smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)Oc1ccc(N2CCC[C@H](Nc3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC000822732154 599083992 /nfs/dbraw/zinc/08/39/92/599083992.db2.gz IPONSOPMCGEXRK-LBPRGKRZSA-N -1 1 387.394 2.944 20 10 GFCDMM FC(F)Oc1ccc(N2CCC[C@H](Nc3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000822732154 599083996 /nfs/dbraw/zinc/08/39/96/599083996.db2.gz IPONSOPMCGEXRK-LBPRGKRZSA-N -1 1 387.394 2.944 20 10 GFCDMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(N2CCOCC2)cc1 ZINC000736134287 598577298 /nfs/dbraw/zinc/57/72/98/598577298.db2.gz ASNVXVDZUIUXDE-GFCCVEGCSA-N -1 1 385.859 2.925 20 10 GFCDMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(N2CCOCC2)cc1 ZINC000736134287 598577300 /nfs/dbraw/zinc/57/73/00/598577300.db2.gz ASNVXVDZUIUXDE-GFCCVEGCSA-N -1 1 385.859 2.925 20 10 GFCDMM Cc1cc(C)n(C[C@@H]2CN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)n1 ZINC000738368588 600427036 /nfs/dbraw/zinc/42/70/36/600427036.db2.gz ICXKOAHTXYRLEM-KRWDZBQOSA-N -1 1 395.459 2.958 20 10 GFCDMM O=C([O-])NC[C@@H]1CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740634964 602268539 /nfs/dbraw/zinc/26/85/39/602268539.db2.gz TXOIECIJIURZRX-AWEZNQCLSA-N -1 1 384.432 2.808 20 10 GFCDMM COc1ccc(O)c(CN2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)c1 ZINC000833733792 605231995 /nfs/dbraw/zinc/23/19/95/605231995.db2.gz QDQQZAIHLQAFHW-IBGZPJMESA-N -1 1 390.867 2.998 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000277272746 655310620 /nfs/dbraw/zinc/31/06/20/655310620.db2.gz AGNJWJXUZIJURR-GLQYFDAESA-N -1 1 381.270 2.912 20 10 GFCDMM CC(C)(C)[S@](=O)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277293695 655311470 /nfs/dbraw/zinc/31/14/70/655311470.db2.gz BRHJIVRBUYVVMQ-OAQYLSRUSA-N -1 1 377.304 2.501 20 10 GFCDMM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCc1cccc(Br)c1[O-] ZINC000277427309 655318888 /nfs/dbraw/zinc/31/88/88/655318888.db2.gz DKVNFZSILBXNNT-CQSZACIVSA-N -1 1 395.253 2.819 20 10 GFCDMM Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000757659711 655914865 /nfs/dbraw/zinc/91/48/65/655914865.db2.gz ZOIABTNEEFPJEO-UHFFFAOYSA-N -1 1 386.769 2.761 20 10 GFCDMM CC(=O)Nc1ccccc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000768304687 656236654 /nfs/dbraw/zinc/23/66/54/656236654.db2.gz PZYBZXQKIHVXGV-UHFFFAOYSA-N -1 1 377.238 2.972 20 10 GFCDMM Cc1cc(C)c(NC(=S)NNc2nc(=O)c3cnn(C)c3[n-]2)c(Cl)c1 ZINC000769795415 656291956 /nfs/dbraw/zinc/29/19/56/656291956.db2.gz SGRXKYUVAHWXMG-UHFFFAOYSA-N -1 1 377.861 2.653 20 10 GFCDMM [O-]c1c(Br)cc(Br)cc1CNc1cnn(CCO)c1 ZINC000776253482 656723006 /nfs/dbraw/zinc/72/30/06/656723006.db2.gz WMRWBJKLLFWRPD-UHFFFAOYSA-N -1 1 391.063 2.718 20 10 GFCDMM O=C(COc1ccccc1Br)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784445819 657309444 /nfs/dbraw/zinc/30/94/44/657309444.db2.gz NWCVQIUCAOCGQO-UHFFFAOYSA-N -1 1 381.178 2.665 20 10 GFCDMM COc1cc(NS(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)ccc1O ZINC000797819816 659053947 /nfs/dbraw/zinc/05/39/47/659053947.db2.gz UQGBRXFPPFKCKO-UHFFFAOYSA-N -1 1 387.797 2.562 20 10 GFCDMM O=S(=O)(C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)N1CCCC1 ZINC000800537526 659315833 /nfs/dbraw/zinc/31/58/33/659315833.db2.gz CPJXUIHLCHTMLR-UHFFFAOYSA-N -1 1 376.881 2.575 20 10 GFCDMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115917 659878407 /nfs/dbraw/zinc/87/84/07/659878407.db2.gz ZAZAOFYKTFWPCM-UHFFFAOYSA-N -1 1 377.777 2.928 20 10 GFCDMM COc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1O ZINC000809819145 659942320 /nfs/dbraw/zinc/94/23/20/659942320.db2.gz NVJYEBCOHPZJOQ-UHFFFAOYSA-N -1 1 390.776 2.580 20 10 GFCDMM Cn1nc2c(c1CNC(=O)NCc1cccc(Br)c1[O-])CCCC2 ZINC000812929459 660036660 /nfs/dbraw/zinc/03/66/60/660036660.db2.gz GGVYKBGABCBGCE-UHFFFAOYSA-N -1 1 393.285 2.766 20 10 GFCDMM Cc1cc(C2(C(=O)NCc3cccc(Br)c3[O-])CCOCC2)on1 ZINC000861332434 662240965 /nfs/dbraw/zinc/24/09/65/662240965.db2.gz BIKZBGDDBJCLGQ-UHFFFAOYSA-N -1 1 395.253 2.816 20 10 GFCDMM Cn1ncc(Br)c1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000865681418 662436355 /nfs/dbraw/zinc/43/63/55/662436355.db2.gz XBVBFVVEGPWQNF-UHFFFAOYSA-N -1 1 375.610 2.740 20 10 GFCDMM [O-]c1c(F)cc(Br)cc1CN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000894570466 663469532 /nfs/dbraw/zinc/46/95/32/663469532.db2.gz WRCOWDAACXOSBO-OAHLLOKOSA-N -1 1 384.249 2.963 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000823503077 599312420 /nfs/dbraw/zinc/31/24/20/599312420.db2.gz AULOZNWIEYXLEF-AWNIVKPZSA-N -1 1 399.413 2.594 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000823503077 599312422 /nfs/dbraw/zinc/31/24/22/599312422.db2.gz AULOZNWIEYXLEF-AWNIVKPZSA-N -1 1 399.413 2.594 20 10 GFCDMM O=C([O-])CC[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CCOCC1 ZINC000833233381 600719888 /nfs/dbraw/zinc/71/98/88/600719888.db2.gz VKPUDAYDRWDQDL-UHFFFAOYSA-N -1 1 399.443 2.785 20 10 GFCDMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)n1-c1ccc(F)cc1 ZINC000832861405 601093383 /nfs/dbraw/zinc/09/33/83/601093383.db2.gz GOEXYMHPYULFMQ-CQSZACIVSA-N -1 1 387.455 2.854 20 10 GFCDMM O=C([O-])N1CCc2cccc(CNCc3ccc(N4CCOCC4)c(F)c3)c21 ZINC000832087003 603853785 /nfs/dbraw/zinc/85/37/85/603853785.db2.gz LUVRDPCKBPPGHV-UHFFFAOYSA-N -1 1 385.439 2.993 20 10 GFCDMM CN(CCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(=O)[O-] ZINC000830759323 604746670 /nfs/dbraw/zinc/74/66/70/604746670.db2.gz SUBMCFZGXLNKQG-HNNXBMFYSA-N -1 1 383.876 2.516 20 10 GFCDMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000819514830 660260963 /nfs/dbraw/zinc/26/09/63/660260963.db2.gz SCWQIVDPIGFUEE-CMPLNLGQSA-N -1 1 385.258 2.684 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCCC[C@@H]2CS(C)(=O)=O)c1 ZINC000824914581 660405113 /nfs/dbraw/zinc/40/51/13/660405113.db2.gz VORFBZRMXFOREP-CYBMUJFWSA-N -1 1 376.316 2.862 20 10 GFCDMM CC(C)(C)OC(=O)NC1(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277447183 655319947 /nfs/dbraw/zinc/31/99/47/655319947.db2.gz FWBGSQQHELFECM-UHFFFAOYSA-N -1 1 385.258 2.828 20 10 GFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)cc1 ZINC000326623002 655385175 /nfs/dbraw/zinc/38/51/75/655385175.db2.gz NPRBAEBEAIXUJL-UHFFFAOYSA-N -1 1 389.886 2.606 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000765301583 656140039 /nfs/dbraw/zinc/14/00/39/656140039.db2.gz CVTWNDHGAWHYMC-ZDUSSCGKSA-N -1 1 395.257 2.852 20 10 GFCDMM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765753648 656150700 /nfs/dbraw/zinc/15/07/00/656150700.db2.gz OTFYZHBMAHZZNM-ZDUSSCGKSA-N -1 1 383.286 2.808 20 10 GFCDMM O=C(Cn1c(=O)[nH]c2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765766742 656151561 /nfs/dbraw/zinc/15/15/61/656151561.db2.gz BCGJNULKPZRHJD-UHFFFAOYSA-N -1 1 376.210 2.526 20 10 GFCDMM CN1C(=O)CCc2cc(C(=O)NCc3cccc(Br)c3[O-])ccc21 ZINC000765770395 656151929 /nfs/dbraw/zinc/15/19/29/656151929.db2.gz QADWEPDWZQMJFF-UHFFFAOYSA-N -1 1 389.249 2.994 20 10 GFCDMM C[C@@H]1Cc2cc(S(=O)(=O)NCc3cccc(Br)c3[O-])ccc2O1 ZINC000766199600 656164695 /nfs/dbraw/zinc/16/46/95/656164695.db2.gz GHEWLCHVSYAFRB-SNVBAGLBSA-N -1 1 398.278 2.957 20 10 GFCDMM O=C(Cc1cc(F)ccc1Br)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784282019 657299073 /nfs/dbraw/zinc/29/90/73/657299073.db2.gz IJBAQDKZDPDDAK-UHFFFAOYSA-N -1 1 383.169 2.968 20 10 GFCDMM CC(C)(C)n1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(Br)n1 ZINC000784613508 657318648 /nfs/dbraw/zinc/31/86/48/657318648.db2.gz DERHDIYVGOWLDP-UHFFFAOYSA-N -1 1 397.225 2.852 20 10 GFCDMM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(O)cc3SC)ccc21 ZINC000792701819 658312650 /nfs/dbraw/zinc/31/26/50/658312650.db2.gz BSGFNBKXAJYIQV-UHFFFAOYSA-N -1 1 380.447 2.843 20 10 GFCDMM CC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@@H](C)S1(=O)=O ZINC000809725317 659937320 /nfs/dbraw/zinc/93/73/20/659937320.db2.gz OLQHKVQIHSKLNT-DGCLKSJQSA-N -1 1 376.316 2.861 20 10 GFCDMM Cc1cc(Cl)cnc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000812990446 660038952 /nfs/dbraw/zinc/03/89/52/660038952.db2.gz LHEGIOJVJGNVQH-UHFFFAOYSA-N -1 1 398.644 2.766 20 10 GFCDMM CC(C)CN1C(=O)C(=CNc2cc(Cl)ccc2N(C)C)C(=O)[N-]C1=S ZINC000920980661 664534994 /nfs/dbraw/zinc/53/49/94/664534994.db2.gz VAISNEHHHAYXAX-XYOKQWHBSA-N -1 1 380.901 2.601 20 10 GFCDMM Cn1nc(C2CC2)cc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000927604979 664711713 /nfs/dbraw/zinc/71/17/13/664711713.db2.gz ZYMOPGCFXHOQBH-UHFFFAOYSA-N -1 1 379.258 2.765 20 10 GFCDMM Cn1cc2c(n1)CCC[C@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000282891279 563428495 /nfs/dbraw/zinc/42/84/95/563428495.db2.gz XHIDAHDYFYRZKW-CYBMUJFWSA-N -1 1 379.258 2.765 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1nc(C2CC2)cs1 ZINC000288255638 563635618 /nfs/dbraw/zinc/63/56/18/563635618.db2.gz FMYRZAIDTOTYIJ-UHFFFAOYSA-N -1 1 396.266 2.744 20 10 GFCDMM CCN1CCN(c2ccc(CNC(=O)c3ccc(C(=O)[O-])s3)cc2F)CC1 ZINC000737121538 600076762 /nfs/dbraw/zinc/07/67/62/600076762.db2.gz CKJMDWGKOLLBIV-UHFFFAOYSA-N -1 1 391.468 2.657 20 10 GFCDMM CC(C)(CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)NC(=O)[O-] ZINC000823881367 605520708 /nfs/dbraw/zinc/52/07/08/605520708.db2.gz FWOODQYASPAANJ-AWEZNQCLSA-N -1 1 383.876 2.563 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000824983381 660406898 /nfs/dbraw/zinc/40/68/98/660406898.db2.gz VHTYYNOZTUEWHV-INIZCTEOSA-N -1 1 388.327 2.864 20 10 GFCDMM Cn1cc(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)cn1 ZINC000092074362 655011540 /nfs/dbraw/zinc/01/15/40/655011540.db2.gz YDXJTUXALHTIMU-UHFFFAOYSA-N -1 1 383.279 2.827 20 10 GFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc(-c3ccco3)cs2)c1 ZINC000726981406 655540323 /nfs/dbraw/zinc/54/03/23/655540323.db2.gz RYXOZNUBORJUFK-UHFFFAOYSA-N -1 1 379.419 2.733 20 10 GFCDMM C[C@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Br)cc(F)c1[O-] ZINC000757635889 655913993 /nfs/dbraw/zinc/91/39/93/655913993.db2.gz AROVIDXZPGWVOA-VIFPVBQESA-N -1 1 397.248 2.942 20 10 GFCDMM CN(C(=O)CNC(=O)NCc1cccc(Br)c1[O-])C1CCCCC1 ZINC000764790317 656119843 /nfs/dbraw/zinc/11/98/43/656119843.db2.gz JTCLLNXVDJRZSM-UHFFFAOYSA-N -1 1 398.301 2.745 20 10 GFCDMM Cn1cc(-c2nc(C(=O)NCc3cccc(Br)c3[O-])cs2)cn1 ZINC000765736558 656149465 /nfs/dbraw/zinc/14/94/65/656149465.db2.gz OKYYBZYTWRXPEB-UHFFFAOYSA-N -1 1 393.266 2.942 20 10 GFCDMM C[C@@]1(C(=O)NCc2cccc(Br)c2[O-])Cc2ccccc2C(=O)O1 ZINC000765747925 656150563 /nfs/dbraw/zinc/15/05/63/656150563.db2.gz RCFMYNGHWZQWSN-SFHVURJKSA-N -1 1 390.233 2.943 20 10 GFCDMM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765756945 656150978 /nfs/dbraw/zinc/15/09/78/656150978.db2.gz PCQWOIJCMXDDKJ-HWPZZCPQSA-N -1 1 378.222 2.999 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(C(=O)NC2CC2)c1 ZINC000765765121 656151268 /nfs/dbraw/zinc/15/12/68/656151268.db2.gz NOKMRWBZKHJGMA-UHFFFAOYSA-N -1 1 389.249 2.977 20 10 GFCDMM COC(=O)Cc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765765389 656151622 /nfs/dbraw/zinc/15/16/22/656151622.db2.gz RRGQBKSHISDFRN-UHFFFAOYSA-N -1 1 378.222 2.800 20 10 GFCDMM Cc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1F ZINC000765902680 656154325 /nfs/dbraw/zinc/15/43/25/656154325.db2.gz BKKPIQKZBNMXRT-UHFFFAOYSA-N -1 1 381.201 2.857 20 10 GFCDMM CN1CCc2ccc(S(=O)(=O)NCc3cccc(Br)c3[O-])cc21 ZINC000766201334 656164885 /nfs/dbraw/zinc/16/48/85/656164885.db2.gz RAWWKOYKRGTYKJ-UHFFFAOYSA-N -1 1 397.294 2.626 20 10 GFCDMM COc1ccc(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1Cl ZINC000769983031 656302671 /nfs/dbraw/zinc/30/26/71/656302671.db2.gz KXQBOXJIHSWBJH-UHFFFAOYSA-N -1 1 384.841 2.702 20 10 GFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(Br)c1 ZINC000794577531 658564296 /nfs/dbraw/zinc/56/42/96/658564296.db2.gz VYRRMGPUQLGMMV-UHFFFAOYSA-N -1 1 386.223 2.987 20 10 GFCDMM C[C@H](NCc1cnn(C)n1)c1cc(Br)cc(Br)c1[O-] ZINC000806168554 659826792 /nfs/dbraw/zinc/82/67/92/659826792.db2.gz RCOOUQKLIMDMMG-ZETCQYMHSA-N -1 1 390.079 2.897 20 10 GFCDMM Cc1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)ccc1OCC(=O)[O-] ZINC000808114061 659877581 /nfs/dbraw/zinc/87/75/81/659877581.db2.gz PDQQYBYGFVTFKU-UHFFFAOYSA-N -1 1 389.788 2.757 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000816496824 660158870 /nfs/dbraw/zinc/15/88/70/660158870.db2.gz YWPPBMRMWRHLDM-GFCCVEGCSA-N -1 1 391.269 2.502 20 10 GFCDMM CO[C@@H](CS(=O)(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000849390730 661714528 /nfs/dbraw/zinc/71/45/28/661714528.db2.gz UUKCKXJASCOPJH-AWEZNQCLSA-N -1 1 392.315 2.779 20 10 GFCDMM CC(C)(C)OC(=O)CC[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864512162 662377687 /nfs/dbraw/zinc/37/76/87/662377687.db2.gz AUIWNNUCJYUYDT-GFCCVEGCSA-N -1 1 388.258 2.819 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CC[S@](=O)C[C@H]2c2cnn(C)c2)c1 ZINC000895376877 663510778 /nfs/dbraw/zinc/51/07/78/663510778.db2.gz CSAPWAOVJMHGOQ-WNSKOXEYSA-N -1 1 398.326 2.502 20 10 GFCDMM CS(=O)(=O)C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000154968552 551487278 /nfs/dbraw/zinc/48/72/78/551487278.db2.gz IIOVENJZDYRFNQ-CQSZACIVSA-N -1 1 384.841 2.829 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1COC2(CCCC2)O1 ZINC000277604994 563216057 /nfs/dbraw/zinc/21/60/57/563216057.db2.gz VMWYTZLLMNGTRU-LBPRGKRZSA-N -1 1 385.258 2.640 20 10 GFCDMM CC(C)C(=O)N1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000278336778 563251108 /nfs/dbraw/zinc/25/11/08/563251108.db2.gz JTVHCMGXMRRQFS-UHFFFAOYSA-N -1 1 398.301 2.601 20 10 GFCDMM O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000739658214 600705620 /nfs/dbraw/zinc/70/56/20/600705620.db2.gz NUOZCTRWSLKAHX-AWEZNQCLSA-N -1 1 387.457 2.721 20 10 GFCDMM Cc1cc(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)n[nH]1 ZINC000832882799 601609841 /nfs/dbraw/zinc/60/98/41/601609841.db2.gz CHSNOASHCUJQIT-UHFFFAOYSA-N -1 1 395.415 2.792 20 10 GFCDMM COc1cccc(CN2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1O ZINC000833735292 604680580 /nfs/dbraw/zinc/68/05/80/604680580.db2.gz JBRHJWLYGAUQRX-GOSISDBHSA-N -1 1 390.867 2.998 20 10 GFCDMM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000826800641 604914698 /nfs/dbraw/zinc/91/46/98/604914698.db2.gz PEZOIYHXTIKAMV-HOTGVXAUSA-N -1 1 397.903 2.809 20 10 GFCDMM CCC(CC)c1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000055191550 654770596 /nfs/dbraw/zinc/77/05/96/654770596.db2.gz GQBBXEBCWFODBB-UHFFFAOYSA-N -1 1 384.483 2.771 20 10 GFCDMM C[C@@H](NCc1nncn1C)c1cc(Br)cc(Br)c1[O-] ZINC000273302385 655138581 /nfs/dbraw/zinc/13/85/81/655138581.db2.gz BUJDLBGNHATECX-SSDOTTSWSA-N -1 1 390.079 2.897 20 10 GFCDMM COCCNC(=O)c1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000277372440 655315558 /nfs/dbraw/zinc/31/55/58/655315558.db2.gz HQJLSNFCRHDASZ-UHFFFAOYSA-N -1 1 380.242 2.538 20 10 GFCDMM O=S(=O)([N-]c1c(F)cccc1-n1cccn1)c1cccc2nsnc21 ZINC000730204173 655572315 /nfs/dbraw/zinc/57/23/15/655572315.db2.gz LWPWAGCQKDUJDA-UHFFFAOYSA-N -1 1 375.410 2.817 20 10 GFCDMM Cn1ncc(C(=O)NCc2cccc(Br)c2[O-])c1C(F)(F)F ZINC000765732849 656149478 /nfs/dbraw/zinc/14/94/78/656149478.db2.gz TTXFONATJMIIRD-UHFFFAOYSA-N -1 1 378.148 2.837 20 10 GFCDMM C[C@H](NC(=O)C1CCCCC1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765746026 656150275 /nfs/dbraw/zinc/15/02/75/656150275.db2.gz BSQVLERIKZVDRM-NSHDSACASA-N -1 1 383.286 2.856 20 10 GFCDMM CCOC(=O)N1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765754866 656151077 /nfs/dbraw/zinc/15/10/77/656151077.db2.gz XMCJRSVNWKOVPF-UHFFFAOYSA-N -1 1 385.258 2.639 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1coc(C2CCOCC2)n1 ZINC000768302152 656236794 /nfs/dbraw/zinc/23/67/94/656236794.db2.gz JPFYCQKGJHDUHT-UHFFFAOYSA-N -1 1 381.226 2.967 20 10 GFCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000774620262 656541605 /nfs/dbraw/zinc/54/16/05/656541605.db2.gz MGAAMTQQMPDHRA-UHFFFAOYSA-N -1 1 389.882 2.699 20 10 GFCDMM O=S(=O)([N-]c1ccc(O)cc1)c1cc2c(cc1Br)OCCO2 ZINC000776745990 656791819 /nfs/dbraw/zinc/79/18/19/656791819.db2.gz SENWFDQDEZFVPY-UHFFFAOYSA-N -1 1 386.223 2.727 20 10 GFCDMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC000790382511 657965295 /nfs/dbraw/zinc/96/52/95/657965295.db2.gz UTUFWYNBJRZSCE-UHFFFAOYSA-N -1 1 385.781 2.576 20 10 GFCDMM CN1C(=O)NCC12CCN(Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC000895056838 663497152 /nfs/dbraw/zinc/49/71/52/663497152.db2.gz CWUFJNMFKXNRKW-UHFFFAOYSA-N -1 1 388.693 2.798 20 10 GFCDMM O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCc1cccc(Br)c1[O-] ZINC000907758707 664059619 /nfs/dbraw/zinc/05/96/19/664059619.db2.gz SNDWIFJQNXERFK-MRVPVSSYSA-N -1 1 391.476 2.892 20 10 GFCDMM COc1ccc(-n2c(C)cc(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)c2C)cc1 ZINC000832138689 601096591 /nfs/dbraw/zinc/09/65/91/601096591.db2.gz NJQLKGQCVSOJHR-OAHLLOKOSA-N -1 1 399.491 2.724 20 10 GFCDMM CN(C[C@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1)C(=O)[O-] ZINC000739667128 602523752 /nfs/dbraw/zinc/52/37/52/602523752.db2.gz XZNOCFTZJVTQCB-CQSZACIVSA-N -1 1 384.432 2.761 20 10 GFCDMM CC(C)(C)c1cnc(SCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)s1 ZINC000819965330 607120210 /nfs/dbraw/zinc/12/02/10/607120210.db2.gz BSDGHPSXXQEDLM-UHFFFAOYSA-N -1 1 388.482 2.661 20 10 GFCDMM CC(C)(C)N1C[C@H](CNC(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000823142459 660363142 /nfs/dbraw/zinc/36/31/42/660363142.db2.gz SNZCJTLVNXWDMQ-NSHDSACASA-N -1 1 398.301 2.601 20 10 GFCDMM O=C(NCCCNc1ccccn1)NCc1cccc(Br)c1[O-] ZINC000277302408 655311830 /nfs/dbraw/zinc/31/18/30/655311830.db2.gz CDEAVILIELDIKL-UHFFFAOYSA-N -1 1 379.258 2.851 20 10 GFCDMM O=C(NCc1nccn1C(F)F)NCc1cccc(Br)c1[O-] ZINC000764792570 656119814 /nfs/dbraw/zinc/11/98/14/656119814.db2.gz WALHLKABJDALFB-UHFFFAOYSA-N -1 1 375.173 2.746 20 10 GFCDMM CNC(=O)c1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765232608 656138216 /nfs/dbraw/zinc/13/82/16/656138216.db2.gz CILMSQCCUJRPKT-UHFFFAOYSA-N -1 1 378.226 2.836 20 10 GFCDMM NC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2[O-])c(F)c1 ZINC000765298776 656139802 /nfs/dbraw/zinc/13/98/02/656139802.db2.gz PBRGOFDFWHPRTJ-UHFFFAOYSA-N -1 1 382.189 2.714 20 10 GFCDMM O=C(NCc1ccn2ccnc2c1)NCc1cccc(Br)c1[O-] ZINC000765532235 656145015 /nfs/dbraw/zinc/14/50/15/656145015.db2.gz CCOZIXCRJXSGBL-UHFFFAOYSA-N -1 1 375.226 2.802 20 10 GFCDMM O=C(CCCNC(=O)c1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765731232 656149252 /nfs/dbraw/zinc/14/92/52/656149252.db2.gz IGPPMWQHFJJDGA-UHFFFAOYSA-N -1 1 391.265 2.981 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(Cn2cccn2)o1 ZINC000765755883 656151008 /nfs/dbraw/zinc/15/10/08/656151008.db2.gz JJFSDVBRURPIKY-UHFFFAOYSA-N -1 1 376.210 2.923 20 10 GFCDMM CCC(CC)N1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000765765186 656151542 /nfs/dbraw/zinc/15/15/42/656151542.db2.gz PCNSGMMMGOOSLX-GFCCVEGCSA-N -1 1 383.286 2.808 20 10 GFCDMM Cc1cccc2c1N(C(=O)C(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000765904857 656154647 /nfs/dbraw/zinc/15/46/47/656154647.db2.gz