smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001603068151 972132214 /nfs/dbraw/zinc/13/22/14/972132214.db2.gz HEPGTUWSEPDOGV-LJQANCHMSA-N -1 1 385.464 1.720 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)cc2F)CC1 ZINC001596438576 984128231 /nfs/dbraw/zinc/12/82/31/984128231.db2.gz KVNRQLWPVDRCIE-IYBDPMFKSA-N -1 1 392.475 1.972 20 10 GDCDMM O=C([O-])C1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000740370463 596918074 /nfs/dbraw/zinc/91/80/74/596918074.db2.gz XJKQRHUFIQFLAE-UHFFFAOYSA-N -1 1 379.432 1.075 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)NCC(C)(C)C(=O)[O-])CC2)cc1 ZINC000832383870 601687577 /nfs/dbraw/zinc/68/75/77/601687577.db2.gz PBIDWKAPRLZEQB-UHFFFAOYSA-N -1 1 392.500 1.617 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)[O-])cc2F)CC1 ZINC000739456762 602753070 /nfs/dbraw/zinc/75/30/70/602753070.db2.gz PLQQFPFNEPYCPS-KRWDZBQOSA-N -1 1 378.448 1.726 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000739911075 603207681 /nfs/dbraw/zinc/20/76/81/603207681.db2.gz XGRKDZHRTQLHAS-MRXNPFEDSA-N -1 1 390.484 1.323 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](C)[C@H]1CNC(=O)[O-])cc2=O ZINC000827355726 603730499 /nfs/dbraw/zinc/73/04/99/603730499.db2.gz KLOVWQKXGSNQKP-SMDDNHRTSA-N -1 1 391.428 1.480 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](C)[C@H]1CNC(=O)[O-])cc2=O ZINC000827355715 603730797 /nfs/dbraw/zinc/73/07/97/603730797.db2.gz KLOVWQKXGSNQKP-BXUZGUMPSA-N -1 1 391.428 1.480 20 10 GDCDMM COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3CN(C)C(=O)[O-])CC2)cc1 ZINC000829423366 604100165 /nfs/dbraw/zinc/10/01/65/604100165.db2.gz FJZNONYWLHQISA-QGZVFWFLSA-N -1 1 390.484 1.418 20 10 GDCDMM CC(=O)c1cc(Cl)cc(C[NH2+]C2(C(=O)[O-])CCS(=O)(=O)CC2)c1[O-] ZINC000825946871 604439522 /nfs/dbraw/zinc/43/95/22/604439522.db2.gz UYGXZXDQJBHVJX-UHFFFAOYSA-N -1 1 375.830 1.370 20 10 GDCDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000822619821 606166569 /nfs/dbraw/zinc/16/65/69/606166569.db2.gz HASSPHCNFFPRMX-UHFFFAOYSA-N -1 1 399.484 1.475 20 10 GDCDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000822619821 606166570 /nfs/dbraw/zinc/16/65/70/606166570.db2.gz HASSPHCNFFPRMX-UHFFFAOYSA-N -1 1 399.484 1.475 20 10 GDCDMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000732525738 654476352 /nfs/dbraw/zinc/47/63/52/654476352.db2.gz FJBUFPVUGOWUQL-UHFFFAOYSA-N -1 1 381.479 1.735 20 10 GDCDMM NC(=O)c1ccccc1NCC(=O)NCc1cccc(Br)c1[O-] ZINC000809799067 655136579 /nfs/dbraw/zinc/13/65/79/655136579.db2.gz WGFIMTFVJFWDGC-UHFFFAOYSA-N -1 1 378.226 1.982 20 10 GDCDMM CCOC(=O)c1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000763284706 655190080 /nfs/dbraw/zinc/19/00/80/655190080.db2.gz YIJBNOSCLHQXFN-UHFFFAOYSA-N -1 1 386.411 1.044 20 10 GDCDMM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000764798433 655223435 /nfs/dbraw/zinc/22/34/35/655223435.db2.gz SBSWSZVOBAVNBU-IRUJWGPZSA-N -1 1 382.258 1.963 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC000822458542 655445695 /nfs/dbraw/zinc/44/56/95/655445695.db2.gz JDUNYFXMQBPBST-YPMHNXCESA-N -1 1 393.241 1.201 20 10 GDCDMM O=C(COC(=O)c1c(Br)nc2n1CCOC2)c1ccc([O-])c(O)c1 ZINC000856959317 655723736 /nfs/dbraw/zinc/72/37/36/655723736.db2.gz RWNRGQUIVXVDIG-UHFFFAOYSA-N -1 1 397.181 1.627 20 10 GDCDMM COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)N=S3(=O)CCCC3)C2)cc1 ZINC000867429099 656059324 /nfs/dbraw/zinc/05/93/24/656059324.db2.gz VKADNIUEQIJUNZ-AWEZNQCLSA-N -1 1 387.527 1.618 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)c3cnc(C(=O)[O-])cn3)CC2)cc1 ZINC000844252356 955670001 /nfs/dbraw/zinc/67/00/01/955670001.db2.gz KUZYAHZPDKTILM-UHFFFAOYSA-N -1 1 399.451 1.126 20 10 GDCDMM COc1cc(Cl)cc(CN2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1O ZINC000844933782 955682524 /nfs/dbraw/zinc/68/25/24/955682524.db2.gz HWTKJMDTWHGZTE-GFCCVEGCSA-N -1 1 382.844 1.952 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)c3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC000914839577 957093885 /nfs/dbraw/zinc/09/38/85/957093885.db2.gz TUSSWBCSKOUEDH-UHFFFAOYSA-N -1 1 398.463 1.731 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)N(C)CCCC(=O)[O-])CC2)cc1 ZINC001339692899 957861276 /nfs/dbraw/zinc/86/12/76/957861276.db2.gz AXTJIPVACSHPHU-UHFFFAOYSA-N -1 1 392.500 1.714 20 10 GDCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])C1 ZINC001591634561 992941677 /nfs/dbraw/zinc/94/16/77/992941677.db2.gz ACAKTEDHKMFXOQ-KUHUBIRLSA-N -1 1 385.464 1.454 20 10 GDCDMM CN1CCN(c2ccc(CNS(=O)(=O)CCCCCC(=O)[O-])cc2)CC1 ZINC001598624637 994066458 /nfs/dbraw/zinc/06/64/58/994066458.db2.gz QAAMGOJZQHJQPT-UHFFFAOYSA-N -1 1 383.514 1.503 20 10 GDCDMM O=C(CCC(=O)N1CCC(O)CC1)NCc1cccc(Br)c1[O-] ZINC000277392091 531277752 /nfs/dbraw/zinc/27/77/52/531277752.db2.gz ARLYRUAGTYTMGS-UHFFFAOYSA-N -1 1 385.258 1.534 20 10 GDCDMM CN1CC(=O)N(CCCC(=O)NCc2cccc(Br)c2[O-])C1=O ZINC000277587276 531295480 /nfs/dbraw/zinc/29/54/80/531295480.db2.gz SAUDLESHIHZDKB-UHFFFAOYSA-N -1 1 384.230 1.445 20 10 GDCDMM CN1CCCc2cc(CNS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc21 ZINC000736858358 598270969 /nfs/dbraw/zinc/27/09/69/598270969.db2.gz XREHZZHJYDJQNR-UHFFFAOYSA-N -1 1 385.453 1.123 20 10 GDCDMM CN1CCCc2cc(CNS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc21 ZINC000736858358 598270970 /nfs/dbraw/zinc/27/09/70/598270970.db2.gz XREHZZHJYDJQNR-UHFFFAOYSA-N -1 1 385.453 1.123 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCN(C(=O)[O-])[C@H](C)C2)c1 ZINC000738585529 603050783 /nfs/dbraw/zinc/05/07/83/603050783.db2.gz JQMLCJPQALMSTB-CQSZACIVSA-N -1 1 391.468 1.611 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCN(C(=O)[O-])[C@H](C)C2)c1 ZINC000738585529 603050785 /nfs/dbraw/zinc/05/07/85/603050785.db2.gz JQMLCJPQALMSTB-CQSZACIVSA-N -1 1 391.468 1.611 20 10 GDCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c1[O-] ZINC000823627572 604224138 /nfs/dbraw/zinc/22/41/38/604224138.db2.gz INIALEWTBSJHMJ-LBPRGKRZSA-N -1 1 381.404 1.330 20 10 GDCDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c1[O-] ZINC000823627572 604224143 /nfs/dbraw/zinc/22/41/43/604224143.db2.gz INIALEWTBSJHMJ-LBPRGKRZSA-N -1 1 381.404 1.330 20 10 GDCDMM CC(=O)c1cc(F)cc(CN2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c1O ZINC000823627572 604224145 /nfs/dbraw/zinc/22/41/45/604224145.db2.gz INIALEWTBSJHMJ-LBPRGKRZSA-N -1 1 381.404 1.330 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]([C@H](C)NC(=O)[O-])C1)cc2=O ZINC000827354512 604226369 /nfs/dbraw/zinc/22/63/69/604226369.db2.gz BXUIJSXZXFTVSY-NWDGAFQWSA-N -1 1 391.428 1.480 20 10 GDCDMM C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830935153 604278484 /nfs/dbraw/zinc/27/84/84/604278484.db2.gz QTLIEVZZNGKXAK-YERXGYGTSA-N -1 1 388.424 1.435 20 10 GDCDMM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)C1=S=C(c2nn[n-]n2)C=C1 ZINC000823323696 606546437 /nfs/dbraw/zinc/54/64/37/606546437.db2.gz ZZJRVZDFCDDWMU-UHFFFAOYSA-N -1 1 389.347 1.822 20 10 GDCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)OC)c2)cc1 ZINC000743253342 654714804 /nfs/dbraw/zinc/71/48/04/654714804.db2.gz BLYSMFUVSKKMLB-UHFFFAOYSA-N -1 1 387.439 1.364 20 10 GDCDMM CN(Cc1ccccc1O)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000751234855 654878037 /nfs/dbraw/zinc/87/80/37/654878037.db2.gz ARFTZWLGVPFHLC-UHFFFAOYSA-N -1 1 388.442 1.724 20 10 GDCDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)cc1 ZINC000808112062 655098400 /nfs/dbraw/zinc/09/84/00/655098400.db2.gz WSCJFAXXNXOGBE-UHFFFAOYSA-N -1 1 390.874 1.720 20 10 GDCDMM Cn1nnc(Br)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000811459616 655197070 /nfs/dbraw/zinc/19/70/70/655197070.db2.gz JHOFMDMLNYISDI-UHFFFAOYSA-N -1 1 390.035 1.976 20 10 GDCDMM CN(CCCNC(=O)NCc1cccc(Br)c1[O-])S(C)(=O)=O ZINC000764765342 655222697 /nfs/dbraw/zinc/22/26/97/655222697.db2.gz SGBJSODMVKMQRQ-UHFFFAOYSA-N -1 1 394.291 1.235 20 10 GDCDMM NC(=O)COc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765732906 655247620 /nfs/dbraw/zinc/24/76/20/655247620.db2.gz UOYMPHBEJPONEK-UHFFFAOYSA-N -1 1 379.210 1.949 20 10 GDCDMM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765733290 655247806 /nfs/dbraw/zinc/24/78/06/655247806.db2.gz WVHFRNVSVGVGRQ-UHFFFAOYSA-N -1 1 391.225 1.658 20 10 GDCDMM NS(=O)(=O)c1cc(C(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000765753036 655248733 /nfs/dbraw/zinc/24/87/33/655248733.db2.gz MSQYSPRMJBAKTA-UHFFFAOYSA-N -1 1 391.268 1.794 20 10 GDCDMM CC1(C)CN(S(=O)(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000766199784 655261162 /nfs/dbraw/zinc/26/11/62/655261162.db2.gz IGVGEVZETOHAFO-UHFFFAOYSA-N -1 1 379.276 1.600 20 10 GDCDMM C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CS1(=O)=O ZINC000821986925 655438367 /nfs/dbraw/zinc/43/83/67/655438367.db2.gz ZCFOHAMQNFHUDP-MWLCHTKSSA-N -1 1 391.287 1.920 20 10 GDCDMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000867381424 656049575 /nfs/dbraw/zinc/04/95/75/656049575.db2.gz FHJDTGZVLDGTCV-XMMPIXPASA-N -1 1 397.469 1.254 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883931967 657316704 /nfs/dbraw/zinc/31/67/04/657316704.db2.gz NVMKDNZZOVVJSQ-GFCCVEGCSA-N -1 1 382.258 1.965 20 10 GDCDMM O=C([O-])[C@]1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC001594854594 954215132 /nfs/dbraw/zinc/21/51/32/954215132.db2.gz OOGBADHXFZSCJY-RDTXWAMCSA-N -1 1 382.844 1.760 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)NC[C@H](C)C(=O)[O-])CC2)cc1 ZINC000848575707 955750335 /nfs/dbraw/zinc/75/03/35/955750335.db2.gz VXEYPKXKSDGFJN-HNNXBMFYSA-N -1 1 378.473 1.227 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)[C@@]3(C(=O)[O-])CCCO3)cc2F)CC1 ZINC001603763435 974209050 /nfs/dbraw/zinc/20/90/50/974209050.db2.gz GBQLPCUMIPSCHU-LJQANCHMSA-N -1 1 379.432 1.218 20 10 GDCDMM CS(=O)(=O)NCC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000289600636 532329122 /nfs/dbraw/zinc/32/91/22/532329122.db2.gz VDSXGKQOPDVUPK-UHFFFAOYSA-N -1 1 377.850 1.715 20 10 GDCDMM CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736531707 598266764 /nfs/dbraw/zinc/26/67/64/598266764.db2.gz IELQOUCIPABUMI-UHFFFAOYSA-N -1 1 387.469 1.586 20 10 GDCDMM CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736531707 598266765 /nfs/dbraw/zinc/26/67/65/598266765.db2.gz IELQOUCIPABUMI-UHFFFAOYSA-N -1 1 387.469 1.586 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000736185035 600418283 /nfs/dbraw/zinc/41/82/83/600418283.db2.gz BAXZWZYSOFJQTJ-OAHLLOKOSA-N -1 1 376.453 1.724 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)c1 ZINC000738585791 601911645 /nfs/dbraw/zinc/91/16/45/601911645.db2.gz MXEAEKUIZWFPHP-HNNXBMFYSA-N -1 1 391.468 1.517 20 10 GDCDMM CN(Cc1ccccc1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825981769 607626290 /nfs/dbraw/zinc/62/62/90/607626290.db2.gz XUIIXBAEPNTGGX-UHFFFAOYSA-N -1 1 390.381 1.301 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](C)[C@@H]1CNC(=O)[O-])cc2=O ZINC000827355719 603730263 /nfs/dbraw/zinc/73/02/63/603730263.db2.gz KLOVWQKXGSNQKP-FZMZJTMJSA-N -1 1 391.428 1.480 20 10 GDCDMM CN(C)c1ccc(CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C2CC2)cc1 ZINC000821589221 606167102 /nfs/dbraw/zinc/16/71/02/606167102.db2.gz DDNYCMSUOORLDX-UHFFFAOYSA-N -1 1 381.444 1.863 20 10 GDCDMM CN(C)c1ccc(CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C2CC2)cc1 ZINC000821589221 606167103 /nfs/dbraw/zinc/16/71/03/606167103.db2.gz DDNYCMSUOORLDX-UHFFFAOYSA-N -1 1 381.444 1.863 20 10 GDCDMM O=C(Cc1cc[nH]c(=O)c1Br)OCC(=O)c1ccc([O-])c(O)c1 ZINC000785032898 654904479 /nfs/dbraw/zinc/90/44/79/654904479.db2.gz SYYXCSMAVMOMGK-UHFFFAOYSA-N -1 1 382.166 1.930 20 10 GDCDMM O=C(NCCS(=O)(=O)CC1CC1)NCc1cccc(Br)c1[O-] ZINC000764799337 655223490 /nfs/dbraw/zinc/22/34/90/655223490.db2.gz JWIFGWFDCHXPRB-UHFFFAOYSA-N -1 1 391.287 1.779 20 10 GDCDMM CCS(=O)(=O)CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000840472989 655288483 /nfs/dbraw/zinc/28/84/83/655288483.db2.gz QUZWBQOVMSXKTO-UHFFFAOYSA-N -1 1 379.276 1.779 20 10 GDCDMM C[C@@H](NCc1nnc2c(=O)n(C)ccn12)c1cc(Br)cc(F)c1[O-] ZINC000883335254 657282454 /nfs/dbraw/zinc/28/24/54/657282454.db2.gz OXMXZTNIHPXUMM-MRVPVSSYSA-N -1 1 396.220 1.886 20 10 GDCDMM CN1CCN(c2ccc(CNS(=O)(=O)c3ccccc3C(=O)[O-])cc2)CC1 ZINC001198799953 960594387 /nfs/dbraw/zinc/59/43/87/960594387.db2.gz YZGSAXIJTJIDQZ-UHFFFAOYSA-N -1 1 389.477 1.615 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N(C)CCCC(=O)[O-])cc2F)CC1 ZINC001341352458 969750883 /nfs/dbraw/zinc/75/08/83/969750883.db2.gz GMGPPJKEZMBTCG-UHFFFAOYSA-N -1 1 380.464 1.974 20 10 GDCDMM CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cncc(C(=O)[O-])c2)N(C)C)cc1 ZINC001598314495 991298167 /nfs/dbraw/zinc/29/81/67/991298167.db2.gz VFWWITKQHCGOQM-QGZVFWFLSA-N -1 1 392.481 1.427 20 10 GDCDMM CCOC(=O)c1ccsc1NC=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000060863455 530738153 /nfs/dbraw/zinc/73/81/53/530738153.db2.gz XCGQLOBFVGHFAM-NTMALXAHSA-N -1 1 383.451 1.110 20 10 GDCDMM O=C(CSc1nnnn1C1CC1)NCc1cccc(Br)c1[O-] ZINC000277436563 531282351 /nfs/dbraw/zinc/28/23/51/531282351.db2.gz FAOCLITWEZUTGT-UHFFFAOYSA-N -1 1 384.259 1.885 20 10 GDCDMM CS(=O)(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000269440363 531670961 /nfs/dbraw/zinc/67/09/61/531670961.db2.gz FKTGXWKEZTVKSE-SNVBAGLBSA-N -1 1 377.850 1.715 20 10 GDCDMM CN1CCN(C[C@@H]2CN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CCO2)CC1 ZINC000737525941 600228238 /nfs/dbraw/zinc/22/82/38/600228238.db2.gz IHLZBVJIYFTGJE-OICCZTGUSA-N -1 1 390.440 1.145 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N3C[C@H](C)[C@@H](C(=O)[O-])C3)cc2F)CC1 ZINC000829781074 601500411 /nfs/dbraw/zinc/50/04/11/601500411.db2.gz PZOSXEGKAIOHQI-HOCLYGCPSA-N -1 1 392.475 1.830 20 10 GDCDMM COC(=O)CN(Cc1ccnc(-c2nn[n-]n2)c1)Cc1cc(Cl)ccc1O ZINC000826138279 607519271 /nfs/dbraw/zinc/51/92/71/607519271.db2.gz NNPQYKVLCHPCCU-UHFFFAOYSA-N -1 1 388.815 1.796 20 10 GDCDMM CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(F)cc(Cl)c2)ccc1[O-] ZINC000790408420 655048389 /nfs/dbraw/zinc/04/83/89/655048389.db2.gz YNKNZMPEZBSMMO-UHFFFAOYSA-N -1 1 394.833 1.894 20 10 GDCDMM O=C(NCc1nnnn1CC1CC1)NCc1cccc(Br)c1[O-] ZINC000764807311 655223684 /nfs/dbraw/zinc/22/36/84/655223684.db2.gz RQGDWQRKSFGOMI-UHFFFAOYSA-N -1 1 381.234 1.551 20 10 GDCDMM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1cccc(Br)c1[O-] ZINC000765763495 655249122 /nfs/dbraw/zinc/24/91/22/655249122.db2.gz BWOFBCSLGJLGDA-UHFFFAOYSA-N -1 1 382.170 1.541 20 10 GDCDMM Cn1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])ccc1=O ZINC000765928522 655252625 /nfs/dbraw/zinc/25/26/25/655252625.db2.gz ZLRALPLHCCKEAF-UHFFFAOYSA-N -1 1 380.198 1.108 20 10 GDCDMM CO[C@@H](CS(=O)(=O)NCc1cccc(Br)c1[O-])[C@H]1CCOC1 ZINC000849390355 655526155 /nfs/dbraw/zinc/52/61/55/655526155.db2.gz MFCPMZJQQIMUSZ-AAEUAGOBSA-N -1 1 394.287 1.626 20 10 GDCDMM CC(C)CN1C(=O)C(=CNN=c2[nH]c3cccnc3s2)C(=O)[N-]C1=S ZINC000856719204 655715078 /nfs/dbraw/zinc/71/50/78/655715078.db2.gz RYNGPGSGSWLHPR-RMKNXTFCSA-N -1 1 376.467 1.391 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cnn2c1CCCC2 ZINC000873851259 656422947 /nfs/dbraw/zinc/42/29/47/656422947.db2.gz JVUFBVQKDMTFRH-UHFFFAOYSA-N -1 1 393.241 1.942 20 10 GDCDMM O=C(CN1CCCCS1(=O)=O)NCc1cccc(Br)c1[O-] ZINC000879774174 656828760 /nfs/dbraw/zinc/82/87/60/656828760.db2.gz FEUHCWDFIFUSAO-UHFFFAOYSA-N -1 1 377.260 1.197 20 10 GDCDMM Cn1nnc2c1C[C@H](NC(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000927861656 656846526 /nfs/dbraw/zinc/84/65/26/656846526.db2.gz QLMGINIXSRWMQI-SNVBAGLBSA-N -1 1 380.246 1.640 20 10 GDCDMM CC[C@](C)(NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(=O)[O-] ZINC001594848628 982081785 /nfs/dbraw/zinc/08/17/85/982081785.db2.gz IMGOADDQONNBPA-YRVVQQKDSA-N -1 1 395.475 1.898 20 10 GDCDMM COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001598949730 998125525 /nfs/dbraw/zinc/12/55/25/998125525.db2.gz DURJSZSCRQKXIN-UHFFFAOYSA-N -1 1 395.389 1.833 20 10 GDCDMM O=C(NCCCN1C(=O)CCC1=O)NCc1cccc(Br)c1[O-] ZINC000277283404 531270744 /nfs/dbraw/zinc/27/07/44/531270744.db2.gz BACZRPXMWACAOZ-UHFFFAOYSA-N -1 1 384.230 1.493 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000277700812 531304505 /nfs/dbraw/zinc/30/45/05/531304505.db2.gz HSWXOPJFSDZFCB-JTQLQIEISA-N -1 1 382.258 1.965 20 10 GDCDMM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738104441 598994835 /nfs/dbraw/zinc/99/48/35/598994835.db2.gz YEDNBZHOUJFMRM-UHFFFAOYSA-N -1 1 383.387 1.167 20 10 GDCDMM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738104441 598994837 /nfs/dbraw/zinc/99/48/37/598994837.db2.gz YEDNBZHOUJFMRM-UHFFFAOYSA-N -1 1 383.387 1.167 20 10 GDCDMM C[C@@H]1CN(c2ccc(CNC(=O)CNC(C)(C)C(=O)[O-])cc2F)C[C@H](C)O1 ZINC000736827929 599923645 /nfs/dbraw/zinc/92/36/45/599923645.db2.gz VVFQYGDMRATTSG-BETUJISGSA-N -1 1 381.448 1.508 20 10 GDCDMM CN1CCN(C[C@H]2CN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CCO2)CC1 ZINC000737525939 600228326 /nfs/dbraw/zinc/22/83/26/600228326.db2.gz IHLZBVJIYFTGJE-IMMZDGJCSA-N -1 1 390.440 1.145 20 10 GDCDMM Cn1cc(-c2csc(NS(=O)(=O)c3ccc(OCC(=O)[O-])cc3)n2)cn1 ZINC000833041333 600984613 /nfs/dbraw/zinc/98/46/13/600984613.db2.gz QFXXBZYMUGNATL-UHFFFAOYSA-N -1 1 394.434 1.808 20 10 GDCDMM Cc1cc(C2=NC(=CC3=S=C(c4nn[n-]n4)C=C3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000822198874 606392836 /nfs/dbraw/zinc/39/28/36/606392836.db2.gz MPKDCPXGBVCGSY-XFFZJAGNSA-N -1 1 382.361 1.300 20 10 GDCDMM O=S(=O)([N-]c1ccc(O)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000776745062 654707136 /nfs/dbraw/zinc/70/71/36/654707136.db2.gz RWONRFXAUYCNKL-UHFFFAOYSA-N -1 1 382.463 1.978 20 10 GDCDMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(Br)ccc2O)co1 ZINC000804740422 655000347 /nfs/dbraw/zinc/00/03/47/655000347.db2.gz GMWIMYIJNZHLOD-UHFFFAOYSA-N -1 1 389.227 1.586 20 10 GDCDMM COc1nn(C)cc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765931777 655252704 /nfs/dbraw/zinc/25/27/04/655252704.db2.gz RLXNPHIHRQQSGE-UHFFFAOYSA-N -1 1 383.202 1.152 20 10 GDCDMM CC(=O)NCC[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@@H](C)C(=O)[O-] ZINC001588513220 958764368 /nfs/dbraw/zinc/76/43/68/958764368.db2.gz JRCIGZGWWSYDSU-QMMMGPOBSA-N -1 1 377.210 1.705 20 10 GDCDMM CN1CCN(c2ccc(CNC(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cc2)CC1 ZINC001357547540 962759862 /nfs/dbraw/zinc/75/98/62/962759862.db2.gz UAONGCMQKKNALH-RBUKOAKNSA-N -1 1 386.496 1.691 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)NCCCC(=O)[O-])CC2)cc1 ZINC000831003855 979024967 /nfs/dbraw/zinc/02/49/67/979024967.db2.gz HOFLFVCGVWYTFT-UHFFFAOYSA-N -1 1 378.473 1.371 20 10 GDCDMM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000277483733 531286763 /nfs/dbraw/zinc/28/67/63/531286763.db2.gz IWTJDYKFEVSYRX-GFCCVEGCSA-N -1 1 393.303 1.735 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)[C@@H](NC(=O)[O-])C(C)C)CC2)cc1 ZINC000738022823 599909638 /nfs/dbraw/zinc/90/96/38/599909638.db2.gz OFFBAWMKIIXESO-SFHVURJKSA-N -1 1 392.500 1.616 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)cc2F)CC1 ZINC000829781072 601500190 /nfs/dbraw/zinc/50/01/90/601500190.db2.gz PZOSXEGKAIOHQI-GDBMZVCRSA-N -1 1 392.475 1.830 20 10 GDCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000023398272 644270355 /nfs/dbraw/zinc/27/03/55/644270355.db2.gz RBTVDERRULQYOH-UHFFFAOYSA-N -1 1 384.435 1.646 20 10 GDCDMM Cc1cc(I)ccc1NC=C1C(=O)[N-]C(=S)NC1=O ZINC000048403127 644386994 /nfs/dbraw/zinc/38/69/94/644386994.db2.gz FYKWZVUXTHKSAZ-UHFFFAOYSA-N -1 1 387.202 1.426 20 10 GDCDMM CCCS(=O)(=O)Cc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000771211887 654532766 /nfs/dbraw/zinc/53/27/66/654532766.db2.gz PBSNFWHAILEDFL-UHFFFAOYSA-N -1 1 375.428 1.139 20 10 GDCDMM Cn1cc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1C(=O)NCC(F)(F)F ZINC000776746157 654707141 /nfs/dbraw/zinc/70/71/41/654707141.db2.gz UAXWGVDUANDZMN-UHFFFAOYSA-N -1 1 377.344 1.824 20 10 GDCDMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)o1 ZINC000804739728 655000315 /nfs/dbraw/zinc/00/03/15/655000315.db2.gz QKOFVEYRKACDIU-UHFFFAOYSA-N -1 1 389.227 1.586 20 10 GDCDMM O=C(NCCNC(=O)c1cccnc1)NCc1cccc(Br)c1[O-] ZINC000765448702 655240581 /nfs/dbraw/zinc/24/05/81/655240581.db2.gz FABJVYVXCWNKLI-UHFFFAOYSA-N -1 1 393.241 1.779 20 10 GDCDMM CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765732836 655247762 /nfs/dbraw/zinc/24/77/62/655247762.db2.gz SYGWVSIAQIWKSX-LLVKDONJSA-N -1 1 377.260 1.195 20 10 GDCDMM NS(=O)(=O)CCCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000846016572 655444473 /nfs/dbraw/zinc/44/44/73/655444473.db2.gz VRTJRCHRIJYSEJ-UHFFFAOYSA-N -1 1 379.276 1.620 20 10 GDCDMM CC1=C(C(=O)NCc2cccc(Br)c2[O-])[C@@H](C)n2nnnc2N1C ZINC000847931740 655479018 /nfs/dbraw/zinc/47/90/18/655479018.db2.gz UTSLIPFAAPPOJL-SECBINFHSA-N -1 1 393.245 1.742 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN(C)Cc2nnc3c(=O)[nH]ccn23)c1 ZINC000895622703 658715672 /nfs/dbraw/zinc/71/56/72/658715672.db2.gz MZWBUTIVLUQOBJ-UHFFFAOYSA-N -1 1 378.230 1.826 20 10 GDCDMM O=C([O-])[C@]1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC001594854591 954214497 /nfs/dbraw/zinc/21/44/97/954214497.db2.gz OOGBADHXFZSCJY-KBXCAEBGSA-N -1 1 382.844 1.760 20 10 GDCDMM O=C([O-])[C@@]1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC001594854593 954214943 /nfs/dbraw/zinc/21/49/43/954214943.db2.gz OOGBADHXFZSCJY-KSSFIOAISA-N -1 1 382.844 1.760 20 10 GDCDMM CN(C)c1ccc([C@H](CNS(=O)(=O)c2cncc(C(=O)[O-])c2)N(C)C)cc1 ZINC001598314494 991297895 /nfs/dbraw/zinc/29/78/95/991297895.db2.gz VFWWITKQHCGOQM-KRWDZBQOSA-N -1 1 392.481 1.427 20 10 GDCDMM COCC(COC)N1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC1 ZINC001599164685 998521243 /nfs/dbraw/zinc/52/12/43/998521243.db2.gz PPEZDIQGVKHYTI-UHFFFAOYSA-N -1 1 393.459 1.795 20 10 GDCDMM CCNC(=O)N1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277332383 531273510 /nfs/dbraw/zinc/27/35/10/531273510.db2.gz FEMKXYJAHOGVKK-NSHDSACASA-N -1 1 385.262 1.758 20 10 GDCDMM Cc1nn(C)c(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000277480469 531286174 /nfs/dbraw/zinc/28/61/74/531286174.db2.gz KRVRJQWGEZIZHY-UHFFFAOYSA-N -1 1 381.230 1.760 20 10 GDCDMM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000376612949 532221782 /nfs/dbraw/zinc/22/17/82/532221782.db2.gz XSMIEUONYYWNHB-BXUZGUMPSA-N -1 1 389.905 1.064 20 10 GDCDMM NC(=O)COc1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000739163038 600314873 /nfs/dbraw/zinc/31/48/73/600314873.db2.gz LLVOZLWNZKWNNY-UHFFFAOYSA-N -1 1 378.812 1.997 20 10 GDCDMM NC(=O)COc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000739163038 600314877 /nfs/dbraw/zinc/31/48/77/600314877.db2.gz LLVOZLWNZKWNNY-UHFFFAOYSA-N -1 1 378.812 1.997 20 10 GDCDMM Cc1cc(C2=NC(=CC3=S=C(c4nn[n-]n4)C=C3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000822198875 606392686 /nfs/dbraw/zinc/39/26/86/606392686.db2.gz MPKDCPXGBVCGSY-YRNVUSSQSA-N -1 1 382.361 1.300 20 10 GDCDMM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000764798435 655223528 /nfs/dbraw/zinc/22/35/28/655223528.db2.gz SBSWSZVOBAVNBU-XWIASGKRSA-N -1 1 382.258 1.963 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCCS(=O)(=O)C1 ZINC000765537354 655243117 /nfs/dbraw/zinc/24/31/17/655243117.db2.gz SACJLKOKBZXHBG-JTQLQIEISA-N -1 1 377.260 1.531 20 10 GDCDMM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1cc(Br)ccc1O ZINC000867265695 656026245 /nfs/dbraw/zinc/02/62/45/656026245.db2.gz LFRVBYQSSLGDHZ-UHFFFAOYSA-N -1 1 385.305 1.997 20 10 GDCDMM O=S(=O)([N-]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccns1 ZINC000885232508 657431920 /nfs/dbraw/zinc/43/19/20/657431920.db2.gz YECIMLYSFSTEEW-UHFFFAOYSA-N -1 1 375.422 1.736 20 10 GDCDMM O=C(COc1nsnc1N1CCOCC1)NCc1cccc(Cl)c1[O-] ZINC000890761740 658149412 /nfs/dbraw/zinc/14/94/12/658149412.db2.gz WIDBJAMHFRDICL-UHFFFAOYSA-N -1 1 384.845 1.429 20 10 GDCDMM COCCN(CC(=O)[O-])C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001593998178 956910156 /nfs/dbraw/zinc/91/01/56/956910156.db2.gz YCYJCETZMJLRKU-UHFFFAOYSA-N -1 1 387.480 1.967 20 10 GDCDMM COc1cc(N2CCN(C[C@@H]3[C@@H](C(=O)[O-])C3(F)F)CC2)cc(OC)c1OC ZINC001599427385 997699680 /nfs/dbraw/zinc/69/96/80/997699680.db2.gz PKXNJVKIBWXAJP-DOMZBBRYSA-N -1 1 386.395 1.800 20 10 GDCDMM COCCn1nc(C(=O)NCc2cccc(Br)c2[O-])ccc1=O ZINC000277548843 531291562 /nfs/dbraw/zinc/29/15/62/531291562.db2.gz