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820103336 606388844 /nfs/dbraw/zinc/38/88/44/606388844.db2.gz VLUDMGPVQQLGNA-CLFYSBASSA-N -1 3 354.435 3.859 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(OC(F)(F)F)c1 ZINC000822929141 606392776 /nfs/dbraw/zinc/39/27/76/606392776.db2.gz QGCWEDYKQXNLQI-XQRVVYSFSA-N -1 3 366.324 3.723 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820219085 606510525 /nfs/dbraw/zinc/51/05/25/606510525.db2.gz CHHLTELUIMKGQU-SNVBAGLBSA-N -1 3 370.463 3.575 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820219085 606510527 /nfs/dbraw/zinc/51/05/27/606510527.db2.gz CHHLTELUIMKGQU-SNVBAGLBSA-N -1 3 370.463 3.575 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822259008 606820681 /nfs/dbraw/zinc/82/06/81/606820681.db2.gz JMKGHMSUOHUPPP-VMPITWQZSA-N -1 3 356.332 3.673 20 30 FHEDHM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822259008 606820683 /nfs/dbraw/zinc/82/06/83/606820683.db2.gz JMKGHMSUOHUPPP-VMPITWQZSA-N -1 3 356.332 3.673 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cc(Br)ccc1F ZINC000822928253 606837059 /nfs/dbraw/zinc/83/70/59/606837059.db2.gz FTAJSWILPDLHTA-QPJJXVBHSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cc(Br)ccc1F ZINC000822928253 606837061 /nfs/dbraw/zinc/83/70/61/606837061.db2.gz FTAJSWILPDLHTA-QPJJXVBHSA-N -1 3 373.185 3.664 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819857896 606928848 /nfs/dbraw/zinc/92/88/48/606928848.db2.gz WMDDMRHBDGHXJN-GFCCVEGCSA-N -1 3 368.441 3.870 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819857896 606928850 /nfs/dbraw/zinc/92/88/50/606928850.db2.gz WMDDMRHBDGHXJN-GFCCVEGCSA-N -1 3 368.441 3.870 20 30 FHEDHM CC(C)c1cccc2c1OCC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000824352368 607813832 /nfs/dbraw/zinc/81/38/32/607813832.db2.gz BFZQPVXYWVSGCP-DHZHZOJOSA-N -1 3 352.419 3.710 20 30 FHEDHM C[C@@H](C#N)CN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000824033752 607831476 /nfs/dbraw/zinc/83/14/76/607831476.db2.gz AHPGUXQICSVCFA-HNNXBMFYSA-N -1 3 358.449 3.658 20 30 FHEDHM C[C@@H](C#N)CN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000824033752 607831477 /nfs/dbraw/zinc/83/14/77/607831477.db2.gz AHPGUXQICSVCFA-HNNXBMFYSA-N -1 3 358.449 3.658 20 30 FHEDHM C#CCCCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823837332 608300543 /nfs/dbraw/zinc/30/05/43/608300543.db2.gz BRXNYZUCQLVKJT-UHFFFAOYSA-N -1 3 361.405 3.791 20 30 FHEDHM C#CCCCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823837332 608300545 /nfs/dbraw/zinc/30/05/45/608300545.db2.gz BRXNYZUCQLVKJT-UHFFFAOYSA-N -1 3 361.405 3.791 20 30 FHEDHM Fc1cc(Cl)c(NN=Cc2cc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC000826372333 608476114 /nfs/dbraw/zinc/47/61/14/608476114.db2.gz RVBVDHUXFZWNOB-UHFFFAOYSA-N -1 3 357.201 3.820 20 30 FHEDHM Fc1cc(Cl)c(NN=Cc2cc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC000826372333 608476116 /nfs/dbraw/zinc/47/61/16/608476116.db2.gz RVBVDHUXFZWNOB-UHFFFAOYSA-N -1 3 357.201 3.820 20 30 FHEDHM Cc1cc(Cl)cc(C)c1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826267835 608537430 /nfs/dbraw/zinc/53/74/30/608537430.db2.gz YRTGOEBTASSBFP-UHFFFAOYSA-N -1 3 362.224 3.631 20 30 FHEDHM Cc1cc(Cl)cc(C)c1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826267835 608537431 /nfs/dbraw/zinc/53/74/31/608537431.db2.gz YRTGOEBTASSBFP-UHFFFAOYSA-N -1 3 362.224 3.631 20 30 FHEDHM Fc1ccc([C@@H]2CCCC2N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826374228 608538157 /nfs/dbraw/zinc/53/81/57/608538157.db2.gz QTYNIRKLSBDKEH-ZDUSSCGKSA-N -1 3 371.807 3.790 20 30 FHEDHM Fc1ccc([C@@H]2CCCC2N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826374228 608538158 /nfs/dbraw/zinc/53/81/58/608538158.db2.gz QTYNIRKLSBDKEH-ZDUSSCGKSA-N -1 3 371.807 3.790 20 30 FHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2C[C@@H]3CCCc4cccc2c43)n1 ZINC000826350011 608539383 /nfs/dbraw/zinc/53/93/83/608539383.db2.gz DPAQIXLKSIGRIM-NSHDSACASA-N -1 3 365.828 3.555 20 30 FHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2C[C@@H]3CCCc4cccc2c43)n1 ZINC000826350011 608539385 /nfs/dbraw/zinc/53/93/85/608539385.db2.gz DPAQIXLKSIGRIM-NSHDSACASA-N -1 3 365.828 3.555 20 30 FHEDHM C[C@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c2ccccc21 ZINC000824898983 608540185 /nfs/dbraw/zinc/54/01/85/608540185.db2.gz HGDDZURWORMVMF-JTQLQIEISA-N -1 3 353.817 3.629 20 30 FHEDHM C[C@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c2ccccc21 ZINC000824898983 608540186 /nfs/dbraw/zinc/54/01/86/608540186.db2.gz HGDDZURWORMVMF-JTQLQIEISA-N -1 3 353.817 3.629 20 30 FHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc2ccccc21 ZINC000823958602 608541419 /nfs/dbraw/zinc/54/14/19/608541419.db2.gz SGIGMBNNBWWVSL-UHFFFAOYSA-N -1 3 363.812 3.904 20 30 FHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc2ccccc21 ZINC000823958602 608541421 /nfs/dbraw/zinc/54/14/21/608541421.db2.gz SGIGMBNNBWWVSL-UHFFFAOYSA-N -1 3 