smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)C=C(CN1CCc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c3C1)CO2 ZINC000012185153 132356167 /nfs/dbraw/zinc/35/61/67/132356167.db2.gz FUUHYYVGNZRROZ-MRXNPFEDSA-N -1 3 422.529 2.849 40 0 HFABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3C[C@H](C)C[C@H](C)C3)[n-]c(=O)c21 ZINC000040388598 521902108 /nfs/dbraw/zinc/90/21/08/521902108.db2.gz XQXLQOPTOBLMDA-IJEWVQPXSA-N -1 3 423.517 2.879 40 0 HFABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399232 523840293 /nfs/dbraw/zinc/84/02/93/523840293.db2.gz ZELHMVMHRPRANM-AWEZNQCLSA-N -1 3 419.441 2.895 40 0 HFABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000040390365 524431587 /nfs/dbraw/zinc/43/15/87/524431587.db2.gz YHFAZMJRHXMLJW-GOEBONIOSA-N -1 3 409.490 2.830 40 0 HFABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2)CC(=O)N3)cc1 ZINC000040399799 524719936 /nfs/dbraw/zinc/71/99/36/524719936.db2.gz ROQYVLJLIDJVBQ-MRXNPFEDSA-N -1 3 419.441 2.895 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000044885427 525216227 /nfs/dbraw/zinc/21/62/27/525216227.db2.gz LEXPQURQGGGEGB-UHFFFAOYSA-N -1 3 411.886 2.813 40 0 HFABHM O=C(Nc1nnc2nc(C=C([O-])c3ccccc3)c(=O)[nH]n21)Nc1ccc(Cl)cc1 ZINC000001612444 557275987 /nfs/dbraw/zinc/27/59/87/557275987.db2.gz QCXXKWCEDLTZBV-UHFFFAOYSA-N -1 3 423.820 2.535 40 0 HFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)c(C)c1 ZINC000408597934 557508092 /nfs/dbraw/zinc/50/80/92/557508092.db2.gz WSHQFMJMGBUIPE-KRWDZBQOSA-N -1 3 418.515 2.730 40 0 HFABHM CCc1cc(=O)[n-]c(NC2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000012113700 558327058 /nfs/dbraw/zinc/32/70/58/558327058.db2.gz VDVCVFJASFLNLD-UHFFFAOYSA-N -1 3 423.439 2.866 40 0 HFABHM Cc1ccc(C([O-])=C2[C@H](c3ccc4c(c3)OCO4)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013427349 558532631 /nfs/dbraw/zinc/53/26/31/558532631.db2.gz HRMXAWGZWPUXLM-GJYPPUQNSA-N -1 3 422.359 2.828 40 0 HFABHM Cc1cc(C(F)F)nn1CC(=O)N1CC[C@@H](c2nc(-c3cccnc3)cc(=O)[n-]2)C1 ZINC000019119139 558842758 /nfs/dbraw/zinc/84/27/58/558842758.db2.gz PNXWJXUCAUZZIM-CQSZACIVSA-N -1 3 414.416 2.703 40 0 HFABHM O=C(c1ccc(F)cc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019332040 558868750 /nfs/dbraw/zinc/86/87/50/558868750.db2.gz PRLKQVCWXVQKNP-IBGZPJMESA-N -1 3 424.476 2.571 40 0 HFABHM O=C(CCn1cccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019406115 558885182 /nfs/dbraw/zinc/88/51/82/558885182.db2.gz IPLGQSSSQVAVMV-FQEVSTJZSA-N -1 3 424.549 2.823 40 0 HFABHM CCOc1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019532796 558912810 /nfs/dbraw/zinc/91/28/10/558912810.db2.gz BHKHECUVBWNDDI-GOSISDBHSA-N -1 3 404.470 2.789 40 0 HFABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cc(F)cc(F)c1 ZINC000071980675 558917376 /nfs/dbraw/zinc/91/73/76/558917376.db2.gz QETNGYSETFWROB-LJQANCHMSA-N -1 3 416.424 2.883 40 0 HFABHM Cc1cc(CN2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cs1 ZINC000019572048 558930507 /nfs/dbraw/zinc/93/05/07/558930507.db2.gz VDZUWCSROUUVSC-QGZVFWFLSA-N -1 3 412.559 2.814 40 0 HFABHM COc1ncccc1-c1cc(=O)[n-]c([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n1 ZINC000019594655 558945379 /nfs/dbraw/zinc/94/53/79/558945379.db2.gz STDCPUBLKNICIK-INIZCTEOSA-N -1 3 420.425 2.547 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000040388972 558947900 /nfs/dbraw/zinc/94/79/00/558947900.db2.gz UWSCUIVHGPZPHJ-DZGCQCFKSA-N -1 3 409.490 2.688 40 0 HFABHM COc1ccc([C@@H](NC(=O)c2cc(C(C)C)nc3c2c(=O)[n-]c(=O)n3C)C2CC2)cc1 ZINC000019714566 558974591 /nfs/dbraw/zinc/97/45/91/558974591.db2.gz VILIDZLWQMGKIB-IBGZPJMESA-N -1 3 422.485 2.635 40 0 HFABHM Cc1[n-]n2c(nc(C(=O)NCC(C)(C)N3CCCCC3)cc2=O)c1-c1ccccc1 ZINC000100780088 559140793 /nfs/dbraw/zinc/14/07/93/559140793.db2.gz KFUQQDOIUZDPKO-UHFFFAOYSA-N -1 3 407.518 2.992 40 0 HFABHM O=C(C1CCCC1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000005769290 560627560 /nfs/dbraw/zinc/62/75/60/560627560.db2.gz FEEBYHDLQYUXQW-UHFFFAOYSA-N -1 3 406.490 2.871 40 0 HFABHM CC(C)(C)C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000005624904 560627796 /nfs/dbraw/zinc/62/77/96/560627796.db2.gz JDBZUYBIRLADNT-CQSZACIVSA-N -1 3 412.469 2.866 40 0 HFABHM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000409389641 560720505 /nfs/dbraw/zinc/72/05/05/560720505.db2.gz HXRJZMFEPYWHKO-UHFFFAOYSA-N -1 3 412.895 2.672 40 0 HFABHM CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000223304797 568544659 /nfs/dbraw/zinc/54/46/59/568544659.db2.gz LYIWIMWPJLDVMZ-UHFFFAOYSA-N -1 3 402.394 2.973 40 0 HFABHM COc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000223882631 568561871 /nfs/dbraw/zinc/56/18/71/568561871.db2.gz AIJDBFJBLNMQFQ-GFCCVEGCSA-N -1 3 418.500 2.839 40 0 HFABHM COc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)cn1 ZINC000225923687 568686483 /nfs/dbraw/zinc/68/64/83/568686483.db2.gz UENMGWVMZHBEHO-UHFFFAOYSA-N -1 3 415.874 2.719 40 0 HFABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000225964088 568689266 /nfs/dbraw/zinc/68/92/66/568689266.db2.gz PTUVINXTKTYHKS-UHFFFAOYSA-N -1 3 415.515 2.865 40 0 HFABHM CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000000955824 568929545 /nfs/dbraw/zinc/92/95/45/568929545.db2.gz AZKNLSOUWLVIKI-ZDUSSCGKSA-N -1 3 409.240 2.607 40 0 HFABHM COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)ccc3[O-])C2=O)o1 ZINC000105702641 569352638 /nfs/dbraw/zinc/35/26/38/569352638.db2.gz RTVCISKJJNCGKK-GHXNOFRVSA-N -1 3 421.203 2.627 40 0 HFABHM COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1OC ZINC000008687050 569389988 /nfs/dbraw/zinc/38/99/88/569389988.db2.gz AVZHFFQLDMDZCV-MDZRGWNJSA-N -1 3 424.375 2.808 40 0 HFABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000040390547 523031441 /nfs/dbraw/zinc/03/14/41/523031441.db2.gz MARWDCIELBFVHS-GJZGRUSLSA-N -1 3 409.490 2.912 40 0 HFABHM CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000408587311 557490518 /nfs/dbraw/zinc/49/05/18/557490518.db2.gz BKYZDADOQNYOFL-LLVKDONJSA-N -1 3 413.293 2.763 40 0 HFABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408592691 557506315 /nfs/dbraw/zinc/50/63/15/557506315.db2.gz LJFLKQNZXDZUGR-ZDUSSCGKSA-N -1 3 412.895 2.671 40 0 HFABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000408597535 557516983 /nfs/dbraw/zinc/51/69/83/557516983.db2.gz XJAQLGUFZXOBRG-INIZCTEOSA-N -1 3 406.504 2.634 40 0 HFABHM O=C(CSCc1nc2c(nnn2Cc2ccc(F)cc2)c(=O)[n-]1)Nc1ccccc1 ZINC000035311686 557687599 /nfs/dbraw/zinc/68/75/99/557687599.db2.gz BCNZFUIRRQMXMU-UHFFFAOYSA-N -1 3 424.461 2.986 40 0 HFABHM O=c1/c(=C/c2cc(Cl)ccc2[O-])sc2nc3cc(Br)cnc3n12 ZINC000408720962 557768699 /nfs/dbraw/zinc/76/86/99/557768699.db2.gz HNTLGFZYYXGHDP-QCDXTXTGSA-N -1 3 408.664 2.973 40 0 HFABHM COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1cccc(Cl)c1)C3 ZINC000019821225 558290593 /nfs/dbraw/zinc/29/05/93/558290593.db2.gz SRPWGCWOSAMBAH-CYBMUJFWSA-N -1 3 413.861 2.687 40 0 HFABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000019937673 558312439 /nfs/dbraw/zinc/31/24/39/558312439.db2.gz BVQLIGFRYWECDL-UHFFFAOYSA-N -1 3 422.916 2.977 40 0 HFABHM CCCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009310 558318739 /nfs/dbraw/zinc/31/87/39/558318739.db2.gz MKEUDGFHGIUHLW-INIZCTEOSA-N -1 3 410.923 2.764 40 0 HFABHM CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)C(C)C)C3)cc(=O)[n-]2)CC1 ZINC000019085240 558841114 /nfs/dbraw/zinc/84/11/14/558841114.db2.gz XQJGXUGJJCDSIJ-KRWDZBQOSA-N -1 3 402.539 2.906 40 0 HFABHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)NCc3ccccc3-n3ccnc3)nc2n1 ZINC000019118873 558842594 /nfs/dbraw/zinc/84/25/94/558842594.db2.gz NFIQWJYLCKYUBM-UHFFFAOYSA-N -1 3 420.498 2.941 40 0 HFABHM Cc1cnc2c(C(=O)N[C@H](Cc3cc(=O)[n-]c(C(C)C)n3)c3ccccc3)cnn2c1 ZINC000019239325 558858077 /nfs/dbraw/zinc/85/80/77/558858077.db2.gz BDCKMXOERVHVEN-LJQANCHMSA-N -1 3 416.485 2.958 40 0 HFABHM O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019293554 558865267 /nfs/dbraw/zinc/86/52/67/558865267.db2.gz MLMBITBOCMAJMZ-LJQANCHMSA-N -1 3 424.476 2.571 40 0 HFABHM O=C(CC1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339345 558871079 /nfs/dbraw/zinc/87/10/79/558871079.db2.gz FSFVJONAWPNLQC-OAQYLSRUSA-N -1 3 421.545 2.967 40 0 HFABHM O=C(C1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1 ZINC000019339474 558871130 /nfs/dbraw/zinc/87/11/30/558871130.db2.gz HUUGJXKXZIJPOG-IBGZPJMESA-N -1 3 421.545 2.619 40 0 HFABHM O=c1cc([C@H]2CCCCN2Cc2ccc(OCCO)cc2)nc(-c2cccnc2)[n-]1 ZINC000019340878 558871622 /nfs/dbraw/zinc/87/16/22/558871622.db2.gz BZZPQXBSEADVJY-OAQYLSRUSA-N -1 3 406.486 2.930 40 0 HFABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)c5cccnc5)CC4)[n-]n3c(=O)c2C1 ZINC000019448155 558886915 /nfs/dbraw/zinc/88/69/15/558886915.db2.gz JSLYUYRLROWBOE-UHFFFAOYSA-N -1 3 420.517 2.616 40 0 HFABHM CCOc1ccccc1C(=O)N1CC[C@H](c2nc(-c3cccnc3OC)cc(=O)[n-]2)C1 ZINC000019520034 558901090 /nfs/dbraw/zinc/90/10/90/558901090.db2.gz WSKAKQXOPGKBJP-HNNXBMFYSA-N -1 3 420.469 2.869 40 0 HFABHM Cc1cc(CN2CCc3c(=O)[n-]c(N4CCCC4)nc3C2)c(C)n1-c1cccnc1 ZINC000019567659 558926764 /nfs/dbraw/zinc/92/67/64/558926764.db2.gz WWVGZPUQVWRAMH-UHFFFAOYSA-N -1 3 404.518 2.731 40 0 HFABHM COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)C4CCC4)C3)[n-]c(=O)c2C1 ZINC000019570572 558929415 /nfs/dbraw/zinc/92/94/15/558929415.db2.gz QNQQOQOKVOAIHW-GOSISDBHSA-N -1 3 422.529 2.865 40 0 HFABHM CN(C(=O)c1c[n-]nc1-c1ccc(CNC(=O)Cn2cccn2)cc1)c1ccccc1 ZINC000019586774 558939621 /nfs/dbraw/zinc/93/96/21/558939621.db2.gz FBKCVRZFRSNHQJ-UHFFFAOYSA-N -1 3 414.469 2.866 40 0 HFABHM COc1ncccc1-c1cc(=O)[n-]c([C@@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2)n1 ZINC000019594686 558945571 /nfs/dbraw/zinc/94/55/71/558945571.db2.gz WICAJSWIKSQNHV-CYBMUJFWSA-N -1 3 412.396 2.748 40 0 HFABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21 ZINC000040388895 558947230 /nfs/dbraw/zinc/94/72/30/558947230.db2.gz GDLMZBDZILZYSW-DZGCQCFKSA-N -1 3 409.490 2.633 40 0 HFABHM O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072377726 558966889 /nfs/dbraw/zinc/96/68/89/558966889.db2.gz LVDJFNCYXJUHKC-CQSZACIVSA-N -1 3 414.466 2.718 40 0 HFABHM COc1ccc(OC)c(C(=O)N2CC[C@@H](c3nc(-c4ccc[nH]c4=O)cc(=O)[n-]3)C2)c1 ZINC000100745116 559139667 /nfs/dbraw/zinc/13/96/67/559139667.db2.gz DLAIGWCWUIQFET-CYBMUJFWSA-N -1 3 422.441 2.597 40 0 HFABHM Cc1sc(C(=O)[N-]c2cc(C(C)(C)C)on2)cc1S(=O)(=O)N1CCOCC1 ZINC000006679846 560633630 /nfs/dbraw/zinc/63/36/30/560633630.db2.gz ZKCVMJAGYAMJIC-UHFFFAOYSA-N -1 3 413.521 2.615 40 0 HFABHM COc1ccc(OC)c(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000409172698 560686756 /nfs/dbraw/zinc/68/67/56/560686756.db2.gz GIYNOEBILUIOPL-UHFFFAOYSA-N -1 3 419.286 2.928 40 0 HFABHM COc1cccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)c1 ZINC000013591899 560817353 /nfs/dbraw/zinc/81/73/53/560817353.db2.gz VVPRMWMJVLAMRK-HDMKZQKVSA-N -1 3 412.339 2.938 40 0 HFABHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000225355995 568631089 /nfs/dbraw/zinc/63/10/89/568631089.db2.gz DQFFPTNEIQQXFJ-LBPRGKRZSA-N -1 3 418.500 2.839 40 0 HFABHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000225355966 568631108 /nfs/dbraw/zinc/63/11/08/568631108.db2.gz DQFFPTNEIQQXFJ-GFCCVEGCSA-N -1 3 418.500 2.839 40 0 HFABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@@H]4CCN(C(=O)[C@H]5C[C@@H]5C)C4)nc3C2)cc1 ZINC000253591487 569318229 /nfs/dbraw/zinc/31/82/29/569318229.db2.gz NXFGXNINQRZKCK-VPWXQRGCSA-N -1 3 422.529 2.721 40 0 HFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)c(C)c2)cc1C ZINC000007362146 569337481 /nfs/dbraw/zinc/33/74/81/569337481.db2.gz IYQVZUHQMAMTIO-UHFFFAOYSA-N -1 3 418.515 2.650 40 0 HFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000139107116 569354337 /nfs/dbraw/zinc/35/43/37/569354337.db2.gz BGPGDASDUQUHRJ-HZPDHXFCSA-N -1 3 409.490 2.912 40 0 HFABHM Cc1nc([N-]c2nccnc2C2CCN(C(=O)/C=C/c3ccnn3C)CC2)sc1C ZINC000585292591 571309911 /nfs/dbraw/zinc/30/99/11/571309911.db2.gz PHODCYGEAGYVEO-SNAWJCMRSA-N -1 3 423.546 3.446 40 0 HFABHM CC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399186 518377711 /nfs/dbraw/zinc/37/77/11/518377711.db2.gz NVBKYZAENFXXLC-INIZCTEOSA-N -1 3 417.425 2.781 40 0 HFABHM COCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 ZINC000019821121 522055322 /nfs/dbraw/zinc/05/53/22/522055322.db2.gz UEUOXEYYIRLFJY-INIZCTEOSA-N -1 3 407.470 2.767 40 0 HFABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388661 524435028 /nfs/dbraw/zinc/43/50/28/524435028.db2.gz XWWYXCLKWNGGRK-UXLLHSPISA-N -1 3 423.517 2.934 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000040388738 525219685 /nfs/dbraw/zinc/21/96/85/525219685.db2.gz WJUWKRBZFYJTDT-LZWOXQAQSA-N -1 3 423.517 2.934 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000408604332 557526073 /nfs/dbraw/zinc/52/60/73/557526073.db2.gz IEDDWRJZSMBETO-LLVKDONJSA-N -1 3 417.314 2.985 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NCc1ccccc1Cl ZINC000408604864 557528102 /nfs/dbraw/zinc/52/81/02/557528102.db2.gz IWWXUSQMRACABX-LLVKDONJSA-N -1 3 417.314 2.985 40 0 HFABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000408703937 557731247 /nfs/dbraw/zinc/73/12/47/557731247.db2.gz WMJCZEXXFSJZPU-UHFFFAOYSA-N -1 3 422.459 2.504 40 0 HFABHM COc1ccc(CNC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)cc1OC ZINC000019937741 558312784 /nfs/dbraw/zinc/31/27/84/558312784.db2.gz VRDVXTRZUBEZSI-UHFFFAOYSA-N -1 3 413.861 2.966 40 0 HFABHM O=C(Nc1cccc2ccccc21)C1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21 ZINC000019961250 558315852 /nfs/dbraw/zinc/31/58/52/558315852.db2.gz SZYZDXSFLRIYFU-HNNXBMFYSA-N -1 3 403.442 2.588 40 0 HFABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1 ZINC000022610059 558501436 /nfs/dbraw/zinc/50/14/36/558501436.db2.gz LEYQKUPKCFDIHC-INIZCTEOSA-N -1 3 409.490 2.633 40 0 HFABHM O=C(CCC1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)C1 ZINC000019014606 558836811 /nfs/dbraw/zinc/83/68/11/558836811.db2.gz ZFTPPCADTYKSFC-QGZVFWFLSA-N -1 3 412.534 2.763 40 0 HFABHM Cc1nc(C[C@H](NS(=O)(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019285399 558859875 /nfs/dbraw/zinc/85/98/75/558859875.db2.gz BXKMNGVMNUAMST-SFHVURJKSA-N -1 3 405.426 2.619 40 0 HFABHM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000052568332 558860510 /nfs/dbraw/zinc/86/05/10/558860510.db2.gz DYVONFGGRFTSSR-UHFFFAOYSA-N -1 3 401.532 2.974 40 0 HFABHM O=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)[n-]c(=O)c2C1 ZINC000019334066 558869176 /nfs/dbraw/zinc/86/91/76/558869176.db2.gz AIBVCCVWSKQOSB-KRWDZBQOSA-N -1 3 410.493 2.583 40 0 HFABHM O=C(CC1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339341 558871034 /nfs/dbraw/zinc/87/10/34/558871034.db2.gz FSFVJONAWPNLQC-NRFANRHFSA-N -1 3 421.545 2.967 40 0 HFABHM CC(C)[C@H](NC(=O)c1ccc(F)c(Cl)c1)c1cc(=O)[n-]c(N2CCOCC2)n1 ZINC000019445537 558885708 /nfs/dbraw/zinc/88/57/08/558885708.db2.gz ZYHKWVXPFQMTNZ-KRWDZBQOSA-N -1 3 408.861 2.526 40 0 HFABHM CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)CCc3ccccc3)[n-]c2=O)C1 ZINC000019499104 558897344 /nfs/dbraw/zinc/89/73/44/558897344.db2.gz ZWFBJEOHVCTWNX-HXUWFJFHSA-N -1 3 422.529 2.751 40 0 HFABHM CCOc1ccc(CN2CCc3nc(-c4cnc(C)cn4)[n-]c(=O)c3C2)cc1OC ZINC000019533883 558913413 /nfs/dbraw/zinc/91/34/13/558913413.db2.gz GFYKXQHIKCSOLM-UHFFFAOYSA-N -1 3 407.474 2.501 40 0 HFABHM CCOc1ccc(CN2CCc3c(nc(N4CCC(C)CC4)[n-]c3=O)C2)cc1OC ZINC000019533896 558913426 /nfs/dbraw/zinc/91/34/26/558913426.db2.gz GSJGJAKEPLZNIB-UHFFFAOYSA-N -1 3 412.534 2.972 40 0 HFABHM COc1ccc(OCC(=O)N2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[n-]2)cc1 ZINC000019556759 558919084 /nfs/dbraw/zinc/91/90/84/558919084.db2.gz JZHDUKRDHUEPGR-LJQANCHMSA-N -1 3 406.442 2.583 40 0 HFABHM Cc1oc2c(c1C(=O)N1CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C1)CCCC2 ZINC000019581216 558936893 /nfs/dbraw/zinc/93/68/93/558936893.db2.gz SHLLAJPWKTVSSW-OAHLLOKOSA-N -1 3 410.518 2.970 40 0 HFABHM Cc1cccc(C)c1NC(=O)CN1CCC(Nc2nc(C(F)(F)F)cc(=O)[n-]2)CC1 ZINC000072342164 558940245 /nfs/dbraw/zinc/94/02/45/558940245.db2.gz AOPBDIDFVKXNOJ-UHFFFAOYSA-N -1 3 423.439 2.921 40 0 HFABHM C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000072399048 558976511 /nfs/dbraw/zinc/97/65/11/558976511.db2.gz GYIXNGBNPZDIMQ-VYDXJSESSA-N -1 3 412.559 2.752 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000052410948 560645388 /nfs/dbraw/zinc/64/53/88/560645388.db2.gz NLWPYYWDRFPRNT-UHFFFAOYSA-N -1 3 401.488 2.937 40 0 HFABHM COc1cc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)cc(Cl)c1[O-] ZINC000409209454 560694147 /nfs/dbraw/zinc/69/41/47/560694147.db2.gz FNLOZJNZRBQJAC-AUWJEWJLSA-N -1 3 422.846 3.000 40 0 HFABHM COc1ccc([C@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000013109391 560800034 /nfs/dbraw/zinc/80/00/34/560800034.db2.gz HJJKDLIBRIGVBH-HDMKZQKVSA-N -1 3 410.417 2.964 40 0 HFABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3cccc(C)c3)n2)cc1OC ZINC000223625833 568553775 /nfs/dbraw/zinc/55/37/75/568553775.db2.gz FZWGERKODYDOIW-UHFFFAOYSA-N -1 3 403.460 2.682 40 0 HFABHM Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)C2)n1 ZINC000257260907 568793036 /nfs/dbraw/zinc/79/30/36/568793036.db2.gz LEZINUBYACJUHE-IEBWSBKVSA-N -1 3 406.486 2.751 40 0 HFABHM CN(C)CC(=O)N1CCC(c2ccnc([N-]c3ncccc3C(F)(F)F)n2)CC1 ZINC000257316771 568809191 /nfs/dbraw/zinc/80/91/91/568809191.db2.gz VGYPXYRPJPQKEL-UHFFFAOYSA-N -1 3 408.428 2.902 40 0 HFABHM COc1ccc(C([O-])=C2[C@H](c3ccccc3OC)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013427385 569326734 /nfs/dbraw/zinc/32/67/34/569326734.db2.gz LGAGAQGJDZRIPH-GJYPPUQNSA-N -1 3 424.375 2.808 40 0 HFABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 ZINC000007360808 569337245 /nfs/dbraw/zinc/33/72/45/569337245.db2.gz DQWQMUVBZVVNSP-UHFFFAOYSA-N -1 3 418.515 2.839 40 0 HFABHM CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1[O-] ZINC000108225180 569353498 /nfs/dbraw/zinc/35/34/98/569353498.db2.gz RHPLPMKLCZXIQR-QPEQYQDCSA-N -1 3 420.805 2.917 40 0 HFABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399182 521547922 /nfs/dbraw/zinc/54/79/22/521547922.db2.gz IDABMMSXIDRHER-AWEZNQCLSA-N -1 3 419.441 2.977 40 0 HFABHM CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408593191 557507036 /nfs/dbraw/zinc/50/70/36/557507036.db2.gz LUNUJIBHJXGJRR-LLVKDONJSA-N -1 3 413.293 2.763 40 0 HFABHM COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(Cl)cc1)C3 ZINC000019821147 558290598 /nfs/dbraw/zinc/29/05/98/558290598.db2.gz KSVIUTZBEYRUAA-ZDUSSCGKSA-N -1 3 413.861 2.687 40 0 HFABHM CCc1nc2c(nnn2[C@H]2CCCN(C(=O)C3(c4ccc(C)cc4)CC3)C2)c(=O)[n-]1 ZINC000012119475 558330222 /nfs/dbraw/zinc/33/02/22/558330222.db2.gz BZHKWOGNZNUWAA-INIZCTEOSA-N -1 3 406.490 2.693 40 0 HFABHM COCc1nc(N2CCN(Cc3ccccc3)CC2)[n-]c(=O)c1Cc1ccccc1 ZINC000022448581 558489998 /nfs/dbraw/zinc/48/99/98/558489998.db2.gz RNGIAXSBBNIJOJ-UHFFFAOYSA-N -1 3 404.514 2.829 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828364 558815787 /nfs/dbraw/zinc/81/57/87/558815787.db2.gz JMCYZXCSIDKDDH-LZWOXQAQSA-N -1 3 409.490 2.910 40 0 HFABHM C[C@@H](C(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[n-]2)CC1)N1CCCC1=O ZINC000019077875 558838518 /nfs/dbraw/zinc/83/85/18/558838518.db2.gz NXRAESPXAJQXDG-AWEZNQCLSA-N -1 3 414.531 2.703 40 0 HFABHM Cc1ccc(CC(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCC3)C4)C2)cc1 ZINC000019209291 558847849 /nfs/dbraw/zinc/84/78/49/558847849.db2.gz RIBHYTRHUWQAQW-IBGZPJMESA-N -1 3 420.557 2.938 40 0 HFABHM Cc1ccc(O[C@H](C)C(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019210800 558848269 /nfs/dbraw/zinc/84/82/69/558848269.db2.gz AARNMGCETQATEY-AEFFLSMTSA-N -1 3 404.470 2.924 40 0 HFABHM Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019210798 558848298 /nfs/dbraw/zinc/84/82/98/558848298.db2.gz AARNMGCETQATEY-FUHWJXTLSA-N -1 3 404.470 2.924 40 0 HFABHM Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019210795 558848374 /nfs/dbraw/zinc/84/83/74/558848374.db2.gz AARNMGCETQATEY-SJLPKXTDSA-N -1 3 404.470 2.924 40 0 HFABHM Cc1nc(C[C@H](NC(=O)Cn2nnc3ccccc32)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000019285307 558859797 /nfs/dbraw/zinc/85/97/97/558859797.db2.gz CUHHFTGVOORGCF-SFHVURJKSA-N -1 3 422.876 2.577 40 0 HFABHM O=C(N[C@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1)c1ccno1 ZINC000019332569 558868984 /nfs/dbraw/zinc/86/89/84/558868984.db2.gz XEJVQQUVQSKMQY-QGZVFWFLSA-N -1 3 405.389 2.673 40 0 HFABHM O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339297 558871026 /nfs/dbraw/zinc/87/10/26/558871026.db2.gz IQLXDQZMZBBSFA-GHTZIAJQSA-N -1 3 419.529 2.743 40 0 HFABHM CCc1c(C)nc([C@H]2CCCN2C(=O)Cc2cc(OC)c(OC)c(OC)c2)[n-]c1=O ZINC000019521581 558902877 /nfs/dbraw/zinc/90/28/77/558902877.db2.gz VGLZJFZGUFOUCH-MRXNPFEDSA-N -1 3 415.490 2.573 40 0 HFABHM COc1cc(CCC(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)on1 ZINC000019550434 558915184 /nfs/dbraw/zinc/91/51/84/558915184.db2.gz VKLKFSOOCUXANZ-CYBMUJFWSA-N -1 3 414.487 2.834 40 0 HFABHM CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000071980358 558917201 /nfs/dbraw/zinc/91/72/01/558917201.db2.gz HUWRCGBTSGZYAK-OAHLLOKOSA-N -1 3 400.397 2.833 40 0 HFABHM COc1cccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c1 ZINC000019564128 558924326 /nfs/dbraw/zinc/92/43/26/558924326.db2.gz RXVJEVOSPASKGM-UHFFFAOYSA-N -1 3 410.499 2.851 40 0 HFABHM C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[n-]c(N3CCC(C)CC3)nc2C1 ZINC000072335640 558936925 /nfs/dbraw/zinc/93/69/25/558936925.db2.gz GANMBCCQHXABJQ-QGZVFWFLSA-N -1 3 424.545 2.972 40 0 HFABHM COc1ccc(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)cc1 ZINC000019590238 558940836 /nfs/dbraw/zinc/94/08/36/558940836.db2.gz YKGTUVIVSCFHIL-KRWDZBQOSA-N -1 3 410.518 2.518 40 0 HFABHM CO[C@@H]1CCC[C@H](C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)C1 ZINC000019592601 558943490 /nfs/dbraw/zinc/94/34/90/558943490.db2.gz YPIGPVNHSOXMSG-LSDHHAIUSA-N -1 3 402.520 2.805 40 0 HFABHM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2C)c1 ZINC000061497215 558945325 /nfs/dbraw/zinc/94/53/25/558945325.db2.gz XPMMURIOSYHKAM-UHFFFAOYSA-N -1 3 401.532 2.928 40 0 HFABHM O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1cncc([N-]c2ncccn2)n1 ZINC000072376283 558965423 /nfs/dbraw/zinc/96/54/23/558965423.db2.gz APRVBCPKKAXGAV-INIZCTEOSA-N -1 3 400.439 2.675 40 0 HFABHM CC(C)c1cc(C(=O)NCC(C)(C)c2ccc(F)cc2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000019714541 558974630 /nfs/dbraw/zinc/97/46/30/558974630.db2.gz UNUFAARWXJGMDG-UHFFFAOYSA-N -1 3 412.465 2.592 40 0 HFABHM COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)c(Cl)c1[O-] ZINC000016606818 559078892 /nfs/dbraw/zinc/07/88/92/559078892.db2.gz TYHYGQQIXHCAAB-QGZVFWFLSA-N -1 3 401.850 2.999 40 0 HFABHM COc1ccccc1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409392250 560719074 /nfs/dbraw/zinc/71/90/74/560719074.db2.gz QNYOTKNYQSREFE-NSHDSACASA-N -1 3 417.314 2.985 40 0 HFABHM Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)c1 ZINC000219221106 568488035 /nfs/dbraw/zinc/48/80/35/568488035.db2.gz PLCANWFWKAWRMQ-UHFFFAOYSA-N -1 3 412.471 2.650 40 0 HFABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223054888 568535910 /nfs/dbraw/zinc/53/59/10/568535910.db2.gz SDFAVGABCCOYIY-UKRRQHHQSA-N -1 3 409.490 2.688 40 0 HFABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3C)n2)cc1OC ZINC000223625018 568553756 /nfs/dbraw/zinc/55/37/56/568553756.db2.gz PMKWCPBNYITNQN-UHFFFAOYSA-N -1 3 403.460 2.682 40 0 HFABHM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000223677590 568555823 /nfs/dbraw/zinc/55/58/23/568555823.db2.gz CDPXZGIPZVUWBY-UHFFFAOYSA-N -1 3 406.504 2.978 40 0 HFABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3c(C)cc(OC)cc3C)n2)cc1 ZINC000224391504 568580038 /nfs/dbraw/zinc/58/00/38/568580038.db2.gz VFPCERGNCVHZLN-UHFFFAOYSA-N -1 3 403.460 2.849 40 0 HFABHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000225146515 568617587 /nfs/dbraw/zinc/61/75/87/568617587.db2.gz AHJWJOWYCRQIPL-UHFFFAOYSA-N -1 3 412.537 2.788 40 0 HFABHM Cc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000225175304 568620616 /nfs/dbraw/zinc/62/06/16/568620616.db2.gz IRVPLTUBTONSRN-UHFFFAOYSA-N -1 3 402.501 2.886 40 0 HFABHM CCC1(CC)C[C@@H]([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c2ccccc2O1 ZINC000225535491 568648567 /nfs/dbraw/zinc/64/85/67/568648567.db2.gz JRPBRCUSZCRYAE-CYBMUJFWSA-N -1 3 410.521 2.857 40 0 HFABHM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc([N-]c3ncccn3)n2)cc1F ZINC000257210041 568779014 /nfs/dbraw/zinc/77/90/14/568779014.db2.gz BSWQGJWYBHKCBR-QGZVFWFLSA-N -1 3 414.466 2.984 40 0 HFABHM COc1cc(Br)cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1[O-] ZINC000257230471 568784965 /nfs/dbraw/zinc/78/49/65/568784965.db2.gz GCMWUINRMUOQJE-UHFFFAOYSA-N -1 3 400.250 2.819 40 0 HFABHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1CCc1cc(=O)[n-]c(N)n1 ZINC000257250832 568790572 /nfs/dbraw/zinc/79/05/72/568790572.db2.gz JOEFYEDWFGGUIZ-AEFFLSMTSA-N -1 3 413.522 2.722 40 0 HFABHM Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)C2)n1 ZINC000257260908 568793066 /nfs/dbraw/zinc/79/30/66/568793066.db2.gz LEZINUBYACJUHE-MJGOQNOKSA-N -1 3 406.486 2.751 40 0 HFABHM CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc([O-])c2C(=O)N2CCC(F)(F)CC2)[C@@H]1O ZINC000257291421 568801864 /nfs/dbraw/zinc/80/18/64/568801864.db2.gz QGWWAZXJVDRWQC-MOAWAHSFSA-N -1 3 423.456 2.855 40 0 HFABHM CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000000955825 568929547 /nfs/dbraw/zinc/92/95/47/568929547.db2.gz AZKNLSOUWLVIKI-CYBMUJFWSA-N -1 3 409.240 2.607 40 0 HFABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@@H]4CCN(C(=O)[C@@H]5C[C@H]5C)C4)nc3C2)cc1 ZINC000253591492 569318177 /nfs/dbraw/zinc/31/81/77/569318177.db2.gz NXFGXNINQRZKCK-WRWLIDTKSA-N -1 3 422.529 2.721 40 0 HFABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000007362172 569337478 /nfs/dbraw/zinc/33/74/78/569337478.db2.gz DDASJMHERQPDDC-QGZVFWFLSA-N -1 3 420.531 2.943 40 0 HFABHM C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019463271 569345547 /nfs/dbraw/zinc/34/55/47/569345547.db2.gz GYIXNGBNPZDIMQ-BFYDXBDKSA-N -1 3 412.559 2.752 40 0 HFABHM Cc1nc([N-]c2nccnc2[C@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)sc1C ZINC000585293099 571309938 /nfs/dbraw/zinc/30/99/38/571309938.db2.gz WVGKMIXMYHGLNN-MOEXGYKKSA-N -1 3 423.546 3.446 40 0 HFABHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)ccc21 ZINC000007323321 132323785 /nfs/dbraw/zinc/32/37/85/132323785.db2.gz LTYAMCZWNHQBFH-UHFFFAOYSA-N -1 3 415.515 2.623 40 0 HFABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000040389000 523987784 /nfs/dbraw/zinc/98/77/84/523987784.db2.gz JFEZAJHHMSNVMM-XJKSGUPXSA-N -1 3 409.490 2.776 40 0 HFABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2)CC(=O)N3)cc1 ZINC000040399795 524719704 /nfs/dbraw/zinc/71/97/04/524719704.db2.gz CHMSSAQVOUHPJA-HNNXBMFYSA-N -1 3 405.414 2.587 40 0 HFABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)c1 ZINC000408589876 557499617 /nfs/dbraw/zinc/49/96/17/557499617.db2.gz FYAGYKFOWJKNJB-QGZVFWFLSA-N -1 3 418.515 2.730 40 0 HFABHM COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408594944 557512515 /nfs/dbraw/zinc/51/25/15/557512515.db2.gz RJRCGRWFRQUDNC-UHFFFAOYSA-N -1 3 412.895 2.591 40 0 HFABHM Cc1cccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)c1C ZINC000408595621 557513248 /nfs/dbraw/zinc/51/32/48/557513248.db2.gz QXPVQALMUFDGBZ-KRWDZBQOSA-N -1 3 418.515 2.730 40 0 HFABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NC[C@H]1CCCO1 ZINC000408675267 557676801 /nfs/dbraw/zinc/67/68/01/557676801.db2.gz GZKHBWPWSYEYOE-QGZVFWFLSA-N -1 3 422.478 2.609 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c(C)c1 ZINC000022610372 558501647 /nfs/dbraw/zinc/50/16/47/558501647.db2.gz HKEOMYVRPOXAMF-HNNXBMFYSA-N -1 3 409.490 2.688 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828362 558815753 /nfs/dbraw/zinc/81/57/53/558815753.db2.gz JMCYZXCSIDKDDH-IJEWVQPXSA-N -1 3 409.490 2.910 40 0 HFABHM COc1ccc(CN2CCc3nc([C@@H]4CCN(C(=O)C(C)(C)C)C4)[n-]c(=O)c3C2)cc1 ZINC000019081062 558839296 /nfs/dbraw/zinc/83/92/96/558839296.db2.gz DLWBEZBZMRTNSR-QGZVFWFLSA-N -1 3 424.545 2.699 40 0 HFABHM CC(=O)N1CCc2c(nc([C@H]3CCN(C(=O)[C@@H](C)c4ccc(C)cc4)C3)[n-]c2=O)C1 ZINC000019135690 558846130 /nfs/dbraw/zinc/84/61/30/558846130.db2.gz MRIKDXFWAQTPMQ-YJBOKZPZSA-N -1 3 408.502 2.515 40 0 HFABHM