OAKYFVDOFHFKQJ-UHFFFAOYSA-N -1 1 382.214 1.288 20 10 GDCDMM C[C@H]1CN(c2ccc(CNC(=O)CN(C)CCC(=O)[O-])cc2F)C[C@H](C)O1 ZINC000737758893 596994600 /nfs/dbraw/zinc/99/46/00/596994600.db2.gz UFSOMJQDDHGBNP-KBPBESRZSA-N -1 1 381.448 1.462 20 10 GDCDMM O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344243 598266101 /nfs/dbraw/zinc/26/61/01/598266101.db2.gz CWBHVFHXLBSKLK-UHFFFAOYSA-N -1 1 385.453 1.340 20 10 GDCDMM O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344243 598266102 /nfs/dbraw/zinc/26/61/02/598266102.db2.gz CWBHVFHXLBSKLK-UHFFFAOYSA-N -1 1 385.453 1.340 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2F)CC1 ZINC000737122916 600495542 /nfs/dbraw/zinc/49/55/42/600495542.db2.gz NKHVIGXORRTSKL-MRXNPFEDSA-N -1 1 392.475 1.974 20 10 GDCDMM C[C@](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)(C(=O)[O-])C1CC1 ZINC000827728633 601175280 /nfs/dbraw/zinc/17/52/80/601175280.db2.gz UHLBKLSJCHCXTR-LJQANCHMSA-N -1 1 379.432 1.121 20 10 GDCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(C(=O)OC)s1 ZINC000758168999 655052836 /nfs/dbraw/zinc/05/28/36/655052836.db2.gz JVRQVYGJBJNXHZ-UHFFFAOYSA-N -1 1 389.382 1.967 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCCS1(=O)=O ZINC000764799825 655223391 /nfs/dbraw/zinc/22/33/91/655223391.db2.gz LZUBIFIWYBXPSU-JTQLQIEISA-N -1 1 377.260 1.531 20 10 GDCDMM CNC(=O)Cn1nc(NC(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000765328138 655238087 /nfs/dbraw/zinc/23/80/87/655238087.db2.gz OYZYZDUHTIMNNL-UHFFFAOYSA-N -1 1 396.245 1.727 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)[C@H]3COCC[C@H]32)c1 ZINC000839185862 655241008 /nfs/dbraw/zinc/24/10/08/655241008.db2.gz HAPYJANYMFWWRG-KGLIPLIRSA-N -1 1 390.299 1.851 20 10 GDCDMM CCC1(CC)NC(=O)N(CC(=O)NCc2cccc(Br)c2[O-])C1=O ZINC000765737266 655248006 /nfs/dbraw/zinc/24/80/06/655248006.db2.gz TUTSLTDSSNFXSG-UHFFFAOYSA-N -1 1 398.257 1.882 20 10 GDCDMM Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c(=O)n(C)c1 ZINC000765904361 655252167 /nfs/dbraw/zinc/25/21/67/655252167.db2.gz RTPVLLXASCYKGF-UHFFFAOYSA-N -1 1 394.225 1.417 20 10 GDCDMM Cc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c(=O)[nH]1 ZINC000765925008 655252402 /nfs/dbraw/zinc/25/24/02/655252402.db2.gz CKTREAWONBQEOJ-UHFFFAOYSA-N -1 1 380.198 1.819 20 10 GDCDMM CN(C)c1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765928206 655252659 /nfs/dbraw/zinc/25/26/59/655252659.db2.gz WJBKBJWHPIZUGS-UHFFFAOYSA-N -1 1 393.241 1.871 20 10 GDCDMM C[C@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])CS1(=O)=O ZINC000821986927 655438355 /nfs/dbraw/zinc/43/83/55/655438355.db2.gz ZCFOHAMQNFHUDP-ONGXEEELSA-N -1 1 391.287 1.920 20 10 GDCDMM O=C(Cn1nc2n(c1=O)CCCC2)NCc1cccc(Br)c1[O-] ZINC000846014001 655444267 /nfs/dbraw/zinc/44/42/67/655444267.db2.gz GYZRGDAYLZASPZ-UHFFFAOYSA-N -1 1 381.230 1.166 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000822458538 655445687 /nfs/dbraw/zinc/44/56/87/655445687.db2.gz JDUNYFXMQBPBST-AAEUAGOBSA-N -1 1 393.241 1.201 20 10 GDCDMM C[C@@H]1[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCS1(=O)=O ZINC000875866786 656569393 /nfs/dbraw/zinc/56/93/93/656569393.db2.gz HEHASGASTVXPNL-LDYMZIIASA-N -1 1 377.260 1.530 20 10 GDCDMM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000894800405 658615546 /nfs/dbraw/zinc/61/55/46/658615546.db2.gz DCIQCTHNBMBELX-GFCCVEGCSA-N -1 1 375.878 1.659 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)[C@H](C(=O)[O-])C3CC3)CC2)cc1 ZINC000852952983 939241460 /nfs/dbraw/zinc/24/14/60/939241460.db2.gz YXJAPQLLUUELRC-GOSISDBHSA-N -1 1 375.469 1.434 20 10 GDCDMM O=C([O-])C[NH+]1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC001606240288 973512508 /nfs/dbraw/zinc/51/25/08/973512508.db2.gz GHIWRNAQCXOGST-UHFFFAOYSA-N -1 1 386.246 1.503 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC001589268477 985954792 /nfs/dbraw/zinc/95/47/92/985954792.db2.gz RUAIUXZVOGVVLY-FZKQIMNGSA-N -1 1 376.453 1.722 20 10 GDCDMM CN1CCN(c2ccc(CNC(=O)Nc3cccc(CC(=O)[O-])n3)cc2)CC1 ZINC001598625037 994073916 /nfs/dbraw/zinc/07/39/16/994073916.db2.gz XPRVNNDGQCQNPF-UHFFFAOYSA-N -1 1 383.452 1.782 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)NCCSCC(=O)[O-])cc2F)CC1 ZINC000737123249 600023915 /nfs/dbraw/zinc/02/39/15/600023915.db2.gz PRYLHVDZBBOSKO-UHFFFAOYSA-N -1 1 398.504 1.585 20 10 GDCDMM CN1CCN(C[C@H]2CN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CCO2)CC1 ZINC000737525942 600228338 /nfs/dbraw/zinc/22/83/38/600228338.db2.gz IHLZBVJIYFTGJE-WMHVBEDNSA-N -1 1 390.440 1.145 20 10 GDCDMM C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830935152 604277989 /nfs/dbraw/zinc/27/79/89/604277989.db2.gz QTLIEVZZNGKXAK-WRLNGNIRSA-N -1 1 388.424 1.435 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000738585743 605897469 /nfs/dbraw/zinc/89/74/69/605897469.db2.gz MPEBXRVWDIKEBB-KRWDZBQOSA-N -1 1 377.441 1.269 20 10 GDCDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1ccc(O)c(O)c1 ZINC000822004453 607191881 /nfs/dbraw/zinc/19/18/81/607191881.db2.gz HQNNIFMJQCHMFG-UHFFFAOYSA-N -1 1 384.396 1.244 20 10 GDCDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1ccc(O)c(O)c1 ZINC000822542295 607191982 /nfs/dbraw/zinc/19/19/82/607191982.db2.gz XGQSCZOBOIKQAG-UHFFFAOYSA-N -1 1 380.364 1.900 20 10 GDCDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1ccc(O)c(O)c1 ZINC000822542295 607191983 /nfs/dbraw/zinc/19/19/83/607191983.db2.gz XGQSCZOBOIKQAG-UHFFFAOYSA-N -1 1 380.364 1.900 20 10 GDCDMM C[C@@H]1CN(S(=O)(=O)NCc2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000766201235 655261490 /nfs/dbraw/zinc/26/14/90/655261490.db2.gz QDJGYBMMFVZCCC-AOOOYVTPSA-N -1 1 379.276 1.598 20 10 GDCDMM C[C@@H]1CN(S(=O)(=O)NCc2cccc(Br)c2[O-])C[C@@H](C)O1 ZINC000766201240 655261496 /nfs/dbraw/zinc/26/14/96/655261496.db2.gz QDJGYBMMFVZCCC-NXEZZACHSA-N -1 1 379.276 1.598 20 10 GDCDMM CS(C)(=O)=NS(=O)(=O)[N-][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000866886392 655973627 /nfs/dbraw/zinc/97/36/27/655973627.db2.gz YNFKDCNNVOYFKG-NSHDSACASA-N -1 1 397.469 1.819 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(N2CCOCC2)ncn1 ZINC000867831403 656122747 /nfs/dbraw/zinc/12/27/47/656122747.db2.gz YDXMUWNCHKHSIM-UHFFFAOYSA-N -1 1 393.241 1.711 20 10 GDCDMM C[C@H](NCc1nnc2c(=O)n(C)ccn12)c1cc(Br)c(F)cc1[O-] ZINC000883335313 657282256 /nfs/dbraw/zinc/28/22/56/657282256.db2.gz QACHWEBVAQZXTQ-QMMMGPOBSA-N -1 1 396.220 1.886 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000935662202 657463919 /nfs/dbraw/zinc/46/39/19/657463919.db2.gz ALCRDKBGYJQXBC-HIFRSBDPSA-N -1 1 399.285 1.651 20 10 GDCDMM C[C@H](CC(=O)NCCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001574503703 950419275 /nfs/dbraw/zinc/41/92/75/950419275.db2.gz YUJIQNGIHAMPKW-CYBMUJFWSA-N -1 1 382.472 1.736 20 10 GDCDMM C[C@H](CC(=O)NCCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001574503703 950419283 /nfs/dbraw/zinc/41/92/83/950419283.db2.gz YUJIQNGIHAMPKW-CYBMUJFWSA-N -1 1 382.472 1.736 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)c1 ZINC001589268474 985954553 /nfs/dbraw/zinc/95/45/53/985954553.db2.gz RUAIUXZVOGVVLY-ACJLOTCBSA-N -1 1 376.453 1.722 20 10 GDCDMM COc1ccc(N2CC[C@H](CNS(=O)(=O)c3cc(C(=O)[O-])no3)C2)cc1 ZINC001599586475 993620062 /nfs/dbraw/zinc/62/00/62/993620062.db2.gz QWAYIDSDKCYRQS-LLVKDONJSA-N -1 1 381.410 1.186 20 10 GDCDMM COc1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)ccc1O ZINC001599445744 998006531 /nfs/dbraw/zinc/00/65/31/998006531.db2.gz XURKDHQYYCLZKQ-UHFFFAOYSA-N -1 1 383.378 1.917 20 10 GDCDMM COCCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000267326833 531419804 /nfs/dbraw/zinc/41/98/04/531419804.db2.gz BABJPUISGIADBI-CQSZACIVSA-N -1 1 375.874 1.884 20 10 GDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nnc(CC(F)(F)F)s2)c1 ZINC000268989549 531596918 /nfs/dbraw/zinc/59/69/18/531596918.db2.gz DNBBNRLMYKCANM-UHFFFAOYSA-N -1 1 396.372 1.972 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2F)CC1 ZINC000829780857 602068739 /nfs/dbraw/zinc/06/87/39/602068739.db2.gz MJVIDZFBTRUJOY-FQEVSTJZSA-N -1 1 392.475 1.974 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)NCCCNC(=O)[O-])cc2F)CC1 ZINC000739454647 602714307 /nfs/dbraw/zinc/71/43/07/602714307.db2.gz DWJKSMYQSWITPQ-UHFFFAOYSA-N -1 1 381.452 1.425 20 10 GDCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c1[O-] ZINC000823627570 604223796 /nfs/dbraw/zinc/22/37/96/604223796.db2.gz INIALEWTBSJHMJ-GFCCVEGCSA-N -1 1 381.404 1.330 20 10 GDCDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c1[O-] ZINC000823627570 604223799 /nfs/dbraw/zinc/22/37/99/604223799.db2.gz INIALEWTBSJHMJ-GFCCVEGCSA-N -1 1 381.404 1.330 20 10 GDCDMM CC(=O)c1cc(F)cc(CN2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)c1O ZINC000823627570 604223801 /nfs/dbraw/zinc/22/38/01/604223801.db2.gz INIALEWTBSJHMJ-GFCCVEGCSA-N -1 1 381.404 1.330 20 10 GDCDMM Cn1ccnc1[C@H](NC=C1C(=O)[N-]C(=S)NC1=O)c1ccc(Cl)cc1 ZINC000029009239 644298655 /nfs/dbraw/zinc/29/86/55/644298655.db2.gz LSEOKPMWINUQFT-GFCCVEGCSA-N -1 1 375.841 1.167 20 10 GDCDMM COC(=O)c1sc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nc1C ZINC000748290031 654802580 /nfs/dbraw/zinc/80/25/80/654802580.db2.gz KMQSVZYNCVLPMI-UHFFFAOYSA-N -1 1 385.423 1.568 20 10 GDCDMM O=C(CC1(n2cnnn2)CCOCC1)NCc1cccc(Br)c1[O-] ZINC000834476292 655069440 /nfs/dbraw/zinc/06/94/40/655069440.db2.gz UFLXXXULYCNUJM-UHFFFAOYSA-N -1 1 396.245 1.353 20 10 GDCDMM NC(=O)c1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765928239 655252675 /nfs/dbraw/zinc/25/26/75/655252675.db2.gz WYSFFCMCBSKDDF-UHFFFAOYSA-N -1 1 392.209 1.509 20 10 GDCDMM O=C1C[C@@H](S(=O)(=O)NCc2cccc(Br)c2[O-])CN1C1CC1 ZINC000867195428 656010710 /nfs/dbraw/zinc/01/07/10/656010710.db2.gz SOASCQFLXHDNAT-LLVKDONJSA-N -1 1 389.271 1.337 20 10 GDCDMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000867497788 656071109 /nfs/dbraw/zinc/07/11/09/656071109.db2.gz TVWJKXXCFOBYKO-ZDUSSCGKSA-N -1 1 375.516 1.616 20 10 GDCDMM Cc1cc(C2=NC(=CC3=S=CC(c4nn[n-]n4)=C3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000822198970 945986189 /nfs/dbraw/zinc/98/61/89/945986189.db2.gz QNITXBPSBXIDJY-WUXMJOGZSA-N -1 1 382.361 1.409 20 10 GDCDMM CC[C@H](CNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)C(=O)[O-] ZINC001340462753 957917824 /nfs/dbraw/zinc/91/78/24/957917824.db2.gz OIGLBISKLRLGII-MRXNPFEDSA-N -1 1 392.500 1.617 20 10 GDCDMM CC(=O)NCC[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@H](C)C(=O)[O-] ZINC001588513218 958765140 /nfs/dbraw/zinc/76/51/40/958765140.db2.gz JRCIGZGWWSYDSU-MRVPVSSYSA-N -1 1 377.210 1.705 20 10 GDCDMM CN(C)c1ccc([C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)N(C)C)cc1 ZINC001598314422 991296685 /nfs/dbraw/zinc/29/66/85/991296685.db2.gz RTPAMHNHLTVELJ-MRXNPFEDSA-N -1 1 380.470 1.360 20 10 GDCDMM CN(C)C(=O)Cn1cnc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000278034169 531328764 /nfs/dbraw/zinc/32/87/64/531328764.db2.gz LSIHTLXLILQYDJ-UHFFFAOYSA-N -1 1 397.233 1.156 20 10 GDCDMM NC(=O)c1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000822884881 599312184 /nfs/dbraw/zinc/31/21/84/599312184.db2.gz CNXVMRSVBXEJEZ-KPKJPENVSA-N -1 1 398.429 1.964 20 10 GDCDMM NC(=O)c1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1 ZINC000822884881 599312187 /nfs/dbraw/zinc/31/21/87/599312187.db2.gz CNXVMRSVBXEJEZ-KPKJPENVSA-N -1 1 398.429 1.964 20 10 GDCDMM COc1ccc(N2CCN(C(=O)CN3CC[C@H](NC(=O)[O-])[C@@H](C)C3)CC2)cc1 ZINC000739911008 603415472 /nfs/dbraw/zinc/41/54/72/603415472.db2.gz UYRWWGLEMDMLPD-YJBOKZPZSA-N -1 1 390.484 1.322 20 10 GDCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cnn(C)c2C)c(F)c1 ZINC000830150971 654931650 /nfs/dbraw/zinc/93/16/50/654931650.db2.gz QDYQTUUYWWGWCH-UHFFFAOYSA-N -1 1 390.462 1.820 20 10 GDCDMM CNS(=O)(=O)c1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765757557 655248789 /nfs/dbraw/zinc/24/87/89/655248789.db2.gz QHRRKBGVBYFFBP-UHFFFAOYSA-N -1 1 399.266 1.993 20 10 GDCDMM CC(C)(C)n1nnc(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000847420962 655469228 /nfs/dbraw/zinc/46/92/28/655469228.db2.gz ZLFCPSNEJMBWQA-UHFFFAOYSA-N -1 1 383.250 1.896 20 10 GDCDMM CCOC(=O)Cn1cnc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000824449364 655475550 /nfs/dbraw/zinc/47/55/50/655475550.db2.gz RYXLZBDKMCRHQV-UHFFFAOYSA-N -1 1 398.217 1.631 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@H]2CNS(C)(=O)=O)c1 ZINC000877672928 656687368 /nfs/dbraw/zinc/68/73/68/656687368.db2.gz APVQIFUTCUPTEK-GFCCVEGCSA-N -1 1 393.303 1.213 20 10 GDCDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821610930 945744140 /nfs/dbraw/zinc/74/41/40/945744140.db2.gz KOQPYMYXSKDHMP-UHFFFAOYSA-N -1 1 397.443 1.101 20 10 GDCDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821610930 945744145 /nfs/dbraw/zinc/74/41/45/945744145.db2.gz KOQPYMYXSKDHMP-UHFFFAOYSA-N -1 1 397.443 1.101 20 10 GDCDMM O=C([O-])C1CCN(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC001594939343 954868768 /nfs/dbraw/zinc/86/87/68/954868768.db2.gz PXEMFMRVBCTGOF-UHFFFAOYSA-N -1 1 383.253 1.830 20 10 GDCDMM COc1ccc(N2CCN(C[C@H](O)COc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC001599585408 993606428 /nfs/dbraw/zinc/60/64/28/993606428.db2.gz QLSUVCFIYFLBCY-SFHVURJKSA-N -1 1 386.448 1.955 20 10 GDCDMM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000376612952 532222095 /nfs/dbraw/zinc/22/20/95/532222095.db2.gz XSMIEUONYYWNHB-SMDDNHRTSA-N -1 1 389.905 1.064 20 10 GDCDMM COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000275817514 532311024 /nfs/dbraw/zinc/31/10/24/532311024.db2.gz JFLDRVUTCXMFJU-ZDUSSCGKSA-N -1 1 375.830 1.020 20 10 GDCDMM CC(C)S(=O)(=O)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000289347894 532321889 /nfs/dbraw/zinc/32/18/89/532321889.db2.gz GHPFRRLODYKZMO-UHFFFAOYSA-N -1 1 379.276 1.777 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000825942012 601813527 /nfs/dbraw/zinc/81/35/27/601813527.db2.gz IYLJARZBHNDDHJ-UGSOOPFHSA-N -1 1 376.453 1.580 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000825942365 601888133 /nfs/dbraw/zinc/88/81/33/601888133.db2.gz UMGZAHQJTABIKE-HXUWFJFHSA-N -1 1 376.453 1.724 20 10 GDCDMM CN(C)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000825879411 607601767 /nfs/dbraw/zinc/60/17/67/607601767.db2.gz MPEZOGUUXOUGNC-UHFFFAOYSA-N -1 1 394.407 1.689 20 10 GDCDMM CN(C)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000825879411 607601770 /nfs/dbraw/zinc/60/17/70/607601770.db2.gz MPEZOGUUXOUGNC-UHFFFAOYSA-N -1 1 394.407 1.689 20 10 GDCDMM CSc1[nH]c(=O)c(C(=O)NCCc2ccc(O)c(O)c2)cc1-c1nn[n-]n1 ZINC000826229662 608078838 /nfs/dbraw/zinc/07/88/38/608078838.db2.gz MPAJEIRQSXFHCM-UHFFFAOYSA-N -1 1 388.409 1.073 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)C(=O)NC(C)C)CC2)c1 ZINC000781895167 654819766 /nfs/dbraw/zinc/81/97/66/654819766.db2.gz PBPVVERBPPXOHP-UHFFFAOYSA-N -1 1 398.301 1.632 20 10 GDCDMM Cn1c(NCc2cccc(Br)c2[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000764935469 655225496 /nfs/dbraw/zinc/22/54/96/655225496.db2.gz UVPBFFLZHZGIPW-UHFFFAOYSA-N -1 1 380.202 1.453 20 10 GDCDMM NS(=O)(=O)c1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765769244 655249301 /nfs/dbraw/zinc/24/93/01/655249301.db2.gz KTTORZFLHKSDCK-UHFFFAOYSA-N -1 1 399.266 1.661 20 10 GDCDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000767736612 655303085 /nfs/dbraw/zinc/30/30/85/655303085.db2.gz LGDLMAJMYQINCZ-UHFFFAOYSA-N -1 1 386.451 1.876 20 10 GDCDMM O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1cccc(Br)c1O ZINC000867194614 656010431 /nfs/dbraw/zinc/01/04/31/656010431.db2.gz AHYHOVDPNSXHHM-UHFFFAOYSA-N -1 1 383.289 1.751 20 10 GDCDMM COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)N=S3(=O)CCCC3)C2)cc1 ZINC000867429100 656059577 /nfs/dbraw/zinc/05/95/77/656059577.db2.gz VKADNIUEQIJUNZ-CQSZACIVSA-N -1 1 387.527 1.618 20 10 GDCDMM CCOC(=O)Cn1cc(C=C2SC(=S)[N-]C2=O)c(-c2cnn(C)c2)n1 ZINC000901416423 659213735 /nfs/dbraw/zinc/21/37/35/659213735.db2.gz HKHFCWUBNPSUIH-NYYWCZLTSA-N -1 1 377.451 1.336 20 10 GDCDMM CCOC(=O)Cn1cc(C=C2SC(=S)[N-]C2=O)c(-c2cnn(C)c2)n1 ZINC000901416426 659213777 /nfs/dbraw/zinc/21/37/77/659213777.db2.gz HKHFCWUBNPSUIH-WCIBSUBMSA-N -1 1 377.451 1.336 20 10 GDCDMM CN1CCN(c2ccc(CNS(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC001260229907 960717358 /nfs/dbraw/zinc/71/73/58/960717358.db2.gz RDRFWSVZELTIPB-UHFFFAOYSA-N -1 1 389.477 1.615 20 10 GDCDMM COC[C@@]1(C(=O)[O-])CN(Cc2cc(Br)cc(F)c2O)CCO1 ZINC001604564642 973625439 /nfs/dbraw/zinc/62/54/39/973625439.db2.gz MPVPVEHCYCZYLY-CQSZACIVSA-N -1 1 378.194 1.596 20 10 GDCDMM O=C([O-])COCCOCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001606284654 973669775 /nfs/dbraw/zinc/66/97/75/973669775.db2.gz HFOFWZUNLJTKDK-UHFFFAOYSA-N -1 1 381.212 1.616 20 10 GDCDMM COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000779459561 978784036 /nfs/dbraw/zinc/78/40/36/978784036.db2.gz CABBHDPIDQUYIH-UHFFFAOYSA-N -1 1 381.362 1.443 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)cc2F)CC1 ZINC000874392530 980175384 /nfs/dbraw/zinc/17/53/84/980175384.db2.gz ZUSDGXNEWQXJOK-SHTZXODSSA-N -1 1 378.448 1.630 20 10 GDCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCC(=O)NCC(=O)[O-])C1 ZINC001591634895 992942449 /nfs/dbraw/zinc/94/24/49/992942449.db2.gz FSKWILPCLWKJPR-UHFFFAOYSA-N -1 1 387.436 1.152 20 10 GDCDMM CSCC[C@@H](NC(N)=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000277464183 531284757 /nfs/dbraw/zinc/28/47/57/531284757.db2.gz HITKCIVPQZMEHE-SNVBAGLBSA-N -1 1 376.276 1.561 20 10 GDCDMM O=C(C[C@H]1CCCS(=O)(=O)C1)NCc1cccc(Br)c1[O-] ZINC000295374749 531569291 /nfs/dbraw/zinc/56/92/91/531569291.db2.gz ORIGZASDSJMGCX-SNVBAGLBSA-N -1 1 376.272 1.986 20 10 GDCDMM CSc1[nH]c(=O)c(C(=O)NCc2ccc(N(C)C)cc2C)cc1-c1nn[n-]n1 ZINC000737186958 599109289 /nfs/dbraw/zinc/10/92/89/599109289.db2.gz MLFFLUXSSMRLPD-UHFFFAOYSA-N -1 1 399.480 1.994 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000736185033 600715974 /nfs/dbraw/zinc/71/59/74/600715974.db2.gz BAXZWZYSOFJQTJ-HNNXBMFYSA-N -1 1 376.453 1.724 20 10 GDCDMM CN(CC(=O)N1CCC(C(=O)[O-])CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000737386046 600934427 /nfs/dbraw/zinc/93/44/27/600934427.db2.gz YOTKZOZJXVQUCN-UHFFFAOYSA-N -1 1 375.469 1.278 20 10 GDCDMM O=C([O-])NCCOCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000832662426 605294853 /nfs/dbraw/zinc/29/48/53/605294853.db2.gz JTRIGXJYLUSRGS-CQSZACIVSA-N -1 1 385.848 1.410 20 10 GDCDMM CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821589208 606840424 /nfs/dbraw/zinc/84/04/24/606840424.db2.gz CIXRSEDKPCKCRO-UHFFFAOYSA-N -1 1 390.444 1.893 20 10 GDCDMM O=C([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)ccc1O ZINC000823387696 606866867 /nfs/dbraw/zinc/86/68/67/606866867.db2.gz UVJCTXSQIGEBAA-UHFFFAOYSA-N -1 1 395.784 1.725 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC000781903076 654819880 /nfs/dbraw/zinc/81/98/80/654819880.db2.gz XOMBVSLYDCODIZ-UHFFFAOYSA-N -1 1 396.285 1.386 20 10 GDCDMM NS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1Cl ZINC000783372097 654858902 /nfs/dbraw/zinc/85/89/02/654858902.db2.gz AFGTYAQXFHFPJE-UHFFFAOYSA-N -1 1 385.781 1.438 20 10 GDCDMM CNC(=O)Cn1cc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765325463 655238124 /nfs/dbraw/zinc/23/81/24/655238124.db2.gz CHEGTVRGHDRBDT-UHFFFAOYSA-N -1 1 382.218 1.419 20 10 GDCDMM O=C(CCc1nc(-c2nc[nH]n2)no1)NCc1cccc(Br)c1[O-] ZINC000765733179 655247725 /nfs/dbraw/zinc/24/77/25/655247725.db2.gz UXMJXFUNXLFLTM-UHFFFAOYSA-N -1 1 393.201 1.572 20 10 GDCDMM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCc1cccc(Br)c1[O-] ZINC000816495806 655327652 /nfs/dbraw/zinc/32/76/52/655327652.db2.gz KGTHZZLKSNAZSA-TXEJJXNPSA-N -1 1 393.237 1.722 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCc2nnnn2CC1 ZINC000817810381 655359314 /nfs/dbraw/zinc/35/93/14/655359314.db2.gz XEWIWWIBCNXRGB-SNVBAGLBSA-N -1 1 381.234 1.346 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000847468011 655469921 /nfs/dbraw/zinc/46/99/21/655469921.db2.gz PSCAAZKZYMKTEF-LLVKDONJSA-N -1 1 384.230 1.937 20 10 GDCDMM C[C@H](C(=O)NCCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573705925 948409200 /nfs/dbraw/zinc/40/92/00/948409200.db2.gz HLZDKCJZSHGKPV-ZDUSSCGKSA-N -1 1 382.472 1.736 20 10 GDCDMM C[C@H](C(=O)NCCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573705925 948409206 /nfs/dbraw/zinc/40/92/06/948409206.db2.gz HLZDKCJZSHGKPV-ZDUSSCGKSA-N -1 1 382.472 1.736 20 10 GDCDMM O=C([O-])c1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)[n-]n1 ZINC001594732652 957052756 /nfs/dbraw/zinc/05/27/56/957052756.db2.gz UHOAOHRFTZNXMI-LBPRGKRZSA-N -1 1 378.816 1.861 20 10 GDCDMM CNS(=O)(=O)C1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC1 ZINC001598669666 994733372 /nfs/dbraw/zinc/73/33/72/994733372.db2.gz PPYWPZPKRPLFKQ-UHFFFAOYSA-N -1 1 383.445 1.529 20 10 GDCDMM COc1ccc(N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000737099655 598995831 /nfs/dbraw/zinc/99/58/31/598995831.db2.gz OTQMNGWICXSNFN-UHFFFAOYSA-N -1 1 379.424 1.623 20 10 GDCDMM COc1ccc(N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000737099655 598995832 /nfs/dbraw/zinc/99/58/32/598995832.db2.gz OTQMNGWICXSNFN-UHFFFAOYSA-N -1 1 379.424 1.623 20 10 GDCDMM NC(=O)c1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000822884880 599311928 /nfs/dbraw/zinc/31/19/28/599311928.db2.gz CNXVMRSVBXEJEZ-GHXNOFRVSA-N -1 1 398.429 1.964 20 10 GDCDMM NC(=O)c1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1 ZINC000822884880 599311932 /nfs/dbraw/zinc/31/19/32/599311932.db2.gz CNXVMRSVBXEJEZ-GHXNOFRVSA-N -1 1 398.429 1.964 20 10 GDCDMM CN(C)C(=O)CCN1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830547252 602138874 /nfs/dbraw/zinc/13/88/74/602138874.db2.gz KTDKHSFDRRADLI-XQRVVYSFSA-N -1 1 376.413 1.293 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCN(C(=O)[O-])C[C@H]2C)c1 ZINC000738585518 602860008 /nfs/dbraw/zinc/86/00/08/602860008.db2.gz JJTRORYRXGENHK-CQSZACIVSA-N -1 1 391.468 1.611 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCN(C(=O)[O-])C[C@H]2C)c1 ZINC000738585518 602860012 /nfs/dbraw/zinc/86/00/12/602860012.db2.gz JJTRORYRXGENHK-CQSZACIVSA-N -1 1 391.468 1.611 20 10 GDCDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCc1ccc(O)c(O)c1 ZINC000822542471 606183390 /nfs/dbraw/zinc/18/33/90/606183390.db2.gz XXJXBHYUABXDJM-UHFFFAOYSA-N -1 1 394.391 1.943 20 10 GDCDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCc1ccc(O)c(O)c1 ZINC000822542471 606183392 /nfs/dbraw/zinc/18/33/92/606183392.db2.gz XXJXBHYUABXDJM-UHFFFAOYSA-N -1 1 394.391 1.943 20 10 GDCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1ccccc1S(=O)(=O)NC1CC1 ZINC000780397541 654783738 /nfs/dbraw/zinc/78/37/38/654783738.db2.gz MTBVTCWAIZTKCO-UHFFFAOYSA-N -1 1 386.426 1.773 20 10 GDCDMM COCCNC(=O)c1cc(NCc2cccc(Br)c2[O-])ccn1 ZINC000865728943 655925122 /nfs/dbraw/zinc/92/51/22/655925122.db2.gz BQPDAAMEJLICDL-UHFFFAOYSA-N -1 1 380.242 1.960 20 10 GDCDMM O=C(NCC[C@H]1CCCS1(=O)=O)NCc1cccc(Br)c1[O-] ZINC000889818884 658059167 /nfs/dbraw/zinc/05/91/67/658059167.db2.gz IVYDAGRPCRLVCO-LLVKDONJSA-N -1 1 391.287 1.921 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)cc2F)CC1 ZINC001596439131 984129523 /nfs/dbraw/zinc/12/95/23/984129523.db2.gz WRVFAFONOUVHHI-HWWDLCQESA-N -1 1 390.459 1.440 20 10 GDCDMM O=C(NCCC(=O)N1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000277432986 531281233 /nfs/dbraw/zinc/28/12/33/531281233.db2.gz MBUQXJJODIVPLY-UHFFFAOYSA-N -1 1 386.246 1.203 20 10 GDCDMM C[C@@H](CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])[NH+](C)C ZINC000267492075 531428964 /nfs/dbraw/zinc/42/89/64/531428964.db2.gz GGVJYLZRESSOOC-NSHDSACASA-N -1 1 383.495 1.934 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])C(F)(F)C(=O)N1CCOCC1 ZINC000297432883 531791079 /nfs/dbraw/zinc/79/10/79/531791079.db2.gz KQBUOMDMGMUHAE-UHFFFAOYSA-N -1 1 393.184 1.265 20 10 GDCDMM CCS(=O)(=O)NCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000367176519 531817832 /nfs/dbraw/zinc/81/78/32/531817832.db2.gz MCKSQJVUJLDYAA-CQSZACIVSA-N -1 1 389.905 1.066 20 10 GDCDMM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000376612951 532221651 /nfs/dbraw/zinc/22/16/51/532221651.db2.gz XSMIEUONYYWNHB-RISCZKNCSA-N -1 1 389.905 1.064 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000825942373 601371522 /nfs/dbraw/zinc/37/15/22/601371522.db2.gz VTLAEOAHXWXIGG-IBGZPJMESA-N -1 1 380.416 1.426 20 10 GDCDMM COc1ccc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1 ZINC000821831770 607161122 /nfs/dbraw/zinc/16/11/22/607161122.db2.gz MARFAUQPHPWWKT-UHFFFAOYSA-N -1 1 382.384 1.505 20 10 GDCDMM COc1ccc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000821831770 607161123 /nfs/dbraw/zinc/16/11/23/607161123.db2.gz 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CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]([C@@H](C)NC(=O)[O-])C1)cc2=O ZINC000827354507 604226466 /nfs/dbraw/zinc/22/64/66/604226466.db2.gz BXUIJSXZXFTVSY-NEPJUHHUSA-N -1 1 391.428 1.480 20 10 GDCDMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000023398276 644270330 /nfs/dbraw/zinc/27/03/30/644270330.db2.gz PKGNNWLOJLKWDC-UHFFFAOYSA-N -1 1 383.451 1.219 20 10 GDCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 ZINC000794596151 655148418 /nfs/dbraw/zinc/14/84/18/655148418.db2.gz XRYHSKRFSFSZDN-UHFFFAOYSA-N -1 1 384.479 1.972 20 10 GDCDMM CCC1CCN(S(=O)(=O)Nc2ccc([O-])c(S(=O)(=O)NC)c2)CC1 ZINC000849309409 655521816 /nfs/dbraw/zinc/52/18/16/655521816.db2.gz GZOYDCASYVVJKP-UHFFFAOYSA-N -1 1 377.488 1.079 20 10 GDCDMM O=C(Cn1cc(NCc2cc(Br)cc(F)c2[O-])cn1)NCCO ZINC000883080117 657267869 /nfs/dbraw/zinc/26/78/69/657267869.db2.gz QMOVVDLBRKVANV-UHFFFAOYSA-N -1 1 387.209 1.211 20 10 GDCDMM CCOC(=O)C1CCN(S(=O)(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000908327446 659898506 /nfs/dbraw/zinc/89/85/06/659898506.db2.gz DEDAMDZTMIFOIL-UHFFFAOYSA-N -1 1 376.862 1.655 20 10 GDCDMM O=C([O-])/C=C\c1ccc(N2CCC(O)(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000844213175 979371632 /nfs/dbraw/zinc/37/16/32/979371632.db2.gz GRCIYQIOQHNBEL-RQOWECAXSA-N -1 1 391.424 1.356 20 10 GDCDMM CC(C)NS(=O)(=O)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277414064 531279889 /nfs/dbraw/zinc/27/98/89/531279889.db2.gz KQGLWNIXIFSTTN-UHFFFAOYSA-N -1 1 394.291 1.282 20 10 GDCDMM CS(=O)(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000269440362 531671355 /nfs/dbraw/zinc/67/13/55/531671355.db2.gz FKTGXWKEZTVKSE-JTQLQIEISA-N -1 1 377.850 1.715 20 10 GDCDMM COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000275817510 532310877 /nfs/dbraw/zinc/31/08/77/532310877.db2.gz JFLDRVUTCXMFJU-CYBMUJFWSA-N -1 1 375.830 1.020 20 10 GDCDMM CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736772978 598266749 /nfs/dbraw/zinc/26/67/49/598266749.db2.gz IVHQZZOVGMLMPP-UHFFFAOYSA-N -1 1 399.480 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Cc1cc(Br)c([O-])c(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC000781920469 654820438 /nfs/dbraw/zinc/82/04/38/654820438.db2.gz JUDCVZLOIVWMOU-NSHDSACASA-N -1 1 377.304 1.929 20 10 GDCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]nc2C)c(F)c1 ZINC000830150236 654931382 /nfs/dbraw/zinc/93/13/82/654931382.db2.gz HGANTWXMYQYFPS-UHFFFAOYSA-N -1 1 376.435 1.810 20 10 GDCDMM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000764798431 655223503 /nfs/dbraw/zinc/22/35/03/655223503.db2.gz SBSWSZVOBAVNBU-CDMKHQONSA-N -1 1 382.258 1.963 20 10 GDCDMM COc1ncccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765926646 655252708 /nfs/dbraw/zinc/25/27/08/655252708.db2.gz OMNBFTOUULLQMR-UHFFFAOYSA-N -1 1 380.198 1.813 20 10 GDCDMM Cn1nc(Br)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000816710739 655332587 /nfs/dbraw/zinc/33/25/87/655332587.db2.gz CLAOWCJBIDWRPP-UHFFFAOYSA-N -1 1 389.231 1.512 20 10 GDCDMM CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000866886391 655973597 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399.491 1.844 20 10 GDCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])C1 ZINC001591636108 992948822 /nfs/dbraw/zinc/94/88/22/992948822.db2.gz ZZPXJDUDTXQXDG-PZJWPPBQSA-N -1 1 399.491 1.844 20 10 GDCDMM CCS(=O)(=O)NCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277381301 531278045 /nfs/dbraw/zinc/27/80/45/531278045.db2.gz IGOAVSSVPCFNNA-UHFFFAOYSA-N -1 1 394.291 1.283 20 10 GDCDMM COCCN(CCOC)S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000277449391 531283369 /nfs/dbraw/zinc/28/33/69/531283369.db2.gz GHFZYAYCVKYAPC-UHFFFAOYSA-N -1 1 397.291 1.084 20 10 GDCDMM COC(=O)CC1(CS(=O)(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277457051 531284830 /nfs/dbraw/zinc/28/48/30/531284830.db2.gz HIOHZDNMUGIHNQ-UHFFFAOYSA-N -1 1 392.271 1.917 20 10 GDCDMM C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000291830520 531316606 /nfs/dbraw/zinc/31/66/06/531316606.db2.gz MVXFHANYYONJSU-GZMMTYOYSA-N -1 1 377.260 1.387 20 10 GDCDMM Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737269638 599085382 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C=C/C(C)=C\CC(=O)NCCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573318120 947302687 /nfs/dbraw/zinc/30/26/87/947302687.db2.gz QIDMODXTLOPZSI-CPSFFCFKSA-N -1 1 380.456 1.822 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000874382625 956122135 /nfs/dbraw/zinc/12/21/35/956122135.db2.gz IASREUUQFKQICY-WKILWMFISA-N -1 1 390.484 1.370 20 10 GDCDMM CN1CCN(c2ccc(CNC(=O)NCC3(C(=O)[O-])CCOCC3)cc2)CC1 ZINC001332365108 957756936 /nfs/dbraw/zinc/75/69/36/957756936.db2.gz SHMONULIWJSQAE-UHFFFAOYSA-N -1 1 390.484 1.119 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001350798587 962596376 /nfs/dbraw/zinc/59/63/76/962596376.db2.gz WXHCXNDYZISEIX-UHFFFAOYSA-N -1 1 387.436 1.929 20 10 GDCDMM COc1cc(Br)cc(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1O ZINC001599346604 998018519 /nfs/dbraw/zinc/01/85/19/998018519.db2.gz LOGOUEGKNZOGRU-NSHDSACASA-N -1 1 397.229 1.900 20 10 GDCDMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)c1 ZINC001598966297 998426940 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1.015 20 10 GDCDMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)c(F)c2)c1Cl ZINC000056109962 644478820 /nfs/dbraw/zinc/47/88/20/644478820.db2.gz XBSINZCSFJBDTR-UHFFFAOYSA-N -1 1 388.852 1.528 20 10 GDCDMM COCCN1C(=O)C(=CNc2ccc([N+](=O)[O-])cc2Cl)C(=O)[N-]C1=S ZINC000920976115 660279433 /nfs/dbraw/zinc/27/94/33/660279433.db2.gz IPKWYOZPUKTBAU-VQHVLOKHSA-N -1 1 384.801 1.434 20 10 GDCDMM O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1nnn[n-]1 ZINC000736156236 654587583 /nfs/dbraw/zinc/58/75/83/654587583.db2.gz KFJZNRSUSQNYLB-CLFYSBASSA-N -1 1 380.480 1.881 20 10 GDCDMM O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1nn[n-]n1 ZINC000736156236 654587586 /nfs/dbraw/zinc/58/75/86/654587586.db2.gz KFJZNRSUSQNYLB-CLFYSBASSA-N -1 1 380.480 1.881 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCN(CC[S@@](C)=O)CC2)c1 ZINC000781912533 654820411 /nfs/dbraw/zinc/82/04/11/654820411.db2.gz QJYFOSGCFRFHKW-OAQYLSRUSA-N -1 1 375.332 1.959 20 10 GDCDMM Cn1c(=O)n2c(c1C(=O)NCc1cccc(Br)c1[O-])CCCC2 ZINC000830528859 654948317 /nfs/dbraw/zinc/94/83/17/654948317.db2.gz BNBMNYWBPBMTKH-UHFFFAOYSA-N -1 1 380.242 1.921 20 10 GDCDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2COC)cc1 ZINC000797431782 655242389 /nfs/dbraw/zinc/24/23/89/655242389.db2.gz YKVZWYQBTIQYQY-UHFFFAOYSA-N -1 1 385.467 1.510 20 10 GDCDMM CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765732838 655247753 /nfs/dbraw/zinc/24/77/53/655247753.db2.gz SYGWVSIAQIWKSX-NSHDSACASA-N -1 1 377.260 1.195 20 10 GDCDMM COc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])ncn1 ZINC000765904380 655252136 /nfs/dbraw/zinc/25/21/36/655252136.db2.gz SLHCTVFYVFDOIS-UHFFFAOYSA-N -1 1 381.186 1.208 20 10 GDCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])nnn1-c1ccn(C)n1 ZINC000816496022 655327761 /nfs/dbraw/zinc/32/77/61/655327761.db2.gz SREABCFTRRFCNC-UHFFFAOYSA-N -1 1 391.229 1.707 20 10 GDCDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=NS(C)(=O)=O)CC2)c1[O-] ZINC000846915443 655462326 /nfs/dbraw/zinc/46/23/26/655462326.db2.gz NTJGYXILFODLQD-UHFFFAOYSA-N -1 1 394.902 1.491 20 10 GDCDMM CON(C)C(=O)[C@H](CCSC)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893725043 658439251 /nfs/dbraw/zinc/43/92/51/658439251.db2.gz ZQVYVJZNSGXRRN-LBPRGKRZSA-N -1 1 375.878 1.986 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)[C@@H](C(=O)[O-])C3CC3)CC2)cc1 ZINC000852952984 939241355 /nfs/dbraw/zinc/24/13/55/939241355.db2.gz YXJAPQLLUUELRC-SFHVURJKSA-N -1 1 375.469 1.434 20 10 GDCDMM C[C@@H](CC(=O)NCCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001574503704 950416843 /nfs/dbraw/zinc/41/68/43/950416843.db2.gz YUJIQNGIHAMPKW-ZDUSSCGKSA-N -1 1 382.472 1.736 20 10 GDCDMM C[C@@H](CC(=O)NCCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001574503704 950416857 /nfs/dbraw/zinc/41/68/57/950416857.db2.gz YUJIQNGIHAMPKW-ZDUSSCGKSA-N -1 1 382.472 1.736 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)cc2F)CC1 ZINC000874392529 956144693 /nfs/dbraw/zinc/14/46/93/956144693.db2.gz ZUSDGXNEWQXJOK-GASCZTMLSA-N -1 1 378.448 1.630 20 10 GDCDMM CSCC[C@H](NC(N)=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000277464182 531284855 /nfs/dbraw/zinc/28/48/55/531284855.db2.gz HITKCIVPQZMEHE-JTQLQIEISA-N -1 1 376.276 1.561 20 10 GDCDMM CCCCS(=O)(=O)Cc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000277884868 531318674 /nfs/dbraw/zinc/31/86/74/531318674.db2.gz GTGJDWIWSPHKAI-UHFFFAOYSA-N -1 1 389.455 1.529 20 10 GDCDMM COC(=O)C1(NCc2cc(Cl)cc(C(C)=O)c2[O-])CCS(=O)(=O)CC1 ZINC000269329390 531645897 /nfs/dbraw/zinc/64/58/97/531645897.db2.gz RABNFDMWZRAKNX-UHFFFAOYSA-N -1 1 389.857 1.458 20 10 GDCDMM COc1ccc(N2CCCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cc1 ZINC000821831849 606168757 /nfs/dbraw/zinc/16/87/57/606168757.db2.gz PFKSGNIKPJRARA-UHFFFAOYSA-N -1 1 397.443 1.353 20 10 GDCDMM COc1ccc(N2CCCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cc1 ZINC000821831849 606168758 /nfs/dbraw/zinc/16/87/58/606168758.db2.gz PFKSGNIKPJRARA-UHFFFAOYSA-N -1 1 397.443 1.353 20 10 GDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nnc(C(F)(F)F)s2)c1 ZINC000115732764 644643722 /nfs/dbraw/zinc/64/37/22/644643722.db2.gz YSBOGOQVWJOVTM-UHFFFAOYSA-N -1 1 382.345 1.886 20 10 GDCDMM NS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1Cl ZINC000916590476 660196051 /nfs/dbraw/zinc/19/60/51/660196051.db2.gz DSNIWHPAJRAMEQ-UHFFFAOYSA-N -1 1 385.781 1.438 20 10 GDCDMM CN1CCN(c2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)cc2)CC1 ZINC000771520333 654539375 /nfs/dbraw/zinc/53/93/75/654539375.db2.gz MKRUBSFSVJDHRZ-UVTDQMKNSA-N -1 1 377.491 1.724 20 10 GDCDMM CCS(=O)(=O)N1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781898282 654819779 /nfs/dbraw/zinc/81/97/79/654819779.db2.gz WRZCNTGLTVATIH-UHFFFAOYSA-N -1 1 377.304 1.930 20 10 GDCDMM CCn1nc(C)cc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000861840971 655831756 /nfs/dbraw/zinc/83/17/56/655831756.db2.gz NOBYVAFTBGZVOV-UHFFFAOYSA-N -1 1 381.230 1.934 20 10 GDCDMM CN(C)S(=O)(=O)N1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862370657 655845320 /nfs/dbraw/zinc/84/53/20/655845320.db2.gz PSNMOFUTIMOBCZ-UHFFFAOYSA-N -1 1 392.319 1.469 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@@H]2CNS(C)(=O)=O)c1 ZINC000877672930 656687245 /nfs/dbraw/zinc/68/72/45/656687245.db2.gz APVQIFUTCUPTEK-LBPRGKRZSA-N -1 1 393.303 1.213 20 10 GDCDMM COC[C@]1(C(=O)[O-])CN(Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC001593983890 956739487 /nfs/dbraw/zinc/73/94/87/956739487.db2.gz LTEMXZPNFPSJLT-FQEVSTJZSA-N -1 1 378.469 1.604 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)c3cc(C(=O)[O-])co3)CC2)cc1 ZINC000911123516 982249368 /nfs/dbraw/zinc/24/93/68/982249368.db2.gz IQHLXQNPFPBIJU-UHFFFAOYSA-N -1 1 387.436 1.929 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N3CC[C@H](C(=O)[O-])C3)cc2F)CC1 ZINC000737123620 600032164 /nfs/dbraw/zinc/03/21/64/600032164.db2.gz YMJDBQBGNHCWEU-HNNXBMFYSA-N -1 1 378.448 1.584 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCc3ccccc3[C@@H]1C(=O)[O-])cc2=O ZINC000829889492 601548302 /nfs/dbraw/zinc/54/83/02/601548302.db2.gz BRUFRGJHSKEAIW-QGZVFWFLSA-N -1 1 396.403 1.796 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)[C@@H](NC(=O)[O-])C(C)C)cc2F)CC1 ZINC000737117040 602752843 /nfs/dbraw/zinc/75/28/43/602752843.db2.gz UHPXZXQSHCTKGM-KRWDZBQOSA-N -1 1 380.464 1.876 20 10 GDCDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000916106488 660185504 /nfs/dbraw/zinc/18/55/04/660185504.db2.gz QPTWRSUXURSNJA-UHFFFAOYSA-N -1 1 382.463 1.978 20 10 GDCDMM COCCN1C(=O)C(=CNc2ccc(C)cc2Br)C(=O)[N-]C1=S ZINC000920976154 660279454 /nfs/dbraw/zinc/27/94/54/660279454.db2.gz JWZNFJVNZPYLDO-CSKARUKUSA-N -1 1 398.282 1.943 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCCCS1(=O)=O ZINC000764807756 655223678 /nfs/dbraw/zinc/22/36/78/655223678.db2.gz VDGIWBASZVBIKV-LLVKDONJSA-N -1 1 391.287 1.921 20 10 GDCDMM CCS(=O)(=O)C1(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000852649424 655619382 /nfs/dbraw/zinc/61/93/82/655619382.db2.gz KYJLJGCFGDWYPY-UHFFFAOYSA-N -1 1 391.287 1.921 20 10 GDCDMM COC(=O)c1ncoc1COCC(=O)NCc1cccc(Br)c1[O-] ZINC000861332647 655819490 /nfs/dbraw/zinc/81/94/90/655819490.db2.gz MFVOBLOSLHAXJB-UHFFFAOYSA-N -1 1 399.197 1.762 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000883931968 657316506 /nfs/dbraw/zinc/31/65/06/657316506.db2.gz NVMKDNZZOVVJSQ-LBPRGKRZSA-N -1 1 382.258 1.965 20 10 GDCDMM COC(=O)[C@@H]1CCCN(CC(=O)NCc2cccc(Br)c2[O-])C1=O ZINC000935663006 657463892 /nfs/dbraw/zinc/46/38/92/657463892.db2.gz NHXNXTVOZGUOFI-LLVKDONJSA-N -1 1 399.241 1.183 20 10 GDCDMM Cc1onc(CC(=O)NCc2ccc(N3CCSCC3)cc2)c1-c1nnn[n-]1 ZINC000826348039 948065918 /nfs/dbraw/zinc/06/59/18/948065918.db2.gz QUMMEVYYYFPYPJ-UHFFFAOYSA-N -1 1 399.480 1.575 20 10 GDCDMM Cc1onc(CC(=O)NCc2ccc(N3CCSCC3)cc2)c1-c1nn[n-]n1 ZINC000826348039 948065924 /nfs/dbraw/zinc/06/59/24/948065924.db2.gz QUMMEVYYYFPYPJ-UHFFFAOYSA-N -1 1 399.480 1.575 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])cc2F)CC1 ZINC001596438585 984127975 /nfs/dbraw/zinc/12/79/75/984127975.db2.gz LONFUNNPLARPGE-GJZGRUSLSA-N -1 1 378.448 1.488 20 10 GDCDMM COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3cc(C(=O)[O-])no3)C2)cc1 ZINC001599586476 993619902 /nfs/dbraw/zinc/61/99/02/993619902.db2.gz QWAYIDSDKCYRQS-NSHDSACASA-N -1 1 381.410 1.186 20 10 GDCDMM COc1cc(N2CCN(C[C@@H]3[C@H](C(=O)[O-])C3(F)F)CC2)cc(OC)c1OC ZINC001599427386 997699884 /nfs/dbraw/zinc/69/98/84/997699884.db2.gz PKXNJVKIBWXAJP-IUODEOHRSA-N -1 1 386.395 1.800 20 10 GDCDMM CS(=O)(=O)CC1(CC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277635688 531298785 /nfs/dbraw/zinc/29/87/85/531298785.db2.gz XNDSXFCXDXLMPJ-UHFFFAOYSA-N -1 1 376.272 1.986 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCCS(=O)(=O)C1 ZINC000286904116 532184714 /nfs/dbraw/zinc/18/47/14/532184714.db2.gz JTISMEAOAIXEHE-JTQLQIEISA-N -1 1 391.287 1.779 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)[C@H](NC(=O)[O-])C(C)C)CC2)cc1 ZINC000738022819 599840839 /nfs/dbraw/zinc/84/08/39/599840839.db2.gz OFFBAWMKIIXESO-GOSISDBHSA-N -1 1 392.500 1.616 20 10 GDCDMM C[C@@H]1CN(c2ccc(CNC(=O)CNC(C)(C)C(=O)[O-])cc2F)C[C@@H](C)O1 ZINC000736827936 599923591 /nfs/dbraw/zinc/92/35/91/599923591.db2.gz VVFQYGDMRATTSG-CHWSQXEVSA-N -1 1 381.448 1.508 20 10 GDCDMM CN(Cc1ccccc1O)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825980483 608342449 /nfs/dbraw/zinc/34/24/49/608342449.db2.gz BBNFUJCTXLNCSO-UHFFFAOYSA-N -1 1 398.427 1.121 20 10 GDCDMM CN(Cc1ccccc1O)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825980483 608342450 /nfs/dbraw/zinc/34/24/50/608342450.db2.gz BBNFUJCTXLNCSO-UHFFFAOYSA-N -1 1 398.427 1.121 20 10 GDCDMM Cc1c(Br)cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(=O)n1C ZINC000784986383 654903203 /nfs/dbraw/zinc/90/32/03/654903203.db2.gz AIPAMRUDJXATMH-UHFFFAOYSA-N -1 1 396.193 1.907 20 10 GDCDMM COCCn1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1=O ZINC000765732076 655247707 /nfs/dbraw/zinc/24/77/07/655247707.db2.gz PALXBVCMGSSHJK-UHFFFAOYSA-N -1 1 381.226 1.893 20 10 GDCDMM COCc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])ncn1 ZINC000765902783 655251937 /nfs/dbraw/zinc/25/19/37/655251937.db2.gz DMUAAYNBGHXUOQ-UHFFFAOYSA-N -1 1 395.213 1.346 20 10 GDCDMM Cc1cc(C2=NC(=CC3=S=CC(c4nn[n-]n4)=C3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000822198969 945985214 /nfs/dbraw/zinc/98/52/14/945985214.db2.gz QNITXBPSBXIDJY-SDQBBNPISA-N -1 1 382.361 1.409 20 10 GDCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001603068149 972132332 /nfs/dbraw/zinc/13/23/32/972132332.db2.gz HEPGTUWSEPDOGV-IBGZPJMESA-N -1 1 385.464 1.720 20 10 GDCDMM CC(C)C[C@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000898842119 956268933 /nfs/dbraw/zinc/26/89/33/956268933.db2.gz RYDLPZMKOHGVEB-QGZVFWFLSA-N -1 1 376.501 1.985 20 10 GDCDMM CC(C)(C)[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC001590444468 990004644 /nfs/dbraw/zinc/00/46/44/990004644.db2.gz KPHDRHWZCPSILB-QGZVFWFLSA-N -1 1 381.448 1.367 20 10 GDCDMM CS(=O)(=O)N1CC[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001599754905 992039824 /nfs/dbraw/zinc/03/98/24/992039824.db2.gz NKTZKYAJPNLNSV-LLVKDONJSA-N -1 1 376.862 1.214 20 10 GDCDMM CS(=O)(=O)N1CC[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001599754905 992039830 /nfs/dbraw/zinc/03/98/30/992039830.db2.gz NKTZKYAJPNLNSV-LLVKDONJSA-N -1 1 376.862 1.214 20 10 GDCDMM Cc1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000277733791 531307077 /nfs/dbraw/zinc/30/70/77/531307077.db2.gz LOXUGSNYWKMKRS-NSHDSACASA-N -1 1 380.246 1.869 20 10 GDCDMM Cc1ccn(C[C@@](C)(O)C(=O)NCc2cccc(Br)c2[O-])c(=O)c1 ZINC000280599796 531515332 /nfs/dbraw/zinc/51/53/32/531515332.db2.gz YDBSYRUHWAEIHC-QGZVFWFLSA-N -1 1 395.253 1.692 20 10 GDCDMM CCS(=O)(=O)NCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000367176518 531817737 /nfs/dbraw/zinc/81/77/37/531817737.db2.gz MCKSQJVUJLDYAA-AWEZNQCLSA-N -1 1 389.905 1.066 20 10 GDCDMM CC[C@H](CNS(C)(=O)=O)NC(=O)NCc1cccc(Br)c1[O-] ZINC000298246195 531868434 /nfs/dbraw/zinc/86/84/34/531868434.db2.gz YCXKKEXKOQLEEX-SNVBAGLBSA-N -1 1 394.291 1.282 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)N3CC[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000818593669 597506389 /nfs/dbraw/zinc/50/63/89/597506389.db2.gz FXOYPVXIMQUIJR-MRXNPFEDSA-N -1 1 390.484 1.323 20 10 GDCDMM CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000736781236 598692944 /nfs/dbraw/zinc/69/29/44/598692944.db2.gz WWRBXOCUYFEAFA-UHFFFAOYSA-N -1 1 394.407 1.689 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)c3ccc(C(=O)[O-])nc3)cc2F)CC1 ZINC000730193351 600076335 /nfs/dbraw/zinc/07/63/35/600076335.db2.gz GVVSITORAVVTKF-UHFFFAOYSA-N -1 1 386.427 1.991 20 10 GDCDMM COc1ccc(N2CCN(C(=O)CN3CCC4(C[C@@H]4C(=O)[O-])CC3)CC2)cc1 ZINC000738021152 600299990 /nfs/dbraw/zinc/29/99/90/600299990.db2.gz HMADHKPBVDYLSH-GOSISDBHSA-N -1 1 387.480 1.531 20 10 GDCDMM COC(=O)c1ccc(C=C(Cl)c2nc3c(c(=O)[nH]2)=C(C)C(C(=O)[O-])=S=3)[nH]1 ZINC000831378611 601445194 /nfs/dbraw/zinc/44/51/94/601445194.db2.gz AFIBVFKKYRBLCD-VMPITWQZSA-N -1 1 393.808 1.459 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1)cc2=O ZINC000739482242 602763138 /nfs/dbraw/zinc/76/31/38/602763138.db2.gz NQFRPUXXPUWDQA-ZWNOBZJWSA-N -1 1 377.401 1.090 20 10 GDCDMM O=C(CCNS(=O)(=O)c1cccs1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916613888 660196659 /nfs/dbraw/zinc/19/66/59/660196659.db2.gz FLPIFLVXKQKXQO-UHFFFAOYSA-N -1 1 385.419 1.254 20 10 GDCDMM COCCN1C(=O)C(=CNCc2ccc(Cl)cc2Cl)C(=O)[N-]C1=S ZINC000920975973 660279468 /nfs/dbraw/zinc/27/94/68/660279468.db2.gz DWTSOWSZWPVOJR-DHZHZOJOSA-N -1 1 388.276 1.857 20 10 GDCDMM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c(OC)c1 ZINC000776744531 654707131 /nfs/dbraw/zinc/70/71/31/654707131.db2.gz KUPRFLJOGLTWNV-UHFFFAOYSA-N -1 1 386.451 1.963 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCN(c3nccn(C)c3=O)CC2)c1 ZINC000781911422 654820234 /nfs/dbraw/zinc/82/02/34/654820234.db2.gz MIPJONCFESVMMO-UHFFFAOYSA-N -1 1 393.285 1.879 20 10 GDCDMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)NC)cc2)c1 ZINC000799924899 654863642 /nfs/dbraw/zinc/86/36/42/654863642.db2.gz ADRNZCDMIBQNHZ-UHFFFAOYSA-N -1 1 385.467 1.762 20 10 GDCDMM O=C(NCc1nnc[nH]1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000751062369 654870601 /nfs/dbraw/zinc/87/06/01/654870601.db2.gz DYOHLMNSVBCTKD-UHFFFAOYSA-N -1 1 379.423 1.303 20 10 GDCDMM NC(=O)CNC(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000802761461 654954260 /nfs/dbraw/zinc/95/42/60/654954260.db2.gz MQYYQYBHKOWRMD-UHFFFAOYSA-N -1 1 378.226 1.982 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCCS(=O)(=O)C1 ZINC000765537356 655243136 /nfs/dbraw/zinc/24/31/36/655243136.db2.gz SACJLKOKBZXHBG-SNVBAGLBSA-N -1 1 377.260 1.531 20 10 GDCDMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)ccc1O ZINC000797819931 655249460 /nfs/dbraw/zinc/24/94/60/655249460.db2.gz XDTNQQGAFHJCIT-UHFFFAOYSA-N -1 1 375.399 1.744 20 10 GDCDMM CC(C)(C)n1cnc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765927315 655252706 /nfs/dbraw/zinc/25/27/06/655252706.db2.gz PXFQQBNHEZRDEV-UHFFFAOYSA-N -1 1 396.245 1.756 20 10 GDCDMM NS(=O)(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000798341123 655264257 /nfs/dbraw/zinc/26/42/57/655264257.db2.gz BYYWDLFBQHRYOC-UHFFFAOYSA-N -1 1 385.239 1.732 20 10 GDCDMM Cn1cc(N2C[C@H](C(=O)NCc3cccc(Br)c3[O-])CC2=O)cn1 ZINC000861332667 655819545 /nfs/dbraw/zinc/81/95/45/655819545.db2.gz NZAMCCWRMXKCQW-LLVKDONJSA-N -1 1 393.241 1.558 20 10 GDCDMM CC(C)CN1C(=O)C(=CNN=c2[nH]c3ccncc3s2)C(=O)[N-]C1=S ZINC000865211947 655914748 /nfs/dbraw/zinc/91/47/48/655914748.db2.gz DFDYNANYOLOATO-WEVVVXLNSA-N -1 1 376.467 1.391 20 10 GDCDMM O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1cc(Br)ccc1O ZINC000867266738 656026648 /nfs/dbraw/zinc/02/66/48/656026648.db2.gz VFLVYQOIFOXIJA-UHFFFAOYSA-N -1 1 383.289 1.751 20 10 GDCDMM COc1ccc(N2CCCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000826208804 947610341 /nfs/dbraw/zinc/61/03/41/947610341.db2.gz APDCHWTVCLRIMR-UHFFFAOYSA-N -1 1 397.439 1.453 20 10 GDCDMM COc1ccc(N2CCCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000826208804 947610347 /nfs/dbraw/zinc/61/03/47/947610347.db2.gz APDCHWTVCLRIMR-UHFFFAOYSA-N -1 1 397.439 1.453 20 10 GDCDMM CN(Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC001598505862 992503076 /nfs/dbraw/zinc/50/30/76/992503076.db2.gz PPIXRROLYMNCIV-LBPRGKRZSA-N -1 1 383.445 1.481 20 10 GDCDMM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1F)c1cccc2nsnc21 ZINC000047211568 530657121 /nfs/dbraw/zinc/65/71/21/530657121.db2.gz FPGWNWKHXSGCFV-UHFFFAOYSA-N -1 1 377.386 1.607 20 10 GDCDMM CN(C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1)S(C)(=O)=O ZINC000092529876 530812443 /nfs/dbraw/zinc/81/24/43/530812443.db2.gz HQERIENECMYYJK-UHFFFAOYSA-N -1 1 377.850 1.810 20 10 GDCDMM CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277344443 531274904 /nfs/dbraw/zinc/27/49/04/531274904.db2.gz FZKNMPJZWUISGQ-SECBINFHSA-N -1 1 379.276 1.777 20 10 GDCDMM CS(=O)(=O)CC1(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277421384 531280149 /nfs/dbraw/zinc/28/01/49/531280149.db2.gz LEIPJRNCYTXLHH-UHFFFAOYSA-N -1 1 391.287 1.779 20 10 GDCDMM O=C(C[C@@H]1CCCS(=O)(=O)C1)NCc1cccc(Br)c1[O-] ZINC000295374746 531568965 /nfs/dbraw/zinc/56/89/65/531568965.db2.gz ORIGZASDSJMGCX-JTQLQIEISA-N -1 1 376.272 1.986 20 10 GDCDMM C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000376612950 532221840 /nfs/dbraw/zinc/22/18/40/532221840.db2.gz XSMIEUONYYWNHB-FZMZJTMJSA-N -1 1 389.905 1.064 20 10 GDCDMM COC(=O)C(C)(C)CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000289021459 532313562 /nfs/dbraw/zinc/31/35/62/532313562.db2.gz BNAKOIXRWKCBKL-UHFFFAOYSA-N -1 1 380.260 1.773 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)N3CC[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000818593667 597506457 /nfs/dbraw/zinc/50/64/57/597506457.db2.gz FXOYPVXIMQUIJR-INIZCTEOSA-N -1 1 390.484 1.323 20 10 GDCDMM COc1ccc(N2CCN(C(=O)CN3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)CC2)cc1 ZINC000739911006 603416009 /nfs/dbraw/zinc/41/60/09/603416009.db2.gz UYRWWGLEMDMLPD-MAUKXSAKSA-N -1 1 390.484 1.322 20 10 GDCDMM CCOC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=S)NC1=O)CSCC2 ZINC000029006401 644298707 /nfs/dbraw/zinc/29/87/07/644298707.db2.gz JQEBTASOQOETSD-UHFFFAOYSA-N -1 1 397.503 1.541 20 10 GDCDMM Cn1ccnc1[C@@H](NC=C1C(=O)[N-]C(=S)NC1=O)c1ccc(Cl)cc1 ZINC000029009235 644298911 /nfs/dbraw/zinc/29/89/11/644298911.db2.gz