363.812 3.904 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000826401434 608874827 /nfs/dbraw/zinc/87/48/27/608874827.db2.gz YMZXHBZGLAJFOW-SOFGYWHQSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000826401434 608874828 /nfs/dbraw/zinc/87/48/28/608874828.db2.gz YMZXHBZGLAJFOW-SOFGYWHQSA-N -1 3 362.286 3.921 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000826191057 609269835 /nfs/dbraw/zinc/26/98/35/609269835.db2.gz VVHNQLKNDZTLQH-DAXSKMNVSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000826191057 609269836 /nfs/dbraw/zinc/26/98/36/609269836.db2.gz VVHNQLKNDZTLQH-DAXSKMNVSA-N -1 3 358.760 3.564 20 30 FHEDHM CCc1cccc2c(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)c[nH]c21 ZINC000825722746 609271814 /nfs/dbraw/zinc/27/18/14/609271814.db2.gz LRCKUCYKXLONLI-CLFYSBASSA-N -1 3 361.380 3.946 20 30 FHEDHM CCc1cccc2c(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)c[nH]c21 ZINC000825722746 609271815 /nfs/dbraw/zinc/27/18/15/609271815.db2.gz LRCKUCYKXLONLI-CLFYSBASSA-N -1 3 361.380 3.946 20 30 FHEDHM O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400922 609272978 /nfs/dbraw/zinc/27/29/78/609272978.db2.gz LDICWCAWWDURSA-DAXSKMNVSA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400922 609272979 /nfs/dbraw/zinc/27/29/79/609272979.db2.gz LDICWCAWWDURSA-DAXSKMNVSA-N -1 3 362.286 3.921 20 30 FHEDHM CCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825341380 609273536 /nfs/dbraw/zinc/27/35/36/609273536.db2.gz BGIHUSPHYLVHKY-TWGQIWQCSA-N -1 3 352.369 3.691 20 30 FHEDHM CCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825341380 609273537 /nfs/dbraw/zinc/27/35/37/609273537.db2.gz BGIHUSPHYLVHKY-TWGQIWQCSA-N -1 3 352.369 3.691 20 30 FHEDHM COc1ccc(C=C2CCc3[nH]c4ccccc4c3C2=O)cc1-c1nnn[n-]1 ZINC000826190454 609368732 /nfs/dbraw/zinc/36/87/32/609368732.db2.gz BTQWRVKUSMZUNX-RAXLEYEMSA-N -1 3 371.400 3.569 20 30 FHEDHM COc1ccc(C=C2CCc3[nH]c4ccccc4c3C2=O)cc1-c1nn[n-]n1 ZINC000826190454 609368735 /nfs/dbraw/zinc/36/87/35/609368735.db2.gz BTQWRVKUSMZUNX-RAXLEYEMSA-N -1 3 371.400 3.569 20 30 FHEDHM CC(C)CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccn1 ZINC000824227814 609473377 /nfs/dbraw/zinc/47/33/77/609473377.db2.gz CACCUXZQJULMID-UHFFFAOYSA-N -1 3 355.833 3.777 20 30 FHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@H](C)C1CCCCC1 ZINC000176681712 937349737 /nfs/dbraw/zinc/34/97/37/937349737.db2.gz GECJBCXSXFULCU-ZFWWWQNUSA-N -1 3 357.498 3.517 20 30 FHEDHM CC(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc([N+](=O)[O-])cn3)sc2C1 ZINC000579445647 930224817 /nfs/dbraw/zinc/22/48/17/930224817.db2.gz IPISVWAEWBHCHO-LLVKDONJSA-N -1 3 370.434 3.936 20 30 FHEDHM COc1cc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)ccc1[O-] ZINC000064925648 930467916 /nfs/dbraw/zinc/46/79/16/930467916.db2.gz IVLXEKSKNQNLEE-HWKANZROSA-N -1 3 365.288 3.807 20 30 FHEDHM Cc1cc(-n2cncn2)ccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430607175 932185329 /nfs/dbraw/zinc/18/53/29/932185329.db2.gz YNCUBNWXRQQMDG-OAHLLOKOSA-N -1 3 365.462 3.820 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)cc1 ZINC000538299595 934827633 /nfs/dbraw/zinc/82/76/33/934827633.db2.gz YLDRCEPUBRYSEF-UHFFFAOYSA-N -1 3 374.425 3.698 20 30 FHEDHM CCOc1cc([N-]C(=O)c2sccc2C#N)c([N+](=O)[O-])cc1OCC ZINC000128029998 935897839 /nfs/dbraw/zinc/89/78/39/935897839.db2.gz QIMYCDZAVPZUEX-UHFFFAOYSA-N -1 3 361.379 3.578 20 30 FHEDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000509580002 945136466 /nfs/dbraw/zinc/13/64/66/945136466.db2.gz OUWWWQBYKFSMER-UHFFFAOYSA-N -1 3 370.858 3.551 20 30 FHEDHM N#CC(=C([O-])c1ccc(O[C@H]2CCOC2)cc1)c1nc(C2CC2)cs1 ZINC000647379432 939084927 /nfs/dbraw/zinc/08/49/27/939084927.db2.gz JWBHLGBRCGHFKM-HOTGVXAUSA-N -1 3 354.431 3.678 20 30 FHEDHM Cc1cc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)c(F)cc1F ZINC000431628616 939228568 /nfs/dbraw/zinc/22/85/68/939228568.db2.gz RPYOIBWXEWPVFY-KRWDZBQOSA-N -1 3 364.417 3.987 20 30 FHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(C(C)=O)c2)cc1 ZINC000892502127 940115219 /nfs/dbraw/zinc/11/52/19/940115219.db2.gz VZTJHAMKOPNLAU-BFUOFWGJSA-N -1 3 363.417 3.759 20 30 FHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(Cl)c1 ZINC000161550737 940289043 /nfs/dbraw/zinc/28/90/43/940289043.db2.gz DAWKJXBYFALDON-UHFFFAOYSA-N -1 3 352.202 3.538 20 30 FHEDHM N#Cc1c2c(sc1[N-]C(=O)c1csc(-c3cnccn3)n1)CCCC2 ZINC000170839964 940842788 /nfs/dbraw/zinc/84/27/88/940842788.db2.gz JIBLCQBDMKPZPK-UHFFFAOYSA-N -1 3 367.459 3.664 20 30 FHEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3csc(-c4ccncc4)n3)on2)c1 ZINC000549319956 941937585 /nfs/dbraw/zinc/93/75/85/941937585.db2.gz AJWPMSFACNJUNF-UHFFFAOYSA-N -1 3 373.397 3.984 20 30 FHEDHM Cc1cc(NC(=O)c2ccco2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000041492109 942409835 /nfs/dbraw/zinc/40/98/35/942409835.db2.gz STEKCBZJXQVEKL-GFCCVEGCSA-N -1 3 351.387 3.787 20 30 FHEDHM