Cc1ccc(CC(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCC3)C4)C2)cc1 ZINC000019209289 558847870 /nfs/dbraw/zinc/84/78/70/558847870.db2.gz RIBHYTRHUWQAQW-LJQANCHMSA-N -1 3 420.557 2.938 40 0 HFABHM Cc1nc(C[C@@H](NC(=O)Cn2nnc3ccccc32)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000019285306 558859774 /nfs/dbraw/zinc/85/97/74/558859774.db2.gz CUHHFTGVOORGCF-GOSISDBHSA-N -1 3 422.876 2.577 40 0 HFABHM O=C(C1CCC1)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019343593 558872446 /nfs/dbraw/zinc/87/24/46/558872446.db2.gz QHQZHQZGVRGQGY-MRXNPFEDSA-N -1 3 412.559 2.896 40 0 HFABHM O=C(CCCN1CCCC1=O)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019406632 558885194 /nfs/dbraw/zinc/88/51/94/558885194.db2.gz QVECHVXDWHYVHT-KRWDZBQOSA-N -1 3 414.531 2.955 40 0 HFABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)c5ccncc5)CC4)[n-]n3c(=O)c2C1 ZINC000019448157 558887078 /nfs/dbraw/zinc/88/70/78/558887078.db2.gz ICNMREJUUXZCDG-UHFFFAOYSA-N -1 3 420.517 2.616 40 0 HFABHM CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCN3Cc3ccc(OC(C)C)cc3)nc2C1 ZINC000019450644 558889131 /nfs/dbraw/zinc/88/91/31/558889131.db2.gz XEYUXBVASXOCOL-NRFANRHFSA-N -1 3 410.518 2.799 40 0 HFABHM C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019463347 558894305 /nfs/dbraw/zinc/89/43/05/558894305.db2.gz ULFOUKLGNKCACO-AKCHCHLHSA-N -1 3 410.493 2.787 40 0 HFABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(CC2=Cc4ccccc4OC2)C3)C[C@@H](C)O1 ZINC000019497571 558896356 /nfs/dbraw/zinc/89/63/56/558896356.db2.gz MRXOEPRHXRXYEB-HZPDHXFCSA-N -1 3 408.502 2.630 40 0 HFABHM CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccccc3)[n-]c2=O)C1 ZINC000019501656 558899698 /nfs/dbraw/zinc/89/96/98/558899698.db2.gz INIOCKTUONMIDH-FQEVSTJZSA-N -1 3 422.529 2.751 40 0 HFABHM CCc1cc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H](c3cc(=O)[n-]c(C)n3)C2)on1 ZINC000019522757 558904015 /nfs/dbraw/zinc/90/40/15/558904015.db2.gz XSONYPFPJOJLSJ-ZWKOTPCHSA-N -1 3 408.458 2.661 40 0 HFABHM CC(C)(C)[C@@H]1CCc2noc(C3CCN(C(=O)CC[C@H]4NC(=O)[N-]C4=O)CC3)c2C1 ZINC000072392410 558972091 /nfs/dbraw/zinc/97/20/91/558972091.db2.gz RLINUKSQUZVUGV-RHSMWYFYSA-N -1 3 416.522 2.520 40 0 HFABHM C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000072399050 558976578 /nfs/dbraw/zinc/97/65/78/558976578.db2.gz GYIXNGBNPZDIMQ-HLLBOEOZSA-N -1 3 412.559 2.752 40 0 HFABHM CCc1cc(C(=O)N2CCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CCN(C(C)C)C4)on1 ZINC000100234309 559132883 /nfs/dbraw/zinc/13/28/83/559132883.db2.gz WINPYMROPKTFIR-SFHVURJKSA-N -1 3 424.505 2.729 40 0 HFABHM Cc1ccc(C)c(Cn2nnc3c2nc([C@H]2CCCN(C(=O)C4CCC4)C2)[n-]c3=O)c1 ZINC000004861922 560614073 /nfs/dbraw/zinc/61/40/73/560614073.db2.gz VEGYIWFLUWTOOI-KRWDZBQOSA-N -1 3 420.517 2.686 40 0 HFABHM CCCc1nc2sc(C)c(C)c2c(SCC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)n1 ZINC000004885916 560614829 /nfs/dbraw/zinc/61/48/29/560614829.db2.gz GWFJPMLINMBUDG-UHFFFAOYSA-N -1 3 419.532 2.676 40 0 HFABHM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000006213745 560740331 /nfs/dbraw/zinc/74/03/31/560740331.db2.gz IJXWCHBAXKPOFQ-UHFFFAOYSA-N -1 3 406.504 2.717 40 0 HFABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223051524 568535757 /nfs/dbraw/zinc/53/57/57/568535757.db2.gz 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CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(C)c1)CC(=O)N2 ZINC000040390495 523032415 /nfs/dbraw/zinc/03/24/15/523032415.db2.gz NTKIWXFWSVKXBW-HOTGVXAUSA-N -1 3 409.490 2.912 40 0 HFABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388679 524156317 /nfs/dbraw/zinc/15/63/17/524156317.db2.gz XQWQKVRPWPSOJF-LZWOXQAQSA-N -1 3 423.517 2.934 40 0 HFABHM COc1ccc(OC[C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000020106377 524967533 /nfs/dbraw/zinc/96/75/33/524967533.db2.gz OCEZUOBRUAANEX-GFCCVEGCSA-N -1 3 412.895 2.917 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)cc1C ZINC000040388612 525199812 /nfs/dbraw/zinc/19/98/12/525199812.db2.gz CNLCZLOPXXTXQA-IIYDPXPESA-N -1 3 423.517 2.934 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c(C)c1 ZINC000040390411 525219532 /nfs/dbraw/zinc/21/95/32/525219532.db2.gz KLIKKXGWJIKHGT-GJZGRUSLSA-N -1 3 409.490 2.830 40 0 HFABHM COc1cc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)cc(Br)c1[O-] ZINC000000940420 557121344 /nfs/dbraw/zinc/12/13/44/557121344.db2.gz NKIYBJBBJHTCNN-AWEZNQCLSA-N -1 3 423.267 2.995 40 0 HFABHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cc1 ZINC000408590595 557501848 /nfs/dbraw/zinc/50/18/48/557501848.db2.gz JXWOWGUIWQUSHG-AWEZNQCLSA-N -1 3 419.503 2.738 40 0 HFABHM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(=O)N1CCOCC1 ZINC000408593174 557507031 /nfs/dbraw/zinc/50/70/31/557507031.db2.gz LTVOAVCJEAUJON-CQSZACIVSA-N -1 3 424.906 2.767 40 0 HFABHM CCS(=O)(=O)N(C)c1ccc(C(=O)[N-]C2=S=C(c3ccc(C)cc3)N=N2)cc1 ZINC000408717951 557760437 /nfs/dbraw/zinc/76/04/37/557760437.db2.gz AIYOLZGNSTWTBC-UHFFFAOYSA-N -1 3 416.528 2.975 40 0 HFABHM Cc1nc(NC2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)[n-]c(=O)c1C ZINC000012113674 558327116 /nfs/dbraw/zinc/32/71/16/558327116.db2.gz ZSFVVAWGFBPNHU-UHFFFAOYSA-N -1 3 423.439 2.921 40 0 HFABHM CN(C)c1ccc(C(=O)N2CCC(Nc3nc(C(F)(F)F)cc(=O)[n-]3)CC2)cc1 ZINC000012114044 558327253 /nfs/dbraw/zinc/32/72/53/558327253.db2.gz LZPGTMIXOPIHQL-UHFFFAOYSA-N -1 3 409.412 2.571 40 0 HFABHM CCc1c(C)nc(NC2CCN(C(=O)C3(c4ccc(OC)cc4)CC3)CC2)[n-]c1=O ZINC000012114050 558327289 /nfs/dbraw/zinc/32/72/89/558327289.db2.gz DWSMAQBNNPRACC-UHFFFAOYSA-N -1 3 410.518 2.784 40 0 HFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1OC ZINC000020106057 558333492 /nfs/dbraw/zinc/33/34/92/558333492.db2.gz ADXVZABGKNFXQD-UHFFFAOYSA-N -1 3 406.460 2.640 40 0 HFABHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2C)cc1 ZINC000023421779 558557886 /nfs/dbraw/zinc/55/78/86/558557886.db2.gz VFPBOFNQHUVNHS-UHFFFAOYSA-N -1 3 401.532 2.928 40 0 HFABHM Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN(C(=O)C5CC5)C4)[n-]c(=O)c3C2)cc1 ZINC000019135499 558846051 /nfs/dbraw/zinc/84/60/51/558846051.db2.gz IKBRFCBDEQEUNZ-SFHVURJKSA-N -1 3 420.513 2.805 40 0 HFABHM Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN(C(=O)C5CC5)C4)[n-]c(=O)c3C2)cc1 ZINC000019135496 558846081 /nfs/dbraw/zinc/84/60/81/558846081.db2.gz IKBRFCBDEQEUNZ-GOSISDBHSA-N -1 3 420.513 2.805 40 0 HFABHM COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCN(C(=O)Cc3ccc(C)cc3)C2)n1 ZINC000019209279 558847914 /nfs/dbraw/zinc/84/79/14/558847914.db2.gz PQVDKELEZBNVEG-KRWDZBQOSA-N -1 3 404.470 2.708 40 0 HFABHM CC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@@H](C)c3ccccc3)[n-]c2=O)C1 ZINC000019459272 558892971 /nfs/dbraw/zinc/89/29/71/558892971.db2.gz KPINWNCYSXVQQU-YWZLYKJASA-N -1 3 408.502 2.532 40 0 HFABHM CCS(=O)(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1sccc1C)CC2 ZINC000019520323 558901300 /nfs/dbraw/zinc/90/13/00/558901300.db2.gz XIZJWASBQWPCHO-MRXNPFEDSA-N -1 3 422.576 2.597 40 0 HFABHM CCn1cc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCCC3)C4)C2)cn1 ZINC000019524857 558906023 /nfs/dbraw/zinc/90/60/23/558906023.db2.gz GLKDNCOHXIMQKZ-MRXNPFEDSA-N -1 3 424.549 2.719 40 0 HFABHM CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc(Br)c1 ZINC000071980336 558917198 /nfs/dbraw/zinc/91/71/98/558917198.db2.gz LFZOXEUPSOOWBK-OAHLLOKOSA-N -1 3 411.296 2.577 40 0 HFABHM COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)C4CC4)[n-]c(=O)c3C2)cc1 ZINC000019555490 558918293 /nfs/dbraw/zinc/91/82/93/558918293.db2.gz LTYCBBZAWBDMNY-FQEVSTJZSA-N -1 3 408.502 2.823 40 0 HFABHM COc1ccccc1N1C[C@@H](c2cc(=O)[n-]c(N(C)CCc3ccccc3)n2)CC1=O ZINC000019586235 558939371 /nfs/dbraw/zinc/93/93/71/558939371.db2.gz VYHFHOJHVJXAIE-SFHVURJKSA-N -1 3 418.497 2.978 40 0 HFABHM CO[C@H]1CCC[C@@H](C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)C1 ZINC000019592600 558943532 /nfs/dbraw/zinc/94/35/32/558943532.db2.gz YPIGPVNHSOXMSG-CABCVRRESA-N -1 3 402.520 2.805 40 0 HFABHM COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccsc1)C2 ZINC000019593168 558943990 /nfs/dbraw/zinc/94/39/90/558943990.db2.gz AFKPOZLQVQAGIE-GOSISDBHSA-N -1 3 416.547 2.892 40 0 HFABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@H]4CCN(C(=O)[C@H]5C[C@@H]5C)C4)nc3C2)cc1 ZINC000072399132 558976449 /nfs/dbraw/zinc/97/64/49/558976449.db2.gz NXFGXNINQRZKCK-KNBMTAEXSA-N -1 3 422.529 2.721 40 0 HFABHM COc1nn(Cc2cc(=O)[n-]c(N[C@@H]3CCc4ccccc43)n2)c(=O)c2ccccc21 ZINC000019717566 558980256 /nfs/dbraw/zinc/98/02/56/558980256.db2.gz QXTWRXOMFXTCGV-LJQANCHMSA-N -1 3 415.453 2.636 40 0 HFABHM COc1cccc(CNc2nc([C@H](C)n3ncc4ccccc4c3=O)cc(=O)[n-]2)c1 ZINC000019717530 558980302 /nfs/dbraw/zinc/98/03/02/558980302.db2.gz RCUFXRNQEFNWBT-AWEZNQCLSA-N -1 3 403.442 2.710 40 0 HFABHM O=C(COC(=O)c1ccc([O-])cc1O)N=c1sccn1Cc1ccccc1Cl ZINC000023078753 558999367 /nfs/dbraw/zinc/99/93/67/558999367.db2.gz WZJUTGHQYHACTB-XUTLUUPISA-N -1 3 418.858 2.947 40 0 HFABHM O=C(C[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)NCCc1cccs1 ZINC000585095891 559023336 /nfs/dbraw/zinc/02/33/36/559023336.db2.gz SKKVSGAMVPHSJS-QGZVFWFLSA-N -1 3 410.499 2.596 40 0 HFABHM O=C(C[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)NCCc1cccs1 ZINC000585095890 559023361 /nfs/dbraw/zinc/02/33/61/559023361.db2.gz SKKVSGAMVPHSJS-KRWDZBQOSA-N -1 3 410.499 2.596 40 0 HFABHM Cc1nc(COC[C@@H]2CCN(C)C3(CN(C(=O)c4cccc([O-])c4)C3)C2)cs1 ZINC000575403135 560546898 /nfs/dbraw/zinc/54/68/98/560546898.db2.gz IWNDKTVUSYTOKE-MRXNPFEDSA-N -1 3 401.532 2.910 40 0 HFABHM COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1O ZINC000001464496 560558074 /nfs/dbraw/zinc/55/80/74/560558074.db2.gz QPBZUNMZVMIAIG-DAYGRLMNSA-N -1 3 410.348 2.505 40 0 HFABHM Cc1sc2nc(C(C)C)nc(SCC(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)c2c1C ZINC000004885920 560614794 /nfs/dbraw/zinc/61/47/94/560614794.db2.gz TWTWWSFRDBSCOX-UHFFFAOYSA-N -1 3 419.532 2.847 40 0 HFABHM COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1[O-] ZINC000409210156 560694702 /nfs/dbraw/zinc/69/47/02/560694702.db2.gz IIPCDKHNIGUZLD-VGOFMYFVSA-N -1 3 419.796 2.725 40 0 HFABHM COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000004144345 560893102 /nfs/dbraw/zinc/89/31/02/560893102.db2.gz JLYNOMVNFPMSSJ-RKVPGOIHSA-N -1 3 412.339 2.938 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)c(Cl)c1 ZINC000216418786 568465155 /nfs/dbraw/zinc/46/51/55/568465155.db2.gz DULLEGPSQAEPQP-UHFFFAOYSA-N -1 3 411.886 2.813 40 0 HFABHM Cc1ccc(-c2noc(CNC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)n2)cc1 ZINC000219287220 568489061 /nfs/dbraw/zinc/48/90/61/568489061.db2.gz YTYPZRSNAOBINJ-UHFFFAOYSA-N -1 3 420.878 3.000 40 0 HFABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223054806 568535865 /nfs/dbraw/zinc/53/58/65/568535865.db2.gz CIPBPHWACJXDSD-WBMJQRKESA-N -1 3 409.490 2.688 40 0 HFABHM COc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000224637234 568589930 /nfs/dbraw/zinc/58/99/30/568589930.db2.gz CMWKRBMDNNNFHZ-UHFFFAOYSA-N -1 3 418.500 2.586 40 0 HFABHM CSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)s1 ZINC000224851465 568600503 /nfs/dbraw/zinc/60/05/03/568600503.db2.gz ITNNDTDSVSJVNY-UHFFFAOYSA-N -1 3 418.953 2.950 40 0 HFABHM Cc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000225666700 568662095 /nfs/dbraw/zinc/66/20/95/568662095.db2.gz HGUCEODBMKGYHD-UHFFFAOYSA-N -1 3 402.501 2.886 40 0 HFABHM CC(C)(C)c1ccc(CN2CC[C@H](O)[C@@H](n3ccnc3)CC2)c(OCC(=O)[O-])c1 ZINC000257340130 568815953 /nfs/dbraw/zinc/81/59/53/568815953.db2.gz ZERLWDNTNAKWKB-OALUTQOASA-N -1 3 401.507 2.842 40 0 HFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CC3)c(C)c2)cc1 ZINC000007362024 569337416 /nfs/dbraw/zinc/33/74/16/569337416.db2.gz VQHJKAHXBDTHIZ-UHFFFAOYSA-N -1 3 404.488 2.852 40 0 HFABHM COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c([O-])c(OC)c3)C2=O)o1 ZINC000109278265 569353750 /nfs/dbraw/zinc/35/37/50/569353750.db2.gz AOTKPOWOZSDMDX-SDQBBNPISA-N -1 3 406.778 2.527 40 0 HFABHM CC1CCN(c2nc3c(c(=O)[n-]2)CCN(Cc2cc4c(cc2Cl)OCO4)C3)CC1 ZINC000072347355 521046938 /nfs/dbraw/zinc/04/69/38/521046938.db2.gz WACLAMRTXOUSFD-UHFFFAOYSA-N -1 3 416.909 2.947 40 0 HFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000045797814 522062572 /nfs/dbraw/zinc/06/25/72/522062572.db2.gz RXKHQCXUAIIZAP-NSHDSACASA-N -1 3 411.863 2.937 40 0 HFABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1)CC(=O)N2 ZINC000040399987 524651538 /nfs/dbraw/zinc/65/15/38/524651538.db2.gz PPWJOAZSXDZSKV-ZDUSSCGKSA-N -1 3 405.414 2.587 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCN2CCc3ccccc32)cc1Cl ZINC000044949135 525216850 /nfs/dbraw/zinc/21/68/50/525216850.db2.gz BALOQSVXGXRRBE-UHFFFAOYSA-N -1 3 407.923 2.894 40 0 HFABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000408590389 557499843 /nfs/dbraw/zinc/49/98/43/557499843.db2.gz GZHMBLCTWFJVMM-INIZCTEOSA-N -1 3 406.504 2.634 40 0 HFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1C ZINC000408591620 557503985 /nfs/dbraw/zinc/50/39/85/557503985.db2.gz IUKDQCKTVWERRJ-QGZVFWFLSA-N -1 3 418.515 2.730 40 0 HFABHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000408592448 557506326 /nfs/dbraw/zinc/50/63/26/557506326.db2.gz KMULFWJNGROZIP-INIZCTEOSA-N -1 3 418.515 2.676 40 0 HFABHM CCc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1 ZINC000408594370 557512093 /nfs/dbraw/zinc/51/20/93/557512093.db2.gz OTKIAZKPBHXLQJ-MRXNPFEDSA-N -1 3 418.515 2.676 40 0 HFABHM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cc1OC ZINC000408604323 557526068 /nfs/dbraw/zinc/52/60/68/557526068.db2.gz LYTOVMLZDCKVJM-AWEZNQCLSA-N -1 3 422.503 2.797 40 0 HFABHM COc1ccc(OC)c([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)c1 ZINC000009090480 557823064 /nfs/dbraw/zinc/82/30/64/557823064.db2.gz ZVFKOTDNFKCGQE-FCEWJHQRSA-N -1 3 424.375 2.808 40 0 HFABHM CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2Cl)NC(=O)[N-][C@@]1(O)C(F)(F)F ZINC000011859192 558289595 /nfs/dbraw/zinc/28/95/95/558289595.db2.gz QHWQRSRLVPZOAH-JQEORGNBSA-N -1 3 401.168 2.778 40 0 HFABHM COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1cccc(Cl)c1)C3 ZINC000019821227 558290608 /nfs/dbraw/zinc/29/06/08/558290608.db2.gz SRPWGCWOSAMBAH-ZDUSSCGKSA-N -1 3 413.861 2.687 40 0 HFABHM O=C(Nc1cccc2ccccc21)C1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21 ZINC000019961246 558315875 /nfs/dbraw/zinc/31/58/75/558315875.db2.gz SZYZDXSFLRIYFU-OAHLLOKOSA-N -1 3 403.442 2.588 40 0 HFABHM Cc1ccc(=O)n(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)n1 ZINC000019131033 558845339 /nfs/dbraw/zinc/84/53/39/558845339.db2.gz ADFAPIUHSRHBJO-MRXNPFEDSA-N -1 3 411.487 2.530 40 0 HFABHM CC(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)[C@@H](C)c4ccc(C)cc4)C3)[n-]c2=O)C1 ZINC000019135683 558846090 /nfs/dbraw/zinc/84/60/90/558846090.db2.gz MRIKDXFWAQTPMQ-MAUKXSAKSA-N -1 3 408.502 2.515 40 0 HFABHM O=C(c1ccc(F)c(Cl)c1)N1CC[C@H](c2nc(-c3ccc[nH]c3=O)cc(=O)[n-]2)C1 ZINC000019293201 558864969 /nfs/dbraw/zinc/86/49/69/558864969.db2.gz PTPNZZXHXYNOSO-LBPRGKRZSA-N -1 3 414.824 2.960 40 0 HFABHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(Br)cc1Br ZINC000054363017 558867852 /nfs/dbraw/zinc/86/78/52/558867852.db2.gz KUUQSKHUVXQZBO-SECBINFHSA-N -1 3 413.131 2.977 40 0 HFABHM CC(C)N1CCc2c(nc([C@@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)[n-]c2=O)C1 ZINC000019448413 558887470 /nfs/dbraw/zinc/88/74/70/558887470.db2.gz BTKWVCQFUOUUJY-KRWDZBQOSA-N -1 3 410.474 2.655 40 0 HFABHM C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)CCN(Cc1cccn1-c1cccnc1)C2 ZINC000019496426 558895548 /nfs/dbraw/zinc/89/55/48/558895548.db2.gz MCHXGBJXYXQGEI-QGZVFWFLSA-N -1 3 404.518 2.893 40 0 HFABHM CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4cccc(OC)c4)C3)[n-]c(=O)c2C1 ZINC000019501590 558899756 /nfs/dbraw/zinc/89/97/56/558899756.db2.gz QRIQPYOVAFUUQF-GOSISDBHSA-N -1 3 424.545 2.843 40 0 HFABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)CCc1ccccc1 ZINC000071980608 558917398 /nfs/dbraw/zinc/91/73/98/558917398.db2.gz LYDOBUMXCZQQFC-NRFANRHFSA-N -1 3 408.498 2.924 40 0 HFABHM CSc1ncc(CN2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)cn1 ZINC000019574123 558931834 /nfs/dbraw/zinc/93/18/34/558931834.db2.gz WYECRBYHUKEYKS-MRXNPFEDSA-N -1 3 400.552 2.652 40 0 HFABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc4ccccc4n2)C3)C[C@@H](C)O1 ZINC000072335583 558936548 /nfs/dbraw/zinc/93/65/48/558936548.db2.gz DIPZTJWETZQAMJ-HZPDHXFCSA-N -1 3 405.502 2.902 40 0 HFABHM CC1CCN(c2nc3c(c(=O)[n-]2)CCN(Cc2coc4ccccc4c2=O)C3)CC1 ZINC000072335645 558936881 /nfs/dbraw/zinc/93/68/81/558936881.db2.gz FSMGQDVLAVWBMO-UHFFFAOYSA-N -1 3 406.486 2.671 40 0 HFABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388941 558947348 /nfs/dbraw/zinc/94/73/48/558947348.db2.gz SDFAVGABCCOYIY-DZGCQCFKSA-N -1 3 409.490 2.688 40 0 HFABHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 ZINC000019690480 558960072 /nfs/dbraw/zinc/96/00/72/558960072.db2.gz RMNXKWOTVIWIEQ-FQEVSTJZSA-N -1 3 424.476 2.506 40 0 HFABHM COc1cccc([C@H]2CCCN2C(=O)c2cc(C(C)C)nc3c2c(=O)[n-]c(=O)n3C)c1 ZINC000019714549 558974554 /nfs/dbraw/zinc/97/45/54/558974554.db2.gz XUTZMKGXTDAGTB-GOSISDBHSA-N -1 3 422.485 2.731 40 0 HFABHM CC(C)C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000018193168 560870939 /nfs/dbraw/zinc/87/09/39/560870939.db2.gz HIHQCWSTFJGDQY-AWEZNQCLSA-N -1 3 414.897 2.991 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2nc(-c3ccccc3)no2)c(Cl)c1 ZINC000219287126 568488957 /nfs/dbraw/zinc/48/89/57/568488957.db2.gz RBKVXFSLCBQSRM-UHFFFAOYSA-N -1 3 406.851 2.692 40 0 HFABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1 ZINC000223052707 568535650 /nfs/dbraw/zinc/53/56/50/568535650.db2.gz LXSBBLMXCSPXRK-CZUORRHYSA-N -1 3 409.490 2.633 40 0 HFABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(C)cc3)n2)cc1OC ZINC000223626733 568553887 /nfs/dbraw/zinc/55/38/87/568553887.db2.gz LYEIFVVBWFNGHJ-UHFFFAOYSA-N -1 3 403.460 2.682 40 0 HFABHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)ccc1N1CCCC1=O ZINC000225002399 568608216 /nfs/dbraw/zinc/60/82/16/568608216.db2.gz SJPJSFGLDYZMMD-UHFFFAOYSA-N -1 3 415.515 2.759 40 0 HFABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(C)c3C)n2)cc1 ZINC000225263792 568626532 /nfs/dbraw/zinc/62/65/32/568626532.db2.gz BSCRDWFGRKKZTR-UHFFFAOYSA-N -1 3 403.460 2.849 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(CN2CCCC2=O)cc1 ZINC000225419031 568636301 /nfs/dbraw/zinc/63/63/01/568636301.db2.gz DUYBACICSHDQSM-UHFFFAOYSA-N -1 3 408.907 2.950 40 0 HFABHM Cn1[n-]c2c(c1=O)CN(C(=O)c1ccco1)CC21CCN(Cc2ccccc2)CC1 ZINC000306126848 568889809 /nfs/dbraw/zinc/88/98/09/568889809.db2.gz FGXHKEJWHXCKIB-UHFFFAOYSA-N -1 3 406.486 2.909 40 0 HFABHM CC(C)C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)C1 ZINC000018164689 569030638 /nfs/dbraw/zinc/03/06/38/569030638.db2.gz JXQSOYPNGIPGSV-CQSZACIVSA-N -1 3 414.897 2.991 40 0 HFABHM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000253590875 569318028 /nfs/dbraw/zinc/31/80/28/569318028.db2.gz GQEJABFVPSXWEN-ZTNFWEORSA-N -1 3 407.518 2.845 40 0 HFABHM COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](/C=C/c1ccccc1)C3 ZINC000019962302 523494787 /nfs/dbraw/zinc/49/47/87/523494787.db2.gz CJWYFBGSYJICIQ-FDMDGMSGSA-N -1 3 405.454 2.580 40 0 HFABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1OC ZINC000408586276 557488367 /nfs/dbraw/zinc/48/83/67/557488367.db2.gz MYYOTPWNRCVUBB-UHFFFAOYSA-N -1 3 408.432 2.836 40 0 HFABHM COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c(Br)c1[O-] ZINC000005702464 557669193 /nfs/dbraw/zinc/66/91/93/557669193.db2.gz TUVXIMBJINJKCP-GXTWGEPZSA-N -1 3 405.292 2.944 40 0 HFABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000007404754 557740982 /nfs/dbraw/zinc/74/09/82/557740982.db2.gz ASDJNWQPGPNWCS-UHFFFAOYSA-N -1 3 412.851 2.894 40 0 HFABHM CCc1cc(=O)[n-]c(NC2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)n1 ZINC000012113699 558327165 /nfs/dbraw/zinc/32/71/65/558327165.db2.gz CFMSCXYKNFVWQY-UHFFFAOYSA-N -1 3 423.439 2.866 40 0 HFABHM Cc1ccc(C([O-])=C2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013427345 558532545 /nfs/dbraw/zinc/53/25/45/558532545.db2.gz HRMXAWGZWPUXLM-MDZRGWNJSA-N -1 3 422.359 2.828 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828368 558815915 /nfs/dbraw/zinc/81/59/15/558815915.db2.gz JMCYZXCSIDKDDH-DZKIICNBSA-N -1 3 409.490 2.910 40 0 HFABHM O=C(CC1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019014583 558836862 /nfs/dbraw/zinc/83/68/62/558836862.db2.gz YYVMPKYLMVBAGI-LJQANCHMSA-N -1 3 412.534 2.699 40 0 HFABHM O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)C1 ZINC000019343143 558872500 /nfs/dbraw/zinc/87/25/00/558872500.db2.gz FXLKULBVFURJIQ-HNNXBMFYSA-N -1 3 412.559 2.691 40 0 HFABHM CCCC(=O)N1CCc2nc(C3CCN(C(=O)C4CCCCC4)CC3)[n-]c(=O)c2C1 ZINC000019501614 558899703 /nfs/dbraw/zinc/89/97/03/558899703.db2.gz PDZFFRPTXVXQGJ-UHFFFAOYSA-N -1 3 414.550 2.741 40 0 HFABHM CCc1[nH]nc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1C ZINC000019520975 558902260 /nfs/dbraw/zinc/90/22/60/558902260.db2.gz URJVAHHOOGBWGA-GOSISDBHSA-N -1 3 404.474 2.867 40 0 HFABHM CCc1c(C)nc([C@@H]2CCCN2C(=O)Cc2cc(OC)c(OC)c(OC)c2)[n-]c1=O ZINC000019521580 558902896 /nfs/dbraw/zinc/90/28/96/558902896.db2.gz VGLZJFZGUFOUCH-INIZCTEOSA-N -1 3 415.490 2.573 40 0 HFABHM CCOc1ccc(CC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)cc1 ZINC000019532865 558912791 /nfs/dbraw/zinc/91/27/91/558912791.db2.gz XUENDVLDDIIANS-QGZVFWFLSA-N -1 3 410.518 2.518 40 0 HFABHM CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccccc1Br ZINC000071980353 558917169 /nfs/dbraw/zinc/91/71/69/558917169.db2.gz NMJIBXOHULJNQT-HNNXBMFYSA-N -1 3 411.296 2.577 40 0 HFABHM COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3cccnc3OC)cc(=O)[n-]2)cc1 ZINC000019554196 558917251 /nfs/dbraw/zinc/91/72/51/558917251.db2.gz RRWSIMSOAYBKGO-LJQANCHMSA-N -1 3 420.469 2.755 40 0 HFABHM COc1ccc(C(=O)N2[C@H](C(=O)[O-])COC23CCN(Cc2ccccc2)CC3)cc1 ZINC000071980564 558917335 /nfs/dbraw/zinc/91/73/35/558917335.db2.gz ILXDMYJCRZWMDP-FQEVSTJZSA-N -1 3 410.470 2.613 40 0 HFABHM Cc1nn(C(F)F)cc1S(=O)(=O)[N-]CC1(c2ccccc2F)CCOCC1 ZINC000019583383 558937727 /nfs/dbraw/zinc/93/77/27/558937727.db2.gz IQLCKSVQRMTRPQ-UHFFFAOYSA-N -1 3 403.426 2.752 40 0 HFABHM CO[C@H]1CCC[C@H](C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)C1 ZINC000019592602 558943526 /nfs/dbraw/zinc/94/35/26/558943526.db2.gz YPIGPVNHSOXMSG-GJZGRUSLSA-N -1 3 402.520 2.805 40 0 HFABHM COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n1 ZINC000019594656 558945334 /nfs/dbraw/zinc/94/53/34/558945334.db2.gz STDCPUBLKNICIK-MRXNPFEDSA-N -1 3 420.425 2.547 40 0 HFABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1 ZINC000040388776 558945575 /nfs/dbraw/zinc/94/55/75/558945575.db2.gz LXSBBLMXCSPXRK-BBRMVZONSA-N -1 3 409.490 2.633 40 0 HFABHM Cc1cnc([N-]c2nccnc2C2CCN(C(=O)/C=C/c3ccnn3C)CC2)s1 ZINC000585291374 559123758 /nfs/dbraw/zinc/12/37/58/559123758.db2.gz BPRUQWIFMHNPLZ-ONEGZZNKSA-N -1 3 409.519 3.138 40 0 HFABHM CC(C)(C)C(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCN(c3ccccn3)CC2)C1 ZINC000020463369 560092953 /nfs/dbraw/zinc/09/29/53/560092953.db2.gz ISJMQUSXDKOKTJ-OALUTQOASA-N -1 3 416.566 2.579 40 0 biogenic,in-vitro HFABHM Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)CN3CCOCC3)ccc2Cl)cc1 ZINC000000892308 560543257 /nfs/dbraw/zinc/54/32/57/560543257.db2.gz LSBAOVMVBPPPBH-UHFFFAOYSA-N -1 3 423.922 2.720 40 0 HFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)cc1 ZINC000409375652 560716188 /nfs/dbraw/zinc/71/61/88/560716188.db2.gz NNRSGGBHGHLGKF-UHFFFAOYSA-N -1 3 404.488 2.887 40 0 HFABHM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000409381580 560717273 /nfs/dbraw/zinc/71/72/73/560717273.db2.gz HCNZYRNODTWQOW-UHFFFAOYSA-N -1 3 406.504 2.636 40 0 HFABHM COc1ccc(CNC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000409393481 560719442 /nfs/dbraw/zinc/71/94/42/560719442.db2.gz XAJZFBGVEKUZAN-LLVKDONJSA-N -1 3 417.314 2.985 40 0 HFABHM O=C(c1ccco1)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000015907265 560857320 /nfs/dbraw/zinc/85/73/20/560857320.db2.gz FNPHAIQGPXJPFH-AWEZNQCLSA-N -1 3 422.420 2.727 40 0 HFABHM COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1O ZINC000004263338 560894187 /nfs/dbraw/zinc/89/41/87/560894187.db2.gz QPBZUNMZVMIAIG-RKVPGOIHSA-N -1 3 410.348 2.505 40 0 HFABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3cc(C)ccc3C)n2)cc1OC ZINC000223620397 568553449 /nfs/dbraw/zinc/55/34/49/568553449.db2.gz DHYIDVJSLSIHHR-UHFFFAOYSA-N -1 3 403.460 2.849 40 0 HFABHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000223795140 568559331 /nfs/dbraw/zinc/55/93/31/568559331.db2.gz NXXLSEJFZMRTDS-UHFFFAOYSA-N -1 3 404.488 2.747 40 0 HFABHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)ccc1Cl ZINC000223834609 568560354 /nfs/dbraw/zinc/56/03/54/568560354.db2.gz XIEIGDSIKIOXOT-UHFFFAOYSA-N -1 3 423.922 2.679 40 0 HFABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000223844728 568560704 /nfs/dbraw/zinc/56/07/04/568560704.db2.gz IXALGJPZMOWQBS-UHFFFAOYSA-N -1 3 408.863 2.836 40 0 HFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(-c3cccs3)no2)c1 ZINC000223912894 568562754 /nfs/dbraw/zinc/56/27/54/568562754.db2.gz CNALFSBEQMNCKB-UHFFFAOYSA-N -1 3 413.864 2.717 40 0 HFABHM Cc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000225487033 568642064 /nfs/dbraw/zinc/64/20/64/568642064.db2.gz FAMAEJQTSXMADK-UHFFFAOYSA-N -1 3 402.501 2.886 40 0 HFABHM COc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000225716433 568667318 /nfs/dbraw/zinc/66/73/18/568667318.db2.gz JXLQSDOOILTBQJ-UHFFFAOYSA-N -1 3 418.500 2.586 40 0 HFABHM COc1ccc(CCC(=O)N2CC[C@@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000257325782 568811960 /nfs/dbraw/zinc/81/19/60/568811960.db2.gz WUKNZEYRBLOCBJ-QGZVFWFLSA-N -1 3 404.474 2.968 40 0 HFABHM COc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)ccc1O ZINC000027015685 569070450 /nfs/dbraw/zinc/07/04/50/569070450.db2.gz HAOXMWGSLQOXDJ-FRQCXROJSA-N -1 3 424.375 2.813 40 0 HFABHM COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc(I)c1[O-] ZINC000008222647 569339924 /nfs/dbraw/zinc/33/99/24/569339924.db2.gz YFIGTQBCRWVPFE-RKDXNWHRSA-N -1 3 407.273 2.790 40 0 HFABHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000045866073 525264366 /nfs/dbraw/zinc/26/43/66/525264366.db2.gz NWOPIXWHBWMWMU-UHFFFAOYSA-N -1 3 408.270 2.793 40 0 HFABHM O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000001006974 557141434 /nfs/dbraw/zinc/14/14/34/557141434.db2.gz QVGNNPYQHRKFLA-RVKKMQEKSA-N -1 3 408.332 2.519 40 0 HFABHM COc1ccc(C2(C(=O)N3CCC(Nc4nc5c(c(=O)[n-]4)CCCC5)CC3)CC2)cc1 ZINC000012113695 558327070 /nfs/dbraw/zinc/32/70/70/558327070.db2.gz BSIXNGLDWLRUIP-UHFFFAOYSA-N -1 3 422.529 2.792 40 0 HFABHM CCN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)CC1 ZINC000020458154 558371214 /nfs/dbraw/zinc/37/12/14/558371214.db2.gz BUFGDBBNSCLEMP-UHFFFAOYSA-N -1 3 407.923 2.919 40 0 HFABHM COCc1nc(N2CCN(c3ccccc3F)CC2)[n-]c(=O)c1Cc1ccccc1 ZINC000022448596 558489864 /nfs/dbraw/zinc/48/98/64/558489864.db2.gz GVWLFNOVQJYVEK-UHFFFAOYSA-N -1 3 408.477 2.973 40 0 HFABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccc(F)cc1 ZINC000022496128 558492011 /nfs/dbraw/zinc/49/20/11/558492011.db2.gz VKVRJEMBXRFPEO-UHFFFAOYSA-N -1 3 404.257 2.954 40 0 HFABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000038828468 558815988 /nfs/dbraw/zinc/81/59/88/558815988.db2.gz BNRHNBQNTNTPIL-DZKIICNBSA-N -1 3 409.490 2.910 40 0 HFABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C(C)C)C3)cc(=O)[n-]2)CC1 ZINC000019085238 558841156 /nfs/dbraw/zinc/84/11/56/558841156.db2.gz XQJGXUGJJCDSIJ-QGZVFWFLSA-N -1 3 402.539 2.906 40 0 HFABHM COc1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)ccn1 ZINC000019285155 558859725 /nfs/dbraw/zinc/85/97/25/558859725.db2.gz IFYMSWIOEIXAGP-GOSISDBHSA-N -1 3 403.442 2.677 40 0 HFABHM O=C(C1CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1F)C2 ZINC000019349384 558874881 /nfs/dbraw/zinc/87/48/81/558874881.db2.gz RURKWCSBQRKZPF-FQEVSTJZSA-N -1 3 410.493 2.931 40 0 HFABHM O=C(COc1ccccc1F)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019350177 558875540 /nfs/dbraw/zinc/87/55/40/558875540.db2.gz VCIQHBMUGZYJHF-UHFFFAOYSA-N -1 3 414.462 2.818 40 0 HFABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)c5ccccn5)CC4)[n-]n3c(=O)c2C1 ZINC000019448153 558887229 /nfs/dbraw/zinc/88/72/29/558887229.db2.gz NLAKCDMGUUMQPP-UHFFFAOYSA-N -1 3 420.517 2.616 40 0 HFABHM COc1ccccc1N1C[C@H](c2cc(=O)[n-]c(N[C@H](C)c3cccnc3)n2)CC1=O ZINC000019459636 558893267 /nfs/dbraw/zinc/89/32/67/558893267.db2.gz UARMFJFLBQQLKJ-GDBMZVCRSA-N -1 3 405.458 2.867 40 0 HFABHM C[C@H](NCc1ccc(N2CCCC2=O)cc1)c1cc(=O)[n-]c(N2CCC(C)CC2)n1 ZINC000019497026 558895959 /nfs/dbraw/zinc/89/59/59/558895959.db2.gz SLIBWIIPRUNMKY-KRWDZBQOSA-N -1 3 409.534 2.984 40 0 HFABHM CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccccc3)[n-]c2=O)C1 ZINC000019501657 558899674 /nfs/dbraw/zinc/89/96/74/558899674.db2.gz INIOCKTUONMIDH-HXUWFJFHSA-N -1 3 422.529 2.751 40 0 HFABHM CCCn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)n1 ZINC000019526115 558907469 /nfs/dbraw/zinc/90/74/69/558907469.db2.gz MKTZWZGRWYIKQM-IBGZPJMESA-N -1 3 412.538 2.923 40 0 HFABHM CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccccc1C(F)(F)F ZINC000071980384 558917215 /nfs/dbraw/zinc/91/72/15/558917215.db2.gz VEIJWGASPYYQDG-OAHLLOKOSA-N -1 3 400.397 2.833 40 0 HFABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cc(F)cc(F)c1 ZINC000071980674 558917311 /nfs/dbraw/zinc/91/73/11/558917311.db2.gz QETNGYSETFWROB-IBGZPJMESA-N -1 3 416.424 2.883 40 0 HFABHM Cc1nn(CCC(=O)N2CCC[C@H]2c2nc(-c3cccnc3)cc(=O)[n-]2)c(C)c1C ZINC000019557093 558919404 /nfs/dbraw/zinc/91/94/04/558919404.db2.gz MAMVLXLNFYYFBQ-IBGZPJMESA-N -1 3 406.490 2.707 40 0 HFABHM COc1ccc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1OC(F)F ZINC000019559774 558920882 /nfs/dbraw/zinc/92/08/82/558920882.db2.gz JUTDJAWOHKFXAU-UHFFFAOYSA-N -1 3 420.460 2.581 40 0 HFABHM Cc1nc(C2CCN(C(=O)Cc3c(C)nc(C)[n-]c3=O)CC2)sc1-c1ccncn1 ZINC000019579150 558934725 /nfs/dbraw/zinc/93/47/25/558934725.db2.gz KVPIGZCOFYOZKG-UHFFFAOYSA-N -1 3 424.530 2.557 40 0 HFABHM CN(C)c1ccc(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1 ZINC000019584775 558938819 /nfs/dbraw/zinc/93/88/19/558938819.db2.gz OUGAFUSYVPUUQC-UHFFFAOYSA-N -1 3 409.515 2.979 40 0 HFABHM CO[C@@H]1CCC[C@@H](C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)C1 ZINC000019592599 558943520 /nfs/dbraw/zinc/94/35/20/558943520.db2.gz YPIGPVNHSOXMSG-HUUCEWRRSA-N -1 3 402.520 2.805 40 0 HFABHM COc1cc2c(cc1CN1CCc3c(=O)[n-]c(N4CCC(C)CC4)nc3C1)OCO2 ZINC000072347362 558944530 /nfs/dbraw/zinc/94/45/30/558944530.db2.gz IRNIYXJUEGEDJQ-UHFFFAOYSA-N -1 3 412.490 2.714 40 0 HFABHM COCCc1ncc(CN2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)cn1 ZINC000019593851 558945103 /nfs/dbraw/zinc/94/51/03/558945103.db2.gz ZVQYVFDGMRJANI-MRXNPFEDSA-N -1 3 411.531 2.857 40 0 HFABHM COCCc1ncc(CN2CCC[C@@H](c3cc(=O)[n-]c(-c4cccs4)n3)C2)cn1 ZINC000019593846 558945178 /nfs/dbraw/zinc/94/51/78/558945178.db2.gz FFBKQRMWYDJBOU-MRXNPFEDSA-N -1 3 411.531 2.857 40 0 HFABHM COc1cc(CN2CCC[C@H](c3cc(=O)[n-]c(-c4cnccn4)n3)C2)cc(OC)c1 ZINC000019595107 558945777 /nfs/dbraw/zinc/94/57/77/558945777.db2.gz QJOVQFYDHITVMJ-INIZCTEOSA-N -1 3 407.474 2.624 40 0 HFABHM O=C(CN1CCC(Nc2nc3c(c(=O)[n-]2)CCCC3)CC1)N1CCCc2ccccc21 ZINC000072389384 558970028 /nfs/dbraw/zinc/97/00/28/558970028.db2.gz SXIJNRXESBJILM-UHFFFAOYSA-N -1 3 421.545 2.504 40 0 HFABHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)C4CCC4)C2)[n-]c3=O)cc1 ZINC000005738616 560627340 /nfs/dbraw/zinc/62/73/40/560627340.db2.gz RQMYJAKUGNBNKX-KRWDZBQOSA-N -1 3 406.490 2.790 40 0 HFABHM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000409379463 560718448 /nfs/dbraw/zinc/71/84/48/560718448.db2.gz XZZXYFYVNZQMEI-UHFFFAOYSA-N -1 3 406.504 2.636 40 0 HFABHM COc1ccc(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000409393482 560719406 /nfs/dbraw/zinc/71/94/06/560719406.db2.gz XAJZFBGVEKUZAN-NSHDSACASA-N -1 3 417.314 2.985 40 0 HFABHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000101372196 560728657 /nfs/dbraw/zinc/72/86/57/560728657.db2.gz IGERRMFEHWOOLW-TXEJJXNPSA-N -1 3 420.395 2.979 40 0 HFABHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000101372196 560728658 /nfs/dbraw/zinc/72/86/58/560728658.db2.gz IGERRMFEHWOOLW-TXEJJXNPSA-N -1 3 420.395 2.979 40 0 HFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C(=O)N1CCOCC1 ZINC000113939668 560806500 /nfs/dbraw/zinc/80/65/00/560806500.db2.gz JKRCVUZYPKIMOQ-UHFFFAOYSA-N -1 3 404.488 2.585 40 0 HFABHM Cc1nnc(SCc2cc(=O)[n-]c(N3CCN(c4ccc(F)cc4)CC3)n2)s1 ZINC000020414468 560884124 /nfs/dbraw/zinc/88/41/24/560884124.db2.gz JLYDNNMCALYMIR-UHFFFAOYSA-N -1 3 418.523 2.688 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1CN1CCOCC1 ZINC000223561953 568551865 /nfs/dbraw/zinc/55/18/65/568551865.db2.gz ZTCWEHQBUSRSDS-UHFFFAOYSA-N -1 3 410.923 2.659 40 0 HFABHM COC(=O)c1ccc(CS(=O)(=O)[N-]Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000223657457 568555275 /nfs/dbraw/zinc/55/52/75/568555275.db2.gz JTGFLLMKVMEOKJ-UHFFFAOYSA-N -1 3 421.862 2.796 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(OC)c(OC)c1OC ZINC000225390979 568633493 /nfs/dbraw/zinc/63/34/93/568633493.db2.gz MKHHSIIPFNXMNC-UHFFFAOYSA-N -1 3 401.868 2.853 40 0 HFABHM COc1ccc(C([O-])=C2[C@H](c3ccc(O)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013427038 569326816 /nfs/dbraw/zinc/32/68/16/569326816.db2.gz GXUUTOPJQGIEKX-VKJFTORMSA-N -1 3 410.348 2.505 40 0 HFABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399180 521110417 /nfs/dbraw/zinc/11/04/17/521110417.db2.gz XODQBCPHWFQAFL-INIZCTEOSA-N -1 3 419.441 2.977 40 0 HFABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000040390377 524153106 /nfs/dbraw/zinc/15/31/06/524153106.db2.gz KJFURFLTHJBMKO-LSDHHAIUSA-N -1 3 409.490 2.830 40 0 HFABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000040399992 524650472 /nfs/dbraw/zinc/65/04/72/524650472.db2.gz LMVWFBMFMFKYGE-AWEZNQCLSA-N -1 3 419.441 2.895 40 0 HFABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 ZINC000040399803 524720595 /nfs/dbraw/zinc/72/05/95/524720595.db2.gz DRLUBEITYLYEEW-MRXNPFEDSA-N -1 3 419.441 2.895 40 0 HFABHM CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)CC1 ZINC000408549399 557396311 /nfs/dbraw/zinc/39/63/11/557396311.db2.gz YWPXNPOJDAAMTN-UHFFFAOYSA-N -1 3 401.532 2.882 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c(C)c1 ZINC000022610370 558501728 /nfs/dbraw/zinc/50/17/28/558501728.db2.gz HKEOMYVRPOXAMF-OAHLLOKOSA-N -1 3 409.490 2.688 40 0 HFABHM Cc1cc(C)nc(SCc2cc(=O)[n-]c(N3CCN(c4ccccc4)CC3)n2)n1 ZINC000013611363 558548561 /nfs/dbraw/zinc/54/85/61/558548561.db2.gz MYJBVXSTRZIBAU-UHFFFAOYSA-N -1 3 408.531 2.796 40 0 HFABHM COc1cccc(OCC[N-]S(=O)(=O)c2cc(Br)ccc2OC)c1 ZINC000026836563 558665706 /nfs/dbraw/zinc/66/57/06/558665706.db2.gz WKGJMCUDBWBZBL-UHFFFAOYSA-N -1 3 416.293 2.824 40 0 HFABHM COc1ccc([C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285471 558859954 /nfs/dbraw/zinc/85/99/54/558859954.db2.gz HALSHUWKHFXBEW-LEWJYISDSA-N -1 3 424.545 2.528 40 0 HFABHM O=c1cc([C@@H]2CCN(Cc3cccc(Cl)c3Cl)C2)nc(N2CCOCC2)[n-]1 ZINC000019292609 558864550 /nfs/dbraw/zinc/86/45/50/558864550.db2.gz NGRRAISCSPATEA-CYBMUJFWSA-N -1 3 409.317 2.903 40 0 HFABHM O=C(Cc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)C1 ZINC000019370108 558878151 /nfs/dbraw/zinc/87/81/51/558878151.db2.gz PGPNKPYMVIHMHI-GOSISDBHSA-N -1 3 406.530 2.629 40 0 HFABHM CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccccc2OC)CC3)C1 ZINC000019501125 558898935 /nfs/dbraw/zinc/89/89/35/558898935.db2.gz LFCLFRRBCNJCSV-KRWDZBQOSA-N -1 3 410.518 2.865 40 0 HFABHM CCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019501316 558899266 /nfs/dbraw/zinc/89/92/66/558899266.db2.gz HPYLINVKCUCJJV-CQSZACIVSA-N -1 3 414.531 2.536 40 0 HFABHM CCn1cc(C(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCCC3)C4)C2)cn1 ZINC000019524858 558906080 /nfs/dbraw/zinc/90/60/80/558906080.db2.gz GLKDNCOHXIMQKZ-INIZCTEOSA-N -1 3 424.549 2.719 40 0 HFABHM CCOc1cc(CN2CCc3nc(-c4cnc(C)cn4)[n-]c(=O)c3C2)ccc1OC ZINC000019532093 558912376 /nfs/dbraw/zinc/91/23/76/558912376.db2.gz TZSBHJRGORWIMD-UHFFFAOYSA-N -1 3 407.474 2.501 40 0 HFABHM COc1cc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc(OC)c1OC ZINC000019549684 558914409 /nfs/dbraw/zinc/91/44/09/558914409.db2.gz ODIQBJYSFQPGKZ-KRWDZBQOSA-N -1 3 422.485 2.847 40 0 HFABHM CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc(C(F)(F)F)c1 ZINC000071980334 558917192 /nfs/dbraw/zinc/91/71/92/558917192.db2.gz QJGKGIUNGZMHQM-OAHLLOKOSA-N -1 3 400.397 2.833 40 0 HFABHM COc1ccccc1CC(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019569514 558928460 /nfs/dbraw/zinc/92/84/60/558928460.db2.gz XYWCQXWAGPKJNB-UHFFFAOYSA-N -1 3 410.499 2.851 40 0 HFABHM CSCC[C@H](NC(=O)c1ccc2c(c1)OCO2)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019573987 558931750 /nfs/dbraw/zinc/93/17/50/558931750.db2.gz RCAFCJGDVOURQN-HNNXBMFYSA-N -1 3 424.482 2.785 40 0 HFABHM Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(C)C)CC2 ZINC000019580394 558936093 /nfs/dbraw/zinc/93/60/93/558936093.db2.gz XFTNJLOPEHSXCO-LJQANCHMSA-N -1 3 413.522 2.850 40 0 HFABHM COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000019594676 558945557 /nfs/dbraw/zinc/94/55/57/558945557.db2.gz XONSXQURJUUICH-HNNXBMFYSA-N -1 3 408.433 2.538 40 0 HFABHM COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377746 558966913 /nfs/dbraw/zinc/96/69/13/558966913.db2.gz LSBWHAIZGJVXMI-QGZVFWFLSA-N -1 3 412.475 2.545 40 0 HFABHM CC(C)(C)[C@H]1CCc2noc(C3CCN(C(=O)CC[C@H]4NC(=O)[N-]C4=O)CC3)c2C1 ZINC000072392411 558972106 /nfs/dbraw/zinc/97/21/06/558972106.db2.gz RLINUKSQUZVUGV-WMLDXEAASA-N -1 3 416.522 2.520 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(OC)c(OC)c(OC)c1 ZINC000107188145 559164854 /nfs/dbraw/zinc/16/48/54/559164854.db2.gz IGEUKOHMJNPGSZ-UHFFFAOYSA-N -1 3 401.868 2.853 40 0 HFABHM Cc1ccc(C)c(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)CC(C)C)C2)[n-]c3=O)c1 ZINC000004861925 560614110 /nfs/dbraw/zinc/61/41/10/560614110.db2.gz MDQZZEVSOJIZCK-QGZVFWFLSA-N -1 3 422.533 2.932 40 0 HFABHM COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1OC ZINC000011859119 560775178 /nfs/dbraw/zinc/77/51/78/560775178.db2.gz AVZHFFQLDMDZCV-FRQCXROJSA-N -1 3 424.375 2.808 40 0 HFABHM O=C(c1ccccc1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 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WCUDDYRVEUBXAO-UHFFFAOYSA-N -1 3 409.895 2.800 40 0 HFABHM CCOc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(F)cc3F)CC2)cc1 ZINC000225927927 568686587 /nfs/dbraw/zinc/68/65/87/568686587.db2.gz VJSWWBWISQBKRY-UHFFFAOYSA-N -1 3 410.442 2.954 40 0 HFABHM O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339301 569345365 /nfs/dbraw/zinc/34/53/65/569345365.db2.gz IQLXDQZMZBBSFA-NQIIRXRSSA-N -1 3 419.529 2.743 40 0 HFABHM CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000072411053 569384179 /nfs/dbraw/zinc/38/41/79/569384179.db2.gz BHRXVLNIBDVDDS-VIFPVBQESA-N -1 3 411.343 2.798 40 0 HFABHM CC1CCN(c2nc3c(c(=O)[n-]2)CN(Cc2cccn2-c2cccnc2)CC3)CC1 ZINC000012117869 132354447 /nfs/dbraw/zinc/35/44/47/132354447.db2.gz DKBPUDKIGTUWBI-UHFFFAOYSA-N -1 3 404.518 2.750 40 0 HFABHM C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[n-]c(N3CCC[C@H](C)C3)nc2C1 ZINC000012184759 132356198 /nfs/dbraw/zinc/35/61/98/132356198.db2.gz TZYYXZFSOYCCLX-IRXDYDNUSA-N -1 3 424.545 2.972 40 0 HFABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(C)c1)CC(=O)N2 ZINC000040399996 524651190 /nfs/dbraw/zinc/65/11/90/524651190.db2.gz DGROPIRIEOGDGW-AWEZNQCLSA-N -1 3 419.441 2.895 40 0 HFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)c(C)c1 ZINC000408597935 557508099 /nfs/dbraw/zinc/50/80/99/557508099.db2.gz WSHQFMJMGBUIPE-QGZVFWFLSA-N -1 3 418.515 2.730 40 0 HFABHM CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000408601723 557522182 /nfs/dbraw/zinc/52/21/82/557522182.db2.gz GRTQEBZFWGIOFI-CQSZACIVSA-N -1 3 420.487 2.551 40 0 HFABHM COc1ccc(OC[C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000019932202 558310730 /nfs/dbraw/zinc/31/07/30/558310730.db2.gz YMUJLLXGPSBPSO-LBPRGKRZSA-N -1 3 412.895 2.917 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000020016426 558320194 /nfs/dbraw/zinc/32/01/94/558320194.db2.gz ISMQLFGEHBOMHS-VIFPVBQESA-N -1 3 404.822 2.932 40 0 HFABHM COc1ccccc1N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)CC1 ZINC000020450223 558365121 /nfs/dbraw/zinc/36/51/21/558365121.db2.gz AYJWYXKEFGVIBP-UHFFFAOYSA-N -1 3 423.922 2.683 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1Cl ZINC000020453719 558367675 /nfs/dbraw/zinc/36/76/75/558367675.db2.gz OMYJYKQMIVHTEY-UHFFFAOYSA-N -1 3 404.879 2.827 40 0 HFABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21 ZINC000022610280 558501663 /nfs/dbraw/zinc/50/16/63/558501663.db2.gz VRAUMBPVEQEHLY-OAHLLOKOSA-N -1 3 409.490 2.633 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1C ZINC000022610288 558501736 /nfs/dbraw/zinc/50/17/36/558501736.db2.gz PCQWMGRUVAUSFC-MRXNPFEDSA-N -1 3 409.490 2.688 40 0 HFABHM CC(C)C(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000019085464 558841150 /nfs/dbraw/zinc/84/11/50/558841150.db2.gz LGHSXCBGRCQGHK-QGZVFWFLSA-N -1 3 400.523 2.660 40 0 HFABHM CC(C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019085538 558841256 /nfs/dbraw/zinc/84/12/56/558841256.db2.gz UKWYNURFYBUWIP-OAHLLOKOSA-N -1 3 400.548 2.752 40 0 HFABHM Cc1ccc(S(=O)(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1C ZINC000019214302 558849627 /nfs/dbraw/zinc/84/96/27/558849627.db2.gz OWUQWZQZBPADNL-KRWDZBQOSA-N -1 3 410.499 2.627 40 0 HFABHM Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(NCCc4ccccn4)n3)CC2=O)c1C ZINC000019235580 558854659 /nfs/dbraw/zinc/85/46/59/558854659.db2.gz HRPSRDAWMNEKQN-KRWDZBQOSA-N -1 3 403.486 2.957 40 0 HFABHM COc1ccc(Cc2nnc([N-]C(=O)c3cnn4cc(C)cnc34)s2)cc1OC ZINC000019239353 558858025 /nfs/dbraw/zinc/85/80/25/558858025.db2.gz GPLOHJZRXGZOHN-UHFFFAOYSA-N -1 3 410.459 2.750 40 0 HFABHM O=C(C1CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349245 558874837 /nfs/dbraw/zinc/87/48/37/558874837.db2.gz RHQUTAYNVAABPE-FQEVSTJZSA-N -1 3 410.493 2.931 40 0 HFABHM C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[n-]c(NC[C@@H]2COc3ccccc3O2)n1 ZINC000019457476 558892287 /nfs/dbraw/zinc/89/22/87/558892287.db2.gz RGUSZZHBGXDWMA-GXTWGEPZSA-N -1 3 401.854 2.675 40 0 HFABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(F)cc1F ZINC000071980672 558917402 /nfs/dbraw/zinc/91/74/02/558917402.db2.gz RSGCJWCDRPXTGF-IBGZPJMESA-N -1 3 416.424 2.883 40 0 HFABHM Cc1nnsc1C(=O)N[C@H](Cc1cc(=O)[n-]c(-c2cccnc2)n1)c1ccccc1 ZINC000019563600 558923776 /nfs/dbraw/zinc/92/37/76/558923776.db2.gz CLRGONBFKOCKIW-QGZVFWFLSA-N -1 3 418.482 2.706 40 0 HFABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc4ccccc4n2)C3)C[C@H](C)O1 ZINC000072335581 558936535 /nfs/dbraw/zinc/93/65/35/558936535.db2.gz DIPZTJWETZQAMJ-IYBDPMFKSA-N -1 3 405.502 2.902 40 0 HFABHM C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[n-]c(N3CCC(C)CC3)nc2C1 ZINC000072335639 558936992 /nfs/dbraw/zinc/93/69/92/558936992.db2.gz GANMBCCQHXABJQ-KRWDZBQOSA-N -1 3 424.545 2.972 40 0 HFABHM COCCc1ncc(CN2CCC[C@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)cn1 ZINC000019593852 558945116 /nfs/dbraw/zinc/94/51/16/558945116.db2.gz ZVQYVFDGMRJANI-INIZCTEOSA-N -1 3 411.531 2.857 40 0 HFABHM COc1ccc(CNc2nc([C@@H](C)n3ncc4ccccc4c3=O)cc(=O)[n-]2)cc1 ZINC000019717926 558980932 /nfs/dbraw/zinc/98/09/32/558980932.db2.gz IMZBCAITDZKBBL-CQSZACIVSA-N -1 3 403.442 2.710 40 0 HFABHM CCc1cc(C(=O)N2CCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CCN(C(C)C)C4)no1 ZINC000100234310 559132894 /nfs/dbraw/zinc/13/28/94/559132894.db2.gz FLTJXEDDPQXHFX-LJQANCHMSA-N -1 3 424.505 2.729 40 0 HFABHM COc1ccc(C([O-])=C2[C@H](c3ccc(O)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000001464499 560558040 /nfs/dbraw/zinc/55/80/40/560558040.db2.gz GXUUTOPJQGIEKX-RVKKMQEKSA-N -1 3 410.348 2.505 40 0 HFABHM Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)C4CCC4)C2)[n-]c3=O)cc1 ZINC000005738594 560627402 /nfs/dbraw/zinc/62/74/02/560627402.db2.gz RQMYJAKUGNBNKX-QGZVFWFLSA-N -1 3 406.490 2.790 40 0 HFABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)c1 ZINC000409378891 560718402 /nfs/dbraw/zinc/71/84/02/560718402.db2.gz TVKKUERMBMYRBC-UHFFFAOYSA-N -1 3 411.483 2.886 40 0 HFABHM Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN(C)CC4)cc3C(=O)[O-])cc2c1 ZINC000013565089 560813266 /nfs/dbraw/zinc/81/32/66/560813266.db2.gz BINGDOHAFLRLIT-UHFFFAOYSA-N -1 3 406.486 2.899 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)cc1C ZINC000223050936 568535691 /nfs/dbraw/zinc/53/56/91/568535691.db2.gz CNLCZLOPXXTXQA-PBFPGSCMSA-N -1 3 423.517 2.934 40 0 HFABHM COc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 ZINC000223300651 568544496 /nfs/dbraw/zinc/54/44/96/568544496.db2.gz OPKBRRYAMYEJIT-UHFFFAOYSA-N -1 3 418.500 2.586 40 0 HFABHM Cn1c(=O)sc2cc(NC(=O)c3cc([N-]S(C)(=O)=O)ccc3Cl)ccc21 ZINC000225051955 568611383 /nfs/dbraw/zinc/61/13/83/568611383.db2.gz UZPRBUGZIFFIJG-UHFFFAOYSA-N -1 3 411.892 2.877 40 0 HFABHM Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@]2(Cc3c([nH]c(=O)[n-]c3=O)O2)CC1 ZINC000257334491 568814317 /nfs/dbraw/zinc/81/43/17/568814317.db2.gz YGENTAFZTIXPMB-OAQYLSRUSA-N -1 3 412.421 2.817 40 0 HFABHM COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000007362126 569337366 /nfs/dbraw/zinc/33/73/66/569337366.db2.gz XUMJSXVADPHNES-UHFFFAOYSA-N -1 3 406.504 2.554 40 0 HFABHM CCn1c(CN2CCc3nc(N4CCC(C)CC4)[n-]c(=O)c3C2)nc2ccccc21 ZINC000012116269 535984687 /nfs/dbraw/zinc/98/46/87/535984687.db2.gz PYHUJTYOBGCRMI-UHFFFAOYSA-N -1 3 406.534 2.934 40 0 HFABHM O=C(COc1ccc(Cl)cc1Cl)[N-]N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)C31CC1 ZINC000002298825 557335434 /nfs/dbraw/zinc/33/54/34/557335434.db2.gz CSMNFMIBTISMIE-NUMJRFHMSA-N -1 3 407.253 2.601 40 0 HFABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000408592952 557506601 /nfs/dbraw/zinc/50/66/01/557506601.db2.gz LBYQTAIAMCGJFN-QGZVFWFLSA-N -1 3 418.515 2.730 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000408612825 557530957 /nfs/dbraw/zinc/53/09/57/557530957.db2.gz YVRRZMQYFKEALT-NSHDSACASA-N -1 3 410.879 2.857 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000408617874 557534562 /nfs/dbraw/zinc/53/45/62/557534562.db2.gz DVPMEVDIKDTNQX-SECBINFHSA-N -1 3 404.822 2.932 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1c(F)cccc1F ZINC000408619642 557555044 /nfs/dbraw/zinc/55/50/44/557555044.db2.gz IBIGUYYPILNBEA-SECBINFHSA-N -1 3 404.822 2.932 40 0 HFABHM COc1ccc(OC[C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000019932200 558310759 /nfs/dbraw/zinc/31/07/59/558310759.db2.gz YMUJLLXGPSBPSO-GFCCVEGCSA-N -1 3 412.895 2.917 40 0 HFABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2Cl)cc1 ZINC000020487910 558376907 /nfs/dbraw/zinc/37/69/07/558376907.db2.gz BCJYZNMLZLDRHW-UHFFFAOYSA-N -1 3 407.923 2.837 40 0 HFABHM COc1ccc2c(CN3CCc4c(=O)[n-]c(-c5ccncc5)nc4C3)cn(C)c2c1 ZINC000012666576 558445139 /nfs/dbraw/zinc/44/51/39/558445139.db2.gz JXMFOWKEYJPUDX-UHFFFAOYSA-N -1 3 401.470 2.891 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000012989679 558496353 /nfs/dbraw/zinc/49/63/53/558496353.db2.gz XOHUZPBJAJHSIB-UHFFFAOYSA-N -1 3 412.261 2.860 40 0 HFABHM COc1ccc(CCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1OC ZINC000030755424 558736832 /nfs/dbraw/zinc/73/68/32/558736832.db2.gz VKAXJZYPKDZDLN-UHFFFAOYSA-N -1 3 412.895 2.701 40 0 HFABHM Cc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[n-]3)CN(C(C)C)CC5)CC2)on1 ZINC000019119739 558842888 /nfs/dbraw/zinc/84/28/88/558842888.db2.gz LHFMGYYSYKMLIA-UHFFFAOYSA-N -1 3 424.505 2.518 40 0 HFABHM COc1ncccc1-c1cc(=O)[n-]c([C@@H]2CCN(C(=O)Cc3ccc(C)cc3)C2)n1 ZINC000019209276 558847923 /nfs/dbraw/zinc/84/79/23/558847923.db2.gz PQVDKELEZBNVEG-QGZVFWFLSA-N -1 3 404.470 2.708 40 0 HFABHM O=C(c1cnn2cccnc12)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019404226 558884329 /nfs/dbraw/zinc/88/43/29/558884329.db2.gz URYLHRKXWQXOGC-UHFFFAOYSA-N -1 3 406.471 2.561 40 0 HFABHM C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CN(Cc2cccn2-c2cccnc2)CC3)C1 ZINC000019496578 558895500 /nfs/dbraw/zinc/89/55/00/558895500.db2.gz VFZIJFMYBXJZOQ-KRWDZBQOSA-N -1 3 404.518 2.750 40 0 HFABHM CC[C@@H](C)C(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000019499790 558897892 /nfs/dbraw/zinc/89/78/92/558897892.db2.gz AWVZQYNYGZVSEI-QAPCUYQASA-N -1 3 414.550 2.638 40 0 HFABHM CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccc(OC)cc2)CC3)C1 ZINC000019501123 558898976 /nfs/dbraw/zinc/89/89/76/558898976.db2.gz COURLMFQLYVQTR-KRWDZBQOSA-N -1 3 410.518 2.865 40 0 HFABHM CCOc1ccc(CC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019532798 558912870 /nfs/dbraw/zinc/91/28/70/558912870.db2.gz BHKHECUVBWNDDI-SFHVURJKSA-N -1 3 404.470 2.789 40 0 HFABHM CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc(C(F)(F)F)c1 ZINC000071980333 558916998 /nfs/dbraw/zinc/91/69/98/558916998.db2.gz QJGKGIUNGZMHQM-HNNXBMFYSA-N -1 3 400.397 2.833 40 0 HFABHM COc1ccc(C(=O)N2[C@@H](C(=O)[O-])COC23CCN(Cc2ccccc2)CC3)cc1 ZINC000071980565 558917330 /nfs/dbraw/zinc/91/73/30/558917330.db2.gz ILXDMYJCRZWMDP-HXUWFJFHSA-N -1 3 410.470 2.613 40 0 HFABHM COc1cc(CCC(=O)N2CCC[C@H]2c2nc(C)c(Cc3ccccc3)c(=O)[n-]2)on1 ZINC000019579242 558934917 /nfs/dbraw/zinc/93/49/17/558934917.db2.gz VBBKOJCCYCTEBU-IBGZPJMESA-N -1 3 422.485 2.962 40 0 HFABHM Cc1oc2c(c1C(=O)N1CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C1)CCCC2 ZINC000019581219 558936862 /nfs/dbraw/zinc/93/68/62/558936862.db2.gz SHLLAJPWKTVSSW-HNNXBMFYSA-N -1 3 410.518 2.970 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[n-]c(=O)c32)cc1C ZINC000040388616 558944421 /nfs/dbraw/zinc/94/44/21/558944421.db2.gz CNLCZLOPXXTXQA-GDZNZVCISA-N -1 3 423.517 2.934 40 0 HFABHM COc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1cncc([N-]c2ncccn2)n1 ZINC000072376450 558965920 /nfs/dbraw/zinc/96/59/20/558965920.db2.gz ZXWQBFDBEBLZNJ-OAHLLOKOSA-N -1 3 412.475 2.545 40 0 HFABHM COc1nn(Cc2cc(=O)[n-]c(N[C@H]3CCc4ccccc43)n2)c(=O)c2ccccc21 ZINC000019717567 558980346 /nfs/dbraw/zinc/98/03/46/558980346.db2.gz QXTWRXOMFXTCGV-IBGZPJMESA-N -1 3 415.453 2.636 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)o2)cc1 ZINC000001329823 560573916 /nfs/dbraw/zinc/57/39/16/560573916.db2.gz QMJNPPXOOQHTLS-UHFFFAOYSA-N -1 3 422.463 2.978 40 0 HFABHM O=C(c1ccccc1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000006674207 560632872 /nfs/dbraw/zinc/63/28/72/560632872.db2.gz XJPJANAFJYHPLZ-UHFFFAOYSA-N -1 3 414.469 2.583 40 0 HFABHM COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)ccc2[O-])C1=O ZINC000409244066 560703018 /nfs/dbraw/zinc/70/30/18/560703018.db2.gz WZFSAPOYXQLQHO-NTEUORMPSA-N -1 3 401.806 2.586 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1Cl ZINC000216417414 568465180 /nfs/dbraw/zinc/46/51/80/568465180.db2.gz XVNVHILOAFEGGJ-UHFFFAOYSA-N -1 3 404.879 2.827 40 0 HFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCc3nnc(N)s3)cc2)cc1 ZINC000222642885 568521989 /nfs/dbraw/zinc/52/19/89/568521989.db2.gz IBYJAAGNQWUMGA-UHFFFAOYSA-N -1 3 406.489 2.899 40 0 HFABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1 ZINC000223053164 568535626 /nfs/dbraw/zinc/53/56/26/568535626.db2.gz LXSBBLMXCSPXRK-CJNGLKHVSA-N -1 3 409.490 2.633 40 0 HFABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21 ZINC000223054233 568535792 /nfs/dbraw/zinc/53/57/92/568535792.db2.gz GDLMZBDZILZYSW-UKRRQHHQSA-N -1 3 409.490 2.633 40 0 HFABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(C)c3)n2)cc1 ZINC000223578809 568552183 /nfs/dbraw/zinc/55/21/83/568552183.db2.gz SQPNJODTFDIXHV-UHFFFAOYSA-N -1 3 403.460 2.931 40 0 HFABHM CN(c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1)S(C)(=O)=O ZINC000223662730 568555403 /nfs/dbraw/zinc/55/54/03/568555403.db2.gz GHILCWHFJBOIJD-UHFFFAOYSA-N -1 3 424.544 2.987 40 0 HFABHM CCOCCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224060726 568568183 /nfs/dbraw/zinc/56/81/83/568568183.db2.gz XACRUAYRORGSGZ-UHFFFAOYSA-N -1 3 406.504 2.961 40 0 HFABHM Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cncc([N-]c3ncccn3)n2)cc1F ZINC000257210040 568779009 /nfs/dbraw/zinc/77/90/09/568779009.db2.gz BSWQGJWYBHKCBR-KRWDZBQOSA-N -1 3 414.466 2.984 40 0 HFABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)[C@H]4C[C@H]4C)C3)cc(=O)[n-]2)CC1 ZINC000248168231 569316657 /nfs/dbraw/zinc/31/66/57/569316657.db2.gz QBSCHBALMCVDRS-NXHRZFHOSA-N -1 3 414.550 2.906 40 0 HFABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)[C@@H]4C[C@H]4C)C3)cc(=O)[n-]2)CC1 ZINC000248168229 569316659 /nfs/dbraw/zinc/31/66/59/569316659.db2.gz QBSCHBALMCVDRS-KBAYOESNSA-N -1 3 414.550 2.906 40 0 HFABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1Cl ZINC000006296009 569330503 /nfs/dbraw/zinc/33/05/03/569330503.db2.gz DUMLSOMFNUNEKI-UHFFFAOYSA-N -1 3 412.851 2.651 40 0 HFABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000040399999 524650035 /nfs/dbraw/zinc/65/00/35/524650035.db2.gz AGCNOEHYRVXEAN-ZDUSSCGKSA-N -1 3 419.441 2.895 40 0 HFABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 ZINC000040399805 524720259 /nfs/dbraw/zinc/72/02/59/524720259.db2.gz DRLUBEITYLYEEW-INIZCTEOSA-N -1 3 419.441 2.895 40 0 HFABHM COc1ccc(C)cc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000408616844 557543759 /nfs/dbraw/zinc/54/37/59/557543759.db2.gz BIPMABMYZHXAJK-GFCCVEGCSA-N -1 3 412.895 2.971 40 0 HFABHM CC(=O)[N-]c1nn(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(=S)s1 ZINC000016321587 558786144 /nfs/dbraw/zinc/78/61/44/558786144.db2.gz FDCCMGFJSBGNCH-UHFFFAOYSA-N -1 3 405.351 2.565 40 0 HFABHM CC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016575551 558795906 /nfs/dbraw/zinc/79/59/06/558795906.db2.gz OQQIVSGWRCEEMK-UHFFFAOYSA-N -1 3 406.504 2.798 40 0 HFABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000038828464 558815977 /nfs/dbraw/zinc/81/59/77/558815977.db2.gz BNRHNBQNTNTPIL-LZWOXQAQSA-N -1 3 409.490 2.910 40 0 HFABHM COc1ccc(CCc2nnc([N-]C(=O)c3cnn4cc(C)cnc34)s2)cc1OC ZINC000019239351 558858098 /nfs/dbraw/zinc/85/80/98/558858098.db2.gz HLMNVAJBBGPWAQ-UHFFFAOYSA-N -1 3 424.486 2.944 40 0 HFABHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c(Br)cc1Br ZINC000054363015 558867838 /nfs/dbraw/zinc/86/78/38/558867838.db2.gz KUUQSKHUVXQZBO-VIFPVBQESA-N -1 3 413.131 2.977 40 0 HFABHM O=C(c1ccncc1)N1CCc2c(=O)[n-]c([C@H]3CCCN3Cc3cccs3)nc2C1 ZINC000019343458 558872454 /nfs/dbraw/zinc/87/24/54/558872454.db2.gz AEXGTLCZNXJFDE-LJQANCHMSA-N -1 3 421.526 2.762 40 0 HFABHM O=C(C1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019405339 558884662 /nfs/dbraw/zinc/88/46/62/558884662.db2.gz UTTYDHNLJIPXSW-NRFANRHFSA-N -1 3 421.545 2.967 40 0 HFABHM O=C(CN1CCCCCC1=O)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019406647 558885071 /nfs/dbraw/zinc/88/50/71/558885071.db2.gz JUFFCOJHMKKPJV-QGZVFWFLSA-N -1 3 414.531 2.955 40 0 HFABHM C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)CN(Cc2cccn2-c2cccnc2)CC3)C1 ZINC000019496577 558895366 /nfs/dbraw/zinc/89/53/66/558895366.db2.gz VFZIJFMYBXJZOQ-QGZVFWFLSA-N -1 3 404.518 2.750 40 0 HFABHM CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCCN3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019524163 558905477 /nfs/dbraw/zinc/90/54/77/558905477.db2.gz WXLNIKXCUBBGQC-IBGZPJMESA-N -1 3 424.549 2.654 40 0 HFABHM CCOCc1cc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)ccc1OC ZINC000019531184 558911614 /nfs/dbraw/zinc/91/16/14/558911614.db2.gz NCAISEVZYVOQSQ-UHFFFAOYSA-N -1 3 412.534 2.516 40 0 HFABHM CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(Br)cc1 ZINC000071980342 558917206 /nfs/dbraw/zinc/91/72/06/558917206.db2.gz NJBLZAMVJHUONN-OAHLLOKOSA-N -1 3 411.296 2.577 40 0 HFABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cc(F)ccc1F ZINC000071980680 558917569 /nfs/dbraw/zinc/91/75/69/558917569.db2.gz IRYFRGVVMHYFEI-IBGZPJMESA-N -1 3 416.424 2.883 40 0 HFABHM COc1cccc(CNc2nc([C@H]3CC(=O)N(Cc4ccccc4)C3)cc(=O)[n-]2)c1 ZINC000019565685 558925449 /nfs/dbraw/zinc/92/54/49/558925449.db2.gz DUKCXFSFDPXEBL-SFHVURJKSA-N -1 3 404.470 2.907 40 0 HFABHM Cc1ccc2occ(CN3CCc4c(nc(N5CCC(C)CC5)[n-]c4=O)C3)c(=O)c2c1 ZINC000072335635 558936602 /nfs/dbraw/zinc/93/66/02/558936602.db2.gz JVGHCHSHVNKUSE-UHFFFAOYSA-N -1 3 420.513 2.979 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000040388740 558945284 /nfs/dbraw/zinc/94/52/84/558945284.db2.gz WJUWKRBZFYJTDT-OFQRWUPVSA-N -1 3 423.517 2.934 40 0 HFABHM COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2)n1 ZINC000019594687 558945577 /nfs/dbraw/zinc/94/55/77/558945577.db2.gz