YWYLXZWFXRQDMV-UHFFFAOYSA-N -1 1 389.249 2.669 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cc(F)cc(F)c1 ZINC000765924438 656154812 /nfs/dbraw/zinc/15/48/12/656154812.db2.gz AEWIVVSEKMBJTQ-UHFFFAOYSA-N -1 1 385.164 2.688 20 10 GFCDMM [O-]c1c(Br)cccc1CNc1ncnc2c1cnn2-c1ncccn1 ZINC000765980683 656157105 /nfs/dbraw/zinc/15/71/05/656157105.db2.gz COBYKOZHMUQADZ-UHFFFAOYSA-N -1 1 398.224 2.686 20 10 GFCDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1 ZINC000776434703 656740373 /nfs/dbraw/zinc/74/03/73/656740373.db2.gz KSPUYSFDKCMJBP-UHFFFAOYSA-N -1 1 386.769 2.761 20 10 GFCDMM CN1C[C@H](C(=O)NCc2cccc(Br)c2[O-])c2ccccc2C1=O ZINC000787581492 657571535 /nfs/dbraw/zinc/57/15/35/657571535.db2.gz NNKMUKMLCLMWJJ-AWEZNQCLSA-N -1 1 389.249 2.640 20 10 GFCDMM COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cc(C)cc(Br)c1[O-] ZINC000862515923 662289493 /nfs/dbraw/zinc/28/94/93/662289493.db2.gz GBRXTBMXLLJWSN-SWLSCSKDSA-N -1 1 386.286 2.911 20 10 GFCDMM O=S(=O)([N-]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccns1 ZINC000884997311 663082654 /nfs/dbraw/zinc/08/26/54/663082654.db2.gz PNAGSJNSWAZBQX-UHFFFAOYSA-N -1 1 389.449 2.692 20 10 GFCDMM O=C(COc1ccc(Br)cc1F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916594024 664465777 /nfs/dbraw/zinc/46/57/77/664465777.db2.gz JHUADSSJYSPJBD-UHFFFAOYSA-N -1 1 399.168 2.804 20 10 GFCDMM NC(=O)C1CCN(Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000183467739 552309776 /nfs/dbraw/zinc/30/97/76/552309776.db2.gz IWYSSGGCBRTUQI-UHFFFAOYSA-N -1 1 392.091 2.615 20 10 GFCDMM C[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000287002025 563583232 /nfs/dbraw/zinc/58/32/32/563583232.db2.gz ISBGLQJHWQHMPB-SNVBAGLBSA-N -1 1 387.274 2.932 20 10 GFCDMM COc1ncccc1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000290965043 563727940 /nfs/dbraw/zinc/72/79/40/563727940.db2.gz NXHMCWBXBNTJOF-UHFFFAOYSA-N -1 1 380.242 2.600 20 10 GFCDMM COc1cc(Br)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000365557188 563786747 /nfs/dbraw/zinc/78/67/47/563786747.db2.gz QXEGJDPSOPXXIT-JKDFXYPNSA-N -1 1 386.286 2.932 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528292715 564776000 /nfs/dbraw/zinc/77/60/00/564776000.db2.gz GKNAJSZQLWRCRE-AWEZNQCLSA-N -1 1 382.302 2.971 20 10 GFCDMM CCN1CCN(c2ccc(CNC(=O)c3cccc(C(=O)[O-])c3)cc2F)CC1 ZINC000737122685 600053833 /nfs/dbraw/zinc/05/38/33/600053833.db2.gz MBAKOVXPEJMLJA-UHFFFAOYSA-N -1 1 385.439 2.596 20 10 GFCDMM CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000830831356 601397359 /nfs/dbraw/zinc/39/73/59/601397359.db2.gz VZADSOOFGYQRIK-UHFFFAOYSA-N -1 1 380.448 2.661 20 10 GFCDMM CN(C)c1ccc([C@H](CNC(=O)c2ccc(O)c(Cl)c2)NC(=O)[O-])cc1 ZINC000828064857 603931868 /nfs/dbraw/zinc/93/18/68/603931868.db2.gz ZZFVBFLKJDDNMZ-HNNXBMFYSA-N -1 1 377.828 2.850 20 10 GFCDMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1OC ZINC000831972622 604829457 /nfs/dbraw/zinc/82/94/57/604829457.db2.gz MZZSQYGZPVTKFK-QPJJXVBHSA-N -1 1 393.417 2.616 20 10 GFCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])c(N(C)C)nn1 ZINC000824529890 660396108 /nfs/dbraw/zinc/39/61/08/660396108.db2.gz PRGCDLHRDLSQKO-UHFFFAOYSA-N -1 1 380.246 2.641 20 10 GFCDMM O=C(NCCc1cn2ccccc2n1)NCc1cccc(Br)c1[O-] ZINC000764763418 656118949 /nfs/dbraw/zinc/11/89/49/656118949.db2.gz VMAMWAXGQAZZKA-UHFFFAOYSA-N -1 1 389.253 2.844 20 10 GFCDMM CC(=O)NCc1ccc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765748522 656150570 /nfs/dbraw/zinc/15/05/70/656150570.db2.gz VQRFVMBZTUJHPX-UHFFFAOYSA-N -1 1 383.267 2.782 20 10 GFCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])c(N)c([N+](=O)[O-])c1 ZINC000765763589 656151356 /nfs/dbraw/zinc/15/13/56/656151356.db2.gz DYZHPRVSCNCLME-UHFFFAOYSA-N -1 1 380.198 2.884 20 10 GFCDMM Cc1ccc2c(c1)N(C(=O)C(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000765902757 656154396 /nfs/dbraw/zinc/15/43/96/656154396.db2.gz CWJMWBJGANYRBW-UHFFFAOYSA-N -1 1 389.249 2.669 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cccc(F)c1F ZINC000766199539 656164608 /nfs/dbraw/zinc/16/46/08/656164608.db2.gz FACJPGIXJZGWAV-UHFFFAOYSA-N -1 1 378.194 2.911 20 10 GFCDMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000776748811 656791787 /nfs/dbraw/zinc/79/17/87/656791787.db2.gz IYDPXJQYQKWRQF-UHFFFAOYSA-N -1 1 375.855 2.640 20 10 GFCDMM COc1ccnc(N2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)n1 ZINC000781898545 657086986 /nfs/dbraw/zinc/08/69/86/657086986.db2.gz ZBNMETIATSRBCC-UHFFFAOYSA-N -1 1 393.285 2.584 20 10 GFCDMM COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(Br)c1 ZINC000783359812 657226325 /nfs/dbraw/zinc/22/63/25/657226325.db2.gz ZHVSZSHZKGMTCR-UHFFFAOYSA-N -1 1 381.178 2.909 20 10 GFCDMM O=C(Cc1ccc(F)cc1Br)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784827065 657328223 /nfs/dbraw/zinc/32/82/23/657328223.db2.gz UMFGXDKJHXNFRU-UHFFFAOYSA-N -1 1 383.169 2.968 20 10 GFCDMM CC(C)c1csc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000789783583 657890372 /nfs/dbraw/zinc/89/03/72/657890372.db2.gz VECNPANYHQPSQO-UHFFFAOYSA-N -1 1 398.282 2.990 20 10 GFCDMM O=C(NCc1cc2c(c(Br)c1)OCO2)c1c(F)ccc(O)c1[O-] ZINC000790069125 657924275 /nfs/dbraw/zinc/92/42/75/657924275.db2.gz KHCYACAFPRODMZ-UHFFFAOYSA-N -1 1 384.157 2.658 20 10 GFCDMM C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794830306 658620616 /nfs/dbraw/zinc/62/06/16/658620616.db2.gz WKXBWHGFIBETOU-BJOHPYRUSA-N -1 1 394.225 2.940 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cccc2c1CNC2=O ZINC000806753919 659841146 /nfs/dbraw/zinc/84/11/46/659841146.db2.gz AYCCCHSRSDQKKK-UHFFFAOYSA-N -1 1 376.210 2.720 20 10 GFCDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808115146 659878045 /nfs/dbraw/zinc/87/80/45/659878045.db2.gz QHEDAJFGKSFFSU-UHFFFAOYSA-N -1 1 376.749 2.908 20 10 GFCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2ccccc2S(N)(=O)=O)c1[O-] ZINC000814655304 660093213 /nfs/dbraw/zinc/09/32/13/660093213.db2.gz VZJBYOVUUMSKFU-UHFFFAOYSA-N -1 1 382.869 2.528 20 10 GFCDMM O=S(=O)([N-]Cc1ccc(N2CCC(O)CC2)cc1)c1sccc1Cl ZINC000851843804 661838245 /nfs/dbraw/zinc/83/82/45/661838245.db2.gz KEUCTHLLTCUVNQ-UHFFFAOYSA-N -1 1 386.926 2.841 20 10 GFCDMM CC(C)(C)N1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1=O ZINC000897575999 663612247 /nfs/dbraw/zinc/61/22/47/663612247.db2.gz BAEQUGKLUMYJLO-LBPRGKRZSA-N -1 1 383.286 2.808 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccnn1[C@@H]1CCOC1 ZINC000934117218 664890067 /nfs/dbraw/zinc/89/00/67/664890067.db2.gz ZPTAEXPAEJGMMX-LLVKDONJSA-N -1 1 381.230 2.634 20 10 GFCDMM CCOCc1nc([C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])no1 ZINC000290979473 563728757 /nfs/dbraw/zinc/72/87/57/563728757.db2.gz CRSHFTUOKGDREH-SECBINFHSA-N -1 1 399.245 2.635 20 10 GFCDMM c1[nH]c2ncccc2c1C1=CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735400488 598955226 /nfs/dbraw/zinc/95/52/26/598955226.db2.gz QSIXNVXZIXGXGW-UHFFFAOYSA-N -1 1 395.430 2.980 20 10 GFCDMM c1[nH]c2ncccc2c1C1=CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735400488 598955228 /nfs/dbraw/zinc/95/52/28/598955228.db2.gz QSIXNVXZIXGXGW-UHFFFAOYSA-N -1 1 395.430 2.980 20 10 GFCDMM Fc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1N1CCOCC1 ZINC000737645284 598577032 /nfs/dbraw/zinc/57/70/32/598577032.db2.gz VUXJIUUFCKCJSA-UHFFFAOYSA-N -1 1 389.822 2.503 20 10 GFCDMM Fc1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1N1CCOCC1 ZINC000737645284 598577034 /nfs/dbraw/zinc/57/70/34/598577034.db2.gz VUXJIUUFCKCJSA-UHFFFAOYSA-N -1 1 389.822 2.503 20 10 GFCDMM C[C@@]1(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CC1(Cl)Cl ZINC000834873366 660836430 /nfs/dbraw/zinc/83/64/30/660836430.db2.gz HZVXBHLIFFOBKL-CYBMUJFWSA-N -1 1 392.264 2.940 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C1CN(C(=O)C2CCCCC2)C1 ZINC000836784075 660944342 /nfs/dbraw/zinc/94/43/42/660944342.db2.gz AXICTUYFCLZXNA-UHFFFAOYSA-N -1 1 395.297 2.810 20 10 GFCDMM CN(C)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1F ZINC000725831193 655527549 /nfs/dbraw/zinc/52/75/49/655527549.db2.gz LNZVZZIEGUSEKE-UHFFFAOYSA-N -1 1 387.820 2.932 20 10 GFCDMM O=C(NCCN1Cc2ccccc2C1)NCc1cccc(Br)c1[O-] ZINC000764768512 656119324 /nfs/dbraw/zinc/11/93/24/656119324.db2.gz QTSYOMCZVKXOJO-UHFFFAOYSA-N -1 1 390.281 2.970 20 10 GFCDMM C[C@H](CC(=O)NCc1cccc(Br)c1[O-])NC(=O)c1ccccc1 ZINC000765727896 656148888 /nfs/dbraw/zinc/14/88/88/656148888.db2.gz QMYBTKPVKZLHMH-GFCCVEGCSA-N -1 1 391.265 2.980 20 10 GFCDMM O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)c1c(F)ccc(O)c1[O-] ZINC000790068852 657924230 /nfs/dbraw/zinc/92/42/30/657924230.db2.gz FTZKJHYWJRFCOX-MRVPVSSYSA-N -1 1 390.194 2.713 20 10 GFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000792703456 658313676 /nfs/dbraw/zinc/31/36/76/658313676.db2.gz XBKAWCMCEYTUQW-UHFFFAOYSA-N -1 1 378.475 2.824 20 10 GFCDMM Cc1cc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)ccc1Br ZINC000920976605 664535000 /nfs/dbraw/zinc/53/50/00/664535000.db2.gz LYCHSEGONJREOL-KPKJPENVSA-N -1 1 396.310 2.953 20 10 GFCDMM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000287002015 563582966 /nfs/dbraw/zinc/58/29/66/563582966.db2.gz ISBGLQJHWQHMPB-JTQLQIEISA-N -1 1 387.274 2.932 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1CCc1ccccc1 ZINC000823505208 599310047 /nfs/dbraw/zinc/31/00/47/599310047.db2.gz ZEKKVHPRZNBTAB-GXDHUFHOSA-N -1 1 383.458 2.904 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1CCc1ccccc1 ZINC000823505208 599310049 /nfs/dbraw/zinc/31/00/49/599310049.db2.gz ZEKKVHPRZNBTAB-GXDHUFHOSA-N -1 1 383.458 2.904 20 10 GFCDMM CCC[C@@](C)(NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000829193695 601007668 /nfs/dbraw/zinc/00/76/68/601007668.db2.gz DWIRKUMDMCUGMH-JOCHJYFZSA-N -1 1 394.427 2.634 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCCC[C@H]2CS(C)(=O)=O)c1 ZINC000824914582 660405132 /nfs/dbraw/zinc/40/51/32/660405132.db2.gz VORFBZRMXFOREP-ZDUSSCGKSA-N -1 1 376.316 2.862 20 10 GFCDMM CC(=O)c1cc(Cl)cc(CN(CC(F)F)C2CCS(=O)(=O)CC2)c1[O-] ZINC000839586142 661094002 /nfs/dbraw/zinc/09/40/02/661094002.db2.gz OKUNTXSDDAJXFT-UHFFFAOYSA-N -1 1 395.855 2.893 20 10 GFCDMM Cc1cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)c(C)c(C)c1O ZINC000274823556 655203444 /nfs/dbraw/zinc/20/34/44/655203444.db2.gz SHHNVSGIBRWNQN-UHFFFAOYSA-N -1 1 383.491 2.830 20 10 GFCDMM CC(C)C(=O)N1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277417723 655318252 /nfs/dbraw/zinc/31/82/52/655318252.db2.gz CQDGXZJLOHZWGF-UHFFFAOYSA-N -1 1 383.286 2.666 20 10 GFCDMM COCCCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000120156581 655329572 /nfs/dbraw/zinc/32/95/72/655329572.db2.gz MYEMWKVCEPOWFS-CYBMUJFWSA-N -1 1 382.309 2.725 20 10 GFCDMM CC(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1Cl ZINC000753466910 655854954 /nfs/dbraw/zinc/85/49/54/655854954.db2.gz JFKXAPQGJCALLK-UHFFFAOYSA-N -1 1 382.825 2.872 20 10 GFCDMM O=S1(=O)CCCN1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000840954466 661218946 /nfs/dbraw/zinc/21/89/46/661218946.db2.gz JYTUNGGQADMLFN-UHFFFAOYSA-N -1 1 379.309 2.699 20 10 GFCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C(=O)N1CCCC[C@H]1C ZINC000764770452 656119241 /nfs/dbraw/zinc/11/92/41/656119241.db2.gz QVGZGOGXQQOUPE-VXGBXAGGSA-N -1 1 398.301 2.743 20 10 GFCDMM CCC(CC)[C@H](C(=O)NCc1cccc(Br)c1[O-])N1CCOCC1 ZINC000765730602 656149278 /nfs/dbraw/zinc/14/92/78/656149278.db2.gz DOPPXQJOVLCBDN-MRXNPFEDSA-N -1 1 399.329 2.908 20 10 GFCDMM C[C@H]1Oc2c(cccc2C(=O)NCc2cccc(Br)c2[O-])NC1=O ZINC000765746444 656150238 /nfs/dbraw/zinc/15/02/38/656150238.db2.gz GTHSDSFHEUPPMX-SECBINFHSA-N -1 1 391.221 2.804 20 10 GFCDMM O=C(CNC(=O)Nc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765751530 656150754 /nfs/dbraw/zinc/15/07/54/656150754.db2.gz FTTDHXFBAVBBTK-UHFFFAOYSA-N -1 1 378.226 2.593 20 10 GFCDMM O=C(Cc1ccc2c(c1)NC(=O)C2)NCc1cccc(Br)c1[O-] ZINC000765754819 656150986 /nfs/dbraw/zinc/15/09/86/656150986.db2.gz WTVPQDQWJWJYGP-UHFFFAOYSA-N -1 1 375.222 2.508 20 10 GFCDMM COc1ccc(F)cc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765903701 656154368 /nfs/dbraw/zinc/15/43/68/656154368.db2.gz KBWNLACNSKKFAZ-UHFFFAOYSA-N -1 1 397.200 2.557 20 10 GFCDMM COc1cc(F)ccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765930098 656155172 /nfs/dbraw/zinc/15/51/72/656155172.db2.gz IBVFYZFFPAVJEC-UHFFFAOYSA-N -1 1 397.200 2.557 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccc(F)cc1F ZINC000766199804 656164644 /nfs/dbraw/zinc/16/46/44/656164644.db2.gz JAFMDXMQCZXZPR-UHFFFAOYSA-N -1 1 378.194 2.911 20 10 GFCDMM Cn1ccc(CNCc2cc(Br)cc(Br)c2[O-])n1 ZINC000776253300 656723276 /nfs/dbraw/zinc/72/32/76/656723276.db2.gz LWCJJADKUBJFIV-UHFFFAOYSA-N -1 1 375.064 2.941 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000781900939 657087627 /nfs/dbraw/zinc/08/76/27/657087627.db2.gz OQBPFWJKQHSJAX-UHFFFAOYSA-N -1 1 390.281 2.816 20 10 GFCDMM O=C(Cc1ccc(F)c(Br)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783087617 657206577 /nfs/dbraw/zinc/20/65/77/657206577.db2.gz UZIKQRMLVLPMOV-UHFFFAOYSA-N -1 1 383.169 2.968 20 10 GFCDMM Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c(Cl)n1 ZINC000788679950 657772209 /nfs/dbraw/zinc/77/22/09/657772209.db2.gz KEWAVTTUXLOWBN-UHFFFAOYSA-N -1 1 391.674 2.990 20 10 GFCDMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1OC ZINC000790627557 658004381 /nfs/dbraw/zinc/00/43/81/658004381.db2.gz SBYKUSQAYYKOOV-UHFFFAOYSA-N -1 1 387.797 2.562 20 10 GFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2SC)ccc1OC ZINC000792702149 658312902 /nfs/dbraw/zinc/31/29/02/658312902.db2.gz NTIPCEHCFWSRSF-UHFFFAOYSA-N -1 1 383.447 2.710 20 10 GFCDMM COc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])c(OC)n1 ZINC000811970607 660018498 /nfs/dbraw/zinc/01/84/98/660018498.db2.gz HRTYGESCJDPKAW-UHFFFAOYSA-N -1 1 396.241 2.566 20 10 GFCDMM O=C1OC[C@H]2CN(Cc3cc(Br)cc(Br)c3[O-])C[C@@H]12 ZINC000862546466 662290992 /nfs/dbraw/zinc/29/09/92/662290992.db2.gz MZWUSCLBDBAQEG-PSASIEDQSA-N -1 1 391.059 2.522 20 10 GFCDMM CC[C@@H](NCc1nnc2c(=O)n(C)ccn12)c1cc(Cl)cc(Cl)c1[O-] ZINC000883335908 663053543 /nfs/dbraw/zinc/05/35/43/663053543.db2.gz CNUKAQMCHBOESY-GFCCVEGCSA-N -1 1 382.251 2.681 20 10 GFCDMM O=C1NCCCN1C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894053259 663439750 /nfs/dbraw/zinc/43/97/50/663439750.db2.gz IWEAQVGVGGFJDK-UHFFFAOYSA-N -1 1 386.265 2.674 20 10 GFCDMM O=C1NCCc2ccc(S(=O)(=O)Nc3cc(Cl)c([O-])c(Cl)c3)cc21 ZINC000184536362 552338330 /nfs/dbraw/zinc/33/83/30/552338330.db2.gz PDKWLVRTSKKLIT-UHFFFAOYSA-N -1 1 387.244 2.786 20 10 GFCDMM O=C([O-])NCCCOC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000834237802 605671363 /nfs/dbraw/zinc/67/13/63/605671363.db2.gz DDANVFQGDFSFJN-UHFFFAOYSA-N -1 1 387.274 2.793 20 10 GFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000055639155 654779888 /nfs/dbraw/zinc/77/98/88/654779888.db2.gz VSHUMMNUTUWRII-UHFFFAOYSA-N -1 1 376.406 2.527 20 10 GFCDMM C[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1cc(Br)c(F)cc1[O-] ZINC000757640492 655913997 /nfs/dbraw/zinc/91/39/97/655913997.db2.gz XHADSNFIJPPHSB-SECBINFHSA-N -1 1 385.237 2.752 20 10 GFCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C(=O)N1CCCC[C@@H]1C ZINC000764770444 656119207 /nfs/dbraw/zinc/11/92/07/656119207.db2.gz QVGZGOGXQQOUPE-NWDGAFQWSA-N -1 1 398.301 2.743 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NCc1cc2c([nH]c1=O)CCC2 ZINC000765499222 656144275 /nfs/dbraw/zinc/14/42/75/656144275.db2.gz QIUQJFMPEXPUBA-UHFFFAOYSA-N -1 1 392.253 2.743 20 10 GFCDMM Cn1c(=O)[nH]c2cc(C(=O)NCc3cccc(Br)c3[O-])ccc21 ZINC000765737733 656149862 /nfs/dbraw/zinc/14/98/62/656149862.db2.gz XVQYBQDFFNBLPL-UHFFFAOYSA-N -1 1 376.210 2.677 20 10 GFCDMM CCn1cc(-c2n[nH]cc2C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765746681 656150278 /nfs/dbraw/zinc/15/02/78/656150278.db2.gz IDUMIOPRDTXOAS-UHFFFAOYSA-N -1 1 390.241 2.691 20 10 GFCDMM COC(=O)c1cccc(CC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765747094 656150283 /nfs/dbraw/zinc/15/02/83/656150283.db2.gz LKKHKBXNTCQUJV-UHFFFAOYSA-N -1 1 378.222 2.800 20 10 GFCDMM C[C@@H](NC(=O)c1cccs1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765753744 656150760 /nfs/dbraw/zinc/15/07/60/656150760.db2.gz PRBZXTGSXSRATN-SECBINFHSA-N -1 1 383.267 2.651 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000765764601 656151258 /nfs/dbraw/zinc/15/12/58/656151258.db2.gz MSTGXUOQGCBNDX-ZDUSSCGKSA-N -1 1 395.297 2.952 20 10 GFCDMM Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000776434331 656739642 /nfs/dbraw/zinc/73/96/42/656739642.db2.gz CJNDGNQKMPBKIP-UHFFFAOYSA-N -1 1 386.769 2.761 20 10 GFCDMM CCc1nc(CN2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)no1 ZINC000781911761 657088615 /nfs/dbraw/zinc/08/86/15/657088615.db2.gz NBZAPCWQXVRWKH-UHFFFAOYSA-N -1 1 395.301 2.726 20 10 GFCDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000783837479 657264465 /nfs/dbraw/zinc/26/44/65/657264465.db2.gz MXILSVVORWGXID-UHFFFAOYSA-N -1 1 386.769 2.761 20 10 GFCDMM CCOC(=O)[C@H](NCc1cc(C)cc(Br)c1[O-])C1CCOCC1 ZINC000789579823 657869009 /nfs/dbraw/zinc/86/90/09/657869009.db2.gz IOLBBTQVNNSQFC-OAHLLOKOSA-N -1 1 386.286 2.911 20 10 GFCDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c(O)c1 ZINC000815040719 660106078 /nfs/dbraw/zinc/10/60/78/660106078.db2.gz BCLWIGFQPJZFMI-UHFFFAOYSA-N -1 1 390.776 2.580 20 10 GFCDMM COC(=O)[C@H](Cc1cncs1)NCc1cc(C)cc(Br)c1[O-] ZINC000877800198 662884447 /nfs/dbraw/zinc/88/44/47/662884447.db2.gz DOFLWYCTFGZFCP-ZDUSSCGKSA-N -1 1 385.283 2.794 20 10 GFCDMM CC[C@H](NCc1nnc2c(=O)n(C)ccn12)c1ccc(Cl)c(Cl)c1[O-] ZINC000883335402 663053566 /nfs/dbraw/zinc/05/35/66/663053566.db2.gz SEKCVPAJPKFFOB-NSHDSACASA-N -1 1 382.251 2.681 20 10 GFCDMM CN(C)c1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000278436630 563255588 /nfs/dbraw/zinc/25/55/88/563255588.db2.gz SHKKDJKGORNGGH-UHFFFAOYSA-N -1 1 379.258 2.615 20 10 GFCDMM COc1ccc(CN2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000821795100 599312073 /nfs/dbraw/zinc/31/20/73/599312073.db2.gz TWYIHDXSWRDLTG-RIYZIHGNSA-N -1 1 399.457 2.870 20 10 GFCDMM COc1ccc(CN2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1 ZINC000821795100 599312075 /nfs/dbraw/zinc/31/20/75/599312075.db2.gz TWYIHDXSWRDLTG-RIYZIHGNSA-N -1 1 399.457 2.870 20 10 GFCDMM COc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1C ZINC000738069525 600054943 /nfs/dbraw/zinc/05/49/43/600054943.db2.gz HCHHPVKUKFLZLV-UHFFFAOYSA-N -1 1 393.446 2.954 20 10 GFCDMM Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832925764 601101763 /nfs/dbraw/zinc/10/17/63/601101763.db2.gz WAUWARAJUOHYBJ-HNNXBMFYSA-N -1 1 375.494 2.777 20 10 GFCDMM COc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(OC)c1C(=O)[O-] ZINC000833734411 605203079 /nfs/dbraw/zinc/20/30/79/605203079.db2.gz CJOWATIKFMRPLU-UHFFFAOYSA-N -1 1 387.797 2.562 20 10 GFCDMM COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3nc(C)c(C)s3)C2)cc1 ZINC000819887724 660272147 /nfs/dbraw/zinc/27/21/47/660272147.db2.gz OKNJZZFFTQMMQW-CQSZACIVSA-N -1 1 381.523 2.573 