C=CCc1cc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc(OC)c1O ZINC000417628184 943766429 /nfs/dbraw/zinc/76/64/29/943766429.db2.gz OZHKEGVVAKPIDQ-MSOLQXFVSA-N -1 3 353.418 3.532 20 30 FHEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc([O-])ccc1Cl ZINC000584870645 943845192 /nfs/dbraw/zinc/84/51/92/943845192.db2.gz PFQPJIFSRZKLLP-UHFFFAOYSA-N -1 3 353.727 3.846 20 30 FHEDHM CSc1ccc(-c2nsc([N-]C(=O)c3cc(C#N)oc3C)n2)cc1 ZINC000437589324 943951557 /nfs/dbraw/zinc/95/15/57/943951557.db2.gz KTATZWNJPDWUAA-UHFFFAOYSA-N -1 3 356.432 3.952 20 30 FHEDHM COc1ccc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c([O-])c1 ZINC000436609666 944459204 /nfs/dbraw/zinc/45/92/04/944459204.db2.gz SAOHZZSIBHXCGU-CYBMUJFWSA-N -1 3 351.189 3.702 20 30 FHEDHM N#Cc1ccccc1Oc1ccccc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473847282 944693557 /nfs/dbraw/zinc/69/35/57/944693557.db2.gz DETFMLXSTPAMPR-IBGZPJMESA-N -1 3 374.400 3.599 20 30 FHEDHM C=CCc1cc(CN[C@@H](C(=O)[O-])c2ccc(CC)cc2)cc(OC)c1O ZINC000426798878 944819875 /nfs/dbraw/zinc/81/98/75/944819875.db2.gz GNOTYZCKRLDILX-LJQANCHMSA-N -1 3 355.434 3.607 20 30 FHEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000125093142 945594831 /nfs/dbraw/zinc/59/48/31/945594831.db2.gz ZDIUHYWRDRIJKP-CQSZACIVSA-N -1 3 365.389 3.910 20 30 FHEDHM N#Cc1ccccc1Sc1ccccc1C(=O)NCc1ncccc1[O-] ZINC000473627884 945629525 /nfs/dbraw/zinc/62/95/25/945629525.db2.gz HQKDWSYLXASIQE-UHFFFAOYSA-N -1 3 361.426 3.740 20 30 FHEDHM Cc1ccc(-c2nc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)co2)cc1 ZINC000822214318 945998194 /nfs/dbraw/zinc/99/81/94/945998194.db2.gz ZYAPOXQHRKZXNJ-MDZDMXLPSA-N -1 3 357.373 3.726 20 30 FHEDHM Cc1ccc(-c2nc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)co2)cc1 ZINC000822214318 945998201 /nfs/dbraw/zinc/99/82/01/945998201.db2.gz ZYAPOXQHRKZXNJ-MDZDMXLPSA-N -1 3 357.373 3.726 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823498721 946440203 /nfs/dbraw/zinc/44/02/03/946440203.db2.gz ZFRRZJJHOGVBRY-WEVVVXLNSA-N -1 3 358.810 3.630 20 30 FHEDHM O=C1c2cc(Cl)ccc2OCCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823498721 946440205 /nfs/dbraw/zinc/44/02/05/946440205.db2.gz ZFRRZJJHOGVBRY-WEVVVXLNSA-N -1 3 358.810 3.630 20 30 FHEDHM C[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824669985 946890728 /nfs/dbraw/zinc/89/07/28/946890728.db2.gz JTWXLMQSUVREOL-AWEZNQCLSA-N -1 3 367.416 3.973 20 30 FHEDHM C[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824669985 946890742 /nfs/dbraw/zinc/89/07/42/946890742.db2.gz JTWXLMQSUVREOL-AWEZNQCLSA-N -1 3 367.416 3.973 20 30 FHEDHM CC1(C)Cc2cccc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)c2O1 ZINC000824813238 946940112 /nfs/dbraw/zinc/94/01/12/946940112.db2.gz WPQZPKMGGLCBET-VQHVLOKHSA-N -1 3 364.380 3.615 20 30 FHEDHM CC1(C)Cc2cccc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)c2O1 ZINC000824813238 946940122 /nfs/dbraw/zinc/94/01/22/946940122.db2.gz WPQZPKMGGLCBET-VQHVLOKHSA-N -1 3 364.380 3.615 20 30 FHEDHM C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001573294128 946978186 /nfs/dbraw/zinc/97/81/86/946978186.db2.gz VLPJWBVRBBBMOE-UHFFFAOYSA-N -1 3 366.400 3.616 20 30 FHEDHM C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001573294128 946978189 /nfs/dbraw/zinc/97/81/89/946978189.db2.gz VLPJWBVRBBBMOE-UHFFFAOYSA-N -1 3 366.400 3.616 20 30 FHEDHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000328689172 946989728 /nfs/dbraw/zinc/98/97/28/946989728.db2.gz HYVIVNHFFIUNKG-CQSZACIVSA-N -1 3 360.351 4.000 20 30 FHEDHM CCc1cccc2c(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)c[nH]c21 ZINC000825721937 947298989 /nfs/dbraw/zinc/29/89/89/947298989.db2.gz BZRIFNFVOHHFSR-CLFYSBASSA-N -1 3 361.380 3.946 20 30 FHEDHM CCc1cccc2c(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)c[nH]c21 ZINC000825721937 947298998 /nfs/dbraw/zinc/29/89/98/947298998.db2.gz BZRIFNFVOHHFSR-CLFYSBASSA-N -1 3 361.380 3.946 20 30 FHEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001573328945 947416347 /nfs/dbraw/zinc/41/63/47/947416347.db2.gz FKCWBUXKQZNQRS-PBHICJAKSA-N -1 3 368.485 3.536 20 30 FHEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001573328945 947416355 /nfs/dbraw/zinc/41/63/55/947416355.db2.gz FKCWBUXKQZNQRS-PBHICJAKSA-N -1 3 368.485 3.536 20 30 FHEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001573329367 947418220 /nfs/dbraw/zinc/41/82/20/947418220.db2.gz IMQTZCHKOYQUEM-ZFWWWQNUSA-N -1 3 370.457 3.522 20 30 FHEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001573329367 947418229 /nfs/dbraw/zinc/41/82/29/947418229.db2.gz IMQTZCHKOYQUEM-ZFWWWQNUSA-N -1 3 370.457 3.522 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1C1CCC1 ZINC001573342468 947541769 /nfs/dbraw/zinc/54/17/69/947541769.db2.gz YYGXCTMABROREO-UHFFFAOYSA-N -1 3 373.460 3.963 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1C1CCC1 ZINC001573342468 947541775 /nfs/dbraw/zinc/54/17/75/947541775.db2.gz YYGXCTMABROREO-UHFFFAOYSA-N -1 3 