LSEOKPMWINUQFT-LBPRGKRZSA-N -1 1 375.841 1.167 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCCCS1(=O)=O ZINC000764807757 655223781 /nfs/dbraw/zinc/22/37/81/655223781.db2.gz VDGIWBASZVBIKV-NSHDSACASA-N -1 1 391.287 1.921 20 10 GDCDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000797431811 655242362 /nfs/dbraw/zinc/24/23/62/655242362.db2.gz YXTWROBSMDPONS-UHFFFAOYSA-N -1 1 383.451 1.566 20 10 GDCDMM O=C(CNC(=O)COc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765736497 655247662 /nfs/dbraw/zinc/24/76/62/655247662.db2.gz MNOYYNKSUROPAP-UHFFFAOYSA-N -1 1 393.237 1.966 20 10 GDCDMM NS(=O)(=O)Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765735083 655247778 /nfs/dbraw/zinc/24/77/78/655247778.db2.gz DRDYFILSJMBQFG-UHFFFAOYSA-N -1 1 399.266 1.873 20 10 GDCDMM CCOC(=O)CCCS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766200741 655261510 /nfs/dbraw/zinc/26/15/10/655261510.db2.gz NIBARQYGDUORHQ-UHFFFAOYSA-N -1 1 380.260 1.917 20 10 GDCDMM CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1cccc(Br)c1[O-] ZINC000861332476 655819502 /nfs/dbraw/zinc/81/95/02/655819502.db2.gz CQGNUTQAFHADRM-LLVKDONJSA-N -1 1 389.246 1.657 20 10 GDCDMM C[C@@H](C(=O)NCCC1=CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573707434 948434010 /nfs/dbraw/zinc/43/40/10/948434010.db2.gz NSCRAIZPPNWZFP-NSHDSACASA-N -1 1 392.414 1.591 20 10 GDCDMM C[C@@H](C(=O)NCCC1=CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573707434 948434013 /nfs/dbraw/zinc/43/40/13/948434013.db2.gz NSCRAIZPPNWZFP-NSHDSACASA-N -1 1 392.414 1.591 20 10 GDCDMM O=C([O-])CN1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1=O ZINC001595084942 951718937 /nfs/dbraw/zinc/71/89/37/951718937.db2.gz ZAJHUSTVAIIMSM-SNVBAGLBSA-N -1 1 375.208 1.638 20 10 GDCDMM COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000779459095 978783984 /nfs/dbraw/zinc/78/39/84/978783984.db2.gz ORXUFFFWSZCNQG-UHFFFAOYSA-N -1 1 381.362 1.686 20 10 GDCDMM COCCN1C(=O)C(=CNc2ccc3nc(C)sc3c2)C(=O)[N-]C1=S ZINC000060863020 530738167 /nfs/dbraw/zinc/73/81/67/530738167.db2.gz HGDCTARAUDWVQO-FLIBITNWSA-N -1 1 376.463 1.790 20 10 GDCDMM CCC[C@](C)(NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC000736963751 600322984 /nfs/dbraw/zinc/32/29/84/600322984.db2.gz LSCNAQOTKVACFM-IBGZPJMESA-N -1 1 381.448 1.512 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000825942311 601374755 /nfs/dbraw/zinc/37/47/55/601374755.db2.gz QZVZMVGARUGQLK-GOSISDBHSA-N -1 1 392.452 1.103 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000825942311 601374757 /nfs/dbraw/zinc/37/47/57/601374757.db2.gz QZVZMVGARUGQLK-GOSISDBHSA-N -1 1 392.452 1.103 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1CN(C)C(=O)[O-])cc2=O ZINC000827356536 603579632 /nfs/dbraw/zinc/57/96/32/603579632.db2.gz QFVYTWOLTAUSMT-LBPRGKRZSA-N -1 1 377.401 1.186 20 10 GDCDMM Cn1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C(F)(F)F)n1 ZINC000770087933 654497528 /nfs/dbraw/zinc/49/75/28/654497528.db2.gz UCHVMFIZNVCJLF-UHFFFAOYSA-N -1 1 378.332 1.768 20 10 GDCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])C1(S(C)(=O)=O)CC1 ZINC000805790637 655045543 /nfs/dbraw/zinc/04/55/43/655045543.db2.gz CNXHYCPSUBFTPU-VIFPVBQESA-N -1 1 391.287 1.920 20 10 GDCDMM CC1(C)NC(=O)N(CCCC(=O)NCc2cccc(Br)c2[O-])C1=O ZINC000765753865 655248817 /nfs/dbraw/zinc/24/88/17/655248817.db2.gz RIJWSFOWVNGZLY-UHFFFAOYSA-N -1 1 398.257 1.882 20 10 GDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2n[nH]cc2Br)c1 ZINC000816620527 655330402 /nfs/dbraw/zinc/33/04/02/655330402.db2.gz YTDLYKXMZILJFG-UHFFFAOYSA-N -1 1 375.204 1.502 20 10 GDCDMM O=C1NC(=O)[C@@]2(CCCN(Cc3cc(Cl)cc(Br)c3[O-])C2)N1 ZINC000894594149 658588723 /nfs/dbraw/zinc/58/87/23/658588723.db2.gz FQHSRSAKNKLBCZ-AWEZNQCLSA-N -1 1 388.649 1.982 20 10 GDCDMM CC(C)[C@@H]1C[C@H]1C(=O)NCCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574088424 948924790 /nfs/dbraw/zinc/92/47/90/948924790.db2.gz CDGAIUXIIZBBHD-LSDHHAIUSA-N -1 1 382.472 1.592 20 10 GDCDMM CC(C)[C@@H]1C[C@H]1C(=O)NCCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574088424 948924802 /nfs/dbraw/zinc/92/48/02/948924802.db2.gz CDGAIUXIIZBBHD-LSDHHAIUSA-N -1 1 382.472 1.592 20 10 GDCDMM CC[C@@H](CNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)C(=O)[O-] ZINC001340462752 957919115 /nfs/dbraw/zinc/91/91/15/957919115.db2.gz OIGLBISKLRLGII-INIZCTEOSA-N -1 1 392.500 1.617 20 10 GDCDMM COc1c([O-])c(C[NH+]2CCC(n3cc(C(=O)[O-])nn3)CC2)ccc1[N+](=O)[O-] ZINC001599344384 997977342 /nfs/dbraw/zinc/97/73/42/997977342.db2.gz HDDIUMDHMXXPFC-UHFFFAOYSA-N -1 1 377.357 1.436 20 10 GDCDMM COc1cc(Br)cc(CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1O ZINC001599346603 998016589 /nfs/dbraw/zinc/01/65/89/998016589.db2.gz LOGOUEGKNZOGRU-LLVKDONJSA-N -1 1 397.229 1.900 20 10 GDCDMM COc1ccc(N2CCN(C(=O)CN3CCSC[C@@H]3CC(=O)[O-])CC2)cc1 ZINC000832383504 601016281 /nfs/dbraw/zinc/01/62/81/601016281.db2.gz JOJOMSAKPNRNBF-INIZCTEOSA-N -1 1 393.509 1.236 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000825942312 601374972 /nfs/dbraw/zinc/37/49/72/601374972.db2.gz QZVZMVGARUGQLK-SFHVURJKSA-N -1 1 392.452 1.103 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000825942312 601374975 /nfs/dbraw/zinc/37/49/75/601374975.db2.gz QZVZMVGARUGQLK-SFHVURJKSA-N -1 1 392.452 1.103 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCN(C(=O)[O-])C3)cc2F)CC1 ZINC000739458826 603243909 /nfs/dbraw/zinc/24/39/09/603243909.db2.gz XNWZAJGXOQUPJM-OAHLLOKOSA-N -1 1 378.448 1.584 20 10 GDCDMM COc1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1O ZINC000826216371 607632385 /nfs/dbraw/zinc/63/23/85/607632385.db2.gz WBGNUGOPSJLRCO-UHFFFAOYSA-N -1 1 379.373 1.199 20 10 GDCDMM CC1=c2c(nc(C(Cl)=Cc3cccc4nccn43)[nH]c2=O)=S=C1C(=O)[O-] ZINC000832853291 604841791 /nfs/dbraw/zinc/84/17/91/604841791.db2.gz UIWPUQJQENYYFP-YFHOEESVSA-N -1 1 386.820 1.992 20 10 GDCDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc1 ZINC000917732285 660220467 /nfs/dbraw/zinc/22/04/67/660220467.db2.gz TUNQTGFKUSLOJV-UHFFFAOYSA-N -1 1 382.419 1.529 20 10 GDCDMM COCCN1C(=O)C(=CNc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[N-]C1=S ZINC000920975872 660279420 /nfs/dbraw/zinc/27/94/20/660279420.db2.gz ATISBIUQWSUXLQ-VQHVLOKHSA-N -1 1 384.801 1.434 20 10 GDCDMM COCCN1C(=O)C(=CNc2ccc(Br)c(C)c2)C(=O)[N-]C1=S ZINC000920976701 660279466 /nfs/dbraw/zinc/27/94/66/660279466.db2.gz PJNVRFFLFUWXQQ-DHZHZOJOSA-N -1 1 398.282 1.943 20 10 GDCDMM COCCN1C(=O)C(=CNc2c(F)c(F)cc(F)c2F)C(=O)[N-]C1=S ZINC000920978766 660279662 /nfs/dbraw/zinc/27/96/62/660279662.db2.gz QJRZNZAVMCSLAT-WAYWQWQTSA-N -1 1 377.319 1.429 20 10 GDCDMM O=C(NCc1cnc[nH]1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000751068482 654871246 /nfs/dbraw/zinc/87/12/46/654871246.db2.gz WDGSSIOFNOGGFV-UHFFFAOYSA-N -1 1 378.435 1.908 20 10 GDCDMM CS(=O)(=O)CCCS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766199896 655261190 /nfs/dbraw/zinc/26/11/90/655261190.db2.gz KPQXNBRTNMGOSR-UHFFFAOYSA-N -1 1 386.289 1.009 20 10 GDCDMM COC1(CS(=O)(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000845922451 655438937 /nfs/dbraw/zinc/43/89/37/655438937.db2.gz YYHVPSOPZXMGTF-UHFFFAOYSA-N -1 1 394.287 1.770 20 10 GDCDMM Cn1nnc2c1CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])C2 ZINC000848670070 655498492 /nfs/dbraw/zinc/49/84/92/655498492.db2.gz NLLSDJFZBYKGDU-JTQLQIEISA-N -1 1 380.246 1.640 20 10 GDCDMM Cn1ncc(I)c1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000865868915 655928883 /nfs/dbraw/zinc/92/88/83/655928883.db2.gz ZVMNCTYPFHZTQM-UHFFFAOYSA-N -1 1 388.165 1.928 20 10 GDCDMM CCn1ncc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000873850968 656422961 /nfs/dbraw/zinc/42/29/61/656422961.db2.gz CSWDTNOGPSMUCF-UHFFFAOYSA-N -1 1 381.230 1.934 20 10 GDCDMM Cn1nc(C(=O)[O-])cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001594565214 955839948 /nfs/dbraw/zinc/83/99/48/955839948.db2.gz ZKSWSYOAJDYOFE-ZDUSSCGKSA-N -1 1 392.843 1.872 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)N(C)C[C@H](C)C(=O)[O-])CC2)cc1 ZINC001594101567 958440569 /nfs/dbraw/zinc/44/05/69/958440569.db2.gz HXBDHIZEDIMCIN-INIZCTEOSA-N -1 1 392.500 1.569 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)NC[C@H]3C[C@H]3C(=O)[O-])CC2)cc1 ZINC001599585774 993610781 /nfs/dbraw/zinc/61/07/81/993610781.db2.gz XRQSOEUZOKNHHI-CRAIPNDOSA-N -1 1 390.484 1.227 20 10 GDCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](N3CCCS3(=O)=O)C2)c1[O-] ZINC000279441624 531433379 /nfs/dbraw/zinc/43/33/79/531433379.db2.gz PGJBIDMOMSPOTJ-ZDUSSCGKSA-N -1 1 389.861 1.954 20 10 GDCDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000738257762 599276588 /nfs/dbraw/zinc/27/65/88/599276588.db2.gz CYPDWZFMPKHGHR-OAHLLOKOSA-N -1 1 380.408 1.789 20 10 GDCDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000738257762 599276589 /nfs/dbraw/zinc/27/65/89/599276589.db2.gz CYPDWZFMPKHGHR-OAHLLOKOSA-N -1 1 380.408 1.789 20 10 GDCDMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000739278476 600129909 /nfs/dbraw/zinc/12/99/09/600129909.db2.gz MHMFZOULJIWWBC-OAHLLOKOSA-N -1 1 379.432 1.075 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]([C@H](C)NC(=O)[O-])C1)cc2=O ZINC000827354516 604226519 /nfs/dbraw/zinc/22/65/19/604226519.db2.gz BXUIJSXZXFTVSY-RYUDHWBXSA-N -1 1 391.428 1.480 20 10 GDCDMM CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825879421 608437753 /nfs/dbraw/zinc/43/77/53/608437753.db2.gz MWCDMHVTGOUGGA-MRXNPFEDSA-N -1 1 380.456 1.908 20 10 GDCDMM CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825879421 608437755 /nfs/dbraw/zinc/43/77/55/608437755.db2.gz MWCDMHVTGOUGGA-MRXNPFEDSA-N -1 1 380.456 1.908 20 10 GDCDMM C[C@](O)(Cn1ccccc1=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000790964628 655062759 /nfs/dbraw/zinc/06/27/59/655062759.db2.gz RYGYMUNGJUNLLG-INIZCTEOSA-N -1 1 381.226 1.384 20 10 GDCDMM O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1cccc(Br)c1[O-] ZINC000764800486 655223756 /nfs/dbraw/zinc/22/37/56/655223756.db2.gz PDBYKSYQXWKNDY-UHFFFAOYSA-N -1 1 384.190 1.759 20 10 GDCDMM Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765925083 655252440 /nfs/dbraw/zinc/25/24/40/655252440.db2.gz DOURBWQJFDWBLI-UHFFFAOYSA-N -1 1 394.225 1.417 20 10 GDCDMM COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3ncn(C)c3Cl)C2)cc1 ZINC000819890051 655397870 /nfs/dbraw/zinc/39/78/70/655397870.db2.gz LGSNSSUIGIOBBJ-GFCCVEGCSA-N -1 1 384.889 1.887 20 10 GDCDMM C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])CS1(=O)=O ZINC000821986923 655438312 /nfs/dbraw/zinc/43/83/12/655438312.db2.gz ZCFOHAMQNFHUDP-KOLCDFICSA-N -1 1 391.287 1.920 20 10 GDCDMM CO[C@H](CS(=O)(=O)NCc1cccc(Br)c1[O-])[C@H]1CCOC1 ZINC000849390357 655526239 /nfs/dbraw/zinc/52/62/39/655526239.db2.gz MFCPMZJQQIMUSZ-WCQYABFASA-N -1 1 394.287 1.626 20 10 GDCDMM CCN1C[C@@H](S(=O)(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000867195598 656010836 /nfs/dbraw/zinc/01/08/36/656010836.db2.gz VILYOPGPUJVADJ-JTQLQIEISA-N -1 1 377.260 1.195 20 10 GDCDMM COC(=O)C1(S(=O)(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000882131390 657050169 /nfs/dbraw/zinc/05/01/69/657050169.db2.gz FTMOTQCGHWJPGB-UHFFFAOYSA-N -1 1 378.244 1.670 20 10 GDCDMM COc1ccc(N2CCC(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000826209103 947610543 /nfs/dbraw/zinc/61/05/43/947610543.db2.gz MROKQCCZQQFRGM-UHFFFAOYSA-N -1 1 397.439 1.499 20 10 GDCDMM COc1ccc(N2CCC(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000826209103 947610548 /nfs/dbraw/zinc/61/05/48/947610548.db2.gz MROKQCCZQQFRGM-UHFFFAOYSA-N -1 1 397.439 1.499 20 10 GDCDMM CC(F)(F)CC(=O)NCCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001575229260 948840621 /nfs/dbraw/zinc/84/06/21/948840621.db2.gz FESOUMQBICETGH-UHFFFAOYSA-N -1 1 378.387 1.345 20 10 GDCDMM CC(F)(F)CC(=O)NCCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001575229260 948840633 /nfs/dbraw/zinc/84/06/33/948840633.db2.gz FESOUMQBICETGH-UHFFFAOYSA-N -1 1 378.387 1.345 20 10 GDCDMM CN1CCN(c2ccc(CNC(=O)N[C@H]3C[C@H]4C[C@@H](C(=O)[O-])C[C@H]43)cc2)CC1 ZINC001598624361 994061627 /nfs/dbraw/zinc/06/16/27/994061627.db2.gz MRBFFLSKRYGFMZ-RWQQGDIJSA-N -1 1 386.496 1.737 20 10 GDCDMM Cn1nc2c(c1NC(=O)C(=O)NCc1cccc(Br)c1[O-])CCC2 ZINC000277584883 531295188 /nfs/dbraw/zinc/29/51/88/531295188.db2.gz UZLUIZGOBROVSK-UHFFFAOYSA-N -1 1 393.241 1.632 20 10 GDCDMM O=C([O-])C1(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000740375757 597079311 /nfs/dbraw/zinc/07/93/11/597079311.db2.gz IJBRNXMKEQAXIZ-UHFFFAOYSA-N -1 1 379.432 1.266 20 10 GDCDMM CCC[C@@](C)(NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC000736963754 600323076 /nfs/dbraw/zinc/32/30/76/600323076.db2.gz LSCNAQOTKVACFM-LJQANCHMSA-N -1 1 381.448 1.512 20 10 GDCDMM COc1ccc(N2CCN(C(=O)CN3CCSC[C@H]3CC(=O)[O-])CC2)cc1 ZINC000832383506 601017000 /nfs/dbraw/zinc/01/70/00/601017000.db2.gz JOJOMSAKPNRNBF-MRXNPFEDSA-N -1 1 393.509 1.236 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000825942374 601371409 /nfs/dbraw/zinc/37/14/09/601371409.db2.gz VTLAEOAHXWXIGG-LJQANCHMSA-N -1 1 380.416 1.426 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)NCCN(C)C(=O)[O-])cc2F)CC1 ZINC000739454683 602714332 /nfs/dbraw/zinc/71/43/32/602714332.db2.gz GBAROJMEUPRBPD-UHFFFAOYSA-N -1 1 381.452 1.377 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000738585744 604293158 /nfs/dbraw/zinc/29/31/58/604293158.db2.gz MPEBXRVWDIKEBB-QGZVFWFLSA-N -1 1 377.441 1.269 20 10 GDCDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCc1ccc(O)c(O)c1 ZINC000822006265 606183519 /nfs/dbraw/zinc/18/35/19/606183519.db2.gz ZREUXANKQNFZIY-UHFFFAOYSA-N -1 1 398.423 1.287 20 10 GDCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cn(C)nc2C)c(F)c1 ZINC000830150647 654931592 /nfs/dbraw/zinc/93/15/92/654931592.db2.gz LHGGBBCNZQNLGC-UHFFFAOYSA-N -1 1 390.462 1.820 20 10 GDCDMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1C ZINC000794577577 655147287 /nfs/dbraw/zinc/14/72/87/655147287.db2.gz WXFMDGOSDNMNPS-UHFFFAOYSA-N -1 1 384.435 1.433 20 10 GDCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)nc2)cc1C ZINC000795303073 655170330 /nfs/dbraw/zinc/17/03/30/655170330.db2.gz DTRXWICVUZGWTL-UHFFFAOYSA-N -1 1 385.467 1.961 20 10 GDCDMM CS(=O)(=O)CCOCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764786173 655223153 /nfs/dbraw/zinc/22/31/53/655223153.db2.gz ZVRFOFHCMFRRAD-UHFFFAOYSA-N -1 1 395.275 1.015 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)[C@@H]3COCC[C@H]32)c1 ZINC000839185866 655240995 /nfs/dbraw/zinc/24/09/95/655240995.db2.gz HAPYJANYMFWWRG-ZIAGYGMSSA-N -1 1 390.299 1.851 20 10 GDCDMM CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765737246 655248057 /nfs/dbraw/zinc/24/80/57/655248057.db2.gz SLJKIRLVGKXBAA-LLVKDONJSA-N -1 1 379.276 1.345 20 10 GDCDMM O=C(CCN1C(=O)CCNC1=S)NCc1cccc(Br)c1[O-] ZINC000847927071 655479052 /nfs/dbraw/zinc/47/90/52/655479052.db2.gz FVXXHSAUHUKPMN-UHFFFAOYSA-N -1 1 386.271 1.268 20 10 GDCDMM CC(C)[C@H]1C[C@@H]1C(=O)NCCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574088421 948925938 /nfs/dbraw/zinc/92/59/38/948925938.db2.gz CDGAIUXIIZBBHD-CABCVRRESA-N -1 1 382.472 1.592 20 10 GDCDMM CC(C)[C@H]1C[C@@H]1C(=O)NCCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574088421 948925953 /nfs/dbraw/zinc/92/59/53/948925953.db2.gz CDGAIUXIIZBBHD-CABCVRRESA-N -1 1 382.472 1.592 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC001574217041 962941618 /nfs/dbraw/zinc/94/16/18/962941618.db2.gz KCNJQVIZLGCDIM-DLBZAZTESA-N -1 1 389.496 1.824 20 10 GDCDMM O=S(=O)([N-]c1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc(F)c1 ZINC000175684572 530668788 /nfs/dbraw/zinc/66/87/88/530668788.db2.gz KESLKTNRRYKGCQ-UHFFFAOYSA-N -1 1 384.454 1.861 20 10 GDCDMM COCCN1C(=O)C(=CNc2cc(Cl)ccc2N(C)C)C(=O)[N-]C1=S ZINC000060865328 530738014 /nfs/dbraw/zinc/73/80/14/530738014.db2.gz XZZQKNAVUBYWKT-LUAWRHEFSA-N -1 1 382.873 1.592 20 10 GDCDMM C[NH+](C)CCCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000271241299 531988205 /nfs/dbraw/zinc/98/82/05/531988205.db2.gz YUCPGRCWLIMAGQ-UHFFFAOYSA-N -1 1 383.495 1.936 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N3CCC(C(=O)[O-])CC3)cc2F)CC1 ZINC000737123356 600565362 /nfs/dbraw/zinc/56/53/62/600565362.db2.gz TZUWCAUVEZSINP-UHFFFAOYSA-N -1 1 392.475 1.974 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCC(CN(C)C(=O)[O-])CC1)cc2=O ZINC000739482033 602382430 /nfs/dbraw/zinc/38/24/30/602382430.db2.gz IMHOGOIMERMSRV-UHFFFAOYSA-N -1 1 391.428 1.433 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)[C@H](NC(=O)[O-])C(C)C)cc2F)CC1 ZINC000737117043 602752774 /nfs/dbraw/zinc/75/27/74/602752774.db2.gz UHPXZXQSHCTKGM-QGZVFWFLSA-N -1 1 380.464 1.876 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)CC3CN(C(=O)[O-])C3)CC2)cc1 ZINC000829424647 603639207 /nfs/dbraw/zinc/63/92/07/603639207.db2.gz QUEUAJFNOHBCLG-UHFFFAOYSA-N -1 1 390.484 1.323 20 10 GDCDMM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823254477 606515990 /nfs/dbraw/zinc/51/59/90/606515990.db2.gz VUANCYVBIBBMEX-UHFFFAOYSA-N -1 1 388.428 1.834 20 10 GDCDMM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823254477 606515991 /nfs/dbraw/zinc/51/59/91/606515991.db2.gz VUANCYVBIBBMEX-UHFFFAOYSA-N -1 1 388.428 1.834 20 10 GDCDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(N2CCOCC2)cc1 ZINC000823624938 606702039 /nfs/dbraw/zinc/70/20/39/606702039.db2.gz LKKLAXLCHAOZDC-UHFFFAOYSA-N -1 1 382.384 1.619 20 10 GDCDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(N2CCOCC2)cc1 ZINC000823624938 606702040 /nfs/dbraw/zinc/70/20/40/606702040.db2.gz LKKLAXLCHAOZDC-UHFFFAOYSA-N -1 1 382.384 1.619 20 10 GDCDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)ccc1O ZINC000823387796 606866985 /nfs/dbraw/zinc/86/69/85/606866985.db2.gz YHUUEOPDQQTTRM-UHFFFAOYSA-N -1 1 395.784 1.725 20 10 GDCDMM CN(Cc1ccc(N2CCOCC2)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821610949 607164068 /nfs/dbraw/zinc/16/40/68/607164068.db2.gz LGKXUPPFADWNRI-UHFFFAOYSA-N -1 1 396.411 1.643 20 10 GDCDMM CN(Cc1ccc(N2CCOCC2)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821610949 607164069 /nfs/dbraw/zinc/16/40/69/607164069.db2.gz LGKXUPPFADWNRI-UHFFFAOYSA-N -1 1 396.411 1.643 20 10 GDCDMM COCn1nccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000795186484 655165892 /nfs/dbraw/zinc/16/58/92/655165892.db2.gz VNUBFZQDOKZNNA-UHFFFAOYSA-N -1 1 376.232 1.434 20 10 GDCDMM COc1ncc(NC(=O)NCc2cccc(Br)c2[O-])cc1C(N)=O ZINC000765315517 655237783 /nfs/dbraw/zinc/23/77/83/655237783.db2.gz KLVWNJBAMWUZAG-UHFFFAOYSA-N -1 1 395.213 1.979 20 10 GDCDMM Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765942436 655253508 /nfs/dbraw/zinc/25/35/08/655253508.db2.gz BZKDFZOIQFHRDE-UHFFFAOYSA-N -1 1 388.243 1.071 20 10 GDCDMM CS(=O)(=O)N1CCC(CNC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000892538487 658331784 /nfs/dbraw/zinc/33/17/84/658331784.db2.gz QXRLCIIPNDQSCT-UHFFFAOYSA-N -1 1 375.878 1.516 20 10 GDCDMM COC[C@]1(C(=O)[O-])CN(Cc2cc(Br)cc(F)c2O)CCO1 ZINC001604564640 973625540 /nfs/dbraw/zinc/62/55/40/973625540.db2.gz MPVPVEHCYCZYLY-AWEZNQCLSA-N -1 1 378.194 1.596 20 10 GDCDMM COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1 ZINC000776433075 978748067 /nfs/dbraw/zinc/74/80/67/978748067.db2.gz LZYUQMNBOMNDEJ-UHFFFAOYSA-N -1 1 381.362 1.686 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1 ZINC000825942371 978942989 /nfs/dbraw/zinc/94/29/89/978942989.db2.gz VQSBDXQYYSCWJJ-SFHVURJKSA-N -1 1 376.453 1.866 20 10 GDCDMM CC[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)c2)CC1 ZINC001596442315 984135421 /nfs/dbraw/zinc/13/54/21/984135421.db2.gz RURPREJPWJLIMF-UHFFFAOYSA-N -1 1 390.465 1.723 20 10 GDCDMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(OC)c1 ZINC001598967375 998448391 /nfs/dbraw/zinc/44/83/91/998448391.db2.gz CVEIQMADLXFTRV-UHFFFAOYSA-N -1 1 381.362 1.686 20 10 GDCDMM CCn1c(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)n[n-]c1=S ZINC000067119164 530773051 /nfs/dbraw/zinc/77/30/51/530773051.db2.gz QCORYRXDMUJHQN-UHFFFAOYSA-N -1 1 385.471 1.010 20 10 GDCDMM C[C@@]1(CCCC(=O)NCc2cccc(Br)c2[O-])NC(=O)NC1=O ZINC000277558501 531293511 /nfs/dbraw/zinc/29/35/11/531293511.db2.gz PBKAXGFUVYNYPH-HNNXBMFYSA-N -1 1 384.230 1.539 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CCN(C(=O)[O-])C3)cc2F)CC1 ZINC000739458823 603243863 /nfs/dbraw/zinc/24/38/63/603243863.db2.gz XNWZAJGXOQUPJM-HNNXBMFYSA-N -1 1 378.448 1.584 20 10 GDCDMM CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000728014912 654882153 /nfs/dbraw/zinc/88/21/53/654882153.db2.gz JZBPNHJHBAWYQL-UHFFFAOYSA-N -1 1 388.398 1.696 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])C1CCC2(CC1)NC(=O)NC2=O ZINC000765746543 655248529 /nfs/dbraw/zinc/24/85/29/655248529.db2.gz HNKGNMKMLYHKFU-UHFFFAOYSA-N -1 1 396.241 1.539 20 10 GDCDMM CCc1ncc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765932171 655252695 /nfs/dbraw/zinc/25/26/95/655252695.db2.gz XTWOZFIGUCBJFP-UHFFFAOYSA-N -1 1 379.214 1.762 20 10 GDCDMM NS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894017634 658493774 /nfs/dbraw/zinc/49/37/74/658493774.db2.gz QDISISYTSUPYQW-SECBINFHSA-N -1 1 381.267 1.794 20 10 GDCDMM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000894800409 658615689 /nfs/dbraw/zinc/61/56/89/658615689.db2.gz DCIQCTHNBMBELX-LBPRGKRZSA-N -1 1 375.878 1.659 20 10 GDCDMM CC1(C(=O)NCCC2=CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCCC1 ZINC001575596218 950373906 /nfs/dbraw/zinc/37/39/06/950373906.db2.gz SLUPHRVLJZYBFH-UHFFFAOYSA-N -1 1 382.472 1.880 20 10 GDCDMM CC1(C(=O)NCCC2=CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCCC1 ZINC001575596218 950373930 /nfs/dbraw/zinc/37/39/30/950373930.db2.gz SLUPHRVLJZYBFH-UHFFFAOYSA-N -1 1 382.472 1.880 20 10 GDCDMM CCc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])n(C)n1 ZINC000277561903 531293669 /nfs/dbraw/zinc/29/36/69/531293669.db2.gz RTHRHDJKPZCIRQ-UHFFFAOYSA-N -1 1 381.230 1.706 20 10 GDCDMM O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1c(F)ccc(O)c1[O-] ZINC000294767969 531496943 /nfs/dbraw/zinc/49/69/43/531496943.db2.gz BQOHUJUWFQBNIH-UHFFFAOYSA-N -1 1 382.360 1.231 20 10 GDCDMM C[NH+](C)C1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1 ZINC000270845769 531929416 /nfs/dbraw/zinc/92/94/16/531929416.db2.gz OIERFMANIBQOKZ-UHFFFAOYSA-N -1 1 381.479 1.641 20 10 GDCDMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(N2CCOCC2)cc1 ZINC000736117859 598998445 /nfs/dbraw/zinc/99/84/45/598998445.db2.gz HFJUKLSANFCSHY-CYBMUJFWSA-N -1 1 379.424 1.589 20 10 GDCDMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(N2CCOCC2)cc1 ZINC000736117859 598998447 /nfs/dbraw/zinc/99/84/47/598998447.db2.gz HFJUKLSANFCSHY-CYBMUJFWSA-N -1 1 379.424 1.589 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)cc2F)CC1 ZINC000737122914 600748930 /nfs/dbraw/zinc/74/89/30/600748930.db2.gz NKHVIGXORRTSKL-INIZCTEOSA-N -1 1 392.475 1.974 20 10 GDCDMM O=C([O-])C1CCN(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000833190141 601603164 /nfs/dbraw/zinc/60/31/64/601603164.db2.gz OEKQUFNGUBVQON-KRWDZBQOSA-N -1 1 376.453 1.696 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000825942009 601813589 /nfs/dbraw/zinc/81/35/89/601813589.db2.gz IYLJARZBHNDDHJ-ACJLOTCBSA-N -1 1 376.453 1.580 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000738585793 601911482 /nfs/dbraw/zinc/91/14/82/601911482.db2.gz MXEAEKUIZWFPHP-OAHLLOKOSA-N -1 1 391.468 1.517 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCN(C(=O)[O-])C3)cc2F)CC1 ZINC000739457904 602583980 /nfs/dbraw/zinc/58/39/80/602583980.db2.gz VFKOTQLDTIIODU-OAHLLOKOSA-N -1 1 393.463 1.519 20 10 GDCDMM COc1ccc(N2CCN(C(=O)CN3CC[C@H](NC(=O)[O-])[C@H](C)C3)CC2)cc1 ZINC000739911007 603415943 /nfs/dbraw/zinc/41/59/43/603415943.db2.gz UYRWWGLEMDMLPD-QAPCUYQASA-N -1 1 390.484 1.322 20 10 GDCDMM C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830935150 604278066 /nfs/dbraw/zinc/27/80/66/604278066.db2.gz QTLIEVZZNGKXAK-BIENSFFJSA-N -1 1 388.424 1.435 20 10 GDCDMM CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825879420 608437588 /nfs/dbraw/zinc/43/75/88/608437588.db2.gz MWCDMHVTGOUGGA-INIZCTEOSA-N -1 1 380.456 1.908 20 10 GDCDMM CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825879420 608437589 /nfs/dbraw/zinc/43/75/89/608437589.db2.gz MWCDMHVTGOUGGA-INIZCTEOSA-N -1 1 380.456 1.908 20 10 GDCDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000024345876 