20 10 GFCDMM CN(C)C(=O)C1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000834476451 660821865 /nfs/dbraw/zinc/82/18/65/660821865.db2.gz YVAMVGKWFLKXIV-UHFFFAOYSA-N -1 1 383.286 2.666 20 10 GFCDMM CN1CCC(N2C(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)CC1 ZINC000063824083 654858834 /nfs/dbraw/zinc/85/88/34/654858834.db2.gz GJNXSNWSHPCQBF-ZROIWOOFSA-N -1 1 379.463 2.596 20 10 GFCDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccccc1O ZINC000751149225 655822146 /nfs/dbraw/zinc/82/21/46/655822146.db2.gz OQMFGKNIXACHOS-UHFFFAOYSA-N -1 1 387.211 2.541 20 10 GFCDMM O=S(=O)([N-]Cc1ccccc1O)c1cc(Br)c(F)cc1F ZINC000751150658 655822179 /nfs/dbraw/zinc/82/21/79/655822179.db2.gz JTCAAWLFLSMSDZ-UHFFFAOYSA-N -1 1 378.194 2.911 20 10 GFCDMM O=C([O-])[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000840995429 661225034 /nfs/dbraw/zinc/22/50/34/661225034.db2.gz LJFDJFJLNMRUPR-SSDOTTSWSA-N -1 1 379.048 2.824 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000765726489 656148879 /nfs/dbraw/zinc/14/88/79/656148879.db2.gz HEGOQPWNJWLMCR-CYBMUJFWSA-N -1 1 389.249 2.824 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000765764600 656151327 /nfs/dbraw/zinc/15/13/27/656151327.db2.gz MSTGXUOQGCBNDX-CYBMUJFWSA-N -1 1 395.297 2.952 20 10 GFCDMM CCc1ccccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765903142 656154381 /nfs/dbraw/zinc/15/43/81/656154381.db2.gz FVVGFAHENKACLO-UHFFFAOYSA-N -1 1 377.238 2.972 20 10 GFCDMM Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cnc1Cl ZINC000765928204 656155178 /nfs/dbraw/zinc/15/51/78/656155178.db2.gz WFMHGNIELNCGMO-UHFFFAOYSA-N -1 1 398.644 2.766 20 10 GFCDMM O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766198990 656164635 /nfs/dbraw/zinc/16/46/35/656164635.db2.gz BYFSWPMTVPWJPI-UHFFFAOYSA-N -1 1 387.211 2.541 20 10 GFCDMM Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1Br ZINC000776434634 656740449 /nfs/dbraw/zinc/74/04/49/656740449.db2.gz HOQAMRXDPXJHPW-UHFFFAOYSA-N -1 1 386.223 2.962 20 10 GFCDMM Cc1cc(=O)c(C(=O)NCc2cccc(Br)c2[O-])cn1C1CC1 ZINC000807416477 659854462 /nfs/dbraw/zinc/85/44/62/659854462.db2.gz HBLIUQRRJWTATF-UHFFFAOYSA-N -1 1 377.238 2.890 20 10 GFCDMM COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1C(=O)[O-] ZINC000808113697 659877679 /nfs/dbraw/zinc/87/76/79/659877679.db2.gz GNCGKNZSTQQDDA-UHFFFAOYSA-N -1 1 375.761 2.692 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CC2(CO1)CCOCC2 ZINC000869036992 662627492 /nfs/dbraw/zinc/62/74/92/662627492.db2.gz JKEYDVAHRASYSY-CYBMUJFWSA-N -1 1 399.285 2.540 20 10 GFCDMM Cn1ncc(I)c1CNCc1cccc(Cl)c1[O-] ZINC000877776187 662883312 /nfs/dbraw/zinc/88/33/12/662883312.db2.gz AFNXYDVGSNZYEL-UHFFFAOYSA-N -1 1 377.613 2.674 20 10 GFCDMM CSC[C@@H](C)C(=O)N1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890759400 663312041 /nfs/dbraw/zinc/31/20/41/663312041.db2.gz KVIRXRFJKFLOJY-GFCCVEGCSA-N -1 1 384.929 2.900 20 10 GFCDMM Cn1ccnc1[C@H](O)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894029693 663438544 /nfs/dbraw/zinc/43/85/44/663438544.db2.gz BTHFBNUFANBVHF-MRXNPFEDSA-N -1 1 398.276 2.973 20 10 GFCDMM COC(=O)[C@@H](CC1CCOCC1)NCc1cc(C)cc(Br)c1[O-] ZINC000895588683 663519953 /nfs/dbraw/zinc/51/99/53/663519953.db2.gz DYHQFZDNKMCELU-OAHLLOKOSA-N -1 1 386.286 2.911 20 10 GFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C(N)=O)CC[C@@H]2C(F)(F)F)c1[O-] ZINC000372013501 563293865 /nfs/dbraw/zinc/29/38/65/563293865.db2.gz NJTVXHOCSQCMEF-NOZJJQNGSA-N -1 1 378.778 2.876 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1Cc1cccs1 ZINC000823504497 599312807 /nfs/dbraw/zinc/31/28/07/599312807.db2.gz QXNNQIXCPOQOCH-IZZDOVSWSA-N -1 1 375.460 2.923 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1Cc1cccs1 ZINC000823504497 599312810 /nfs/dbraw/zinc/31/28/10/599312810.db2.gz QXNNQIXCPOQOCH-IZZDOVSWSA-N -1 1 375.460 2.923 20 10 GFCDMM O=C([O-])CN(CCCS(=O)(=O)c1ccccc1)Cc1cc(Cl)ccc1O ZINC000739785518 600145017 /nfs/dbraw/zinc/14/50/17/600145017.db2.gz OHKUBKWYQOTKQY-UHFFFAOYSA-N -1 1 397.880 2.796 20 10 GFCDMM O=C([O-])C[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739785518 600145018 /nfs/dbraw/zinc/14/50/18/600145018.db2.gz OHKUBKWYQOTKQY-UHFFFAOYSA-N -1 1 397.880 2.796 20 10 GFCDMM O=C([O-])C[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739785518 600145020 /nfs/dbraw/zinc/14/50/20/600145020.db2.gz OHKUBKWYQOTKQY-UHFFFAOYSA-N -1 1 397.880 2.796 20 10 GFCDMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1-c1ccc(C)c(C)c1 ZINC000826280718 608012710 /nfs/dbraw/zinc/01/27/10/608012710.db2.gz MZAVSUFITKTLCQ-UHFFFAOYSA-N -1 1 375.436 2.970 20 10 GFCDMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1-c1ccc(C)c(C)c1 ZINC000826280718 608012711 /nfs/dbraw/zinc/01/27/11/608012711.db2.gz MZAVSUFITKTLCQ-UHFFFAOYSA-N -1 1 375.436 2.970 20 10 GFCDMM COC(=O)C1(C(=O)NCc2cccc(Br)c2[O-])CC2(CCC2)C1 ZINC000834476463 660821868 /nfs/dbraw/zinc/82/18/68/660821868.db2.gz YZIVFQFYEYTMGR-UHFFFAOYSA-N -1 1 382.254 2.894 20 10 GFCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000268304315 654966410 /nfs/dbraw/zinc/96/64/10/654966410.db2.gz FQQUDOPHMHHQGM-GXDHUFHOSA-N -1 1 384.910 2.540 20 10 GFCDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 ZINC000176683354 655252178 /nfs/dbraw/zinc/25/21/78/655252178.db2.gz RQZKGBGCNTWICE-UHFFFAOYSA-N -1 1 392.861 2.960 20 10 GFCDMM C[C@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Br)c(F)cc1[O-] ZINC000757636051 655913975 /nfs/dbraw/zinc/91/39/75/655913975.db2.gz FDAJUWQRYKZWQW-VIFPVBQESA-N -1 1 397.248 2.942 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)C[C@H]2C2CCC2)c1 ZINC000840956473 661220002 /nfs/dbraw/zinc/22/00/02/661220002.db2.gz SKEFYOKUMHJTSR-HNNXBMFYSA-N -1 1 388.327 2.862 20 10 GFCDMM O=C(NCc1cccc2c1OCO2)NCc1cccc(Br)c1[O-] ZINC000764762478 656118941 /nfs/dbraw/zinc/11/89/41/656118941.db2.gz GKFIKGXWFDZRPW-UHFFFAOYSA-N -1 1 379.210 2.883 20 10 GFCDMM Cc1nn(C)c(C)c1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764764087 656118974 /nfs/dbraw/zinc/11/89/74/656118974.db2.gz XOYRIPWDNRKHNN-UHFFFAOYSA-N -1 1 381.274 2.547 20 10 GFCDMM Cc1nc2ccnn2c(C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765737702 656149838 /nfs/dbraw/zinc/14/98/38/656149838.db2.gz WFSPFPSGOOUMKR-UHFFFAOYSA-N -1 1 375.226 2.744 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000765755180 656151026 /nfs/dbraw/zinc/15/10/26/656151026.db2.gz HUWKMQPUFKAVHT-GFCCVEGCSA-N -1 1 381.270 2.562 20 10 GFCDMM COCc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765927343 656154840 /nfs/dbraw/zinc/15/48/40/656154840.db2.gz QJONMPDBYUAQHT-UHFFFAOYSA-N -1 1 393.237 2.556 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc(F)c(F)c1 ZINC000765928189 656155180 /nfs/dbraw/zinc/15/51/80/656155180.db2.gz WCIQTUHNEWIZIP-UHFFFAOYSA-N -1 1 385.164 2.688 20 10 GFCDMM COCc1cccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766208329 656165191 /nfs/dbraw/zinc/16/51/91/656165191.db2.gz YNKXTARVVMUAHH-UHFFFAOYSA-N -1 1 386.267 2.780 20 10 GFCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000780388566 657002802 /nfs/dbraw/zinc/00/28/02/657002802.db2.gz DWOWMFMZLWJYCQ-UHFFFAOYSA-N -1 1 395.380 2.795 20 10 GFCDMM O=C(COC(=O)c1cc2c(c(Br)c1)OCO2)c1ccc([O-])c(O)c1 ZINC000783141200 657211194 /nfs/dbraw/zinc/21/11/94/657211194.db2.gz XZPCICLWPHGFNO-UHFFFAOYSA-N -1 1 395.161 2.629 20 10 GFCDMM O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccc([O-])c(O)c1 ZINC000783355308 657225489 /nfs/dbraw/zinc/22/54/89/657225489.db2.gz KONHSQSZTMWTHK-UHFFFAOYSA-N -1 1 396.149 2.808 20 10 GFCDMM O=C(COC(=O)c1n[nH]c2ccc(Br)cc21)c1ccc([O-])c(O)c1 ZINC000783622255 657246908 /nfs/dbraw/zinc/24/69/08/657246908.db2.gz GQBONFRFVPKIFJ-UHFFFAOYSA-N -1 1 391.177 2.776 20 10 GFCDMM COc1ccc(Br)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783839937 657264623 /nfs/dbraw/zinc/26/46/23/657264623.db2.gz XMBBTXYOAKXDCI-UHFFFAOYSA-N -1 1 381.178 2.909 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@]1(O)CCc2ccccc2C1 ZINC000803213648 659558270 /nfs/dbraw/zinc/55/82/70/659558270.db2.gz VAWIGIWFLHXSBI-SFHVURJKSA-N -1 1 376.250 2.691 20 10 GFCDMM CC(=O)NCCc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)s1 ZINC000808114471 659877705 /nfs/dbraw/zinc/87/77/05/659877705.db2.gz ZTFGRIGWNFHGPA-UHFFFAOYSA-N -1 1 392.861 2.726 20 10 GFCDMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c(OC)c1 ZINC000808113682 659877772 /nfs/dbraw/zinc/87/77/72/659877772.db2.gz FSNIATYOPBJLJZ-UHFFFAOYSA-N -1 1 389.788 2.781 20 10 GFCDMM CC[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@@H](C)S1(=O)=O ZINC000809725319 659937334 /nfs/dbraw/zinc/93/73/34/659937334.db2.gz OLQHKVQIHSKLNT-YPMHNXCESA-N -1 1 376.316 2.861 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(N2CCCCC2)ncn1 ZINC000857194774 662067548 /nfs/dbraw/zinc/06/75/48/662067548.db2.gz JYOGAJTVYKYXJS-UHFFFAOYSA-N -1 1 391.269 2.865 20 10 GFCDMM CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCc1cccc(Br)c1[O-])OC2=O ZINC000861332768 662240999 /nfs/dbraw/zinc/24/09/99/662240999.db2.gz VVYQJMKQVUIQSR-DLBZAZTESA-N -1 1 382.254 2.893 20 10 GFCDMM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])s1 ZINC000908327855 664099331 /nfs/dbraw/zinc/09/93/31/664099331.db2.gz HFRPEWQAQTVGLG-VIFPVBQESA-N -1 1 388.898 2.783 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCC2(CCOCC2)O1 ZINC000927182404 664705559 /nfs/dbraw/zinc/70/55/59/664705559.db2.gz DVQUZMSHLROCAN-CYBMUJFWSA-N -1 1 399.285 2.682 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]([C@H]1CCOC1)C(F)(F)F ZINC000932997948 664846704 /nfs/dbraw/zinc/84/67/04/664846704.db2.gz HLARCTBDNUIRBP-JOYOIKCWSA-N -1 1 397.191 2.921 20 10 GFCDMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CC)cc2)c1 ZINC000281741812 563385495 /nfs/dbraw/zinc/38/54/95/563385495.db2.gz BJXWDOZGUYLMBM-UHFFFAOYSA-N -1 1 384.479 2.648 20 10 GFCDMM CCn1ncc(CNCc2cc(Br)cc(Br)c2[O-])n1 ZINC000529641433 564845530 /nfs/dbraw/zinc/84/55/30/564845530.db2.gz ZYYHTRBGXWYVSN-UHFFFAOYSA-N -1 1 390.079 2.818 20 10 GFCDMM CN(c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1)C1CCCCC1 ZINC000736842319 599025478 /nfs/dbraw/zinc/02/54/78/599025478.db2.gz NTWDXXWMTZOPGE-UHFFFAOYSA-N -1 1 391.479 2.961 20 10 GFCDMM CN(c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1)C1CCCCC1 ZINC000736842319 599025480 /nfs/dbraw/zinc/02/54/80/599025480.db2.gz NTWDXXWMTZOPGE-UHFFFAOYSA-N -1 1 391.479 2.961 20 10 GFCDMM COc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000821873854 599308661 /nfs/dbraw/zinc/30/86/61/599308661.db2.gz ZCLCPKMTBCDJMV-JYRVWZFOSA-N -1 1 385.430 2.874 20 10 GFCDMM COc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)c1 ZINC000821873854 599308662 /nfs/dbraw/zinc/30/86/62/599308662.db2.gz ZCLCPKMTBCDJMV-JYRVWZFOSA-N -1 1 385.430 2.874 20 10 GFCDMM CN(C[C@@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1)C(=O)[O-] ZINC000739667126 602523993 /nfs/dbraw/zinc/52/39/93/602523993.db2.gz XZNOCFTZJVTQCB-AWEZNQCLSA-N -1 1 384.432 2.761 20 10 GFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(n2cc(Br)cn2)CC1 ZINC000825791779 660442410 /nfs/dbraw/zinc/44/24/10/660442410.db2.gz WKNSEPIOIWOFJP-UHFFFAOYSA-N -1 1 384.205 2.673 20 10 GFCDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCSc1nccs1 ZINC000117365191 655264991 /nfs/dbraw/zinc/26/49/91/655264991.db2.gz NCWIEQPIOGSVSK-UHFFFAOYSA-N -1 1 377.444 2.651 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCN(c3ncc(F)cn3)CC2)c1 ZINC000761227268 656003918 /nfs/dbraw/zinc/00/39/18/656003918.db2.gz YMIGIUXCTBBVID-UHFFFAOYSA-N -1 1 381.249 2.714 20 10 GFCDMM O=C(NCCCOCC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000764766122 656118922 /nfs/dbraw/zinc/11/89/22/656118922.db2.gz XRNLRIZHLTYHIY-UHFFFAOYSA-N -1 1 385.180 2.923 20 10 GFCDMM Cc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1C(N)=O ZINC000765276460 656139356 /nfs/dbraw/zinc/13/93/56/656139356.db2.gz ICGPUVGTPRJDIA-UHFFFAOYSA-N -1 1 378.226 2.884 20 10 GFCDMM COC(=O)Cc1cccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765387467 656141713 /nfs/dbraw/zinc/14/17/13/656141713.db2.gz BXCDJSLABXCUQC-UHFFFAOYSA-N -1 1 394.225 2.587 20 10 GFCDMM COc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1O ZINC000765463215 656143513 /nfs/dbraw/zinc/14/35/13/656143513.db2.gz CBSXAGSTULDNSM-UHFFFAOYSA-N -1 1 381.226 2.868 20 10 GFCDMM Cn1c(=O)oc2c1cccc2C(=O)NCc1cccc(Br)c1[O-] ZINC000765726412 656149035 /nfs/dbraw/zinc/14/90/35/656149035.db2.gz GYNORSPKXUGXRO-UHFFFAOYSA-N -1 1 377.194 2.530 20 10 GFCDMM Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1S(C)(=O)=O ZINC000765733268 656149505 /nfs/dbraw/zinc/14/95/05/656149505.db2.gz WKZIMNBTPRGKHC-UHFFFAOYSA-N -1 1 398.278 2.797 20 10 GFCDMM Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765766843 656151575 /nfs/dbraw/zinc/15/15/75/656151575.db2.gz CUVSVSUBRFCUFF-UHFFFAOYSA-N -1 1 378.182 2.635 20 10 GFCDMM CCC(CC)N1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000765765188 656151586 /nfs/dbraw/zinc/15/15/86/656151586.db2.gz PCNSGMMMGOOSLX-LBPRGKRZSA-N -1 1 383.286 2.808 20 10 GFCDMM CC(C)c1[nH]nc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1Br ZINC000784231448 657296990 /nfs/dbraw/zinc/29/69/90/657296990.db2.gz QRXBKLDEDVSMAV-UHFFFAOYSA-N -1 1 383.198 2.747 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@]1(O)CCc2ccccc2C1 ZINC000803213646 659558117 /nfs/dbraw/zinc/55/81/17/659558117.db2.gz VAWIGIWFLHXSBI-GOSISDBHSA-N -1 1 376.250 2.691 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCN(CC(F)(F)F)C(=O)C2)c1 ZINC000809710965 659936855 /nfs/dbraw/zinc/93/68/55/659936855.db2.gz FDSZYYOVIHDDLW-UHFFFAOYSA-N -1 1 381.192 2.670 20 10 GFCDMM O=S(=O)(NC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1)C1CC1 ZINC000809784450 659939407 /nfs/dbraw/zinc/93/94/07/659939407.db2.gz KJOLAWYWLNEXOZ-LLVKDONJSA-N -1 1 393.336 2.993 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000816496825 660159070 /nfs/dbraw/zinc/15/90/70/660159070.db2.gz YWPPBMRMWRHLDM-LBPRGKRZSA-N -1 1 391.269 2.502 20 10 GFCDMM COC(=O)[C@@]1(OC)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895392063 663511710 /nfs/dbraw/zinc/51/17/10/663511710.db2.gz KNMPCBIMJKVQGQ-CQSZACIVSA-N -1 1 378.650 2.572 20 10 GFCDMM COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)NCc3cccc(Br)c3[O-])[C@@H]2C1 ZINC000897728741 663617603 /nfs/dbraw/zinc/61/76/03/663617603.db2.gz MCRUDLWMNZJNPX-BYNQJWBRSA-N -1 1 397.269 2.542 20 10 GFCDMM CN(C)c1cccnc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000290965983 563727996 /nfs/dbraw/zinc/72/79/96/563727996.db2.gz SENMWACCFUZSJC-UHFFFAOYSA-N -1 1 379.258 2.615 20 10 GFCDMM O=S(=O)([N-]Cc1ccc(N2CCSCC2)cc1)c1cc(F)ccc1F ZINC000056101937 654788487 /nfs/dbraw/zinc/78/84/87/654788487.db2.gz ZMLYIKUFVZIZSB-UHFFFAOYSA-N -1 1 384.473 2.997 20 10 GFCDMM CN(C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1)S(C)(=O)=O ZINC000289325584 655346701 /nfs/dbraw/zinc/34/67/01/655346701.db2.gz GGXUGNHUZXSLLO-NSHDSACASA-N -1 1 381.325 2.802 20 10 GFCDMM COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1Br ZINC000747594123 655780341 /nfs/dbraw/zinc/78/03/41/655780341.db2.gz MDVFRJMBUHCGIS-UHFFFAOYSA-N -1 1 386.223 2.987 20 10 GFCDMM C[C@@H](NCc1cn(C)nn1)c1cc(Br)cc(Br)c1[O-] ZINC000757658938 655914858 /nfs/dbraw/zinc/91/48/58/655914858.db2.gz VEIBKANMDDJDKL-SSDOTTSWSA-N -1 1 390.079 2.897 20 10 GFCDMM O=C([O-])[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000840995430 661224969 /nfs/dbraw/zinc/22/49/69/661224969.db2.gz LJFDJFJLNMRUPR-ZETCQYMHSA-N -1 1 379.048 2.824 20 10 GFCDMM CCCc1cnc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765926382 656154846 /nfs/dbraw/zinc/15/48/46/656154846.db2.gz MBDONAZEAVBBAB-UHFFFAOYSA-N -1 1 398.282 2.819 20 10 GFCDMM CCOc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765928263 656155183 /nfs/dbraw/zinc/15/51/83/656155183.db2.gz XFDGFDHYPYNSSD-UHFFFAOYSA-N -1 1 393.237 2.808 20 10 GFCDMM COc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])ccc1F ZINC000765930090 656155205 /nfs/dbraw/zinc/15/52/05/656155205.db2.gz HSRTWSKKVJLCAO-UHFFFAOYSA-N -1 1 397.200 2.557 20 10 GFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000775271325 656620367 /nfs/dbraw/zinc/62/03/67/656620367.db2.gz IGHVHVGIZYRNSE-UHFFFAOYSA-N -1 1 397.503 2.859 20 10 GFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc(F)c1F ZINC000776749085 656791675 /nfs/dbraw/zinc/79/16/75/656791675.db2.gz WQSPTUPUBHRMHE-UHFFFAOYSA-N -1 1 377.752 2.911 20 10 GFCDMM O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1c(F)ccc(O)c1[O-] ZINC000790068853 657923949 /nfs/dbraw/zinc/92/39/49/657923949.db2.gz FTZKJHYWJRFCOX-QMMMGPOBSA-N -1 1 390.194 2.713 20 10 GFCDMM O=C(COC(=O)C1(c2cncc(Br)c2)CC1)c1ccc([O-])c(O)c1 ZINC000799522832 659197232 /nfs/dbraw/zinc/19/72/32/659197232.db2.gz URVWUTVBNQCMJT-UHFFFAOYSA-N -1 1 392.205 2.713 20 10 GFCDMM O=C([O-])c1cc(NS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)ccc1O ZINC000800837988 659335909 /nfs/dbraw/zinc/33/59/09/659335909.db2.gz KLVVYEWUIAVPIA-UHFFFAOYSA-N -1 1 381.793 2.674 20 10 GFCDMM CC(=O)c1ccc(NCc2cccc(Br)c2[O-])c(S(N)(=O)=O)c1 ZINC000804654344 659665433 /nfs/dbraw/zinc/66/54/33/659665433.db2.gz OGYYOWDMFUGXNJ-UHFFFAOYSA-N -1 1 399.266 2.617 20 10 GFCDMM O=C(COC(=O)c1cc(Cl)ncc1Br)c1ccc([O-])c(O)c1 ZINC000811392427 660007420 /nfs/dbraw/zinc/00/74/20/660007420.db2.gz MDSGBBXXBNDPPC-UHFFFAOYSA-N -1 1 386.585 2.948 20 10 GFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000890757742 663311800 /nfs/dbraw/zinc/31/18/00/663311800.db2.gz JYCDUKZKMXFIFW-NSHDSACASA-N -1 1 380.750 2.825 20 10 GFCDMM CCO[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])[C@]12CCCO2 ZINC000277635583 563218229 /nfs/dbraw/zinc/21/82/29/563218229.db2.gz XJZRUCFBJAPEAG-JJRVBVJISA-N -1 1 399.285 2.681 20 10 GFCDMM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1Cl ZINC000518289068 564549739 /nfs/dbraw/zinc/54/97/39/564549739.db2.gz OHLPHIGYCMSHOP-UHFFFAOYSA-N -1 1 383.838 2.932 20 10 GFCDMM O=C1[N-]C(=S)SC1=Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000738315885 598546966 /nfs/dbraw/zinc/54/69/66/598546966.db2.gz NDRIJQWASNMSGH-OQLLNIDSSA-N -1 1 395.469 2.935 20 10 GFCDMM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000031776364 654598666 /nfs/dbraw/zinc/59/86/66/654598666.db2.gz MIFBXLXOWOWNCH-UHFFFAOYSA-N -1 1 396.881 2.847 20 10 GFCDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000055583544 654778280 /nfs/dbraw/zinc/77/82/80/654778280.db2.gz YHLGJEPSZGJLPW-UHFFFAOYSA-N -1 1 392.861 2.960 20 10 GFCDMM CCS(=O)(=O)N(C)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093321039 655018133 /nfs/dbraw/zinc/01/81/33/655018133.db2.gz QUIFLCJZIXDCJI-UHFFFAOYSA-N -1 1 381.325 2.945 20 10 GFCDMM Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000277364639 655315016 /nfs/dbraw/zinc/31/50/16/655315016.db2.gz HCOCYUFNUZDBMU-ZDUSSCGKSA-N -1 1 379.258 2.765 20 10 GFCDMM CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277515374 655324056 /nfs/dbraw/zinc/32/40/56/655324056.db2.gz LIAVZYJPGMIIMZ-CQSZACIVSA-N -1 1 383.286 2.808 20 10 GFCDMM COCCOc1cc(C(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000277518918 