373.460 3.963 20 30 FHEDHM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000826177334 947551102 /nfs/dbraw/zinc/55/11/02/947551102.db2.gz DLLOEBASMIFAQL-SREVYHEPSA-N -1 3 352.369 3.527 20 30 FHEDHM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000826177334 947551107 /nfs/dbraw/zinc/55/11/07/947551107.db2.gz DLLOEBASMIFAQL-SREVYHEPSA-N -1 3 352.369 3.527 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1Cl ZINC000826190735 947582282 /nfs/dbraw/zinc/58/22/82/947582282.db2.gz LUYSWXPUXKSXCL-QHHAFSJGSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1Cl ZINC000826190735 947582289 /nfs/dbraw/zinc/58/22/89/947582289.db2.gz LUYSWXPUXKSXCL-QHHAFSJGSA-N -1 3 358.760 3.564 20 30 FHEDHM COc1ccc2oc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)cc2c1 ZINC000826213667 947624197 /nfs/dbraw/zinc/62/41/97/947624197.db2.gz GKCRDWXDBUHCEH-ZZXKWVIFSA-N -1 3 364.336 3.657 20 30 FHEDHM COc1ccc2oc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)cc2c1 ZINC000826213667 947624202 /nfs/dbraw/zinc/62/42/02/947624202.db2.gz GKCRDWXDBUHCEH-ZZXKWVIFSA-N -1 3 364.336 3.657 20 30 FHEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436556394 947672775 /nfs/dbraw/zinc/67/27/75/947672775.db2.gz KRMAMNHSPMJILJ-NSHDSACASA-N -1 3 356.403 3.625 20 30 FHEDHM N#Cc1cc(CNc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)ccn1 ZINC000826383712 948183715 /nfs/dbraw/zinc/18/37/15/948183715.db2.gz MYYYYQYFGSQJDQ-UHFFFAOYSA-N -1 3 369.388 3.538 20 30 FHEDHM N#Cc1cc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)ccn1 ZINC000826383712 948183722 /nfs/dbraw/zinc/18/37/22/948183722.db2.gz MYYYYQYFGSQJDQ-UHFFFAOYSA-N -1 3 369.388 3.538 20 30 FHEDHM O=C(C=Cc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400938 948220149 /nfs/dbraw/zinc/22/01/49/948220149.db2.gz LLNZSTXOOQQTHI-DAXSKMNVSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400938 948220154 /nfs/dbraw/zinc/22/01/54/948220154.db2.gz LLNZSTXOOQQTHI-DAXSKMNVSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000826401552 948223114 /nfs/dbraw/zinc/22/31/14/948223114.db2.gz BKOIMCIGFHKLFT-JXMROGBWSA-N -1 3 360.295 3.661 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000826401552 948223124 /nfs/dbraw/zinc/22/31/24/948223124.db2.gz BKOIMCIGFHKLFT-JXMROGBWSA-N -1 3 360.295 3.661 20 30 FHEDHM N#CC(=C([O-])c1ccccc1-n1cccn1)c1ccc(C(F)(F)F)cn1 ZINC000048829238 221015828 /nfs/dbraw/zinc/01/58/28/221015828.db2.gz KHXVTNTXJVETEK-CQSZACIVSA-N -1 3 356.307 3.776 20 30 FHEDHM Cc1ccc(-c2csc(C(C#N)C(=O)c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000603836558 568159586 /nfs/dbraw/zinc/15/95/86/568159586.db2.gz FGBBWWRZWVHHNQ-GFCCVEGCSA-N -1 3 352.375 3.845 20 30 FHEDHM O=C1C(=Cc2cc3cc(F)ccc3o2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503893 599114658 /nfs/dbraw/zinc/11/46/58/599114658.db2.gz KCGVVIUPMAYSBC-XFXZXTDPSA-N -1 3 360.348 3.965 20 30 FHEDHM O=C1C(=Cc2cc3cc(F)ccc3o2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503893 599114660 /nfs/dbraw/zinc/11/46/60/599114660.db2.gz KCGVVIUPMAYSBC-XFXZXTDPSA-N -1 3 360.348 3.965 20 30 FHEDHM O=C1C(=Cc2cccc(-c3nnn[n-]3)c2)Oc2cc(Cl)cc(Cl)c21 ZINC000823504808 599117371 /nfs/dbraw/zinc/11/73/71/599117371.db2.gz UVUYPEJDAGHGIF-WLRTZDKTSA-N -1 3 359.172 3.790 20 30 FHEDHM O=C1C(=Cc2cccc(-c3nn[n-]n3)c2)Oc2cc(Cl)cc(Cl)c21 ZINC000823504808 599117375 /nfs/dbraw/zinc/11/73/75/599117375.db2.gz UVUYPEJDAGHGIF-WLRTZDKTSA-N -1 3 359.172 3.790 20 30 FHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000737797707 599155744 /nfs/dbraw/zinc/15/57/44/599155744.db2.gz DZPXTMPTRPWAPS-HJWRWDBZSA-N -1 3 374.322 3.704 20 30 FHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000737797707 599155745 /nfs/dbraw/zinc/15/57/45/599155745.db2.gz DZPXTMPTRPWAPS-HJWRWDBZSA-N -1 3 374.322 3.704 20 30 FHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737801117 599151783 /nfs/dbraw/zinc/15/17/83/599151783.db2.gz LSNNIYFSDKMBAZ-KTKRTIGZSA-N -1 3 374.322 3.704 20 30 FHEDHM O=C(C=Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737801117 599151786 /nfs/dbraw/zinc/15/17/86/599151786.db2.gz LSNNIYFSDKMBAZ-KTKRTIGZSA-N -1 3 374.322 3.704 20 30 FHEDHM CC(C)(CCCc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735663982 599192827 /nfs/dbraw/zinc/19/28/27/599192827.db2.gz CDEORIPKKCLATK-UHFFFAOYSA-N -1 3 374.448 3.726 20 30 FHEDHM CC(C)(CCCc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735663982 599192831 /nfs/dbraw/zinc/19/28/31/599192831.db2.gz CDEORIPKKCLATK-UHFFFAOYSA-N -1 3 374.448 3.726 20 30 FHEDHM CC(C)[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735707557 599199163 /nfs/dbraw/zinc/19/91/63/599199163.db2.gz JABCHKMSPZWBET-QGZVFWFLSA-N -1 3 360.421 3.507 20 30 FHEDHM CC(C)[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735707557 599199165 /nfs/dbraw/zinc/19/91/65/599199165.db2.gz JABCHKMSPZWBET-QGZVFWFLSA-N -1 3 360.421 3.507 20 30 FHEDHM C=CC[C@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735409658 599217407 /nfs/dbraw/zinc/21/74/07/599217407.db2.gz HXRZIOBMSZDRKD-ZDUSSCGKSA-N -1 3 364.409 3.745 20 30 FHEDHM C=CC[C@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735409658 599217412 /nfs/dbraw/zinc/21/74/12/599217412.db2.gz HXRZIOBMSZDRKD-ZDUSSCGKSA-N -1 3 364.409 3.745 20 30 FHEDHM Cc1c2c(nc(S[C@@H](C)c3ccc(C#N)cc3)c1-c1nnn[n-]1)CCC2 ZINC000737220561 599288295 /nfs/dbraw/zinc/28/82/95/599288295.db2.gz ZFILFBRHZRRNQP-LBPRGKRZSA-N -1 3 362.462 3.784 20 30 FHEDHM Cc1c2c(nc(S[C@@H](C)c3ccc(C#N)cc3)c1-c1nn[n-]n1)CCC2 ZINC000737220561 599288297 /nfs/dbraw/zinc/28/82/97/599288297.db2.gz ZFILFBRHZRRNQP-LBPRGKRZSA-N -1 3 362.462 3.784 20 30 FHEDHM FC(F)(F)c1cc(N=NC=CCc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737632073 598314697 /nfs/dbraw/zinc/31/46/97/598314697.db2.gz JMEKAXPTYINHRC-YREGGAFVSA-N -1 3 358.327 3.997 20 30 FHEDHM FC(F)(F)c1cc(N=NC=CCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737632073 598314699 /nfs/dbraw/zinc/31/46/99/598314699.db2.gz JMEKAXPTYINHRC-YREGGAFVSA-N -1 3 358.327 3.997 20 30 FHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000735451053 598315401 /nfs/dbraw/zinc/31/54/01/598315401.db2.gz NPYWYUBSRPSHDT-UHFFFAOYSA-N -1 3 371.326 3.593 20 30 FHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000735451053 598315403 /nfs/dbraw/zinc/31/54/03/598315403.db2.gz NPYWYUBSRPSHDT-UHFFFAOYSA-N -1 3 371.326 3.593 20 30 FHEDHM O=C(C=Cc1nc(-c2ccccc2)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000737808403 598377639 /nfs/dbraw/zinc/37/76/39/598377639.db2.gz SDIUQUSOZNLQQR-KTKRTIGZSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1nc(-c2ccccc2)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000737808403 598377640 /nfs/dbraw/zinc/37/76/40/598377640.db2.gz SDIUQUSOZNLQQR-KTKRTIGZSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cccc(OC(F)(F)F)c1 ZINC000737797127 598492748 /nfs/dbraw/zinc/49/27/48/598492748.db2.gz INJOSKZMUCFRIF-BQYQJAHWSA-N -1 3 360.295 3.661 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cccc(OC(F)(F)F)c1 ZINC000737797127 598492749 /nfs/dbraw/zinc/49/27/49/598492749.db2.gz INJOSKZMUCFRIF-BQYQJAHWSA-N -1 3 360.295 3.661 20 30 FHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000737799446 598538176 /nfs/dbraw/zinc/53/81/76/598538176.db2.gz OMTMCFLACSFJDR-FPLPWBNLSA-N -1 3 360.295 3.661 20 30 FHEDHM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000737799446 598538178 /nfs/dbraw/zinc/53/81/78/598538178.db2.gz OMTMCFLACSFJDR-FPLPWBNLSA-N -1 3 360.295 3.661 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735973257 598554828 /nfs/dbraw/zinc/55/48/28/598554828.db2.gz DPTFAKGVGIOHGS-GFCCVEGCSA-N -1 3 364.434 3.513 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735973257 598554829 /nfs/dbraw/zinc/55/48/29/598554829.db2.gz DPTFAKGVGIOHGS-GFCCVEGCSA-N -1 3 364.434 3.513 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735973789 598557647 /nfs/dbraw/zinc/55/76/47/598557647.db2.gz HHYYIXVKIJPKMC-CYBMUJFWSA-N -1 3 350.451 3.873 20 30 FHEDHM C[C@H](CC#N)Sc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735973789 598557649 /nfs/dbraw/zinc/55/76/49/598557649.db2.gz HHYYIXVKIJPKMC-CYBMUJFWSA-N -1 3 350.451 3.873 20 30 FHEDHM CC[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736391297 598568947 /nfs/dbraw/zinc/56/89/47/598568947.db2.gz MFNNWYYXKHAWIY-ZDUSSCGKSA-N -1 3 371.857 3.612 20 30 FHEDHM CC[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736391297 598568948 /nfs/dbraw/zinc/56/89/48/598568948.db2.gz MFNNWYYXKHAWIY-ZDUSSCGKSA-N -1 3 371.857 3.612 20 30 FHEDHM CC1(C)CCc2cc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)ccc2O1 ZINC000736210949 598584613 /nfs/dbraw/zinc/58/46/13/598584613.db2.gz JNCKSTGPAAFVEH-SOFGYWHQSA-N -1 3 360.417 3.866 20 30 FHEDHM CC1(C)CCc2cc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)ccc2O1 ZINC000736210949 598584614 /nfs/dbraw/zinc/58/46/14/598584614.db2.gz JNCKSTGPAAFVEH-SOFGYWHQSA-N -1 3 360.417 3.866 20 30 FHEDHM O=C1c2cccc(Cl)c2SCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738292206 598641505 /nfs/dbraw/zinc/64/15/05/598641505.db2.gz YMNKIMMFESLVRG-XYOKQWHBSA-N -1 3 354.822 3.892 20 30 FHEDHM O=C1c2cccc(Cl)c2SCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738292206 598641506 /nfs/dbraw/zinc/64/15/06/598641506.db2.gz YMNKIMMFESLVRG-XYOKQWHBSA-N -1 3 354.822 3.892 20 30 FHEDHM O=C1c2cccc(Cl)c2SCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738291664 598641612 /nfs/dbraw/zinc/64/16/12/598641612.db2.gz VWIOMPYYWPVCMZ-WQLSENKSSA-N -1 3 354.822 3.892 20 30 FHEDHM O=C1c2cccc(Cl)c2SCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738291664 598641609 /nfs/dbraw/zinc/64/16/09/598641609.db2.gz VWIOMPYYWPVCMZ-WQLSENKSSA-N -1 3 354.822 3.892 20 30 FHEDHM C=CCN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(C)C ZINC000735417041 598653002 /nfs/dbraw/zinc/65/30/02/598653002.db2.gz XSKGBHPRVFPHEE-UHFFFAOYSA-N -1 3 363.421 3.696 20 30 FHEDHM C=CCN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(C)C