WICAJSWIKSQNHV-ZDUSSCGKSA-N -1 3 412.396 2.748 40 0 HFABHM COc1cc(Cl)c(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc1OC ZINC000019594937 558945904 /nfs/dbraw/zinc/94/59/04/558945904.db2.gz HGZCUTZKBOTEPD-UHFFFAOYSA-N -1 3 418.925 2.642 40 0 HFABHM COc1ccccc1CNc1nc([C@@H](C)n2ncc3ccccc3c2=O)cc(=O)[n-]1 ZINC000019717534 558980320 /nfs/dbraw/zinc/98/03/20/558980320.db2.gz DOQSSBURKFGBSU-CQSZACIVSA-N -1 3 403.442 2.710 40 0 HFABHM COc1ccc(C([O-])=C2[C@@H](c3ccc(O)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000000909088 560554553 /nfs/dbraw/zinc/55/45/53/560554553.db2.gz GXUUTOPJQGIEKX-IIDMSEBBSA-N -1 3 410.348 2.505 40 0 HFABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)OCC(=O)c1cccs1 ZINC000001853099 560584168 /nfs/dbraw/zinc/58/41/68/560584168.db2.gz URHJSUHFUCAMQC-UHFFFAOYSA-N -1 3 408.284 2.759 40 0 HFABHM CC(=O)Nc1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000409147580 560683640 /nfs/dbraw/zinc/68/36/40/560683640.db2.gz XLMGUOAPXQJCEY-UHFFFAOYSA-N -1 3 416.286 2.869 40 0 HFABHM Cc1ccc(S(=O)(=O)N(CCCc2c(C)nc(N)[n-]c2=O)c2ccccc2)cc1 ZINC000017005217 560687951 /nfs/dbraw/zinc/68/79/51/560687951.db2.gz RMWRIKGBNXKRSE-UHFFFAOYSA-N -1 3 412.515 2.797 40 0 HFABHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2O1 ZINC000005745735 560738466 /nfs/dbraw/zinc/73/84/66/560738466.db2.gz PLOBUPAVVRJONB-GFCCVEGCSA-N -1 3 414.277 2.576 40 0 HFABHM CC(C)=C1N=C2[N-]C(=O)C[C@@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)N2N1 ZINC000010152972 560764811 /nfs/dbraw/zinc/76/48/11/560764811.db2.gz BTQHNBQRVPTPCB-NSHDSACASA-N -1 3 401.776 2.613 40 0 HFABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223051382 568535746 /nfs/dbraw/zinc/53/57/46/568535746.db2.gz XWWYXCLKWNGGRK-INMHGKMJSA-N -1 3 423.517 2.934 40 0 HFABHM NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000223297518 568544344 /nfs/dbraw/zinc/54/43/44/568544344.db2.gz JKNKRWPWOOOENW-UHFFFAOYSA-N -1 3 412.467 2.931 40 0 HFABHM CCOc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000224801816 568597398 /nfs/dbraw/zinc/59/73/98/568597398.db2.gz KWKRYVUGYCLJTG-UHFFFAOYSA-N -1 3 418.500 2.668 40 0 HFABHM COC(=O)c1ccc(NC(=O)CCNC(=O)c2ccc3[n-]c(Cl)nc3c2)cc1 ZINC000225979431 568689862 /nfs/dbraw/zinc/68/98/62/568689862.db2.gz URQNRUKWXSLERP-UHFFFAOYSA-N -1 3 400.822 2.762 40 0 HFABHM CN(C)c1ncc2c(n1)[C@@]1(CCN(Cc3ccc([O-])c(C(F)(F)F)c3)C1)COC2 ZINC000248145038 568747679 /nfs/dbraw/zinc/74/76/79/568747679.db2.gz VPHCTKOJUJZYCJ-LJQANCHMSA-N -1 3 408.424 2.941 40 0 HFABHM O=C([O-])COc1ccccc1CN1CCC[C@H](Cc2nccnc2-c2ncc[nH]2)C1 ZINC000257306327 568806537 /nfs/dbraw/zinc/80/65/37/568806537.db2.gz STVOFJNSYAKNEA-MRXNPFEDSA-N -1 3 407.474 2.785 40 0 HFABHM COc1ccc(C([O-])=C2[C@@H](c3ccccc3OC)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013427382 569326774 /nfs/dbraw/zinc/32/67/74/569326774.db2.gz LGAGAQGJDZRIPH-MDZRGWNJSA-N -1 3 424.375 2.808 40 0 HFABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000007362168 569337452 /nfs/dbraw/zinc/33/74/52/569337452.db2.gz DDASJMHERQPDDC-KRWDZBQOSA-N -1 3 420.531 2.943 40 0 HFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(N3CCCC3=O)c2)c1 ZINC000032444179 522059609 /nfs/dbraw/zinc/05/96/09/522059609.db2.gz DGQHGUSBXLCJHW-UHFFFAOYSA-N -1 3 422.890 2.732 40 0 HFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000040390433 523181227 /nfs/dbraw/zinc/18/12/27/523181227.db2.gz BGPGDASDUQUHRJ-CVEARBPZSA-N -1 3 409.490 2.912 40 0 HFABHM COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(Cl)cc1)C3 ZINC000019821145 523493989 /nfs/dbraw/zinc/49/39/89/523493989.db2.gz KSVIUTZBEYRUAA-CYBMUJFWSA-N -1 3 413.861 2.687 40 0 HFABHM CCc1ccc(Nc2nc(-c3cnc(N4CCN(C)CC4)nc3C)cc(=O)[n-]2)cc1 ZINC000040389120 523997029 /nfs/dbraw/zinc/99/70/29/523997029.db2.gz VCYKNVPXZMKZQQ-UHFFFAOYSA-N -1 3 405.506 2.593 40 0 HFABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000040390367 524434404 /nfs/dbraw/zinc/43/44/04/524434404.db2.gz YHFAZMJRHXMLJW-HOCLYGCPSA-N -1 3 409.490 2.830 40 0 HFABHM CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408555518 557447786 /nfs/dbraw/zinc/44/77/86/557447786.db2.gz XJQBGBPREQPUDW-UHFFFAOYSA-N -1 3 413.293 2.765 40 0 HFABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000408597510 557517026 /nfs/dbraw/zinc/51/70/26/557517026.db2.gz XDDCTKWDZCOZEP-MRXNPFEDSA-N -1 3 406.504 2.634 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000408621328 557546308 /nfs/dbraw/zinc/54/63/08/557546308.db2.gz RIRIGKMQGYHDIW-UHFFFAOYSA-N -1 3 424.482 2.635 40 0 HFABHM Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(C(=O)C4CC4)CC2)[n-]c3=O)c1 ZINC000005737852 557671792 /nfs/dbraw/zinc/67/17/92/557671792.db2.gz PEDVTBCKMRJFTP-UHFFFAOYSA-N -1 3 406.490 2.708 40 0 HFABHM Cc1cccc(C)c1NC(=O)CN1CCC(Nc2nc3c(c(=O)[n-]2)CCCC3)CC1 ZINC000012113689 558327129 /nfs/dbraw/zinc/32/71/29/558327129.db2.gz CGYCOQURUBPXHI-UHFFFAOYSA-N -1 3 409.534 2.781 40 0 HFABHM COc1cccc(-c2cc(C(=O)N3C[C@@H]4c5nc(C)[n-]c(=O)c5CC[C@@H]4C3)no2)c1 ZINC000012120121 558330562 /nfs/dbraw/zinc/33/05/62/558330562.db2.gz VUQAMJTVDAWBBC-PBHICJAKSA-N -1 3 406.442 2.544 40 0 HFABHM CCOC(=O)c1[nH]c(C)c(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c1C ZINC000012122507 558330709 /nfs/dbraw/zinc/33/07/09/558330709.db2.gz GTXGPZNRQZLUFB-UHFFFAOYSA-N -1 3 407.474 2.924 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000020106711 558333772 /nfs/dbraw/zinc/33/37/72/558333772.db2.gz FBUPCZOXPNBFKU-UHFFFAOYSA-N -1 3 411.886 2.813 40 0 HFABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1 ZINC000022610327 558501635 /nfs/dbraw/zinc/50/16/35/558501635.db2.gz GUZPOCOIYCNRBY-OAHLLOKOSA-N -1 3 409.490 2.688 40 0 HFABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21 ZINC000022610282 558501705 /nfs/dbraw/zinc/50/17/05/558501705.db2.gz VRAUMBPVEQEHLY-HNNXBMFYSA-N -1 3 409.490 2.633 40 0 HFABHM CCOC(=O)c1sc([N-]C(=O)c2cnn3cccnc23)c(C(=O)OCC)c1C ZINC000018210313 558833645 /nfs/dbraw/zinc/83/36/45/558833645.db2.gz SPVWKDZUEIBPLR-UHFFFAOYSA-N -1 3 402.432 2.705 40 0 HFABHM Cc1ccc(=O)n(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)n1 ZINC000019131036 558845317 /nfs/dbraw/zinc/84/53/17/558845317.db2.gz ADFAPIUHSRHBJO-INIZCTEOSA-N -1 3 411.487 2.530 40 0 HFABHM CC(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)[C@H](C)c4ccc(C)cc4)C3)[n-]c2=O)C1 ZINC000019135679 558846168 /nfs/dbraw/zinc/84/61/68/558846168.db2.gz MRIKDXFWAQTPMQ-CRAIPNDOSA-N -1 3 408.502 2.515 40 0 HFABHM Cn1nccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019289139 558862038 /nfs/dbraw/zinc/86/20/38/558862038.db2.gz QVDCLRCVAMVUEC-IBGZPJMESA-N -1 3 424.549 2.974 40 0 HFABHM O=C(N[C@@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1)c1ccno1 ZINC000019332573 558869004 /nfs/dbraw/zinc/86/90/04/558869004.db2.gz XEJVQQUVQSKMQY-KRWDZBQOSA-N -1 3 405.389 2.673 40 0 HFABHM O=C(CN1CCCCCC1=O)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019406644 558885147 /nfs/dbraw/zinc/88/51/47/558885147.db2.gz JUFFCOJHMKKPJV-KRWDZBQOSA-N -1 3 414.531 2.955 40 0 HFABHM CC(C)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccc(N(C)C)c3)[n-]c(=O)c2C1 ZINC000019448180 558887015 /nfs/dbraw/zinc/88/70/15/558887015.db2.gz GZXGADXPQUAABW-NRFANRHFSA-N -1 3 423.561 2.970 40 0 HFABHM CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCN3Cc3ccc(OC(C)C)cc3)nc2C1 ZINC000019450642 558889116 /nfs/dbraw/zinc/88/91/16/558889116.db2.gz XEYUXBVASXOCOL-OAQYLSRUSA-N -1 3 410.518 2.799 40 0 HFABHM COc1ccccc1N1C[C@@H](c2cc(=O)[n-]c(N[C@H](C)c3cccnc3)n2)CC1=O ZINC000019459634 558893272 /nfs/dbraw/zinc/89/32/72/558893272.db2.gz UARMFJFLBQQLKJ-ZBFHGGJFSA-N -1 3 405.458 2.867 40 0 HFABHM CCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4cccs4)C3)[n-]c(=O)c2C1 ZINC000019501599 558899647 /nfs/dbraw/zinc/89/96/47/558899647.db2.gz ONHVPKJFMWAWOF-HNNXBMFYSA-N -1 3 400.548 2.896 40 0 HFABHM CCOc1ccc(C)cc1-c1csc(NC(=O)CC[C@]2(C)NC(=O)[N-]C2=O)n1 ZINC000019519871 558900875 /nfs/dbraw/zinc/90/08/75/558900875.db2.gz TZTMEHFKVQSFCF-IBGZPJMESA-N -1 3 402.476 2.834 40 0 HFABHM CCOc1ccccc1C(=O)N1CC[C@@H](c2nc(-c3cccnc3OC)cc(=O)[n-]2)C1 ZINC000019520033 558901094 /nfs/dbraw/zinc/90/10/94/558901094.db2.gz WSKAKQXOPGKBJP-OAHLLOKOSA-N -1 3 420.469 2.869 40 0 HFABHM Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(C)C)CC2 ZINC000019580391 558936112 /nfs/dbraw/zinc/93/61/12/558936112.db2.gz XFTNJLOPEHSXCO-IBGZPJMESA-N -1 3 413.522 2.850 40 0 HFABHM COc1ncccc1-c1cc(=O)[n-]c([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000019594675 558945608 /nfs/dbraw/zinc/94/56/08/558945608.db2.gz XONSXQURJUUICH-OAHLLOKOSA-N -1 3 408.433 2.538 40 0 HFABHM COc1cc(CN2CCC[C@@H](c3cc(=O)[n-]c(-c4cnccn4)n3)C2)cc(OC)c1 ZINC000019595106 558945886 /nfs/dbraw/zinc/94/58/86/558945886.db2.gz QJOVQFYDHITVMJ-MRXNPFEDSA-N -1 3 407.474 2.624 40 0 HFABHM COc1nn(Cc2cc(=O)[n-]c(NC[C@@H](C)c3ccccc3)n2)c(=O)c2ccccc21 ZINC000019717568 558980339 /nfs/dbraw/zinc/98/03/39/558980339.db2.gz KTRBNMIWNIXUKG-OAHLLOKOSA-N -1 3 417.469 2.752 40 0 HFABHM CCOC(=O)C(=O)[N-]c1sc(C(=O)Nc2cccc(C)c2)c(C)c1C(=O)OC ZINC000005007101 560620693 /nfs/dbraw/zinc/62/06/93/560620693.db2.gz URCAWNKGNIXCOP-UHFFFAOYSA-N -1 3 404.444 2.905 40 0 HFABHM Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(C(=O)C(C)C)CC2)[n-]c3=O)c1 ZINC000005737848 560627399 /nfs/dbraw/zinc/62/73/99/560627399.db2.gz JCCZDOYLRUQAEO-UHFFFAOYSA-N -1 3 408.506 2.954 40 0 HFABHM CCCN1C(=O)N/C(=C/c2cc(I)c([O-])c(OCC)c2)C1=O ZINC000409235890 560699052 /nfs/dbraw/zinc/69/90/52/560699052.db2.gz CSILNZUYSNFDPM-YRNVUSSQSA-N -1 3 416.215 2.698 40 0 HFABHM COc1ccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000007374943 560750597 /nfs/dbraw/zinc/75/05/97/560750597.db2.gz MQVAEHWBYHDCSA-UHFFFAOYSA-N -1 3 400.294 2.987 40 0 HFABHM Cc1cc(C)nc(SCc2cc(=O)[n-]c(N3CCN(Cc4ccccc4)CC3)n2)n1 ZINC000013639804 560826210 /nfs/dbraw/zinc/82/62/10/560826210.db2.gz IEYPQXTWPNJDMP-UHFFFAOYSA-N -1 3 422.558 2.791 40 0 HFABHM Cc1ccccc1-c1cc(=O)[n-]c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000014608504 560847441 /nfs/dbraw/zinc/84/74/41/560847441.db2.gz FWNDTWFFNVDEQR-UHFFFAOYSA-N -1 3 404.470 2.796 40 0 HFABHM COc1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000007986593 568487925 /nfs/dbraw/zinc/48/79/25/568487925.db2.gz HJJKDLIBRIGVBH-RKVPGOIHSA-N -1 3 410.417 2.964 40 0 HFABHM Cc1cccc(-c2noc(CNC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)n2)c1 ZINC000219287174 568489004 /nfs/dbraw/zinc/48/90/04/568489004.db2.gz RYAYCKCALBMHMF-UHFFFAOYSA-N -1 3 420.878 3.000 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000223055529 568535897 /nfs/dbraw/zinc/53/58/97/568535897.db2.gz UWSCUIVHGPZPHJ-UKRRQHHQSA-N -1 3 409.490 2.688 40 0 HFABHM CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000223303737 568544649 /nfs/dbraw/zinc/54/46/49/568544649.db2.gz ULUIEDSBFXNGBP-UHFFFAOYSA-N -1 3 413.293 2.717 40 0 HFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(-c3ccc(C)cc3)no2)c1 ZINC000223912509 568562763 /nfs/dbraw/zinc/56/27/63/568562763.db2.gz NXIXOHBBHLVKPD-UHFFFAOYSA-N -1 3 421.862 2.964 40 0 HFABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC[C@@H]3CCCO3)ccc2C)cc1 ZINC000224058840 568568212 /nfs/dbraw/zinc/56/82/12/568568212.db2.gz IKNPUNZROASIPI-KRWDZBQOSA-N -1 3 404.488 2.713 40 0 HFABHM CCC1(CC)C[C@H]([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c2ccccc2O1 ZINC000225535522 568648583 /nfs/dbraw/zinc/64/85/83/568648583.db2.gz JRPBRCUSZCRYAE-ZDUSSCGKSA-N -1 3 410.521 2.857 40 0 HFABHM O=C(Nc1ccc(OC2CSC2)cc1)C1([N-]S(=O)(=O)c2cccs2)CC1 ZINC000225930643 568686872 /nfs/dbraw/zinc/68/68/72/568686872.db2.gz UCCNOVAMVOOZTQ-UHFFFAOYSA-N -1 3 410.542 2.692 40 0 HFABHM CN(C)c1ncc2c(n1)[C@]1(CCN(Cc3ccc([O-])c(C(F)(F)F)c3)C1)COC2 ZINC000248145034 568747709 /nfs/dbraw/zinc/74/77/09/568747709.db2.gz VPHCTKOJUJZYCJ-IBGZPJMESA-N -1 3 408.424 2.941 40 0 HFABHM CN(C)C(=O)NC[C@H]1CC2(CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)O1 ZINC000306134744 568896698 /nfs/dbraw/zinc/89/66/98/568896698.db2.gz NXBJBBHEWVRRSK-CQSZACIVSA-N -1 3 401.429 2.806 40 0 HFABHM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C ZINC000007361788 569337386 /nfs/dbraw/zinc/33/73/86/569337386.db2.gz ZIBZKKHHHFBHOC-UHFFFAOYSA-N -1 3 406.504 2.717 40 0 HFABHM Cc1ccc2occ(CN3CCc4nc(N5CCC[C@@H](C)C5)[n-]c(=O)c4C3)c(=O)c2c1 ZINC000012185131 569344698 /nfs/dbraw/zinc/34/46/98/569344698.db2.gz SVVULVXXTMIBOW-MRXNPFEDSA-N -1 3 420.513 2.979 40 0 HFABHM O=C([O-])C[C@@H]1CCN(C(=O)C2CCC2)C[C@@H]1CCN1CCN(c2ccccc2)CC1 ZINC000012481371 132360985 /nfs/dbraw/zinc/36/09/85/132360985.db2.gz IQRXDUFMYADOEV-SFTDATJTSA-N -1 3 413.562 2.938 40 0 biogenic,in-vitro HFABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(C)c1)CC(=O)N2 ZINC000040399994 524650990 /nfs/dbraw/zinc/65/09/90/524650990.db2.gz DGROPIRIEOGDGW-CQSZACIVSA-N -1 3 419.441 2.895 40 0 HFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1Cl ZINC000408604968 557528439 /nfs/dbraw/zinc/52/84/39/557528439.db2.gz MGWFTOBUPIWPJP-UHFFFAOYSA-N -1 3 424.906 2.687 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000408612824 557530935 /nfs/dbraw/zinc/53/09/35/557530935.db2.gz YVRRZMQYFKEALT-LLVKDONJSA-N -1 3 410.879 2.857 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000408619643 557555094 /nfs/dbraw/zinc/55/50/94/557555094.db2.gz IBIGUYYPILNBEA-VIFPVBQESA-N -1 3 404.822 2.932 40 0 HFABHM O=C(c1ccco1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000005769306 557673796 /nfs/dbraw/zinc/67/37/96/557673796.db2.gz SJXISQITCQSALZ-OAHLLOKOSA-N -1 3 404.430 2.588 40 0 HFABHM COc1cc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)cc(Br)c1[O-] ZINC000006162693 557692422 /nfs/dbraw/zinc/69/24/22/557692422.db2.gz NKIYBJBBJHTCNN-CQSZACIVSA-N -1 3 423.267 2.995 40 0 HFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1NC(C)=O ZINC000007612604 557751674 /nfs/dbraw/zinc/75/16/74/557751674.db2.gz JDNDISQARJBEAB-UHFFFAOYSA-N -1 3 403.460 2.581 40 0 HFABHM COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](/C=C/c1ccccc1)C3 ZINC000019962300 558316041 /nfs/dbraw/zinc/31/60/41/558316041.db2.gz CJWYFBGSYJICIQ-ROJDOSBLSA-N -1 3 405.454 2.580 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000020009313 558318744 /nfs/dbraw/zinc/31/87/44/558318744.db2.gz CYGXEYAYBWTZDH-INIZCTEOSA-N -1 3 410.923 2.763 40 0 HFABHM COc1ccccc1N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1 ZINC000020050787 558328542 /nfs/dbraw/zinc/32/85/42/558328542.db2.gz IEONBVNVGDDZGG-UHFFFAOYSA-N -1 3 423.922 2.683 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1C ZINC000022610290 558501620 /nfs/dbraw/zinc/50/16/20/558501620.db2.gz PCQWMGRUVAUSFC-INIZCTEOSA-N -1 3 409.490 2.688 40 0 HFABHM CC(=O)NCCc1ccc(NCCCc2c(-c3ccccc3)nc(N)[n-]c2=O)cc1 ZINC000017040404 558812690 /nfs/dbraw/zinc/81/26/90/558812690.db2.gz UPFBVRNKMGLOPN-UHFFFAOYSA-N -1 3 405.502 2.742 40 0 HFABHM CC(C)(C)OC(=O)N[C@@H](Cc1cc(=O)[n-]c(N2CCOCC2)n1)c1ccc(F)cc1 ZINC000019083244 558840461 /nfs/dbraw/zinc/84/04/61/558840461.db2.gz VIMNRGMIEXYLAT-KRWDZBQOSA-N -1 3 418.469 2.966 40 0 HFABHM O=C(C1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339316 558871189 /nfs/dbraw/zinc/87/11/89/558871189.db2.gz WMQKARMWVSHMOH-NRFANRHFSA-N -1 3 421.545 2.967 40 0 HFABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(CC2=Cc4ccccc4OC2)C3)C[C@H](C)O1 ZINC000019497572 558896366 /nfs/dbraw/zinc/89/63/66/558896366.db2.gz MRXOEPRHXRXYEB-IYBDPMFKSA-N -1 3 408.502 2.630 40 0 HFABHM CCOc1ccc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc1OC ZINC000019533914 558913488 /nfs/dbraw/zinc/91/34/88/558913488.db2.gz UPPIEDQNIJHRLG-UHFFFAOYSA-N -1 3 406.486 2.840 40 0 HFABHM CN(C)c1ccc(C(=O)N2[C@@H](C(=O)[O-])COC23CCN(Cc2ccccc2)CC3)cc1 ZINC000071980689 558917621 /nfs/dbraw/zinc/91/76/21/558917621.db2.gz MCNISYQUCHQGSJ-OAQYLSRUSA-N -1 3 423.513 2.671 40 0 HFABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@@H]4CCN(C(=O)C5CCC5)C4)nc3C2)cc1 ZINC000019555612 558918442 /nfs/dbraw/zinc/91/84/42/558918442.db2.gz NWDDAEWGEJPYOH-GOSISDBHSA-N -1 3 422.529 2.865 40 0 HFABHM COc1cccc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1OC(F)F ZINC000019567244 558926817 /nfs/dbraw/zinc/92/68/17/558926817.db2.gz VJUVYEYUNGEDBT-UHFFFAOYSA-N -1 3 420.460 2.581 40 0 HFABHM C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CCN(Cc2coc4ccccc4c2=O)C3)C1 ZINC000072335622 558936672 /nfs/dbraw/zinc/93/66/72/558936672.db2.gz TYWMKVGLEXZPBL-HNNXBMFYSA-N -1 3 406.486 2.671 40 0 HFABHM CN(CCc1ccccn1)c1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[n-]1 ZINC000019586263 558939380 /nfs/dbraw/zinc/93/93/80/558939380.db2.gz SDCIVLIXJXHLAG-HNNXBMFYSA-N -1 3 407.449 2.503 40 0 HFABHM COCCOc1ccc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1 ZINC000019593680 558944592 /nfs/dbraw/zinc/94/45/92/558944592.db2.gz RGVXTXKTXFHLOO-LJQANCHMSA-N -1 3 406.486 2.847 40 0 HFABHM COCc1ccc(OC)c(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c1 ZINC000019594332 558945160 /nfs/dbraw/zinc/94/51/60/558945160.db2.gz BWEDLRZEKVFBTM-GOSISDBHSA-N -1 3 406.486 2.976 40 0 HFABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388943 558947458 /nfs/dbraw/zinc/94/74/58/558947458.db2.gz SDFAVGABCCOYIY-ZFWWWQNUSA-N -1 3 409.490 2.688 40 0 HFABHM Cc1csc([N-]c2ncnc3c2c(C(=O)N2CCN(C)CC2)c2ccccn23)n1 ZINC000096264404 559107522 /nfs/dbraw/zinc/10/75/22/559107522.db2.gz UNTZWDBLEHAFTI-UHFFFAOYSA-N -1 3 407.503 2.779 40 0 HFABHM COc1cc(-c2nnc(SCC(=O)N3CCCCCC3)n2C)cc(OC)c1[O-] ZINC000000919865 560554762 /nfs/dbraw/zinc/55/47/62/560554762.db2.gz JQRTVSOMVRXIDO-UHFFFAOYSA-N -1 3 406.508 2.700 40 0 HFABHM CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000001138495 560571705 /nfs/dbraw/zinc/57/17/05/560571705.db2.gz LKZPDMGUSXXHFX-GFCCVEGCSA-N -1 3 401.282 2.519 40 0 HFABHM COc1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000409173334 560686893 /nfs/dbraw/zinc/68/68/93/560686893.db2.gz PCBCBLBYTOBUSJ-UHFFFAOYSA-N -1 3 419.286 2.928 40 0 HFABHM CC(C)C(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000018157417 560871295 /nfs/dbraw/zinc/87/12/95/560871295.db2.gz NKDXBMWMXIQYBF-UHFFFAOYSA-N -1 3 414.897 2.991 40 0 HFABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3C[C@H](C)C[C@@H](C)C3)[n-]c(=O)c21 ZINC000223050870 568535674 /nfs/dbraw/zinc/53/56/74/568535674.db2.gz XQXLQOPTOBLMDA-FMKPAKJESA-N -1 3 423.517 2.879 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1C ZINC000223054408 568535830 /nfs/dbraw/zinc/53/58/30/568535830.db2.gz AAWWQWHNRHXGHE-WBMJQRKESA-N -1 3 409.490 2.688 40 0 HFABHM COC(=O)c1ccc(CS(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000223637598 568554312 /nfs/dbraw/zinc/55/43/12/568554312.db2.gz KZWXUIYIPDXXLB-UHFFFAOYSA-N -1 3 421.862 2.796 40 0 HFABHM COc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 ZINC000225388637 568633504 /nfs/dbraw/zinc/63/35/04/568633504.db2.gz GQCREYYKDIBURR-UHFFFAOYSA-N -1 3 418.500 2.586 40 0 HFABHM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3cc(C)c(OC)cc3C)n2)c1 ZINC000225764250 568672208 /nfs/dbraw/zinc/67/22/08/568672208.db2.gz WLMIXZIWFIOGPB-UHFFFAOYSA-N -1 3 403.460 2.849 40 0 HFABHM O=C([O-])COc1ccccc1CN1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257259556 568792727 /nfs/dbraw/zinc/79/27/27/568792727.db2.gz KYXGWUYJNJEJOY-MRXNPFEDSA-N -1 3 407.474 2.785 40 0 HFABHM COc1ccc(C([O-])=C2[C@@H](c3ccc(O)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013427034 569326746 /nfs/dbraw/zinc/32/67/46/569326746.db2.gz GXUUTOPJQGIEKX-RKVPGOIHSA-N -1 3 410.348 2.505 40 0 HFABHM Cc1nc([N-]c2nccnc2[C@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)sc1C ZINC000585292171 571309871 /nfs/dbraw/zinc/30/98/71/571309871.db2.gz XUTFZICFXQEIQR-LXXRFIIISA-N -1 3 423.546 3.446 40 0 HFABHM CC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399185 518375630 /nfs/dbraw/zinc/37/56/30/518375630.db2.gz NVBKYZAENFXXLC-MRXNPFEDSA-N -1 3 417.425 2.781 40 0 HFABHM CCOc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1O ZINC000001167919 557222217 /nfs/dbraw/zinc/22/22/17/557222217.db2.gz ZSDOFPOOXFKXDY-FCEWJHQRSA-N -1 3 424.375 2.895 40 0 HFABHM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)cc1OC ZINC000408604325 557526159 /nfs/dbraw/zinc/52/61/59/557526159.db2.gz LYTOVMLZDCKVJM-CQSZACIVSA-N -1 3 422.503 2.797 40 0 HFABHM O=C(c1ccco1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000005769319 557673749 /nfs/dbraw/zinc/67/37/49/557673749.db2.gz SJXISQITCQSALZ-HNNXBMFYSA-N -1 3 404.430 2.588 40 0 HFABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCc1cccnc1 ZINC000006896391 557729266 /nfs/dbraw/zinc/72/92/66/557729266.db2.gz DCRYNSGBUWIAPR-UHFFFAOYSA-N -1 3 415.446 2.717 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000020016429 558320238 /nfs/dbraw/zinc/32/02/38/558320238.db2.gz ISMQLFGEHBOMHS-SECBINFHSA-N -1 3 404.822 2.932 40 0 HFABHM CN(C)c1nc2ccccc2cc1CN1CCc2c(=O)[n-]c(N3CCCC3)nc2C1 ZINC000012132492 558333235 /nfs/dbraw/zinc/33/32/35/558333235.db2.gz DRYVSYRUKHQTFS-UHFFFAOYSA-N -1 3 404.518 2.543 40 0 HFABHM COc1cc(C(=O)N2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[n-]c(C)n3)C2)ccn1 ZINC000019285526 558859973 /nfs/dbraw/zinc/85/99/73/558859973.db2.gz FMTGHPPYXRAALP-DLBZAZTESA-N -1 3 408.433 2.644 40 0 HFABHM O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)[n-]c(=O)c2C1 ZINC000019334062 558869133 /nfs/dbraw/zinc/86/91/33/558869133.db2.gz AIBVCCVWSKQOSB-QGZVFWFLSA-N -1 3 410.493 2.583 40 0 HFABHM C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[n-]c(NC[C@@H]2COc3ccccc3O2)n1 ZINC000019457478 558892305 /nfs/dbraw/zinc/89/23/05/558892305.db2.gz RGUSZZHBGXDWMA-TZMCWYRMSA-N -1 3 401.854 2.675 40 0 HFABHM CCCn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)n1 ZINC000019526114 558907490 /nfs/dbraw/zinc/90/74/90/558907490.db2.gz MKTZWZGRWYIKQM-LJQANCHMSA-N -1 3 412.538 2.923 40 0 HFABHM Cc1c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)cnn1C ZINC000019553336 558916651 /nfs/dbraw/zinc/91/66/51/558916651.db2.gz LZLONDZZRWDARS-HXUWFJFHSA-N -1 3 424.549 2.892 40 0 HFABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(F)cc1F ZINC000071980673 558917438 /nfs/dbraw/zinc/91/74/38/558917438.db2.gz RSGCJWCDRPXTGF-LJQANCHMSA-N -1 3 416.424 2.883 40 0 HFABHM COc1ccc(CCC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019554487 558917450 /nfs/dbraw/zinc/91/74/50/558917450.db2.gz CUAKJKMVQNKYFV-SFHVURJKSA-N -1 3 404.470 2.789 40 0 HFABHM COc1ccc(CNc2nc([C@H]3CC(=O)N(c4ccccc4OC)C3)cc(=O)[n-]2)cc1 ZINC000019555903 558918713 /nfs/dbraw/zinc/91/87/13/558918713.db2.gz UIVPXQAXGWAYPC-INIZCTEOSA-N -1 3 420.469 2.920 40 0 HFABHM COc1ccc(OCC(=O)N2CCC[C@H]2c2nc(-c3ccncc3)cc(=O)[n-]2)cc1 ZINC000019556762 558919076 /nfs/dbraw/zinc/91/90/76/558919076.db2.gz JZHDUKRDHUEPGR-IBGZPJMESA-N -1 3 406.442 2.583 40 0 HFABHM Cc1nn(C(F)F)cc1S(=O)(=O)[N-]Cc1cccc(OC[C@H]2CCCO2)c1 ZINC000019583393 558937856 /nfs/dbraw/zinc/93/78/56/558937856.db2.gz IDDXXBOCUQFYOP-OAHLLOKOSA-N -1 3 401.435 2.623 40 0 HFABHM COc1ccccc1S(=O)(=O)N1CCC[C@H]1c1cncc([N-]c2ncccn2)n1 ZINC000072376451 558965834 /nfs/dbraw/zinc/96/58/34/558965834.db2.gz ZXWQBFDBEBLZNJ-HNNXBMFYSA-N -1 3 412.475 2.545 40 0 HFABHM COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377747 558966856 /nfs/dbraw/zinc/96/68/56/558966856.db2.gz LSBWHAIZGJVXMI-KRWDZBQOSA-N -1 3 412.475 2.545 40 0 HFABHM COc1cc2nc(C3CC3)n([N-]C(=O)c3ccc(F)c(F)c3)c(=O)c2cc1OC ZINC000001365148 560580017 /nfs/dbraw/zinc/58/00/17/560580017.db2.gz IPQSGZSXHDDWBQ-UHFFFAOYSA-N -1 3 401.369 2.953 40 0 HFABHM COc1ccccc1CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409392249 560719033 /nfs/dbraw/zinc/71/90/33/560719033.db2.gz QNYOTKNYQSREFE-LLVKDONJSA-N -1 3 417.314 2.985 40 0 HFABHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1COc2ccccc2O1 ZINC000005745737 560738439 /nfs/dbraw/zinc/73/84/39/560738439.db2.gz PLOBUPAVVRJONB-LBPRGKRZSA-N -1 3 414.277 2.576 40 0 HFABHM CC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)CC1 ZINC000013565525 560813284 /nfs/dbraw/zinc/81/32/84/560813284.db2.gz HHLCFJNLAJCWFA-UHFFFAOYSA-N -1 3 408.506 2.999 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000223052240 568535713 /nfs/dbraw/zinc/53/57/13/568535713.db2.gz WJUWKRBZFYJTDT-FMKPAKJESA-N -1 3 423.517 2.934 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)cc1C ZINC000223050997 568535771 /nfs/dbraw/zinc/53/57/71/568535771.db2.gz CNLCZLOPXXTXQA-XNJGSVPQSA-N -1 3 423.517 2.934 40 0 HFABHM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3c(C)cc(OC)cc3C)n2)c1 ZINC000224856686 568600748 /nfs/dbraw/zinc/60/07/48/568600748.db2.gz TXEUCPFKVJFOQP-UHFFFAOYSA-N -1 3 403.460 2.849 40 0 HFABHM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)cc2sc1=O ZINC000225018812 568609564 /nfs/dbraw/zinc/60/95/64/568609564.db2.gz JFIWRTAGPSHVJM-UHFFFAOYSA-N -1 3 419.528 2.720 40 0 HFABHM CSc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)s1 ZINC000225573959 568652815 /nfs/dbraw/zinc/65/28/15/568652815.db2.gz JYVRVRZSHWFWSW-UHFFFAOYSA-N -1 3 418.953 2.950 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000225633319 568658824 /nfs/dbraw/zinc/65/88/24/568658824.db2.gz OMVUDUJFAOLGRN-UHFFFAOYSA-N -1 3 407.879 2.947 40 0 HFABHM CC(C)Oc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2ccccc2F)cn1 ZINC000225922685 568686389 /nfs/dbraw/zinc/68/63/89/568686389.db2.gz LQBBXLJMZKJTMZ-UHFFFAOYSA-N -1 3 409.483 2.845 40 0 HFABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@@H]4CCN(C(=O)[C@H]5C[C@H]5C)C4)nc3C2)cc1 ZINC000253591485 569318193 /nfs/dbraw/zinc/31/81/93/569318193.db2.gz NXFGXNINQRZKCK-MDYRTPRTSA-N -1 3 422.529 2.721 40 0 HFABHM COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000006576935 569323323 /nfs/dbraw/zinc/32/33/23/569323323.db2.gz JLYNOMVNFPMSSJ-HDMKZQKVSA-N -1 3 412.339 2.938 40 0 HFABHM COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(I)c1[O-] ZINC000008270952 569339895 /nfs/dbraw/zinc/33/98/95/569339895.db2.gz YFIGTQBCRWVPFE-IUCAKERBSA-N -1 3 407.273 2.790 40 0 HFABHM COc1ccc(CCNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1OC ZINC000044880552 523970615 /nfs/dbraw/zinc/97/06/15/523970615.db2.gz MUIADATYQGSPKF-UHFFFAOYSA-N -1 3 412.895 2.701 40 0 HFABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2)CC(=O)N3)cc1 ZINC000040399797 524719728 /nfs/dbraw/zinc/71/97/28/524719728.db2.gz CHMSSAQVOUHPJA-OAHLLOKOSA-N -1 3 405.414 2.587 40 0 HFABHM COc1cc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)n2C)cc(OC)c1[O-] ZINC000000919860 557119012 /nfs/dbraw/zinc/11/90/12/557119012.db2.gz CZGKYCWZHYZZBV-UHFFFAOYSA-N -1 3 408.524 2.942 40 0 HFABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCc1ccco1 ZINC000408526856 557288371 /nfs/dbraw/zinc/28/83/71/557288371.db2.gz CRAFLNFGJDMKRA-UHFFFAOYSA-N -1 3 404.419 2.915 40 0 HFABHM CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000408587314 557490651 /nfs/dbraw/zinc/49/06/51/557490651.db2.gz BKYZDADOQNYOFL-NSHDSACASA-N -1 3 413.293 2.763 40 0 HFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1C ZINC000408591619 557503969 /nfs/dbraw/zinc/50/39/69/557503969.db2.gz IUKDQCKTVWERRJ-KRWDZBQOSA-N -1 3 418.515 2.730 40 0 HFABHM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(=O)N1CCOCC1 ZINC000408593171 557506957 /nfs/dbraw/zinc/50/69/57/557506957.db2.gz LTVOAVCJEAUJON-AWEZNQCLSA-N -1 3 424.906 2.767 40 0 HFABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1C(=O)N1CCOCC1 ZINC000408693174 557706875 /nfs/dbraw/zinc/70/68/75/557706875.db2.gz JWNNXJHMFDXTGF-UHFFFAOYSA-N -1 3 410.879 2.622 40 0 HFABHM COc1ccc([C@H]2CC(=O)c3cnc4c(c(=O)[n-]c(=O)n4C(C)C)c3C2)cc1OC ZINC000019821251 558290616 /nfs/dbraw/zinc/29/06/16/558290616.db2.gz LDPNSBUWDJEBJI-CYBMUJFWSA-N -1 3 409.442 2.596 40 0 HFABHM CCOc1ccc(CC(=O)N2CCC(n3nnc4c3nc(C3CC3)[n-]c4=O)CC2)cc1 ZINC000012154567 558339861 /nfs/dbraw/zinc/33/98/61/558339861.db2.gz RBLWWEZLOYBRID-UHFFFAOYSA-N -1 3 422.489 2.609 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)c(Cl)c1 ZINC000022509135 558492404 /nfs/dbraw/zinc/49/24/04/558492404.db2.gz CIBWDPACNSHJGS-UHFFFAOYSA-N -1 3 404.879 2.827 40 0 HFABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1 ZINC000022610056 558501429 /nfs/dbraw/zinc/50/14/29/558501429.db2.gz LEYQKUPKCFDIHC-MRXNPFEDSA-N -1 3 409.490 2.633 40 0 HFABHM O=c1cc([C@H]2CCN(Cc3cccc(Cl)c3Cl)C2)nc(N2CCOCC2)[n-]1 ZINC000019292611 558864518 /nfs/dbraw/zinc/86/45/18/558864518.db2.gz NGRRAISCSPATEA-ZDUSSCGKSA-N -1 3 409.317 2.903 40 0 HFABHM CC(C)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccc(N(C)C)c3)[n-]c(=O)c2C1 ZINC000019448182 558886902 /nfs/dbraw/zinc/88/69/02/558886902.db2.gz GZXGADXPQUAABW-OAQYLSRUSA-N -1 3 423.561 2.970 