644275250 /nfs/dbraw/zinc/27/52/50/644275250.db2.gz SNAPHTSRXFDOCK-UHFFFAOYSA-N -1 1 384.435 1.646 20 10 GDCDMM O=C1NCCc2c(F)c([N-]S(=O)(=O)c3cccc4nsnc43)ccc21 ZINC000570349829 651037135 /nfs/dbraw/zinc/03/71/35/651037135.db2.gz XRHXHCWSTWFKMF-UHFFFAOYSA-N -1 1 378.410 1.917 20 10 GDCDMM COCCN1C(=O)C(=CNCCCSc2ccccc2)C(=O)[N-]C1=S ZINC000920980003 660279709 /nfs/dbraw/zinc/27/97/09/660279709.db2.gz RBLHVGGUIOIGKE-WYMLVPIESA-N -1 1 379.507 1.532 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])NCC1CCS(=O)(=O)CC1 ZINC000764800709 655223690 /nfs/dbraw/zinc/22/36/90/655223690.db2.gz QXJNHYMDZUJXFD-UHFFFAOYSA-N -1 1 391.287 1.779 20 10 GDCDMM NC(=O)c1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765540075 655243114 /nfs/dbraw/zinc/24/31/14/655243114.db2.gz UAKFBLNLZXDLOP-UHFFFAOYSA-N -1 1 379.214 1.648 20 10 GDCDMM O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766207010 655261431 /nfs/dbraw/zinc/26/14/31/655261431.db2.gz LVGVVSLMENXHDA-UHFFFAOYSA-N -1 1 388.199 1.936 20 10 GDCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(N3CCCS3(=O)=O)CC2)c1[O-] ZINC000840955791 655306226 /nfs/dbraw/zinc/30/62/26/655306226.db2.gz ZNBUTSLLLLGBGF-UHFFFAOYSA-N -1 1 389.861 1.954 20 10 GDCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cnn2c1OCCC2 ZINC000841514698 655334281 /nfs/dbraw/zinc/33/42/81/655334281.db2.gz LSRXLBQOVFEIGE-UHFFFAOYSA-N -1 1 388.243 1.612 20 10 GDCDMM CS(C)(=O)=NS(=O)(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000895312722 658684500 /nfs/dbraw/zinc/68/45/00/658684500.db2.gz STMRUPANMMSUJW-UHFFFAOYSA-N -1 1 381.907 1.136 20 10 GDCDMM CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)N(C)C)cc1 ZINC001598314571 991300232 /nfs/dbraw/zinc/30/02/32/991300232.db2.gz YGYHNCWSZHUWNJ-MRXNPFEDSA-N -1 1 392.481 1.427 20 10 GDCDMM CN1CCN(c2ccc(CNS(=O)(=O)c3csnc3C(=O)[O-])cc2)CC1 ZINC001598625047 994074805 /nfs/dbraw/zinc/07/48/05/994074805.db2.gz XSIRMRQKZDCMSY-UHFFFAOYSA-N -1 1 396.494 1.072 20 10 GDCDMM O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738104398 599024478 /nfs/dbraw/zinc/02/44/78/599024478.db2.gz XFBWOGUHPUBVNP-UHFFFAOYSA-N -1 1 381.465 1.745 20 10 GDCDMM O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738104398 599024480 /nfs/dbraw/zinc/02/44/80/599024480.db2.gz XFBWOGUHPUBVNP-UHFFFAOYSA-N -1 1 381.465 1.745 20 10 GDCDMM CS(=O)(=O)N1CCC[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000832687426 601595145 /nfs/dbraw/zinc/59/51/45/601595145.db2.gz BJDDNNQPFDYPTP-GFCCVEGCSA-N -1 1 390.889 1.604 20 10 GDCDMM CS(=O)(=O)N1CCC[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000832687426 601595147 /nfs/dbraw/zinc/59/51/47/601595147.db2.gz BJDDNNQPFDYPTP-GFCCVEGCSA-N -1 1 390.889 1.604 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000825942011 601813643 /nfs/dbraw/zinc/81/36/43/601813643.db2.gz IYLJARZBHNDDHJ-SCLBCKFNSA-N -1 1 376.453 1.580 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)[C@]3(C)CCN(C(=O)[O-])C3)cc2F)CC1 ZINC000827228648 603930726 /nfs/dbraw/zinc/93/07/26/603930726.db2.gz QKZHEHXDFFWCBG-HXUWFJFHSA-N -1 1 392.475 1.974 20 10 GDCDMM COC(=O)CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1cc(Cl)ccc1O ZINC000826137982 608691463 /nfs/dbraw/zinc/69/14/63/608691463.db2.gz BNBPPHGWSFJEON-UHFFFAOYSA-N -1 1 377.788 1.994 20 10 GDCDMM COC(=O)CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1cc(Cl)ccc1O ZINC000826137982 608691465 /nfs/dbraw/zinc/69/14/65/608691465.db2.gz BNBPPHGWSFJEON-UHFFFAOYSA-N -1 1 377.788 1.994 20 10 GDCDMM O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)NCc1nn[n-]n1 ZINC000732158520 654462022 /nfs/dbraw/zinc/46/20/22/654462022.db2.gz HUWNOEAWINWUQB-YFHOEESVSA-N -1 1 394.507 1.559 20 10 GDCDMM O=S(=O)([N-]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1c[nH]nc1Cl ZINC000830610135 654951357 /nfs/dbraw/zinc/95/13/57/654951357.db2.gz VYEBFTGYZBCWMX-UHFFFAOYSA-N -1 1 388.852 1.642 20 10 GDCDMM O=C([O-])c1cc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)ccc1O ZINC000757656227 655041824 /nfs/dbraw/zinc/04/18/24/655041824.db2.gz OIHCGOXKDBEDKU-UHFFFAOYSA-N -1 1 384.753 1.979 20 10 GDCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C1(S(C)(=O)=O)CC1 ZINC000805790636 655045623 /nfs/dbraw/zinc/04/56/23/655045623.db2.gz CNXHYCPSUBFTPU-SECBINFHSA-N -1 1 391.287 1.920 20 10 GDCDMM CNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808113589 655098522 /nfs/dbraw/zinc/09/85/22/655098522.db2.gz DPCNMBUYGXETMW-UHFFFAOYSA-N -1 1 394.833 1.894 20 10 GDCDMM NC(=O)COc1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765768311 655249179 /nfs/dbraw/zinc/24/91/79/655249179.db2.gz IQUSDEJQXUGJQA-UHFFFAOYSA-N -1 1 379.210 1.949 20 10 GDCDMM [O-]c1c(Br)cccc1CNC(=S)NCCCN1CCOCC1 ZINC000765991493 655255387 /nfs/dbraw/zinc/25/53/87/655255387.db2.gz APRPDZYYNIHYGA-UHFFFAOYSA-N -1 1 388.331 1.841 20 10 GDCDMM [O-]c1c(Br)cc(Br)cc1CN1C[C@H](CO)[C@H](CO)C1 ZINC000877764569 656691092 /nfs/dbraw/zinc/69/10/92/656691092.db2.gz FJUYPUYQJQHSAZ-AOOOYVTPSA-N -1 1 395.091 1.950 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)[C@]3(C(=O)[O-])CC3(C)C)CC2)cc1 ZINC000852950994 955873823 /nfs/dbraw/zinc/87/38/23/955873823.db2.gz ANEFLENLOBRGPN-NRFANRHFSA-N -1 1 389.496 1.824 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)C3(C(=O)[O-])CC=CC3)CC2)cc1 ZINC000852952430 955877746 /nfs/dbraw/zinc/87/77/46/955877746.db2.gz MHTSSVBMPAEWQV-UHFFFAOYSA-N -1 1 387.480 1.745 20 10 GDCDMM CC(C)n1c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)n[n-]c1=S ZINC000066640211 530765586 /nfs/dbraw/zinc/76/55/86/530765586.db2.gz CRHAOMGEDGDTSZ-UHFFFAOYSA-N -1 1 385.471 1.529 20 10 GDCDMM CCS(=O)(=O)C[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277344447 531274402 /nfs/dbraw/zinc/27/44/02/531274402.db2.gz FZKNMPJZWUISGQ-VIFPVBQESA-N -1 1 379.276 1.777 20 10 GDCDMM O=C(CNC(=O)NCc1cccc(Br)c1[O-])NCC(F)(F)F ZINC000277490052 531287476 /nfs/dbraw/zinc/28/74/76/531287476.db2.gz QLPAOSXINMHBQD-UHFFFAOYSA-N -1 1 384.152 1.632 20 10 GDCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000265791605 531287558 /nfs/dbraw/zinc/28/75/58/531287558.db2.gz ULOWGPFJIYMIEY-UHFFFAOYSA-N -1 1 382.463 1.942 20 10 GDCDMM COc1ccc(O)c(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826210586 607637539 /nfs/dbraw/zinc/63/75/39/607637539.db2.gz XEQBUEMCRZJCTC-UHFFFAOYSA-N -1 1 379.373 1.199 20 10 GDCDMM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782751855 654844712 /nfs/dbraw/zinc/84/47/12/654844712.db2.gz VMXFHTRSLHGNCB-SECBINFHSA-N -1 1 385.419 1.252 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)[C@H]3COCC[C@@H]32)c1 ZINC000839185857 655241018 /nfs/dbraw/zinc/24/10/18/655241018.db2.gz HAPYJANYMFWWRG-KBPBESRZSA-N -1 1 390.299 1.851 20 10 GDCDMM O=C(CNC(=O)Cc1ccc(O)cc1)NCc1cccc(Br)c1[O-] ZINC000765747955 655248577 /nfs/dbraw/zinc/24/85/77/655248577.db2.gz RUQLWGOAZMTVJK-UHFFFAOYSA-N -1 1 393.237 1.835 20 10 GDCDMM CN(CC(=O)NCc1cccc(Br)c1[O-])c1ncnc2nc[nH]c21 ZINC000765748539 655248596 /nfs/dbraw/zinc/24/85/96/655248596.db2.gz WBQABVGXVZFVKO-UHFFFAOYSA-N -1 1 391.229 1.574 20 10 GDCDMM C[C@H](C(=O)N(C)CC(=O)NCc1cccc(Br)c1[O-])n1cccn1 ZINC000765751263 655248718 /nfs/dbraw/zinc/24/87/18/655248718.db2.gz CTKIGSALOJMWCH-LLVKDONJSA-N -1 1 395.257 1.687 20 10 GDCDMM COc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765904808 655252177 /nfs/dbraw/zinc/25/21/77/655252177.db2.gz WYNVWGQGUXANDI-UHFFFAOYSA-N -1 1 380.198 1.813 20 10 GDCDMM CO[C@H](CS(=O)(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCOC1 ZINC000849390356 655526210 /nfs/dbraw/zinc/52/62/10/655526210.db2.gz MFCPMZJQQIMUSZ-DGCLKSJQSA-N -1 1 394.287 1.626 20 10 GDCDMM CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000867381423 656049544 /nfs/dbraw/zinc/04/95/44/656049544.db2.gz FHJDTGZVLDGTCV-DEOSSOPVSA-N -1 1 397.469 1.254 20 10 GDCDMM Cc1onc(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1-c1nnn[n-]1 ZINC000826343628 947993077 /nfs/dbraw/zinc/99/30/77/947993077.db2.gz IJTGOQOHAJJFLQ-UHFFFAOYSA-N -1 1 381.440 1.963 20 10 GDCDMM Cc1onc(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1-c1nn[n-]n1 ZINC000826343628 947993090 /nfs/dbraw/zinc/99/30/90/947993090.db2.gz IJTGOQOHAJJFLQ-UHFFFAOYSA-N -1 1 381.440 1.963 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)[C@@]3(C(=O)[O-])CC3(C)C)CC2)cc1 ZINC000852950995 955873975 /nfs/dbraw/zinc/87/39/75/955873975.db2.gz ANEFLENLOBRGPN-OAQYLSRUSA-N -1 1 389.496 1.824 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC001589268480 985954321 /nfs/dbraw/zinc/95/43/21/985954321.db2.gz RUAIUXZVOGVVLY-SCLBCKFNSA-N -1 1 376.453 1.722 20 10 GDCDMM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000277483734 531286150 /nfs/dbraw/zinc/28/61/50/531286150.db2.gz IWTJDYKFEVSYRX-LBPRGKRZSA-N -1 1 393.303 1.735 20 10 GDCDMM CCOC(=O)COCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000297077777 531756043 /nfs/dbraw/zinc/75/60/43/531756043.db2.gz KNTPZYSSUWIRNZ-UHFFFAOYSA-N -1 1 375.219 1.534 20 10 GDCDMM CN(C)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825880224 607580608 /nfs/dbraw/zinc/58/06/08/607580608.db2.gz ZIRIPRQJVZUCTC-UHFFFAOYSA-N -1 1 376.417 1.550 20 10 GDCDMM CN(C)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825880224 607580609 /nfs/dbraw/zinc/58/06/09/607580609.db2.gz ZIRIPRQJVZUCTC-UHFFFAOYSA-N -1 1 376.417 1.550 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCN(C(=O)[O-])C[C@@H]2C)c1 ZINC000738585516 602859985 /nfs/dbraw/zinc/85/99/85/602859985.db2.gz JJTRORYRXGENHK-AWEZNQCLSA-N -1 1 391.468 1.611 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCN(C(=O)[O-])C[C@@H]2C)c1 ZINC000738585516 602859990 /nfs/dbraw/zinc/85/99/90/602859990.db2.gz JJTRORYRXGENHK-AWEZNQCLSA-N -1 1 391.468 1.611 20 10 GDCDMM C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830935151 604278389 /nfs/dbraw/zinc/27/83/89/604278389.db2.gz QTLIEVZZNGKXAK-GMNBZTITSA-N -1 1 388.424 1.435 20 10 GDCDMM Cc1oc(NC(=O)CN2CCOc3cc(N(C)C)ccc32)c(-c2nn[n-]n2)c1C ZINC000826341847 608088128 /nfs/dbraw/zinc/08/81/28/608088128.db2.gz RLNONHIMNKKOFR-UHFFFAOYSA-N -1 1 397.439 1.980 20 10 GDCDMM O=C(Nc1n[n-]c(C2=S=CC=C2)n1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000917126832 660206729 /nfs/dbraw/zinc/20/67/29/660206729.db2.gz PDQJTEQLYOWSJU-UHFFFAOYSA-N -1 1 384.389 1.679 20 10 GDCDMM O=C(Nc1nc(C2=S=CC=C2)n[n-]1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000917126832 660206731 /nfs/dbraw/zinc/20/67/31/660206731.db2.gz PDQJTEQLYOWSJU-UHFFFAOYSA-N -1 1 384.389 1.679 20 10 GDCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 ZINC000917752678 660221437 /nfs/dbraw/zinc/22/14/37/660221437.db2.gz ADBNPEIRZPFKAB-UHFFFAOYSA-N -1 1 383.451 1.348 20 10 GDCDMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000732526164 654476443 /nfs/dbraw/zinc/47/64/43/654476443.db2.gz NAGHWTFBCDBBSI-UHFFFAOYSA-N -1 1 381.479 1.735 20 10 GDCDMM C[C@H](CCS(C)(=O)=O)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764796508 655223479 /nfs/dbraw/zinc/22/34/79/655223479.db2.gz FPJHGCCSKCBYLK-SECBINFHSA-N -1 1 379.276 1.777 20 10 GDCDMM CN(C)C(=O)Cn1cc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765302154 655237766 /nfs/dbraw/zinc/23/77/66/655237766.db2.gz FVVWIFKOGMKYDB-UHFFFAOYSA-N -1 1 396.245 1.761 20 10 GDCDMM COc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])nn1C ZINC000765903802 655251947 /nfs/dbraw/zinc/25/19/47/655251947.db2.gz MNBBJJXXIQVCNJ-UHFFFAOYSA-N -1 1 383.202 1.152 20 10 GDCDMM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1cccc(Br)c1O ZINC000867195902 656010718 /nfs/dbraw/zinc/01/07/18/656010718.db2.gz YXXAHSADJJUOFU-UHFFFAOYSA-N -1 1 385.305 1.997 20 10 GDCDMM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000867427995 656059363 /nfs/dbraw/zinc/05/93/63/656059363.db2.gz DIYCVZIEAXWPAV-CQSZACIVSA-N -1 1 389.543 1.864 20 10 GDCDMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574088422 948925721 /nfs/dbraw/zinc/92/57/21/948925721.db2.gz CDGAIUXIIZBBHD-GJZGRUSLSA-N -1 1 382.472 1.592 20 10 GDCDMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574088422 948925737 /nfs/dbraw/zinc/92/57/37/948925737.db2.gz CDGAIUXIIZBBHD-GJZGRUSLSA-N -1 1 382.472 1.592 20 10 GDCDMM CC(C)C[C@@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000898842117 956268649 /nfs/dbraw/zinc/26/86/49/956268649.db2.gz RYDLPZMKOHGVEB-KRWDZBQOSA-N -1 1 376.501 1.985 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)cc1 ZINC001594101852 958447008 /nfs/dbraw/zinc/44/70/08/958447008.db2.gz YQCBVLVQVUPOFB-ZWKOTPCHSA-N -1 1 375.469 1.434 20 10 GDCDMM O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1c([O-])c(O)ccc1F ZINC000295200817 531538731 /nfs/dbraw/zinc/53/87/31/531538731.db2.gz WAJRVSOYODJLRF-UHFFFAOYSA-N -1 1 386.323 1.281 20 10 GDCDMM CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736818854 599132023 /nfs/dbraw/zinc/13/20/23/599132023.db2.gz CONCUROVSWTFEB-UHFFFAOYSA-N -1 1 395.423 1.143 20 10 GDCDMM CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736818854 599132025 /nfs/dbraw/zinc/13/20/25/599132025.db2.gz CONCUROVSWTFEB-UHFFFAOYSA-N -1 1 395.423 1.143 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)C(C)(C)NC(=O)[O-])CC2)cc1 ZINC000738020470 599726521 /nfs/dbraw/zinc/72/65/21/599726521.db2.gz FJXRMFDAPSMJIK-UHFFFAOYSA-N -1 1 378.473 1.370 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)c3ccnc(C(=O)[O-])c3)CC2)cc1 ZINC000832384327 601271803 /nfs/dbraw/zinc/27/18/03/601271803.db2.gz YUXYVKYYVRNEFO-UHFFFAOYSA-N -1 1 398.463 1.731 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCN(C(=O)[O-])C3)cc2F)CC1 ZINC000739457902 602584070 /nfs/dbraw/zinc/58/40/70/602584070.db2.gz VFKOTQLDTIIODU-HNNXBMFYSA-N -1 1 393.463 1.519 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)[O-])C3)cc2F)CC1 ZINC000737854510 602727534 /nfs/dbraw/zinc/72/75/34/602727534.db2.gz UUQKVDCHQDAMBQ-MRXNPFEDSA-N -1 1 392.475 1.974 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](NC(=O)[O-])[C@@H](C)C1)cc2=O ZINC000739482240 602763030 /nfs/dbraw/zinc/76/30/30/602763030.db2.gz NQFRPUXXPUWDQA-GXFFZTMASA-N -1 1 377.401 1.090 20 10 GDCDMM Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826268534 607617359 /nfs/dbraw/zinc/61/73/59/607617359.db2.gz BQLZBBUOYDBDDJ-UHFFFAOYSA-N -1 1 390.444 1.859 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1CN(C)C(=O)[O-])cc2=O ZINC000827356533 603579321 /nfs/dbraw/zinc/57/93/21/603579321.db2.gz QFVYTWOLTAUSMT-GFCCVEGCSA-N -1 1 377.401 1.186 20 10 GDCDMM COCCN1C(=O)C(=CNc2cc(Cl)ccc2[N+](=O)[O-])C(=O)[N-]C1=S ZINC000920977129 660279448 /nfs/dbraw/zinc/27/94/48/660279448.db2.gz YXDMPJTXIVPGRH-VQHVLOKHSA-N -1 1 384.801 1.434 20 10 GDCDMM CN(C)S(=O)(=O)c1ccsc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783624273 654865068 /nfs/dbraw/zinc/86/50/68/654865068.db2.gz YSORNKJBKXKWMD-UHFFFAOYSA-N -1 1 385.419 1.449 20 10 GDCDMM CC(=O)c1cc(Cl)cc(CN2CCN(S(=O)(=O)NC(C)C)CC2)c1[O-] ZINC000829493422 654901524 /nfs/dbraw/zinc/90/15/24/654901524.db2.gz VHHLTTDMRWAUMR-UHFFFAOYSA-N -1 1 389.905 1.609 20 10 GDCDMM CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765737253 655247979 /nfs/dbraw/zinc/24/79/79/655247979.db2.gz SLJKIRLVGKXBAA-NSHDSACASA-N -1 1 379.276 1.345 20 10 GDCDMM Cc1nnc(CN(C)CC(=O)NCc2cccc(Br)c2[O-])n1C ZINC000765750487 655248862 /nfs/dbraw/zinc/24/88/62/655248862.db2.gz HCAOEDCEVRWEMY-UHFFFAOYSA-N -1 1 382.262 1.340 20 10 GDCDMM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cccc(Br)c1[O-] ZINC000765764094 655249105 /nfs/dbraw/zinc/24/91/05/655249105.db2.gz HXURYICVNQZKJX-RYUDHWBXSA-N -1 1 395.253 1.946 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCc2nnnn2CC1 ZINC000817810380 655359295 /nfs/dbraw/zinc/35/92/95/655359295.db2.gz XEWIWWIBCNXRGB-JTQLQIEISA-N -1 1 381.234 1.346 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@@H](CS(C)(=O)=O)C2)c1 ZINC000897596103 658869464 /nfs/dbraw/zinc/86/94/64/658869464.db2.gz RZWJHQBGQBSCKD-GFCCVEGCSA-N -1 1 378.288 1.709 20 10 GDCDMM O=C([O-])CN1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1=O ZINC001595084939 951718855 /nfs/dbraw/zinc/71/88/55/951718855.db2.gz ZAJHUSTVAIIMSM-JTQLQIEISA-N -1 1 375.208 1.638 20 10 GDCDMM CN(C)C(=O)Cn1ccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000278191495 531341684 /nfs/dbraw/zinc/34/16/84/531341684.db2.gz TWZYNQACJOISKL-UHFFFAOYSA-N -1 1 396.245 1.761 20 10 GDCDMM O=C(C1=CC(=O)CS1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738247564 598719269 /nfs/dbraw/zinc/71/92/69/598719269.db2.gz STMCXNUBXZVQQL-UHFFFAOYSA-N -1 1 387.425 1.462 20 10 GDCDMM C[C@H]1CN(c2ccc(CNC(=O)CNC(C)(C)C(=O)[O-])cc2F)C[C@H](C)O1 ZINC000736827938 599923424 /nfs/dbraw/zinc/92/34/24/599923424.db2.gz VVFQYGDMRATTSG-STQMWFEESA-N -1 1 381.448 1.508 20 10 GDCDMM O=C([O-])C[N@H+](CCNS(=O)(=O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739794412 600143449 /nfs/dbraw/zinc/14/34/49/600143449.db2.gz YQPRHOHHHUTJKS-UHFFFAOYSA-N -1 1 398.868 1.911 20 10 GDCDMM O=C([O-])C[N@@H+](CCNS(=O)(=O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739794412 600143451 /nfs/dbraw/zinc/14/34/51/600143451.db2.gz YQPRHOHHHUTJKS-UHFFFAOYSA-N -1 1 398.868 1.911 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](CN(C)C(=O)[O-])C1)cc2=O ZINC000739482100 602528580 /nfs/dbraw/zinc/52/85/80/602528580.db2.gz KPQAJSYRDARPLU-NSHDSACASA-N -1 1 377.401 1.043 20 10 GDCDMM COc1ccc(N2CCN(C(=O)CN(C)CC(C)(C)CNC(=O)[O-])CC2)cc1 ZINC000829424858 603548195 /nfs/dbraw/zinc/54/81/95/603548195.db2.gz UJTZDFKBQOZOOS-UHFFFAOYSA-N -1 1 392.500 1.569 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)C(C)(C)CNC(=O)[O-])cc2F)CC1 ZINC000827228861 603662272 /nfs/dbraw/zinc/66/22/72/603662272.db2.gz RRKDTINBTZSAOE-UHFFFAOYSA-N -1 1 380.464 1.878 20 10 GDCDMM O=S(=O)([N-]c1cc(-c2nn[nH]n2)ccc1Cl)c1cccc2nonc21 ZINC000823583073 607003078 /nfs/dbraw/zinc/00/30/78/607003078.db2.gz GVLRBOKBUXMFDA-UHFFFAOYSA-N -1 1 377.773 1.857 20 10 GDCDMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000826425008 608013003 /nfs/dbraw/zinc/01/30/03/608013003.db2.gz MDDPSPANORPKRW-UHFFFAOYSA-N -1 1 399.370 1.477 20 10 GDCDMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000826425008 608013004 /nfs/dbraw/zinc/01/30/04/608013004.db2.gz MDDPSPANORPKRW-UHFFFAOYSA-N -1 1 399.370 1.477 20 10 GDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1 ZINC000769799894 654483250 /nfs/dbraw/zinc/48/32/50/654483250.db2.gz DDETWIYMUOIXLA-UHFFFAOYSA-N -1 1 383.813 1.768 20 10 GDCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cnn(CC)c2)c(F)c1 ZINC000830150325 654931632 /nfs/dbraw/zinc/93/16/32/654931632.db2.gz JDRPFDVDXDJJNE-UHFFFAOYSA-N -1 1 390.462 1.995 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCCS1(=O)=O ZINC000764799828 655223419 /nfs/dbraw/zinc/22/34/19/655223419.db2.gz LZUBIFIWYBXPSU-SNVBAGLBSA-N -1 1 377.260 1.531 20 10 GDCDMM O=C(NCc1nnc2n1CCOC2)NCc1cccc(Br)c1[O-] ZINC000764805764 655223696 /nfs/dbraw/zinc/22/36/96/655223696.db2.gz GZHUPFYVZMTDJE-UHFFFAOYSA-N -1 1 382.218 1.276 20 10 GDCDMM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765735323 655247653 /nfs/dbraw/zinc/24/76/53/655247653.db2.gz GTGVKGCTZQDEBS-GFCCVEGCSA-N -1 1 391.287 1.585 20 10 GDCDMM NC(=O)c1ccc(OCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765766708 655249064 /nfs/dbraw/zinc/24/90/64/655249064.db2.gz ALFMHKTYOHZFIL-UHFFFAOYSA-N -1 1 379.210 1.949 20 10 GDCDMM CS(C)(=O)=NS(=O)(=O)CCNCc1cc(Cl)cc(Cl)c1[O-] ZINC000922492160 656483299 /nfs/dbraw/zinc/48/32/99/656483299.db2.gz JVQLSICZFLZPCJ-UHFFFAOYSA-N -1 1 375.299 1.846 20 10 GDCDMM C[C@H](NCc1nnc2c(=O)n(C)ccn12)c1cc(Br)cc(F)c1[O-] ZINC000883335255 657282182 /nfs/dbraw/zinc/28/21/82/657282182.db2.gz OXMXZTNIHPXUMM-QMMMGPOBSA-N -1 1 396.220 1.886 20 10 GDCDMM Cc1onc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1-c1nnn[n-]1 ZINC000826343299 947988230 /nfs/dbraw/zinc/98/82/30/947988230.db2.gz UWZCQWHCRUVYRB-UHFFFAOYSA-N -1 1 397.439 1.201 20 10 GDCDMM Cc1onc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1-c1nn[n-]n1 ZINC000826343299 947988236 /nfs/dbraw/zinc/98/82/36/947988236.db2.gz UWZCQWHCRUVYRB-UHFFFAOYSA-N -1 1 397.439 1.201 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)c3cc(C(=O)[O-])ccn3)cc2F)CC1 ZINC000911351606 982374626 /nfs/dbraw/zinc/37/46/26/982374626.db2.gz ZZLLWXZJIRZALO-UHFFFAOYSA-N -1 1 386.427 1.991 20 10 GDCDMM CC[C@@H](CNS(C)(=O)=O)NC(=O)NCc1cccc(Br)c1[O-] ZINC000298246193 531868038 /nfs/dbraw/zinc/86/80/38/531868038.db2.gz YCXKKEXKOQLEEX-JTQLQIEISA-N -1 1 394.291 1.282 20 10 GDCDMM CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825878795 607580357 /nfs/dbraw/zinc/58/03/57/607580357.db2.gz FNCHVJRHLLCRBF-UHFFFAOYSA-N -1 1 376.417 1.550 20 10 GDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 ZINC000769666122 654476941 /nfs/dbraw/zinc/47/69/41/654476941.db2.gz GPZUEBQHQZXYQZ-UHFFFAOYSA-N -1 1 383.813 1.768 20 10 GDCDMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCSc1nccs1 ZINC000751085549 654871700 /nfs/dbraw/zinc/87/17/00/654871700.db2.gz MCYONYGIHFCZPK-UHFFFAOYSA-N -1 1 376.485 1.504 20 10 GDCDMM O=S(=O)([N-]Cc1ccc(N2CCC(CO)CC2)cc1)c1c[nH]nc1Cl ZINC000830609907 654951395 /nfs/dbraw/zinc/95/13/95/654951395.db2.gz QLYBTNBCOWKILM-UHFFFAOYSA-N -1 1 384.889 1.750 20 10 GDCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)cn1 ZINC000795291420 655169672 /nfs/dbraw/zinc/16/96/72/655169672.db2.gz XTHPKDWVNHPWAW-UHFFFAOYSA-N -1 1 391.858 1.916 20 10 GDCDMM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000765754812 655248875 /nfs/dbraw/zinc/24/88/75/655248875.db2.gz WTHWODBYPARPIY-UHFFFAOYSA-N -1 1 382.214 1.913 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000843425928 655394804 /nfs/dbraw/zinc/39/48/04/655394804.db2.gz KDBPZQTXVQNYMI-OAHLLOKOSA-N -1 1 390.299 1.853 20 10 GDCDMM O=C(NCC[C@@H]1CCCS1(=O)=O)NCc1cccc(Br)c1[O-] ZINC000889818885 658059055 /nfs/dbraw/zinc/05/90/55/658059055.db2.gz IVYDAGRPCRLVCO-NSHDSACASA-N -1 1 391.287 1.921 20 10 GDCDMM Cc1onc(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826343923 947998044 /nfs/dbraw/zinc/99/80/44/947998044.db2.gz QRSRAWSPDLCIJO-CQSZACIVSA-N -1 1 398.423 1.619 20 10 GDCDMM Cc1onc(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826343923 947998048 /nfs/dbraw/zinc/99/80/48/947998048.db2.gz QRSRAWSPDLCIJO-CQSZACIVSA-N -1 1 398.423 1.619 20 10 GDCDMM CN(Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001598505861 992502735 /nfs/dbraw/zinc/50/27/35/992502735.db2.gz PPIXRROLYMNCIV-GFCCVEGCSA-N -1 1 383.445 1.481 20 10 GDCDMM CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736774807 598688554 /nfs/dbraw/zinc/68/85/54/598688554.db2.gz YOUDFBDEQLMDNG-UHFFFAOYSA-N -1 1 390.444 1.893 20 10 GDCDMM COC(=O)c1ccc(C=C(Cl)c2nc3c(c(=O)[nH]2)=C(C)C(C(=O)[O-])=S=3)[nH]1 ZINC000831378612 601445086 /nfs/dbraw/zinc/44/50/86/601445086.db2.gz AFIBVFKKYRBLCD-YVMONPNESA-N -1 1 393.808 1.459 20 10 GDCDMM Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826268847 607617160 /nfs/dbraw/zinc/61/71/60/607617160.db2.gz PTMKHAZOTDGXOZ-UHFFFAOYSA-N -1 1 390.444 1.859 20 10 GDCDMM Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826268847 607617161 /nfs/dbraw/zinc/61/71/61/607617161.db2.gz PTMKHAZOTDGXOZ-UHFFFAOYSA-N -1 1 390.444 1.859 20 10 GDCDMM COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826210403 607632135 /nfs/dbraw/zinc/63/21/35/607632135.db2.gz QAMMIMHAEYSKNX-VIFPVBQESA-N -1 1 393.400 1.760 20 10 GDCDMM COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826210403 607632136 /nfs/dbraw/zinc/63/21/36/607632136.db2.gz QAMMIMHAEYSKNX-VIFPVBQESA-N -1 1 393.400 1.760 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N3CC[C@H](NC(=O)[O-])C3)cc2F)CC1 ZINC000739454008 605100973 /nfs/dbraw/zinc/10/09/73/605100973.db2.gz CRCOXPSBEZUMIB-HNNXBMFYSA-N -1 1 393.463 1.519 20 10 GDCDMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1Cl)c1cccc2nonc21 ZINC000823582904 607123341 /nfs/dbraw/zinc/12/33/41/607123341.db2.gz CSCWFWFDCDEANU-UHFFFAOYSA-N -1 1 377.773 1.857 20 10 GDCDMM O=C(Cn1cc(Br)ccc1=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782778586 654845334 /nfs/dbraw/zinc/84/53/34/654845334.db2.gz DBRNGNOVEGLWKI-UHFFFAOYSA-N -1 1 382.166 1.448 20 10 GDCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccnn2C)c(F)c1 ZINC000830150907 654931596 /nfs/dbraw/zinc/93/15/96/654931596.db2.gz OFXNHMOUJCFNRX-UHFFFAOYSA-N -1 1 376.435 1.512 20 10 GDCDMM NS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808113747 655098714 /nfs/dbraw/zinc/09/87/14/655098714.db2.gz IJPUARMBSUGNDR-UHFFFAOYSA-N -1 1 380.806 1.633 20 10 GDCDMM O=C(NCCc1nnc2n1CCC2)NCc1cccc(Br)c1[O-] ZINC000765536876 655243095 /nfs/dbraw/zinc/24/30/95/655243095.db2.gz IYJOFFHGIDZKOF-UHFFFAOYSA-N -1 1 380.246 1.734 20 10 GDCDMM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1cccc(Br)c1[O-] ZINC000765764095 655249043 /nfs/dbraw/zinc/24/90/43/655249043.db2.gz HXURYICVNQZKJX-TXEJJXNPSA-N -1 1 395.253 1.946 20 10 GDCDMM C[C@H]1CN(S(=O)(=O)NCc2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000766201244 655261519 /nfs/dbraw/zinc/26/15/19/655261519.db2.gz QDJGYBMMFVZCCC-UWVGGRQHSA-N -1 1 379.276 1.598 20 10 GDCDMM CS(=O)(=O)CCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000823815097 655468500 /nfs/dbraw/zinc/46/85/00/655468500.db2.gz WQQWJSNWSBXEMC-UHFFFAOYSA-N -1 1 379.276 1.779 20 10 GDCDMM CC(C)[C@H](NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(=O)[O-] ZINC001589402254 954442992 /nfs/dbraw/zinc/44/29/92/954442992.db2.gz CQUNGENEADGMEX-KSMMKXTCSA-N -1 1 395.475 1.754 20 10 GDCDMM CC(C)[C@H](NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(=O)[O-] ZINC001589402255 954443249 /nfs/dbraw/zinc/44/32/49/954443249.db2.gz CQUNGENEADGMEX-LPMFXHHGSA-N -1 1 395.475 1.754 20 10 GDCDMM C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599900580 984816654 /nfs/dbraw/zinc/81/66/54/984816654.db2.gz YYKMNRJJXHEXKH-STQMWFEESA-N -1 1 378.429 1.653 20 10 GDCDMM O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345901 598269608 /nfs/dbraw/zinc/26/96/08/598269608.db2.gz QYYYMQXTSOOAKJ-UHFFFAOYSA-N -1 1 399.480 1.731 20 10 GDCDMM O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345901 598269609 /nfs/dbraw/zinc/26/96/09/598269609.db2.gz QYYYMQXTSOOAKJ-UHFFFAOYSA-N -1 1 399.480 1.731 20 10 GDCDMM COc1ccc(N2CCN(C(=O)CN3CCC4(C[C@H]4C(=O)[O-])CC3)CC2)cc1 ZINC000738021162 600300143 /nfs/dbraw/zinc/30/01/43/600300143.db2.gz HMADHKPBVDYLSH-SFHVURJKSA-N -1 1 387.480 1.531 20 10 GDCDMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000739278475 600841129 /nfs/dbraw/zinc/84/11/29/600841129.db2.gz MHMFZOULJIWWBC-HNNXBMFYSA-N -1 1 379.432 1.075 20 10 GDCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000833249096 601006992 /nfs/dbraw/zinc/00/69/92/601006992.db2.gz BBYXBDVQAYCTJX-ZDUSSCGKSA-N -1 1 384.776 1.098 20 10 GDCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000833249096 601006994 /nfs/dbraw/zinc/00/69/94/601006994.db2.gz BBYXBDVQAYCTJX-ZDUSSCGKSA-N -1 1 384.776 1.098 20 10 GDCDMM C[C@@](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)(C(=O)[O-])C1CC1 ZINC000827728632 601175304 /nfs/dbraw/zinc/17/53/04/601175304.db2.gz UHLBKLSJCHCXTR-IBGZPJMESA-N -1 1 379.432 1.121 20 10 GDCDMM COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826210402 607631900 /nfs/dbraw/zinc/63/19/00/607631900.db2.gz QAMMIMHAEYSKNX-SECBINFHSA-N -1 1 393.400 1.760 20 10 GDCDMM COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826210402 607631902 /nfs/dbraw/zinc/63/19/02/607631902.db2.gz QAMMIMHAEYSKNX-SECBINFHSA-N -1 1 393.400 1.760 20 10 GDCDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000797431711 655242394 /nfs/dbraw/zinc/24/23/94/655242394.db2.gz WQFSSWUKBSAXNI-UHFFFAOYSA-N -1 1 386.411 1.272 20 10 GDCDMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1C ZINC000797820148 655249454 /nfs/dbraw/zinc/24/94/54/655249454.db2.gz IJYFPPYNLXPMIE-UHFFFAOYSA-N -1 1 386.451 1.418 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCN(S(C)(=O)=O)[C@H](C)C2)c1 ZINC000827271145 655508378 /nfs/dbraw/zinc/50/83/78/655508378.db2.gz JUDCVZLOIVWMOU-LLVKDONJSA-N -1 1 377.304 1.929 20 10 GDCDMM NS(=O)(=O)C[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894017635 658493648 /nfs/dbraw/zinc/49/36/48/658493648.db2.gz QDISISYTSUPYQW-VIFPVBQESA-N -1 1 381.267 1.794 20 10 GDCDMM CC1=C(C)C(=O)N(CCC(=O)NCc2cccc(Br)c2[O-])C1=O ZINC000907759491 659824330 /nfs/dbraw/zinc/82/43/30/659824330.db2.gz ZFLFGGMSUHLHCT-UHFFFAOYSA-N -1 1 381.226 1.866 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1 ZINC000825942370 978942939 /nfs/dbraw/zinc/94/29/39/978942939.db2.gz VQSBDXQYYSCWJJ-GOSISDBHSA-N -1 1 376.453 1.866 20 10 GDCDMM CS(=O)(=O)N1CC[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001599755019 992041695 /nfs/dbraw/zinc/04/16/95/992041695.db2.gz NKTZKYAJPNLNSV-NSHDSACASA-N -1 1 376.862 1.214 20 10 GDCDMM CS(=O)(=O)N1CC[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001599755019 992041707 /nfs/dbraw/zinc/04/17/07/992041707.db2.gz NKTZKYAJPNLNSV-NSHDSACASA-N -1 1 376.862 1.214 20 10 GDCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC001591636070 992949141 /nfs/dbraw/zinc/94/91/41/992949141.db2.gz YOUVLVAEAHHOML-NRFANRHFSA-N -1 1 385.464 1.456 20 10 GDCDMM O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1cccc(Br)c1[O-] ZINC000277530759 531290913 /nfs/dbraw/zinc/29/09/13/531290913.db2.gz MMHFDFRPZSLPHY-SNVBAGLBSA-N -1 1 394.312 1.691 20 10 GDCDMM COC(=O)CCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000821660130 599309330 /nfs/dbraw/zinc/30/93/30/599309330.db2.gz GWCCAWIFBCODTO-JXMROGBWSA-N -1 1 379.423 1.614 20 10 GDCDMM COC(=O)CCCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S ZINC000821660130 599309334 /nfs/dbraw/zinc/30/93/34/599309334.db2.gz GWCCAWIFBCODTO-JXMROGBWSA-N -1 1 379.423 1.614 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCc3ccccc3[C@H]1C(=O)[O-])cc2=O ZINC000829889491 601548108 /nfs/dbraw/zinc/54/81/08/601548108.db2.gz BRUFRGJHSKEAIW-KRWDZBQOSA-N -1 1 396.403 1.796 20 10 GDCDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCCSc1nccs1 ZINC000114374198 644641284 /nfs/dbraw/zinc/64/12/84/644641284.db2.gz WXCVCUIBCIYMPB-UHFFFAOYSA-N -1 1 377.495 1.937 20 10 GDCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000740705159 654671422 /nfs/dbraw/zinc/67/14/22/654671422.db2.gz INOOPRLBBFZTET-UHFFFAOYSA-N -1 1 382.463 1.942 20 10 GDCDMM CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC000753019643 654940772 /nfs/dbraw/zinc/94/07/72/654940772.db2.gz RKUMYROWAIYIGR-UHFFFAOYSA-N -1 1 392.405 1.722 20 10 GDCDMM O=C(NCCNC(=O)c1ccco1)NCc1cccc(Br)c1[O-] ZINC000764764133 655222599 /nfs/dbraw/zinc/22/25/99/655222599.db2.gz YCSXPQOHCQFGAX-UHFFFAOYSA-N -1 1 382.214 1.977 20 10 GDCDMM COc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1O ZINC000797820271 655249376 /nfs/dbraw/zinc/24/93/76/655249376.db2.gz OQDXNWDKMKRJRQ-UHFFFAOYSA-N -1 1 386.451 1.452 20 10 GDCDMM CN(C)c1ncncc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765925165 655252353 /nfs/dbraw/zinc/25/23/53/655252353.db2.gz DXYZSCZEMMHLKT-UHFFFAOYSA-N -1 1 394.229 1.266 20 10 GDCDMM CN(C1CCOCC1)S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766199490 655261210 /nfs/dbraw/zinc/26/12/10/655261210.db2.gz DEXAVLWRBJFGMU-UHFFFAOYSA-N -1 1 379.276 1.600 20 10 GDCDMM Cn1nnc2c1C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000927861655 656846433 /nfs/dbraw/zinc/84/64/33/656846433.db2.gz QLMGINIXSRWMQI-JTQLQIEISA-N -1 1 380.246 1.640 20 10 GDCDMM O=C([O-])/C=C/c1ccc(N2CCC(O)(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000844213174 979371939 /nfs/dbraw/zinc/37/19/39/979371939.db2.gz GRCIYQIOQHNBEL-DUXPYHPUSA-N -1 1 391.424 1.356 20 10 GDCDMM CN(C)c1ccc([C@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)N(C)C)cc1 ZINC001598314421 991297325 /nfs/dbraw/zinc/29/73/25/991297325.db2.gz RTPAMHNHLTVELJ-INIZCTEOSA-N -1 1 380.470 1.360 20 10 GDCDMM COCCn1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000277515853 531290086 /nfs/dbraw/zinc/29/00/86/531290086.db2.gz RUHRSNHJMXXANO-UHFFFAOYSA-N -1 1 390.259 1.476 20 10 GDCDMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(N2CCOCC2)cc1 ZINC000736117863 598998513 /nfs/dbraw/zinc/99/85/13/598998513.db2.gz HFJUKLSANFCSHY-ZDUSSCGKSA-N -1 1 379.424 1.589 20 10 GDCDMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(N2CCOCC2)cc1 ZINC000736117863 598998515 /nfs/dbraw/zinc/99/85/15/598998515.db2.gz HFJUKLSANFCSHY-ZDUSSCGKSA-N -1 1 379.424 1.589 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCC(CCC(=O)[O-])CC1)cc2=O ZINC000829889832 601844589 /nfs/dbraw/zinc/84/45/89/601844589.db2.gz GRGJLEHTMHBVOG-UHFFFAOYSA-N -1 1 376.413 1.688 20 10 GDCDMM Cc1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)c(C)o1 ZINC000776275502 654686592 /nfs/dbraw/zinc/68/65/92/654686592.db2.gz FFAAKQMUVIWEKA-UHFFFAOYSA-N -1 1 388.423 1.767 20 10 GDCDMM COc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000807058088 655077535 /nfs/dbraw/zinc/07/75/35/655077535.db2.gz LZJWJBGGVWJXIS-UHFFFAOYSA-N -1 1 380.198 1.813 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2c(c1)C(=O)NC2=O ZINC000765747474 655248622 /nfs/dbraw/zinc/24/86/22/655248622.db2.gz OHGZNYKIDAYXMY-UHFFFAOYSA-N -1 1 375.178 1.968 20 10 GDCDMM C[C@@H](C(=O)N(C)CC(=O)NCc1cccc(Br)c1[O-])n1cccn1 ZINC000765751264 655248705 /nfs/dbraw/zinc/24/87/05/655248705.db2.gz CTKIGSALOJMWCH-NSHDSACASA-N -1 1 395.257 1.687 20 10 GDCDMM O=C(CNC(=O)c1ccc(O)cc1)NCc1cccc(Br)c1[O-] ZINC000765945411 655253499 /nfs/dbraw/zinc/25/34/99/655253499.db2.gz WTZSGNVRHUOPLN-UHFFFAOYSA-N -1 1 379.210 1.907 20 10 GDCDMM COC(=O)c1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])c[nH]1 ZINC000766179058 655260789 /nfs/dbraw/zinc/26/07/89/655260789.db2.gz IXHQPZIEJFTAKD-UHFFFAOYSA-N -1 1 389.227 1.748 20 10 GDCDMM CNC(=O)c1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766201898 655261515 /nfs/dbraw/zinc/26/15/15/655261515.db2.gz WYNSFOKNBZWYTN-UHFFFAOYSA-N -1 1 399.266 1.993 20 10 GDCDMM COc1cc(N2CCN(C[C@H]3[C@H](C(=O)[O-])C3(F)F)CC2)cc(OC)c1OC ZINC001599427387 997700206 /nfs/dbraw/zinc/70/02/06/997700206.db2.gz PKXNJVKIBWXAJP-SWLSCSKDSA-N -1 1 386.395 1.800 20 10 GDCDMM O=S(=O)(CCCN1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000277424769 531280908 /nfs/dbraw/zinc/28/09/08/531280908.db2.gz BHQPPWNQCAGKAZ-UHFFFAOYSA-N -1 1 393.303 1.296 20 10 GDCDMM CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736558714 598261867 /nfs/dbraw/zinc/26/18/67/598261867.db2.gz QHIROWNKQMVRSG-UHFFFAOYSA-N -1 1 387.469 1.539 20 10 GDCDMM CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736558714 598261868 /nfs/dbraw/zinc/26/18/68/598261868.db2.gz QHIROWNKQMVRSG-UHFFFAOYSA-N -1 1 387.469 1.539 20 10 GDCDMM CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736779643 598688434 /nfs/dbraw/zinc/68/84/34/598688434.db2.gz KYZIVERZYJBEJN-UHFFFAOYSA-N -1 1 376.417 1.550 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)CCSCC(=O)[O-])cc2F)CC1 ZINC000737122140 599760669 /nfs/dbraw/zinc/76/06/69/599760669.db2.gz IKLSVRMWNKQXQG-UHFFFAOYSA-N -1 1 383.489 1.792 20 10 GDCDMM COc1ccc(N2CCN(C(=O)CN3CC[C@H](CN(C)C(=O)[O-])C3)CC2)cc1 ZINC000739907421 602531373 /nfs/dbraw/zinc/53/13/73/602531373.db2.gz CKCLMMVEHYPAMM-MRXNPFEDSA-N -1 1 390.484 1.276 20 10 GDCDMM COCCN1C(=O)C(=CNc2ccc(Br)cc2)C(=O)[N-]C1=S ZINC000920976756 660279430 /nfs/dbraw/zinc/27/94/30/660279430.db2.gz TZUBZXOVCRUAAP-DHZHZOJOSA-N -1 1 384.255 1.635 20 10 GDCDMM O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)NCc1nn[n-]n1 ZINC000732158519 654462227 /nfs/dbraw/zinc/46/22/27/654462227.db2.gz HUWNOEAWINWUQB-JXMROGBWSA-N -1 1 394.507 1.559 20 10 GDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nn2cc(Br)cn2)c1 ZINC000763236270 655189091 /nfs/dbraw/zinc/18/90/91/655189091.db2.gz VOYFBNMBJGCOBX-UHFFFAOYSA-N -1 1 375.204 1.107 20 10 GDCDMM O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1cccc(Br)c1[O-] ZINC000765734987 655247785 /nfs/dbraw/zinc/24/77/85/655247785.db2.gz BGFGSHANUJAUKU-UHFFFAOYSA-N -1 1 382.170 1.541 20 10 GDCDMM COC1CCN(S(=O)(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000849391001 655526227 /nfs/dbraw/zinc/52/62/27/655526227.db2.gz ZWQSKBVKWRWUNR-UHFFFAOYSA-N -1 1 379.276 1.600 20 10 GDCDMM CCN1C[C@H](S(=O)(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000867195600 656010703 /nfs/dbraw/zinc/01/07/03/656010703.db2.gz VILYOPGPUJVADJ-SNVBAGLBSA-N -1 1 377.260 1.195 20 10 GDCDMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000867497787 656071214 /nfs/dbraw/zinc/07/12/14/656071214.db2.gz TVWJKXXCFOBYKO-CYBMUJFWSA-N -1 1 375.516 1.616 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)C34CC(C(=O)[O-])(C3)C4)cc2F)CC1 ZINC000911350331 982374410 /nfs/dbraw/zinc/37/44/10/982374410.db2.gz CUIKBDLHUVDDHQ-UHFFFAOYSA-N -1 1 375.444 1.839 20 10 GDCDMM CN1CCN(c2ccc(CNC(=O)N[C@H]3C[C@H]4C[C@H](C(=O)[O-])C[C@H]43)cc2)CC1 ZINC001598624360 994061876 /nfs/dbraw/zinc/06/18/76/994061876.db2.gz MRBFFLSKRYGFMZ-JFRXWTBNSA-N -1 1 386.496 1.737 20 10 GDCDMM COc1cc(N2CCN(C[C@H]3[C@@H](C(=O)[O-])C3(F)F)CC2)cc(OC)c1OC ZINC001599427388 997700468 /nfs/dbraw/zinc/70/04/68/997700468.db2.gz PKXNJVKIBWXAJP-WFASDCNBSA-N -1 1 386.395 1.800 20 10 GDCDMM COC(=O)c1cn(C2CN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)nn1 ZINC001599005701 998852803 /nfs/dbraw/zinc/85/28/03/998852803.db2.gz DMJQIPYDZSVJBN-UHFFFAOYSA-N -1 1 382.376 1.679 20 10 GDCDMM CN(C)c1ncc(CNC(=O)NCc2cccc(Br)c2[O-])n1C ZINC000277334463 531273594 /nfs/dbraw/zinc/27/35/94/531273594.db2.gz FFYUYQBDFGFSCM-UHFFFAOYSA-N -1 1 382.262 1.954 20 10 GDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc3c(s2)C(=O)CCC3)c1 ZINC000265899159 531296895 /nfs/dbraw/zinc/29/68/95/531296895.db2.gz UELJLJINQYAISS-UHFFFAOYSA-N -1 1 381.435 1.992 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1COCCN1CC(F)F ZINC000277493074 531287750 /nfs/dbraw/zinc/28/77/50/531287750.db2.gz JQHCSJQUJJMPPR-LLVKDONJSA-N -1 1 379.201 1.737 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])c1cn(C[C@H]2CCOC2)nn1 ZINC000529174305 531381313 /nfs/dbraw/zinc/38/13/13/531381313.db2.gz XTGOYXUMORACKT-SNVBAGLBSA-N -1 1 381.230 1.713 20 10 GDCDMM CN1CCN(C[C@@H]2CN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CCO2)CC1 ZINC000737525940 600228483 /nfs/dbraw/zinc/22/84/83/600228483.db2.gz IHLZBVJIYFTGJE-LLCTXKFZSA-N -1 1 390.440 1.145 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H](NC(=O)[O-])C3)cc2F)CC1 ZINC000739454009 604600026 /nfs/dbraw/zinc/60/00/26/604600026.db2.gz CRCOXPSBEZUMIB-OAHLLOKOSA-N -1 1 393.463 1.519 20 10 GDCDMM COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(OC)c1C(=O)[O-] ZINC000833734451 604859186 /nfs/dbraw/zinc/85/91/86/604859186.db2.gz FPNVQPMNUHTNBP-UHFFFAOYSA-N -1 1 381.362 1.932 20 10 GDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cnn(CC(F)(F)F)c2)c1 ZINC000769882810 654489010 /nfs/dbraw/zinc/48/90/10/654489010.db2.gz TYSACYNSSZKGIJ-UHFFFAOYSA-N -1 1 378.332 1.775 20 10 GDCDMM CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cncc(F)c2)cc1C(=O)[O-] ZINC000728014526 654882176 /nfs/dbraw/zinc/88/21/76/654882176.db2.gz CPFCSNDZCGAYLF-UHFFFAOYSA-N -1 1 389.386 1.091 20 10 GDCDMM CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2SC)ccc1[O-] ZINC000790408291 655048187 /nfs/dbraw/zinc/04/81/87/655048187.db2.gz VHTWNDCKKFEMPE-UHFFFAOYSA-N -1 1 388.492 1.823 20 10 GDCDMM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000764798434 655223464 /nfs/dbraw/zinc/22/34/64/655223464.db2.gz SBSWSZVOBAVNBU-SUZMYJTESA-N -1 1 382.258 1.963 20 10 GDCDMM CN(C)c1ncc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765904854 655252184 /nfs/dbraw/zinc/25/21/84/655252184.db2.gz YOEZEPTWRNXDIQ-UHFFFAOYSA-N -1 1 394.229 1.266 20 10 GDCDMM O=C(NCCS(=O)(=O)C1CC1)NCc1cccc(Br)c1[O-] ZINC000840448505 655287773 /nfs/dbraw/zinc/28/77/73/655287773.db2.gz PDIMWIIXYFHKGW-UHFFFAOYSA-N -1 1 377.260 1.531 20 10 GDCDMM CNS(=O)(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000799539844 655293797 /nfs/dbraw/zinc/29/37/97/655293797.db2.gz CDDDYXUKLKAYSO-UHFFFAOYSA-N -1 1 387.395 1.009 20 10 GDCDMM CCc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])nn1C ZINC000817387489 655351013 /nfs/dbraw/zinc/35/10/13/655351013.db2.gz ROWHFISZGODLOQ-UHFFFAOYSA-N -1 1 381.230 1.706 20 10 GDCDMM COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3ncn(C)c3Cl)C2)cc1 ZINC000819890054 655397836 /nfs/dbraw/zinc/39/78/36/655397836.db2.gz LGSNSSUIGIOBBJ-LBPRGKRZSA-N -1 1 384.889 1.887 20 10 GDCDMM O=C1NC(=O)[C@]2(CCCN(Cc3cc(Cl)cc(Br)c3[O-])C2)N1 ZINC000894594150 658588652 /nfs/dbraw/zinc/58/86/52/658588652.db2.gz FQHSRSAKNKLBCZ-CQSZACIVSA-N -1 1 388.649 1.982 20 10 GDCDMM Cc1onc(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826343922 947997942 /nfs/dbraw/zinc/99/79/42/947997942.db2.gz QRSRAWSPDLCIJO-AWEZNQCLSA-N -1 1 398.423 1.619 20 10 GDCDMM Cc1onc(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826343922 947997945 /nfs/dbraw/zinc/99/79/45/947997945.db2.gz QRSRAWSPDLCIJO-AWEZNQCLSA-N -1 1 398.423 1.619 20 10 GDCDMM CC1(C(=O)NCCC2=CCN(c3nccnc3-c3nnn[n-]3)CC2)CC=CC1 ZINC001575597009 950398801 /nfs/dbraw/zinc/39/88/01/950398801.db2.gz WYPAXAZLAURCRJ-UHFFFAOYSA-N -1 1 380.456 1.656 20 10 GDCDMM CC1(C(=O)NCCC2=CCN(c3nccnc3-c3nn[n-]n3)CC2)CC=CC1 ZINC001575597009 950398826 /nfs/dbraw/zinc/39/88/26/950398826.db2.gz WYPAXAZLAURCRJ-UHFFFAOYSA-N -1 1 380.456 1.656 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)NC[C@@H](C)C(=O)[O-])CC2)cc1 ZINC000848575708 955749932 /nfs/dbraw/zinc/74/99/32/955749932.db2.gz VXEYPKXKSDGFJN-OAHLLOKOSA-N -1 1 378.473 1.227 20 10 GDCDMM Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001594565213 955840549 /nfs/dbraw/zinc/84/05/49/955840549.db2.gz ZKSWSYOAJDYOFE-CYBMUJFWSA-N -1 1 392.843 1.872 20 10 GDCDMM CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])C1 ZINC001591636107 992949019 /nfs/dbraw/zinc/94/90/19/992949019.db2.gz ZZPXJDUDTXQXDG-FPOVZHCZSA-N -1 1 399.491 1.844 20 10 GDCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])C1 ZINC001591636107 992949025 /nfs/dbraw/zinc/94/90/25/992949025.db2.gz ZZPXJDUDTXQXDG-FPOVZHCZSA-N -1 1 399.491 1.844 20 10 GDCDMM COC(=O)CSCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277383477 531278016 /nfs/dbraw/zinc/27/80/16/531278016.db2.gz IMNNUNSPFRUHMQ-UHFFFAOYSA-N -1 1 377.260 1.860 20 10 GDCDMM NC(=O)[C@@H]1CCCN(c2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2)C1 ZINC000737746371 599414809 /nfs/dbraw/zinc/41/48/09/599414809.db2.gz SNZFTAZHPCFJLX-CQSZACIVSA-N -1 1 378.440 1.576 20 10 GDCDMM NC(=O)[C@@H]1CCCN(c2ccc(CNc3cccc(-c4nn[n-]n4)n3)cc2)C1 ZINC000737746371 599414814 /nfs/dbraw/zinc/41/48/14/599414814.db2.gz SNZFTAZHPCFJLX-CQSZACIVSA-N -1 1 378.440 1.576 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)c3cccc(C(=O)[O-])n3)cc2F)CC1 ZINC000737122394 600076634 /nfs/dbraw/zinc/07/66/34/600076634.db2.gz JKTBKTGUKPSPDC-UHFFFAOYSA-N -1 1 386.427 1.991 20 10 GDCDMM CCN1CCN(c2ccc(CNS(=O)(=O)CCCC(=O)[O-])cc2F)CC1 ZINC000737122488 600498971 /nfs/dbraw/zinc/49/89/71/600498971.db2.gz KBCGMQZXOFKNQY-UHFFFAOYSA-N -1 1 387.477 1.252 20 10 GDCDMM COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826210029 607631964 /nfs/dbraw/zinc/63/19/64/607631964.db2.gz BHAPKVNTFIOFQM-SECBINFHSA-N -1 1 376.398 1.015 20 10 GDCDMM COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826210029 607631966 /nfs/dbraw/zinc/63/19/66/607631966.db2.gz BHAPKVNTFIOFQM-SECBINFHSA-N -1 1 376.398 1.015 20 10 GDCDMM COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826210327 607631985 /nfs/dbraw/zinc/63/19/85/607631985.db2.gz MXIIILNNVIOATO-SECBINFHSA-N -1 1 393.400 1.760 20 10 GDCDMM COCCN1C(=O)C(=CNc2cccc(Br)c2)C(=O)[N-]C1=S ZINC000920976846 660279474 /nfs/dbraw/zinc/27/94/74/660279474.db2.gz YCRPSDDPGDTGRJ-DHZHZOJOSA-N -1 1 384.255 1.635 20 10 GDCDMM C[S@](=O)Cc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000734555386 654536495 /nfs/dbraw/zinc/53/64/95/654536495.db2.gz QYTLUPVPISEPJR-DEOSSOPVSA-N -1 1 382.463 1.895 20 10 GDCDMM C[S@@](=O)Cc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000734555387 654536631 /nfs/dbraw/zinc/53/66/31/654536631.db2.gz QYTLUPVPISEPJR-XMMPIXPASA-N -1 1 382.463 1.895 20 10 GDCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000776434667 654689559 /nfs/dbraw/zinc/68/95/59/654689559.db2.gz JAOVAWGAAKWSLL-UHFFFAOYSA-N -1 1 384.753 1.979 20 10 GDCDMM O=C1C[C@H](S(=O)(=O)NCc2cccc(Br)c2[O-])CN1C1CC1 ZINC000867195430 656010782 /nfs/dbraw/zinc/01/07/82/656010782.db2.gz SOASCQFLXHDNAT-NSHDSACASA-N -1 1 389.271 1.337 20 10 GDCDMM C[C@@H](NCc1nnc2c(=O)n(C)ccn12)c1cc(Br)c(F)cc1[O-] ZINC000883335312 657282561 /nfs/dbraw/zinc/28/25/61/657282561.db2.gz QACHWEBVAQZXTQ-MRVPVSSYSA-N -1 1 396.220 1.886 20 10 GDCDMM COc1ccc(N2CCN(CC[N-]S(=O)(=O)c3ccns3)CC2)cc1 ZINC000885010935 657402347 /nfs/dbraw/zinc/40/23/47/657402347.db2.gz XTDPUGOSHINYTR-UHFFFAOYSA-N -1 1 382.511 1.252 20 10 GDCDMM CCS(=O)(=O)N1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000891756708 658269966 /nfs/dbraw/zinc/26/99/66/658269966.db2.gz SRQHENVHUPEXJL-UHFFFAOYSA-N -1 1 375.878 1.659 20 10 GDCDMM C[C@@H](C(=O)NCCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573705924 948410097 /nfs/dbraw/zinc/41/00/97/948410097.db2.gz HLZDKCJZSHGKPV-CYBMUJFWSA-N -1 1 382.472 1.736 20 10 GDCDMM C[C@@H](C(=O)NCCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573705924 948410101 /nfs/dbraw/zinc/41/01/01/948410101.db2.gz HLZDKCJZSHGKPV-CYBMUJFWSA-N -1 1 382.472 1.736 20 10 GDCDMM CN(C)c1ccc([C@@H](CNS(=O)(=O)c2scnc2C(=O)[O-])N(C)C)cc1 ZINC001598314586 991299720 /nfs/dbraw/zinc/29/97/20/991299720.db2.gz YYJIIWRJFTYQEB-CYBMUJFWSA-N -1 1 398.510 1.489 20 10 GDCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001591635076 992943186 /nfs/dbraw/zinc/94/31/86/992943186.db2.gz KQHLCXVYDYNOIX-OXJNMPFZSA-N -1 1 385.464 1.766 20 10 GDCDMM CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])C1 ZINC001591636109 992948972 /nfs/dbraw/zinc/94/89/72/992948972.db2.gz ZZPXJDUDTXQXDG-TZIWHRDSSA-N -1 1 399.491 1.844 20 10 GDCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])C1 ZINC001591636109 992948981 /nfs/dbraw/zinc/94/89/81/992948981.db2.gz ZZPXJDUDTXQXDG-TZIWHRDSSA-N -1 1 399.491 1.844 20 10 GDCDMM O=S(=O)([N-]c1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(F)cc1 ZINC000175684771 530669048 /nfs/dbraw/zinc/66/90/48/530669048.db2.gz SLLVGEAXQHLOPH-UHFFFAOYSA-N -1 1 384.454 1.861 20 10 GDCDMM CC(=O)c1cc(Cl)cc(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1[O-] ZINC000176989368 530695356 /nfs/dbraw/zinc/69/53/56/530695356.db2.gz OTCUNJIMSCDBNV-HNNXBMFYSA-N -1 1 386.901 1.553 20 10 GDCDMM C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2cccc(Br)c2[O-])C1=O ZINC000277406520 531278951 /nfs/dbraw/zinc/27/89/51/531278951.db2.gz BSKTUTYDNVKLIP-INIZCTEOSA-N -1 1 396.241 1.491 20 10 GDCDMM O=C(CCN1CCCS1(=O)=O)NCc1cccc(Br)c1[O-] ZINC000277567590 531293619 /nfs/dbraw/zinc/29/36/19/531293619.db2.gz QEJZWMZFDAWLNI-UHFFFAOYSA-N -1 1 377.260 1.197 20 10 GDCDMM COCCn1cc(CNC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000282937180 531812709 /nfs/dbraw/zinc/81/27/09/531812709.db2.gz UOWRQXBFHKCKAR-UHFFFAOYSA-N -1 1 383.246 1.997 20 10 GDCDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000738257759 599277157 /nfs/dbraw/zinc/27/71/57/599277157.db2.gz CYPDWZFMPKHGHR-HNNXBMFYSA-N -1 1 380.408 1.789 20 10 GDCDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000738257759 599277159 /nfs/dbraw/zinc/27/71/59/599277159.db2.gz CYPDWZFMPKHGHR-HNNXBMFYSA-N -1 1 380.408 1.789 20 10 GDCDMM COc1ccc(N2CCN(C(=O)CNC3(C(=O)[O-])CCCCC3)CC2)cc1 ZINC000738024040 600149282 /nfs/dbraw/zinc/14/92/82/600149282.db2.gz XOLYZAHHASABJM-UHFFFAOYSA-N -1 1 375.469 1.721 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)CN(CC3CC3)C(=O)[O-])cc2F)CC1 ZINC000827226924 602876281 /nfs/dbraw/zinc/87/62/81/602876281.db2.gz BJDHMYZSFUSJHK-UHFFFAOYSA-N -1 1 392.475 1.974 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000823628251 603594606 /nfs/dbraw/zinc/59/46/06/603594606.db2.gz NYYWGNOKIUGJNR-GOSISDBHSA-N -1 1 391.468 1.611 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)CC3CN(C(=O)[O-])C3)cc2F)CC1 ZINC000827226927 603766290 /nfs/dbraw/zinc/76/62/90/603766290.db2.gz BKPHEUXHGYJCHK-UHFFFAOYSA-N -1 1 378.448 1.584 20 10 GDCDMM CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC000833737912 605024836 /nfs/dbraw/zinc/02/48/36/605024836.db2.gz NKTFPZLEHHXLKZ-UHFFFAOYSA-N -1 1 390.377 1.591 20 10 GDCDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000797431103 655242140 /nfs/dbraw/zinc/24/21/40/655242140.db2.gz HMYDMOOVOJXQCU-UHFFFAOYSA-N -1 1 377.394 1.642 20 10 GDCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000840918641 655303950 /nfs/dbraw/zinc/30/39/50/655303950.db2.gz WOAJMUOJPYNUTR-UHFFFAOYSA-N -1 1 383.447 1.669 20 10 GDCDMM O=S(=O)([N-]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1c[nH]nc1Cl ZINC000841537281 655340812 /nfs/dbraw/zinc/34/08/12/655340812.db2.gz NERAGDNYXJLUBK-UHFFFAOYSA-N -1 1 392.815 1.656 20 