ZINC000735417041 598653003 /nfs/dbraw/zinc/65/30/03/598653003.db2.gz XSKGBHPRVFPHEE-UHFFFAOYSA-N -1 3 363.421 3.696 20 30 FHEDHM C[C@H](SCCOc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736190395 599325787 /nfs/dbraw/zinc/32/57/87/599325787.db2.gz RTJQXAIXBNPPDL-ZDUSSCGKSA-N -1 3 351.435 3.612 20 30 FHEDHM C[C@H](SCCOc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736190395 599325789 /nfs/dbraw/zinc/32/57/89/599325789.db2.gz RTJQXAIXBNPPDL-ZDUSSCGKSA-N -1 3 351.435 3.612 20 30 FHEDHM Clc1cnc(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)c(Cl)c1 ZINC000822590023 599332486 /nfs/dbraw/zinc/33/24/86/599332486.db2.gz GHFOACCKWVYVLD-UHFFFAOYSA-N -1 3 374.235 3.721 20 30 FHEDHM Clc1cnc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)c(Cl)c1 ZINC000822590023 599332489 /nfs/dbraw/zinc/33/24/89/599332489.db2.gz GHFOACCKWVYVLD-UHFFFAOYSA-N -1 3 374.235 3.721 20 30 FHEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1C(F)(F)F ZINC000737718363 599334178 /nfs/dbraw/zinc/33/41/78/599334178.db2.gz IIJWHEOSTMGYNZ-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1C(F)(F)F ZINC000737718363 599334181 /nfs/dbraw/zinc/33/41/81/599334181.db2.gz IIJWHEOSTMGYNZ-UHFFFAOYSA-N -1 3 362.290 3.508 20 30 FHEDHM CC(C)(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735647718 599459722 /nfs/dbraw/zinc/45/97/22/599459722.db2.gz APZOYJZPHLERQE-KTKRTIGZSA-N -1 3 372.432 3.708 20 30 FHEDHM CC(C)(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735647718 599459725 /nfs/dbraw/zinc/45/97/25/599459725.db2.gz APZOYJZPHLERQE-KTKRTIGZSA-N -1 3 372.432 3.708 20 30 FHEDHM N#Cc1cccc(Cl)c1NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822837931 599466363 /nfs/dbraw/zinc/46/63/63/599466363.db2.gz ZDPWBVKLKHPFDZ-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM N#Cc1cccc(Cl)c1NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822837931 599466365 /nfs/dbraw/zinc/46/63/65/599466365.db2.gz ZDPWBVKLKHPFDZ-UHFFFAOYSA-N -1 3 370.869 3.737 20 30 FHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccncc2)cc1 ZINC000822928243 599691703 /nfs/dbraw/zinc/69/17/03/599691703.db2.gz FODUKDSSJIDFBS-WTKPLQERSA-N -1 3 353.385 3.825 20 30 FHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccncc2)cc1 ZINC000822928243 599691704 /nfs/dbraw/zinc/69/17/04/599691704.db2.gz FODUKDSSJIDFBS-WTKPLQERSA-N -1 3 353.385 3.825 20 30 FHEDHM N#CC1(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CCCC1 ZINC000822802228 599694008 /nfs/dbraw/zinc/69/40/08/599694008.db2.gz XNZNVULTAYVHEU-UHFFFAOYSA-N -1 3 359.389 3.523 20 30 FHEDHM N#CC1(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CCCC1 ZINC000822802228 599694009 /nfs/dbraw/zinc/69/40/09/599694009.db2.gz XNZNVULTAYVHEU-UHFFFAOYSA-N -1 3 359.389 3.523 20 30 FHEDHM N#Cc1ccccc1N1CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000739146503 600400954 /nfs/dbraw/zinc/40/09/54/600400954.db2.gz GGEWUMDZBLJNEK-IBGZPJMESA-N -1 3 369.852 3.550 20 30 FHEDHM CCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737179218 600594534 /nfs/dbraw/zinc/59/45/34/600594534.db2.gz DTZYIGXMPVIBIH-KRWDZBQOSA-N -1 3 374.824 3.534 20 30 FHEDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000738008138 600597706 /nfs/dbraw/zinc/59/77/06/600597706.db2.gz FWTWNZHRBDEHLF-INIZCTEOSA-N -1 3 364.323 3.501 20 30 FHEDHM Cc1cc(Br)ccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738313003 600598549 /nfs/dbraw/zinc/59/85/49/600598549.db2.gz CZIVSWIOBVLPPH-MRXNPFEDSA-N -1 3 359.223 3.545 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(OC(F)F)c1 ZINC000822924259 607459104 /nfs/dbraw/zinc/45/91/04/607459104.db2.gz ZPPQXNPXARRLJQ-SREVYHEPSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(OC(F)F)c1 ZINC000822924259 607459105 /nfs/dbraw/zinc/45/91/05/607459105.db2.gz ZPPQXNPXARRLJQ-SREVYHEPSA-N -1 3 360.295 3.503 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000822923790 607459133 /nfs/dbraw/zinc/45/91/33/607459133.db2.gz UOEOTNPZZHOQFZ-YVMONPNESA-N -1 3 362.286 3.921 20 30 FHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000822923790 607459135 /nfs/dbraw/zinc/45/91/35/607459135.db2.gz UOEOTNPZZHOQFZ-YVMONPNESA-N -1 3 362.286 3.921 20 30 FHEDHM N#Cc1ccc(OCCN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000833071374 600755758 /nfs/dbraw/zinc/75/57/58/600755758.db2.gz ISFNPKWCZURVII-MRXNPFEDSA-N -1 3 365.216 3.659 20 30 FHEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000827718850 601299245 /nfs/dbraw/zinc/29/92/45/601299245.db2.gz YXTQVYIKQLMOFN-BZNIZROVSA-N -1 3 364.323 3.933 20 30 FHEDHM N#Cc1cccc([C@@H](NCc2ccc(F)cc2C(F)(F)F)C(=O)[O-])c1 ZINC000833075279 601301360 /nfs/dbraw/zinc/30/13/60/601301360.db2.gz JRZAKNXJAZCDPY-OAHLLOKOSA-N -1 3 352.287 3.632 20 30 FHEDHM CC[C@@](NCc1ccc(C#N)cc1OC(F)F)(C(=O)[O-])c1ccccc1 ZINC000828989364 601531820 /nfs/dbraw/zinc/53/18/20/601531820.db2.gz YJEOTWWDIHRTQO-IBGZPJMESA-N -1 3 360.360 3.639 20 30 FHEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC000827717852 