40 0 HFABHM CC(C)N1CCc2c(nc([C@H]3CCCN3C(=O)c3ccc4c(c3)OCO4)[n-]c2=O)C1 ZINC000019448415 558887318 /nfs/dbraw/zinc/88/73/18/558887318.db2.gz BTKWVCQFUOUUJY-QGZVFWFLSA-N -1 3 410.474 2.655 40 0 HFABHM C[C@@H](Cn1cc(Cl)cn1)c1cc(=O)[n-]c(NC[C@H]2COc3ccccc3O2)n1 ZINC000019457481 558892277 /nfs/dbraw/zinc/89/22/77/558892277.db2.gz RGUSZZHBGXDWMA-JSGCOSHPSA-N -1 3 401.854 2.675 40 0 HFABHM CC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@H](C)c3ccccc3)[n-]c2=O)C1 ZINC000019459266 558893014 /nfs/dbraw/zinc/89/30/14/558893014.db2.gz KPINWNCYSXVQQU-FOIQADDNSA-N -1 3 408.502 2.532 40 0 HFABHM CCC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)C=Cc3ccccc3)nc2C1 ZINC000019499090 558897339 /nfs/dbraw/zinc/89/73/39/558897339.db2.gz FZDAKUGCSKNKLP-YVNCXZRQSA-N -1 3 420.513 2.832 40 0 HFABHM COc1cc(CCC(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)on1 ZINC000019550435 558915251 /nfs/dbraw/zinc/91/52/51/558915251.db2.gz VKLKFSOOCUXANZ-ZDUSSCGKSA-N -1 3 414.487 2.834 40 0 HFABHM COc1ccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1 ZINC000019554116 558917207 /nfs/dbraw/zinc/91/72/07/558917207.db2.gz KEPPRYJYCHIOEX-UHFFFAOYSA-N -1 3 410.499 2.851 40 0 HFABHM Cc1nn(CCC(=O)N2CCC[C@@H]2c2nc(-c3cccnc3)cc(=O)[n-]2)c(C)c1C ZINC000019557090 558919459 /nfs/dbraw/zinc/91/94/59/558919459.db2.gz MAMVLXLNFYYFBQ-LJQANCHMSA-N -1 3 406.490 2.707 40 0 HFABHM COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccsc1)C2 ZINC000019593169 558944016 /nfs/dbraw/zinc/94/40/16/558944016.db2.gz AFKPOZLQVQAGIE-SFHVURJKSA-N -1 3 416.547 2.892 40 0 HFABHM COCCOc1ccc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1 ZINC000019593682 558944794 /nfs/dbraw/zinc/94/47/94/558944794.db2.gz RGVXTXKTXFHLOO-IBGZPJMESA-N -1 3 406.486 2.847 40 0 HFABHM Cc1[n-]n2c(nc(C(=O)NC(C)(C)CN3CCCCC3)cc2=O)c1-c1ccccc1 ZINC000100780077 559140797 /nfs/dbraw/zinc/14/07/97/559140797.db2.gz LQJUREUQKPQXBE-UHFFFAOYSA-N -1 3 407.518 2.992 40 0 HFABHM CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000001138494 560571723 /nfs/dbraw/zinc/57/17/23/560571723.db2.gz LKZPDMGUSXXHFX-LBPRGKRZSA-N -1 3 401.282 2.519 40 0 HFABHM Cc1ccc(C)c(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)C4CC4)C2)[n-]c3=O)c1 ZINC000005737879 560627379 /nfs/dbraw/zinc/62/73/79/560627379.db2.gz GFVRAKZSULSZGT-MRXNPFEDSA-N -1 3 406.490 2.708 40 0 HFABHM O=C(c1ccccc1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000013116573 560800022 /nfs/dbraw/zinc/80/00/22/560800022.db2.gz LPIUNLQZZIKWNV-GOSISDBHSA-N -1 3 414.469 2.995 40 0 HFABHM CCn1c2cc(Cl)c(S(=O)(=O)[N-]CCc3ccc(OC)cc3)cc2oc1=O ZINC000223360767 568546492 /nfs/dbraw/zinc/54/64/92/568546492.db2.gz AAGBRMDETHTNJN-UHFFFAOYSA-N -1 3 410.879 2.797 40 0 HFABHM Cc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1 ZINC000225559281 568651231 /nfs/dbraw/zinc/65/12/31/568651231.db2.gz VJYBKKTZDFDDRQ-UHFFFAOYSA-N -1 3 402.501 2.886 40 0 HFABHM COc1cccc(OC)c1CN1CCO[C@H](c2cncc([N-]c3ncccn3)n2)C1 ZINC000257207987 568778472 /nfs/dbraw/zinc/77/84/72/568778472.db2.gz BKEQNNQKZJECJW-IBGZPJMESA-N -1 3 408.462 2.601 40 0 HFABHM Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)C2)n1 ZINC000257260906 568793085 /nfs/dbraw/zinc/79/30/85/568793085.db2.gz LEZINUBYACJUHE-HKUYNNGSSA-N -1 3 406.486 2.751 40 0 HFABHM O=C(c1ccc2c(c1)OCCO2)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257295589 568803171 /nfs/dbraw/zinc/80/31/71/568803171.db2.gz QZALBXZRJFQLDN-UHFFFAOYSA-N -1 3 418.457 2.801 40 0 HFABHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000002456859 569411445 /nfs/dbraw/zinc/41/14/45/569411445.db2.gz OHWIOFCESVCQOZ-UHFFFAOYSA-N -1 3 406.851 2.893 40 0 HFABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000040399990 524650360 /nfs/dbraw/zinc/65/03/60/524650360.db2.gz LMVWFBMFMFKYGE-CQSZACIVSA-N -1 3 419.441 2.895 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)cc1C ZINC000040388614 525219129 /nfs/dbraw/zinc/21/91/29/525219129.db2.gz CNLCZLOPXXTXQA-AHIWAGSCSA-N -1 3 423.517 2.934 40 0 HFABHM CC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408533988 557319333 /nfs/dbraw/zinc/31/93/33/557319333.db2.gz RVLGVFMBCHXPHD-UHFFFAOYSA-N -1 3 424.494 2.937 40 0 HFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)cc1Cl ZINC000408559030 557456408 /nfs/dbraw/zinc/45/64/08/557456408.db2.gz KXZMTPCZHZMVJY-UHFFFAOYSA-N -1 3 410.879 2.807 40 0 HFABHM CC(C)CC(=O)N1CCC(c2nc3c(nnn3Cc3cccc(F)c3)c(=O)[n-]2)CC1 ZINC000005625009 557665690 /nfs/dbraw/zinc/66/56/90/557665690.db2.gz JCMGHXVRMKEQOZ-UHFFFAOYSA-N -1 3 412.469 2.866 40 0 HFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1OC ZINC000010008983 557853273 /nfs/dbraw/zinc/85/32/73/557853273.db2.gz MYJVTVMSXMXWTN-UHFFFAOYSA-N -1 3 408.476 2.651 40 0 HFABHM CC(=O)Nc1c(C)cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1C ZINC000012117084 558328827 /nfs/dbraw/zinc/32/88/27/558328827.db2.gz RZLRXWCEMNJHLZ-UHFFFAOYSA-N -1 3 403.460 2.702 40 0 HFABHM Cc1nn(Cc2ccccc2)c(C)c1CN1CCc2c(=O)[n-]c(N3CCCC3)nc2C1 ZINC000012132458 558332980 /nfs/dbraw/zinc/33/29/80/558332980.db2.gz MWIUKYBZENEQMU-UHFFFAOYSA-N -1 3 418.545 2.790 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000030867290 558742743 /nfs/dbraw/zinc/74/27/43/558742743.db2.gz FZVIAAJJHNUHRE-UHFFFAOYSA-N -1 3 407.923 2.670 40 0 HFABHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000016154172 558773886 /nfs/dbraw/zinc/77/38/86/558773886.db2.gz PMTGZMWMNGNZOG-UHFFFAOYSA-N -1 3 424.544 2.979 40 0 HFABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C4CC4)C3)cc(=O)[n-]2)CC1 ZINC000019085242 558841133 /nfs/dbraw/zinc/84/11/33/558841133.db2.gz LUQXNPJBGQLMIA-QGZVFWFLSA-N -1 3 400.523 2.660 40 0 HFABHM CC(=O)N1CCc2c(nc([C@H]3CCN(C(=O)[C@H](C)c4ccc(C)cc4)C3)[n-]c2=O)C1 ZINC000019135686 558846152 /nfs/dbraw/zinc/84/61/52/558846152.db2.gz MRIKDXFWAQTPMQ-QAPCUYQASA-N -1 3 408.502 2.515 40 0 HFABHM COc1ccc([C@@H]2CN(C(=O)c3ccncc3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1OC ZINC000019285440 558859895 /nfs/dbraw/zinc/85/98/95/558859895.db2.gz HLHUJNGFUBTSRP-ZWKOTPCHSA-N -1 3 420.469 2.514 40 0 HFABHM Cn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)n1 ZINC000019290943 558863421 /nfs/dbraw/zinc/86/34/21/558863421.db2.gz VAOYEENCQDXJSD-LJQANCHMSA-N -1 3 410.522 2.584 40 0 HFABHM O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339320 558871107 /nfs/dbraw/zinc/87/11/07/558871107.db2.gz WMQKARMWVSHMOH-OAQYLSRUSA-N -1 3 421.545 2.967 40 0 HFABHM O=C(Cc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)C1 ZINC000019370110 558878215 /nfs/dbraw/zinc/87/82/15/558878215.db2.gz PGPNKPYMVIHMHI-SFHVURJKSA-N -1 3 406.530 2.629 40 0 HFABHM O=C1C[C@H](c2cc(=O)[n-]c(NCc3ccc(Cl)cc3)n2)CN1Cc1ccccn1 ZINC000019401473 558883649 /nfs/dbraw/zinc/88/36/49/558883649.db2.gz SIAPIPLXAUFVHP-HNNXBMFYSA-N -1 3 409.877 2.947 40 0 HFABHM COc1ccccc1N1C[C@@H](c2cc(=O)[n-]c(N[C@@H](C)c3cccnc3)n2)CC1=O ZINC000019459630 558893231 /nfs/dbraw/zinc/89/32/31/558893231.db2.gz UARMFJFLBQQLKJ-HOCLYGCPSA-N -1 3 405.458 2.867 40 0 HFABHM C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019463343 558894430 /nfs/dbraw/zinc/89/44/30/558894430.db2.gz ULFOUKLGNKCACO-PTSWNOGYSA-N -1 3 410.493 2.787 40 0 HFABHM C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)CCN(Cc1cccn1-c1cccnc1)C2 ZINC000019496427 558895481 /nfs/dbraw/zinc/89/54/81/558895481.db2.gz MCHXGBJXYXQGEI-KRWDZBQOSA-N -1 3 404.518 2.893 40 0 HFABHM CCc1nn(C)c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1C ZINC000019521038 558902511 /nfs/dbraw/zinc/90/25/11/558902511.db2.gz OSWPUENJKSHAPG-LJQANCHMSA-N -1 3 418.501 2.878 40 0 HFABHM COc1ccc(CC(=O)N2[C@@H](C(=O)[O-])COC23CCN(Cc2ccccc2)CC3)cc1 ZINC000071980611 558917364 /nfs/dbraw/zinc/91/73/64/558917364.db2.gz JRRROOQNTUYLKR-OAQYLSRUSA-N -1 3 424.497 2.542 40 0 HFABHM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(CC2=Cc4ccccc4OC2)C3)C[C@H](C)O1 ZINC000072335587 558936776 /nfs/dbraw/zinc/93/67/76/558936776.db2.gz MRXOEPRHXRXYEB-HOTGVXAUSA-N -1 3 408.502 2.630 40 0 HFABHM COc1ccc(/C=C/CN2CCc3c(=O)[n-]c(N4C[C@@H](C)O[C@@H](C)C4)nc3C2)cc1 ZINC000072335686 558936983 /nfs/dbraw/zinc/93/69/83/558936983.db2.gz BYOLZAXNZSWWLA-PSUYNTKASA-N -1 3 410.518 2.876 40 0 HFABHM COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019593165 558944059 /nfs/dbraw/zinc/94/40/59/558944059.db2.gz BIAOFGBEFLGQGR-SFHVURJKSA-N -1 3 416.547 2.892 40 0 HFABHM O=S(=O)(c1ccc(F)cc1)N1CCC[C@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072377725 558966945 /nfs/dbraw/zinc/96/69/45/558966945.db2.gz LVDJFNCYXJUHKC-AWEZNQCLSA-N -1 3 414.466 2.718 40 0 HFABHM CC(C)(C)[C@@H]1CCc2noc(C3CCN(C(=O)CC[C@@H]4NC(=O)[N-]C4=O)CC3)c2C1 ZINC000072392412 558972190 /nfs/dbraw/zinc/97/21/90/558972190.db2.gz RLINUKSQUZVUGV-PBHICJAKSA-N -1 3 416.522 2.520 40 0 HFABHM CCOc1nc(F)cc2nc(S(=O)(=O)[N-]c3c(Cl)cccc3Cl)nn21 ZINC000002540060 560187614 /nfs/dbraw/zinc/18/76/14/560187614.db2.gz QNXAVFXEJCPCJO-UHFFFAOYSA-N -1 3 406.226 2.770 40 0 in-vitro HFABHM COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000001464504 560558054 /nfs/dbraw/zinc/55/80/54/560558054.db2.gz JLYNOMVNFPMSSJ-DAYGRLMNSA-N -1 3 412.339 2.938 40 0 HFABHM Cc1ccc(C)c(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)C4CCC4)C2)[n-]c3=O)c1 ZINC000004861921 560614084 /nfs/dbraw/zinc/61/40/84/560614084.db2.gz VEGYIWFLUWTOOI-QGZVFWFLSA-N -1 3 420.517 2.686 40 0 HFABHM CC(C)C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000005625004 560627802 /nfs/dbraw/zinc/62/78/02/560627802.db2.gz HIHQCWSTFJGDQY-CQSZACIVSA-N -1 3 414.897 2.991 40 0 HFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1 ZINC000016642858 560861206 /nfs/dbraw/zinc/86/12/06/560861206.db2.gz QRTBOWYJDUOOSH-UHFFFAOYSA-N -1 3 404.488 2.667 40 0 HFABHM O=C([O-])c1[nH]c(=O)n(-c2ccc(Oc3ccccc3)cc2)c(=O)c1CN1CCCC1 ZINC000222673075 568523147 /nfs/dbraw/zinc/52/31/47/568523147.db2.gz RQRRFQXZSNYKBN-UHFFFAOYSA-N -1 3 407.426 2.612 40 0 HFABHM COc1ccccc1[C@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000223882684 568561824 /nfs/dbraw/zinc/56/18/24/568561824.db2.gz AIJDBFJBLNMQFQ-LBPRGKRZSA-N -1 3 418.500 2.839 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(CN2CCOCC2)cc1 ZINC000224588580 568586497 /nfs/dbraw/zinc/58/64/97/568586497.db2.gz TUGDBIOEVIEGEG-UHFFFAOYSA-N -1 3 410.923 2.659 40 0 HFABHM O=C([O-])COc1ccccc1CN1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257259555 568792615 /nfs/dbraw/zinc/79/26/15/568792615.db2.gz KYXGWUYJNJEJOY-INIZCTEOSA-N -1 3 407.474 2.785 40 0 HFABHM COc1ccc(CCNC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000008117176 569339689 /nfs/dbraw/zinc/33/96/89/569339689.db2.gz JNAZXDSICHOBHE-UHFFFAOYSA-N -1 3 417.314 2.639 40 0 HFABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(C)c1)CC(=O)N2 ZINC000139110705 569354355 /nfs/dbraw/zinc/35/43/55/569354355.db2.gz NTKIWXFWSVKXBW-JKSUJKDBSA-N -1 3 409.490 2.912 40 0 HFABHM CCc1nnc([N-]c2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/CN(C)C)n2)s1 ZINC000585292741 571310037 /nfs/dbraw/zinc/31/00/37/571310037.db2.gz SCUAJHSSGDGDKL-TUPIDYKKSA-N -1 3 415.567 3.114 40 0 HFABHM COc1ccc(-c2noc([C@@H]3C[C@H]([N-]S(=O)(=O)c4cccs4)CN3C)n2)cc1 ZINC000012529941 291224714 /nfs/dbraw/zinc/22/47/14/291224714.db2.gz NFPLPXFHLUIJEI-ZFWWWQNUSA-N -1 3 420.516 2.530 40 0 biogenic,in-vitro HFABHM CC1CCN(c2nc3c(c(=O)[n-]2)CN(Cc2coc4ccccc4c2=O)CC3)CC1 ZINC000012185099 132356152 /nfs/dbraw/zinc/35/61/52/132356152.db2.gz FSBCMXBBVJQUDH-UHFFFAOYSA-N -1 3 406.486 2.671 40 0 HFABHM COc1ccc(-c2nnc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)s2)cc1 ZINC000225765168 523254802 /nfs/dbraw/zinc/25/48/02/523254802.db2.gz GNLURJBPHWGMDP-UHFFFAOYSA-N -1 3 404.473 2.838 40 0 HFABHM Cc1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)c1C ZINC000408595625 557513319 /nfs/dbraw/zinc/51/33/19/557513319.db2.gz QXPVQALMUFDGBZ-QGZVFWFLSA-N -1 3 418.515 2.730 40 0 HFABHM CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)Cc3ccccc3F)nc2C1 ZINC000019018966 558837299 /nfs/dbraw/zinc/83/72/99/558837299.db2.gz KMOLERORGXLUAJ-LJQANCHMSA-N -1 3 412.465 2.522 40 0 HFABHM CC(C)C(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000019085466 558841198 /nfs/dbraw/zinc/84/11/98/558841198.db2.gz LGHSXCBGRCQGHK-KRWDZBQOSA-N -1 3 400.523 2.660 40 0 HFABHM Cc1cnc2c(C(=O)N[C@@H](Cc3cc(=O)[n-]c(C(C)C)n3)c3ccccc3)cnn2c1 ZINC000019239326 558858042 /nfs/dbraw/zinc/85/80/42/558858042.db2.gz BDCKMXOERVHVEN-IBGZPJMESA-N -1 3 416.485 2.958 40 0 HFABHM O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339293 558871153 /nfs/dbraw/zinc/87/11/53/558871153.db2.gz IQLXDQZMZBBSFA-RXVVDRJESA-N -1 3 419.529 2.743 40 0 HFABHM O=C(c1cnn2cccnc12)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1 ZINC000019344381 558872987 /nfs/dbraw/zinc/87/29/87/558872987.db2.gz WSKGTJPIXUKTKW-CYBMUJFWSA-N -1 3 406.471 2.561 40 0 HFABHM CCc1nn(C)c(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1C ZINC000019521037 558902498 /nfs/dbraw/zinc/90/24/98/558902498.db2.gz OSWPUENJKSHAPG-IBGZPJMESA-N -1 3 418.501 2.878 40 0 HFABHM CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000071980357 558917186 /nfs/dbraw/zinc/91/71/86/558917186.db2.gz HUWRCGBTSGZYAK-HNNXBMFYSA-N -1 3 400.397 2.833 40 0 HFABHM COc1ccccc1C(=O)N1[C@H](C(=O)[O-])COC12CCN(Cc1ccccc1)CC2 ZINC000071980648 558917406 /nfs/dbraw/zinc/91/74/06/558917406.db2.gz XRTBKZOHTZRTFR-IBGZPJMESA-N -1 3 410.470 2.613 40 0 HFABHM COc1ccc(CC(=O)N2CCC[C@H]2c2nc(-c3cccnc3)cc(=O)[n-]2)cc1OC ZINC000019560458 558921612 /nfs/dbraw/zinc/92/16/12/558921612.db2.gz DCGJSPQSJURATM-SFHVURJKSA-N -1 3 420.469 2.755 40 0 HFABHM CCOC(=O)c1[nH]c(C)c(CN2CCc3c(nc(-c4cccnc4)[n-]c3=O)C2)c1C ZINC000072336826 558937423 /nfs/dbraw/zinc/93/74/23/558937423.db2.gz GJISGWLCMFFSSZ-UHFFFAOYSA-N -1 3 407.474 2.512 40 0 HFABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21 ZINC000040388897 558947262 /nfs/dbraw/zinc/94/72/62/558947262.db2.gz GDLMZBDZILZYSW-ZFWWWQNUSA-N -1 3 409.490 2.633 40 0 HFABHM O=S(=O)([N-]c1ccc([C@@H]2CCc3nncn3C2)cc1)c1ccc2c(c1)OCCO2 ZINC000019699021 558966594 /nfs/dbraw/zinc/96/65/94/558966594.db2.gz GBLUUPICSHARLG-OAHLLOKOSA-N -1 3 412.471 2.580 40 0 HFABHM O=C([O-])C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1CCN1CCN(c2ccc(F)cc2)CC1 ZINC000020463285 560092977 /nfs/dbraw/zinc/09/29/77/560092977.db2.gz KLQFMMYGOPTKFJ-OALUTQOASA-N -1 3 417.525 2.687 40 0 biogenic,in-vitro HFABHM O=C(C1CC1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)C1 ZINC000005764249 560627542 /nfs/dbraw/zinc/62/75/42/560627542.db2.gz LUDUXJGOPOKLDC-AWEZNQCLSA-N -1 3 412.881 2.745 40 0 HFABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc2c(c1)OCO2 ZINC000409173597 560686923 /nfs/dbraw/zinc/68/69/23/560686923.db2.gz MDWWBUDTHLTHTA-UHFFFAOYSA-N -1 3 403.243 2.639 40 0 HFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1C ZINC000409387400 560720012 /nfs/dbraw/zinc/72/00/12/560720012.db2.gz QAPMUYRRYDXQQE-LJQANCHMSA-N -1 3 418.515 2.778 40 0 HFABHM O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000170593794 560767610 /nfs/dbraw/zinc/76/76/10/560767610.db2.gz QVGNNPYQHRKFLA-MPGHIAIKSA-N -1 3 408.332 2.519 40 0 HFABHM COc1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000007986595 568487897 /nfs/dbraw/zinc/48/78/97/568487897.db2.gz HJJKDLIBRIGVBH-DAYGRLMNSA-N -1 3 410.417 2.964 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2nc(-c3cccs3)no2)c(Cl)c1 ZINC000219287473 568488926 /nfs/dbraw/zinc/48/89/26/568488926.db2.gz YYLKPVIWLIKTGX-UHFFFAOYSA-N -1 3 412.880 2.753 40 0 HFABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(OC)cc1 ZINC000223246378 568542460 /nfs/dbraw/zinc/54/24/60/568542460.db2.gz XLHVOVLHBYCHLR-ZDUSSCGKSA-N -1 3 412.537 2.961 40 0 HFABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(SC)cc3)n2)c(OC)c1 ZINC000223768867 568558539 /nfs/dbraw/zinc/55/85/39/568558539.db2.gz LXBJYWCMVGKBQJ-UHFFFAOYSA-N -1 3 421.500 2.954 40 0 HFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(-c3cccc(C)c3)no2)c1 ZINC000223912439 568562760 /nfs/dbraw/zinc/56/27/60/568562760.db2.gz VQMAZPAYDDFLFD-UHFFFAOYSA-N -1 3 421.862 2.964 40 0 HFABHM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(C)c3C)n2)c1 ZINC000224876043 568601639 /nfs/dbraw/zinc/60/16/39/568601639.db2.gz LZRPYXHYBFYOEG-UHFFFAOYSA-N -1 3 403.460 2.849 40 0 HFABHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000225015756 568609232 /nfs/dbraw/zinc/60/92/32/568609232.db2.gz LYVQWPPZSJAWJJ-UHFFFAOYSA-N -1 3 410.879 2.764 40 0 HFABHM Cn1c(=O)sc2cc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)ccc21 ZINC000225052237 568611349 /nfs/dbraw/zinc/61/13/49/568611349.db2.gz NCEZJNCNKOEGNY-UHFFFAOYSA-N -1 3 411.892 2.877 40 0 HFABHM Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)C2)n1 ZINC000257260909 568793051 /nfs/dbraw/zinc/79/30/51/568793051.db2.gz LEZINUBYACJUHE-PKOBYXMFSA-N -1 3 406.486 2.751 40 0 HFABHM CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(C(=O)[C@@H](N)CC(=O)[O-])C[C@@H]3C[C@H]21 ZINC000257271437 568796011 /nfs/dbraw/zinc/79/60/11/568796011.db2.gz MYIJIYZMBOBATP-NOJZPKSCSA-N -1 3 422.909 2.608 40 0 HFABHM O=C(C[C@H]1SC(=O)[N-]C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026533287 569047820 /nfs/dbraw/zinc/04/78/20/569047820.db2.gz HYZVPIZURZQPCF-GOSISDBHSA-N -1 3 409.511 2.662 40 0 HFABHM COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)[C@H]4C[C@H]4C)C3)[n-]c(=O)c2C1 ZINC000253592191 569318186 /nfs/dbraw/zinc/31/81/86/569318186.db2.gz UBJARVAUGANOPS-NXHRZFHOSA-N -1 3 422.529 2.721 40 0 HFABHM Cc1nc([N-]c2nccnc2C2CCN(C(=O)C=Cc3c[nH]cn3)CC2)sc1C ZINC000585290875 571309882 /nfs/dbraw/zinc/30/98/82/571309882.db2.gz GQTVLIHOMRZBAX-ONEGZZNKSA-N -1 3 409.519 3.436 40 0 HFABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3C[C@H](C)C[C@H](C)C3)[n-]c(=O)c21 ZINC000040388600 521903775 /nfs/dbraw/zinc/90/37/75/521903775.db2.gz XQXLQOPTOBLMDA-LZWOXQAQSA-N -1 3 423.517 2.879 40 0 HFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(C)c1)CC(=O)N2 ZINC000040390493 523181215 /nfs/dbraw/zinc/18/12/15/523181215.db2.gz NTKIWXFWSVKXBW-CVEARBPZSA-N -1 3 409.490 2.912 40 0 HFABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)c1 ZINC000408589873 557499570 /nfs/dbraw/zinc/49/95/70/557499570.db2.gz FYAGYKFOWJKNJB-KRWDZBQOSA-N -1 3 418.515 2.730 40 0 HFABHM CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408593193 557506988 /nfs/dbraw/zinc/50/69/88/557506988.db2.gz LUNUJIBHJXGJRR-NSHDSACASA-N -1 3 413.293 2.763 40 0 HFABHM COc1ccc(C)cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000408616846 557543695 /nfs/dbraw/zinc/54/36/95/557543695.db2.gz BIPMABMYZHXAJK-LBPRGKRZSA-N -1 3 412.895 2.971 40 0 HFABHM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000408677040 557682214 /nfs/dbraw/zinc/68/22/14/557682214.db2.gz PMFCMZYXZNOXMT-UHFFFAOYSA-N -1 3 424.494 2.857 40 0 HFABHM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000007362130 557739718 /nfs/dbraw/zinc/73/97/18/557739718.db2.gz UUXJWOMAOYMCJF-UHFFFAOYSA-N -1 3 420.531 2.944 40 0 HFABHM Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCC2)ccc1[N-]S(C)(=O)=O ZINC000010112982 557855879 /nfs/dbraw/zinc/85/58/79/557855879.db2.gz YBCTVPVCXOHERL-UHFFFAOYSA-N -1 3 401.488 2.855 40 0 HFABHM Cn1c2[n-]c(Sc3nc(-c4ccc(Cl)cc4)cs3)nc2c(=O)n(C)c1=O ZINC000016363726 558788470 /nfs/dbraw/zinc/78/84/70/558788470.db2.gz FMQLBIYRFFPSIH-UHFFFAOYSA-N -1 3 405.892 2.888 40 0 HFABHM CC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CCc3ccccc3)[n-]c2=O)C1 ZINC000019018930 558837294 /nfs/dbraw/zinc/83/72/94/558837294.db2.gz NBQZHPNBKWSDIY-FQEVSTJZSA-N -1 3 408.502 2.773 40 0 HFABHM CC(C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019085533 558841244 /nfs/dbraw/zinc/84/12/44/558841244.db2.gz MWTQWPLNKMBHSU-CQSZACIVSA-N -1 3 414.531 2.804 40 0 HFABHM Cc1nc(C[C@@H](NS(=O)(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019285398 558859970 /nfs/dbraw/zinc/85/99/70/558859970.db2.gz BXKMNGVMNUAMST-GOSISDBHSA-N -1 3 405.426 2.619 40 0 HFABHM Cn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)n1 ZINC000019290944 558863447 /nfs/dbraw/zinc/86/34/47/558863447.db2.gz VAOYEENCQDXJSD-IBGZPJMESA-N -1 3 410.522 2.584 40 0 HFABHM O=C(c1cnn2cccnc12)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1 ZINC000019344383 558872940 /nfs/dbraw/zinc/87/29/40/558872940.db2.gz WSKGTJPIXUKTKW-ZDUSSCGKSA-N -1 3 406.471 2.561 40 0 HFABHM CC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@H](C)c3ccccc3)[n-]c2=O)C1 ZINC000019459270 558892967 /nfs/dbraw/zinc/89/29/67/558892967.db2.gz KPINWNCYSXVQQU-QRWLVFNGSA-N -1 3 408.502 2.532 40 0 HFABHM CCSCc1nc2c(nnn2C2CCN(Cc3ccc(COC)o3)CC2)c(=O)[n-]1 ZINC000019520506 558901514 /nfs/dbraw/zinc/90/15/14/558901514.db2.gz VUNFDSSHPBOALU-UHFFFAOYSA-N -1 3 418.523 2.757 40 0 HFABHM Cc1c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)cnn1C ZINC000019553339 558916551 /nfs/dbraw/zinc/91/65/51/558916551.db2.gz LZLONDZZRWDARS-FQEVSTJZSA-N -1 3 424.549 2.892 40 0 HFABHM COc1ccccc1C(=O)N1[C@@H](C(=O)[O-])COC12CCN(Cc1ccccc1)CC2 ZINC000071980649 558917324 /nfs/dbraw/zinc/91/73/24/558917324.db2.gz XRTBKZOHTZRTFR-LJQANCHMSA-N -1 3 410.470 2.613 40 0 HFABHM COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)C4CC4)[n-]c(=O)c3C2)cc1 ZINC000019555493 558918345 /nfs/dbraw/zinc/91/83/45/558918345.db2.gz LTYCBBZAWBDMNY-HXUWFJFHSA-N -1 3 408.502 2.823 40 0 HFABHM COc1cccc(C(=O)N2CCC[C@H]2c2nc(-c3cccnc3OC)cc(=O)[n-]2)c1 ZINC000019564481 558924483 /nfs/dbraw/zinc/92/44/83/558924483.db2.gz KKSDPNKZWCPMMK-SFHVURJKSA-N -1 3 406.442 2.826 40 0 HFABHM Cc1ccc2occ(CN3CCc4c(nc(N5CCC[C@H](C)C5)[n-]c4=O)C3)c(=O)c2c1 ZINC000072335610 558936750 /nfs/dbraw/zinc/93/67/50/558936750.db2.gz LOWPMQXJKZZFEU-INIZCTEOSA-N -1 3 420.513 2.979 40 0 HFABHM Cc1cc(S(=O)(=O)N2CCC[C@H]2c2cncc([N-]c3ncccn3)n2)ccc1F ZINC000072376376 558965596 /nfs/dbraw/zinc/96/55/96/558965596.db2.gz XQBMFOYNTTWKRN-KRWDZBQOSA-N -1 3 414.466 2.984 40 0 HFABHM Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2cncc([N-]c3ncccn3)n2)ccc1F ZINC000072376375 558965628 /nfs/dbraw/zinc/96/56/28/558965628.db2.gz XQBMFOYNTTWKRN-QGZVFWFLSA-N -1 3 414.466 2.984 40 0 HFABHM O=S(=O)([N-]c1ccc([C@H]2CCc3nncn3C2)cc1)c1ccc2c(c1)OCCO2 ZINC000019699022 558966563 /nfs/dbraw/zinc/96/65/63/558966563.db2.gz GBLUUPICSHARLG-HNNXBMFYSA-N -1 3 412.471 2.580 40 0 HFABHM CCOc1ccc([C@H]2CCCN2C(=O)c2cc(CC)nc3c2c(=O)[n-]c(=O)n3C)cc1 ZINC000019714507 558974654 /nfs/dbraw/zinc/97/46/54/558974654.db2.gz WJLYFAAHCJVXKS-GOSISDBHSA-N -1 3 422.485 2.560 40 0 HFABHM C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000072399049 558976653 /nfs/dbraw/zinc/97/66/53/558976653.db2.gz GYIXNGBNPZDIMQ-ZOBUZTSGSA-N -1 3 412.559 2.752 40 0 HFABHM COc1cccc(CNc2nc([C@@H](C)n3ncc4ccccc4c3=O)cc(=O)[n-]2)c1 ZINC000019717529 558980334 /nfs/dbraw/zinc/98/03/34/558980334.db2.gz RCUFXRNQEFNWBT-CQSZACIVSA-N -1 3 403.442 2.710 40 0 HFABHM COc1ccc(CNc2nc([C@H](C)n3ncc4ccccc4c3=O)cc(=O)[n-]2)cc1 ZINC000019717927 558980863 /nfs/dbraw/zinc/98/08/63/558980863.db2.gz IMZBCAITDZKBBL-AWEZNQCLSA-N -1 3 403.442 2.710 40 0 HFABHM COc1cccc(CC(=O)N2CC[C@@H](c3nc(-c4ccc[nH]c4=O)cc(=O)[n-]3)C2)c1 ZINC000100745122 559139631 /nfs/dbraw/zinc/13/96/31/559139631.db2.gz KDAQRQALSOQYRM-OAHLLOKOSA-N -1 3 406.442 2.517 40 0 HFABHM COc1ccc(C([O-])=C2[C@H](c3ccccc3OC)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000001474136 560558050 /nfs/dbraw/zinc/55/80/50/560558050.db2.gz LGAGAQGJDZRIPH-JTDSTZFVSA-N -1 3 424.375 2.808 40 0 HFABHM CC(C)CC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000005625013 560627763 /nfs/dbraw/zinc/62/77/63/560627763.db2.gz QSLRBOXXWDTZRX-OAHLLOKOSA-N -1 3 412.469 2.866 40 0 HFABHM O=C(c1ccco1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000015907263 560857324 /nfs/dbraw/zinc/85/73/24/560857324.db2.gz FNPHAIQGPXJPFH-CQSZACIVSA-N -1 3 422.420 2.727 40 0 HFABHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000222709082 568524289 /nfs/dbraw/zinc/52/42/89/568524289.db2.gz UQYAAEZTRIXCLU-NSHDSACASA-N -1 3 410.879 2.974 40 0 HFABHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000222709016 568524321 /nfs/dbraw/zinc/52/43/21/568524321.db2.gz UQYAAEZTRIXCLU-LLVKDONJSA-N -1 3 410.879 2.974 40 0 HFABHM COc1cc(C)c([C@H](C)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1C(C)C ZINC000223384712 568547148 /nfs/dbraw/zinc/54/71/48/568547148.db2.gz ONDIEDFGFSEIMM-NSHDSACASA-N -1 3 412.537 2.976 40 0 HFABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(C)c3)n2)c(OC)c1 ZINC000223759060 568558318 /nfs/dbraw/zinc/55/83/18/568558318.db2.gz HURCHMCEXWXBLB-UHFFFAOYSA-N -1 3 419.459 2.549 40 0 HFABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3cc(C)ccc3C)n2)c(OC)c1 ZINC000223778358 568558718 /nfs/dbraw/zinc/55/87/18/568558718.db2.gz IHARABYMDSLPKS-UHFFFAOYSA-N -1 3 403.460 2.849 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223893701 568562295 /nfs/dbraw/zinc/56/22/95/568562295.db2.gz ZMKMDZZMLODCPJ-NSHDSACASA-N -1 3 403.909 2.792 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1CN1CCCC1=O ZINC000224104919 568570085 /nfs/dbraw/zinc/57/00/85/568570085.db2.gz NGZUDBQRWLXJPX-UHFFFAOYSA-N -1 3 408.907 2.950 40 0 HFABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)ccc1OC ZINC000224876103 568601677 /nfs/dbraw/zinc/60/16/77/568601677.db2.gz RRLMHNSXICCQAQ-UHFFFAOYSA-N -1 3 404.366 2.754 40 0 HFABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccc(OC)c(C)c1 ZINC000225626806 568658246 /nfs/dbraw/zinc/65/82/46/568658246.db2.gz PQYLLPNHPWPECD-ZDUSSCGKSA-N -1 3 412.537 2.879 40 0 HFABHM COc1ccc(NC(=O)[C@@](C)([N-]S(C)(=O)=O)c2ccc(F)cc2)cc1Cl ZINC000225958706 568689100 /nfs/dbraw/zinc/68/91/00/568689100.db2.gz OMPKLOWACSJWMP-KRWDZBQOSA-N -1 3 400.859 2.891 40 0 HFABHM COc1cc(C(=S)N2C[C@@H](C)O[C@@H](C)C2)cc(I)c1[O-] ZINC000008222606 569339903 /nfs/dbraw/zinc/33/99/03/569339903.db2.gz YFIGTQBCRWVPFE-DTORHVGOSA-N -1 3 407.273 2.790 40 0 HFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(-c3ccccc3)no2)c1 ZINC000045806578 522062479 /nfs/dbraw/zinc/06/24/79/522062479.db2.gz ADVDKUXSAYRVAL-UHFFFAOYSA-N -1 3 407.835 2.655 40 0 HFABHM COc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)c1 ZINC000040399242 523795495 /nfs/dbraw/zinc/79/54/95/523795495.db2.gz XQUCTRGGTIMGSL-HNNXBMFYSA-N -1 3 419.441 2.895 40 0 HFABHM COc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)c1 ZINC000040399241 523796696 /nfs/dbraw/zinc/79/66/96/523796696.db2.gz XQUCTRGGTIMGSL-OAHLLOKOSA-N -1 3 419.441 2.895 40 0 HFABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000040390379 524156423 /nfs/dbraw/zinc/15/64/23/524156423.db2.gz KJFURFLTHJBMKO-GJZGRUSLSA-N -1 3 409.490 2.830 40 0 HFABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)c1 ZINC000408598352 557508964 /nfs/dbraw/zinc/50/89/64/557508964.db2.gz ZIDUIZRLDADPRS-QGZVFWFLSA-N -1 3 418.515 2.730 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000408604333 557526378 /nfs/dbraw/zinc/52/63/78/557526378.db2.gz IEDDWRJZSMBETO-NSHDSACASA-N -1 3 417.314 2.985 40 0 HFABHM CN(C)c1cccc(C(=O)N2CCC(Nc3nc(C(F)(F)F)cc(=O)[n-]3)CC2)c1 ZINC000012114043 558327251 /nfs/dbraw/zinc/32/72/51/558327251.db2.gz LHPIEJLQKQBINZ-UHFFFAOYSA-N -1 3 409.412 2.571 40 0 HFABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000012200132 558351081 /nfs/dbraw/zinc/35/10/81/558351081.db2.gz SHOGCFQYRBSBCF-UHFFFAOYSA-N -1 3 422.846 2.581 40 0 HFABHM COCc1nc(N2CCN(c3ccc(F)cc3)CC2)[n-]c(=O)c1Cc1ccccc1 ZINC000022448577 558489952 /nfs/dbraw/zinc/48/99/52/558489952.db2.gz HVDKRGBPUHJXQR-UHFFFAOYSA-N -1 3 408.477 2.973 40 0 HFABHM CCOC(=O)Cc1c(C)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c1=O ZINC000013611813 558548818 /nfs/dbraw/zinc/54/88/18/558548818.db2.gz UABXDQSJFUGOSJ-UHFFFAOYSA-N -1 3 424.423 2.529 40 0 HFABHM CCOCc1ccc(C(=O)NCCCc2c(-c3ccccc3)nc(N)[n-]c2=O)cc1 ZINC000017039773 558812437 /nfs/dbraw/zinc/81/24/37/558812437.db2.gz QMLBIYKLLXZQDV-UHFFFAOYSA-N -1 3 406.486 2.918 40 0 HFABHM C[C@H](C(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[n-]2)CC1)N1CCCC1=O ZINC000019077871 558838571 /nfs/dbraw/zinc/83/85/71/558838571.db2.gz NXRAESPXAJQXDG-CQSZACIVSA-N -1 3 414.531 2.703 40 0 HFABHM COc1ccc(CN2CCc3nc([C@H]4CCN(C(=O)C(C)(C)C)C4)[n-]c(=O)c3C2)cc1 ZINC000019081064 558839257 /nfs/dbraw/zinc/83/92/57/558839257.db2.gz DLWBEZBZMRTNSR-KRWDZBQOSA-N -1 3 424.545 2.699 40 0 HFABHM Cc1ccc(S(=O)(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1C ZINC000019214300 558849706 /nfs/dbraw/zinc/84/97/06/558849706.db2.gz OWUQWZQZBPADNL-QGZVFWFLSA-N -1 3 410.499 2.627 40 0 HFABHM Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(N(C)CCc4ccccn4)n3)CC2=O)c1C ZINC000019235551 558854545 /nfs/dbraw/zinc/85/45/45/558854545.db2.gz DUBOERYSPZYFLP-SFHVURJKSA-N -1 3 417.513 2.981 40 0 HFABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(NCCc4ccncc4)n3)CC2=O)c1C ZINC000019235583 558854673 /nfs/dbraw/zinc/85/46/73/558854673.db2.gz IRBJFJNVNNMQQT-GOSISDBHSA-N -1 3 403.486 2.957 40 0 HFABHM O=C(c1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339373 558871116 /nfs/dbraw/zinc/87/11/16/558871116.db2.gz SZEHELIMRYZZIR-SFHVURJKSA-N -1 3 421.526 2.762 40 0 HFABHM O=c1cc([C@@H]2CCCCN2Cc2ccc(OCCO)cc2)nc(-c2cccnc2)[n-]1 ZINC000019340882 558871687 /nfs/dbraw/zinc/87/16/87/558871687.db2.gz BZZPQXBSEADVJY-NRFANRHFSA-N -1 3 406.486 2.930 40 0 HFABHM O=C(C1CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019405333 558884691 /nfs/dbraw/zinc/88/46/91/558884691.db2.gz NBHYSUSNYOIYBI-FQEVSTJZSA-N -1 3 407.518 2.577 40 0 HFABHM C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[n-]c(NC[C@H]2COc3ccccc3O2)n1 ZINC000019457483 558892195 /nfs/dbraw/zinc/89/21/95/558892195.db2.gz RGUSZZHBGXDWMA-OCCSQVGLSA-N -1 3 401.854 2.675 40 0 HFABHM CC[C@@H](C)C(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000019499788 558897744 /nfs/dbraw/zinc/89/77/44/558897744.db2.gz AWVZQYNYGZVSEI-CRAIPNDOSA-N -1 3 414.550 2.638 40 0 HFABHM CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(OC)cc2)C3)C1 ZINC000019501113 558898992 /nfs/dbraw/zinc/89/89/92/558898992.db2.gz JVMNHALOSCFKFM-KRWDZBQOSA-N -1 3 410.518 2.865 40 0 HFABHM CCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4cccc(OC)c4)C3)[n-]c(=O)c2C1 ZINC000019501591 558899771 /nfs/dbraw/zinc/89/97/71/558899771.db2.gz QRIQPYOVAFUUQF-SFHVURJKSA-N -1 3 424.545 2.843 40 0 HFABHM CCn1nccc1C(=O)N1CCc2nc([C@H]3CCCN3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019524164 558905572 /nfs/dbraw/zinc/90/55/72/558905572.db2.gz WXLNIKXCUBBGQC-LJQANCHMSA-N -1 3 424.549 2.654 40 0 HFABHM COc1cc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc(OC)c1OC ZINC000019549682 558914450 /nfs/dbraw/zinc/91/44/50/558914450.db2.gz ODIQBJYSFQPGKZ-QGZVFWFLSA-N -1 3 422.485 2.847 40 0 HFABHM CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccccc1Br ZINC000071980354 558917230 /nfs/dbraw/zinc/91/72/30/558917230.db2.gz NMJIBXOHULJNQT-OAHLLOKOSA-N -1 3 411.296 2.577 40 0 HFABHM COc1cccc(C(=O)N2[C@H](C(=O)[O-])COC23CCN(Cc2ccccc2)CC3)c1 ZINC000071980638 558917430 /nfs/dbraw/zinc/91/74/30/558917430.db2.gz XZSSFGJVSDIJNU-FQEVSTJZSA-N -1 3 410.470 2.613 40 0 HFABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cc(F)ccc1F ZINC000071980681 558917631 /nfs/dbraw/zinc/91/76/31/558917631.db2.gz IRYFRGVVMHYFEI-LJQANCHMSA-N -1 3 416.424 2.883 40 0 HFABHM O=c1[n-]c(N2CCCCC2)nc2c1CCN(Cc1cc3c(cc1Cl)OCO3)C2 ZINC000072347213 558943875 /nfs/dbraw/zinc/94/38/75/558943875.db2.gz WUUOCSHFMCNLSA-UHFFFAOYSA-N -1 3 402.882 2.701 40 0 HFABHM COCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019593140 558944089 /nfs/dbraw/zinc/94/40/89/558944089.db2.gz ORWUEPIGYHHRAL-OAHLLOKOSA-N -1 3 416.547 2.545 40 0 HFABHM COCc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3cccnc3OC)cc(=O)[n-]2)cc1 ZINC000019594419 558945310 /nfs/dbraw/zinc/94/53/10/558945310.db2.gz IWRVRIHDGAXLKG-LJQANCHMSA-N -1 3 420.469 2.964 40 0 HFABHM COCc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3cccnc3OC)cc(=O)[n-]2)cc1 ZINC000019594420 558945328 /nfs/dbraw/zinc/94/53/28/558945328.db2.gz IWRVRIHDGAXLKG-IBGZPJMESA-N -1 3 420.469 2.964 40 0 HFABHM Cc1nc2[n-]cnn2c(=O)c1CC(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000100770905 559140322 /nfs/dbraw/zinc/14/03/22/559140322.db2.gz UJUKLVGQKNIOCK-LLVKDONJSA-N -1 3 400.508 2.515 40 0 HFABHM Cc1nc2[n-]cnn2c(=O)c1CC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000100770906 559140346 /nfs/dbraw/zinc/14/03/46/559140346.db2.gz UJUKLVGQKNIOCK-NSHDSACASA-N -1 3 400.508 2.515 40 0 HFABHM Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccccc3[O-])n2C)n1 ZINC000004130581 560599642 /nfs/dbraw/zinc/59/96/42/560599642.db2.gz VLEDBVPSDCOWQK-UHFFFAOYSA-N -1 3 416.532 2.951 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000223055591 568535824 /nfs/dbraw/zinc/53/58/24/568535824.db2.gz UWSCUIVHGPZPHJ-HIFRSBDPSA-N -1 3 409.490 2.688 40 0 HFABHM CCOc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000223152091 568539639 /nfs/dbraw/zinc/53/96/39/568539639.db2.gz MHBWIFOLWHOFOB-UHFFFAOYSA-N -1 3 418.500 2.668 40 0 HFABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(SC)cc3)n2)cc1OC ZINC000223589649 568552527 /nfs/dbraw/zinc/55/25/27/568552527.db2.gz WBDHMDWXJVUECU-UHFFFAOYSA-N -1 3 421.500 2.954 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000225003984 568608374 /nfs/dbraw/zinc/60/83/74/568608374.db2.gz VSKDQPWLIORXAA-UHFFFAOYSA-N -1 3 409.895 2.800 40 0 HFABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 ZINC000225676339 568663165 /nfs/dbraw/zinc/66/31/65/568663165.db2.gz QHQKBNHWCQOFMK-UHFFFAOYSA-N -1 3 412.876 2.841 40 0 HFABHM COc1ccc(CCC(=O)N2CC[C@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000257325781 568812061 /nfs/dbraw/zinc/81/20/61/568812061.db2.gz WUKNZEYRBLOCBJ-KRWDZBQOSA-N -1 3 404.474 2.968 40 0 HFABHM COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1OC ZINC000008671845 569390012 /nfs/dbraw/zinc/39/00/12/569390012.db2.gz AVZHFFQLDMDZCV-FCEWJHQRSA-N -1 3 424.375 2.808 40 0 HFABHM Cc1nc([N-]c2nccnc2[C@@H]2CCCN(C(=O)C=Cc3c[nH]cn3)C2)sc1C ZINC000585290809 571309906 /nfs/dbraw/zinc/30/99/06/571309906.db2.gz FXPGCAWKYDUPIO-LLYBFZRZSA-N -1 3 409.519 3.436 40 0 HFABHM Cc1nc([N-]c2nccnc2[C@@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)sc1C ZINC000585293098 571309909 /nfs/dbraw/zinc/30/99/09/571309909.db2.gz WVGKMIXMYHGLNN-FYCOFBDGSA-N -1 3 423.546 3.446 40 0 HFABHM COc1ccc2c(c1)C=C(CN1CCc3nc(N4CCC(C)CC4)[n-]c(=O)c3C1)CO2 ZINC000012185109 132356122 /nfs/dbraw/zinc/35/61/22/132356122.db2.gz RUQHDQIGXGCGRD-UHFFFAOYSA-N -1 3 422.529 2.849 40 0 HFABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399231 523837262 /nfs/dbraw/zinc/83/72/62/523837262.db2.gz ZELHMVMHRPRANM-CQSZACIVSA-N -1 3 419.441 2.895 40 0 HFABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000408597536 557516922 /nfs/dbraw/zinc/51/69/22/557516922.db2.gz XJAQLGUFZXOBRG-MRXNPFEDSA-N -1 3 406.504 2.634 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000019933167 558311066 /nfs/dbraw/zinc/31/10/66/558311066.db2.gz LMGYQEORLMOUOC-UHFFFAOYSA-N -1 3 407.923 2.670 40 0 HFABHM Cc1nc(NC2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)[n-]c(=O)c1C ZINC000012113675 558327085 /nfs/dbraw/zinc/32/70/85/558327085.db2.gz UJNLSBOOHDZCNB-UHFFFAOYSA-N -1 3 423.439 2.921 40 0 HFABHM COc1ccc([C@@H]2CN(C(=O)c3ccnc(OC)c3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000012163618 558342235 /nfs/dbraw/zinc/34/22/35/558342235.db2.gz SUZFQKBDNORCPY-RBUKOAKNSA-N -1 3 420.469 2.926 40 0 HFABHM CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)Cc3ccccc3F)nc2C1 ZINC000019018963 558837270 /nfs/dbraw/zinc/83/72/70/558837270.db2.gz KMOLERORGXLUAJ-IBGZPJMESA-N -1 3 412.465 2.522 40 0 HFABHM CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)C4CC4)C3)cc(=O)[n-]2)CC1 ZINC000019085244 558841144 /nfs/dbraw/zinc/84/11/44/558841144.db2.gz LUQXNPJBGQLMIA-KRWDZBQOSA-N -1 3 400.523 2.660 40 0 HFABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(N(C)CCc4ccccn4)n3)CC2=O)c1C ZINC000019235552 558854487 /nfs/dbraw/zinc/85/44/87/558854487.db2.gz DUBOERYSPZYFLP-GOSISDBHSA-N -1 3 417.513 2.981 40 0 HFABHM CC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@@H](C)c3ccccc3)[n-]c2=O)C1 ZINC000019459268 558893039 /nfs/dbraw/zinc/89/30/39/558893039.db2.gz KPINWNCYSXVQQU-MGPUTAFESA-N -1 3 408.502 2.532 40 0 HFABHM CCC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)C=Cc3ccccc3)nc2C1 ZINC000019499089 558897241 /nfs/dbraw/zinc/89/72/41/558897241.db2.gz FZDAKUGCSKNKLP-SGWGQVFISA-N -1 3 420.513 2.832 40 0 HFABHM CC[C@H](C)C(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000019499791 558897788 /nfs/dbraw/zinc/89/77/88/558897788.db2.gz AWVZQYNYGZVSEI-YJBOKZPZSA-N -1 3 414.550 2.638 40 0 HFABHM COc1ccc(CC(=O)N2CCC[C@H]2c2nc(-c3cccnc3OC)cc(=O)[n-]2)cc1 ZINC000019554199 558917266 /nfs/dbraw/zinc/91/72/66/558917266.db2.gz RRWSIMSOAYBKGO-IBGZPJMESA-N -1 3 420.469 2.755 40 0 HFABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cnc4ccccc4c2)C3)C[C@@H](C)O1 ZINC000072335477 558936704 /nfs/dbraw/zinc/93/67/04/558936704.db2.gz PNGMCJXHKOZMIH-HZPDHXFCSA-N -1 3 405.502 2.902 40 0 HFABHM C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)CCN(Cc2coc4ccccc4c2=O)C3)C1 ZINC000072335621 558936718 /nfs/dbraw/zinc/93/67/18/558936718.db2.gz TYWMKVGLEXZPBL-OAHLLOKOSA-N -1 3 406.486 2.671 40 0 HFABHM CCOC(=O)c1[nH]c(C)c(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)c1C ZINC000072339861 558938628 /nfs/dbraw/zinc/93/86/28/558938628.db2.gz DDVVONJUVNBYLR-UHFFFAOYSA-N -1 3 407.474 2.924 40 0 HFABHM COc1ccc(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)cc1 ZINC000019590237 558940810 /nfs/dbraw/zinc/94/08/10/558940810.db2.gz YKGTUVIVSCFHIL-QGZVFWFLSA-N -1 3 410.518 2.518 40 0 HFABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388681 558944322 /nfs/dbraw/zinc/94/43/22/558944322.db2.gz XQWQKVRPWPSOJF-OFQRWUPVSA-N -1 3 423.517 2.934 40 0 HFABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3C[C@@H](C)C[C@H](C)C3)[n-]c(=O)c21 ZINC000040388602 558944374 /nfs/dbraw/zinc/94/43/74/558944374.db2.gz XQXLQOPTOBLMDA-OFQRWUPVSA-N -1 3 423.517 2.879 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000040388974 558947923 /nfs/dbraw/zinc/94/79/23/558947923.db2.gz UWSCUIVHGPZPHJ-ZFWWWQNUSA-N -1 3 409.490 2.688 40 0 HFABHM CC(C)(C)[C@H]1CCc2noc(C3CCN(C(=O)CC[C@@H]4NC(=O)[N-]C4=O)CC3)c2C1 ZINC000072392413 558972245 /nfs/dbraw/zinc/97/22/45/558972245.db2.gz RLINUKSQUZVUGV-YOEHRIQHSA-N -1 3 416.522 2.520 40 0 HFABHM CC(C)c1cc(C(=O)NCC(C)(C)c2ccccc2F)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000019714539 558974542 /nfs/dbraw/zinc/97/45/42/558974542.db2.gz SJEONLGFXFFRPS-UHFFFAOYSA-N -1 3 412.465 2.592 40 0 HFABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@H]4CCN(C(=O)[C@@H]5C[C@H]5C)C4)nc3C2)cc1 ZINC000072399133 558976590 /nfs/dbraw/zinc/97/65/90/558976590.db2.gz NXFGXNINQRZKCK-OXFYSEKESA-N -1 3 422.529 2.721 40 0 HFABHM COc1ccccc1CNc1nc([C@H](C)n2ncc3ccccc3c2=O)cc(=O)[n-]1 ZINC000019717535 558980352 /nfs/dbraw/zinc/98/03/52/558980352.db2.gz DOQSSBURKFGBSU-AWEZNQCLSA-N -1 3 403.442 2.710 40 0 HFABHM CCc1cc(C(=O)N2CCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CCN(C(C)C)C4)no1 ZINC000100234312 559132826 /nfs/dbraw/zinc/13/28/26/559132826.db2.gz FLTJXEDDPQXHFX-IBGZPJMESA-N -1 3 424.505 2.729 40 0 HFABHM CCc1cc(C(=O)N2CCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CCN(C(C)C)C4)on1 ZINC000100234308 559132945 /nfs/dbraw/zinc/13/29/45/559132945.db2.gz WINPYMROPKTFIR-GOSISDBHSA-N -1 3 424.505 2.729 40 0 HFABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223054738 568535800 /nfs/dbraw/zinc/53/58/00/568535800.db2.gz CIPBPHWACJXDSD-MLGOLLRUSA-N -1 3 409.490 2.688 40 0 HFABHM CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000223304763 568544661 /nfs/dbraw/zinc/54/46/61/568544661.db2.gz BNGHHVDKYIOOOD-UHFFFAOYSA-N -1 3 402.394 2.973 40 0 HFABHM Cc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 ZINC000224916868 568603910 /nfs/dbraw/zinc/60/39/10/568603910.db2.gz RNAGALGOSGAMEM-UHFFFAOYSA-N -1 3 402.501 2.886 40 0 HFABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)ccc1OC ZINC000224960715 568606048 /nfs/dbraw/zinc/60/60/48/568606048.db2.gz GRFJVAKDUQGWCP-UHFFFAOYSA-N -1 3 403.504 2.846 40 0 HFABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccc(OC)c(C)c1 ZINC000225626775 568658282 /nfs/dbraw/zinc/65/82/82/568658282.db2.gz PQYLLPNHPWPECD-CYBMUJFWSA-N -1 3 412.537 2.879 40 0 HFABHM COc1ccc(NC(=O)[C@](C)([N-]S(C)(=O)=O)c2ccc(F)cc2)cc1Cl ZINC000225958722 568689117 /nfs/dbraw/zinc/68/91/17/568689117.db2.gz OMPKLOWACSJWMP-QGZVFWFLSA-N -1 3 400.859 2.891 40 0 HFABHM O=C(C[C@@H]1SC(=O)[N-]C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026533293 569047859 /nfs/dbraw/zinc/04/78/59/569047859.db2.gz HYZVPIZURZQPCF-SFHVURJKSA-N -1 3 409.511 2.662 40 0 HFABHM COc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1O ZINC000013302717 569326820 /nfs/dbraw/zinc/32/68/20/569326820.db2.gz QPBZUNMZVMIAIG-HDMKZQKVSA-N -1 3 410.348 2.505 40 0 HFABHM CCN1CCN(C(=O)CCc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)CC1 ZINC000107943004 569353182 /nfs/dbraw/zinc/35/31/82/569353182.db2.gz UGBCEGISSVAKEF-UHFFFAOYSA-N -1 3 415.559 2.893 40 0 HFABHM Cc1nc([N-]c2nccnc2[C@@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)sc1C ZINC000585292170 571309951 /nfs/dbraw/zinc/30/99/51/571309951.db2.gz XUTFZICFXQEIQR-DKRLNXSXSA-N -1 3 423.546 3.446 40 0 HFABHM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(Br)o2)C3)C[C@H](C)O1 ZINC000072335479 524675282 /nfs/dbraw/zinc/67/52/82/524675282.db2.gz MHLRUJVOWJTUEK-RYUDHWBXSA-N -1 3 423.311 2.710 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000044884398 525216789 /nfs/dbraw/zinc/21/67/89/525216789.db2.gz ZNVKRBKLOITQIH-UHFFFAOYSA-N -1 3 411.886 2.813 40 0 HFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)c(Cl)c2)cc1 ZINC000408590525 557501449 /nfs/dbraw/zinc/50/14/49/557501449.db2.gz HRZLVQDPSFLDAV-UHFFFAOYSA-N -1 3 424.906 2.687 40 0 HFABHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)cc1 ZINC000408590600 557501857 /nfs/dbraw/zinc/50/18/57/557501857.db2.gz JXWOWGUIWQUSHG-CQSZACIVSA-N -1 3 419.503 2.738 40 0 HFABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)c1 ZINC000408598351 557508589 /nfs/dbraw/zinc/50/85/89/557508589.db2.gz ZIDUIZRLDADPRS-KRWDZBQOSA-N -1 3 418.515 2.730 40 0 HFABHM COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408677877 557684190 /nfs/dbraw/zinc/68/41/90/557684190.db2.gz SALOOMPUSNCOEC-UHFFFAOYSA-N -1 3 412.895 2.591 40 0 HFABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)N1CCN(c2ccccc2)CC1 ZINC000019937675 558312472 /nfs/dbraw/zinc/31/24/72/558312472.db2.gz QOOCPDWTZCLUBD-UHFFFAOYSA-N -1 3 408.889 2.982 40 0 HFABHM O=C(N1CCC(Nc2nc(C(F)(F)F)cc(=O)[n-]2)CC1)C1(c2ccccc2)CC1 ZINC000012114045 558327311 /nfs/dbraw/zinc/32/73/11/558327311.db2.gz SYQRXAOBVGYYED-UHFFFAOYSA-N -1 3 406.408 2.923 40 0 HFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)cc1NC(C)=O ZINC000012652498 558443967 /nfs/dbraw/zinc/44/39/67/558443967.db2.gz JQSVIJMHLKILBD-UHFFFAOYSA-N -1 3 417.487 2.890 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2-n2ccnc2)c(Cl)c1 ZINC000022511501 558492864 /nfs/dbraw/zinc/49/28/64/558492864.db2.gz ALNIXXJUDJHBIV-UHFFFAOYSA-N -1 3 404.879 2.827 40 0 HFABHM O=c1cc(C2CCN(Cc3n[nH]nc3-c3ccccc3)CC2)nc(-c2ccccn2)[n-]1 ZINC000072392855 558809162 /nfs/dbraw/zinc/80/91/62/558809162.db2.gz FPDUSKWLJCMDLA-UHFFFAOYSA-N -1 3 413.485 2.997 40 0 HFABHM O=c1cc(C2CCN(Cc3[nH]nnc3-c3ccccc3)CC2)nc(-c2ccccn2)[n-]1 ZINC000072392855 558809164 /nfs/dbraw/zinc/80/91/64/558809164.db2.gz FPDUSKWLJCMDLA-UHFFFAOYSA-N -1 3 413.485 2.997 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828366 558815813 /nfs/dbraw/zinc/81/58/13/558815813.db2.gz JMCYZXCSIDKDDH-OFQRWUPVSA-N -1 3 409.490 2.910 40 0 HFABHM CC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)CCc3ccccc3)[n-]c2=O)C1 ZINC000019018933 558837253 /nfs/dbraw/zinc/83/72/53/558837253.db2.gz NBQZHPNBKWSDIY-HXUWFJFHSA-N -1 3 408.502 2.773 40 0 HFABHM CC(C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019085540 558841270 /nfs/dbraw/zinc/84/12/70/558841270.db2.gz UKWYNURFYBUWIP-HNNXBMFYSA-N -1 3 400.548 2.752 40 0 HFABHM O=C(c1ccc(F)c(Cl)c1)N1CC[C@@H](c2nc(-c3ccc[nH]c3=O)cc(=O)[n-]2)C1 ZINC000019293200 558865017 /nfs/dbraw/zinc/86/50/17/558865017.db2.gz PTPNZZXHXYNOSO-GFCCVEGCSA-N -1 3 414.824 2.960 40 0 HFABHM O=C(c1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019293560 558865351 /nfs/dbraw/zinc/86/53/51/558865351.db2.gz BWCPAMZMIQUJHC-IBGZPJMESA-N -1 3 424.476 2.571 40 0 HFABHM O=C(C1CCC1)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019343596 558872534 /nfs/dbraw/zinc/87/25/34/558872534.db2.gz QHQZHQZGVRGQGY-INIZCTEOSA-N -1 3 412.559 2.896 40 0 HFABHM O=C(C1CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019405336 558884673 /nfs/dbraw/zinc/88/46/73/558884673.db2.gz NBHYSUSNYOIYBI-HXUWFJFHSA-N -1 3 407.518 2.577 40 0 HFABHM CC1CCN(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)CC1 ZINC000019496863 558895648 /nfs/dbraw/zinc/89/56/48/558895648.db2.gz VBUULGSZMNQYIC-UHFFFAOYSA-N -1 3 401.536 2.744 40 0 HFABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc4ncccc4c2)C3)C[C@@H](C)O1 ZINC000019497597 558896401 /nfs/dbraw/zinc/89/64/01/558896401.db2.gz AAIDJZBTZTVBNF-HZPDHXFCSA-N -1 3 405.502 2.902 40 0 HFABHM CC[C@H](C)C(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000019499789 558897898 /nfs/dbraw/zinc/89/78/98/558897898.db2.gz AWVZQYNYGZVSEI-MAUKXSAKSA-N -1 3 414.550 2.638 40 0 HFABHM CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccc(OC)cc2)CC3)C1 ZINC000019501122 558899095 /nfs/dbraw/zinc/89/90/95/558899095.db2.gz COURLMFQLYVQTR-QGZVFWFLSA-N -1 3 410.518 2.865 40 0 HFABHM COc1cc(CN2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc(OC)c1OC ZINC000019549680 558914359 /nfs/dbraw/zinc/91/43/59/558914359.db2.gz ZMNUOPXOPGGOGF-KRWDZBQOSA-N -1 3 422.485 2.847 40 0 HFABHM CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccccc1C(F)(F)F ZINC000071980383 558917180 /nfs/dbraw/zinc/91/71/80/558917180.db2.gz VEIJWGASPYYQDG-HNNXBMFYSA-N -1 3 400.397 2.833 40 0 HFABHM COc1ccccc1CC(=O)N1CCC(c2nc(-c3cccnc3)cc(=O)[n-]2)CC1 ZINC000019569508 558928515 /nfs/dbraw/zinc/92/85/15/558928515.db2.gz XXCQXTBXEPRCGW-UHFFFAOYSA-N -1 3 404.470 2.789 40 0 HFABHM C[C@H](c1cc(=O)[n-]c(NCCN(C)c2ccccc2)n1)n1ncc2ccccc2c1=O ZINC000019717488 558980117 /nfs/dbraw/zinc/98/01/17/558980117.db2.gz UCUGXHHMMOOXLB-MRXNPFEDSA-N -1 3 416.485 2.637 40 0 HFABHM C[C@H](c1cc(=O)[n-]c(N(C)CCc2ccccc2)n1)n1ncc2ccccc2c1=O ZINC000019717766 558980786 /nfs/dbraw/zinc/98/07/86/558980786.db2.gz ZYKWIUWIEHDGPB-MRXNPFEDSA-N -1 3 401.470 2.768 40 0 HFABHM CC(C)(C)C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000005624902 560627798 /nfs/dbraw/zinc/62/77/98/560627798.db2.gz JDBZUYBIRLADNT-AWEZNQCLSA-N -1 3 412.469 2.866 40 0 HFABHM COc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000222934461 568531518 /nfs/dbraw/zinc/53/15/18/568531518.db2.gz RLCYPVBZFHNGEQ-UHFFFAOYSA-N -1 3 418.500 2.586 40 0 HFABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC[C@H]3CCCO3)ccc2C)cc1 ZINC000224058893 568568154 /nfs/dbraw/zinc/56/81/54/568568154.db2.gz IKNPUNZROASIPI-QGZVFWFLSA-N -1 3 404.488 2.713 40 0 HFABHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(F)cc1 ZINC000224635789 568589811 /nfs/dbraw/zinc/58/98/11/568589811.db2.gz ZODXPKXJVIIRKC-NSHDSACASA-N -1 3 406.464 2.969 40 0 HFABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3cc(C)c(OC)cc3C)n2)cc1 ZINC000224755812 568595562 /nfs/dbraw/zinc/59/55/62/568595562.db2.gz BCOXVXRYTSBDNC-UHFFFAOYSA-N -1 3 403.460 2.849 40 0 HFABHM O=S(=O)(Cc1ccccc1)[N-]c1cnc(N2CCN(c3ccccc3)CC2)nc1 ZINC000224277779 569056832 /nfs/dbraw/zinc/05/68/32/569056832.db2.gz WECMAFUAAFJDJO-UHFFFAOYSA-N -1 3 409.515 2.745 40 0 HFABHM COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)[C@H]4C[C@@H]4C)C3)[n-]c(=O)c2C1 ZINC000253592188 569318205 /nfs/dbraw/zinc/31/82/05/569318205.db2.gz UBJARVAUGANOPS-JQHSSLGASA-N -1 3 422.529 2.721 40 0 HFABHM COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)[C@@H]4C[C@H]4C)C3)[n-]c(=O)c2C1 ZINC000253592190 569318222 /nfs/dbraw/zinc/31/82/22/569318222.db2.gz UBJARVAUGANOPS-KBAYOESNSA-N -1 3 422.529 2.721 40 0 HFABHM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000006023957 569329157 /nfs/dbraw/zinc/32/91/57/569329157.db2.gz DHBLMSIOJSEPBX-UHFFFAOYSA-N -1 3 406.504 2.717 40 0 HFABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCc1cccnc1 ZINC000007361711 569337390 /nfs/dbraw/zinc/33/73/90/569337390.db2.gz WVNQPPMDWFREQK-UHFFFAOYSA-N -1 3 411.483 2.886 40 0 HFABHM C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019463267 569345512 /nfs/dbraw/zinc/34/55/12/569345512.db2.gz GYIXNGBNPZDIMQ-INMHGKMJSA-N -1 3 412.559 2.752 40 0 HFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000139114140 569354497 /nfs/dbraw/zinc/35/44/97/569354497.db2.gz MARWDCIELBFVHS-HUUCEWRRSA-N -1 3 409.490 2.912 40 0 HFABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000040390435 523032262 /nfs/dbraw/zinc/03/22/62/523032262.db2.gz BGPGDASDUQUHRJ-HOTGVXAUSA-N -1 3 409.490 2.912 40 0 HFABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000040389002 523990462 /nfs/dbraw/zinc/99/04/62/523990462.db2.gz JFEZAJHHMSNVMM-BBRMVZONSA-N -1 3 409.490 2.776 40 0 HFABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2)CC(=O)N3)cc1 ZINC000040399801 524719148 /nfs/dbraw/zinc/71/91/48/524719148.db2.gz ROQYVLJLIDJVBQ-INIZCTEOSA-N -1 3 419.441 2.895 40 0 HFABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408592690 557506344 /nfs/dbraw/zinc/50/63/44/557506344.db2.gz LJFLKQNZXDZUGR-CYBMUJFWSA-N -1 3 412.895 2.671 40 0 HFABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000408675266 557676823 /nfs/dbraw/zinc/67/68/23/557676823.db2.gz GZKHBWPWSYEYOE-KRWDZBQOSA-N -1 3 422.478 2.609 40 0 HFABHM CCOc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1O ZINC000008741775 557803962 /nfs/dbraw/zinc/80/39/62/557803962.db2.gz ZSDOFPOOXFKXDY-MDZRGWNJSA-N -1 3 424.375 2.895 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000020009356 558318988 /nfs/dbraw/zinc/31/89/88/558318988.db2.gz SIPWAOOAAMMUSZ-MRXNPFEDSA-N -1 3 408.907 2.517 40 0 HFABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCN(C)CC3)c2)cc1 ZINC000020459445 558371665 /nfs/dbraw/zinc/37/16/65/558371665.db2.gz KXMRGOKYCDZQGY-UHFFFAOYSA-N -1 3 407.923 2.837 40 0 HFABHM O=S(=O)(Cc1ccccc1F)[N-]c1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000022513722 558493521 /nfs/dbraw/zinc/49/35/21/558493521.db2.gz UPEQMUPTOQCNBI-UHFFFAOYSA-N -1 3 421.475 2.963 40 0 HFABHM CC(C)(C)OC(=O)N[C@H](Cc1cc(=O)[n-]c(N2CCOCC2)n1)c1ccc(F)cc1 ZINC000019083246 558840414 /nfs/dbraw/zinc/84/04/14/558840414.db2.gz VIMNRGMIEXYLAT-QGZVFWFLSA-N -1 3 418.469 2.966 40 0 HFABHM COc1cccc(OCCc2nnc([N-]C(=O)c3cnn4cc(C)cnc34)s2)c1 ZINC000019239349 558858052 /nfs/dbraw/zinc/85/80/52/558858052.db2.gz VJGFJNCHNYVAAF-UHFFFAOYSA-N -1 3 410.459 2.772 40 0 HFABHM O=C(C1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1 ZINC000019339471 558871052 /nfs/dbraw/zinc/87/10/52/558871052.db2.gz HUUGJXKXZIJPOG-LJQANCHMSA-N -1 3 421.545 2.619 40 0 HFABHM O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)C1 ZINC000019343140 558872488 /nfs/dbraw/zinc/87/24/88/558872488.db2.gz FXLKULBVFURJIQ-OAHLLOKOSA-N -1 3 412.559 2.691 40 0 HFABHM O=C(C1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019405342 558884655 /nfs/dbraw/zinc/88/46/55/558884655.db2.gz UTTYDHNLJIPXSW-OAQYLSRUSA-N -1 3 421.545 2.967 40 0 HFABHM CCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2ccc(C)cc2)CC3)C1 ZINC000019501315 558899273 /nfs/dbraw/zinc/89/92/73/558899273.db2.gz BQPITDMVWZOUCT-SFHVURJKSA-N -1 3 422.529 2.783 40 0 HFABHM CCc1[nH]nc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1C ZINC000019520974 558902272 /nfs/dbraw/zinc/90/22/72/558902272.db2.gz URJVAHHOOGBWGA-SFHVURJKSA-N -1 3 404.474 2.867 40 0 HFABHM COc1cc(CN2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc(OC)c1OC ZINC000019549678 558914391 /nfs/dbraw/zinc/91/43/91/558914391.db2.gz ZMNUOPXOPGGOGF-QGZVFWFLSA-N -1 3 422.485 2.847 40 0 HFABHM COc1ccc(CN2CCc3nc([C@H]4CCN(C(=O)C5CCC5)C4)[n-]c(=O)c3C2)cc1 ZINC000019555546 558918128 /nfs/dbraw/zinc/91/81/28/558918128.db2.gz AXPMBBUJJZFBLP-SFHVURJKSA-N -1 3 422.529 2.865 40 0 HFABHM Cc1nn(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c(C)c1C ZINC000019556572 558919057 /nfs/dbraw/zinc/91/90/57/558919057.db2.gz ORQJEAGDOOMJEV-FQEVSTJZSA-N -1 3 418.501 2.782 40 0 HFABHM CSCC[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019573983 558931813 /nfs/dbraw/zinc/93/18/13/558931813.db2.gz RCAFCJGDVOURQN-OAHLLOKOSA-N -1 3 424.482 2.785 40 0 HFABHM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cnc4ccccc4c2)C3)C[C@H](C)O1 ZINC000072335476 558936389 /nfs/dbraw/zinc/93/63/89/558936389.db2.gz PNGMCJXHKOZMIH-HOTGVXAUSA-N -1 3 405.502 2.902 40 0 HFABHM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc4ncccc4c2)C3)C[C@H](C)O1 ZINC000072347174 558943941 /nfs/dbraw/zinc/94/39/41/558943941.db2.gz AAIDJZBTZTVBNF-HOTGVXAUSA-N -1 3 405.502 2.902 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1C ZINC000040388902 558947186 /nfs/dbraw/zinc/94/71/86/558947186.db2.gz AAWWQWHNRHXGHE-BLLLJJGKSA-N -1 3 409.490 2.688 40 0 HFABHM COc1nn(Cc2cc(=O)[n-]c(NC[C@H](C)c3ccccc3)n2)c(=O)c2ccccc21 ZINC000019717569 558980235 /nfs/dbraw/zinc/98/02/35/558980235.db2.gz KTRBNMIWNIXUKG-HNNXBMFYSA-N -1 3 417.469 2.752 40 0 HFABHM COc1cccc(CC(=O)N2CC[C@H](c3nc(-c4ccc[nH]c4=O)cc(=O)[n-]3)C2)c1 ZINC000100745119 559139663 /nfs/dbraw/zinc/13/96/63/559139663.db2.gz KDAQRQALSOQYRM-HNNXBMFYSA-N -1 3 406.442 2.517 40 0 HFABHM CC(C)(C)OC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000072203296 559167916 /nfs/dbraw/zinc/16/79/16/559167916.db2.gz BHRXVLNIBDVDDS-SECBINFHSA-N -1 3 411.343 2.798 40 0 HFABHM CCOC(=O)C(=O)[N-]c1sc(C(=O)Nc2ccccc2C)c(C)c1C(=O)OC ZINC000005007066 560620687 /nfs/dbraw/zinc/62/06/87/560620687.db2.gz NYBJZNKROQHYAU-UHFFFAOYSA-N -1 3 404.444 2.905 40 0 HFABHM CN1CCN(C(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)CC1 ZINC000409383585 560717529 /nfs/dbraw/zinc/71/75/29/560717529.db2.gz XHGHBDCAZPFHPA-UHFFFAOYSA-N -1 3 409.515 2.506 40 0 HFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1C ZINC000409387393 560720002 /nfs/dbraw/zinc/72/00/02/560720002.db2.gz QAPMUYRRYDXQQE-IBGZPJMESA-N -1 3 418.515 2.778 40 0 HFABHM Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1 ZINC000219221217 568488003 /nfs/dbraw/zinc/48/80/03/568488003.db2.gz IDUXIRSMHMQRBX-UHFFFAOYSA-N -1 3 412.471 2.650 40 0 HFABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(F)cc3)n2)cc1OC ZINC000223633944 568554245 /nfs/dbraw/zinc/55/42/45/568554245.db2.gz NVHDAJXTPAURKM-UHFFFAOYSA-N -1 3 407.423 2.513 40 0 HFABHM COC(=O)c1ccc(CS(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000223657532 568555254 /nfs/dbraw/zinc/55/52/54/568555254.db2.gz ROLYRZWSXWMQSL-UHFFFAOYSA-N -1 3 421.862 2.796 40 0 HFABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOCc1ccccc1 ZINC000225146561 569284817 /nfs/dbraw/zinc/28/48/17/569284817.db2.gz UXLLYWNQDXYTOD-UHFFFAOYSA-N -1 3 400.294 2.953 40 0 HFABHM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000253590874 569318054 /nfs/dbraw/zinc/31/80/54/569318054.db2.gz GQEJABFVPSXWEN-BPAFIMBUSA-N -1 3 407.518 2.845 40 0 HFABHM Cc1cnc([N-]c2nccnc2C2CCN(C(=O)/C=C/c3cnn(C)c3)CC2)s1 ZINC000585292174 571309419 /nfs/dbraw/zinc/30/94/19/571309419.db2.gz XVOUKPPWINZVOY-ONEGZZNKSA-N -1 3 409.519 3.138 40 0 HFABHM Cc1ccc(-c2noc([C@@H]3C[C@H]([N-]S(=O)(=O)c4cccs4)CN3C)n2)cc1 ZINC000012529768 291226827 /nfs/dbraw/zinc/22/68/27/291226827.db2.gz DQJLSTFGILDTRX-GJZGRUSLSA-N -1 3 404.517 2.830 40 0 biogenic,in-vitro HFABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399179 521102890 /nfs/dbraw/zinc/10/28/90/521102890.db2.gz XODQBCPHWFQAFL-MRXNPFEDSA-N -1 3 419.441 2.977 40 0 HFABHM COc1ccc(OCC[N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000015357877 524961593 /nfs/dbraw/zinc/96/15/93/524961593.db2.gz GKKUVDAAWBYZCP-UHFFFAOYSA-N -1 3 416.293 2.824 40 0 HFABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000408590390 557499847 /nfs/dbraw/zinc/49/98/47/557499847.db2.gz GZHMBLCTWFJVMM-MRXNPFEDSA-N -1 3 406.504 2.634 40 0 HFABHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000408592452 557506290 /nfs/dbraw/zinc/50/62/90/557506290.db2.gz KMULFWJNGROZIP-MRXNPFEDSA-N -1 3 418.515 2.676 40 0 HFABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000408592951 557506556 /nfs/dbraw/zinc/50/65/56/557506556.db2.gz LBYQTAIAMCGJFN-KRWDZBQOSA-N -1 3 418.515 2.730 40 0 HFABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C ZINC000408594380 557512080 /nfs/dbraw/zinc/51/20/80/557512080.db2.gz QEBMILPQLKISAR-INIZCTEOSA-N -1 3 406.504 2.634 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000408617875 557534620 /nfs/dbraw/zinc/53/46/20/557534620.db2.gz DVPMEVDIKDTNQX-VIFPVBQESA-N -1 3 404.822 2.932 40 0 HFABHM CCN(c1ccc(C(=O)[N-]C2=S=C(c3ccc(C)cc3)N=N2)cc1)S(C)(=O)=O ZINC000408717954 557760336 /nfs/dbraw/zinc/76/03/36/557760336.db2.gz YPBPIMSWSWLLBG-UHFFFAOYSA-N -1 3 416.528 2.975 40 0 HFABHM Cc1ccc(C2=S=C([N-]C(=O)c3ccc(N(C)S(C)(=O)=O)c(C)c3)N=N2)cc1 