655324284 /nfs/dbraw/zinc/32/42/84/655324284.db2.gz LNWKZLNNGJJOKE-UHFFFAOYSA-N -1 1 381.226 2.505 20 10 GFCDMM C[C@H](NCc1cn(C)nn1)c1cc(Br)cc(Br)c1[O-] ZINC000757658940 655914805 /nfs/dbraw/zinc/91/48/05/655914805.db2.gz VEIBKANMDDJDKL-ZETCQYMHSA-N -1 1 390.079 2.897 20 10 GFCDMM Cc1ccc(-n2cc(C(=O)NCc3cccc(Br)c3[O-])nn2)cc1 ZINC000765732167 656149310 /nfs/dbraw/zinc/14/93/10/656149310.db2.gz QGOWQPSCSXDYQF-UHFFFAOYSA-N -1 1 387.237 2.974 20 10 GFCDMM COC(=O)COc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765733631 656149472 /nfs/dbraw/zinc/14/94/72/656149472.db2.gz ZBNUVAINJNWQCM-UHFFFAOYSA-N -1 1 394.221 2.637 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1csc(-c2ncccn2)n1 ZINC000765766711 656151677 /nfs/dbraw/zinc/15/16/77/656151677.db2.gz AODCITCBYMHPFK-UHFFFAOYSA-N -1 1 391.250 2.998 20 10 GFCDMM Cc1noc(C2CC2)c1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765927536 656155167 /nfs/dbraw/zinc/15/51/67/656155167.db2.gz SELUUUOJZJEETR-UHFFFAOYSA-N -1 1 394.225 2.583 20 10 GFCDMM COc1ccsc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766179143 656163974 /nfs/dbraw/zinc/16/39/74/656163974.db2.gz KGUIKEJRFHWMEK-UHFFFAOYSA-N -1 1 378.269 2.703 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCC(C)(C)S(=O)(=O)CC2)c1 ZINC000775206416 656615747 /nfs/dbraw/zinc/61/57/47/656615747.db2.gz OFRNKQJPQPOHNU-UHFFFAOYSA-N -1 1 376.316 2.862 20 10 GFCDMM C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794830308 658620596 /nfs/dbraw/zinc/62/05/96/658620596.db2.gz WKXBWHGFIBETOU-RFAUZJTJSA-N -1 1 394.225 2.940 20 10 GFCDMM O=C(COC(=O)c1cn2ccc(Br)cc2n1)c1ccc([O-])c(O)c1 ZINC000803943640 659615443 /nfs/dbraw/zinc/61/54/43/659615443.db2.gz HRPJOCAKIGNYGG-UHFFFAOYSA-N -1 1 391.177 2.548 20 10 GFCDMM CCOC(=O)Cn1cccc(NCc2cc(C)cc(Br)c2[O-])c1=O ZINC000902228789 663757362 /nfs/dbraw/zinc/75/73/62/663757362.db2.gz HUYXSKDCKBDHHJ-UHFFFAOYSA-N -1 1 395.253 2.800 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCC2(CCOCC2)O1 ZINC000927182407 664705604 /nfs/dbraw/zinc/70/56/04/664705604.db2.gz DVQUZMSHLROCAN-ZDUSSCGKSA-N -1 1 399.285 2.682 20 10 GFCDMM COC[C@@](C)(NC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000932327811 664819644 /nfs/dbraw/zinc/81/96/44/664819644.db2.gz XMKXZQNYQHUACT-GFCCVEGCSA-N -1 1 385.180 2.921 20 10 GFCDMM O=C([O-])/C=C/c1ccc(N2CCC(CCN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000739625258 599707253 /nfs/dbraw/zinc/70/72/53/599707253.db2.gz OCRZYYURIQXIEP-DUXPYHPUSA-N -1 1 389.452 2.631 20 10 GFCDMM O=C([O-])C[N@H+](CCC(=O)N1CCc2ccccc21)Cc1cc(Cl)ccc1[O-] ZINC000739786460 600144702 /nfs/dbraw/zinc/14/47/02/600144702.db2.gz YTASTPVUIADLIY-UHFFFAOYSA-N -1 1 388.851 2.912 20 10 GFCDMM O=C([O-])C[N@@H+](CCC(=O)N1CCc2ccccc21)Cc1cc(Cl)ccc1[O-] ZINC000739786460 600144704 /nfs/dbraw/zinc/14/47/04/600144704.db2.gz YTASTPVUIADLIY-UHFFFAOYSA-N -1 1 388.851 2.912 20 10 GFCDMM COc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826208892 607451762 /nfs/dbraw/zinc/45/17/62/607451762.db2.gz DVJFNIHQDUBWSW-UHFFFAOYSA-N -1 1 395.423 2.864 20 10 GFCDMM COc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826208892 607451764 /nfs/dbraw/zinc/45/17/64/607451764.db2.gz DVJFNIHQDUBWSW-UHFFFAOYSA-N -1 1 395.423 2.864 20 10 GFCDMM CCN(Cc1cc(Br)ccc1O)c1cccc(-c2nnn[n-]2)n1 ZINC000825428459 608015873 /nfs/dbraw/zinc/01/58/73/608015873.db2.gz NSDRKNHUOCCFGK-UHFFFAOYSA-N -1 1 375.230 2.756 20 10 GFCDMM CCN(Cc1cc(Br)ccc1O)c1cccc(-c2nn[n-]n2)n1 ZINC000825428459 608015874 /nfs/dbraw/zinc/01/58/74/608015874.db2.gz NSDRKNHUOCCFGK-UHFFFAOYSA-N -1 1 375.230 2.756 20 10 GFCDMM CCn1cc(CNCc2cc(Br)cc(Br)c2[O-])nn1 ZINC000827086806 660478169 /nfs/dbraw/zinc/47/81/69/660478169.db2.gz CSLYVKBMFHSOCQ-UHFFFAOYSA-N -1 1 390.079 2.818 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc(-c2ncccn2)s1 ZINC000765729223 656149230 /nfs/dbraw/zinc/14/92/30/656149230.db2.gz ZKMGDWYDNJEUPL-UHFFFAOYSA-N -1 1 391.250 2.998 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCN1Cc1ccccn1 ZINC000765731464 656149365 /nfs/dbraw/zinc/14/93/65/656149365.db2.gz JGJXBNFZCIKWKX-MRXNPFEDSA-N -1 1 390.281 2.831 20 10 GFCDMM C[C@]1(C(=O)NCc2cccc(Br)c2[O-])Cc2ccccc2C(=O)O1 ZINC000765747924 656150498 /nfs/dbraw/zinc/15/04/98/656150498.db2.gz RCFMYNGHWZQWSN-GOSISDBHSA-N -1 1 390.233 2.943 20 10 GFCDMM O=C(Cc1ccc2c(c1)OCCO2)NCc1cccc(Br)c1[O-] ZINC000765754763 656151093 /nfs/dbraw/zinc/15/10/93/656151093.db2.gz WHWZQIJKHZBIAI-UHFFFAOYSA-N -1 1 378.222 2.785 20 10 GFCDMM CCOC(=O)[C@H](NCc1cc(C)cc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000789582678 657869645 /nfs/dbraw/zinc/86/96/45/657869645.db2.gz YALHLDOULWIAQI-IUODEOHRSA-N -1 1 386.286 2.911 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnnn1-c1cccc(F)c1 ZINC000790065347 657922681 /nfs/dbraw/zinc/92/26/81/657922681.db2.gz LOLIIFCKEREWKN-UHFFFAOYSA-N -1 1 391.200 2.805 20 10 GFCDMM CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000816589898 660161888 /nfs/dbraw/zinc/16/18/88/660161888.db2.gz LPWIHZXAVKIVEA-UHFFFAOYSA-N -1 1 384.860 2.998 20 10 GFCDMM COc1cc(Br)cc(C[N@H+](CCC(=O)[O-])C2CCOCC2)c1[O-] ZINC000843040950 661365368 /nfs/dbraw/zinc/36/53/68/661365368.db2.gz MXGHOFOURBPJET-UHFFFAOYSA-N -1 1 388.258 2.619 20 10 GFCDMM COc1cc(Br)cc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1[O-] ZINC000843040950 661365371 /nfs/dbraw/zinc/36/53/71/661365371.db2.gz MXGHOFOURBPJET-UHFFFAOYSA-N -1 1 388.258 2.619 20 10 GFCDMM Cn1ncc(C2CC2)c1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000852577617 661867524 /nfs/dbraw/zinc/86/75/24/661867524.db2.gz HEAGVMLMGHOEIW-UHFFFAOYSA-N -1 1 379.258 2.765 20 10 GFCDMM Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cccc(Br)c3[O-])C2)cn1 ZINC000874051116 662821443 /nfs/dbraw/zinc/82/14/43/662821443.db2.gz OGXRFACYJMMJGW-STQMWFEESA-N -1 1 394.269 2.579 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]([C@@H]1CCOC1)C(F)(F)F ZINC000932997944 664846560 /nfs/dbraw/zinc/84/65/60/664846560.db2.gz HLARCTBDNUIRBP-BXKDBHETSA-N -1 1 397.191 2.921 20 10 GFCDMM CCO[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])[C@@]12CCCO2 ZINC000277635588 563218150 /nfs/dbraw/zinc/21/81/50/563218150.db2.gz XJZRUCFBJAPEAG-VBQJREDUSA-N -1 1 399.285 2.681 20 10 GFCDMM CC(C)(C)n1ncnc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000282646397 563419520 /nfs/dbraw/zinc/41/95/20/563419520.db2.gz LTLJYPQWPSFTKJ-UHFFFAOYSA-N -1 1 382.262 2.501 20 10 GFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000739794154 600953751 /nfs/dbraw/zinc/95/37/51/600953751.db2.gz VNNJWOGVAJZGTF-INIZCTEOSA-N -1 1 390.823 2.958 20 10 GFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000739794154 600953753 /nfs/dbraw/zinc/95/37/53/600953753.db2.gz VNNJWOGVAJZGTF-INIZCTEOSA-N -1 1 390.823 2.958 20 10 GFCDMM COc1ccc(O)c([C@H](C)NCc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)c1 ZINC000833733692 605127057 /nfs/dbraw/zinc/12/70/57/605127057.db2.gz MIUGDAMIXMSIRP-VIFPVBQESA-N -1 1 389.433 2.556 20 10 GFCDMM COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3nc(C)c(C)s3)C2)cc1 ZINC000819887722 660272233 /nfs/dbraw/zinc/27/22/33/660272233.db2.gz OKNJZZFFTQMMQW-AWEZNQCLSA-N -1 1 381.523 2.573 20 10 GFCDMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)ccc1Cl ZINC000821191246 660318491 /nfs/dbraw/zinc/31/84/91/660318491.db2.gz LGQBQOGNYJEWAS-UHFFFAOYSA-N -1 1 396.273 2.903 20 10 GFCDMM C[C@H](NCc1nn(C)cc1I)c1ccc(F)cc1[O-] ZINC000834899180 660837378 /nfs/dbraw/zinc/83/73/78/660837378.db2.gz IZWMAMUWUQWQLD-QMMMGPOBSA-N -1 1 375.185 2.720 20 10 GFCDMM C[C@@H](NCc1cc(Br)cc(Br)c1[O-])c1ncnn1C ZINC000276515161 655277849 /nfs/dbraw/zinc/27/78/49/655277849.db2.gz ULOKJVJAXZYZDN-SSDOTTSWSA-N -1 1 390.079 2.897 20 10 GFCDMM C[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Br)cc(F)c1[O-] ZINC000757635888 655914039 /nfs/dbraw/zinc/91/40/39/655914039.db2.gz AROVIDXZPGWVOA-SECBINFHSA-N -1 1 397.248 2.942 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccn(CC(F)F)n1 ZINC000765297596 656139852 /nfs/dbraw/zinc/13/98/52/656139852.db2.gz KAKSMCWOSTWPQO-UHFFFAOYSA-N -1 1 375.173 2.938 20 10 GFCDMM C=CC(=O)NCc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765748046 656150472 /nfs/dbraw/zinc/15/04/72/656150472.db2.gz UMJIQGPLVKXGTJ-UHFFFAOYSA-N -1 1 389.249 2.887 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(N2CCCCC2)n1 ZINC000765758486 656151284 /nfs/dbraw/zinc/15/12/84/656151284.db2.gz YPVKQEJBVRULAD-UHFFFAOYSA-N -1 1 391.269 2.865 20 10 GFCDMM O=S(=O)(Cc1ccc(Cl)nc1)NCc1cccc(Br)c1[O-] ZINC000766202279 656164810 /nfs/dbraw/zinc/16/48/10/656164810.db2.gz YZVDRZGEJWMLQO-UHFFFAOYSA-N -1 1 391.674 2.823 20 10 GFCDMM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808113932 659877748 /nfs/dbraw/zinc/87/77/48/659877748.db2.gz MWSDAFBLXIUVHG-UHFFFAOYSA-N -1 1 377.752 2.911 20 10 GFCDMM COCCNS(=O)(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000862551671 662291408 /nfs/dbraw/zinc/29/14/08/662291408.db2.gz WKKGSPHYTBUWPV-UHFFFAOYSA-N -1 1 388.848 2.722 20 10 GFCDMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3cc(Br)ccc3[O-])C2)cn1 ZINC000874049857 662821385 /nfs/dbraw/zinc/82/13/85/662821385.db2.gz JUWQEKSOHDTRIE-DGCLKSJQSA-N -1 1 394.269 2.579 20 10 GFCDMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(Br)ccc3[O-])C2)cn1 ZINC000874049857 662821387 /nfs/dbraw/zinc/82/13/87/662821387.db2.gz JUWQEKSOHDTRIE-DGCLKSJQSA-N -1 1 394.269 2.579 20 10 GFCDMM CC1(C)[C@H](CS(=O)(=O)NCc2cccc(Br)c2[O-])C1(F)F ZINC000882132136 663017721 /nfs/dbraw/zinc/01/77/21/663017721.db2.gz RWDWUTONZKNWBN-JTQLQIEISA-N -1 1 384.242 2.865 20 10 GFCDMM O=C(NCCCOC[C@@H]1CCCO1)NCc1cccc(Br)c1[O-] ZINC000277779738 563226185 /nfs/dbraw/zinc/22/61/85/563226185.db2.gz QRYFPVUFRODCLG-ZDUSSCGKSA-N -1 1 387.274 2.540 20 10 GFCDMM Cc1cc(C)n(CCCNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000277836697 563228274 /nfs/dbraw/zinc/22/82/74/563228274.db2.gz YFDALKZMTOGEPU-UHFFFAOYSA-N -1 1 381.274 2.858 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C1CCN(CC(F)F)CC1 ZINC000288563033 563647904 /nfs/dbraw/zinc/64/79/04/563647904.db2.gz VXYOQINYGBINLJ-UHFFFAOYSA-N -1 1 377.229 2.748 20 10 GFCDMM Cc1cc(C(F)(F)F)nn1CC(=O)NCc1cccc(Br)c1[O-] ZINC000290416889 563709081 /nfs/dbraw/zinc/70/90/81/563709081.db2.gz LYLWPDYSNJGJNL-UHFFFAOYSA-N -1 1 392.175 2.995 20 10 GFCDMM C[C@@H]1CN(c2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2F)C[C@@H](C)O1 ZINC000736287027 599413293 /nfs/dbraw/zinc/41/32/93/599413293.db2.gz CYKCBLJDDKDCRX-CHWSQXEVSA-N -1 1 383.431 2.627 20 10 GFCDMM C[C@@H]1CN(c2ccc(CNc3cccc(-c4nn[n-]n4)n3)cc2F)C[C@@H](C)O1 ZINC000736287027 599413296 /nfs/dbraw/zinc/41/32/96/599413296.db2.gz CYKCBLJDDKDCRX-CHWSQXEVSA-N -1 1 383.431 2.627 20 10 GFCDMM O=C([O-])NC[C@H]1CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740634970 602268687 /nfs/dbraw/zinc/26/86/87/602268687.db2.gz TXOIECIJIURZRX-CQSZACIVSA-N -1 1 384.432 2.808 20 10 GFCDMM Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(C)n1-c1ccccn1 ZINC000822176119 606292928 /nfs/dbraw/zinc/29/29/28/606292928.db2.gz GHZQEAYVZVXBFK-UHFFFAOYSA-N -1 1 375.392 2.627 20 10 GFCDMM CSCCCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000821962659 606393915 /nfs/dbraw/zinc/39/39/15/606393915.db2.gz VEXHCCTVAGHEIU-YFHOEESVSA-N -1 1 383.549 2.883 20 10 GFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000276815940 655288729 /nfs/dbraw/zinc/28/87/29/655288729.db2.gz GBUSRJSICUFPNC-UHFFFAOYSA-N -1 1 383.491 2.776 20 10 GFCDMM COc1ccc(O)c(CNC(=O)c2cc(I)ccc2[O-])c1 ZINC000734015644 655625429 /nfs/dbraw/zinc/62/54/29/655625429.db2.gz SIOHJYBXDACQIQ-UHFFFAOYSA-N -1 1 399.184 2.641 20 10 GFCDMM C[C@H](Nc1cnn(CC(=O)N(C)C)c1)c1cc(Br)cc(F)c1[O-] ZINC000757635909 655913964 /nfs/dbraw/zinc/91/39/64/655913964.db2.gz BQWNCPGUVABFLR-VIFPVBQESA-N -1 1 385.237 2.752 20 10 GFCDMM Cc1ncc2c(n1)CC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C2 ZINC000765447961 656143228 /nfs/dbraw/zinc/14/32/28/656143228.db2.gz CTBOWOJDEKHZQF-CYBMUJFWSA-N -1 1 391.269 2.610 20 10 GFCDMM O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cccc(Br)c1[O-] ZINC000765751299 656150798 /nfs/dbraw/zinc/15/07/98/656150798.db2.gz FAZVPBHQNBEEGW-UHFFFAOYSA-N -1 1 388.221 2.662 20 10 GFCDMM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765756948 656150974 /nfs/dbraw/zinc/15/09/74/656150974.db2.gz PCQWOIJCMXDDKJ-MGPLVRAMSA-N -1 1 378.222 2.999 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cccc(F)c1F ZINC000765904829 656154572 /nfs/dbraw/zinc/15/45/72/656154572.db2.gz XSVFSCUIUWOCLH-UHFFFAOYSA-N -1 1 385.164 2.688 20 10 GFCDMM COc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000766207004 656165239 /nfs/dbraw/zinc/16/52/39/656165239.db2.gz LUJNZESXSNZAEI-UHFFFAOYSA-N -1 1 386.267 2.950 20 10 GFCDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1Br ZINC000775209359 656615764 /nfs/dbraw/zinc/61/57/64/656615764.db2.gz UGQQUQYKMNSEDK-UHFFFAOYSA-N -1 1 399.182 2.694 20 10 GFCDMM Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1 ZINC000776433380 656739613 /nfs/dbraw/zinc/73/96/13/656739613.db2.gz SQYWMIVEIVWLKE-UHFFFAOYSA-N -1 1 386.223 2.962 20 10 GFCDMM COCc1nc([C@H]2COCCN2Cc2cc(C)cc(Br)c2[O-])no1 ZINC000781920078 657089712 /nfs/dbraw/zinc/08/97/12/657089712.db2.gz JDVZYOXQOCHXLN-CYBMUJFWSA-N -1 1 398.257 2.566 20 10 GFCDMM O=C(Cc1ccc(Br)c(F)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784337931 657302109 /nfs/dbraw/zinc/30/21/09/657302109.db2.gz JCGALWXXNYCVOX-UHFFFAOYSA-N -1 1 383.169 2.968 20 10 GFCDMM COc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)sc1Br ZINC000784403773 657306607 /nfs/dbraw/zinc/30/66/07/657306607.db2.gz KJPBYWGWYRCPFS-UHFFFAOYSA-N -1 1 387.207 2.970 20 10 GFCDMM CCOC(=O)[C@@H](NCc1cc(C)cc(Br)c1[O-])[C@H]1CCCOC1 ZINC000789582680 657869901 /nfs/dbraw/zinc/86/99/01/657869901.db2.gz YALHLDOULWIAQI-WFASDCNBSA-N -1 1 386.286 2.911 20 10 GFCDMM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000797819995 659055009 /nfs/dbraw/zinc/05/50/09/659055009.db2.gz AGKUSNDCKOXWDB-UHFFFAOYSA-N -1 1 388.239 2.973 20 10 GFCDMM CN1CCC[C@@H]1c1cc(C(=O)NCc2cccc(Br)c2[O-])[nH]n1 ZINC000897577467 663612090 /nfs/dbraw/zinc/61/20/90/663612090.db2.gz WNZVUXGARJEBDY-CQSZACIVSA-N -1 1 379.258 2.575 20 10 GFCDMM CN1CCC[C@H]1c1cc(C(=O)NCc2cccc(Br)c2[O-])[nH]n1 ZINC000897577466 663612185 /nfs/dbraw/zinc/61/21/85/663612185.db2.gz WNZVUXGARJEBDY-AWEZNQCLSA-N -1 1 379.258 2.575 20 10 GFCDMM CS(=O)(=O)C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000154968446 551487323 /nfs/dbraw/zinc/48/73/23/551487323.db2.gz IIOVENJZDYRFNQ-AWEZNQCLSA-N -1 1 384.841 2.829 20 10 GFCDMM Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000282891282 563428484 /nfs/dbraw/zinc/42/84/84/563428484.db2.gz XHIDAHDYFYRZKW-ZDUSSCGKSA-N -1 1 379.258 2.765 20 10 GFCDMM COC(=O)Cc1occ(C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000290445253 563710030 /nfs/dbraw/zinc/71/00/30/563710030.db2.gz OCZGKNQGZAVMBY-UHFFFAOYSA-N -1 1 382.210 2.702 20 10 GFCDMM CCOCCN1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CC ZINC000737177807 600214271 /nfs/dbraw/zinc/21/42/71/600214271.db2.gz SQIDBSLEKUQHAD-IOBAAEILSA-N -1 1 377.441 2.630 20 10 GFCDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCSCC3)cc2)s1 ZINC000066000907 654892526 /nfs/dbraw/zinc/89/25/26/654892526.db2.gz VNAVVAFULNDVAP-UHFFFAOYSA-N -1 1 399.519 2.688 20 10 GFCDMM CCOC(=O)[C@@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000281587927 655335800 /nfs/dbraw/zinc/33/58/00/655335800.db2.gz QDRIQQHNTCKLQS-PWSUYJOCSA-N -1 1 385.258 2.686 20 10 GFCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000326480406 655385065 /nfs/dbraw/zinc/38/50/65/655385065.db2.gz KTQAUHZKNYMZKE-UHFFFAOYSA-N -1 1 377.296 2.790 20 10 GFCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000727360511 655544576 /nfs/dbraw/zinc/54/45/76/655544576.db2.gz AVVKGHSTEYIJQK-UHFFFAOYSA-N -1 1 384.479 2.648 20 10 GFCDMM COC[C@@H](C)n1ccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765361801 656141124 /nfs/dbraw/zinc/14/11/24/656141124.db2.gz IJRZMRBECCNEPA-SNVBAGLBSA-N -1 1 383.246 2.880 20 10 GFCDMM Cc1ncc2c(n1)CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])C2 ZINC000765447964 656143274 /nfs/dbraw/zinc/14/32/74/656143274.db2.gz CTBOWOJDEKHZQF-ZDUSSCGKSA-N -1 1 391.269 2.610 20 10 GFCDMM Cn1cnc(-c2ccc(C(=O)NCc3cccc(Br)c3[O-])cc2)n1 ZINC000765732841 656149221 /nfs/dbraw/zinc/14/92/21/656149221.db2.gz SZIWMRKDPVQZLK-UHFFFAOYSA-N -1 1 387.237 2.880 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000765729011 656149287 /nfs/dbraw/zinc/14/92/87/656149287.db2.gz XJMUWKALNFENMJ-UHFFFAOYSA-N -1 1 396.153 2.901 20 10 GFCDMM Cn1ncc(C(=O)NCc2cccc(Br)c2[O-])c1Br ZINC000765766686 656151645 /nfs/dbraw/zinc/15/16/45/656151645.db2.gz AGKHDLRZPKLSSV-UHFFFAOYSA-N -1 1 389.047 2.581 20 10 GFCDMM CCc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765924435 656154776 /nfs/dbraw/zinc/15/47/76/656154776.db2.gz ADIKUCHNUGWSCN-UHFFFAOYSA-N -1 1 377.238 2.972 20 10 GFCDMM CCOc1ccccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765925480 656154796 /nfs/dbraw/zinc/15/47/96/656154796.db2.gz GIDPUYQSPCODQS-UHFFFAOYSA-N -1 1 393.237 2.808 20 10 GFCDMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nonc32)c1C ZINC000767293956 656198767 /nfs/dbraw/zinc/19/87/67/656198767.db2.gz AEXDEALGGFWYDA-UHFFFAOYSA-N -1 1 381.797 2.772 20 10 GFCDMM COC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000776744387 656791042 /nfs/dbraw/zinc/79/10/42/656791042.db2.gz HLIMRTWDUIXTAC-UHFFFAOYSA-N -1 1 386.223 2.742 20 10 GFCDMM Cc1cc(Br)ccc1NC(=O)CNC(=O)c1c([O-])c(O)ccc1F ZINC000789939573 657901540 /nfs/dbraw/zinc/90/15/40/657901540.db2.gz PJMAGQGTDYVLTP-UHFFFAOYSA-N -1 1 397.200 2.676 20 10 GFCDMM NC(=O)c1ccccc1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000792484024 658288711 /nfs/dbraw/zinc/28/87/11/658288711.db2.gz IHPMQKSOPDLRFW-UHFFFAOYSA-N -1 1 377.238 2.503 20 10 GFCDMM COc1ccc(C)cc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000799818393 659230122 /nfs/dbraw/zinc/23/01/22/659230122.db2.gz CMXCRCRDHMSNIB-UHFFFAOYSA-N -1 1 386.267 2.950 20 10 GFCDMM COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1CC(=O)[O-] ZINC000808114460 659877624 /nfs/dbraw/zinc/87/76/24/659877624.db2.gz ZGLRFROHHNYZBF-UHFFFAOYSA-N -1 1 389.788 2.621 20 10 GFCDMM COCCNS(=O)(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000862552121 662291415 /nfs/dbraw/zinc/29/14/15/662291415.db2.gz TWOQQMIQJFHDAR-UHFFFAOYSA-N -1 1 388.848 2.722 20 10 GFCDMM O=C(c1ccc(NCc2cccc(Br)c2[O-])nc1)N1CCOCC1 ZINC000882267739 663023035 /nfs/dbraw/zinc/02/30/35/663023035.db2.gz KDMANNFQAOIHSW-UHFFFAOYSA-N -1 1 392.253 2.634 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccnn1C1CCC1 ZINC000915012034 664418888 /nfs/dbraw/zinc/41/88/88/664418888.db2.gz GKHQYDZEGKEWBC-UHFFFAOYSA-N -1 1 386.271 2.555 20 10 GFCDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2F)ccc1O ZINC000387578385 677407806 /nfs/dbraw/zinc/40/78/06/677407806.db2.gz LPPJJAFQDAIMHC-UHFFFAOYSA-N -1 1 390.186 2.793 20 10 GFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C(F)(F)F)c1[O-] ZINC000372013503 563293379 /nfs/dbraw/zinc/29/33/79/563293379.db2.gz NJTVXHOCSQCMEF-TVQRCGJNSA-N -1 1 378.778 2.876 20 10 GFCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cnn(C2CCOCC2)c1 ZINC000288302505 563637511 /nfs/dbraw/zinc/63/75/11/563637511.db2.gz SPGFHWPKVGSWCY-UHFFFAOYSA-N -1 1 375.809 2.534 20 10 GFCDMM CCOC(=O)c1cc(C(=O)NCc2cccc(Br)c2[O-])[nH]c1C ZINC000830530387 660661862 /nfs/dbraw/zinc/66/18/62/660661862.db2.gz ZLKJQDSJPYYMIT-UHFFFAOYSA-N -1 1 381.226 2.898 20 10 GFCDMM CCn1nc(C)c(CNC(=O)NCc2cccc(Br)c2[O-])c1C ZINC000764777084 656119145 /nfs/dbraw/zinc/11/91/45/656119145.db2.gz AQMYUQQISKFZFV-UHFFFAOYSA-N -1 1 381.274 2.987 20 10 GFCDMM O=C(NCCc1cnc(C2CC2)nc1)NCc1cccc(Br)c1[O-] ZINC000764799181 656120343 /nfs/dbraw/zinc/12/03/43/656120343.db2.gz IDZSMUZUVUZBJC-UHFFFAOYSA-N -1 1 391.269 2.864 20 10 GFCDMM O=C(NCc1ccc2c(c1)OCO2)NCc1cccc(Br)c1[O-] ZINC000765421668 656142502 /nfs/dbraw/zinc/14/25/02/656142502.db2.gz WFSRIZBUZIEQNZ-UHFFFAOYSA-N -1 1 379.210 2.883 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000765765144 656151322 /nfs/dbraw/zinc/15/13/22/656151322.db2.gz OFIPWUCJUQIEMX-UHFFFAOYSA-N -1 1 395.165 2.722 20 10 GFCDMM COCCCOc1ccc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765766543 656151671 /nfs/dbraw/zinc/15/16/71/656151671.db2.gz YRCFFNLFJNHDQZ-UHFFFAOYSA-N -1 1 395.253 2.895 20 10 GFCDMM O=C(CCNC(=O)Cc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765771221 656152095 /nfs/dbraw/zinc/15/20/95/656152095.db2.gz VUVIEOYXDYMXPC-UHFFFAOYSA-N -1 1 391.265 2.520 20 10 GFCDMM Cc1ccc(F)cc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765932484 656155468 /nfs/dbraw/zinc/15/54/68/656155468.db2.gz ZLNQMYDICGJEPP-UHFFFAOYSA-N -1 1 381.201 2.857 20 10 GFCDMM O=S(=O)(CCc1cccs1)NCc1cccc(Br)c1[O-] ZINC000767540304 656208193 /nfs/dbraw/zinc/20/81/93/656208193.db2.gz NVRCIZURGCZPEY-UHFFFAOYSA-N -1 1 376.297 2.878 20 10 GFCDMM C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794830307 658620164 /nfs/dbraw/zinc/62/01/64/658620164.db2.gz WKXBWHGFIBETOU-PSLIRLAXSA-N -1 1 394.225 2.940 20 10 GFCDMM CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1 ZINC000795324149 658805614 /nfs/dbraw/zinc/80/56/14/658805614.db2.gz MSVPZVXUSQRKEO-UHFFFAOYSA-N -1 1 383.495 2.733 20 10 GFCDMM COc1cc(Cl)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C ZINC000813872335 660066231 /nfs/dbraw/zinc/06/62/31/660066231.db2.gz CFWLCAYSNGAWKJ-UHFFFAOYSA-N -1 1 384.841 2.986 20 10 GFCDMM O=C(C[C@H](O)C(Cl)(Cl)Cl)NCc1cccc(Br)c1[O-] ZINC000907758709 664059656 /nfs/dbraw/zinc/05/96/56/664059656.db2.gz SNDWIFJQNXERFK-QMMMGPOBSA-N -1 1 391.476 2.892 20 10 GFCDMM CN(C)[C@@H](CCNC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000926818762 664697048 /nfs/dbraw/zinc/69/70/48/664697048.db2.gz FNOITQPECSJANO-NSHDSACASA-N -1 1 398.223 2.837 20 10 GFCDMM Cc1cc(C)c(CNC(=O)NCc2cccc(Br)c2[O-])c(=O)[nH]1 ZINC000277803190 563226810 /nfs/dbraw/zinc/22/68/10/563226810.db2.gz UQJAPDVQKFNGMM-UHFFFAOYSA-N -1 1 380.242 2.872 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc(C2OCCO2)s1 ZINC000288397834 563641672 /nfs/dbraw/zinc/64/16/72/563641672.db2.gz KTWXTGMUMGIRJW-UHFFFAOYSA-N -1 1 385.239 2.587 20 10 GFCDMM COc1ccc(O)c(CN2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)c1 ZINC000833733793 605231665 /nfs/dbraw/zinc/23/16/65/605231665.db2.gz QDQQZAIHLQAFHW-LJQANCHMSA-N -1 1 390.867 2.998 20 10 GFCDMM CCN(CC)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F ZINC000821196636 606709445 /nfs/dbraw/zinc/70/94/45/606709445.db2.gz CTUMTFWXCYIWJX-UHFFFAOYSA-N -1 1 386.391 2.767 20 10 GFCDMM CCN(CC)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F ZINC000821196636 606709447 /nfs/dbraw/zinc/70/94/47/606709447.db2.gz CTUMTFWXCYIWJX-UHFFFAOYSA-N -1 1 386.391 2.767 20 10 GFCDMM CN(Cc1ccc(N2CCCCC2)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821611089 607164021 /nfs/dbraw/zinc/16/40/21/607164021.db2.gz QEEQOCHBVCWZLB-UHFFFAOYSA-N -1 1 394.439 2.797 20 10 GFCDMM CN(Cc1ccc(N2CCCCC2)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821611089 607164023 /nfs/dbraw/zinc/16/40/23/607164023.db2.gz QEEQOCHBVCWZLB-UHFFFAOYSA-N -1 1 394.439 2.797 20 10 GFCDMM Cc1nn(-c2ccccc2)c(CN(C)c2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000826332603 608318475 /nfs/dbraw/zinc/31/84/75/608318475.db2.gz ZCADPAOLXCOIPT-UHFFFAOYSA-N -1 1 389.419 2.726 20 10 GFCDMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000826257312 608888564 /nfs/dbraw/zinc/88/85/64/608888564.db2.gz WXCDGFGDTJOZQW-UHFFFAOYSA-N -1 1 387.447 2.842 20 10 GFCDMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000826257312 608888565 /nfs/dbraw/zinc/88/85/65/608888565.db2.gz WXCDGFGDTJOZQW-UHFFFAOYSA-N -1 1 387.447 2.842 20 10 GFCDMM COc1ccc(-c2nn[nH]n2)cc1NCc1cccc(Br)c1[O-] ZINC000826186738 609483313 /nfs/dbraw/zinc/48/33/13/609483313.db2.gz IWTWGAWCSBBHDS-UHFFFAOYSA-N -1 1 376.214 2.956 20 10 GFCDMM COCCCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000120156739 655329595 /nfs/dbraw/zinc/32/95/95/655329595.db2.gz MYEMWKVCEPOWFS-ZDUSSCGKSA-N -1 1 382.309 2.725 20 10 GFCDMM O=C(NCCc1cn2c(n1)CCCC2)NCc1cccc(Br)c1[O-] ZINC000764760666 656118957 /nfs/dbraw/zinc/11/89/57/656118957.db2.gz KCCSDLQRPMHHPL-UHFFFAOYSA-N -1 1 393.285 2.729 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCOC2(CCOCC2)C1 ZINC000765537430 656145029 /nfs/dbraw/zinc/14/50/29/656145029.db2.gz USDQOJPWAQZDCH-ZDUSSCGKSA-N -1 1 399.285 2.682 20 10 GFCDMM O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1cccc(Br)c1[O-] ZINC000765753102 656150723 /nfs/dbraw/zinc/15/07/23/656150723.db2.gz NJZXDIDYTXQXLL-UHFFFAOYSA-N -1 1 399.172 2.897 20 10 GFCDMM CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765752709 656150732 /nfs/dbraw/zinc/15/07/32/656150732.db2.gz ZDIOVYOIOZUAGB-UHFFFAOYSA-N -1 1 398.278 2.878 20 10 GFCDMM O=C(COc1ccccc1[N+](=O)[O-])NCc1cccc(Br)c1[O-] ZINC000765756197 656150981 /nfs/dbraw/zinc/15/09/81/656150981.db2.gz LERQZPGNGJSUGY-UHFFFAOYSA-N -1 1 381.182 2.758 20 10 GFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000792703578 658313602 /nfs/dbraw/zinc/31/36/02/658313602.db2.gz ZMXQSQRWIPAZBY-UHFFFAOYSA-N -1 1 378.475 2.824 20 10 GFCDMM O=S(=O)(CC1Cc2ccccc2C1)NCc1cccc(Br)c1[O-] ZINC000809838512 659947497 /nfs/dbraw/zinc/94/74/97/659947497.db2.gz AITARMMSTRBNCS-UHFFFAOYSA-N -1 1 396.306 2.989 20 10 GFCDMM O=C(Cc1ccc(Br)cc1O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000814479378 660086098 /nfs/dbraw/zinc/08/60/98/660086098.db2.gz IOIPEHVOPSEDDU-UHFFFAOYSA-N -1 1 381.178 2.535 20 10 GFCDMM O=C(CSc1nnc2ccc(Br)cn21)c1ccc([O-])c(O)c1 ZINC000814787001 660095563 /nfs/dbraw/zinc/09/55/63/660095563.db2.gz TVRNWMGQJHSHSV-UHFFFAOYSA-N -1 1 380.223 2.878 20 10 GFCDMM Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3cc(Br)ccc3[O-])C2)cn1 ZINC000874049856 662821325 /nfs/dbraw/zinc/82/13/25/662821325.db2.gz JUWQEKSOHDTRIE-AAEUAGOBSA-N -1 1 394.269 2.579 20 10 GFCDMM Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cc(Br)ccc3[O-])C2)cn1 ZINC000874049856 662821327 /nfs/dbraw/zinc/82/13/27/662821327.db2.gz JUWQEKSOHDTRIE-AAEUAGOBSA-N -1 1 394.269 2.579 20 10 GFCDMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cccc(Br)c3[O-])C2)cn1 ZINC000874051113 662821411 /nfs/dbraw/zinc/82/14/11/662821411.db2.gz OGXRFACYJMMJGW-CHWSQXEVSA-N -1 1 394.269 2.579 20 10 GFCDMM Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3cc(Br)ccc3[O-])C2)cn1 ZINC000874049859 662821425 /nfs/dbraw/zinc/82/14/25/662821425.db2.gz JUWQEKSOHDTRIE-YPMHNXCESA-N -1 1 394.269 2.579 20 10 GFCDMM Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cc(Br)ccc3[O-])C2)cn1 ZINC000874049859 662821426 /nfs/dbraw/zinc/82/14/26/662821426.db2.gz JUWQEKSOHDTRIE-YPMHNXCESA-N -1 1 394.269 2.579 20 10 GFCDMM O=C(NCCCn1cc(Br)cn1)NCc1cccc(Cl)c1[O-] ZINC000894871638 663486092 /nfs/dbraw/zinc/48/60/92/663486092.db2.gz UWEFISVTRQTUOR-UHFFFAOYSA-N -1 1 387.665 2.894 20 10 GFCDMM O=C(Cc1ccn(CC(F)(F)F)n1)NCc1cccc(Br)c1[O-] ZINC000898704572 663659889 /nfs/dbraw/zinc/65/98/89/663659889.db2.gz WSYGPDBEPWGRPB-UHFFFAOYSA-N -1 1 392.175 2.772 20 10 GFCDMM CN(Cc1nnc[nH]1)Cc1cc(Br)cc(Br)c1[O-] ZINC000180324390 552222773 /nfs/dbraw/zinc/22/27/73/552222773.db2.gz XWASTSUSEYNPNY-UHFFFAOYSA-N -1 1 376.052 2.667 20 10 GFCDMM C[C@H]1CN(c2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2F)C[C@H](C)O1 ZINC000736287029 599414071 /nfs/dbraw/zinc/41/40/71/599414071.db2.gz CYKCBLJDDKDCRX-STQMWFEESA-N -1 1 383.431 2.627 20 10 GFCDMM C[C@H]1CN(c2ccc(CNc3cccc(-c4nn[n-]n4)n3)cc2F)C[C@H](C)O1 ZINC000736287029 599414072 /nfs/dbraw/zinc/41/40/72/599414072.db2.gz CYKCBLJDDKDCRX-STQMWFEESA-N -1 1 383.431 2.627 20 10 GFCDMM C[C@@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CC[C@@H]1NC(=O)[O-] ZINC000739189188 603399862 /nfs/dbraw/zinc/39/98/62/603399862.db2.gz ZLFBXCBDZLQROD-DYVFJYSZSA-N -1 1 384.432 2.807 20 10 GFCDMM CSc1nc(C2CC2)cc(C(=O)N(C)Cc2ccccc2O)c1-c1nn[n-]n1 ZINC000821989235 607223716 /nfs/dbraw/zinc/22/37/16/607223716.db2.gz IUXASLLTYKKKQI-UHFFFAOYSA-N -1 1 396.476 2.839 20 10 GFCDMM CCOc1ccc(-n2c(C)cc(C(=O)Cn3ccnc3-c3nnn[n-]3)c2C)cc1 ZINC000825632465 608012800 /nfs/dbraw/zinc/01/28/00/608012800.db2.gz SWMJIOYITXYLQN-UHFFFAOYSA-N -1 1 391.435 2.752 20 10 GFCDMM CCOc1ccc(-n2c(C)cc(C(=O)Cn3ccnc3-c3nn[n-]n3)c2C)cc1 ZINC000825632465 608012801 /nfs/dbraw/zinc/01/28/01/608012801.db2.gz SWMJIOYITXYLQN-UHFFFAOYSA-N -1 1 391.435 2.752 20 10 GFCDMM CC(C)C(=O)N1CCCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277515371 655324101 /nfs/dbraw/zinc/32/41/01/655324101.db2.gz LIAVZYJPGMIIMZ-AWEZNQCLSA-N -1 1 383.286 2.808 20 10 GFCDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000327714880 655386447 /nfs/dbraw/zinc/38/64/47/655386447.db2.gz CYMKAUXXHUEEGA-UHFFFAOYSA-N -1 1 386.769 2.541 20 10 GFCDMM COC(=O)CNC(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000195072911 655418820 /nfs/dbraw/zinc/41/88/20/655418820.db2.gz PYNORZXJZUNQIN-UHFFFAOYSA-N -1 1 393.237 2.670 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1Cc2ccccc2O1 ZINC000764762147 656118886 /nfs/dbraw/zinc/11/88/86/656118886.db2.gz OALJKZKVZBRXNN-ZDUSSCGKSA-N -1 1 377.238 2.958 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc2c(c1)NC(=O)CO2 ZINC000765233264 656138209 /nfs/dbraw/zinc/13/82/09/656138209.db2.gz GDQWWQSZQJLLRO-UHFFFAOYSA-N -1 1 392.209 2.807 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc2c(c1)C(=O)NCC2 ZINC000765292234 656139811 /nfs/dbraw/zinc/13/98/11/656139811.db2.gz FFZCDASOJAIPBQ-UHFFFAOYSA-N -1 1 390.237 2.762 20 10 GFCDMM CC(=O)N1CCc2cc(C(=O)NCc3cccc(Br)c3[O-])ccc21 ZINC000765750845 656150804 /nfs/dbraw/zinc/15/08/04/656150804.db2.gz MEXNJACWNDWXHQ-UHFFFAOYSA-N -1 1 389.249 2.994 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000765755181 656151071 /nfs/dbraw/zinc/15/10/71/656151071.db2.gz HUWKMQPUFKAVHT-LBPRGKRZSA-N -1 1 381.270 2.562 20 10 GFCDMM C=C1c2ccccc2C(=O)N1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765770440 656151859 /nfs/dbraw/zinc/15/18/59/656151859.db2.gz RARVAHPDMKPDFM-UHFFFAOYSA-N -1 1 387.233 2.898 20 10 GFCDMM COCc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766201402 656164827 /nfs/dbraw/zinc/16/48/27/656164827.db2.gz SLTDRXJAXSACGQ-UHFFFAOYSA-N -1 1 386.267 2.780 20 10 GFCDMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCOCC3)cc2)sc1C ZINC000771940524 656366873 /nfs/dbraw/zinc/36/68/73/656366873.db2.gz UTQNBCGKECSLKV-CYBMUJFWSA-N -1 1 381.523 2.636 20 10 GFCDMM COc1ccc(Br)c(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784246361 657297396 /nfs/dbraw/zinc/29/73/96/657297396.db2.gz JKRMEIMKJSAMKP-UHFFFAOYSA-N -1 1 395.205 2.838 20 10 GFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nnc(-c3ccsc3)s2)c1 ZINC000368960897 563883088 /nfs/dbraw/zinc/88/30/88/563883088.db2.gz SCJSHMFXYFGYLB-UHFFFAOYSA-N -1 1 396.475 2.596 20 10 GFCDMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)cc2C)c1OC ZINC000737873842 600678977 /nfs/dbraw/zinc/67/89/77/600678977.db2.gz SKGBFZRJIUZDSI-QPJJXVBHSA-N -1 1 393.417 2.616 20 10 GFCDMM CC1(C)CCc2sc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])nc21 ZINC000817628966 660203203 /nfs/dbraw/zinc/20/32/03/660203203.db2.gz FMFQKDUWIGPNHJ-UHFFFAOYSA-N -1 1 381.479 2.696 20 10 GFCDMM CO[C@](C)(C(=O)NCc1cccc(Br)c1[O-])C(=O)OC(C)(C)C ZINC000834475813 660821820 /nfs/dbraw/zinc/82/18/20/660821820.db2.gz DUXKOOKBOCWVGX-MRXNPFEDSA-N -1 1 388.258 2.518 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NCC1(CF)CCOCC1 ZINC000836598848 660919590 /nfs/dbraw/zinc/91/95/90/660919590.db2.gz JYAIJENHDRDISR-UHFFFAOYSA-N -1 1 375.238 2.720 20 10 GFCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])C(=O)N1CCCC[C@H]1C ZINC000764770440 656119135 /nfs/dbraw/zinc/11/91/35/656119135.db2.gz QVGZGOGXQQOUPE-NEPJUHHUSA-N -1 1 398.301 2.743 20 10 GFCDMM COC(=O)c1cnc(NCc2cccc(Br)c2[O-])c([N+](=O)[O-])c1 ZINC000764934853 656123527 /nfs/dbraw/zinc/12/35/27/656123527.db2.gz OGZSROXUSKVZMV-UHFFFAOYSA-N -1 1 382.170 2.857 20 10 GFCDMM Cc1ccc(C(N)=O)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765260039 656138987 /nfs/dbraw/zinc/13/89/87/656138987.db2.gz ZMFJURISLDZQTE-UHFFFAOYSA-N -1 1 378.226 2.884 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000765727310 656148944 /nfs/dbraw/zinc/14/89/44/656148944.db2.gz LJXCWLXVXGNMPN-UHFFFAOYSA-N -1 1 375.222 2.969 20 10 GFCDMM CCC[C@@H](C)N1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000765747598 656150255 /nfs/dbraw/zinc/15/02/55/656150255.db2.gz PTXYFQVPXRZAQN-YPMHNXCESA-N -1 1 383.286 2.808 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1Cc2ccccc2C(=O)O1 ZINC000765756347 656151065 /nfs/dbraw/zinc/15/10/65/656151065.db2.gz MSOCCZLQCMRBFZ-CQSZACIVSA-N -1 1 376.206 2.553 20 10 GFCDMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(N3CCSCC3)cc2)sc1C ZINC000771935684 656366968 /nfs/dbraw/zinc/36/69/68/656366968.db2.gz SCYCFNBAAVQMMH-UHFFFAOYSA-N -1 1 383.564 2.792 20 10 GFCDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1O ZINC000795852210 658859560 /nfs/dbraw/zinc/85/95/60/658859560.db2.gz XFBAVZCKDUQDGD-UHFFFAOYSA-N -1 1 390.244 2.964 20 10 GFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc3ccc(Cl)nc3s2)c1 ZINC000798131371 659075134 /nfs/dbraw/zinc/07/51/34/659075134.db2.gz ZVIZKSCGSBGDJP-UHFFFAOYSA-N -1 1 398.853 2.674 20 10 GFCDMM O=C([O-])c1cc(NS(=O)(=O)c2cccc(Br)c2F)ccc1O ZINC000798408180 659100048 /nfs/dbraw/zinc/10/00/48/659100048.db2.gz MXGMDCVAMCNBOH-UHFFFAOYSA-N -1 1 390.186 2.793 20 10 GFCDMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1F ZINC000808115482 659877960 /nfs/dbraw/zinc/87/79/60/659877960.db2.gz GCWFQBVHQFXCTO-UHFFFAOYSA-N -1 1 393.751 2.588 20 10 GFCDMM COC1(CS(=O)(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000867194711 662530029 /nfs/dbraw/zinc/53/00/29/662530029.db2.gz DGIMQPYDURZQDY-UHFFFAOYSA-N -1 1 378.288 2.533 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCN(CC(F)F)C1 ZINC000867831637 662580971 /nfs/dbraw/zinc/58/09/71/662580971.db2.gz AOYIDPHJHBUTNG-LLVKDONJSA-N -1 1 377.229 2.748 20 10 GFCDMM CC1(C)[C@@H](CS(=O)(=O)NCc2cccc(Br)c2[O-])C1(F)F ZINC000882132137 663017758 /nfs/dbraw/zinc/01/77/58/663017758.db2.gz RWDWUTONZKNWBN-SNVBAGLBSA-N -1 1 384.242 2.865 20 10 GFCDMM CC[C@H](NCc1nnc2c(=O)n(C)ccn12)c1cc(Cl)cc(Cl)c1[O-] ZINC000883335909 663053561 /nfs/dbraw/zinc/05/35/61/663053561.db2.gz CNUKAQMCHBOESY-LBPRGKRZSA-N -1 1 382.251 2.681 20 10 GFCDMM CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2cccc(Cl)c2[O-])CC1(F)F ZINC000890763114 663311997 /nfs/dbraw/zinc/31/19/97/663311997.db2.gz NQIWRZCVZHBJCZ-OAHLLOKOSA-N -1 1 376.787 2.964 20 10 GFCDMM O=C1NC2(CO1)CCN(Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC000894444641 663461836 /nfs/dbraw/zinc/46/18/36/663461836.db2.gz MERLXXXZTFEEPJ-UHFFFAOYSA-N -1 1 375.650 2.883 20 10 GFCDMM CN(C)Cc1csc(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000924778916 664661682 /nfs/dbraw/zinc/66/16/82/664661682.db2.gz YYRHQTIAHLOSPL-UHFFFAOYSA-N -1 1 399.314 2.672 20 10 GFCDMM CCCc1n[nH]c(C(=O)NCc2cccc(Br)c2[O-])c1[N+](=O)[O-] ZINC000277628548 563217547 /nfs/dbraw/zinc/21/75/47/563217547.db2.gz WZEXJTTUUGDXRV-UHFFFAOYSA-N -1 1 383.202 2.669 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CSCCS1 ZINC000277813261 563227507 /nfs/dbraw/zinc/22/75/07/563227507.db2.gz VSADMJMQWVTVDF-SNVBAGLBSA-N -1 1 377.329 2.803 20 10 GFCDMM COc1ccc(N2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737098977 598576417 /nfs/dbraw/zinc/57/64/17/598576417.db2.gz JDBXCXPFHHZPLU-UHFFFAOYSA-N -1 1 385.859 2.640 20 10 GFCDMM COc1ccc(N2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737098977 598576418 /nfs/dbraw/zinc/57/64/18/598576418.db2.gz JDBXCXPFHHZPLU-UHFFFAOYSA-N -1 1 385.859 2.640 20 10 GFCDMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCc1ccc(N2CCOCC2)cc1 ZINC000823796459 599491921 /nfs/dbraw/zinc/49/19/21/599491921.db2.gz BMUOEIAMNHGIGD-UHFFFAOYSA-N -1 1 387.447 2.864 20 10 GFCDMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCc1ccc(N2CCOCC2)cc1 ZINC000823796459 599491923 /nfs/dbraw/zinc/49/19/23/599491923.db2.gz BMUOEIAMNHGIGD-UHFFFAOYSA-N -1 1 387.447 2.864 20 10 GFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)COc1ccc(F)cc1 ZINC000739794229 600144894 /nfs/dbraw/zinc/14/48/94/600144894.db2.gz XECOSMIMISAGTF-HNNXBMFYSA-N -1 1 383.803 2.511 20 10 GFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)COc1ccc(F)cc1 ZINC000739794229 600144895 /nfs/dbraw/zinc/14/48/95/600144895.db2.gz XECOSMIMISAGTF-HNNXBMFYSA-N -1 1 383.803 2.511 20 10 GFCDMM COc1cccc(CN2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1O ZINC000833735293 604680539 /nfs/dbraw/zinc/68/05/39/604680539.db2.gz JBRHJWLYGAUQRX-SFHVURJKSA-N -1 1 390.867 2.998 20 10 GFCDMM CC(C)N(CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccc(N(C)C)cc1 ZINC000826935907 604967728 /nfs/dbraw/zinc/96/77/28/604967728.db2.gz NIWYAMCFEIGAFE-UHFFFAOYSA-N -1 1 375.513 2.867 20 10 GFCDMM Oc1ccccc1CN(C[C@@H]1CCCO1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000826511393 608235758 /nfs/dbraw/zinc/23/57/58/608235758.db2.gz NUHWFUOBXIXCNC-NSHDSACASA-N -1 1 392.872 2.868 20 10 GFCDMM Oc1ccccc1CN(C[C@@H]1CCCO1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000826511393 608235760 /nfs/dbraw/zinc/23/57/60/608235760.db2.gz NUHWFUOBXIXCNC-NSHDSACASA-N -1 1 392.872 2.868 20 10 GFCDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)ccc1O ZINC000821192086 660318468 /nfs/dbraw/zinc/31/84/68/660318468.db2.gz RLICCGJZDKALDZ-UHFFFAOYSA-N -1 1 375.855 2.558 20 10 GFCDMM O=C(NCCC(=O)N1CCCCCC1)NCc1cccc(Br)c1[O-] ZINC000277281350 655310851 /nfs/dbraw/zinc/31/08/51/655310851.db2.gz AZIHYDDLTPHGNU-UHFFFAOYSA-N -1 1 398.301 2.747 20 10 GFCDMM COCCOC1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000281777207 655336863 /nfs/dbraw/zinc/33/68/63/655336863.db2.gz ILAHTQXKJQIJCH-UHFFFAOYSA-N -1 1 386.286 2.993 20 10 GFCDMM CN(C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1)S(C)(=O)=O ZINC000289325579 655346694 /nfs/dbraw/zinc/34/66/94/655346694.db2.gz GGXUGNHUZXSLLO-LLVKDONJSA-N -1 1 381.325 2.802 20 10 GFCDMM Cc1cc(C)cc(C(=O)NCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765727826 656149018 /nfs/dbraw/zinc/14/90/18/656149018.db2.gz PKJRSFQOPPNTCT-UHFFFAOYSA-N -1 1 391.265 2.818 20 10 GFCDMM O=C(CNC(=O)CC1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000765733650 656149609 /nfs/dbraw/zinc/14/96/09/656149609.db2.gz ZIHNTNGGIXXJEQ-UHFFFAOYSA-N -1 1 383.286 2.858 20 10 GFCDMM C[S@@](=O)Cc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765737177 656149870 /nfs/dbraw/zinc/14/98/70/656149870.db2.gz RTIWQMSFAKOWBW-JOCHJYFZSA-N -1 1 382.279 2.963 20 10 GFCDMM O=C(Cn1cc(-c2ccccc2)nn1)NCc1cccc(Br)c1[O-] ZINC000765747964 656150535 /nfs/dbraw/zinc/15/05/35/656150535.db2.gz RYFOLTLVLXCMHJ-UHFFFAOYSA-N -1 1 387.237 2.730 20 10 GFCDMM C[C@H](NC(=O)c1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765756421 656151041 /nfs/dbraw/zinc/15/10/41/656151041.db2.gz MWJGHWNXFXAZKB-NSHDSACASA-N -1 1 377.238 2.589 20 10 GFCDMM COc1ccc(N2CCC([N-]S(=O)(=O)c3nc(C)c(C)s3)CC2)cc1 ZINC000771943220 656367160 /nfs/dbraw/zinc/36/71/60/656367160.db2.gz KEDOMKRWIGNKJG-UHFFFAOYSA-N -1 1 381.523 2.716 20 10 GFCDMM O=C(COC(=O)[C@H]1COc2ccc(Br)cc21)c1ccc([O-])c(O)c1 ZINC000784403753 657306452 /nfs/dbraw/zinc/30/64/52/657306452.db2.gz KEYGZODLOFDBNG-LBPRGKRZSA-N -1 1 393.189 2.762 20 10 GFCDMM O=C(COC(=O)[C@@H]1COc2ccc(Br)cc21)c1ccc([O-])c(O)c1 ZINC000784403752 657306631 /nfs/dbraw/zinc/30/66/31/657306631.db2.gz KEYGZODLOFDBNG-GFCCVEGCSA-N -1 1 393.189 2.762 20 10 GFCDMM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115081 659878071 /nfs/dbraw/zinc/87/80/71/659878071.db2.gz NRMOZSPSWFLQAG-UHFFFAOYSA-N -1 1 377.752 2.911 20 10 GFCDMM CS(=O)(=O)CC[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000890760065 663312126 /nfs/dbraw/zinc/31/21/26/663312126.db2.gz ZPYKBBSTWIKICU-OAHLLOKOSA-N -1 1 381.881 2.880 20 10 GFCDMM COc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000821873857 599308747 /nfs/dbraw/zinc/30/87/47/599308747.db2.gz ZCLCPKMTBCDJMV-MDWZMJQESA-N -1 1 385.430 2.874 20 10 GFCDMM COc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)c1 ZINC000821873857 599308749 /nfs/dbraw/zinc/30/87/49/599308749.db2.gz ZCLCPKMTBCDJMV-MDWZMJQESA-N -1 1 385.430 2.874 20 10 GFCDMM Cc1cnn(C[C@@H]2CN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)c1 ZINC000738813017 600431498 /nfs/dbraw/zinc/43/14/98/600431498.db2.gz YTUZDJVKDSTAIU-INIZCTEOSA-N -1 1 381.432 2.650 20 10 GFCDMM CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000825879706 607903005 /nfs/dbraw/zinc/90/30/05/607903005.db2.gz OYYJADZKCJIZGV-KRWDZBQOSA-N -1 1 379.468 2.513 20 10 GFCDMM CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000825879706 607903006 /nfs/dbraw/zinc/90/30/06/607903006.db2.gz OYYJADZKCJIZGV-KRWDZBQOSA-N -1 1 379.468 2.513 20 10 GFCDMM CN(C)c1ccc(CN(C[C@H]2CCCO2)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000825879707 607903091 /nfs/dbraw/zinc/90/30/91/607903091.db2.gz OYYJADZKCJIZGV-QGZVFWFLSA-N -1 1 379.468 2.513 20 10 GFCDMM CN(C)c1ccc(CN(C[C@H]2CCCO2)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000825879707 607903092 /nfs/dbraw/zinc/90/30/92/607903092.db2.gz OYYJADZKCJIZGV-QGZVFWFLSA-N -1 1 379.468 2.513 20 10 GFCDMM CC(C)[C@H](NCC(F)(F)F)C(=O)NCc1cccc(Br)c1[O-] ZINC000834475841 660821828 /nfs/dbraw/zinc/82/18/28/660821828.db2.gz FWNFKQFCSXOIIR-NSHDSACASA-N -1 1 383.208 2.947 20 10 GFCDMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1Cl ZINC000041374305 654625725 /nfs/dbraw/zinc/62/57/25/654625725.db2.gz OTOMQLFWXSGMHP-UHFFFAOYSA-N -1 1 382.869 2.986 20 10 GFCDMM CCCCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000160765426 655124190 /nfs/dbraw/zinc/12/41/90/655124190.db2.gz RNJBHQGUWJWFTP-ZDUSSCGKSA-N -1 1 376.862 2.743 20 10 GFCDMM Cn1ncc(C(=O)NCc2cccc(Br)c2[O-])c1-n1cccc1 ZINC000765747119 656150290 /nfs/dbraw/zinc/15/02/90/656150290.db2.gz MEFHHOFUAXUYBV-UHFFFAOYSA-N -1 1 375.226 2.609 20 10 GFCDMM COC(=O)c1ccccc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765758326 656151287 /nfs/dbraw/zinc/15/12/87/656151287.db2.gz VDAWVWDFAHDMIP-UHFFFAOYSA-N -1 1 378.222 2.800 20 10 GFCDMM O=C(NCCCc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765767280 656151657 /nfs/dbraw/zinc/15/16/57/656151657.db2.gz ZMOCWLPQMPVSSR-UHFFFAOYSA-N -1 1 391.265 2.520 20 10 GFCDMM Cc1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])ccc1F ZINC000765927341 656154932 /nfs/dbraw/zinc/15/49/32/656154932.db2.gz QJMJXCBNTOITHN-UHFFFAOYSA-N -1 1 381.201 2.857 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000765932181 656155474 /nfs/dbraw/zinc/15/54/74/656155474.db2.gz YDCSTMIFSFLDAY-UHFFFAOYSA-N -1 1 389.249 2.898 20 10 GFCDMM CN(C)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1Cl ZINC000769707016 656286779 /nfs/dbraw/zinc/28/67/79/656286779.db2.gz VXULUHLRIIKWJW-UHFFFAOYSA-N -1 1 383.857 2.735 20 10 GFCDMM COc1cc(CC(=O)NCc2cccc(Br)c2[O-])cc(OC)c1O ZINC000790065681 657923127 /nfs/dbraw/zinc/92/31/27/657923127.db2.gz OOHZCKGZDREFTM-UHFFFAOYSA-N -1 1 396.237 2.736 20 10 GFCDMM C[C@H](NCc1nnc2n1CCOC2)c1cc(Br)cc(Cl)c1[O-] ZINC000790740509 658017190 /nfs/dbraw/zinc/01/71/90/658017190.db2.gz YFVVDZCIEVNVLS-QMMMGPOBSA-N -1 1 387.665 2.781 20 10 GFCDMM O=C(COC(=O)c1cnc(Br)c(Cl)c1)c1ccc([O-])c(O)c1 ZINC000792587742 658302816 /nfs/dbraw/zinc/30/28/16/658302816.db2.gz SXAITFUYTPBFBJ-UHFFFAOYSA-N -1 1 386.585 2.948 20 10 GFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000799541112 659197399 /nfs/dbraw/zinc/19/73/99/659197399.db2.gz SBYUIFJGBFYHEW-UHFFFAOYSA-N -1 1 399.266 2.617 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cccc(C2CC2)n1 ZINC000815623642 660126757 /nfs/dbraw/zinc/12/67/57/660126757.db2.gz CPGUSUPFKXCRJD-UHFFFAOYSA-N -1 1 390.237 2.682 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@]12OCCC[C@H]1C2(F)F ZINC000852575722 661867354 /nfs/dbraw/zinc/86/73/54/661867354.db2.gz XLZSRTVYFHTAHC-RISCZKNCSA-N -1 1 391.212 2.768 20 10 GFCDMM COCC(=O)NC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893995877 663435890 /nfs/dbraw/zinc/43/58/90/663435890.db2.gz UYJNSSQRBZLTMK-UHFFFAOYSA-N -1 1 391.693 2.535 20 10 GFCDMM CC(C)O[C@@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCOC1 ZINC000925759546 664674386 /nfs/dbraw/zinc/67/43/86/664674386.db2.gz YRSQOYHYEFJFJG-MRXNPFEDSA-N -1 1 387.274 2.538 20 10 GFCDMM O=C(NCc1nc2c(s1)COCC2)NCc1cccc(Br)c1[O-] ZINC000927693891 664714071 /nfs/dbraw/zinc/71/40/71/664714071.db2.gz IDBYJXZIQGAEIQ-UHFFFAOYSA-N -1 1 398.282 2.683 20 10 GFCDMM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277694980 563221317 /nfs/dbraw/zinc/22/13/17/563221317.db2.gz HGMPSKJDEXOZBK-AAEUAGOBSA-N -1 1 398.301 2.601 20 10 GFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C(N)=O)CC[C@H]2C(F)(F)F)c1[O-] ZINC000372013502 563293469 /nfs/dbraw/zinc/29/34/69/563293469.db2.gz NJTVXHOCSQCMEF-RNCFNFMXSA-N -1 1 378.778 2.876 20 10 GFCDMM Cc1cc(Br)c([O-])c(CNC(c2nccn2C)c2nccn2C)c1 ZINC000527755965 564759564 /nfs/dbraw/zinc/75/95/64/564759564.db2.gz UWDQLDZSJBLDQR-UHFFFAOYSA-N -1 1 390.285 2.809 20 10 GFCDMM COc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000821898120 599309522 /nfs/dbraw/zinc/30/95/22/599309522.db2.gz NBEYURJRGMDAIS-JYRVWZFOSA-N -1 1 385.430 2.874 20 10 GFCDMM COc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S ZINC000821898120 599309525 /nfs/dbraw/zinc/30/95/25/599309525.db2.gz NBEYURJRGMDAIS-JYRVWZFOSA-N -1 1 385.430 2.874 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1CCc1ccccc1 ZINC000823505209 599309737 /nfs/dbraw/zinc/30/97/37/599309737.db2.gz ZEKKVHPRZNBTAB-UVTDQMKNSA-N -1 1 383.458 2.904 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1CCc1ccccc1 ZINC000823505209 599309740 /nfs/dbraw/zinc/30/97/40/599309740.db2.gz ZEKKVHPRZNBTAB-UVTDQMKNSA-N -1 1 383.458 2.904 20 10 GFCDMM Cc1cccc(C)c1OC[C@@H](O)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738690391 600315182 /nfs/dbraw/zinc/31/51/82/600315182.db2.gz SLVARBPCFXORHM-KRWDZBQOSA-N -1 1 393.867 2.989 20 10 GFCDMM Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738690391 600315186 /nfs/dbraw/zinc/31/51/86/600315186.db2.gz SLVARBPCFXORHM-KRWDZBQOSA-N -1 1 393.867 2.989 20 10 GFCDMM Cc1cnn(C[C@H]2CN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)c1 ZINC000738813021 600431554 /nfs/dbraw/zinc/43/15/54/600431554.db2.gz YTUZDJVKDSTAIU-MRXNPFEDSA-N -1 1 381.432 2.650 20 10 GFCDMM O=[N+]([O-])c1ccc(NCc2ccc(N3CCSCC3)cc2)cc1-c1nnn[n-]1 ZINC000826499045 607453244 /nfs/dbraw/zinc/45/32/44/607453244.db2.gz TUCROTZCGIRDSQ-UHFFFAOYSA-N -1 1 397.464 2.940 20 10 GFCDMM O=[N+]([O-])c1ccc(NCc2ccc(N3CCSCC3)cc2)cc1-c1nn[n-]n1 ZINC000826499045 607453246 /nfs/dbraw/zinc/45/32/46/607453246.db2.gz TUCROTZCGIRDSQ-UHFFFAOYSA-N -1 1 397.464 2.940 20 10 GFCDMM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000826800643 604914737 /nfs/dbraw/zinc/91/47/37/604914737.db2.gz PEZOIYHXTIKAMV-HZPDHXFCSA-N -1 1 397.903 2.809 20 10 GFCDMM C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000833829950 605956943 /nfs/dbraw/zinc/95/69/43/605956943.db2.gz HZPNMHBCZKFTFL-KBPBESRZSA-N -1 1 384.432 2.807 20 10 GFCDMM Cc1sc(=O)n(CCC(=O)NCc2cccc(Br)c2[O-])c1C ZINC000277402538 655317301 /nfs/dbraw/zinc/31/73/01/655317301.db2.gz BLMUHCWCCXHEQQ-UHFFFAOYSA-N -1 1 385.283 2.701 20 10 GFCDMM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(O)cc2)cc1OC ZINC000743776461 655731608 /nfs/dbraw/zinc/73/16/08/655731608.db2.gz MMZROKFWEOQVJF-UHFFFAOYSA-N -1 1 388.239 2.973 20 10 GFCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)c1[O-] ZINC000750045811 655810803 /nfs/dbraw/zinc/81/08/03/655810803.db2.gz XRYJGXDUQFBWDY-ZDUSSCGKSA-N -1 1 378.778 2.843 20 10 GFCDMM CO[C@@H](CCNC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000764803596 656120332 /nfs/dbraw/zinc/12/03/32/656120332.db2.gz DBDIEHBYFOEAKD-JTQLQIEISA-N -1 1 385.180 2.921 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc2c(c1)OCC(=O)N2 ZINC000765250591 656138641 /nfs/dbraw/zinc/13/86/41/656138641.db2.gz FJZGRWKCJROFRP-UHFFFAOYSA-N -1 1 392.209 2.807 20 10 GFCDMM Cc1cc2ncc(C(=O)NCc3cccc(Br)c3[O-])c(C)n2n1 ZINC000765731006 656149343 /nfs/dbraw/zinc/14/93/43/656149343.db2.gz FOHFXCSQMVVBAT-UHFFFAOYSA-N -1 1 375.226 2.744 20 10 GFCDMM Cn1c(=O)[nH]c2ccc(C(=O)NCc3cccc(Br)c3[O-])cc21 ZINC000765751943 656150737 /nfs/dbraw/zinc/15/07/37/656150737.db2.gz BCTGWGIJMSWTIW-UHFFFAOYSA-N -1 1 376.210 2.677 20 10 GFCDMM O=C(COC(=O)c1sc(N2CCCC2)nc1Cl)c1ccc([O-])c(O)c1 ZINC000784544996 657316021 /nfs/dbraw/zinc/31/60/21/657316021.db2.gz ITNLVTFVXNTJBS-UHFFFAOYSA-N -1 1 382.825 2.848 20 10 GFCDMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1O ZINC000797820470 659054985 /nfs/dbraw/zinc/05/49/85/659054985.db2.gz ZCYLRCXGPOZJMW-UHFFFAOYSA-N -1 1 375.761 2.692 20 10 GFCDMM COc1ccc(O)c(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000809819545 659942313 /nfs/dbraw/zinc/94/23/13/659942313.db2.gz AKQNKOLIZBHZAY-UHFFFAOYSA-N -1 1 390.776 2.580 20 10 GFCDMM CCOC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])nc1 ZINC000816496049 660158859 /nfs/dbraw/zinc/15/88/59/660158859.db2.gz UORVMIBSQFOBNC-UHFFFAOYSA-N -1 1 379.210 2.656 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cccc2c1OCCC2 ZINC000845920901 661506552 /nfs/dbraw/zinc/50/65/52/661506552.db2.gz IEABTLLEZYGNPH-UHFFFAOYSA-N -1 1 398.278 2.958 20 10 GFCDMM CSCC[C@H](NC(=O)c1ccco1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758739 663311980 /nfs/dbraw/zinc/31/19/80/663311980.db2.gz UWPJRNKKVJDGHJ-ZDUSSCGKSA-N -1 1 382.869 2.807 20 10 GFCDMM CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])[C@@]12CCCO2 ZINC000277635580 563218242 /nfs/dbraw/zinc/21/82/42/563218242.db2.gz XJZRUCFBJAPEAG-CPUCHLNUSA-N -1 1 399.285 2.681 20 10 GFCDMM CC1CCN(c2cccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)c2)CC1 ZINC000736280196 598910950 /nfs/dbraw/zinc/91/09/50/598910950.db2.gz OGFBJFUDNURDOS-UHFFFAOYSA-N -1 1 398.492 2.904 20 10 GFCDMM O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000739658215 600705691 /nfs/dbraw/zinc/70/56/91/600705691.db2.gz NUOZCTRWSLKAHX-CQSZACIVSA-N -1 1 387.457 2.721 20 10 GFCDMM O=S(=O)([N-]Cc1ccc(N2CCOCC2)c(F)c1)c1sccc1Cl ZINC000830082758 660633137 /nfs/dbraw/zinc/63/31/37/660633137.db2.gz QUFYBJOJWXNDJR-UHFFFAOYSA-N -1 1 390.889 2.856 20 10 GFCDMM CSc1nnc(CNC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000277456398 655320101 /nfs/dbraw/zinc/32/01/01/655320101.db2.gz NRAARJVKBJGRTK-UHFFFAOYSA-N -1 1 389.300 2.728 20 10 GFCDMM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)ccc1O ZINC000326762009 655385183 /nfs/dbraw/zinc/38/51/83/655385183.db2.gz OOFKKQLOAMEAFG-UHFFFAOYSA-N -1 1 377.296 2.790 20 10 GFCDMM CN(CCCNC(=O)NCc1cccc(Br)c1[O-])CC(F)(F)F ZINC000764766281 656119339 /nfs/dbraw/zinc/11/93/39/656119339.db2.gz ZBWZYSRMIVDPLI-UHFFFAOYSA-N -1 1 398.223 2.838 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCN(CC(F)(F)F)C1 ZINC000764791627 656119835 /nfs/dbraw/zinc/11/98/35/656119835.db2.gz OTRSGGHVYMMVGY-JTQLQIEISA-N -1 1 396.207 2.591 20 10 GFCDMM C[C@@H](CC(=O)NCc1cccc(Br)c1[O-])NC(=O)c1ccccc1 ZINC000765727898 656148895 /nfs/dbraw/zinc/14/88/95/656148895.db2.gz QMYBTKPVKZLHMH-LBPRGKRZSA-N -1 1 391.265 2.980 20 10 GFCDMM Cc1[nH]nc2nc(C)cc(C(=O)NCc3cccc(Br)c3[O-])c12 ZINC000765726056 656148962 /nfs/dbraw/zinc/14/89/62/656148962.db2.gz DYZAHHRHHUUQTA-UHFFFAOYSA-N -1 1 375.226 2.973 20 10 GFCDMM CC(C)n1cnnc1SCC(=O)NCc1cccc(Br)c1[O-] ZINC000765728489 656149250 /nfs/dbraw/zinc/14/92/50/656149250.db2.gz UCHADBKNFSRRQQ-UHFFFAOYSA-N -1 1 385.287 2.736 20 10 GFCDMM O=C(CCNC(=O)c1cccs1)NCc1cccc(Br)c1[O-] ZINC000765736563 656149531 /nfs/dbraw/zinc/14/95/31/656149531.db2.gz ONLDMCJNHGDPNG-UHFFFAOYSA-N -1 1 383.267 2.653 20 10 GFCDMM CCC[C@@H](C)N1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000765747592 656150259 /nfs/dbraw/zinc/15/02/59/656150259.db2.gz PTXYFQVPXRZAQN-DGCLKSJQSA-N -1 1 383.286 2.808 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnn(CC(F)(F)F)c1 ZINC000765750409 656150510 /nfs/dbraw/zinc/15/05/10/656150510.db2.gz FZYRTUZXHKRZOW-UHFFFAOYSA-N -1 1 378.148 2.844 20 10 GFCDMM Cn1cc(C(=O)NCc2cccc(Br)c2[O-])c(-c2ccncc2)n1 ZINC000765751125 656150812 /nfs/dbraw/zinc/15/08/12/656150812.db2.gz OYXKCZXIHSLQIR-UHFFFAOYSA-N -1 1 387.237 2.880 20 10 GFCDMM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765767282 656151548 /nfs/dbraw/zinc/15/15/48/656151548.db2.gz ZOIIXJXKRTVUBJ-GFCCVEGCSA-N -1 1 385.258 2.780 20 10 GFCDMM Cc1c(F)cccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765904404 656154581 /nfs/dbraw/zinc/15/45/81/656154581.db2.gz TVOCAQPTQZGNMS-UHFFFAOYSA-N -1 1 381.201 2.857 20 10 GFCDMM Cc1ccc(Cl)c(NC(=S)NNc2nc(=O)c3cnn(C)c3[n-]2)c1Cl ZINC000769795403 656292119 /nfs/dbraw/zinc/29/21/19/656292119.db2.gz SDVYHKBKUBQDJP-UHFFFAOYSA-N -1 1 398.279 2.998 20 10 GFCDMM Cc1nc(Cl)ccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000789782455 657890329 /nfs/dbraw/zinc/89/03/29/657890329.db2.gz GDNPHGUXQGEYBH-UHFFFAOYSA-N -1 1 398.644 2.766 20 10 GFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000792701914 658312630 /nfs/dbraw/zinc/31/26/30/658312630.db2.gz HIBJWIZKFJSEKO-UHFFFAOYSA-N -1 1 387.504 2.627 20 10 GFCDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cc(Br)ccc1O ZINC000804736970 659677094 /nfs/dbraw/zinc/67/70/94/659677094.db2.gz GXWXFTALBPPGTL-UHFFFAOYSA-N -1 1 384.255 2.611 20 10 GFCDMM COc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c([N+](=O)[O-])c1 ZINC000808115297 659878003 /nfs/dbraw/zinc/87/80/03/659878003.db2.gz WRXKNHRZVMVIAM-UHFFFAOYSA-N -1 1 376.749 2.902 20 10 GFCDMM CNS(=O)(=O)c1ccc(C)c(NCc2cccc(Br)c2[O-])c1 ZINC000386878777 677407565 /nfs/dbraw/zinc/40/75/65/677407565.db2.gz FAAYQQXQMZJSNY-UHFFFAOYSA-N -1 1 385.283 2.983 20 10 GFCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])n(C2CCOCC2)n1 ZINC000529168245 564823376 /nfs/dbraw/zinc/82/33/76/564823376.db2.gz FXGSESBRCUNHFW-UHFFFAOYSA-N -1 1 394.269 2.941 20 10 GFCDMM Cc1cc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)n1-c1ccccc1 ZINC000737262214 599019673 /nfs/dbraw/zinc/01/96/73/599019673.db2.gz KYTQRKNEHIMHMS-UHFFFAOYSA-N -1 1 387.447 2.642 20 10 GFCDMM Cc1cc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)n1-c1ccccc1 ZINC000737262214 599019674 /nfs/dbraw/zinc/01/96/74/599019674.db2.gz KYTQRKNEHIMHMS-UHFFFAOYSA-N -1 1 387.447 2.642 20 10 GFCDMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(N2CCOCC2)cc1 ZINC000736134288 598577638 /nfs/dbraw/zinc/57/76/38/598577638.db2.gz ASNVXVDZUIUXDE-LBPRGKRZSA-N -1 1 385.859 2.925 20 10 GFCDMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(N2CCOCC2)cc1 ZINC000736134288 598577639 /nfs/dbraw/zinc/57/76/39/598577639.db2.gz ASNVXVDZUIUXDE-LBPRGKRZSA-N -1 1 385.859 2.925 20 10 GFCDMM COc1ccc(NC(=O)CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000738027869 600315117 /nfs/dbraw/zinc/31/51/17/600315117.db2.gz IHAZSLMKJCBIIL-UHFFFAOYSA-N -1 1 392.839 2.970 20 10 GFCDMM COc1ccc(NC(=O)CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000738027869 600315121 /nfs/dbraw/zinc/31/51/21/600315121.db2.gz IHAZSLMKJCBIIL-UHFFFAOYSA-N -1 1 392.839 2.970 20 10 GFCDMM COc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1C(=O)[O-] ZINC000738069495 600659546 /nfs/dbraw/zinc/65/95/46/600659546.db2.gz BHKJTQFWEOQFST-UHFFFAOYSA-N -1 1 391.430 2.713 20 10 GFCDMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1-c1cc(C)cc(C)c1 ZINC000826263955 608892464 /nfs/dbraw/zinc/89/24/64/608892464.db2.gz XIVGUOPGMWTZHG-UHFFFAOYSA-N -1 1 375.436 2.970 20 10 GFCDMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000826263955 608892466 /nfs/dbraw/zinc/89/24/66/608892466.db2.gz XIVGUOPGMWTZHG-UHFFFAOYSA-N -1 1 375.436 2.970 20 10 GFCDMM C[C@]1(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CC1(Cl)Cl ZINC000834873393 660836508 /nfs/dbraw/zinc/83/65/08/660836508.db2.gz HZVXBHLIFFOBKL-ZDUSSCGKSA-N -1 1 392.264 2.940 20 10 GFCDMM O=C(Cn1c(=O)onc1-c1cccc(Br)c1)c1ccc([O-])c(O)c1 ZINC000194704484 655417088 /nfs/dbraw/zinc/41/70/88/655417088.db2.gz VGYYLINKSZAAMY-UHFFFAOYSA-N -1 1 391.177 2.560 20 10 GFCDMM CSc1nc(C)c(CCC(=O)NCCCSc2nccs2)c(=O)[n-]1 ZINC000733884319 655622626 /nfs/dbraw/zinc/62/26/26/655622626.db2.gz QONXYIPITXOIRT-UHFFFAOYSA-N -1 1 384.552 2.900 20 10 GFCDMM O=C(CNC(=O)OCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765730261 656149320 /nfs/dbraw/zinc/14/93/20/656149320.db2.gz RNJMYSVQYBSWMZ-UHFFFAOYSA-N -1 1 393.237 2.697 20 10 GFCDMM CS(=O)(=O)Cc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765737224 656149795 /nfs/dbraw/zinc/14/97/95/656149795.db2.gz SDKOZQUTCMZTHG-UHFFFAOYSA-N -1 1 398.278 2.629 20 10 GFCDMM Cn1cc(-c2c[nH]cc2C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765750176 656150506 /nfs/dbraw/zinc/15/05/06/656150506.db2.gz ACFXXQGGDOVHFX-UHFFFAOYSA-N -1 1 375.226 2.813 20 10 GFCDMM Cc1cc2nc(C)cc(C(=O)NCc3cccc(Br)c3[O-])n2n1 ZINC000765751121 656150749 /nfs/dbraw/zinc/15/07/49/656150749.db2.gz OOFSSGWXYNLOLL-UHFFFAOYSA-N -1 1 375.226 2.744 20 10 GFCDMM C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765756955 656151339 /nfs/dbraw/zinc/15/13/39/656151339.db2.gz PCQWOIJCMXDDKJ-QLJPJBMISA-N -1 1 378.222 2.999 20 10 GFCDMM COCc1ccccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765930073 656155219 /nfs/dbraw/zinc/15/52/19/656155219.db2.gz