601560481 /nfs/dbraw/zinc/56/04/81/601560481.db2.gz LSZQIFKPQJGXAN-BZNIZROVSA-N -1 3 364.323 3.933 20 30 FHEDHM C[C@@H](C(=O)[O-])[C@H](NCc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000826054839 601653191 /nfs/dbraw/zinc/65/31/91/601653191.db2.gz RBKYWLBURHHWJV-ACJLOTCBSA-N -1 3 358.825 3.794 20 30 FHEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000827717153 602303501 /nfs/dbraw/zinc/30/35/01/602303501.db2.gz DLWYCUBDWJPMPA-RBZFPXEDSA-N -1 3 368.408 3.963 20 30 FHEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823909783 607648988 /nfs/dbraw/zinc/64/89/88/607648988.db2.gz QYUBELPNMVWFEJ-UHFFFAOYSA-N -1 3 373.869 3.718 20 30 FHEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823909783 607648989 /nfs/dbraw/zinc/64/89/89/607648989.db2.gz QYUBELPNMVWFEJ-UHFFFAOYSA-N -1 3 373.869 3.718 20 30 FHEDHM C=CCC[C@H](NCC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000833373473 605144087 /nfs/dbraw/zinc/14/40/87/605144087.db2.gz QGRYZYCJGPNAQY-SFHVURJKSA-N -1 3 352.434 3.929 20 30 FHEDHM N#Cc1ccccc1-c1ccc(CNCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000833977028 605884885 /nfs/dbraw/zinc/88/48/85/605884885.db2.gz ULQZCNHHOZYVNP-UHFFFAOYSA-N -1 3 358.401 4.000 20 30 FHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(C(F)(F)F)c1 ZINC000822922806 606302605 /nfs/dbraw/zinc/30/26/05/606302605.db2.gz JXWHXUXPNZUEGN-SNAWJCMRSA-N -1 3 350.325 3.843 20 30 FHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000822922806 606302608 /nfs/dbraw/zinc/30/26/08/606302608.db2.gz JXWHXUXPNZUEGN-SNAWJCMRSA-N -1 3 350.325 3.843 20 30 FHEDHM CC(C)c1ccc2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CO2 ZINC000820192795 606305230 /nfs/dbraw/zinc/30/52/30/606305230.db2.gz ZRSMMONYNDLXFC-LFYBBSHMSA-N -1 3 352.419 3.710 20 30 FHEDHM CC(C)c1ccc2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CO2 ZINC000820192795 606305232 /nfs/dbraw/zinc/30/52/32/606305232.db2.gz ZRSMMONYNDLXFC-LFYBBSHMSA-N -1 3 352.419 3.710 20 30 FHEDHM C=CCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000819734287 606334876 /nfs/dbraw/zinc/33/48/76/606334876.db2.gz KZPCFPXSSXDVKV-UHFFFAOYSA-N -1 3 365.462 3.989 20 30 FHEDHM C=CCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000819734287 606334877 /nfs/dbraw/zinc/33/48/77/606334877.db2.gz KZPCFPXSSXDVKV-UHFFFAOYSA-N -1 3 365.462 3.989 20 30 FHEDHM C=C(Cl)COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819730220 606389974 /nfs/dbraw/zinc/38/99/74/606389974.db2.gz SRURJDZSQGLUAP-VURMDHGXSA-N -1 3 372.837 3.956 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1nc(-c2ccccc2)cs1 ZINC000822928272 606391593 /nfs/dbraw/zinc/39/15/93/606391593.db2.gz FYQNTLVGFWSZHX-SOFGYWHQSA-N -1 3 365.443 3.948 20 30 FHEDHM O=C1c2c([nH]c3ccc(F)cc32)CCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823505024 606391797 /nfs/dbraw/zinc/39/17/97/606391797.db2.gz XAVFNHKZHSMZAA-CLFYSBASSA-N -1 3 365.393 3.761 20 30 FHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(C(F)(F)F)cc1 ZINC000822921953 606391867 /nfs/dbraw/zinc/39/18/67/606391867.db2.gz BACIYSNBBIMMJR-FNORWQNLSA-N -1 3 350.325 3.843 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000819854162 606458093 /nfs/dbraw/zinc/45/80/93/606458093.db2.gz AQDOCRRTLFOBDE-CYBMUJFWSA-N -1 3 350.451 3.731 20 30 FHEDHM C[C@H](C#N)CSc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000819854162 606458094 /nfs/dbraw/zinc/45/80/94/606458094.db2.gz AQDOCRRTLFOBDE-CYBMUJFWSA-N -1 3 350.451 3.731 20 30 FHEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccccc1C(C)(C)C#N ZINC000821394838 607132485 /nfs/dbraw/zinc/13/24/85/607132485.db2.gz OHPIKPWCBOXYGH-UHFFFAOYSA-N -1 3 363.421 3.646 20 30 FHEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccccc1C(C)(C)C#N ZINC000821394838 607132487 /nfs/dbraw/zinc/13/24/87/607132487.db2.gz OHPIKPWCBOXYGH-UHFFFAOYSA-N -1 3 363.421 3.646 20 30 FHEDHM O=C1C(=Cc2cnc(C3CCC3)s2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504918 607149641 /nfs/dbraw/zinc/14/96/41/607149641.db2.gz VNODMCRKNNQECY-LCYFTJDESA-N -1 3 363.446 3.803 20 30 FHEDHM O=C1C(=Cc2cnc(C3CCC3)s2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504918 607149642 /nfs/dbraw/zinc/14/96/42/607149642.db2.gz VNODMCRKNNQECY-LCYFTJDESA-N -1 3 363.446 3.803 20 30 FHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(C)c1Cl ZINC000823914145 607854328 /nfs/dbraw/zinc/85/43/28/607854328.db2.gz BMBIDLLGWPALAW-UHFFFAOYSA-N -1 3 367.840 3.657 20 30 FHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(C)c1Cl ZINC000823914145 607854329 /nfs/dbraw/zinc/85/43/29/607854329.db2.gz BMBIDLLGWPALAW-UHFFFAOYSA-N -1 3 367.840 3.657 20 30 FHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826332240 607884803 /nfs/dbraw/zinc/88/48/03/607884803.db2.gz OFDZKZMYCZVNGT-OUKQBFOZSA-N -1 3 370.416 3.565 20 30 FHEDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826332240 607884804 /nfs/dbraw/zinc/88/48/04/607884804.db2.gz OFDZKZMYCZVNGT-OUKQBFOZSA-N -1 3 370.416 3.565 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Br)c(F)c1 ZINC000826401812 607885349 /nfs/dbraw/zinc/88/53/49/607885349.db2.gz HIMIPJJGOINWDF-SOFGYWHQSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Br)c(F)c1 ZINC000826401812 607885350 /nfs/dbraw/zinc/88/53/50/607885350.db2.gz HIMIPJJGOINWDF-SOFGYWHQSA-N -1 3 373.185 3.664 20 30 FHEDHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(O[C@H](C)C#N)cc1 ZINC000825352763 607975063 /nfs/dbraw/zinc/97/50/63/607975063.db2.gz QBNFGLWSFWJSEN-CYBMUJFWSA-N -1 3 373.420 3.584 20 30 FHEDHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(O[C@H](C)C#N)cc1 ZINC000825352763 607975064 /nfs/dbraw/zinc/97/50/64/607975064.db2.gz QBNFGLWSFWJSEN-CYBMUJFWSA-N -1 3 373.420 3.584 20 30 FHEDHM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825418186 608091632 /nfs/dbraw/zinc/09/16/32/608091632.db2.gz YFTJXHPQMYKABZ-JXMROGBWSA-N -1 3 353.451 3.671 20 30 FHEDHM N#Cc1c(Cl)cccc1SCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826383057 608207564 /nfs/dbraw/zinc/20/75/64/608207564.db2.gz IOCKHWCVNHOUGR-UHFFFAOYSA-N -1 3 357.826 3.563 20 30 FHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC(CC2CC2)c2ccccc2)n1 ZINC000826350309 608536704 /nfs/dbraw/zinc/53/67/04/608536704.db2.gz QBBJROUDXSNXRI-UHFFFAOYSA-N -1 3 353.817 3.531 20 30 FHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC(CC2CC2)c2ccccc2)n1 ZINC000826350309 608536705 /nfs/dbraw/zinc/53/67/05/608536705.db2.gz QBBJROUDXSNXRI-UHFFFAOYSA-N -1 3 353.817 3.531 20 30 FHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCC[C@@H]2c2ccccc2)n1 ZINC000826350486 608538206 /nfs/dbraw/zinc/53/82/06/608538206.db2.gz YOOUYOSKOGCEAT-CYBMUJFWSA-N -1 3 353.817 3.651 20 30 FHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCC[C@@H]2c2ccccc2)n1 ZINC000826350486 608538208 /nfs/dbraw/zinc/53/82/08/608538208.db2.gz YOOUYOSKOGCEAT-CYBMUJFWSA-N -1 3 353.817 3.651 20 30 FHEDHM Clc1ccc2c(c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CCC2 ZINC000826352941 608541057 /nfs/dbraw/zinc/54/10/57/608541057.db2.gz UNHMYBZLQMZVCQ-UHFFFAOYSA-N -1 3 374.235 3.721 20 30 FHEDHM Clc1ccc2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCC2 ZINC000826352941 608541058 /nfs/dbraw/zinc/54/10/58/608541058.db2.gz UNHMYBZLQMZVCQ-UHFFFAOYSA-N -1 3 374.235 3.721 20 30 FHEDHM O=C(C=Cc1ncc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000826403311 608878614 /nfs/dbraw/zinc/87/86/14/608878614.db2.gz OOPLFDSINPZIJB-MDZDMXLPSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1ncc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000826403311 608878618 /nfs/dbraw/zinc/87/86/18/608878618.db2.gz OOPLFDSINPZIJB-MDZDMXLPSA-N -1 3 359.414 3.886 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]c2cc(F)ccc12 ZINC000826401250 608881727 /nfs/dbraw/zinc/88/17/27/608881727.db2.gz TVUJHJZQRLIITB-KXFIGUGUSA-N -1 3 351.316 3.522 20 30 FHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]c2cc(F)ccc12 ZINC000826401250 608881729 /nfs/dbraw/zinc/88/17/29/608881729.db2.gz TVUJHJZQRLIITB-KXFIGUGUSA-N -1 3 351.316 3.522 20 30 FHEDHM O=C(C=Cc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400644 609272221 /nfs/dbraw/zinc/27/22/21/609272221.db2.gz DIWJEJYCKSSKBJ-DAXSKMNVSA-N -1 3 373.185 3.664 20 30 FHEDHM O=C(C=Cc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400644 609272223 /nfs/dbraw/zinc/27/22/23/609272223.db2.gz DIWJEJYCKSSKBJ-DAXSKMNVSA-N -1 3 373.185 3.664 20 30 FHEDHM COc1ccc(NN=C(C)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826210615 609448820 /nfs/dbraw/zinc/44/88/20/609448820.db2.gz YBXAPMMFVCHSSN-UHFFFAOYSA-N -1 3 360.780 3.504 20 30 FHEDHM COc1ccc(NN=C(C)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826210615 609448822 /nfs/dbraw/zinc/44/88/22/609448822.db2.gz YBXAPMMFVCHSSN-UHFFFAOYSA-N -1 3 360.780 3.504 20 30 FHEDHM Fc1cccc(Cl)c1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826377533 609472312 /nfs/dbraw/zinc/47/23/12/609472312.db2.gz WAOXDWSORLJPBP-UHFFFAOYSA-N -1 3 351.172 3.759 20 30 FHEDHM Fc1cccc(Cl)c1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826377533 609472315 /nfs/dbraw/zinc/47/23/15/609472315.db2.gz WAOXDWSORLJPBP-UHFFFAOYSA-N -1 3 351.172 3.759 20 30 FHEDHM C#CCCCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000823841639 609507614 /nfs/dbraw/zinc/50/76/14/609507614.db2.gz RHDMUZNQGDHMEH-LBPRGKRZSA-N -1 3 357.483 3.575 20 30 FHEDHM C#CCCCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000823841639 609507615 /nfs/dbraw/zinc/50/76/15/609507615.db2.gz RHDMUZNQGDHMEH-LBPRGKRZSA-N -1 3 357.483 3.575 20 30 FHEDHM C#CCCCCCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000823841037 609525159 /nfs/dbraw/zinc/52/51/59/609525159.db2.gz IBFBHGNRLVXCLJ-UHFFFAOYSA-N -1 3 363.421 3.577 20 30 FHEDHM C#CCCCCCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000823841037 609525162 /nfs/dbraw/zinc/52/51/62/609525162.db2.gz IBFBHGNRLVXCLJ-UHFFFAOYSA-N -1 3 363.421 3.577 20 30 FHEDHM