10 GDCDMM CC(C)n1cnc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000845952510 655440027 /nfs/dbraw/zinc/44/00/27/655440027.db2.gz PWDSQKIDHLIAJT-UHFFFAOYSA-N -1 1 382.218 1.582 20 10 GDCDMM CC1=C(C(=O)NCc2cccc(Br)c2[O-])[C@H](C)n2nnnc2N1C ZINC000847931742 655479061 /nfs/dbraw/zinc/47/90/61/655479061.db2.gz UTSLIPFAAPPOJL-VIFPVBQESA-N -1 1 393.245 1.742 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000861332616 655819509 /nfs/dbraw/zinc/81/95/09/655819509.db2.gz IYFDPZQUTGECAK-LSSIXWDNSA-N -1 1 382.210 1.492 20 10 GDCDMM COC(=O)C1(CS(=O)(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000867195534 656010820 /nfs/dbraw/zinc/01/08/20/656010820.db2.gz UQJGPZZWAHNPLT-UHFFFAOYSA-N -1 1 378.244 1.527 20 10 GDCDMM CC[C@](C)(NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(=O)[O-] ZINC001594848625 982081259 /nfs/dbraw/zinc/08/12/59/982081259.db2.gz IMGOADDQONNBPA-JZKQVHKSSA-N -1 1 395.475 1.898 20 10 GDCDMM CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])C1 ZINC001591636106 992948763 /nfs/dbraw/zinc/94/87/63/992948763.db2.gz ZZPXJDUDTXQXDG-CTNGQTDRSA-N -1 1 399.491 1.844 20 10 GDCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])C1 ZINC001591636106 992948770 /nfs/dbraw/zinc/94/87/70/992948770.db2.gz ZZPXJDUDTXQXDG-CTNGQTDRSA-N -1 1 399.491 1.844 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)c3c[nH]c(C(=O)[O-])c3)CC2)cc1 ZINC001599585895 993612397 /nfs/dbraw/zinc/61/23/97/993612397.db2.gz ZBHOKGPVUDEYGH-UHFFFAOYSA-N -1 1 386.452 1.664 20 10 GDCDMM COc1ccc(O)c(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000737105917 598921704 /nfs/dbraw/zinc/92/17/04/598921704.db2.gz MRXNKCSBJQGKNZ-UHFFFAOYSA-N -1 1 398.423 1.547 20 10 GDCDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736819312 599019482 /nfs/dbraw/zinc/01/94/82/599019482.db2.gz JHTKVCQDQJXBSB-UHFFFAOYSA-N -1 1 379.424 1.371 20 10 GDCDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736819312 599019484 /nfs/dbraw/zinc/01/94/84/599019484.db2.gz JHTKVCQDQJXBSB-UHFFFAOYSA-N -1 1 379.424 1.371 20 10 GDCDMM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738104115 599107130 /nfs/dbraw/zinc/10/71/30/599107130.db2.gz TXHYKCZSJYBWFJ-UHFFFAOYSA-N -1 1 397.414 1.292 20 10 GDCDMM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738104115 599107134 /nfs/dbraw/zinc/10/71/34/599107134.db2.gz TXHYKCZSJYBWFJ-UHFFFAOYSA-N -1 1 397.414 1.292 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)c3ccc(C(=O)[O-])cn3)cc2F)CC1 ZINC000737123340 600076622 /nfs/dbraw/zinc/07/66/22/600076622.db2.gz SMGQBKYXIPMUKO-UHFFFAOYSA-N -1 1 386.427 1.991 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000825942010 601813781 /nfs/dbraw/zinc/81/37/81/601813781.db2.gz IYLJARZBHNDDHJ-FZKQIMNGSA-N -1 1 376.453 1.580 20 10 GDCDMM COc1ccc(N2CCN(C(=O)CN3CC[C@@H](CN(C)C(=O)[O-])C3)CC2)cc1 ZINC000739907419 602531348 /nfs/dbraw/zinc/53/13/48/602531348.db2.gz CKCLMMVEHYPAMM-INIZCTEOSA-N -1 1 390.484 1.276 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N3CCN(C(=O)[O-])CC3)cc2F)CC1 ZINC000737122145 602717254 /nfs/dbraw/zinc/71/72/54/602717254.db2.gz IQGMIMOUKJAEJK-UHFFFAOYSA-N -1 1 393.463 1.473 20 10 GDCDMM COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826210328 607631798 /nfs/dbraw/zinc/63/17/98/607631798.db2.gz MXIIILNNVIOATO-VIFPVBQESA-N -1 1 393.400 1.760 20 10 GDCDMM Cn1c(=O)c(-c2nn[n-]n2)c(Sc2ncc(C(C)(C)C)s2)n(C)c1=O ZINC000822604990 607119228 /nfs/dbraw/zinc/11/92/28/607119228.db2.gz TWCGGBLKNIEGBV-UHFFFAOYSA-N -1 1 379.471 1.169 20 10 GDCDMM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(C3=S=CC=C3)n2)cc1 ZINC000917128243 660206763 /nfs/dbraw/zinc/20/67/63/660206763.db2.gz OBSKCKKKAPAFLN-UHFFFAOYSA-N -1 1 376.463 1.865 20 10 GDCDMM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(C3=S=CC=C3)n[n-]2)cc1 ZINC000917128243 660206765 /nfs/dbraw/zinc/20/67/65/660206765.db2.gz OBSKCKKKAPAFLN-UHFFFAOYSA-N -1 1 376.463 1.865 20 10 GDCDMM CCn1cc(S(=O)(=O)[N-]CCCSc2nccs2)c([N+](=O)[O-])n1 ZINC000772651269 654567091 /nfs/dbraw/zinc/56/70/91/654567091.db2.gz UGEQBHCILUJWLA-UHFFFAOYSA-N -1 1 377.473 1.728 20 10 GDCDMM CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(C)sc2C)ccc1[O-] ZINC000790404032 655047914 /nfs/dbraw/zinc/04/79/14/655047914.db2.gz COEPYCOMNYBWMA-UHFFFAOYSA-N -1 1 376.481 1.779 20 10 GDCDMM C[C@@](O)(Cn1ccccc1=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000790964629 655062633 /nfs/dbraw/zinc/06/26/33/655062633.db2.gz RYGYMUNGJUNLLG-MRXNPFEDSA-N -1 1 381.226 1.384 20 10 GDCDMM O=C(CNC(=O)NCc1ccco1)NCc1cccc(Br)c1[O-] ZINC000765732875 655247677 /nfs/dbraw/zinc/24/76/77/655247677.db2.gz UGBMRVWYXKVNNM-UHFFFAOYSA-N -1 1 382.214 1.863 20 10 GDCDMM Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn(C)c1=O ZINC000765928227 655252649 /nfs/dbraw/zinc/25/26/49/655252649.db2.gz WSQKBINJDKHVLY-UHFFFAOYSA-N -1 1 394.225 1.417 20 10 GDCDMM CN1C(=S)N=NC1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000820279074 655407217 /nfs/dbraw/zinc/40/72/17/655407217.db2.gz PKLOGACCVYUSIX-UHFFFAOYSA-N -1 1 386.275 1.614 20 10 GDCDMM CN(C)[S@](C)(=O)=NS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000882131577 657050213 /nfs/dbraw/zinc/05/02/13/657050213.db2.gz IJPWEHDOPGILRN-LJQANCHMSA-N -1 1 386.293 1.064 20 10 GDCDMM Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCc1cccc(Br)c1[O-] ZINC000281292031 531602481 /nfs/dbraw/zinc/60/24/81/531602481.db2.gz SQUPUKBECAVLNB-KRWDZBQOSA-N -1 1 395.253 1.692 20 10 GDCDMM CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736772958 599033054 /nfs/dbraw/zinc/03/30/54/599033054.db2.gz ILCWHHVDXNSKKF-UHFFFAOYSA-N -1 1 390.444 1.893 20 10 GDCDMM CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736772958 599033056 /nfs/dbraw/zinc/03/30/56/599033056.db2.gz ILCWHHVDXNSKKF-UHFFFAOYSA-N -1 1 390.444 1.893 20 10 GDCDMM O=C([O-])C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1cc(Cl)ccc1[O-] ZINC000739786484 600953779 /nfs/dbraw/zinc/95/37/79/600953779.db2.gz ZNOOMZSVIGNAOS-UHFFFAOYSA-N -1 1 395.843 1.797 20 10 GDCDMM O=C([O-])C[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1cc(Cl)ccc1[O-] ZINC000739786484 600953780 /nfs/dbraw/zinc/95/37/80/600953780.db2.gz ZNOOMZSVIGNAOS-UHFFFAOYSA-N -1 1 395.843 1.797 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N3C[C@H](C)[C@H](C(=O)[O-])C3)cc2F)CC1 ZINC000829781073 601500163 /nfs/dbraw/zinc/50/01/63/601500163.db2.gz PZOSXEGKAIOHQI-GOEBONIOSA-N -1 1 392.475 1.830 20 10 GDCDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000066001539 644539172 /nfs/dbraw/zinc/53/91/72/644539172.db2.gz XQEBZWMEVMCCFL-UHFFFAOYSA-N -1 1 383.451 1.971 20 10 GDCDMM CCCCS(=O)(=O)NCC(=O)NCc1cccc(Br)c1[O-] ZINC000765766900 655249248 /nfs/dbraw/zinc/24/92/48/655249248.db2.gz DKWHNDKOSZEOEA-UHFFFAOYSA-N -1 1 379.276 1.490 20 10 GDCDMM CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cc(C)cc(Br)c3[O-])C[C@H]21 ZINC000827390612 655510428 /nfs/dbraw/zinc/51/04/28/655510428.db2.gz YCRDOXJXQJSNME-YUTCNCBUSA-N -1 1 390.299 1.707 20 10 GDCDMM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000890502145 658120766 /nfs/dbraw/zinc/12/07/66/658120766.db2.gz MVXFHANYYONJSU-KCJUWKMLSA-N -1 1 377.260 1.387 20 10 GDCDMM O=C(NCc1cccc(Cl)c1[O-])NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000893545934 658419756 /nfs/dbraw/zinc/41/97/56/658419756.db2.gz YBZNNBCWENFTDW-UHFFFAOYSA-N -1 1 387.889 1.801 20 10 GDCDMM Cc1onc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1-c1nnn[n-]1 ZINC000826345363 948022596 /nfs/dbraw/zinc/02/25/96/948022596.db2.gz JZCNABDPRNVFTC-GFCCVEGCSA-N -1 1 397.439 1.420 20 10 GDCDMM Cc1onc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1-c1nn[n-]n1 ZINC000826345363 948022607 /nfs/dbraw/zinc/02/26/07/948022607.db2.gz JZCNABDPRNVFTC-GFCCVEGCSA-N -1 1 397.439 1.420 20 10 GDCDMM CC(C)[C@H](NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(=O)[O-] ZINC001589402256 954443085 /nfs/dbraw/zinc/44/30/85/954443085.db2.gz CQUNGENEADGMEX-NJSLBKSFSA-N -1 1 395.475 1.754 20 10 GDCDMM CN1CCN(c2ccc(CNC(=O)C3(CC(=O)[O-])CCOCC3)cc2)CC1 ZINC001593786892 954709428 /nfs/dbraw/zinc/70/94/28/954709428.db2.gz ISUOIYSIZKYZSR-UHFFFAOYSA-N -1 1 375.469 1.326 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)N(C)C[C@@H](C)C(=O)[O-])CC2)cc1 ZINC001594101568 958440354 /nfs/dbraw/zinc/44/03/54/958440354.db2.gz HXBDHIZEDIMCIN-MRXNPFEDSA-N -1 1 392.500 1.569 20 10 GDCDMM CC[C@@](C)(NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(=O)[O-] ZINC001594848626 982081083 /nfs/dbraw/zinc/08/10/83/982081083.db2.gz IMGOADDQONNBPA-LAPQFRIASA-N -1 1 395.475 1.898 20 10 GDCDMM CN1CCN(c2ccc(CNC(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)cc2)CC1 ZINC001598622329 994022039 /nfs/dbraw/zinc/02/20/39/994022039.db2.gz CJSADUNPWGQGLG-FUHWJXTLSA-N -1 1 375.469 1.325 20 10 GDCDMM CN1CCN(c2ccc(CNS(=O)(=O)c3occc3C(=O)[O-])cc2)CC1 ZINC001598624367 994061608 /nfs/dbraw/zinc/06/16/08/994061608.db2.gz NCYZDPVEOLCNPC-UHFFFAOYSA-N -1 1 379.438 1.208 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])c1cn(C[C@@H]2CCOC2)nn1 ZINC000529174303 531380868 /nfs/dbraw/zinc/38/08/68/531380868.db2.gz XTGOYXUMORACKT-JTQLQIEISA-N -1 1 381.230 1.713 20 10 GDCDMM CC1=c2c(nc(C(Cl)=Cc3cccc4nccn43)[nH]c2=O)=S=C1C(=O)[O-] ZINC000832853290 604841625 /nfs/dbraw/zinc/84/16/25/604841625.db2.gz UIWPUQJQENYYFP-JXMROGBWSA-N -1 1 386.820 1.992 20 10 GDCDMM COCCN1C(=O)C(=CNc2ccccc2Br)C(=O)[N-]C1=S ZINC000920976653 660279480 /nfs/dbraw/zinc/27/94/80/660279480.db2.gz NQVFENMCKZFLPX-CMDGGOBGSA-N -1 1 384.255 1.635 20 10 GDCDMM Cc1cc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)ccc1O ZINC000771220789 654533200 /nfs/dbraw/zinc/53/32/00/654533200.db2.gz ZKVCARWKNFUMBU-UHFFFAOYSA-N -1 1 382.463 1.942 20 10 GDCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1OC ZINC000795303400 655170443 /nfs/dbraw/zinc/17/04/43/655170443.db2.gz FPRPMKGTEQCWOO-UHFFFAOYSA-N -1 1 385.467 1.961 20 10 GDCDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000797432650 655242615 /nfs/dbraw/zinc/24/26/15/655242615.db2.gz MJEQYRNNBPMILM-UHFFFAOYSA-N -1 1 376.847 1.412 20 10 GDCDMM NC(=O)COc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765728482 655247494 /nfs/dbraw/zinc/24/74/94/655247494.db2.gz TZPKDDRFSGLVRG-UHFFFAOYSA-N -1 1 379.210 1.949 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc2c(c1)NC(=O)CO2 ZINC000765765171 655248978 /nfs/dbraw/zinc/24/89/78/655248978.db2.gz OSXCBXFCVAEHEJ-UHFFFAOYSA-N -1 1 378.182 1.811 20 10 GDCDMM O=C(CNC(=O)c1cccc(O)c1)NCc1cccc(Br)c1[O-] ZINC000765769464 655249263 /nfs/dbraw/zinc/24/92/63/655249263.db2.gz MBOZDXKDJBHQFV-UHFFFAOYSA-N -1 1 379.210 1.907 20 10 GDCDMM COc1ccncc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765925506 655252682 /nfs/dbraw/zinc/25/26/82/655252682.db2.gz HBVZLQLTLIBYLB-UHFFFAOYSA-N -1 1 380.198 1.813 20 10 GDCDMM CS(=O)(=O)[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000883919784 657315839 /nfs/dbraw/zinc/31/58/39/657315839.db2.gz BCRAQOFILXJZEO-MGCOHNPYSA-N -1 1 377.260 1.530 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCS(=O)(=O)C1 ZINC000278290781 531349605 /nfs/dbraw/zinc/34/96/05/531349605.db2.gz GUXZTFVSKFYBND-SECBINFHSA-N -1 1 377.260 1.389 20 10 GDCDMM C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CCC(=O)[O-])cc2F)C[C@H](C)O1 ZINC000737758894 596994443 /nfs/dbraw/zinc/99/44/43/596994443.db2.gz UFSOMJQDDHGBNP-OKILXGFUSA-N -1 1 381.448 1.462 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@H](N(C)C(=O)[O-])C2)c1 ZINC000823628469 603916743 /nfs/dbraw/zinc/91/67/43/603916743.db2.gz RHBPNEAQCLVDAS-SFHVURJKSA-N -1 1 391.468 1.611 20 10 GDCDMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000820379340 606167567 /nfs/dbraw/zinc/16/75/67/606167567.db2.gz AWIWJYMFGXFTSY-LBPRGKRZSA-N -1 1 397.443 1.320 20 10 GDCDMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(N2CCOCC2)cc1 ZINC000820379340 606167568 /nfs/dbraw/zinc/16/75/68/606167568.db2.gz AWIWJYMFGXFTSY-LBPRGKRZSA-N -1 1 397.443 1.320 20 10 GDCDMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1 ZINC000776748863 654707146 /nfs/dbraw/zinc/70/71/46/654707146.db2.gz MLJAHVATNZFIKB-UHFFFAOYSA-N -1 1 376.843 1.755 20 10 GDCDMM C[C@@H](CCS(C)(=O)=O)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764796510 655223408 /nfs/dbraw/zinc/22/34/08/655223408.db2.gz FPJHGCCSKCBYLK-VIFPVBQESA-N -1 1 379.276 1.777 20 10 GDCDMM COc1cc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1O ZINC000797820345 655249432 /nfs/dbraw/zinc/24/94/32/655249432.db2.gz SLFLYCRLYMJGKS-UHFFFAOYSA-N -1 1 386.451 1.452 20 10 GDCDMM CCn1ncc(C)c1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000850441159 655555211 /nfs/dbraw/zinc/55/52/11/655555211.db2.gz PFFBTAAXPUYBGG-UHFFFAOYSA-N -1 1 381.230 1.934 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(N2CCOCC2)n1 ZINC000861332551 655819530 /nfs/dbraw/zinc/81/95/30/655819530.db2.gz HCNZSPDHQNPLCJ-UHFFFAOYSA-N -1 1 393.241 1.711 20 10 GDCDMM Cc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)ccc1O ZINC000269354225 531651373 /nfs/dbraw/zinc/65/13/73/531651373.db2.gz SVWDAQYGRMGCAR-UHFFFAOYSA-N -1 1 382.463 1.942 20 10 GDCDMM CN(C)S(=O)(=O)N1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000367957059 531881050 /nfs/dbraw/zinc/88/10/50/531881050.db2.gz OMVFEIQRAUPDMZ-UHFFFAOYSA-N -1 1 392.865 1.268 20 10 GDCDMM O=C([O-])C1(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000739309943 600320418 /nfs/dbraw/zinc/32/04/18/600320418.db2.gz WFVKYFJRYUUYSH-UHFFFAOYSA-N -1 1 393.459 1.656 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000825942364 601887674 /nfs/dbraw/zinc/88/76/74/601887674.db2.gz UMGZAHQJTABIKE-FQEVSTJZSA-N -1 1 376.453 1.724 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCN(C(=O)[O-])C3)cc2F)CC1 ZINC000737854507 602727598 /nfs/dbraw/zinc/72/75/98/602727598.db2.gz UUQKVDCHQDAMBQ-INIZCTEOSA-N -1 1 392.475 1.974 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](NC(=O)[O-])[C@H](C)C1)cc2=O ZINC000739482241 602763503 /nfs/dbraw/zinc/76/35/03/602763503.db2.gz NQFRPUXXPUWDQA-MFKMUULPSA-N -1 1 377.401 1.090 20 10 GDCDMM COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3CN(C)C(=O)[O-])CC2)cc1 ZINC000829423365 604100365 /nfs/dbraw/zinc/10/03/65/604100365.db2.gz FJZNONYWLHQISA-KRWDZBQOSA-N -1 1 390.484 1.418 20 10 GDCDMM CN(C)c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825930127 608408304 /nfs/dbraw/zinc/40/83/04/608408304.db2.gz QALBLLNYOVISRQ-UHFFFAOYSA-N -1 1 398.475 1.012 20 10 GDCDMM CN(C)c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825930127 608408305 /nfs/dbraw/zinc/40/83/05/608408305.db2.gz QALBLLNYOVISRQ-UHFFFAOYSA-N -1 1 398.475 1.012 20 10 GDCDMM O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916617537 660196895 /nfs/dbraw/zinc/19/68/95/660196895.db2.gz CTTLFXAMDYNLJQ-UHFFFAOYSA-N -1 1 398.165 1.609 20 10 GDCDMM COC(=O)c1cc(Br)ccc1NC=C1C(=O)[N-]C(=S)NC1=O ZINC000920978795 660279630 /nfs/dbraw/zinc/27/96/30/660279630.db2.gz IOPRKXRCFJVYJE-UHFFFAOYSA-N -1 1 384.211 1.062 20 10 GDCDMM Cc1nc(S(=O)(=O)[N-]Cc2c(O)cccc2F)c(Br)n1C ZINC000921452355 660301398 /nfs/dbraw/zinc/30/13/98/660301398.db2.gz MMAHFTWMZVIMNK-UHFFFAOYSA-N -1 1 378.223 1.814 20 10 GDCDMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000776750343 654707155 /nfs/dbraw/zinc/70/71/55/654707155.db2.gz ATTQWOUSPHNNBK-UHFFFAOYSA-N -1 1 376.843 1.755 20 10 GDCDMM CCN(Cc1cc(Br)ccc1O)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000743809527 654720721 /nfs/dbraw/zinc/72/07/21/654720721.db2.gz YTDBEHFOZYZWPK-UHFFFAOYSA-N -1 1 396.241 1.444 20 10 GDCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccnn2CC)c(F)c1 ZINC000830150285 654931716 /nfs/dbraw/zinc/93/17/16/654931716.db2.gz IECGQLQNGIKTJO-UHFFFAOYSA-N -1 1 390.462 1.995 20 10 GDCDMM COCCCn1nc(C(=O)NCc2cccc(Br)c2[O-])ccc1=O ZINC000834476369 655069520 /nfs/dbraw/zinc/06/95/20/655069520.db2.gz WNKXMMKXSGVCCN-UHFFFAOYSA-N -1 1 396.241 1.678 20 10 GDCDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(Br)ccc1O ZINC000796190590 655206250 /nfs/dbraw/zinc/20/62/50/655206250.db2.gz JVJMACFJLDOOIP-UHFFFAOYSA-N -1 1 388.199 1.936 20 10 GDCDMM O=C(Cn1nnc2ccccc2c1=O)NCc1cccc(Br)c1[O-] ZINC000765729049 655247397 /nfs/dbraw/zinc/24/73/97/655247397.db2.gz YCXWLWBNNQJMDY-UHFFFAOYSA-N -1 1 389.209 1.576 20 10 GDCDMM NS(=O)(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765752578 655248785 /nfs/dbraw/zinc/24/87/85/655248785.db2.gz XTURCIOHJMYKJV-UHFFFAOYSA-N -1 1 391.268 1.794 20 10 GDCDMM COCCN1C(=O)C(=CNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[N-]C1=S ZINC000814295997 655260989 /nfs/dbraw/zinc/26/09/89/655260989.db2.gz NCHDJKNJWNMZEU-VQHVLOKHSA-N -1 1 384.801 1.434 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1C[C@H](O)CN1c1ccncn1 ZINC000822458541 655445677 /nfs/dbraw/zinc/44/56/77/655445677.db2.gz JDUNYFXMQBPBST-WCQYABFASA-N -1 1 393.241 1.201 20 10 GDCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cnc(C)n2C)c(F)c1 ZINC000863410499 655869756 /nfs/dbraw/zinc/86/97/56/655869756.db2.gz DZTWVQSQNAWNIG-UHFFFAOYSA-N -1 1 390.462 1.820 20 10 GDCDMM COc1cc(Cl)cc(CN2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1O ZINC000844933786 955683290 /nfs/dbraw/zinc/68/32/90/955683290.db2.gz HWTKJMDTWHGZTE-LBPRGKRZSA-N -1 1 382.844 1.952 20 10 GDCDMM COc1ccc(N2CCC(NS(=O)(=O)c3cc(C(=O)[O-])no3)CC2)cc1 ZINC001599586160 993616224 /nfs/dbraw/zinc/61/62/24/993616224.db2.gz MGMPNTQWCBGVCX-UHFFFAOYSA-N -1 1 381.410 1.329 20 10 GDCDMM CN1CCN(c2ccc(CNS(=O)(=O)c3ccc(C(=O)[O-])nc3)cc2)CC1 ZINC001598623983 994055471 /nfs/dbraw/zinc/05/54/71/994055471.db2.gz ATIKXCDSRNXDCQ-UHFFFAOYSA-N -1 1 390.465 1.010 20 10 GDCDMM CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000066638118 530765564 /nfs/dbraw/zinc/76/55/64/530765564.db2.gz GQOVUYSSVYCRFP-UHFFFAOYSA-N -1 1 383.455 1.283 20 10 GDCDMM CCNC(=O)N1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277332381 531273951 /nfs/dbraw/zinc/27/39/51/531273951.db2.gz FEMKXYJAHOGVKK-LLVKDONJSA-N -1 1 385.262 1.758 20 10 GDCDMM CCc1nn(C)cc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000277586313 531295861 /nfs/dbraw/zinc/29/58/61/531295861.db2.gz VEQAPWWXFMOHQN-UHFFFAOYSA-N -1 1 381.230 1.706 20 10 GDCDMM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738103281 599107098 /nfs/dbraw/zinc/10/70/98/599107098.db2.gz HESILYJMKKXUGS-UHFFFAOYSA-N -1 1 393.451 1.400 20 10 GDCDMM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738103281 599107102 /nfs/dbraw/zinc/10/71/02/599107102.db2.gz HESILYJMKKXUGS-UHFFFAOYSA-N -1 1 393.451 1.400 20 10 GDCDMM O=C([O-])C[N@H+](CCn1nc2ccccn2c1=O)Cc1cc(Cl)ccc1[O-] ZINC000739793282 600144781 /nfs/dbraw/zinc/14/47/81/600144781.db2.gz DNBAEXKOUSXYQP-UHFFFAOYSA-N -1 1 376.800 1.442 20 10 GDCDMM O=C([O-])C[N@@H+](CCn1nc2ccccn2c1=O)Cc1cc(Cl)ccc1[O-] ZINC000739793282 600144784 /nfs/dbraw/zinc/14/47/84/600144784.db2.gz DNBAEXKOUSXYQP-UHFFFAOYSA-N -1 1 376.800 1.442 20 10 GDCDMM O=C([O-])Nc1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 ZINC000832841734 603553871 /nfs/dbraw/zinc/55/38/71/603553871.db2.gz FDEOEABSAQIVOC-UHFFFAOYSA-N -1 1 390.465 1.696 20 10 GDCDMM COc1ccc(O)c(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826210027 607637771 /nfs/dbraw/zinc/63/77/71/607637771.db2.gz BCAIASKKFKODRG-UHFFFAOYSA-N -1 1 395.828 1.713 20 10 GDCDMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000820379339 606167717 /nfs/dbraw/zinc/16/77/17/606167717.db2.gz AWIWJYMFGXFTSY-GFCCVEGCSA-N -1 1 397.443 1.320 20 10 GDCDMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(N2CCOCC2)cc1 ZINC000820379339 606167718 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CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1[O-] ZINC000790406128 655047819 /nfs/dbraw/zinc/04/78/19/655047819.db2.gz CRSRVWVZQZBIKE-UHFFFAOYSA-N -1 1 396.368 1.518 20 10 GDCDMM COC(=O)Cn1ccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765294276 655237535 /nfs/dbraw/zinc/23/75/35/655237535.db2.gz PGEUOSRCJFNCEE-UHFFFAOYSA-N -1 1 383.202 1.846 20 10 GDCDMM CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760286 658149298 /nfs/dbraw/zinc/14/92/98/658149298.db2.gz NJFWMZQGZCENSO-LBPRGKRZSA-N -1 1 380.919 1.723 20 10 GDCDMM NS(=O)(=O)C[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000897053048 658821042 /nfs/dbraw/zinc/82/10/42/658821042.db2.gz QOWIYIDCDQZBDK-QMMMGPOBSA-N -1 1 383.695 1.919 20 10 GDCDMM COC(=O)C1CC2(C1)C[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@H]2C(=O)[O-] ZINC001593823885 955068737 /nfs/dbraw/zinc/06/87/37/955068737.db2.gz GUFOSMNCJMPHAK-IHBYNMNLSA-N -1 1 379.384 1.820 20 10 GDCDMM COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@H]2C(=O)[O-] ZINC001593823885 955068746 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NYYWGNOKIUGJNR-SFHVURJKSA-N -1 1 391.468 1.611 20 10 GDCDMM Cc1nnc(SCC(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)[nH]1 ZINC000830679303 603855272 /nfs/dbraw/zinc/85/52/72/603855272.db2.gz UPUAUQJPSBFBEA-CYBMUJFWSA-N -1 1 378.458 1.396 20 10 GDCDMM Cc1n[nH]c(SCC(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)n1 ZINC000830679303 603855275 /nfs/dbraw/zinc/85/52/75/603855275.db2.gz UPUAUQJPSBFBEA-CYBMUJFWSA-N -1 1 378.458 1.396 20 10 GDCDMM COc1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1F ZINC000821831593 606624969 /nfs/dbraw/zinc/62/49/69/606624969.db2.gz FDFGVGJSRYRKLB-UHFFFAOYSA-N -1 1 383.387 1.372 20 10 GDCDMM COc1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1F ZINC000821831593 606624970 /nfs/dbraw/zinc/62/49/70/606624970.db2.gz FDFGVGJSRYRKLB-UHFFFAOYSA-N -1 1 383.387 1.372 20 10 GDCDMM COc1ccc(N2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1 ZINC000821831465 606701283 /nfs/dbraw/zinc/70/12/83/606701283.db2.gz AFYSKDARJZGRLM-UHFFFAOYSA-N -1 1 396.411 1.895 20 10 GDCDMM COc1ccc(N2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000821831465 606701284 /nfs/dbraw/zinc/70/12/84/606701284.db2.gz AFYSKDARJZGRLM-UHFFFAOYSA-N -1 1 396.411 1.895 20 10 GDCDMM COCCN1C(=O)C(=CNc2cc(C)c(Cl)cc2OC)C(=O)[N-]C1=S ZINC000920975941 660279463 /nfs/dbraw/zinc/27/94/63/660279463.db2.gz DMBRLDANUHHOKZ-CSKARUKUSA-N -1 1 383.857 1.843 20 10 GDCDMM CCN(CC)S(=O)(=O)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765748631 655248543 /nfs/dbraw/zinc/24/85/43/655248543.db2.gz YJGBEZKLNFXBJT-UHFFFAOYSA-N -1 1 379.276 1.443 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000765768344 655249272 /nfs/dbraw/zinc/24/92/72/655249272.db2.gz IUJRPIBJGZBMOV-JTQLQIEISA-N -1 1 379.214 1.547 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000765768349 655249306 /nfs/dbraw/zinc/24/93/06/655249306.db2.gz IUJRPIBJGZBMOV-SNVBAGLBSA-N -1 1 379.214 1.547 20 10 GDCDMM NS(=O)(=O)C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000897053047 658821325 /nfs/dbraw/zinc/82/13/25/658821325.db2.gz QOWIYIDCDQZBDK-MRVPVSSYSA-N -1 1 383.695 1.919 20 10 GDCDMM COc1ccc(N2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000826209532 947611614 /nfs/dbraw/zinc/61/16/14/947611614.db2.gz GUSQDYGRZRDMCV-UHFFFAOYSA-N -1 1 383.412 1.063 20 10 GDCDMM COc1ccc(N2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000826209532 947611618 /nfs/dbraw/zinc/61/16/18/947611618.db2.gz GUSQDYGRZRDMCV-UHFFFAOYSA-N -1 1 383.412 1.063 20 10 GDCDMM CS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000529173449 531381132 /nfs/dbraw/zinc/38/11/32/531381132.db2.gz URNYLHOJZJMPDW-NSHDSACASA-N -1 1 391.287 1.443 20 10 GDCDMM C[C@H](CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])[NH+](C)C ZINC000267492073 531429245 /nfs/dbraw/zinc/42/92/45/531429245.db2.gz GGVJYLZRESSOOC-LLVKDONJSA-N -1 1 383.495 1.934 20 10 GDCDMM CC[N@H+](C)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000267495726 531429299 /nfs/dbraw/zinc/42/92/99/531429299.db2.gz HGOYMIPVLZDTAN-UHFFFAOYSA-N -1 1 383.495 1.936 20 10 GDCDMM CC[N@@H+](C)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000267495726 531429301 /nfs/dbraw/zinc/42/93/01/531429301.db2.gz HGOYMIPVLZDTAN-UHFFFAOYSA-N -1 1 383.495 1.936 20 10 GDCDMM Cc1cc(S(=O)(=O)NCCNC(=O)c2c(F)ccc(O)c2[O-])c(C)s1 ZINC000295488267 531586765 /nfs/dbraw/zinc/58/67/65/531586765.db2.gz QBDWOCWONRFMRG-UHFFFAOYSA-N -1 1 388.442 1.624 20 10 GDCDMM COC(=O)CN(CCN1CCN(C)CC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000281315838 531604287 /nfs/dbraw/zinc/60/42/87/531604287.db2.gz QVMXOAIDXLAQNT-UHFFFAOYSA-N -1 1 390.311 1.921 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)c3ccnc(C(=O)[O-])c3)cc2F)CC1 ZINC000829781163 601285169 /nfs/dbraw/zinc/28/51/69/601285169.db2.gz QJYGKDAKOPPNHO-UHFFFAOYSA-N -1 1 386.427 1.991 20 10 GDCDMM COc1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1O ZINC000826216367 607632635 /nfs/dbraw/zinc/63/26/35/607632635.db2.gz VXPXICWMYFGILK-UHFFFAOYSA-N -1 1 395.828 1.713 20 10 GDCDMM COc1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1O ZINC000826216367 607632636 /nfs/dbraw/zinc/63/26/36/607632636.db2.gz VXPXICWMYFGILK-UHFFFAOYSA-N -1 1 395.828 1.713 20 10 GDCDMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000826424791 608014466 /nfs/dbraw/zinc/01/44/66/608014466.db2.gz CWODBDLZTQGJEQ-UHFFFAOYSA-N -1 1 399.370 1.477 20 10 GDCDMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000826424791 608014467 /nfs/dbraw/zinc/01/44/67/608014467.db2.gz CWODBDLZTQGJEQ-UHFFFAOYSA-N -1 1 399.370 1.477 20 10 GDCDMM Cc1oc(C(=O)NCc2cccc(Br)c2[O-])cc1S(N)(=O)=O ZINC000765727825 655247375 /nfs/dbraw/zinc/24/73/75/655247375.db2.gz PIMPDQIWGAVWDT-UHFFFAOYSA-N -1 1 389.227 1.634 20 10 GDCDMM NS(=O)(=O)Cc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765727911 655247498 /nfs/dbraw/zinc/24/74/98/655247498.db2.gz RANWJMMZZNMIKT-UHFFFAOYSA-N -1 1 399.266 1.873 20 10 GDCDMM O=C(Cc1ccc(-n2cnnn2)cc1)NCc1cccc(Br)c1[O-] ZINC000765737751 655247997 /nfs/dbraw/zinc/24/79/97/655247997.db2.gz YTFWGUXCNFRXFQ-UHFFFAOYSA-N -1 1 388.225 1.989 20 10 GDCDMM COC(=O)[C@H]1CCCN(CC(=O)NCc2cccc(Br)c2[O-])C1=O ZINC000935663007 657463998 /nfs/dbraw/zinc/46/39/98/657463998.db2.gz NHXNXTVOZGUOFI-NSHDSACASA-N -1 1 399.241 1.183 20 10 GDCDMM C=C/C(C)=C/CC(=O)NCCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573318122 947301632 /nfs/dbraw/zinc/30/16/32/947301632.db2.gz QIDMODXTLOPZSI-LNKIKWGQSA-N -1 1 380.456 1.822 20 10 GDCDMM C=C/C(C)=C/CC(=O)NCCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573318122 947301645 /nfs/dbraw/zinc/30/16/45/947301645.db2.gz QIDMODXTLOPZSI-LNKIKWGQSA-N -1 1 380.456 1.822 20 10 GDCDMM Cc1oc(C)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1C(=O)[O-] ZINC000327283351 971383235 /nfs/dbraw/zinc/38/32/35/971383235.db2.gz KBIFJYSYVWGFAY-UHFFFAOYSA-N -1 1 388.423 1.767 20 10 GDCDMM COC(=O)C1CC2(C1)C[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@@H]2C(=O)[O-] ZINC001593823887 955068296 /nfs/dbraw/zinc/06/82/96/955068296.db2.gz GUFOSMNCJMPHAK-WXYZLBAPSA-N -1 1 379.384 1.820 20 10 GDCDMM COC(=O)C1CC2(C1)C[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C[C@@H]2C(=O)[O-] ZINC001593823887 955068308 /nfs/dbraw/zinc/06/83/08/955068308.db2.gz GUFOSMNCJMPHAK-WXYZLBAPSA-N -1 1 379.384 1.820 20 10 GDCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC001589268482 985954121 /nfs/dbraw/zinc/95/41/21/985954121.db2.gz RUAIUXZVOGVVLY-UGSOOPFHSA-N -1 1 376.453 1.722 20 10 GDCDMM CC(=O)c1cc(Cl)cc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1[O-] ZINC000176989353 530695737 /nfs/dbraw/zinc/69/57/37/530695737.db2.gz OTCUNJIMSCDBNV-OAHLLOKOSA-N -1 1 386.901 1.553 20 10 GDCDMM CC1(Cn2cc(C(=O)NCc3cccc(Br)c3[O-])nn2)COC1 ZINC000277592152 531295545 /nfs/dbraw/zinc/29/55/45/531295545.db2.gz SNUSWGCYSLKWBU-UHFFFAOYSA-N -1 1 381.230 1.713 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCCS(=O)(=O)C1 ZINC000286904121 532185122 /nfs/dbraw/zinc/18/51/22/532185122.db2.gz JTISMEAOAIXEHE-SNVBAGLBSA-N -1 1 391.287 1.779 20 10 GDCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000833249095 601007144 /nfs/dbraw/zinc/00/71/44/601007144.db2.gz BBYXBDVQAYCTJX-CYBMUJFWSA-N -1 1 384.776 1.098 20 10 GDCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000833249095 601007146 /nfs/dbraw/zinc/00/71/46/601007146.db2.gz BBYXBDVQAYCTJX-CYBMUJFWSA-N -1 1 384.776 1.098 20 10 GDCDMM CS(=O)(=O)N1CCC[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000832687427 601595054 /nfs/dbraw/zinc/59/50/54/601595054.db2.gz BJDDNNQPFDYPTP-LBPRGKRZSA-N -1 1 390.889 1.604 20 10 GDCDMM CS(=O)(=O)N1CCC[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000832687427 601595056 /nfs/dbraw/zinc/59/50/56/601595056.db2.gz BJDDNNQPFDYPTP-LBPRGKRZSA-N -1 1 390.889 1.604 20 10 GDCDMM O=C([O-])C1CCN(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000833190143 601603423 /nfs/dbraw/zinc/60/34/23/601603423.db2.gz OEKQUFNGUBVQON-QGZVFWFLSA-N -1 1 376.453 1.696 20 10 GDCDMM COc1ccc(O)c(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826210241 607637924 /nfs/dbraw/zinc/63/79/24/607637924.db2.gz JXGHIMWGDGHCSI-UHFFFAOYSA-N -1 1 379.373 1.199 20 10 GDCDMM COc1ccc(O)c(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826210241 607637925 /nfs/dbraw/zinc/63/79/25/607637925.db2.gz JXGHIMWGDGHCSI-UHFFFAOYSA-N -1 1 379.373 1.199 20 10 GDCDMM CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000392900376 604500828 /nfs/dbraw/zinc/50/08/28/604500828.db2.gz NYKPCRGZVDAUIK-UHFFFAOYSA-N -1 1 388.423 1.849 20 10 GDCDMM CCN(CC)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1F ZINC000821196610 606172902 /nfs/dbraw/zinc/17/29/02/606172902.db2.gz BXRBXMHWBCOKGD-UHFFFAOYSA-N -1 1 387.423 1.907 20 10 GDCDMM CCN(CC)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1F ZINC000821196610 606172904 /nfs/dbraw/zinc/17/29/04/606172904.db2.gz BXRBXMHWBCOKGD-UHFFFAOYSA-N -1 1 387.423 1.907 20 10 GDCDMM CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000773255795 654587591 /nfs/dbraw/zinc/58/75/91/654587591.db2.gz SBZGIMYQOLQTDQ-UHFFFAOYSA-N -1 1 386.386 1.534 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000765766827 655248964 /nfs/dbraw/zinc/24/89/64/655248964.db2.gz CINZUGGRFFNTEW-UHFFFAOYSA-N -1 1 390.193 1.615 20 10 GDCDMM C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2cccc(Br)c2[O-])C1=O ZINC000277406525 531278543 /nfs/dbraw/zinc/27/85/43/531278543.db2.gz BSKTUTYDNVKLIP-MRXNPFEDSA-N -1 1 396.241 1.491 20 10 GDCDMM C[C@]1(CCCC(=O)NCc2cccc(Br)c2[O-])NC(=O)NC1=O ZINC000277558503 531293445 /nfs/dbraw/zinc/29/34/45/531293445.db2.gz PBKAXGFUVYNYPH-OAHLLOKOSA-N -1 1 384.230 1.539 20 10 GDCDMM COCCn1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000277612947 531296962 /nfs/dbraw/zinc/29/69/62/531296962.db2.gz YEAZCQKRWIQIJK-UHFFFAOYSA-N -1 1 397.229 1.253 20 10 GDCDMM CS(=O)(=O)C1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000279629799 531446338 /nfs/dbraw/zinc/44/63/38/531446338.db2.gz HUWFWWOUPNLYQQ-UHFFFAOYSA-N -1 1 391.287 1.921 20 10 GDCDMM CS(=O)(=O)C1(C(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000295448649 531581650 /nfs/dbraw/zinc/58/16/50/531581650.db2.gz VBFQSNABYDTUHG-UHFFFAOYSA-N -1 1 392.271 1.365 20 10 GDCDMM COc1ccc(O)c(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c1 ZINC000737106682 598921929 /nfs/dbraw/zinc/92/19/29/598921929.db2.gz WXHPHVAAYSDWKC-UHFFFAOYSA-N -1 1 388.409 1.333 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)N3C[C@H](C(=O)[O-])[C@H](C)C3)cc2F)CC1 ZINC000829781075 601500375 /nfs/dbraw/zinc/50/03/75/601500375.db2.gz PZOSXEGKAIOHQI-ZBFHGGJFSA-N -1 1 392.475 1.830 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](CN(C)C(=O)[O-])C1)cc2=O ZINC000739482099 602528693 /nfs/dbraw/zinc/52/86/93/602528693.db2.gz KPQAJSYRDARPLU-LLVKDONJSA-N -1 1 377.401 1.043 20 10 GDCDMM COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000739911074 603207954 /nfs/dbraw/zinc/20/79/54/603207954.db2.gz XGRKDZHRTQLHAS-INIZCTEOSA-N -1 1 390.484 1.323 20 10 GDCDMM CC1CCN(c2ccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)CC1 ZINC000820727892 607214933 /nfs/dbraw/zinc/21/49/33/607214933.db2.gz QHRHIPTUOQGXDX-UHFFFAOYSA-N -1 1 381.444 1.011 20 10 GDCDMM O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000826497693 609156558 /nfs/dbraw/zinc/15/65/58/609156558.db2.gz QIFVASUPASKIBN-UHFFFAOYSA-N -1 1 396.772 1.935 20 10 GDCDMM CC(=O)c1cc(Cl)cc(CN2CCN(S(=O)(=O)N(C)C)CC2)c1[O-] ZINC000750036439 654847383 /nfs/dbraw/zinc/84/73/83/654847383.db2.gz OQZNYPVGLKWZQZ-UHFFFAOYSA-N -1 1 375.878 1.172 20 10 GDCDMM CC(C)(CNC(=O)NCc1cccc(Br)c1[O-])S(C)(=O)=O ZINC000764792891 655223454 /nfs/dbraw/zinc/22/34/54/655223454.db2.gz ZAAVTKWWIXNDRR-UHFFFAOYSA-N -1 1 379.276 1.777 20 10 GDCDMM NC(=O)c1cnn2c1nccc2C(=O)NCc1cccc(Br)c1[O-] ZINC000765747944 655248611 /nfs/dbraw/zinc/24/86/11/655248611.db2.gz RMZDZTPEMPIDCA-UHFFFAOYSA-N -1 1 390.197 1.226 20 10 GDCDMM Cn1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1C(N)=O ZINC000766208072 655261386 /nfs/dbraw/zinc/26/13/86/655261386.db2.gz VAGKTBQTDHLJBU-UHFFFAOYSA-N -1 1 388.243 1.071 20 10 GDCDMM C[C@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CS1(=O)=O ZINC000821986922 655438373 /nfs/dbraw/zinc/43/83/73/655438373.db2.gz ZCFOHAMQNFHUDP-GXSJLCMTSA-N -1 1 391.287 1.920 20 10 GDCDMM CC(C)CN1C(=O)C(=CNN=c2[nH]c3cccnc3s2)C(=O)[N-]C1=S ZINC000856719205 655715131 /nfs/dbraw/zinc/71/51/31/655715131.db2.gz RYNGPGSGSWLHPR-TWGQIWQCSA-N -1 1 376.467 1.391 20 10 GDCDMM CN(C)c1ccc([C@H](CNS(=O)(=O)c2cc(C(=O)[O-])ccn2)N(C)C)cc1 ZINC001598314570 991300042 /nfs/dbraw/zinc/30/00/42/991300042.db2.gz YGYHNCWSZHUWNJ-INIZCTEOSA-N -1 1 392.481 1.427 20 10 GDCDMM CS(=O)(=O)N1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277602768 531296192 /nfs/dbraw/zinc/29/61/92/531296192.db2.gz UKTSUVSEYXATKF-UHFFFAOYSA-N -1 1 391.287 1.443 20 10 GDCDMM Cc1nc2n(n1)C[C@H](NC(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000277733787 531306738 /nfs/dbraw/zinc/30/67/38/531306738.db2.gz LOXUGSNYWKMKRS-LLVKDONJSA-N -1 1 380.246 1.869 20 10 GDCDMM COC(=O)c1cn(CCNC(=O)NCc2cccc(Br)c2[O-])nn1 ZINC000284166021 531937015 /nfs/dbraw/zinc/93/70/15/531937015.db2.gz KEULYBGYWRUNHH-UHFFFAOYSA-N -1 1 398.217 1.032 20 10 GDCDMM COc1cccc(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1O ZINC000737132138 598510782 /nfs/dbraw/zinc/51/07/82/598510782.db2.gz WPVHTLJCQYXOIO-UHFFFAOYSA-N -1 1 398.423 1.547 20 10 GDCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)n1 ZINC000821713305 606167993 /nfs/dbraw/zinc/16/79/93/606167993.db2.gz ULZMVSFBODWHAS-UHFFFAOYSA-N -1 1 391.848 1.941 20 10 GDCDMM CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000327188809 645267716 /nfs/dbraw/zinc/26/77/16/645267716.db2.gz AMZANTQYAJWKQY-UHFFFAOYSA-N -1 1 388.398 1.696 20 10 GDCDMM O=C(NCc1c[nH]nn1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000751071511 654871332 /nfs/dbraw/zinc/87/13/32/654871332.db2.gz VHMYSTVEYOHERS-UHFFFAOYSA-N -1 1 379.423 1.303 20 10 GDCDMM CS(=O)(=O)NC1CC(NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000801068977 654907515 /nfs/dbraw/zinc/90/75/15/654907515.db2.gz PKIFSYMIMMNBKM-UHFFFAOYSA-N -1 1 392.275 1.034 20 10 GDCDMM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000876137383 656577280 /nfs/dbraw/zinc/57/72/80/656577280.db2.gz JQGWZOIDGYWHHW-ZWNOBZJWSA-N -1 1 387.230 1.532 20 10 GDCDMM CCS(=O)(=O)N1CCC(CNC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000894181790 658518022 /nfs/dbraw/zinc/51/80/22/658518022.db2.gz RWSFGOYGJSSPMI-UHFFFAOYSA-N -1 1 389.905 1.907 20 10 GDCDMM C[C@H](C(=O)NCCC1=CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573707433 948433360 /nfs/dbraw/zinc/43/33/60/948433360.db2.gz NSCRAIZPPNWZFP-LLVKDONJSA-N -1 1 392.414 1.591 20 10 GDCDMM C[C@H](C(=O)NCCC1=CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573707433 948433361 /nfs/dbraw/zinc/43/33/61/948433361.db2.gz NSCRAIZPPNWZFP-LLVKDONJSA-N -1 1 392.414 1.591 20 10 GDCDMM CC(C)[C@H]1C[C@H]1C(=O)NCCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574088423 948923948 /nfs/dbraw/zinc/92/39/48/948923948.db2.gz CDGAIUXIIZBBHD-HUUCEWRRSA-N -1 1 382.472 1.592 20 10 GDCDMM CC(C)[C@H]1C[C@H]1C(=O)NCCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574088423 948923955 /nfs/dbraw/zinc/92/39/55/948923955.db2.gz CDGAIUXIIZBBHD-HUUCEWRRSA-N -1 1 382.472 1.592 20 10 GDCDMM CN(C)c1ccc([C@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)N(C)C)cc1 ZINC001598314118 991293114 /nfs/dbraw/zinc/29/31/14/991293114.db2.gz BKCSOVMDXJQSHS-HNNXBMFYSA-N -1 1 381.454 1.625 20 10 GDCDMM COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000190832997 530938801 /nfs/dbraw/zinc/93/88/01/530938801.db2.gz DHOWUXYVQWSOHS-AWEZNQCLSA-N -1 1 376.906 1.918 20 10 GDCDMM O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1cccc(Br)c1[O-] ZINC000277530757 531290928 /nfs/dbraw/zinc/29/09/28/531290928.db2.gz MMHFDFRPZSLPHY-JTQLQIEISA-N -1 1 394.312 1.691 20 10 GDCDMM CC1(C)NC(=O)N(CCC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1=O ZINC000736738978 600313755 /nfs/dbraw/zinc/31/37/55/600313755.db2.gz YICJEZMOGMKJIE-UHFFFAOYSA-N -1 1 383.832 1.653 20 10 GDCDMM CC1(C)NC(=O)N(CCC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1=O ZINC000736738978 600313758 /nfs/dbraw/zinc/31/37/58/600313758.db2.gz YICJEZMOGMKJIE-UHFFFAOYSA-N -1 1 383.832 1.653 20 10 GDCDMM CN(C)C(=O)CCN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830547251 602139129 /nfs/dbraw/zinc/13/91/29/602139129.db2.gz KTDKHSFDRRADLI-GQCTYLIASA-N -1 1 376.413 1.293 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)[C@@H](C)CN(C)C(=O)[O-])cc2F)CC1 ZINC000827226925 604156162 /nfs/dbraw/zinc/15/61/62/604156162.db2.gz BKOPJSLMAMTETK-AWEZNQCLSA-N -1 1 380.464 1.830 20 10 GDCDMM COCCN1C(=O)C(=CNc2ccc(Br)cc2C)C(=O)[N-]C1=S ZINC000920980063 660279692 /nfs/dbraw/zinc/27/96/92/660279692.db2.gz VGEIYNLYNMRNDD-DHZHZOJOSA-N -1 1 398.282 1.943 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCN(CC[S@](C)=O)CC2)c1 ZINC000781912530 654820139 /nfs/dbraw/zinc/82/01/39/654820139.db2.gz QJYFOSGCFRFHKW-NRFANRHFSA-N -1 1 375.332 1.959 20 10 GDCDMM O=C(COC(=O)c1cnn2cc(Br)cnc12)c1ccc([O-])c(O)c1 ZINC000784487607 654890110 /nfs/dbraw/zinc/89/01/10/654890110.db2.gz XWFPIOLGKJVUSC-UHFFFAOYSA-N -1 1 392.165 1.943 20 10 GDCDMM Cc1nc(Cn2cc(C(=O)NCc3cccc(Br)c3[O-])nn2)no1 ZINC000787582738 654968221 /nfs/dbraw/zinc/96/82/21/654968221.db2.gz VAORLBSMZAQBKT-UHFFFAOYSA-N -1 1 393.201 1.416 20 10 GDCDMM O=C(NCCNC(=O)c1ccn[nH]1)NCc1cccc(Br)c1[O-] ZINC000764805125 655223732 /nfs/dbraw/zinc/22/37/32/655223732.db2.gz IPNWZNQFRJDBQZ-UHFFFAOYSA-N -1 1 382.218 1.107 20 10 GDCDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000797431716 655242385 /nfs/dbraw/zinc/24/23/85/655242385.db2.gz WQULHVUXGLHOAC-UHFFFAOYSA-N -1 1 395.384 1.781 20 10 GDCDMM COc1ncncc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765903762 655251911 /nfs/dbraw/zinc/25/19/11/655251911.db2.gz KWVMSWPNSOGQQT-UHFFFAOYSA-N -1 1 381.186 1.208 20 10 GDCDMM NC(=O)c1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766199596 655261257 /nfs/dbraw/zinc/26/12/57/655261257.db2.gz GCAUNZGCILTBLJ-UHFFFAOYSA-N -1 1 385.239 1.732 20 10 GDCDMM Cc1oc(S(N)(=O)=O)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000798341990 655264514 /nfs/dbraw/zinc/26/45/14/655264514.db2.gz WNGDXIOSJARRAY-UHFFFAOYSA-N -1 1 389.227 1.634 20 10 GDCDMM Cn1nnc2c1CC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C2 ZINC000848670072 655498475 /nfs/dbraw/zinc/49/84/75/655498475.db2.gz NLLSDJFZBYKGDU-SNVBAGLBSA-N -1 1 380.246 1.640 20 10 GDCDMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(N3CCC(O)CC3)cc2)c1Cl ZINC000851844614 655599105 /nfs/dbraw/zinc/59/91/05/655599105.db2.gz ZNUGXZFRVDIKQS-UHFFFAOYSA-N -1 1 384.889 1.513 20 10 GDCDMM CC(C)CN1C(=O)C(=CNN=c2[nH]c3ccncc3s2)C(=O)[N-]C1=S ZINC000865211945 655914788 /nfs/dbraw/zinc/91/47/88/655914788.db2.gz DFDYNANYOLOATO-UITAMQMPSA-N -1 1 376.467 1.391 20 10 GDCDMM O=C([O-])[C@@]1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC001594854592 954214908 /nfs/dbraw/zinc/21/49/08/954214908.db2.gz OOGBADHXFZSCJY-KDOFPFPSSA-N -1 1 382.844 1.760 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)c3cnc(C(=O)[O-])cn3)cc2F)CC1 ZINC000842626057 979322368 /nfs/dbraw/zinc/32/23/68/979322368.db2.gz SVTAAIPASWABHV-UHFFFAOYSA-N -1 1 387.415 1.386 20 10 GDCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@](O)(C(=O)[O-])C2)C1 ZINC001591636071 992948550 /nfs/dbraw/zinc/94/85/50/992948550.db2.gz YOUVLVAEAHHOML-OAQYLSRUSA-N -1 1 385.464 1.456 20 10 GDCDMM CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000825879028 607601878 /nfs/dbraw/zinc/60/18/78/607601878.db2.gz FZKXZEHLYVYRJI-UHFFFAOYSA-N -1 1 394.407 1.689 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](C)[C@@H]1CNC(=O)[O-])cc2=O ZINC000827355723 603730740 /nfs/dbraw/zinc/73/07/40/603730740.db2.gz KLOVWQKXGSNQKP-RISCZKNCSA-N -1 1 391.428 1.480 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)[C@@]3(C)CCN(C(=O)[O-])C3)cc2F)CC1 ZINC000827228645 603930419 /nfs/dbraw/zinc/93/04/19/603930419.db2.gz QKZHEHXDFFWCBG-FQEVSTJZSA-N -1 1 392.475 1.974 20 10 GDCDMM O=[N+]([O-])c1cccc(-c2nccc(C=CC3=S=C(c4nn[n-]n4)C=C3)[n+]2[O-])c1 ZINC000823645478 606391413 /nfs/dbraw/zinc/39/14/13/606391413.db2.gz QSDBPQLOCCSCGO-SNAWJCMRSA-N -1 1 393.388 1.513 20 10 GDCDMM CS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1[O-] ZINC000753020465 654940810 /nfs/dbraw/zinc/94/08/10/654940810.db2.gz RWWSLIKCBRTYEI-UHFFFAOYSA-N -1 1 378.378 1.843 20 10 GDCDMM O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1c([O-])c(O)ccc1F ZINC000789963520 655036309 /nfs/dbraw/zinc/03/63/09/655036309.db2.gz BFRRYVQJJLKEPI-UHFFFAOYSA-N -1 1 388.804 1.599 20 10 GDCDMM NS(=O)(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765731218 655247646 /nfs/dbraw/zinc/24/76/46/655247646.db2.gz HUGJJKYNMDIFCG-UHFFFAOYSA-N -1 1 386.227 1.127 20 10 GDCDMM COC(=O)Cc1csc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000767868103 655308604 /nfs/dbraw/zinc/30/86/04/655308604.db2.gz IKKBGRBLLDRYEQ-UHFFFAOYSA-N -1 1 385.423 1.188 20 10 GDCDMM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000867427994 656059382 /nfs/dbraw/zinc/05/93/82/656059382.db2.gz DIYCVZIEAXWPAV-AWEZNQCLSA-N -1 1 389.543 1.864 20 10 GDCDMM O=C([O-])c1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)[n-]n1 ZINC001594732650 957052485 /nfs/dbraw/zinc/05/24/85/957052485.db2.gz UHOAOHRFTZNXMI-GFCCVEGCSA-N -1 1 378.816 1.861 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1COCCN1CC(F)F ZINC000277493077 531287861 /nfs/dbraw/zinc/28/78/61/531287861.db2.gz JQHCSJQUJJMPPR-NSHDSACASA-N -1 1 379.201 1.737 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])NCC1(N2CCOCC2)CC1 ZINC000277770262 531310100 /nfs/dbraw/zinc/31/01/00/531310100.db2.gz LCTDRWKLHINLCL-UHFFFAOYSA-N -1 1 384.274 1.819 20 10 GDCDMM COc1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1O ZINC000826216292 607632614 /nfs/dbraw/zinc/63/26/14/607632614.db2.gz RPJFBOBQJOQZIU-UHFFFAOYSA-N -1 1 379.373 1.199 20 10 GDCDMM COc1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1O ZINC000826216292 607632615 /nfs/dbraw/zinc/63/26/15/607632615.db2.gz RPJFBOBQJOQZIU-UHFFFAOYSA-N -1 1 379.373 1.199 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1)cc2=O ZINC000827354521 604226268 /nfs/dbraw/zinc/22/62/68/604226268.db2.gz BXUIJSXZXFTVSY-VXGBXAGGSA-N -1 1 391.428 1.480 20 10 GDCDMM CCN1CCN(c2ccc(CNC(=O)NC3CN(C(=O)[O-])C3)cc2F)CC1 ZINC000827228905 604585118 /nfs/dbraw/zinc/58/51/18/604585118.db2.gz SMPZMNJYANOCDC-UHFFFAOYSA-N -1 1 379.436 1.129 20 10 GDCDMM O=[N+]([O-])c1cccc(-c2nccc(C=CC3=S=C(c4nn[n-]n4)C=C3)[n+]2[O-])c1 ZINC000823645477 606391756 /nfs/dbraw/zinc/39/17/56/606391756.db2.gz QSDBPQLOCCSCGO-PLNGDYQASA-N -1 1 393.388 1.513 20 10 GDCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821610824 607205720 /nfs/dbraw/zinc/20/57/20/607205720.db2.gz GWYBXSAZGGHRGH-UHFFFAOYSA-N -1 1 381.444 1.107 20 10 GDCDMM Cc1cc(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C)n1-c1ccccc1 ZINC000822199944 607205817 /nfs/dbraw/zinc/20/58/17/607205817.db2.gz OHHKBJCOHYNYRK-UHFFFAOYSA-N -1 1 391.439 1.225 20 10 GDCDMM CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000326656904 645263861 /nfs/dbraw/zinc/26/38/61/645263861.db2.gz CSMRVRKYNZXNJN-UHFFFAOYSA-N -1 1 388.398 1.696 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000781894017 654819748 /nfs/dbraw/zinc/81/97/48/654819748.db2.gz CPELYZFARBFOKY-UHFFFAOYSA-N -1 1 382.302 1.859 20 10 GDCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cnn(C)c2)c(F)c1 ZINC000830151357 654931671 /nfs/dbraw/zinc/93/16/71/654931671.db2.gz VEWJZSWRKQAWMN-UHFFFAOYSA-N -1 1 376.435 1.512 20 10 GDCDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000797431178 655242068 /nfs/dbraw/zinc/24/20/68/655242068.db2.gz JATVHCKWYVKCBU-UHFFFAOYSA-N -1 1 398.491 1.973 20 10 GDCDMM Cn1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1=O ZINC000765925574 655252701 /nfs/dbraw/zinc/25/27/01/655252701.db2.gz IJOJGHOWPIAOSQ-UHFFFAOYSA-N -1 1 380.198 1.108 20 10 GDCDMM Cn1cc(N2C[C@@H](C(=O)NCc3cccc(Br)c3[O-])CC2=O)cn1 ZINC000861332669 655819709 /nfs/dbraw/zinc/81/97/09/655819709.db2.gz NZAMCCWRMXKCQW-NSHDSACASA-N -1 1 393.241 1.558 20 10 GDCDMM CN(C)[S@@](C)(=O)=NS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000882131576 657050137 /nfs/dbraw/zinc/05/01/37/657050137.db2.gz IJPWEHDOPGILRN-IBGZPJMESA-N -1 1 386.293 1.064 20 10 GDCDMM O=C(NCc1cnc2n1CCOC2)NCc1cccc(Br)c1[O-] ZINC000898948757 658968222 /nfs/dbraw/zinc/96/82/22/658968222.db2.gz XQANOOGYIFPPSU-UHFFFAOYSA-N -1 1 381.230 1.881 20 10 GDCDMM COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000775287009 978747755 /nfs/dbraw/zinc/74/77/55/978747755.db2.gz VHRAKBOLCRMTRX-UHFFFAOYSA-N -1 1 387.316 1.956 20 10 GDCDMM CN1CCN(c2ccc(CNC(=O)NCc3ncc(C(=O)[O-])s3)cc2)CC1 ZINC001598622684 994031067 /nfs/dbraw/zinc/03/10/67/994031067.db2.gz WFNVNAVBVVLZHF-UHFFFAOYSA-N -1 1 389.481 1.593 20 10 GDCDMM Cc1ccn(C[C@](C)(O)C(=O)NCc2cccc(Br)c2[O-])c(=O)c1 ZINC000280599791 531515655 /nfs/dbraw/zinc/51/56/55/531515655.db2.gz YDBSYRUHWAEIHC-KRWDZBQOSA-N -1 1 395.253 1.692 20 10 GDCDMM O=S(=O)(NCCCSc1nccs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340348 599235975 /nfs/dbraw/zinc/23/59/75/599235975.db2.gz ZQUBPABCJDLYEZ-UHFFFAOYSA-N -1 1 383.484 1.179 20 10 GDCDMM O=S(=O)(NCCCSc1nccs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340348 599235976 /nfs/dbraw/zinc/23/59/76/599235976.db2.gz ZQUBPABCJDLYEZ-UHFFFAOYSA-N -1 1 383.484 1.179 20 10 GDCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](NC(=O)[O-])[C@@H](C)C1)cc2=O ZINC000739482239 602763295 /nfs/dbraw/zinc/76/32/95/602763295.db2.gz NQFRPUXXPUWDQA-GWCFXTLKSA-N -1 1 377.401 1.090 20 10 GDCDMM COc1ccc(N2CCN(C(=O)CN3CC[C@@H](NC(=O)[O-])[C@H](C)C3)CC2)cc1 ZINC000739911005 603415490 /nfs/dbraw/zinc/41/54/90/603415490.db2.gz UYRWWGLEMDMLPD-CRAIPNDOSA-N -1 1 390.484 1.322 20 10 GDCDMM COc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1O ZINC000826216316 607632346 /nfs/dbraw/zinc/63/23/46/607632346.db2.gz SHHLJPINDDAVGG-UHFFFAOYSA-N -1 1 395.828 1.713 20 10 GDCDMM COc1ccc(O)c(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826210024 607637909 /nfs/dbraw/zinc/63/79/09/607637909.db2.gz AXNOZJOMWBCUKA-UHFFFAOYSA-N -1 1 395.828 1.713 20 10 GDCDMM COc1ccc(O)c(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826210024 607637910 /nfs/dbraw/zinc/63/79/10/607637910.db2.gz AXNOZJOMWBCUKA-UHFFFAOYSA-N -1 1 395.828 1.713 20 10 GDCDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)cc1 ZINC000918726676 660240070 /nfs/dbraw/zinc/24/00/70/660240070.db2.gz LEYNSDRWRUESEC-UHFFFAOYSA-N -1 1 382.419 1.529 20 10 GDCDMM Cc1cc(Br)c([O-])c(CN2CCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000781898220 654819718 /nfs/dbraw/zinc/81/97/18/654819718.db2.gz VWNIQQCJBZQLLB-UHFFFAOYSA-N -1 1 392.319 1.387 20 10 GDCDMM CC(C)(CNC(=O)NCc1cccc(Br)c1[O-])NS(C)(=O)=O ZINC000764778572 655222959 /nfs/dbraw/zinc/22/29/59/655222959.db2.gz FLXCJSOTPCQIGW-UHFFFAOYSA-N -1 1 394.291 1.282 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc2n(c1=O)CCS2 ZINC000765727919 655247425 /nfs/dbraw/zinc/24/74/25/655247425.db2.gz RDMOCDQETFCOEC-UHFFFAOYSA-N -1 1 382.239 1.747 20 10 GDCDMM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765735326 655247792 /nfs/dbraw/zinc/24/77/92/655247792.db2.gz GTGVKGCTZQDEBS-LBPRGKRZSA-N -1 1 391.287 1.585 20 10 GDCDMM Cc1nn(C)c(C)c1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765925042 655252426 /nfs/dbraw/zinc/25/24/26/655252426.db2.gz DDDGMWGBYKLQLL-UHFFFAOYSA-N -1 1 381.230 1.760 20 10 GDCDMM O=S(=O)(NCc1cccc(Br)c1[O-])C1CCS(=O)(=O)CC1 ZINC000766199343 655261142 /nfs/dbraw/zinc/26/11/42/655261142.db2.gz CPECHXLNPWEKSG-UHFFFAOYSA-N -1 1 398.300 1.151 20 10 GDCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000847468012 655469944 /nfs/dbraw/zinc/46/99/44/655469944.db2.gz PSCAAZKZYMKTEF-NSHDSACASA-N -1 1 384.230 1.937 20 10 GDCDMM CCS(=O)(=O)N[C@H](CCSC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760285 658149241 /nfs/dbraw/zinc/14/92/41/658149241.db2.gz NJFWMZQGZCENSO-GFCCVEGCSA-N -1 1 380.919 1.723 20 10 GDCDMM