HBQDUAAQCQFQQP-UHFFFAOYSA-N -1 1 393.237 2.556 20 10 GFCDMM COc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000765932456 656155461 /nfs/dbraw/zinc/15/54/61/656155461.db2.gz YVTVFRIQGMEIDG-UHFFFAOYSA-N -1 1 393.237 2.727 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)c3cccn3C)CC2)c1 ZINC000781895462 657086890 /nfs/dbraw/zinc/08/68/90/657086890.db2.gz SVNCPWTWQGDWIC-UHFFFAOYSA-N -1 1 392.297 2.760 20 10 GFCDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Br)ccc2O)s1 ZINC000796191625 658899859 /nfs/dbraw/zinc/89/98/59/658899859.db2.gz NGMTUAQUZMUXTM-UHFFFAOYSA-N -1 1 393.240 2.603 20 10 GFCDMM O=C(NCCCO)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000798083617 659073548 /nfs/dbraw/zinc/07/35/48/659073548.db2.gz GPPFYSSZIDTZBC-UHFFFAOYSA-N -1 1 379.254 2.879 20 10 GFCDMM CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cccc(Cl)c2[O-])CC1(F)F ZINC000890763113 663311986 /nfs/dbraw/zinc/31/19/86/663311986.db2.gz NQIWRZCVZHBJCZ-HNNXBMFYSA-N -1 1 376.787 2.964 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCN(CC(F)(F)F)C1 ZINC000281094478 563366116 /nfs/dbraw/zinc/36/61/16/563366116.db2.gz CELRZWLTZNIHAH-SNVBAGLBSA-N -1 1 381.192 2.655 20 10 GFCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736819316 599019609 /nfs/dbraw/zinc/01/96/09/599019609.db2.gz JJMPKGDZUHRDAV-UHFFFAOYSA-N -1 1 377.452 2.524 20 10 GFCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736819316 599019611 /nfs/dbraw/zinc/01/96/11/599019611.db2.gz JJMPKGDZUHRDAV-UHFFFAOYSA-N -1 1 377.452 2.524 20 10 GFCDMM OCC1CCN(c2ccc(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)cc2)CC1 ZINC000738394393 598576759 /nfs/dbraw/zinc/57/67/59/598576759.db2.gz QYOFBRZYKYGBQU-UHFFFAOYSA-N -1 1 399.886 2.736 20 10 GFCDMM OCC1CCN(c2ccc(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)cc2)CC1 ZINC000738394393 598576761 /nfs/dbraw/zinc/57/67/61/598576761.db2.gz QYOFBRZYKYGBQU-UHFFFAOYSA-N -1 1 399.886 2.736 20 10 GFCDMM Cc1cc(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c(C)n1-c1ccccc1C ZINC000737418118 598675622 /nfs/dbraw/zinc/67/56/22/598675622.db2.gz MVLISOBZKXLHSV-UHFFFAOYSA-N -1 1 388.431 2.627 20 10 GFCDMM CCOCCN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CC ZINC000737177806 600214335 /nfs/dbraw/zinc/21/43/35/600214335.db2.gz SQIDBSLEKUQHAD-BVBGJJFLSA-N -1 1 377.441 2.630 20 10 GFCDMM C[C@@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CC[C@H]1NC(=O)[O-] ZINC000739189187 603399575 /nfs/dbraw/zinc/39/95/75/603399575.db2.gz ZLFBXCBDZLQROD-CXAGYDPISA-N -1 1 384.432 2.807 20 10 GFCDMM CC(C)(O)[C@H](Oc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000834476047 660821857 /nfs/dbraw/zinc/82/18/57/660821857.db2.gz LSNXWIYTDOKMHE-MRXNPFEDSA-N -1 1 394.265 2.989 20 10 GFCDMM CCCC(=O)N1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277472024 655321409 /nfs/dbraw/zinc/32/14/09/655321409.db2.gz HYFFAUIVBQIIEU-CYBMUJFWSA-N -1 1 383.286 2.810 20 10 GFCDMM O=C([O-])c1cc(Br)c(S(=O)(=O)Nc2ccc(O)cc2F)s1 ZINC000758169556 655925142 /nfs/dbraw/zinc/92/51/42/655925142.db2.gz SJGWEANQCTYHHM-UHFFFAOYSA-N -1 1 396.215 2.854 20 10 GFCDMM COC(=O)c1cn([C@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)nn1 ZINC000762794426 656059001 /nfs/dbraw/zinc/05/90/01/656059001.db2.gz LFDUVCGVBIUPCU-LBPRGKRZSA-N -1 1 385.251 2.914 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(N2CCOCC2)cc1 ZINC000765746384 656150271 /nfs/dbraw/zinc/15/02/71/656150271.db2.gz GGDDLOMQSZPZRR-UHFFFAOYSA-N -1 1 391.265 2.921 20 10 GFCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1-c1ccccn1 ZINC000765755113 656151022 /nfs/dbraw/zinc/15/10/22/656151022.db2.gz ZYSQSAQHVNBAJO-UHFFFAOYSA-N -1 1 387.237 2.974 20 10 GFCDMM CC(=O)Nc1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765757569 656151278 /nfs/dbraw/zinc/15/12/78/656151278.db2.gz QPCWOVVURDNREI-UHFFFAOYSA-N -1 1 377.238 2.972 20 10 GFCDMM Cc1ccc(F)c(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765925114 656154947 /nfs/dbraw/zinc/15/49/47/656154947.db2.gz DSBMACZQAIGPII-UHFFFAOYSA-N -1 1 381.201 2.857 20 10 GFCDMM CCc1ncc(S(=O)(=O)NCc2cccc(Br)c2[O-])s1 ZINC000766200850 656164860 /nfs/dbraw/zinc/16/48/60/656164860.db2.gz OQTNQQVVZLHRKB-UHFFFAOYSA-N -1 1 377.285 2.652 20 10 GFCDMM CSc1cccnc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000771478055 656350094 /nfs/dbraw/zinc/35/00/94/656350094.db2.gz JWRQQLHBPDAEDV-UHFFFAOYSA-N -1 1 378.435 2.598 20 10 GFCDMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1 ZINC000776750380 656792100 /nfs/dbraw/zinc/79/21/00/656792100.db2.gz BWUZQVULELJQID-UHFFFAOYSA-N -1 1 375.855 2.640 20 10 GFCDMM O=C(Cn1ccc2ccccc2c1=O)NCc1cccc(Br)c1[O-] ZINC000790964921 658050279 /nfs/dbraw/zinc/05/02/79/658050279.db2.gz YVZUHWHVAROPGK-UHFFFAOYSA-N -1 1 387.233 2.786 20 10 GFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CCNC(C)=O)cc1 ZINC000792701941 658312524 /nfs/dbraw/zinc/31/25/24/658312524.db2.gz IKDCWDZDRLAYKZ-UHFFFAOYSA-N -1 1 380.491 2.594 20 10 GFCDMM CCn1ncnc1CNCc1cc(Br)cc(Br)c1[O-] ZINC000793343036 658387552 /nfs/dbraw/zinc/38/75/52/658387552.db2.gz ICVBCJKNPHHQHT-UHFFFAOYSA-N -1 1 390.079 2.818 20 10 GFCDMM O=C(NCCOC1CCSCC1)NCc1cccc(Br)c1[O-] ZINC000899065155 663673959 /nfs/dbraw/zinc/67/39/59/663673959.db2.gz OVORAAKYANVJGL-UHFFFAOYSA-N -1 1 389.315 2.866 20 10 GFCDMM COCCNS(=O)(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000922368764 664597359 /nfs/dbraw/zinc/59/73/59/664597359.db2.gz LIZXEUWIENIEPZ-UHFFFAOYSA-N -1 1 388.848 2.722 20 10 GFCDMM COC[C@](C)(NC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000932327812 664819627 /nfs/dbraw/zinc/81/96/27/664819627.db2.gz XMKXZQNYQHUACT-LBPRGKRZSA-N -1 1 385.180 2.921 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000932997946 664846510 /nfs/dbraw/zinc/84/65/10/664846510.db2.gz HLARCTBDNUIRBP-CABZTGNLSA-N -1 1 397.191 2.921 20 10 GFCDMM CCOCc1nc([C@H](C)NC(=O)NCc2cccc(Br)c2[O-])no1 ZINC000290979476 563728729 /nfs/dbraw/zinc/72/87/29/563728729.db2.gz CRSHFTUOKGDREH-VIFPVBQESA-N -1 1 399.245 2.635 20 10 GFCDMM COc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000821898123 599309424 /nfs/dbraw/zinc/30/94/24/599309424.db2.gz NBEYURJRGMDAIS-MDWZMJQESA-N -1 1 385.430 2.874 20 10 GFCDMM COc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S ZINC000821898123 599309427 /nfs/dbraw/zinc/30/94/27/599309427.db2.gz NBEYURJRGMDAIS-MDWZMJQESA-N -1 1 385.430 2.874 20 10 GFCDMM CN(C)c1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000821589516 599379161 /nfs/dbraw/zinc/37/91/61/599379161.db2.gz RAZLASFWHSAKEF-ZROIWOOFSA-N -1 1 398.473 2.932 20 10 GFCDMM CN(C)c1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1 ZINC000821589516 599379163 /nfs/dbraw/zinc/37/91/63/599379163.db2.gz RAZLASFWHSAKEF-ZROIWOOFSA-N -1 1 398.473 2.932 20 10 GFCDMM C[C@@H]1CN(c2ccc(CNc3cccc(-c4nnn[n-]4)n3)cc2F)C[C@H](C)O1 ZINC000736287026 599413626 /nfs/dbraw/zinc/41/36/26/599413626.db2.gz CYKCBLJDDKDCRX-BETUJISGSA-N -1 1 383.431 2.627 20 10 GFCDMM C[C@@H]1CN(c2ccc(CNc3cccc(-c4nn[n-]n4)n3)cc2F)C[C@H](C)O1 ZINC000736287026 599413630 /nfs/dbraw/zinc/41/36/30/599413630.db2.gz CYKCBLJDDKDCRX-BETUJISGSA-N -1 1 383.431 2.627 20 10 GFCDMM CCn1cc(CN2CCCN(c3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CC2)cn1 ZINC000737300785 600215413 /nfs/dbraw/zinc/21/54/13/600215413.db2.gz FBUQIXGHGANLOD-ALCCZGGFSA-N -1 1 399.451 2.621 20 10 GFCDMM O=C([O-])c1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000833328266 604916158 /nfs/dbraw/zinc/91/61/58/604916158.db2.gz GLYPGLZEWLGRBR-AWEZNQCLSA-N -1 1 389.839 2.533 20 10 GFCDMM CC(=O)NC[C@H](CC(=O)NCc1cccc(Br)c1[O-])CC(C)C ZINC000830530298 660661788 /nfs/dbraw/zinc/66/17/88/660661788.db2.gz YTGOVEQVKZPRNF-ZDUSSCGKSA-N -1 1 385.302 2.959 20 10 GFCDMM CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000159421654 655114345 /nfs/dbraw/zinc/11/43/45/655114345.db2.gz DBOIZQNJXZEEKF-CYBMUJFWSA-N -1 1 381.325 2.993 20 10 GFCDMM O=S(=O)(Nc1cc(Br)ccc1O)c1cc(F)cc(F)c1[O-] ZINC000753018454 655849371 /nfs/dbraw/zinc/84/93/71/655849371.db2.gz WUHBFURJMRLTJE-UHFFFAOYSA-N -1 1 380.166 2.939 20 10 GFCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])C(=O)N1CCCC[C@@H]1C ZINC000764770448 656119351 /nfs/dbraw/zinc/11/93/51/656119351.db2.gz QVGZGOGXQQOUPE-RYUDHWBXSA-N -1 1 398.301 2.743 20 10 GFCDMM CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765736045 656149587 /nfs/dbraw/zinc/14/95/87/656149587.db2.gz KBAIQKYDSCOKDH-INIZCTEOSA-N -1 1 389.249 2.749 20 10 GFCDMM O=C(CCNC(=O)c1ccsc1)NCc1cccc(Br)c1[O-] ZINC000765750918 656150710 /nfs/dbraw/zinc/15/07/10/656150710.db2.gz NMVJLSLESZTSTI-UHFFFAOYSA-N -1 1 383.267 2.653 20 10 GFCDMM CCOC(=O)c1cnc(C)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765765376 656151603 /nfs/dbraw/zinc/15/16/03/656151603.db2.gz RIDRXACKJXRWHB-UHFFFAOYSA-N -1 1 393.237 2.965 20 10 GFCDMM Cc1nn(C)c2nc(C)cc(C(=O)NCc3cccc(Br)c3[O-])c12 ZINC000765765289 656151635 /nfs/dbraw/zinc/15/16/35/656151635.db2.gz RCQMATUHVVNMMU-UHFFFAOYSA-N -1 1 389.253 2.983 20 10 GFCDMM Cc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000765932457 656155513 /nfs/dbraw/zinc/15/55/13/656155513.db2.gz YZFQJGLGQQMZPQ-UHFFFAOYSA-N -1 1 381.201 2.857 20 10 GFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCSc3ccccc32)c1 ZINC000769660062 656284498 /nfs/dbraw/zinc/28/44/98/656284498.db2.gz XLJOVTZKKSMABX-UHFFFAOYSA-N -1 1 378.475 2.906 20 10 GFCDMM CN1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])c2ccccc2C1=O ZINC000787581493 657571771 /nfs/dbraw/zinc/57/17/71/657571771.db2.gz NNKMUKMLCLMWJJ-CQSZACIVSA-N -1 1 389.249 2.640 20 10 GFCDMM CC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@H](C)S1(=O)=O ZINC000809725318 659937417 /nfs/dbraw/zinc/93/74/17/659937417.db2.gz OLQHKVQIHSKLNT-WCQYABFASA-N -1 1 376.316 2.861 20 10 GFCDMM O=S(=O)(NC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1)C1CC1 ZINC000809784451 659939267 /nfs/dbraw/zinc/93/92/67/659939267.db2.gz KJOLAWYWLNEXOZ-NSHDSACASA-N -1 1 393.336 2.993 20 10 GFCDMM O=C1[N-]C(=S)S/C1=C/c1cc(I)cc([N+](=O)[O-])c1 ZINC000811626837 660013795 /nfs/dbraw/zinc/01/37/95/660013795.db2.gz MGHYGRXHGSYIOA-FPYGCLRLSA-N -1 1 392.199 2.688 20 10 GFCDMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cccc(Br)c3[O-])C2)cn1 ZINC000874051115 662821474 /nfs/dbraw/zinc/82/14/74/662821474.db2.gz OGXRFACYJMMJGW-QWHCGFSZSA-N -1 1 394.269 2.579 20 10 GFCDMM CC(C)Cn1cccc(C(=O)NCc2cccc(Br)c2[O-])c1=O ZINC000935662074 664979303 /nfs/dbraw/zinc/97/93/03/664979303.db2.gz AIVPZXXQYPZDJZ-UHFFFAOYSA-N -1 1 379.254 2.902 20 10 GFCDMM CN1CCC(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])c([O-])c3)SC2=S)CC1 ZINC000299535924 563385692 /nfs/dbraw/zinc/38/56/92/563385692.db2.gz HUBJXUXVCKBSCS-ZROIWOOFSA-N -1 1 379.463 2.596 20 10 GFCDMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1 ZINC000737301774 598969445 /nfs/dbraw/zinc/96/94/45/598969445.db2.gz UEWOFTXQGCKOIN-UHFFFAOYSA-N -1 1 384.465 2.576 20 10 GFCDMM FC(F)Oc1ccc(N2CCC(Nc3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737639382 599424907 /nfs/dbraw/zinc/42/49/07/599424907.db2.gz SJDJPJOFUVTSHX-UHFFFAOYSA-N -1 1 387.394 2.944 20 10 GFCDMM FC(F)Oc1ccc(N2CCC(Nc3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737639382 599424909 /nfs/dbraw/zinc/42/49/09/599424909.db2.gz SJDJPJOFUVTSHX-UHFFFAOYSA-N -1 1 387.394 2.944 20 10 GFCDMM Cc1cc(C)n(C[C@H]2CN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)n1 ZINC000738368589 600427057 /nfs/dbraw/zinc/42/70/57/600427057.db2.gz ICXKOAHTXYRLEM-QGZVFWFLSA-N -1 1 395.459 2.958 20 10 GFCDMM COc1cc(Cl)cc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1O ZINC000827849662 660519426 /nfs/dbraw/zinc/51/94/26/660519426.db2.gz HLYCKTJYHCUFEV-SKDRFNHKSA-N -1 1 380.794 2.943 20 10 GFCDMM CC(C)(C)c1nnc(CNC(=O)NCc2cccc(Br)c2[O-])[nH]1 ZINC000838753834 661056019 /nfs/dbraw/zinc/05/60/19/661056019.db2.gz AHDTWNKEYMVCJZ-UHFFFAOYSA-N -1 1 382.262 2.570 20 10 GFCDMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1cccc2nonc21 ZINC000765041545 656127114 /nfs/dbraw/zinc/12/71/14/656127114.db2.gz YFKABVVPVJXUPC-UHFFFAOYSA-N -1 1 381.797 2.838 20 10 GFCDMM COC(=O)c1cncc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765315865 656140351 /nfs/dbraw/zinc/14/03/51/656140351.db2.gz CVPFFWFTWKGRED-UHFFFAOYSA-N -1 1 380.198 2.658 20 10 GFCDMM O=C(NCc1cn2ccccc2n1)NCc1cccc(Br)c1[O-] ZINC000765453558 656143240 /nfs/dbraw/zinc/14/32/40/656143240.db2.gz NXBMLGYVEMGQIH-UHFFFAOYSA-N -1 1 375.226 2.802 20 10 GFCDMM Cn1cc(C(=O)NCc2cccc(Br)c2[O-])c(C(F)(F)F)n1 ZINC000765733626 656149557 /nfs/dbraw/zinc/14/95/57/656149557.db2.gz ZARZBJYTBTYURX-UHFFFAOYSA-N -1 1 378.148 2.837 20 10 GFCDMM COc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000765902541 656154332 /nfs/dbraw/zinc/15/43/32/656154332.db2.gz ACQWHMCZOZLIHT-UHFFFAOYSA-N -1 1 397.200 2.557 20 10 GFCDMM Cc1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])cnc1Cl ZINC000766201994 656164773 /nfs/dbraw/zinc/16/47/73/656164773.db2.gz YJVHGUPXASYGKN-UHFFFAOYSA-N -1 1 391.674 2.990 20 10 GFCDMM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CS(=O)(=O)Cc3ccccc32)c1[O-] ZINC000857061923 662062094 /nfs/dbraw/zinc/06/20/94/662062094.db2.gz WTUSKBNBRKEQPK-CQSZACIVSA-N -1 1 382.825 2.713 20 10 GFCDMM COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cc(C)cc(Br)c1[O-] ZINC000862515922 662289562 /nfs/dbraw/zinc/28/95/62/662289562.db2.gz GBRXTBMXLLJWSN-IUODEOHRSA-N -1 1 386.286 2.911 20 10 GFCDMM Cn1ncc(I)c1CNCc1cc(Cl)cc(F)c1[O-] ZINC000877776619 662883476 /nfs/dbraw/zinc/88/34/76/662883476.db2.gz RFOKJLAUCWFBGT-UHFFFAOYSA-N -1 1 395.603 2.813 20 10 GFCDMM Cn1cc(CNCc2cccc(Cl)c2[O-])c(I)n1 ZINC000898215996 663638814 /nfs/dbraw/zinc/63/88/14/663638814.db2.gz STDCTTNMKHXFNZ-UHFFFAOYSA-N -1 1 377.613 2.674 20 10 GFCDMM COCCOc1ccc(F)cc1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908329572 664099444 /nfs/dbraw/zinc/09/94/44/664099444.db2.gz RRKSRHIAJKHFAI-UHFFFAOYSA-N -1 1 389.832 2.688 20 10 GFCDMM O=C(COC(=O)c1ccccc1I)c1ccc([O-])c(O)c1 ZINC000916589882 664465627 /nfs/dbraw/zinc/46/56/27/664465627.db2.gz BUNMSHOWZRARSQ-UHFFFAOYSA-N -1 1 398.152 2.742 20 10 GFCDMM CCCS(=O)(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000180020215 552210462 /nfs/dbraw/zinc/21/04/62/552210462.db2.gz YBJDJRSXZHQNSF-UHFFFAOYSA-N -1 1 381.325 2.993 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1Cc1cccs1 ZINC000823504499 599312504 /nfs/dbraw/zinc/31/25/04/599312504.db2.gz QXNNQIXCPOQOCH-WDZFZDKYSA-N -1 1 375.460 2.923 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1Cc1cccs1 ZINC000823504499 599312506 /nfs/dbraw/zinc/31/25/06/599312506.db2.gz QXNNQIXCPOQOCH-WDZFZDKYSA-N -1 1 375.460 2.923 20 10 GFCDMM CN(C)c1ccc([C@@H](CNC(=O)c2ccc(O)c(Cl)c2)NC(=O)[O-])cc1 ZINC000828064858 603931981 /nfs/dbraw/zinc/93/19/81/603931981.db2.gz ZZFVBFLKJDDNMZ-OAHLLOKOSA-N -1 1 377.828 2.850 20 10 GFCDMM O=C([O-])[C@H]1CCCN1Cc1cc(Br)cc(Br)c1O ZINC000833772440 605230488 /nfs/dbraw/zinc/23/04/88/605230488.db2.gz MSHNDXYABCJDSV-SNVBAGLBSA-N -1 1 379.048 2.966 20 10 GFCDMM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(-c2nnn[n-]2)s1 ZINC000823290228 606276546 /nfs/dbraw/zinc/27/65/46/606276546.db2.gz VEZKZDLNWSXOCL-UHFFFAOYSA-N -1 1 388.416 2.890 20 10 GFCDMM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(-c2nn[n-]n2)s1 ZINC000823290228 606276548 /nfs/dbraw/zinc/27/65/48/606276548.db2.gz VEZKZDLNWSXOCL-UHFFFAOYSA-N -1 1 388.416 2.890 20 10 GFCDMM C[C@H](NCc1cc(Br)cc(Br)c1[O-])c1ncnn1C ZINC000276515164 655277942 /nfs/dbraw/zinc/27/79/42/655277942.db2.gz ULOKJVJAXZYZDN-ZETCQYMHSA-N -1 1 390.079 2.897 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000277272741 655310579 /nfs/dbraw/zinc/31/05/79/655310579.db2.gz AGNJWJXUZIJURR-DFBGVHRSSA-N -1 1 381.270 2.912 20 10 GFCDMM Cn1ncc2c1CCC[C@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000277364633 655315004 /nfs/dbraw/zinc/31/50/04/655315004.db2.gz HCOCYUFNUZDBMU-CYBMUJFWSA-N -1 1 379.258 2.765 20 10 GFCDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1O ZINC000318846791 655381280 /nfs/dbraw/zinc/38/12/80/655381280.db2.gz ZMLUMCQTFMXNKB-UHFFFAOYSA-N -1 1 387.211 2.541 20 10 GFCDMM CN(C)c1ncccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764763301 656118906 /nfs/dbraw/zinc/11/89/06/656118906.db2.gz UKNDLSJDQVNKBR-UHFFFAOYSA-N -1 1 379.258 2.615 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000764791629 656119874 /nfs/dbraw/zinc/11/98/74/656119874.db2.gz OTRSGGHVYMMVGY-SNVBAGLBSA-N -1 1 396.207 2.591 20 10 GFCDMM COC(=O)c1cc(NC(=O)NCc2cccc(Br)c2[O-])cn1C ZINC000765315486 656140083 /nfs/dbraw/zinc/14/00/83/656140083.db2.gz JWLYPMCVXQAESN-UHFFFAOYSA-N -1 1 382.214 2.602 20 10 GFCDMM CS(=O)(=O)Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765731256 656149266 /nfs/dbraw/zinc/14/92/66/656149266.db2.gz ISMVMERCBIIDQZ-UHFFFAOYSA-N -1 1 398.278 2.629 20 10 GFCDMM O=C(COCCOc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765746092 656150326 /nfs/dbraw/zinc/15/03/26/656150326.db2.gz DHGWEERLLFMQNO-UHFFFAOYSA-N -1 1 380.238 2.867 20 10 GFCDMM Cc1ccc(C(=O)NCC(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000765752963 656150818 /nfs/dbraw/zinc/15/08/18/656150818.db2.gz KLTHRFUSFKGGEK-UHFFFAOYSA-N -1 1 391.265 2.818 20 10 GFCDMM Cn1nc(Br)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765756293 656150965 /nfs/dbraw/zinc/15/09/65/656150965.db2.gz MFJBKERRWRJQHZ-UHFFFAOYSA-N -1 1 389.047 2.581 20 10 GFCDMM O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cccc(Br)c1[O-] ZINC000765754124 656151053 /nfs/dbraw/zinc/15/10/53/656151053.db2.gz RLRMNQQSNOMXQL-UHFFFAOYSA-N -1 1 381.182 2.758 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCN1c1nccs1 ZINC000765769613 656151850 /nfs/dbraw/zinc/15/18/50/656151850.db2.gz MWQXYGQIKCPGEF-GFCCVEGCSA-N -1 1 382.283 2.896 20 10 GFCDMM COc1cc(C)ccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765926692 656154939 /nfs/dbraw/zinc/15/49/39/656154939.db2.gz PDUMJXAZZNDEOE-UHFFFAOYSA-N -1 1 393.237 2.727 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cccc2[nH]ccc21 ZINC000765926639 656154960 /nfs/dbraw/zinc/15/49/60/656154960.db2.gz OHLYOXQUMQTRIX-UHFFFAOYSA-N -1 1 388.221 2.891 20 10 GFCDMM O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766201910 656164831 /nfs/dbraw/zinc/16/48/31/656164831.db2.gz XIQIEMFJYLMTLT-UHFFFAOYSA-N -1 1 387.211 2.541 20 10 GFCDMM CC[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@H](C)S1(=O)=O ZINC000809725316 659937351 /nfs/dbraw/zinc/93/73/51/659937351.db2.gz OLQHKVQIHSKLNT-AAEUAGOBSA-N -1 1 376.316 2.861 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000816619873 660162831 /nfs/dbraw/zinc/16/28/31/660162831.db2.gz YWJZJVOTNAWWII-GFCCVEGCSA-N -1 1 376.316 2.720 20 10 GFCDMM CC(C)(CNC(=O)NCc1cccc(Br)c1[O-])C(=O)N1CCCC1 ZINC000858902126 662126911 /nfs/dbraw/zinc/12/69/11/662126911.db2.gz XWFRVDUNENFHFG-UHFFFAOYSA-N -1 1 398.301 2.603 20 10 GFCDMM CC(C)CN1C(=O)C(=CNc2ccc(Br)cc2)C(=O)[N-]C1=S ZINC000920976685 664535034 /nfs/dbraw/zinc/53/50/34/664535034.db2.gz PTPCDWLUCYDJGS-KPKJPENVSA-N -1 1 382.283 2.644 20 10 GFCDMM C[C@H](CC(=O)NCc1cccc(Br)c1[O-])NC(=O)C1CCCC1 ZINC000277593723 