ZINC000408717956 557760381 /nfs/dbraw/zinc/76/03/81/557760381.db2.gz AOIUUAXXAZJRDH-UHFFFAOYSA-N -1 3 416.528 2.894 40 0 HFABHM COc1ccc(OC)c([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)c1 ZINC000011859243 558289587 /nfs/dbraw/zinc/28/95/87/558289587.db2.gz ZVFKOTDNFKCGQE-FRQCXROJSA-N -1 3 424.375 2.808 40 0 HFABHM COc1ccc([C@@H]2CC(=O)c3cnc4c(c(=O)[n-]c(=O)n4C(C)C)c3C2)cc1OC ZINC000019821249 558290621 /nfs/dbraw/zinc/29/06/21/558290621.db2.gz LDPNSBUWDJEBJI-ZDUSSCGKSA-N -1 3 409.442 2.596 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000020016423 558320174 /nfs/dbraw/zinc/32/01/74/558320174.db2.gz MUMLZRGFGBOVPM-SECBINFHSA-N -1 3 404.822 2.932 40 0 HFABHM CCc1nc2c(nnn2[C@@H]2CCCN(C(=O)C3(c4ccc(C)cc4)CC3)C2)c(=O)[n-]1 ZINC000012119473 558330219 /nfs/dbraw/zinc/33/02/19/558330219.db2.gz BZHKWOGNZNUWAA-MRXNPFEDSA-N -1 3 406.490 2.693 40 0 HFABHM O=c1[n-]c(-c2cccnc2)nc2c1CN(Cc1ccc(Sc3nc[nH]n3)o1)CC2 ZINC000012122063 558330816 /nfs/dbraw/zinc/33/08/16/558330816.db2.gz FSRLEORYQCKLGY-UHFFFAOYSA-N -1 3 407.459 2.665 40 0 HFABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1 ZINC000022610315 558501680 /nfs/dbraw/zinc/50/16/80/558501680.db2.gz KNEJAOOHWASRDL-MRXNPFEDSA-N -1 3 409.490 2.688 40 0 HFABHM CC(C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019085536 558841276 /nfs/dbraw/zinc/84/12/76/558841276.db2.gz MWTQWPLNKMBHSU-AWEZNQCLSA-N -1 3 414.531 2.804 40 0 HFABHM COc1ccc([C@@H]2CN(C(=O)CN3CCC[C@H](C)C3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285474 558859929 /nfs/dbraw/zinc/85/99/29/558859929.db2.gz COQDUNVHZGWNMK-ORYQWCPZSA-N -1 3 424.545 2.528 40 0 HFABHM COc1c(Br)cc(Br)cc1-c1nnc2[n-]c(=O)c(C)nn21 ZINC000068562006 558863497 /nfs/dbraw/zinc/86/34/97/558863497.db2.gz YIGKOSUDRDTTCX-UHFFFAOYSA-N -1 3 415.045 2.734 40 0 HFABHM O=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4cccc(F)c4)C3)[n-]c(=O)c2C1 ZINC000019293840 558865453 /nfs/dbraw/zinc/86/54/53/558865453.db2.gz ZYZSNGVZCPTFKO-KRWDZBQOSA-N -1 3 410.493 2.583 40 0 HFABHM O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)C1 ZINC000019333170 558869017 /nfs/dbraw/zinc/86/90/17/558869017.db2.gz KZFYFJDIJPSBEQ-KRWDZBQOSA-N -1 3 424.520 2.768 40 0 HFABHM O=C(C1CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349247 558874892 /nfs/dbraw/zinc/87/48/92/558874892.db2.gz RHQUTAYNVAABPE-HXUWFJFHSA-N -1 3 410.493 2.931 40 0 HFABHM COc1ccccc1N1C[C@H](c2cc(=O)[n-]c(N[C@@H](C)c3cccnc3)n2)CC1=O ZINC000019459632 558893242 /nfs/dbraw/zinc/89/32/42/558893242.db2.gz UARMFJFLBQQLKJ-GOEBONIOSA-N -1 3 405.458 2.867 40 0 HFABHM C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)CN(Cc2coc4ccccc4c2=O)CC3)C1 ZINC000019496579 558895510 /nfs/dbraw/zinc/89/55/10/558895510.db2.gz FSIQRLPNTPKXSH-OAHLLOKOSA-N -1 3 406.486 2.671 40 0 HFABHM CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4cccc(F)c4)C3)[n-]c(=O)c2C1 ZINC000019501588 558899652 /nfs/dbraw/zinc/89/96/52/558899652.db2.gz SUACVJNWEBKHOL-QGZVFWFLSA-N -1 3 412.509 2.973 40 0 HFABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)CCc1ccccc1 ZINC000071980609 558917409 /nfs/dbraw/zinc/91/74/09/558917409.db2.gz LYDOBUMXCZQQFC-OAQYLSRUSA-N -1 3 408.498 2.924 40 0 HFABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(F)c(F)c1 ZINC000071980678 558917594 /nfs/dbraw/zinc/91/75/94/558917594.db2.gz ZYCWJMSVSSLVHY-IBGZPJMESA-N -1 3 416.424 2.883 40 0 HFABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@H]4CCN(C(=O)C5CCC5)C4)nc3C2)cc1 ZINC000019555615 558918494 /nfs/dbraw/zinc/91/84/94/558918494.db2.gz NWDDAEWGEJPYOH-SFHVURJKSA-N -1 3 422.529 2.865 40 0 HFABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(Br)o2)C3)C[C@@H](C)O1 ZINC000072335480 558936609 /nfs/dbraw/zinc/93/66/09/558936609.db2.gz MHLRUJVOWJTUEK-VXGBXAGGSA-N -1 3 423.311 2.710 40 0 HFABHM COCCc1ncc(CN2CCC[C@H](c3cc(=O)[n-]c(-c4cccs4)n3)C2)cn1 ZINC000019593847 558945167 /nfs/dbraw/zinc/94/51/67/558945167.db2.gz FFBKQRMWYDJBOU-INIZCTEOSA-N -1 3 411.531 2.857 40 0 HFABHM CCOc1cc(C(=S)N2CCN(CC)CC2)cc(I)c1[O-] ZINC000006953489 559229413 /nfs/dbraw/zinc/22/94/13/559229413.db2.gz HOUUAVVGCHSLNY-UHFFFAOYSA-N -1 3 420.316 2.709 40 0 HFABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)C4CCC4)CC2)[n-]c3=O)cc1 ZINC000005738576 560627412 /nfs/dbraw/zinc/62/74/12/560627412.db2.gz FSGTYXYGFUBVTO-UHFFFAOYSA-N -1 3 406.490 2.790 40 0 HFABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000055546729 568488997 /nfs/dbraw/zinc/48/89/97/568488997.db2.gz NMPNPEYWYRZBQT-UHFFFAOYSA-N -1 3 400.250 2.802 40 0 HFABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223051458 568535680 /nfs/dbraw/zinc/53/56/80/568535680.db2.gz XQWQKVRPWPSOJF-IIAWOOMASA-N -1 3 423.517 2.934 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1C ZINC000223054350 568535837 /nfs/dbraw/zinc/53/58/37/568535837.db2.gz AAWWQWHNRHXGHE-MLGOLLRUSA-N -1 3 409.490 2.688 40 0 HFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1N1C(=O)CCC1=O ZINC000223249840 568542635 /nfs/dbraw/zinc/54/26/35/568542635.db2.gz NJYLAAPFGFGGEH-UHFFFAOYSA-N -1 3 418.471 2.937 40 0 HFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000223865752 568561354 /nfs/dbraw/zinc/56/13/54/568561354.db2.gz QPRLBCBNTDDWRQ-UHFFFAOYSA-N -1 3 405.863 2.791 40 0 HFABHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000224571381 568585825 /nfs/dbraw/zinc/58/58/25/568585825.db2.gz GDHBDSRDODADIX-UHFFFAOYSA-N -1 3 413.253 2.582 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(CN2CCOCC2)c1 ZINC000224755160 568595536 /nfs/dbraw/zinc/59/55/36/568595536.db2.gz JVBWSMCVCPLDED-UHFFFAOYSA-N -1 3 410.923 2.659 40 0 HFABHM COc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2ccccc2F)c(OC)c1 ZINC000225922553 568686249 /nfs/dbraw/zinc/68/62/49/568686249.db2.gz ZWQNYQNGRZHSMG-UHFFFAOYSA-N -1 3 410.467 2.680 40 0 HFABHM CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H]1c3c([nH]c(=O)[n-]c3=O)O[C@@]1(C)C2 ZINC000257312214 568807940 /nfs/dbraw/zinc/80/79/40/568807940.db2.gz UMWZMKKVXCESAQ-BUXKBTBVSA-N -1 3 407.467 2.560 40 0 HFABHM Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@@]2(Cc3c([nH]c(=O)[n-]c3=O)O2)CC1 ZINC000257334490 568814344 /nfs/dbraw/zinc/81/43/44/568814344.db2.gz YGENTAFZTIXPMB-NRFANRHFSA-N -1 3 412.421 2.817 40 0 HFABHM Cc1ccc2occ(CN3CCc4c(nc(N5CCC[C@@H](C)C5)[n-]c4=O)C3)c(=O)c2c1 ZINC000012184742 569344702 /nfs/dbraw/zinc/34/47/02/569344702.db2.gz LOWPMQXJKZZFEU-MRXNPFEDSA-N -1 3 420.513 2.979 40 0 HFABHM O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339304 569345423 /nfs/dbraw/zinc/34/54/23/569345423.db2.gz IQLXDQZMZBBSFA-WIYYLYMNSA-N -1 3 419.529 2.743 40 0 HFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)cc1 ZINC000107805138 569352978 /nfs/dbraw/zinc/35/29/78/569352978.db2.gz RFVCKHOIYHMIMC-UHFFFAOYSA-N -1 3 404.488 2.934 40 0 HFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(C)c1)CC(=O)N2 ZINC000139110589 569354373 /nfs/dbraw/zinc/35/43/73/569354373.db2.gz NTKIWXFWSVKXBW-HZPDHXFCSA-N -1 3 409.490 2.912 40 0 HFABHM Cc1nc([N-]c2nccnc2[C@H]2CCCN(C(=O)C=Cc3c[nH]cn3)C2)sc1C ZINC000585290813 571309875 /nfs/dbraw/zinc/30/98/75/571309875.db2.gz FXPGCAWKYDUPIO-NFAHFFEMSA-N -1 3 409.519 3.436 40 0 HFABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2C)CC(=O)N3)cc1 ZINC000040399807 524721340 /nfs/dbraw/zinc/72/13/40/524721340.db2.gz DXQQKWQXSWADHJ-OAHLLOKOSA-N -1 3 419.441 2.895 40 0 HFABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCc1ccccn1 ZINC000408530328 557298339 /nfs/dbraw/zinc/29/83/39/557298339.db2.gz KFXDFCYSERUTEZ-UHFFFAOYSA-N -1 3 415.446 2.717 40 0 HFABHM CCOC(=O)[C@H]1[C@H](c2cccc(Cl)c2Cl)NC(=O)[N-][C@]1(O)C(F)(F)F ZINC000004183828 557526114 /nfs/dbraw/zinc/52/61/14/557526114.db2.gz QHWQRSRLVPZOAH-DFAYQTQMSA-N -1 3 401.168 2.778 40 0 HFABHM CCOC(=O)[C@H]1[C@H](c2cccc(Cl)c2Cl)NC(=O)[N-][C@@]1(O)C(F)(F)F ZINC000011859194 558289549 /nfs/dbraw/zinc/28/95/49/558289549.db2.gz QHWQRSRLVPZOAH-DVYJOKAKSA-N -1 3 401.168 2.778 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)NC(C)C ZINC000020009316 558318766 /nfs/dbraw/zinc/31/87/66/558318766.db2.gz CYGXEYAYBWTZDH-MRXNPFEDSA-N -1 3 410.923 2.763 40 0 HFABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1 ZINC000022610331 558501714 /nfs/dbraw/zinc/50/17/14/558501714.db2.gz GUZPOCOIYCNRBY-HNNXBMFYSA-N -1 3 409.490 2.688 40 0 HFABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000038828462 558815983 /nfs/dbraw/zinc/81/59/83/558815983.db2.gz BNRHNBQNTNTPIL-IJEWVQPXSA-N -1 3 409.490 2.910 40 0 HFABHM COc1ccccc1OCC[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000047030580 558841458 /nfs/dbraw/zinc/84/14/58/558841458.db2.gz CKFYIHNEZOUCAM-UHFFFAOYSA-N -1 3 416.293 2.824 40 0 HFABHM COc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)ccn1 ZINC000019285154 558859659 /nfs/dbraw/zinc/85/96/59/558859659.db2.gz IFYMSWIOEIXAGP-SFHVURJKSA-N -1 3 403.442 2.677 40 0 HFABHM Cc1nccn1CCC(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019288033 558861233 /nfs/dbraw/zinc/86/12/33/558861233.db2.gz OHKRGJCDYYBYBO-UHFFFAOYSA-N -1 3 411.531 2.875 40 0 HFABHM Cn1nccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019289138 558862107 /nfs/dbraw/zinc/86/21/07/558862107.db2.gz QVDCLRCVAMVUEC-LJQANCHMSA-N -1 3 424.549 2.974 40 0 HFABHM O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)C1 ZINC000019333167 558868998 /nfs/dbraw/zinc/86/89/98/558868998.db2.gz KZFYFJDIJPSBEQ-QGZVFWFLSA-N -1 3 424.520 2.768 40 0 HFABHM O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339312 558871044 /nfs/dbraw/zinc/87/10/44/558871044.db2.gz JMYUSWIHHRBBHR-HXUWFJFHSA-N -1 3 407.518 2.577 40 0 HFABHM O=C(C1CCC1)N1CCc2c(=O)[n-]c([C@@H]3CCN(Cc4ccccc4F)C3)nc2C1 ZINC000019348842 558874576 /nfs/dbraw/zinc/87/45/76/558874576.db2.gz JSJGFEOIVPEKRP-QGZVFWFLSA-N -1 3 410.493 2.583 40 0 HFABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc4ncccc4c2)C3)C[C@H](C)O1 ZINC000019497598 558896466 /nfs/dbraw/zinc/89/64/66/558896466.db2.gz AAIDJZBTZTVBNF-IYBDPMFKSA-N -1 3 405.502 2.902 40 0 HFABHM CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CCc3ccccc3)[n-]c2=O)C1 ZINC000019499103 558897294 /nfs/dbraw/zinc/89/72/94/558897294.db2.gz ZWFBJEOHVCTWNX-FQEVSTJZSA-N -1 3 422.529 2.751 40 0 HFABHM CCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019501317 558899250 /nfs/dbraw/zinc/89/92/50/558899250.db2.gz HPYLINVKCUCJJV-AWEZNQCLSA-N -1 3 414.531 2.536 40 0 HFABHM CCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccccc4F)C3)[n-]c(=O)c2C1 ZINC000019501595 558899735 /nfs/dbraw/zinc/89/97/35/558899735.db2.gz XRPJXXJBJXMXDW-KRWDZBQOSA-N -1 3 412.509 2.973 40 0 HFABHM CCc1nn(C)c(C(=O)N[C@@H](Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc2)c1C ZINC000019521039 558902450 /nfs/dbraw/zinc/90/24/50/558902450.db2.gz CDNYKIRYZCMLKK-IBGZPJMESA-N -1 3 405.502 2.965 40 0 HFABHM CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Br)cc1 ZINC000071980341 558917219 /nfs/dbraw/zinc/91/72/19/558917219.db2.gz NJBLZAMVJHUONN-HNNXBMFYSA-N -1 3 411.296 2.577 40 0 HFABHM COc1ccc(CC(=O)N2[C@H](C(=O)[O-])COC23CCN(Cc2ccccc2)CC3)cc1 ZINC000071980610 558917389 /nfs/dbraw/zinc/91/73/89/558917389.db2.gz JRRROOQNTUYLKR-NRFANRHFSA-N -1 3 424.497 2.542 40 0 HFABHM COc1cccc(CNc2nc([C@@H]3CC(=O)N(Cc4ccccc4)C3)cc(=O)[n-]2)c1 ZINC000019565688 558925698 /nfs/dbraw/zinc/92/56/98/558925698.db2.gz DUKCXFSFDPXEBL-GOSISDBHSA-N -1 3 404.470 2.907 40 0 HFABHM COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(C)c(Cc3ccccc3)c(=O)[n-]2)on1 ZINC000019579239 558934938 /nfs/dbraw/zinc/93/49/38/558934938.db2.gz VBBKOJCCYCTEBU-LJQANCHMSA-N -1 3 422.485 2.962 40 0 HFABHM COc1ccc(/C=C/CN2CCc3c(=O)[n-]c(N4C[C@H](C)O[C@@H](C)C4)nc3C2)cc1 ZINC000072335687 558936910 /nfs/dbraw/zinc/93/69/10/558936910.db2.gz BYOLZAXNZSWWLA-XLYSIVADSA-N -1 3 410.518 2.876 40 0 HFABHM Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)c3cncn3[C@H](C)c3ccccc3)C[C@H]21 ZINC000072336095 558937181 /nfs/dbraw/zinc/93/71/81/558937181.db2.gz LEPHOEDKBTXFEN-BJZITVGISA-N -1 3 403.486 2.686 40 0 HFABHM C=Cn1cc(CN2CCC(n3nnc4c3nc(CSCC)[n-]c4=O)CC2)c(C)n1 ZINC000072337404 558937797 /nfs/dbraw/zinc/93/77/97/558937797.db2.gz GCJWXDMDIFSPIF-UHFFFAOYSA-N -1 3 414.539 2.623 40 0 HFABHM COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)c(Cl)c1[O-] ZINC000016606815 559078916 /nfs/dbraw/zinc/07/89/16/559078916.db2.gz TYHYGQQIXHCAAB-KRWDZBQOSA-N -1 3 401.850 2.999 40 0 HFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1OC ZINC000007361324 560750506 /nfs/dbraw/zinc/75/05/06/560750506.db2.gz YMCXTNNZVIQHMC-UHFFFAOYSA-N -1 3 420.487 2.749 40 0 HFABHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)[n-]c3=O)cc1 ZINC000018165899 560871306 /nfs/dbraw/zinc/87/13/06/560871306.db2.gz JLHNIDJLCXUNGT-INIZCTEOSA-N -1 3 408.506 2.623 40 0 HFABHM CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000223303799 568544636 /nfs/dbraw/zinc/54/46/36/568544636.db2.gz VZYHUUMZJGAMEE-UHFFFAOYSA-N -1 3 413.293 2.717 40 0 HFABHM COc1cc(C)c([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1C(C)C ZINC000223384658 568547196 /nfs/dbraw/zinc/54/71/96/568547196.db2.gz ONDIEDFGFSEIMM-LLVKDONJSA-N -1 3 412.537 2.976 40 0 HFABHM CC(C)Oc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 ZINC000223444981 568549074 /nfs/dbraw/zinc/54/90/74/568549074.db2.gz NEYVBGYBWGVCOM-UHFFFAOYSA-N -1 3 412.537 2.788 40 0 HFABHM CCOc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 ZINC000223478104 568549962 /nfs/dbraw/zinc/54/99/62/568549962.db2.gz RHUPIDUZFKNTMD-UHFFFAOYSA-N -1 3 418.500 2.668 40 0 HFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 ZINC000223598260 568552883 /nfs/dbraw/zinc/55/28/83/568552883.db2.gz BQHBHKGIMWEYQS-UHFFFAOYSA-N -1 3 404.444 2.548 40 0 HFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)c1 ZINC000223843859 568560569 /nfs/dbraw/zinc/56/05/69/568560569.db2.gz AAICWMPNMLAJAM-UHFFFAOYSA-N -1 3 423.922 2.679 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223893753 568562264 /nfs/dbraw/zinc/56/22/64/568562264.db2.gz ZMKMDZZMLODCPJ-LLVKDONJSA-N -1 3 403.909 2.792 40 0 HFABHM COc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000224839972 568599520 /nfs/dbraw/zinc/59/95/20/568599520.db2.gz JXFCFPXRLRNPKX-AWEZNQCLSA-N -1 3 424.548 2.887 40 0 HFABHM COc1cccc(OC)c1CN1CCO[C@@H](c2cncc([N-]c3ncccn3)n2)C1 ZINC000257207988 568778468 /nfs/dbraw/zinc/77/84/68/568778468.db2.gz BKEQNNQKZJECJW-LJQANCHMSA-N -1 3 408.462 2.601 40 0 HFABHM O=C([O-])COc1ccccc1CN1CCC[C@@H](Cc2nccnc2-c2ncc[nH]2)C1 ZINC000257306326 568806567 /nfs/dbraw/zinc/80/65/67/568806567.db2.gz STVOFJNSYAKNEA-INIZCTEOSA-N -1 3 407.474 2.785 40 0 HFABHM C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[n-]c(N3CCC[C@@H](C)C3)nc2C1 ZINC000012184757 132356203 /nfs/dbraw/zinc/35/62/03/132356203.db2.gz TZYYXZFSOYCCLX-SJORKVTESA-N -1 3 424.545 2.972 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000040388736 525199602 /nfs/dbraw/zinc/19/96/02/525199602.db2.gz WJUWKRBZFYJTDT-IJEWVQPXSA-N -1 3 423.517 2.934 40 0 HFABHM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408536170 557328064 /nfs/dbraw/zinc/32/80/64/557328064.db2.gz YLRKGKGJPDVFGQ-UHFFFAOYSA-N -1 3 410.467 2.548 40 0 HFABHM CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)CC1 ZINC000408547780 557370533 /nfs/dbraw/zinc/37/05/33/557370533.db2.gz MSOLVQYAKQWCNN-UHFFFAOYSA-N -1 3 401.532 2.882 40 0 HFABHM COCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 ZINC000019821119 558290630 /nfs/dbraw/zinc/29/06/30/558290630.db2.gz UEUOXEYYIRLFJY-MRXNPFEDSA-N -1 3 407.470 2.767 40 0 HFABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000019886490 558302043 /nfs/dbraw/zinc/30/20/43/558302043.db2.gz RCDOCEBPPXFJNR-UHFFFAOYSA-N -1 3 401.488 2.937 40 0 HFABHM O=C(c1ccccc1F)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019347565 558873831 /nfs/dbraw/zinc/87/38/31/558873831.db2.gz XQUZGRCNYBCFSS-IBGZPJMESA-N -1 3 424.476 2.571 40 0 HFABHM O=C(CCCN1CCCC1=O)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019406635 558885132 /nfs/dbraw/zinc/88/51/32/558885132.db2.gz QVECHVXDWHYVHT-QGZVFWFLSA-N -1 3 414.531 2.955 40 0 HFABHM C[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1cc(=O)[n-]c(N2CCC(C)CC2)n1 ZINC000019497025 558895967 /nfs/dbraw/zinc/89/59/67/558895967.db2.gz SLIBWIIPRUNMKY-QGZVFWFLSA-N -1 3 409.534 2.984 40 0 HFABHM COc1ccc([C@H](Cc2cc(=O)[n-]c(C3CCC3)n2)NC(=O)c2cnn(C)c2C)cc1 ZINC000019553422 558916572 /nfs/dbraw/zinc/91/65/72/558916572.db2.gz FAXCWBIFLULDBS-FQEVSTJZSA-N -1 3 421.501 2.802 40 0 HFABHM COc1ccc([C@@H](Cc2cc(=O)[n-]c(C3CCC3)n2)NC(=O)c2cnn(C)c2C)cc1 ZINC000019553419 558916641 /nfs/dbraw/zinc/91/66/41/558916641.db2.gz FAXCWBIFLULDBS-HXUWFJFHSA-N -1 3 421.501 2.802 40 0 HFABHM CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc(Br)c1 ZINC000071980335 558917190 /nfs/dbraw/zinc/91/71/90/558917190.db2.gz LFZOXEUPSOOWBK-HNNXBMFYSA-N -1 3 411.296 2.577 40 0 HFABHM COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3cccnc3)cc(=O)[n-]2)cc1OC ZINC000019560455 558921575 /nfs/dbraw/zinc/92/15/75/558921575.db2.gz DCGJSPQSJURATM-GOSISDBHSA-N -1 3 420.469 2.755 40 0 HFABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(Br)o2)C3)C[C@H](C)O1 ZINC000072335478 558936590 /nfs/dbraw/zinc/93/65/90/558936590.db2.gz MHLRUJVOWJTUEK-TXEJJXNPSA-N -1 3 423.311 2.710 40 0 HFABHM COc1ccc(/C=C/CN2CCc3c(=O)[n-]c(N4C[C@@H](C)O[C@H](C)C4)nc3C2)cc1 ZINC000072335688 558936953 /nfs/dbraw/zinc/93/69/53/558936953.db2.gz BYOLZAXNZSWWLA-ADDHZHGLSA-N -1 3 410.518 2.876 40 0 HFABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388663 558944346 /nfs/dbraw/zinc/94/43/46/558944346.db2.gz XWWYXCLKWNGGRK-YQQAZPJKSA-N -1 3 423.517 2.934 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1C ZINC000040388904 558947305 /nfs/dbraw/zinc/94/73/05/558947305.db2.gz AAWWQWHNRHXGHE-LRDDRELGSA-N -1 3 409.490 2.688 40 0 HFABHM COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc([N-]c3ncccn3)n2)cc1 ZINC000072376289 558965348 /nfs/dbraw/zinc/96/53/48/558965348.db2.gz WDSNIXXSLAVICQ-QGZVFWFLSA-N -1 3 412.475 2.545 40 0 HFABHM O=C(C1CC1)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000005764247 560627544 /nfs/dbraw/zinc/62/75/44/560627544.db2.gz OZNDCEDQFVEHLV-UHFFFAOYSA-N -1 3 412.881 2.745 40 0 HFABHM Cc1sc(C(=O)Nc2cc(Cl)ccc2[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000006679805 560633634 /nfs/dbraw/zinc/63/36/34/560633634.db2.gz RDTARFOPCNVUSN-UHFFFAOYSA-N -1 3 416.908 2.689 40 0 HFABHM O=C(C1CC1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)C1 ZINC000018204437 560871445 /nfs/dbraw/zinc/87/14/45/560871445.db2.gz LUDUXJGOPOKLDC-CQSZACIVSA-N -1 3 412.881 2.745 40 0 HFABHM CCOc1cc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)ccc1OCCO ZINC000057742422 568495565 /nfs/dbraw/zinc/49/55/65/568495565.db2.gz BRNLMLPWINFGTR-UHFFFAOYSA-N -1 3 422.485 2.572 40 0 HFABHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(F)cc1 ZINC000224635747 568589835 /nfs/dbraw/zinc/58/98/35/568589835.db2.gz ZODXPKXJVIIRKC-LLVKDONJSA-N -1 3 406.464 2.969 40 0 HFABHM COc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000224840013 568599535 /nfs/dbraw/zinc/59/95/35/568599535.db2.gz JXFCFPXRLRNPKX-CQSZACIVSA-N -1 3 424.548 2.887 40 0 HFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1Cl ZINC000225796941 568675410 /nfs/dbraw/zinc/67/54/10/568675410.db2.gz ODJNVHWHAMBWCR-UHFFFAOYSA-N -1 3 424.862 2.811 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c(C)c1 ZINC000040390409 525199012 /nfs/dbraw/zinc/19/90/12/525199012.db2.gz KLIKKXGWJIKHGT-LSDHHAIUSA-N -1 3 409.490 2.830 40 0 HFABHM O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004163793 557522618 /nfs/dbraw/zinc/52/26/18/557522618.db2.gz QVGNNPYQHRKFLA-RLFYNMQTSA-N -1 3 408.332 2.519 40 0 HFABHM CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2Cl)NC(=O)[N-][C@]1(O)C(F)(F)F ZINC000004183830 557526064 /nfs/dbraw/zinc/52/60/64/557526064.db2.gz QHWQRSRLVPZOAH-ZDSQKVDBSA-N -1 3 401.168 2.778 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1ccccc1Cl ZINC000408604869 557528130 /nfs/dbraw/zinc/52/81/30/557528130.db2.gz IWWXUSQMRACABX-NSHDSACASA-N -1 3 417.314 2.985 40 0 HFABHM CCOc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1O ZINC000011859111 558289579 /nfs/dbraw/zinc/28/95/79/558289579.db2.gz ZSDOFPOOXFKXDY-FRQCXROJSA-N -1 3 424.375 2.895 40 0 HFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc(OC)c(OC)c2)c1 ZINC000027938714 558684885 /nfs/dbraw/zinc/68/48/85/558684885.db2.gz SBUWAGDUAMCTHM-UHFFFAOYSA-N -1 3 413.879 2.665 40 0 HFABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000038828466 558816002 /nfs/dbraw/zinc/81/60/02/558816002.db2.gz BNRHNBQNTNTPIL-OFQRWUPVSA-N -1 3 409.490 2.910 40 0 HFABHM CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)nc2C1 ZINC000019018944 558837242 /nfs/dbraw/zinc/83/72/42/558837242.db2.gz CQMZLZZXALTDCO-IBGZPJMESA-N -1 3 412.465 2.522 40 0 HFABHM Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019210803 558848333 /nfs/dbraw/zinc/84/83/33/558848333.db2.gz AARNMGCETQATEY-WMZOPIPTSA-N -1 3 404.470 2.924 40 0 HFABHM COc1ccc([C@@H]2CN(C(=O)CN3CCC[C@@H](C)C3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285473 558859916 /nfs/dbraw/zinc/85/99/16/558859916.db2.gz COQDUNVHZGWNMK-TYCQWZJGSA-N -1 3 424.545 2.528 40 0 HFABHM O=C(C1CCC1)N1CCc2c(=O)[n-]c([C@H]3CCN(Cc4ccccc4F)C3)nc2C1 ZINC000019348844 558874639 /nfs/dbraw/zinc/87/46/39/558874639.db2.gz JSJGFEOIVPEKRP-KRWDZBQOSA-N -1 3 410.493 2.583 40 0 HFABHM O=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4ccccc4F)C3)[n-]c(=O)c2C1 ZINC000019349031 558874863 /nfs/dbraw/zinc/87/48/63/558874863.db2.gz ZDEJWVJQSICMKQ-KRWDZBQOSA-N -1 3 410.493 2.583 40 0 HFABHM O=C1C[C@@H](c2cc(=O)[n-]c(NCc3ccc(Cl)cc3)n2)CN1Cc1ccccn1 ZINC000019401476 558883577 /nfs/dbraw/zinc/88/35/77/558883577.db2.gz SIAPIPLXAUFVHP-OAHLLOKOSA-N -1 3 409.877 2.947 40 0 HFABHM O=C(CCn1cccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019406118 558885043 /nfs/dbraw/zinc/88/50/43/558885043.db2.gz IPLGQSSSQVAVMV-HXUWFJFHSA-N -1 3 424.549 2.823 40 0 HFABHM CC(C)c1nc(C[C@@H](NC(=O)c2cn3cccnc3n2)c2ccccc2)cc(=O)[n-]1 ZINC000019453586 558890989 /nfs/dbraw/zinc/89/09/89/558890989.db2.gz SCDQEFZTEIISED-QGZVFWFLSA-N -1 3 402.458 2.650 40 0 HFABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(F)c(F)c1 ZINC000071980679 558917562 /nfs/dbraw/zinc/91/75/62/558917562.db2.gz ZYCWJMSVSSLVHY-LJQANCHMSA-N -1 3 416.424 2.883 40 0 HFABHM COc1ccc(CNc2nc([C@@H]3CC(=O)N(c4ccccc4OC)C3)cc(=O)[n-]2)cc1 ZINC000019555906 558918747 /nfs/dbraw/zinc/91/87/47/558918747.db2.gz UIVPXQAXGWAYPC-MRXNPFEDSA-N -1 3 420.469 2.920 40 0 HFABHM Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019572116 558930494 /nfs/dbraw/zinc/93/04/94/558930494.db2.gz FFUJFMJPTXAYGT-UHFFFAOYSA-N -1 3 424.526 2.834 40 0 HFABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cnc4ccccc4c2)C3)C[C@H](C)O1 ZINC000072335475 558936365 /nfs/dbraw/zinc/93/63/65/558936365.db2.gz PNGMCJXHKOZMIH-IYBDPMFKSA-N -1 3 405.502 2.902 40 0 HFABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388931 558947747 /nfs/dbraw/zinc/94/77/47/558947747.db2.gz CIPBPHWACJXDSD-LRDDRELGSA-N -1 3 409.490 2.688 40 0 HFABHM O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1ccnc([N-]c2cnccn2)n1 ZINC000072377723 558966877 /nfs/dbraw/zinc/96/68/77/558966877.db2.gz UFDUATWXAYJHPV-MRXNPFEDSA-N -1 3 400.439 2.675 40 0 HFABHM CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(CC)nc3c2c(=O)[n-]c(=O)n3C)cc1 ZINC000019714506 558974584 /nfs/dbraw/zinc/97/45/84/558974584.db2.gz WJLYFAAHCJVXKS-SFHVURJKSA-N -1 3 422.485 2.560 40 0 HFABHM COc1ccc([C@H](NC(=O)c2cc(C(C)C)nc3c2c(=O)[n-]c(=O)n3C)C2CC2)cc1 ZINC000019714567 558974640 /nfs/dbraw/zinc/97/46/40/558974640.db2.gz VILIDZLWQMGKIB-LJQANCHMSA-N -1 3 422.485 2.635 40 0 HFABHM C[C@@H](c1cc(=O)[n-]c(N(C)CCc2ccccc2)n1)n1ncc2ccccc2c1=O ZINC000019717765 558980765 /nfs/dbraw/zinc/98/07/65/558980765.db2.gz ZYKWIUWIEHDGPB-INIZCTEOSA-N -1 3 401.470 2.768 40 0 HFABHM Cc1nc(COC[C@H]2CCN(C)C3(CN(C(=O)c4cccc([O-])c4)C3)C2)cs1 ZINC000575403119 560546885 /nfs/dbraw/zinc/54/68/85/560546885.db2.gz IWNDKTVUSYTOKE-INIZCTEOSA-N -1 3 401.532 2.910 40 0 HFABHM CC(C)CC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000005625011 560627787 /nfs/dbraw/zinc/62/77/87/560627787.db2.gz QSLRBOXXWDTZRX-HNNXBMFYSA-N -1 3 412.469 2.866 40 0 HFABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(OC)cc1 ZINC000223246313 568542400 /nfs/dbraw/zinc/54/24/00/568542400.db2.gz XLHVOVLHBYCHLR-CYBMUJFWSA-N -1 3 412.537 2.961 40 0 HFABHM Cc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 ZINC000224651710 568590553 /nfs/dbraw/zinc/59/05/53/568590553.db2.gz DUBOUPFEHQVVOM-UHFFFAOYSA-N -1 3 402.501 2.886 40 0 HFABHM COc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 ZINC000224742823 568594757 /nfs/dbraw/zinc/59/47/57/568594757.db2.gz OOSDPTUXHRVMDW-UHFFFAOYSA-N -1 3 418.500 2.586 40 0 HFABHM CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc([O-])c2C(=O)NCCc2ccccc2)[C@@H]1O ZINC000257314153 568808472 /nfs/dbraw/zinc/80/84/72/568808472.db2.gz UVNYJWLMZXQYEB-UQJUYAFZSA-N -1 3 423.509 2.956 40 0 HFABHM Cc1ccccc1-c1cc(C(=O)N2CCC[C@@]3(Cc4c([nH]c(=O)[n-]c4=O)O3)CC2)[nH]n1 ZINC000257335261 568814840 /nfs/dbraw/zinc/81/48/40/568814840.db2.gz YJJKBBCHEXAKIL-QFIPXVFZSA-N -1 3 421.457 2.586 40 0 HFABHM O=C1[N-]C(=O)c2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21 ZINC000226860239 568824789 /nfs/dbraw/zinc/82/47/89/568824789.db2.gz FZGQKXMNIDQWRJ-UHFFFAOYSA-N -1 3 406.463 2.961 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1C ZINC000040390337 525198459 /nfs/dbraw/zinc/19/84/59/525198459.db2.gz CUSWWPCOKVHGEX-GOEBONIOSA-N -1 3 409.490 2.830 40 0 HFABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C ZINC000408594381 557512103 /nfs/dbraw/zinc/51/21/03/557512103.db2.gz QEBMILPQLKISAR-MRXNPFEDSA-N -1 3 406.504 2.634 40 0 HFABHM CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000408601722 557522068 /nfs/dbraw/zinc/52/20/68/557522068.db2.gz GRTQEBZFWGIOFI-AWEZNQCLSA-N -1 3 420.487 2.551 40 0 HFABHM COc1ccc(OC[C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000020106379 558333468 /nfs/dbraw/zinc/33/34/68/558333468.db2.gz OCEZUOBRUAANEX-LBPRGKRZSA-N -1 3 412.895 2.917 40 0 HFABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1 ZINC000022610316 558501611 /nfs/dbraw/zinc/50/16/11/558501611.db2.gz KNEJAOOHWASRDL-INIZCTEOSA-N -1 3 409.490 2.688 40 0 HFABHM O=C([N-]C(=S)Nc1ccc(I)cn1)C(Cl)(Cl)Cl ZINC000016430025 558791125 /nfs/dbraw/zinc/79/11/25/558791125.db2.gz RHTQAJSGNJKVKP-UHFFFAOYSA-N -1 3 424.478 2.869 40 0 HFABHM Cc1cc(C(F)F)nn1CC(=O)N1CC[C@H](c2nc(-c3cccnc3)cc(=O)[n-]2)C1 ZINC000019119142 558842739 /nfs/dbraw/zinc/84/27/39/558842739.db2.gz PNXWJXUCAUZZIM-AWEZNQCLSA-N -1 3 414.416 2.703 40 0 HFABHM Cc1ccc(S(=O)(=O)N2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1C ZINC000019214295 558849651 /nfs/dbraw/zinc/84/96/51/558849651.db2.gz HUHQIXUABYUJPG-QGZVFWFLSA-N -1 3 410.499 2.627 40 0 HFABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(NCCc4ccccn4)n3)CC2=O)c1C ZINC000019235581 558854610 /nfs/dbraw/zinc/85/46/10/558854610.db2.gz HRPSRDAWMNEKQN-QGZVFWFLSA-N -1 3 403.486 2.957 40 0 HFABHM O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019293561 558865315 /nfs/dbraw/zinc/86/53/15/558865315.db2.gz BWCPAMZMIQUJHC-LJQANCHMSA-N -1 3 424.476 2.571 40 0 HFABHM O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(Cc4cccc(F)c4)C3)[n-]c(=O)c2C1 ZINC000019293839 558865470 /nfs/dbraw/zinc/86/54/70/558865470.db2.gz ZYZSNGVZCPTFKO-QGZVFWFLSA-N -1 3 410.493 2.583 40 0 HFABHM O=C(c1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339377 558871258 /nfs/dbraw/zinc/87/12/58/558871258.db2.gz SZEHELIMRYZZIR-GOSISDBHSA-N -1 3 421.526 2.762 40 0 HFABHM O=C(c1ccncc1)N1CCc2c(=O)[n-]c([C@@H]3CCCN3Cc3cccs3)nc2C1 ZINC000019343455 558872461 /nfs/dbraw/zinc/87/24/61/558872461.db2.gz AEXGTLCZNXJFDE-IBGZPJMESA-N -1 3 421.526 2.762 40 0 HFABHM O=C(c1ccccc1F)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019347567 558873725 /nfs/dbraw/zinc/87/37/25/558873725.db2.gz XQUZGRCNYBCFSS-LJQANCHMSA-N -1 3 424.476 2.571 40 0 HFABHM O=C(C1CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1F)C2 ZINC000019349386 558874848 /nfs/dbraw/zinc/87/48/48/558874848.db2.gz RURKWCSBQRKZPF-HXUWFJFHSA-N -1 3 410.493 2.931 40 0 HFABHM O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(Cc4ccccc4F)C3)[n-]c(=O)c2C1 ZINC000019349029 558874933 /nfs/dbraw/zinc/87/49/33/558874933.db2.gz ZDEJWVJQSICMKQ-QGZVFWFLSA-N -1 3 410.493 2.583 40 0 HFABHM COc1ccc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cc1OC(C)C ZINC000019450501 558888918 /nfs/dbraw/zinc/88/89/18/558888918.db2.gz ULONZEKRBDGSOE-UHFFFAOYSA-N -1 3 421.501 2.624 40 0 HFABHM CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccccc4F)C3)[n-]c(=O)c2C1 ZINC000019501594 558899661 /nfs/dbraw/zinc/89/96/61/558899661.db2.gz XRPJXXJBJXMXDW-QGZVFWFLSA-N -1 3 412.509 2.973 40 0 HFABHM CCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4cccc(F)c4)C3)[n-]c(=O)c2C1 ZINC000019501589 558899667 /nfs/dbraw/zinc/89/96/67/558899667.db2.gz SUACVJNWEBKHOL-KRWDZBQOSA-N -1 3 412.509 2.973 40 0 HFABHM CCc1nn(C)c(C(=O)N[C@H](Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc2)c1C ZINC000019521040 558902492 /nfs/dbraw/zinc/90/24/92/558902492.db2.gz CDNYKIRYZCMLKK-LJQANCHMSA-N -1 3 405.502 2.965 40 0 HFABHM CCOc1ccc(CC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)cc1 ZINC000019532867 558912772 /nfs/dbraw/zinc/91/27/72/558912772.db2.gz XUENDVLDDIIANS-KRWDZBQOSA-N -1 3 410.518 2.518 40 0 HFABHM CCOc1ccc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)cc1OC ZINC000019533912 558913581 /nfs/dbraw/zinc/91/35/81/558913581.db2.gz MBSUQQORQDDHDP-UHFFFAOYSA-N -1 3 406.486 2.840 40 0 HFABHM COc1cccc(C(=O)N2CCC[C@@H]2c2nc(-c3cccnc3OC)cc(=O)[n-]2)c1 ZINC000019564477 558924449 /nfs/dbraw/zinc/92/44/49/558924449.db2.gz KKSDPNKZWCPMMK-GOSISDBHSA-N -1 3 406.442 2.826 40 0 HFABHM Cc1cc(CN2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cs1 ZINC000019572051 558930416 /nfs/dbraw/zinc/93/04/16/558930416.db2.gz VDZUWCSROUUVSC-KRWDZBQOSA-N -1 3 412.559 2.814 40 0 HFABHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1C[C@@H]2c3nc(C)[n-]c(=O)c3CC[C@@H]2C1 ZINC000072336076 558937191 /nfs/dbraw/zinc/93/71/91/558937191.db2.gz WSYJHGGRXLEMIA-QUCCMNQESA-N -1 3 417.513 2.742 40 0 HFABHM COc1ccccc1N1C[C@H](c2cc(=O)[n-]c(N(C)CCc3ccccc3)n2)CC1=O ZINC000019586236 558939442 /nfs/dbraw/zinc/93/94/42/558939442.db2.gz VYHFHOJHVJXAIE-GOSISDBHSA-N -1 3 418.497 2.978 40 0 HFABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388929 558947729 /nfs/dbraw/zinc/94/77/29/558947729.db2.gz CIPBPHWACJXDSD-BLLLJJGKSA-N -1 3 409.490 2.688 40 0 HFABHM O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cncc([N-]c2ncccn2)n1 ZINC000072376284 558965412 /nfs/dbraw/zinc/96/54/12/558965412.db2.gz APRVBCPKKAXGAV-MRXNPFEDSA-N -1 3 400.439 2.675 40 0 HFABHM CC(C)c1cc(C(=O)NCC(C)(C)c2cccc(F)c2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000019714540 558974577 /nfs/dbraw/zinc/97/45/77/558974577.db2.gz RCSXPEFYOJRNPI-UHFFFAOYSA-N -1 3 412.465 2.592 40 0 HFABHM COc1cccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)nc3c2c(=O)[n-]c(=O)n3C)c1 ZINC000019714548 558974651 /nfs/dbraw/zinc/97/46/51/558974651.db2.gz XUTZMKGXTDAGTB-SFHVURJKSA-N -1 3 422.485 2.731 40 0 HFABHM COc1nn(Cc2cc(=O)[n-]c(N[C@@H](C)c3ccccc3)n2)c(=O)c2ccccc21 ZINC000019717558 558980357 /nfs/dbraw/zinc/98/03/57/558980357.db2.gz LQADBSHQIBBINK-AWEZNQCLSA-N -1 3 403.442 2.710 40 0 HFABHM COc1cc(CN2CCc3nc4cc(C)[n-]n4c(=O)c3CC2)ccc1OC(F)F ZINC000100769180 559140090 /nfs/dbraw/zinc/14/00/90/559140090.db2.gz FDBZPNPUNRPADZ-UHFFFAOYSA-N -1 3 404.417 2.954 40 0 HFABHM CN1CCN(c2ccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)cc2)CC1 ZINC000113948077 559182667 /nfs/dbraw/zinc/18/26/67/559182667.db2.gz MVDIMWVQSRSRDY-UHFFFAOYSA-N -1 3 422.938 2.716 40 0 HFABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C(=O)N1CCOCC1 ZINC000113939739 560806492 /nfs/dbraw/zinc/80/64/92/560806492.db2.gz NAZDQRNQUQHMFJ-UHFFFAOYSA-N -1 3 404.488 2.585 40 0 HFABHM C/C=C/C(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000018206185 560871498 /nfs/dbraw/zinc/87/14/98/560871498.db2.gz XKDUCBNPKAZPKH-GORDUTHDSA-N -1 3 412.881 2.911 40 0 HFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)cc1Cl ZINC000223246905 568542359 /nfs/dbraw/zinc/54/23/59/568542359.db2.gz GKCRJRBWLIBBSP-UHFFFAOYSA-N -1 3 412.895 2.925 40 0 HFABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c(OC)c1 ZINC000223760476 568558324 /nfs/dbraw/zinc/55/83/24/568558324.db2.gz QGCWVHKKCLZEFR-UHFFFAOYSA-N -1 3 409.851 2.886 40 0 HFABHM COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)ccc1O ZINC000027015672 569326980 /nfs/dbraw/zinc/32/69/80/569326980.db2.gz HAOXMWGSLQOXDJ-FCEWJHQRSA-N -1 3 424.375 2.813 40 0 HFABHM CCc1nnc([N-]c2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/CN(C)C)n2)s1 ZINC000585292740 571310020 /nfs/dbraw/zinc/31/00/20/571310020.db2.gz SCUAJHSSGDGDKL-HQPKTYMTSA-N -1 3 415.567 3.114 40 0 HFABHM Cc1ccc2occ(CN3CCc4nc(N5CCC(C)CC5)[n-]c(=O)c4C3)c(=O)c2c1 ZINC000012183072 132356051 /nfs/dbraw/zinc/35/60/51/132356051.db2.gz AORCIIUUTJZHOW-UHFFFAOYSA-N -1 3 420.513 2.979 40 0 HFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000040390545 523179713 /nfs/dbraw/zinc/17/97/13/523179713.db2.gz MARWDCIELBFVHS-CABCVRRESA-N -1 3 409.490 2.912 40 0 HFABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388659 524432221 /nfs/dbraw/zinc/43/22/21/524432221.db2.gz XWWYXCLKWNGGRK-HLLBOEOZSA-N -1 3 423.517 2.934 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000020009353 558319003 /nfs/dbraw/zinc/31/90/03/558319003.db2.gz SIPWAOOAAMMUSZ-INIZCTEOSA-N -1 3 408.907 2.517 40 0 HFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000020016420 558320144 /nfs/dbraw/zinc/32/01/44/558320144.db2.gz MUMLZRGFGBOVPM-VIFPVBQESA-N -1 3 404.822 2.932 40 0 HFABHM COc1ccccc1N1CCN(c2nc(CSc3ccccn3)cc(=O)[n-]2)CC1 ZINC000013611403 558548531 /nfs/dbraw/zinc/54/85/31/558548531.db2.gz FLRYTXPZYFFFKW-UHFFFAOYSA-N -1 3 409.515 2.792 40 0 HFABHM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000016687979 558799907 /nfs/dbraw/zinc/79/99/07/558799907.db2.gz VSDWLCUBLFLNIC-UHFFFAOYSA-N -1 3 406.504 2.717 40 0 HFABHM O=C(CC1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019014581 558836779 /nfs/dbraw/zinc/83/67/79/558836779.db2.gz YYVMPKYLMVBAGI-IBGZPJMESA-N -1 3 412.534 2.699 40 0 HFABHM O=C(CCC1CCCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)C1 ZINC000019014608 558836859 /nfs/dbraw/zinc/83/68/59/558836859.db2.gz ZFTPPCADTYKSFC-KRWDZBQOSA-N -1 3 412.534 2.763 40 0 HFABHM O=C(c1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019293552 558865371 /nfs/dbraw/zinc/86/53/71/558865371.db2.gz MLMBITBOCMAJMZ-IBGZPJMESA-N -1 3 424.476 2.571 40 0 HFABHM O=C(c1ccc(F)cc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019332044 558868753 /nfs/dbraw/zinc/86/87/53/558868753.db2.gz PRLKQVCWXVQKNP-LJQANCHMSA-N -1 3 424.476 2.571 40 0 HFABHM O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339308 558871174 /nfs/dbraw/zinc/87/11/74/558871174.db2.gz JMYUSWIHHRBBHR-FQEVSTJZSA-N -1 3 407.518 2.577 40 0 HFABHM O=c1[n-]c(N2CCCC2)nc2c1CN(Cc1cccn1Cc1ccccc1F)CC2 ZINC000019349785 558875373 /nfs/dbraw/zinc/87/53/73/558875373.db2.gz RLQZFBUFOFZLOI-UHFFFAOYSA-N -1 3 407.493 2.917 40 0 HFABHM CC(C)[C@@H](NC(=O)c1ccc(F)c(Cl)c1)c1cc(=O)[n-]c(N2CCOCC2)n1 ZINC000019445535 558885693 /nfs/dbraw/zinc/88/56/93/558885693.db2.gz ZYHKWVXPFQMTNZ-QGZVFWFLSA-N -1 3 408.861 2.526 40 0 HFABHM CC(C)c1nc(C[C@H](NC(=O)c2cn3cccnc3n2)c2ccccc2)cc(=O)[n-]1 ZINC000019453588 558891032 /nfs/dbraw/zinc/89/10/32/558891032.db2.gz SCDQEFZTEIISED-KRWDZBQOSA-N -1 3 402.458 2.650 40 0 HFABHM C[C@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019463349 558894399 /nfs/dbraw/zinc/89/43/99/558894399.db2.gz ULFOUKLGNKCACO-YYFZDKIDSA-N -1 3 410.493 2.787 40 0 HFABHM CCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2ccc(C)cc2)CC3)C1 ZINC000019501314 558899283 /nfs/dbraw/zinc/89/92/83/558899283.db2.gz BQPITDMVWZOUCT-GOSISDBHSA-N -1 3 422.529 2.783 40 0 HFABHM CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4cccs4)C3)[n-]c(=O)c2C1 ZINC000019501598 558899688 /nfs/dbraw/zinc/89/96/88/558899688.db2.gz ONHVPKJFMWAWOF-OAHLLOKOSA-N -1 3 400.548 2.896 40 0 HFABHM CCOc1ccc(C)cc1-c1csc(NC(=O)CC[C@@]2(C)NC(=O)[N-]C2=O)n1 ZINC000019519870 558900865 /nfs/dbraw/zinc/90/08/65/558900865.db2.gz TZTMEHFKVQSFCF-LJQANCHMSA-N -1 3 402.476 2.834 40 0 HFABHM CCS(=O)(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1sccc1C)CC2 ZINC000019520324 558901236 /nfs/dbraw/zinc/90/12/36/558901236.db2.gz XIZJWASBQWPCHO-INIZCTEOSA-N -1 3 422.576 2.597 40 0 HFABHM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc4ccccc4n2)C3)C[C@H](C)O1 ZINC000072335582 558936733 /nfs/dbraw/zinc/93/67/33/558936733.db2.gz DIPZTJWETZQAMJ-HOTGVXAUSA-N -1 3 405.502 2.902 40 0 HFABHM COc1ccc(-c2cc(C(=O)N3C[C@@H]4c5nc(C)[n-]c(=O)c5CC[C@@H]4C3)on2)cc1 ZINC000072336091 558937245 /nfs/dbraw/zinc/93/72/45/558937245.db2.gz QDQAPNUJHJGJDC-PBHICJAKSA-N -1 3 406.442 2.544 40 0 HFABHM COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cncc([N-]c3ncccn3)n2)cc1 ZINC000072376290 558965275 /nfs/dbraw/zinc/96/52/75/558965275.db2.gz WDSNIXXSLAVICQ-KRWDZBQOSA-N -1 3 412.475 2.545 40 0 HFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)C)c(C)c2)cc1 ZINC000007361865 559251163 /nfs/dbraw/zinc/25/11/63/559251163.db2.gz MGPNRLZVTWVMQA-UHFFFAOYSA-N -1 3 406.504 2.955 40 0 HFABHM CCOC(=O)C(=O)[N-]c1sc(C(=O)Nc2ccc(C)cc2)c(C)c1C(=O)OC ZINC000005007071 560620637 /nfs/dbraw/zinc/62/06/37/560620637.db2.gz PLDZSMLPPIDAOD-UHFFFAOYSA-N -1 3 404.444 2.905 40 0 HFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 ZINC000409379787 560718628 /nfs/dbraw/zinc/71/86/28/560718628.db2.gz ZVRBBADXKPYKRM-UHFFFAOYSA-N -1 3 416.455 2.784 40 0 HFABHM CC(C)=C1N=C2[N-]C(=O)C[C@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)N2N1 ZINC000010152974 560764819 /nfs/dbraw/zinc/76/48/19/560764819.db2.gz BTQHNBQRVPTPCB-LLVKDONJSA-N -1 3 401.776 2.613 40 0 HFABHM Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)[n-]c3=O)cc1 ZINC000018157694 560871324 /nfs/dbraw/zinc/87/13/24/560871324.db2.gz JLHNIDJLCXUNGT-MRXNPFEDSA-N -1 3 408.506 2.623 40 0 HFABHM Cc1ccc(C)c(Cn2nnc3c2nc([C@H]2CCCN(C(=O)C4CC4)C2)[n-]c3=O)c1 ZINC000018203963 560871455 /nfs/dbraw/zinc/87/14/55/560871455.db2.gz GFVRAKZSULSZGT-INIZCTEOSA-N -1 3 406.490 2.708 40 0 HFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1N1CCCC1=O ZINC000216364952 568464810 /nfs/dbraw/zinc/46/48/10/568464810.db2.gz SUCGWDYDMXLHSX-UHFFFAOYSA-N -1 3 403.460 2.581 40 0 HFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(-c3ccccc3C)no2)c1 ZINC000223617093 568553470 /nfs/dbraw/zinc/55/34/70/568553470.db2.gz GEPSPBDIGYBCJV-UHFFFAOYSA-N -1 3 421.862 2.964 40 0 HFABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)ccc1OC ZINC000224918650 568604102 /nfs/dbraw/zinc/60/41/02/568604102.db2.gz NVRTWDMMQZLRFL-UHFFFAOYSA-N -1 3 403.504 2.846 40 0 HFABHM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(OC3CSC3)cc2)cc1 ZINC000225089258 568613432 /nfs/dbraw/zinc/61/34/32/568613432.db2.gz NFMAXJHNGBIYPP-UHFFFAOYSA-N -1 3 418.496 2.635 40 0 HFABHM COc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2ccccc2F)cc1OC ZINC000225922534 568686172 /nfs/dbraw/zinc/68/61/72/568686172.db2.gz UJRMVXNTMVGFPT-UHFFFAOYSA-N -1 3 410.467 2.680 40 0 HFABHM Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@@H](N)CCC(=O)[O-])CC[C@@H]3O[C@H]21 ZINC000257230136 568784951 /nfs/dbraw/zinc/78/49/51/568784951.db2.gz GAZIPKLLPDCOSY-DVZFXEOLSA-N -1 3 416.518 2.653 40 0 HFABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)c1 ZINC000006024053 569329340 /nfs/dbraw/zinc/32/93/40/569329340.db2.gz SQTWDOHBPFORQL-UHFFFAOYSA-N -1 3 411.483 2.886 40 0 HFABHM COCc1cc(C)nc([N-]N=C2c3cc(Br)ccc3NC2=O)c1C#N ZINC000006961368 569336141 /nfs/dbraw/zinc/33/61/41/569336141.db2.gz CCMZGLBTMJYMDO-UHFFFAOYSA-N -1 3 400.236 2.939 40 0 HFABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399181 521546233 /nfs/dbraw/zinc/54/62/33/521546233.db2.gz IDABMMSXIDRHER-CQSZACIVSA-N -1 3 419.441 2.977 40 0 HFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000045797815 522061272 /nfs/dbraw/zinc/06/12/72/522061272.db2.gz RXKHQCXUAIIZAP-LLVKDONJSA-N -1 3 411.863 2.937 40 0 HFABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388677 524154085 /nfs/dbraw/zinc/15/40/85/524154085.db2.gz XQWQKVRPWPSOJF-IJEWVQPXSA-N -1 3 423.517 2.934 40 0 HFABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2C)CC(=O)N3)cc1 ZINC000040399808 524719239 /nfs/dbraw/zinc/71/92/39/524719239.db2.gz DXQQKWQXSWADHJ-HNNXBMFYSA-N -1 3 419.441 2.895 40 0 HFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1C ZINC000040390339 525220167 /nfs/dbraw/zinc/22/01/67/525220167.db2.gz CUSWWPCOKVHGEX-HOCLYGCPSA-N -1 3 409.490 2.830 40 0 HFABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000408597509 557516929 /nfs/dbraw/zinc/51/69/29/557516929.db2.gz XDDCTKWDZCOZEP-INIZCTEOSA-N -1 3 406.504 2.634 40 0 HFABHM COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408612890 557531273 /nfs/dbraw/zinc/53/12/73/557531273.db2.gz ZMHAFVQUWFGNJB-UHFFFAOYSA-N -1 3 412.895 2.591 40 0 HFABHM Cc1ccc(C2=S=C([N-]C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)N=N2)cc1 ZINC000408717961 557760420 /nfs/dbraw/zinc/76/04/20/557760420.db2.gz QSXNJFYTGQXYFZ-UHFFFAOYSA-N -1 3 402.501 2.585 40 0 HFABHM CCCNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009308 558318719 /nfs/dbraw/zinc/31/87/19/558318719.db2.gz MKEUDGFHGIUHLW-MRXNPFEDSA-N -1 3 410.923 2.764 40 0 HFABHM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1 ZINC000012200214 558351112 /nfs/dbraw/zinc/35/11/12/558351112.db2.gz LPEQTSQIYDYLBD-UHFFFAOYSA-N -1 3 409.261 2.903 40 0 HFABHM Cc1occc1-c1nnc(SCc2cc(=O)n3nc(N)[n-]c3n2)n1-c1ccccc1 ZINC000012372533 558390085 /nfs/dbraw/zinc/39/00/85/558390085.db2.gz UHBDZAWUXFHOOA-UHFFFAOYSA-N -1 3 420.458 2.854 40 0 HFABHM CC(=O)NC(=S)Nc1ccc(NC([S-])=NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000016320854 558785982 /nfs/dbraw/zinc/78/59/82/558785982.db2.gz DPSBBILSFVIPEV-UHFFFAOYSA-N -1 3 413.739 2.703 40 0 HFABHM CC(=O)NC(=S)Nc1ccc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)cc1 ZINC000016320854 558785983 /nfs/dbraw/zinc/78/59/83/558785983.db2.gz DPSBBILSFVIPEV-UHFFFAOYSA-N -1 3 413.739 2.703 40 0 HFABHM Cc1ccc(S(=O)(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1C ZINC000019214297 558849617 /nfs/dbraw/zinc/84/96/17/558849617.db2.gz HUHQIXUABYUJPG-KRWDZBQOSA-N -1 3 410.499 2.627 40 0 HFABHM COc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)ccc1O ZINC000036056507 558853639 /nfs/dbraw/zinc/85/36/39/558853639.db2.gz HAOXMWGSLQOXDJ-GPMSIDNRSA-N -1 3 424.375 2.813 40 0 HFABHM O=c1[n-]c(-c2cnccn2)nc2c1CCN(Cc1ccccc1C(F)(F)F)CC2 ZINC000019349426 558875143 /nfs/dbraw/zinc/87/51/43/558875143.db2.gz RVHXDRVPEMOPNN-UHFFFAOYSA-N -1 3 401.392 2.847 40 0 HFABHM C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CN(Cc2coc4ccccc4c2=O)CC3)C1 ZINC000019496580 558895449 /nfs/dbraw/zinc/89/54/49/558895449.db2.gz FSIQRLPNTPKXSH-HNNXBMFYSA-N -1 3 406.486 2.671 40 0 HFABHM CCOCc1cc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)ccc1OC ZINC000019531187 558911936 /nfs/dbraw/zinc/91/19/36/558911936.db2.gz SHFKDVLIXUJMPL-UHFFFAOYSA-N -1 3 420.513 2.978 40 0 HFABHM COc1cccc(C(=O)N2[C@@H](C(=O)[O-])COC23CCN(Cc2ccccc2)CC3)c1 ZINC000071980639 558917355 /nfs/dbraw/zinc/91/73/55/558917355.db2.gz XZSSFGJVSDIJNU-HXUWFJFHSA-N -1 3 410.470 2.613 40 0 HFABHM COc1ccc(CCC(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019554484 558917458 /nfs/dbraw/zinc/91/74/58/558917458.db2.gz CUAKJKMVQNKYFV-GOSISDBHSA-N -1 3 404.470 2.789 40 0 HFABHM Cc1nnsc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2cccnc2)n1)c1ccccc1 ZINC000019563597 558923688 /nfs/dbraw/zinc/92/36/88/558923688.db2.gz CLRGONBFKOCKIW-KRWDZBQOSA-N -1 3 418.482 2.706 40 0 HFABHM CN(CCc1ccccn1)c1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[n-]1 ZINC000019586264 558939377 /nfs/dbraw/zinc/93/93/77/558939377.db2.gz SDCIVLIXJXHLAG-OAHLLOKOSA-N -1 3 407.449 2.503 40 0 HFABHM COCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019593141 558943998 /nfs/dbraw/zinc/94/39/98/558943998.db2.gz ORWUEPIGYHHRAL-HNNXBMFYSA-N -1 3 416.547 2.545 40 0 HFABHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 ZINC000019690481 558960049 /nfs/dbraw/zinc/96/00/49/558960049.db2.gz RMNXKWOTVIWIEQ-HXUWFJFHSA-N -1 3 424.476 2.506 40 0 HFABHM COC(=O)c1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000409172712 560686706 /nfs/dbraw/zinc/68/67/06/560686706.db2.gz GVHNQHAGOBRFMD-UHFFFAOYSA-N -1 3 417.270 2.697 40 0 HFABHM COc1ccccc1NC(=O)C(=O)N1NC(CCC(C)C)=C[C@@]1([O-])C(F)(F)F ZINC000409364062 560715230 /nfs/dbraw/zinc/71/52/30/560715230.db2.gz VOFKUBVIQXSGJY-QGZVFWFLSA-N -1 3 401.385 2.909 40 0 HFABHM COc1ccccc1NC(=O)C(=O)N1NC(CCC(C)C)=C[C@]1([O-])C(F)(F)F ZINC000409364057 560715242 /nfs/dbraw/zinc/71/52/42/560715242.db2.gz VOFKUBVIQXSGJY-KRWDZBQOSA-N -1 3 401.385 2.909 40 0 HFABHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 ZINC000113939742 560806486 /nfs/dbraw/zinc/80/64/86/560806486.db2.gz AHNOWVGKARXOIE-UHFFFAOYSA-N -1 3 404.488 2.531 40 0 HFABHM COc1ccc(C([O-])=C2[C@@H](c3ccccc3OC)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000006924866 568464033 /nfs/dbraw/zinc/46/40/33/568464033.db2.gz LGAGAQGJDZRIPH-GPMSIDNRSA-N -1 3 424.375 2.808 40 0 HFABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223051331 568535718 /nfs/dbraw/zinc/53/57/18/568535718.db2.gz XWWYXCLKWNGGRK-BFYDXBDKSA-N -1 3 423.517 2.934 40 0 HFABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3C[C@H](C)C[C@@H](C)C3)[n-]c(=O)c21 ZINC000223050805 568535730 /nfs/dbraw/zinc/53/57/30/568535730.db2.gz XQXLQOPTOBLMDA-IIAWOOMASA-N -1 3 423.517 2.879 40 0 HFABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223054958 568535789 /nfs/dbraw/zinc/53/57/89/568535789.db2.gz SDFAVGABCCOYIY-HIFRSBDPSA-N -1 3 409.490 2.688 40 0 HFABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000223585727 568552403 /nfs/dbraw/zinc/55/24/03/568552403.db2.gz XNKXYNGIAYLIJM-UHFFFAOYSA-N -1 3 416.459 2.572 40 0 HFABHM Cc1ccccc1-c1cc(C(=O)N2CCC[C@]3(Cc4c([nH]c(=O)[n-]c4=O)O3)CC2)[nH]n1 ZINC000257335260 568814911 /nfs/dbraw/zinc/81/49/11/568814911.db2.gz YJJKBBCHEXAKIL-JOCHJYFZSA-N -1 3 421.457 2.586 40 0 HFABHM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C1(NCC(=O)[O-])COC1 ZINC000306145616 568906525 /nfs/dbraw/zinc/90/65/25/568906525.db2.gz KQIZCUKEJIFTRJ-KRWDZBQOSA-N -1 3 422.522 2.743 40 0 HFABHM CC(C)C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)C1 ZINC000005625003 569051864 /nfs/dbraw/zinc/05/18/64/569051864.db2.gz JXQSOYPNGIPGSV-AWEZNQCLSA-N -1 3 414.897 2.991 40 0 HFABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1C(=O)N1CCOCC1 ZINC000007360802 569337260 /nfs/dbraw/zinc/33/72/60/569337260.db2.gz XUZMZSITVCZPQG-UHFFFAOYSA-N -1 3 418.515 2.894 40 0 HFABHM O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2[O-])C1=O)N1CCCC1 ZINC000205869369 569355727 /nfs/dbraw/zinc/35/57/27/569355727.db2.gz XKJONJVILNCKEA-MDWZMJQESA-N -1 3 411.277 2.813 40 0 HFABHM C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(c3c(cc1[O-])C(=O)NC3)O2 ZINC000003809583 291226473 /nfs/dbraw/zinc/22/64/73/291226473.db2.gz RUBLIKRGQGISNL-DXORJMCXSA-N -1 3 401.503 2.513 40 0 biogenic,in-vitro HFABHM O=S(=O)([N-]C[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCc2ccccc21)c1cccs1 ZINC000008635721 291230143 /nfs/dbraw/zinc/23/01/43/291230143.db2.gz OKBJCVAHQCERCU-IPMKNSEASA-N -1 3 417.600 2.800 40 0 biogenic,in-vitro HFABHM Cc1ccc2occ(CN3CCc4nc(N5CCC[C@H](C)C5)[n-]c(=O)c4C3)c(=O)c2c1 ZINC000012185133 132356159 /nfs/dbraw/zinc/35/61/59/132356159.db2.gz SVVULVXXTMIBOW-INIZCTEOSA-N -1 3 420.513 2.979 40 0 HFABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000040399997 524649444 /nfs/dbraw/zinc/64/94/44/524649444.db2.gz AGCNOEHYRVXEAN-CYBMUJFWSA-N -1 3 419.441 2.895 40 0 HFABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1)CC(=O)N2 ZINC000040399988 524649483 /nfs/dbraw/zinc/64/94/83/524649483.db2.gz PPWJOAZSXDZSKV-CYBMUJFWSA-N -1 3 405.414 2.587 40 0 HFABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCc1ccncc1 ZINC000408532345 557312970 /nfs/dbraw/zinc/31/29/70/557312970.db2.gz OCHPYBJUCWBYIV-UHFFFAOYSA-N -1 3 415.446 2.717 40 0 HFABHM CCc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 ZINC000408594369 557512053 /nfs/dbraw/zinc/51/20/53/557512053.db2.gz OTKIAZKPBHXLQJ-INIZCTEOSA-N -1 3 418.515 2.676 40 0 HFABHM COc1ccc(OC)c([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)c1 ZINC000009090478 557823124 /nfs/dbraw/zinc/82/31/24/557823124.db2.gz ZVFKOTDNFKCGQE-MDZRGWNJSA-N -1 3 424.375 2.808 40 0 HFABHM O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000012139894 558334578 /nfs/dbraw/zinc/33/45/78/558334578.db2.gz QVGNNPYQHRKFLA-VKJFTORMSA-N -1 3 408.332 2.519 40 0 HFABHM O=C(c1ccc2c(c1)OCO2)N1CCC(c2nc(-c3ccncc3)cc(=O)[n-]2)CC1 ZINC000012291675 558365697 /nfs/dbraw/zinc/36/56/97/558365697.db2.gz UCDTWPMVVXRDNP-UHFFFAOYSA-N -1 3 404.426 2.580 40 0 HFABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCN2CCc3ccccc32)c(Cl)c1 ZINC000030868671 558742917 /nfs/dbraw/zinc/74/29/17/558742917.db2.gz KHQOSFMJMLYPOQ-UHFFFAOYSA-N -1 3 407.923 2.894 40 0 HFABHM CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)nc2C1 ZINC000019018946 558837297 /nfs/dbraw/zinc/83/72/97/558837297.db2.gz CQMZLZZXALTDCO-LJQANCHMSA-N -1 3 412.465 2.522 40 0 HFABHM Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(NCCc4ccncc4)n3)CC2=O)c1C ZINC000019235582 558854729 /nfs/dbraw/zinc/85/47/29/558854729.db2.gz IRBJFJNVNNMQQT-SFHVURJKSA-N -1 3 403.486 2.957 40 0 HFABHM Cc1ccnn1CCC(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019238407 558857295 /nfs/dbraw/zinc/85/72/95/558857295.db2.gz HYRRYPYLRIWGGB-UHFFFAOYSA-N -1 3 411.531 2.875 40 0 HFABHM COCCOc1ccc(CN2CCc3nc(C(C)C)[n-]c(=O)c3CC2)cc1OC ZINC000019453755 558890933 /nfs/dbraw/zinc/89/09/33/558890933.db2.gz BXQZAKLDGSBFRQ-UHFFFAOYSA-N -1 3 401.507 2.528 40 0 HFABHM C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019463345 558894285 /nfs/dbraw/zinc/89/42/85/558894285.db2.gz ULFOUKLGNKCACO-DKICVRJWSA-N -1 3 410.493 2.787 40 0 HFABHM CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(OC)cc2)C3)C1 ZINC000019501112 558899023 /nfs/dbraw/zinc/89/90/23/558899023.db2.gz JVMNHALOSCFKFM-QGZVFWFLSA-N -1 3 410.518 2.865 40 0 HFABHM CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccccc2OC)CC3)C1 ZINC000019501124 558899086 /nfs/dbraw/zinc/89/90/86/558899086.db2.gz LFCLFRRBCNJCSV-QGZVFWFLSA-N -1 3 410.518 2.865 40 0 HFABHM CCc1nn(C)c(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c1C ZINC000019521006 558902237 /nfs/dbraw/zinc/90/22/37/558902237.db2.gz SAEWIUMCTVAYOY-UHFFFAOYSA-N -1 3 412.519 2.518 40 0 HFABHM COc1cc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)ccc1OC(F)F ZINC000019550108 558914864 /nfs/dbraw/zinc/91/48/64/558914864.db2.gz GUTWLDJONLWFSS-UHFFFAOYSA-N -1 3 420.460 2.581 40 0 HFABHM CN(C)c1ccc(C(=O)N2[C@H](C(=O)[O-])COC23CCN(Cc2ccccc2)CC3)cc1 ZINC000071980688 558917629 /nfs/dbraw/zinc/91/76/29/558917629.db2.gz MCNISYQUCHQGSJ-NRFANRHFSA-N -1 3 423.513 2.671 40 0 HFABHM COc1ccc(CN2CCc3nc([C@@H]4CCN(C(=O)C5CCC5)C4)[n-]c(=O)c3C2)cc1 ZINC000019555543 558918245 /nfs/dbraw/zinc/91/82/45/558918245.db2.gz AXPMBBUJJZFBLP-GOSISDBHSA-N -1 3 422.529 2.865 40 0 HFABHM Cc1nn(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c(C)c1C ZINC000019556569 558919101 /nfs/dbraw/zinc/91/91/01/558919101.db2.gz ORQJEAGDOOMJEV-HXUWFJFHSA-N -1 3 418.501 2.782 40 0 HFABHM COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)C4CCC4)C3)[n-]c(=O)c2C1 ZINC000019570575 558929454 /nfs/dbraw/zinc/92/94/54/558929454.db2.gz QNQQOQOKVOAIHW-SFHVURJKSA-N -1 3 422.529 2.865 40 0 HFABHM CSc1ncc(CN2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)cn1 ZINC000019574126 558931785 /nfs/dbraw/zinc/93/17/85/558931785.db2.gz WYECRBYHUKEYKS-INIZCTEOSA-N -1 3 400.552 2.652 40 0 HFABHM Cc1nc2c(c(=O)[n-]1)CC[C@@H]1CN(C(=O)c3cncn3[C@@H](C)c3ccccc3)C[C@H]21 ZINC000072336094 558937238 /nfs/dbraw/zinc/93/72/38/558937238.db2.gz LEPHOEDKBTXFEN-YJLNNSPDSA-N -1 3 403.486 2.686 40 0 HFABHM Cc1nn(C(F)F)cc1S(=O)(=O)[N-]Cc1cccc(OC[C@@H]2CCCO2)c1 ZINC000019583389 558937754 /nfs/dbraw/zinc/93/77/54/558937754.db2.gz IDDXXBOCUQFYOP-HNNXBMFYSA-N -1 3 401.435 2.623 40 0 HFABHM COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019593164 558944008 /nfs/dbraw/zinc/94/40/08/558944008.db2.gz BIAOFGBEFLGQGR-GOSISDBHSA-N -1 3 416.547 2.892 40 0 HFABHM COc1ccc2c(c1)C=C(CN1CCc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c3C1)CO2 ZINC000072347483 558944445 /nfs/dbraw/zinc/94/44/45/558944445.db2.gz FUUHYYVGNZRROZ-INIZCTEOSA-N -1 3 422.529 2.849 40 0 HFABHM COCc1ccc(OC)c(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)c1 ZINC000019594333 558945087 /nfs/dbraw/zinc/94/50/87/558945087.db2.gz BWEDLRZEKVFBTM-SFHVURJKSA-N -1 3 406.486 2.976 40 0 HFABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1 ZINC000040388774 558945555 /nfs/dbraw/zinc/94/55/55/558945555.db2.gz LXSBBLMXCSPXRK-XJKSGUPXSA-N -1 3 409.490 2.633 40 0 HFABHM O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1ccnc([N-]c2cnccn2)n1 ZINC000072377724 558966966 /nfs/dbraw/zinc/96/69/66/558966966.db2.gz UFDUATWXAYJHPV-INIZCTEOSA-N -1 3 400.439 2.675 40 0 HFABHM Cn1cc(CN2CCC(C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])CC2)cn1 ZINC000072389701 558970160 /nfs/dbraw/zinc/97/01/60/558970160.db2.gz KNVLLNPPCMAENS-GOSISDBHSA-N -1 3 400.454 2.809 40 0 HFABHM Cn1cc(CN2CCC(C[C@@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])CC2)cn1 ZINC000072389700 558970182 /nfs/dbraw/zinc/97/01/82/558970182.db2.gz KNVLLNPPCMAENS-SFHVURJKSA-N -1 3 400.454 2.809 40 0 HFABHM C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000072399051 558976537 /nfs/dbraw/zinc/97/65/37/558976537.db2.gz GYIXNGBNPZDIMQ-YQQAZPJKSA-N -1 3 412.559 2.752 40 0 HFABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@H]4CCN(C(=O)[C@H]5C[C@H]5C)C4)nc3C2)cc1 ZINC000072399131 558976675 /nfs/dbraw/zinc/97/66/75/558976675.db2.gz NXFGXNINQRZKCK-SYNHAJSKSA-N -1 3 422.529 2.721 40 0 HFABHM C[C@@H](c1cc(=O)[n-]c(NCCN(C)c2ccccc2)n1)n1ncc2ccccc2c1=O ZINC000019717487 558980132 /nfs/dbraw/zinc/98/01/32/558980132.db2.gz UCUGXHHMMOOXLB-INIZCTEOSA-N -1 3 416.485 2.637 40 0 HFABHM COc1nn(Cc2cc(=O)[n-]c(N[C@H](C)c3ccccc3)n2)c(=O)c2ccccc21 ZINC000019717559 558980286 /nfs/dbraw/zinc/98/02/86/558980286.db2.gz LQADBSHQIBBINK-CQSZACIVSA-N -1 3 403.442 2.710 40 0 HFABHM COc1ccc(OC)c(C(=O)N2CC[C@H](c3nc(-c4ccc[nH]c4=O)cc(=O)[n-]3)C2)c1 ZINC000100745114 559139671 /nfs/dbraw/zinc/13/96/71/559139671.db2.gz DLAIGWCWUIQFET-ZDUSSCGKSA-N -1 3 422.441 2.597 40 0 HFABHM Nc1[n-]n(-c2ccccc2)c(=O)c1C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000102950486 559153787 /nfs/dbraw/zinc/15/37/87/559153787.db2.gz MJCNCWNBFJHLRO-QGZVFWFLSA-N -1 3 418.375 2.928 40 0 HFABHM COc1ccc(CNC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000008117238 559274934 /nfs/dbraw/zinc/27/49/34/559274934.db2.gz DJPXQFXWYQNWSA-UHFFFAOYSA-N -1 3 403.287 2.597 40 0 HFABHM Cc1ccc(C)c(Cn2nnc3c2nc([C@H]2CCCN(C(=O)CC(C)C)C2)[n-]c3=O)c1 ZINC000004861926 560614048 /nfs/dbraw/zinc/61/40/48/560614048.db2.gz MDQZZEVSOJIZCK-KRWDZBQOSA-N -1 3 422.533 2.932 40 0 HFABHM CCOC(=O)C(=O)[N-]c1sc(C(=O)Nc2ccc(F)cc2)c(C)c1C(=O)OC ZINC000005007060 560620657 /nfs/dbraw/zinc/62/06/57/560620657.db2.gz HWXFYNBHLVNZCC-UHFFFAOYSA-N -1 3 408.407 2.736 40 0 HFABHM CC(C)CC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)CC1 ZINC000005625008 560627790 /nfs/dbraw/zinc/62/77/90/560627790.db2.gz GWXOVYFOVAURDP-UHFFFAOYSA-N -1 3 412.469 2.866 40 0 HFABHM CCOc1cc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)ccc1OCCO ZINC000057742431 568495574 /nfs/dbraw/zinc/49/55/74/568495574.db2.gz LIAAQXYSJKNKNS-UHFFFAOYSA-N -1 3 422.485 2.572 40 0 HFABHM CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000223276917 568543841 /nfs/dbraw/zinc/54/38/41/568543841.db2.gz VWBNFBYKRNPMFU-UHFFFAOYSA-N -1 3 417.256 2.514 40 0 HFABHM Cc1ccccc1-c1noc(C[N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000223604265 568553128 /nfs/dbraw/zinc/55/31/28/568553128.db2.gz GPXSAHGRVYUVFZ-UHFFFAOYSA-N -1 3 412.471 2.650 40 0 HFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)cc1NC(C)=O ZINC000223788335 568559093 /nfs/dbraw/zinc/55/90/93/568559093.db2.gz IJFHDGQKIPAXQG-UHFFFAOYSA-N -1 3 417.487 2.890 40 0 HFABHM COc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(F)cc3F)CC2)c(C)c1 ZINC000225928316 568686738 /nfs/dbraw/zinc/68/67/38/568686738.db2.gz HSQCDLQUSUPZHO-UHFFFAOYSA-N -1 3 410.442 2.873 40 0 HFABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000139107230 569354330 /nfs/dbraw/zinc/35/43/30/569354330.db2.gz BGPGDASDUQUHRJ-JKSUJKDBSA-N -1 3 409.490 2.912 40 0 HFABHM O=c1/c(=C/c2ccc([O-])c(I)c2)sc2nc3ccccc3n12 ZINC000198107802 569355447 /nfs/dbraw/zinc/35/54/47/569355447.db2.gz ANLLLJUJGVRXJG-ZSOIEALJSA-N -1 3 420.231 2.767 40 0 HFABHM