563215303 /nfs/dbraw/zinc/21/53/03/563215303.db2.gz SRGHOGKNEJXMCM-LLVKDONJSA-N -1 1 383.286 2.856 20 10 GFCDMM O=C(CCS(=O)(=O)C1CCCC1)NCc1cccc(Br)c1[O-] ZINC000277411166 655317920 /nfs/dbraw/zinc/31/79/20/655317920.db2.gz CEXNUJJRVDIPBD-UHFFFAOYSA-N -1 1 390.299 2.518 20 10 GFCDMM Cc1cc(C)nc(SCC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000277518958 655324264 /nfs/dbraw/zinc/32/42/64/655324264.db2.gz LOMOYFVBDPYBCS-UHFFFAOYSA-N -1 1 382.283 2.970 20 10 GFCDMM Cc1nc(C)c(CCC(=O)NCc2cccc(Br)c2[O-])c(=O)[nH]1 ZINC000277521133 655324493 /nfs/dbraw/zinc/32/44/93/655324493.db2.gz LUVFUTTZCUIBAL-UHFFFAOYSA-N -1 1 380.242 2.516 20 10 GFCDMM O=C(NCCc1ccc2c(c1)OCO2)NCc1cccc(Br)c1[O-] ZINC000764759738 656118859 /nfs/dbraw/zinc/11/88/59/656118859.db2.gz BTUSRSAXUKBGPV-UHFFFAOYSA-N -1 1 393.237 2.925 20 10 GFCDMM CO[C@H](CCNC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000764803598 656120313 /nfs/dbraw/zinc/12/03/13/656120313.db2.gz DBDIEHBYFOEAKD-SNVBAGLBSA-N -1 1 385.180 2.921 20 10 GFCDMM CN(C)C(=O)c1cc(NC(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000765294960 656139866 /nfs/dbraw/zinc/13/98/66/656139866.db2.gz QPWYVPXFKXKBBA-UHFFFAOYSA-N -1 1 393.241 2.573 20 10 GFCDMM O=C(CCNC(=O)NCc1cccc(Br)c1[O-])Nc1ccccc1 ZINC000765501509 656144235 /nfs/dbraw/zinc/14/42/35/656144235.db2.gz SVTCXRUTMSJAMI-UHFFFAOYSA-N -1 1 392.253 2.983 20 10 GFCDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])CC1(C)OCCO1 ZINC000765536824 656145098 /nfs/dbraw/zinc/14/50/98/656145098.db2.gz SRPIPRXXUAFUFC-NSHDSACASA-N -1 1 387.274 2.743 20 10 GFCDMM NC(=O)N[C@H](CC(=O)NCc1cccc(Br)c1[O-])c1cccs1 ZINC000765751659 656150824 /nfs/dbraw/zinc/15/08/24/656150824.db2.gz IWAWBHFQEWHRDV-LLVKDONJSA-N -1 1 398.282 2.632 20 10 GFCDMM O=C(C[C@@H]1C(=O)Nc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765754114 656151001 /nfs/dbraw/zinc/15/10/01/656151001.db2.gz RITZPISKOOVFEM-LBPRGKRZSA-N -1 1 375.222 2.897 20 10 GFCDMM O=C(C[C@H]1C(=O)Nc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765754112 656151098 /nfs/dbraw/zinc/15/10/98/656151098.db2.gz RITZPISKOOVFEM-GFCCVEGCSA-N -1 1 375.222 2.897 20 10 GFCDMM CN(C)c1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766201851 656164786 /nfs/dbraw/zinc/16/47/86/656164786.db2.gz VUSPSBIQMRNHCM-UHFFFAOYSA-N -1 1 385.283 2.699 20 10 GFCDMM O=S(=O)(CCOCC1CCCC1)NCc1cccc(Br)c1[O-] ZINC000841515117 661283135 /nfs/dbraw/zinc/28/31/35/661283135.db2.gz WKKFXDLOXPAAFR-UHFFFAOYSA-N -1 1 392.315 2.781 20 10 GFCDMM Cc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)ccc1O ZINC000780398797 657004008 /nfs/dbraw/zinc/00/40/08/657004008.db2.gz SJEBLUOWDCXYBO-UHFFFAOYSA-N -1 1 395.380 2.795 20 10 GFCDMM O=C(COC(=O)c1cc(Br)cnc1Cl)c1ccc([O-])c(O)c1 ZINC000783343651 657224397 /nfs/dbraw/zinc/22/43/97/657224397.db2.gz ILEWANQGRAYIFO-UHFFFAOYSA-N -1 1 386.585 2.948 20 10 GFCDMM C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794830309 658619437 /nfs/dbraw/zinc/61/94/37/658619437.db2.gz WKXBWHGFIBETOU-VFZGTOFNSA-N -1 1 394.225 2.940 20 10 GFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c(Br)c1 ZINC000797819734 659054278 /nfs/dbraw/zinc/05/42/78/659054278.db2.gz PXCKIHLQNOKDRL-UHFFFAOYSA-N -1 1 388.239 2.973 20 10 GFCDMM O=S(=O)(c1cccc(NCc2cccc(Cl)c2[O-])c1)N1CCOCC1 ZINC000809652202 659935473 /nfs/dbraw/zinc/93/54/73/659935473.db2.gz TVLZBVQKXKBBNO-UHFFFAOYSA-N -1 1 382.869 2.679 20 10 GFCDMM Cc1cn(CC(=O)NCc2cccc(Br)c2[O-])nc1C(F)(F)F ZINC000861332829 662240955 /nfs/dbraw/zinc/24/09/55/662240955.db2.gz XTQLLLNBMCLVHV-UHFFFAOYSA-N -1 1 392.175 2.995 20 10 GFCDMM C[C@@H](NCc1nn(C)cc1I)c1c([O-])cccc1F ZINC000886620293 663114842 /nfs/dbraw/zinc/11/48/42/663114842.db2.gz GRCLCZMJRZZKBH-MRVPVSSYSA-N -1 1 375.185 2.720 20 10 GFCDMM COc1cc(Cl)c(C)cc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920975916 664534986 /nfs/dbraw/zinc/53/49/86/664534986.db2.gz CNSQDQLVTWDCHX-YRNVUSSQSA-N -1 1 381.885 2.852 20 10 GFCDMM O=C(CCNC(=O)NCc1cccc(Br)c1[O-])NC1CCCCC1 ZINC000277598100 563216063 /nfs/dbraw/zinc/21/60/63/563216063.db2.gz VBIWAOCHFSPACQ-UHFFFAOYSA-N -1 1 398.301 2.793 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC1CCC2(CC1)OCCO2 ZINC000277791827 563226640 /nfs/dbraw/zinc/22/66/40/563226640.db2.gz SJVCYOLMTAYBRK-UHFFFAOYSA-N -1 1 385.258 2.640 20 10 GFCDMM CCOCCN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1CC ZINC000737177808 600214417 /nfs/dbraw/zinc/21/44/17/600214417.db2.gz SQIDBSLEKUQHAD-IQIBNGDESA-N -1 1 377.441 2.630 20 10 GFCDMM CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000834476046 660821813 /nfs/dbraw/zinc/82/18/13/660821813.db2.gz LSNXWIYTDOKMHE-INIZCTEOSA-N -1 1 394.265 2.989 20 10 GFCDMM CCN(C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1)S(C)(=O)=O ZINC000093320691 655018355 /nfs/dbraw/zinc/01/83/55/655018355.db2.gz XADIOGLJGDESDG-UHFFFAOYSA-N -1 1 381.325 2.945 20 10 GFCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1[O-] ZINC000750045810 655810772 /nfs/dbraw/zinc/81/07/72/655810772.db2.gz XRYJGXDUQFBWDY-CYBMUJFWSA-N -1 1 378.778 2.843 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1COc2ccccc2O1 ZINC000764757435 656118715 /nfs/dbraw/zinc/11/87/15/656118715.db2.gz LJGCBHRFRFYDOY-LBPRGKRZSA-N -1 1 393.237 2.794 20 10 GFCDMM O=C(NCc1ccc2c(c1)OCCO2)NCc1cccc(Br)c1[O-] ZINC000764759663 656118843 /nfs/dbraw/zinc/11/88/43/656118843.db2.gz ZMMUXMVTPDTBRT-UHFFFAOYSA-N -1 1 393.237 2.925 20 10 GFCDMM CC(=O)Nc1ccc(O)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765735907 656149635 /nfs/dbraw/zinc/14/96/35/656149635.db2.gz IXRYJBBLPMMIJC-UHFFFAOYSA-N -1 1 379.210 2.749 20 10 GFCDMM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765756951 656150969 /nfs/dbraw/zinc/15/09/69/656150969.db2.gz PCQWOIJCMXDDKJ-QFYYESIMSA-N -1 1 378.222 2.999 20 10 GFCDMM CN(C1CCCCC1)S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766198892 656164667 /nfs/dbraw/zinc/16/46/67/656164667.db2.gz AJSBSWYGLISZMT-UHFFFAOYSA-N -1 1 377.304 2.754 20 10 GFCDMM O=C(COC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC000784045081 657284953 /nfs/dbraw/zinc/28/49/53/657284953.db2.gz JEDYJGSYKBHZPN-UHFFFAOYSA-N -1 1 396.149 2.808 20 10 GFCDMM Cc1cc(Br)c([O-])c(CNCc2ncccc2S(C)(=O)=O)c1 ZINC000785570599 657375821 /nfs/dbraw/zinc/37/58/21/657375821.db2.gz BGZUBUVMPPKRBN-UHFFFAOYSA-N -1 1 385.283 2.551 20 10 GFCDMM Cn1c(=O)c2ccccc2cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000803213466 659558439 /nfs/dbraw/zinc/55/84/39/659558439.db2.gz FMIJKFXVNCIABL-UHFFFAOYSA-N -1 1 387.233 2.937 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@H](CS(C)(=O)=O)C2)c1 ZINC000816619874 660162847 /nfs/dbraw/zinc/16/28/47/660162847.db2.gz YWJZJVOTNAWWII-LBPRGKRZSA-N -1 1 376.316 2.720 20 10 GFCDMM COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cc(C)cc(Br)c1[O-] ZINC000862515924 662289475 /nfs/dbraw/zinc/28/94/75/662289475.db2.gz GBRXTBMXLLJWSN-WFASDCNBSA-N -1 1 386.286 2.911 20 10 GFCDMM O=S(=O)(CC[C@H]1CCCCO1)NCc1cccc(Br)c1[O-] ZINC000882131147 663017754 /nfs/dbraw/zinc/01/77/54/663017754.db2.gz CXEBBLJRUCYPJB-GFCCVEGCSA-N -1 1 378.288 2.533 20 10 GFCDMM Cn1ccnc1[C@@H](O)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894029691 663438521 /nfs/dbraw/zinc/43/85/21/663438521.db2.gz BTHFBNUFANBVHF-INIZCTEOSA-N -1 1 398.276 2.973 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(O[C@H]2CCOC2)c1 ZINC000277558567 563213393 /nfs/dbraw/zinc/21/33/93/563213393.db2.gz PCKVITDRSQMLEY-ZDUSSCGKSA-N -1 1 393.237 2.647 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CSCCS1 ZINC000277813256 563227225 /nfs/dbraw/zinc/22/72/25/563227225.db2.gz VSADMJMQWVTVDF-JTQLQIEISA-N -1 1 377.329 2.803 20 10 GFCDMM O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ncncc1Cl ZINC000363725285 563731700 /nfs/dbraw/zinc/73/17/00/563731700.db2.gz NFRDGMUURRGQSZ-ZDUSSCGKSA-N -1 1 381.263 2.883 20 10 GFCDMM COc1ccc(N2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)cc1 ZINC000737098894 599254980 /nfs/dbraw/zinc/25/49/80/599254980.db2.gz HLQVVVLLXJCJFR-UHFFFAOYSA-N -1 1 387.447 2.750 20 10 GFCDMM COc1ccc(N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)cc1 ZINC000737098894 599254983 /nfs/dbraw/zinc/25/49/83/599254983.db2.gz HLQVVVLLXJCJFR-UHFFFAOYSA-N -1 1 387.447 2.750 20 10 GFCDMM CN(C)C(=O)c1cccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000737355953 600142736 /nfs/dbraw/zinc/14/27/36/600142736.db2.gz GUSJBKMDXPBZEQ-UHFFFAOYSA-N -1 1 376.840 2.834 20 10 GFCDMM CN(C)C(=O)c1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000737355953 600142738 /nfs/dbraw/zinc/14/27/38/600142738.db2.gz GUSJBKMDXPBZEQ-UHFFFAOYSA-N -1 1 376.840 2.834 20 10 GFCDMM O=c1cnc2cc(S(=O)(=O)Nc3cc(Cl)c([O-])c(Cl)c3)ccc2[nH]1 ZINC000821190895 660318419 /nfs/dbraw/zinc/31/84/19/660318419.db2.gz HNHFQZORPPOXKZ-UHFFFAOYSA-N -1 1 386.216 2.736 20 10 GFCDMM CCC[C@@H](C)C(=O)NCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000292837548 655355019 /nfs/dbraw/zinc/35/50/19/655355019.db2.gz QDOZPWSEKBNTQA-LLVKDONJSA-N -1 1 386.290 2.506 20 10 GFCDMM C[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Br)c(F)cc1[O-] ZINC000757636050 655914048 /nfs/dbraw/zinc/91/40/48/655914048.db2.gz FDAJUWQRYKZWQW-SECBINFHSA-N -1 1 397.248 2.942 20 10 GFCDMM CS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000758164509 655924792 /nfs/dbraw/zinc/92/47/92/655924792.db2.gz YQBALICZEHEAPV-UHFFFAOYSA-N -1 1 396.273 2.903 20 10 GFCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1nnc2ccccn21 ZINC000764761425 656118868 /nfs/dbraw/zinc/11/88/68/656118868.db2.gz MYPMOHRACMODPE-SNVBAGLBSA-N -1 1 390.241 2.758 20 10 GFCDMM Cc1cc(-n2cncn2)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765747937 656150484 /nfs/dbraw/zinc/15/04/84/656150484.db2.gz RIUXLVZICSIFNU-UHFFFAOYSA-N -1 1 387.237 2.974 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(Cn2cncn2)cc1 ZINC000765754790 656151060 /nfs/dbraw/zinc/15/10/60/656151060.db2.gz WPRHGMQKMFSLRV-UHFFFAOYSA-N -1 1 387.237 2.725 20 10 GFCDMM NC(=O)N[C@H](CC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765770903 656151908 /nfs/dbraw/zinc/15/19/08/656151908.db2.gz SDBYRNPCAOGXPG-CQSZACIVSA-N -1 1 392.253 2.571 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1c(F)cccc1F ZINC000765904286 656154344 /nfs/dbraw/zinc/15/43/44/656154344.db2.gz QEBXIRHUGGVTBM-UHFFFAOYSA-N -1 1 385.164 2.688 20 10 GFCDMM COc1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])ccc1F ZINC000766200575 656164582 /nfs/dbraw/zinc/16/45/82/656164582.db2.gz MKJUVXVEPPKBHL-UHFFFAOYSA-N -1 1 390.230 2.781 20 10 GFCDMM Cc1cc([N-]S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)ccc1O ZINC000776748396 656791763 /nfs/dbraw/zinc/79/17/63/656791763.db2.gz FTKABKODIPRPJZ-UHFFFAOYSA-N -1 1 398.238 2.846 20 10 GFCDMM Cc1nsc(N2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)n1 ZINC000781913387 657088946 /nfs/dbraw/zinc/08/89/46/657088946.db2.gz SZKPMSRHLYERTN-UHFFFAOYSA-N -1 1 383.315 2.945 20 10 GFCDMM Cc1nn2cc(S(=O)(=O)Nc3cc(Cl)c([O-])cc3F)cnc2c1Cl ZINC000808115470 659878100 /nfs/dbraw/zinc/87/81/00/659878100.db2.gz FUXCKMKADQWZFA-UHFFFAOYSA-N -1 1 391.211 2.990 20 10 GFCDMM O=C1N[C@@H](c2cc(O)cc(Br)c2[O-])N2CCc3ccccc3[C@H]12 ZINC000877856256 662885162 /nfs/dbraw/zinc/88/51/62/662885162.db2.gz QFLIGXXKRCOLQT-GDBMZVCRSA-N -1 1 375.222 2.588 20 10 GFCDMM CCCCS(=O)(=O)N1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890757477 663311810 /nfs/dbraw/zinc/31/18/10/663311810.db2.gz FDNOVXUDEDMHHV-UHFFFAOYSA-N -1 1 388.917 2.504 20 10 GFCDMM Cc1cccc(CS(=O)(=O)CCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890761783 663312031 /nfs/dbraw/zinc/31/20/31/663312031.db2.gz XPXCBAUEHUPZGC-UHFFFAOYSA-N -1 1 381.881 2.975 20 10 GFCDMM Cn1ccnc1[C@@H](NCc1cc(Br)cc(F)c1[O-])C(C)(C)CO ZINC000894883155 663486337 /nfs/dbraw/zinc/48/63/37/663486337.db2.gz RISUCWLXHSKQPW-CQSZACIVSA-N -1 1 386.265 2.877 20 10 GFCDMM CN(C)Cc1ccsc1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000828046628 603541502 /nfs/dbraw/zinc/54/15/02/603541502.db2.gz PJHOCOTVHYSVFK-INIZCTEOSA-N -1 1 390.509 2.614 20 10 GFCDMM COc1ccc(N(C)CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1Cl ZINC000826208895 607640806 /nfs/dbraw/zinc/64/08/06/607640806.db2.gz FGCXBYUZOWBJTK-UHFFFAOYSA-N -1 1 390.831 2.813 20 10 GFCDMM CC(C)c1ncsc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000835303410 660850186 /nfs/dbraw/zinc/85/01/86/660850186.db2.gz KMFVBDZFXVORJJ-UHFFFAOYSA-N -1 1 398.282 2.990 20 10 GFCDMM Cc1nc(CC(C)C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000268461826 654972981 /nfs/dbraw/zinc/97/29/81/654972981.db2.gz AAFFVYOSNCCHKM-UHFFFAOYSA-N -1 1 383.495 2.979 20 10 GFCDMM Cc1nsc(N2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000093716793 655020649 /nfs/dbraw/zinc/02/06/49/655020649.db2.gz GLLWPJNYVDJNLK-UHFFFAOYSA-N -1 1 383.861 2.826 20 10 GFCDMM CN(Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCN(C)C1=O ZINC000271785536 655094685 /nfs/dbraw/zinc/09/46/85/655094685.db2.gz IGCSFEMELAJQHB-NSHDSACASA-N -1 1 392.091 2.580 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC1CCN(CC(F)F)CC1 ZINC000764782082 656119513 /nfs/dbraw/zinc/11/95/13/656119513.db2.gz ZJLXDYWGDHLPAR-UHFFFAOYSA-N -1 1 392.244 2.683 20 10 GFCDMM CS(=O)(=O)c1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765235094 656138231 /nfs/dbraw/zinc/13/82/31/656138231.db2.gz NZGIKRDGCWSJOQ-UHFFFAOYSA-N -1 1 399.266 2.880 20 10 GFCDMM CNC(=O)c1cccc(CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765444522 656143260 /nfs/dbraw/zinc/14/32/60/656143260.db2.gz PGBJNBMEXHVUFQ-UHFFFAOYSA-N -1 1 392.253 2.514 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000765726492 656149007 /nfs/dbraw/zinc/14/90/07/656149007.db2.gz HEGOQPWNJWLMCR-ZDUSSCGKSA-N -1 1 389.249 2.824 20 10 GFCDMM C[C@@H]1Oc2c(cccc2C(=O)NCc2cccc(Br)c2[O-])NC1=O ZINC000765746450 656150263 /nfs/dbraw/zinc/15/02/63/656150263.db2.gz GTHSDSFHEUPPMX-VIFPVBQESA-N -1 1 391.221 2.804 20 10 GFCDMM COC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000765755108 656151029 /nfs/dbraw/zinc/15/10/29/656151029.db2.gz ZUYRGCLGFPVEKO-UHFFFAOYSA-N -1 1 381.226 2.816 20 10 GFCDMM CN(C)C(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765769180 656151961 /nfs/dbraw/zinc/15/19/61/656151961.db2.gz JKZWSZKUPKLDMX-UHFFFAOYSA-N -1 1 377.238 2.787 20 10 GFCDMM COc1ccc(C)cc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765903849 656154305 /nfs/dbraw/zinc/15/43/05/656154305.db2.gz NZPVUYOPAXCUMJ-UHFFFAOYSA-N -1 1 393.237 2.727 20 10 GFCDMM COc1cc(C=C2SC(=S)[N-]C2=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000778518449 656883441 /nfs/dbraw/zinc/88/34/41/656883441.db2.gz PQHZHUAFIXTWBM-XCVCLJGOSA-N -1 1 376.362 2.736 20 10 GFCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O ZINC000785398157 657360183 /nfs/dbraw/zinc/36/01/83/657360183.db2.gz QIZKJSRSSFNWIU-UHFFFAOYSA-N -1 1 386.769 2.541 20 10 GFCDMM CC(=O)Nc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000789293458 657836156 /nfs/dbraw/zinc/83/61/56/657836156.db2.gz BDECLIFWWWWOLX-UHFFFAOYSA-N -1 1 393.241 2.508 20 10 GFCDMM CSc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000792701824 658312791 /nfs/dbraw/zinc/31/27/91/658312791.db2.gz CBIGPKUYYDICJW-UHFFFAOYSA-N -1 1 384.391 2.521 20 10 GFCDMM O=C(COC(=O)c1cn2c(Br)cnc2s1)c1ccc([O-])c(O)c1 ZINC000815369755 660121369 /nfs/dbraw/zinc/12/13/69/660121369.db2.gz JNOBWJIIEZNUBK-UHFFFAOYSA-N -1 1 397.206 2.609 20 10 GFCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000857507720 662081424 /nfs/dbraw/zinc/08/14/24/662081424.db2.gz ISEGFEZTRDBKAR-UHFFFAOYSA-N -1 1 380.187 2.972 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)c1 ZINC000895376874 663510752 /nfs/dbraw/zinc/51/07/52/663510752.db2.gz CSAPWAOVJMHGOQ-IQMFZBJNSA-N -1 1 398.326 2.502 20 10 GFCDMM Cc1sc(NC=C2C(=O)[N-]C(=S)NC2=O)nc1-c1cccc(Cl)c1 ZINC000920979995 664535042 /nfs/dbraw/zinc/53/50/42/664535042.db2.gz PXFGRIDNMVPSHH-UHFFFAOYSA-N -1 1 378.866 2.599 20 10 GFCDMM CC(C)CN1C(=O)C(=CNCCCSc2ccccc2)C(=O)[N-]C1=S ZINC000920979962 664535063 /nfs/dbraw/zinc/53/50/63/664535063.db2.gz NWUJZTGPDVFBNU-PTNGSMBKSA-N -1 1 377.535 2.542 20 10 GFCDMM O=C([O-])C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)ccc1[O-] ZINC000739794397 600145465 /nfs/dbraw/zinc/14/54/65/600145465.db2.gz XQRRIWPXJUANFU-UHFFFAOYSA-N -1 1 380.784 2.919 20 10 GFCDMM O=C([O-])C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)ccc1[O-] ZINC000739794397 600145467 /nfs/dbraw/zinc/14/54/67/600145467.db2.gz XQRRIWPXJUANFU-UHFFFAOYSA-N -1 1 380.784 2.919 20 10 GFCDMM COc1cccc(CN2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)c1O ZINC000833735802 604576922 /nfs/dbraw/zinc/57/69/22/604576922.db2.gz WWBZWVVVCNXCST-GOSISDBHSA-N -1 1 390.867 2.998 20 10 GFCDMM C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000833829952 605956731 /nfs/dbraw/zinc/95/67/31/605956731.db2.gz HZPNMHBCZKFTFL-KGLIPLIRSA-N -1 1 384.432 2.807 20 10 GFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1C ZINC000055668557 654780068 /nfs/dbraw/zinc/78/00/68/654780068.db2.gz UPZLWEPWHUTMQS-UHFFFAOYSA-N -1 1 390.433 2.836 20 10 GFCDMM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1c(F)cccc1Cl ZINC000131317365 654901535 /nfs/dbraw/zinc/90/15/35/654901535.db2.gz UDBTWXVWJBKLPY-UHFFFAOYSA-N -1 1 384.860 2.794 20 10 GFCDMM O=C(NCCCN1CCCCCC1=O)NCc1cccc(Br)c1[O-] ZINC000764756472 656118711 /nfs/dbraw/zinc/11/87/11/656118711.db2.gz FIFHRKOOPZGWLY-UHFFFAOYSA-N -1 1 398.301 2.747 20 10 GFCDMM O=C(CNc1ccccc1[N+](=O)[O-])NCc1cccc(Br)c1[O-] ZINC000765727725 656148909 /nfs/dbraw/zinc/14/89/09/656148909.db2.gz OGSAERGFPSMZEI-UHFFFAOYSA-N -1 1 380.198 2.791 20 10 GFCDMM O=C(CCC1CCCC1)NCC(=O)NCc1cccc(Br)c1[O-] ZINC000765747002 656150298 /nfs/dbraw/zinc/15/02/98/656150298.db2.gz JMLGIUROMMBFNZ-UHFFFAOYSA-N -1 1 383.286 2.858 20 10 GFCDMM COc1ccc(C=O)c(OCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765750242 656150539 /nfs/dbraw/zinc/15/05/39/656150539.db2.gz CUOGNMFKEQVFPJ-UHFFFAOYSA-N -1 1 394.221 2.671 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc2c(c1)NC(=O)CS2 ZINC000765766855 656151617 /nfs/dbraw/zinc/15/16/17/656151617.db2.gz CWJHBOSFRVVWSZ-UHFFFAOYSA-N -1 1 394.250 2.524 20 10 GFCDMM NC(=O)N[C@@H](CC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765770902 656151949 /nfs/dbraw/zinc/15/19/49/656151949.db2.gz SDBYRNPCAOGXPG-AWEZNQCLSA-N -1 1 392.253 2.571 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000781895596 657087150 /nfs/dbraw/zinc/08/71/50/657087150.db2.gz CMGLCOKZWHKXNJ-UHFFFAOYSA-N -1 1 390.281 2.816 20 10 GFCDMM CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC000792176726 658246193 /nfs/dbraw/zinc/24/61/93/658246193.db2.gz JLFYWYDOWREUMJ-UHFFFAOYSA-N -1 1 384.860 2.998 20 10 GFCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000794873409 658630019 /nfs/dbraw/zinc/63/00/19/658630019.db2.gz RRBBXPJAJTVNQX-UHFFFAOYSA-N -1 1 399.343 2.626 20 10 GFCDMM C[C@@H](NCc1cnn(C)n1)c1cc(Br)cc(Br)c1[O-] ZINC000806168553 659826813 /nfs/dbraw/zinc/82/68/13/659826813.db2.gz RCOOUQKLIMDMMG-SSDOTTSWSA-N -1 1 390.079 2.897 20 10 GFCDMM Cc1c(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cnn1-c1ccccn1 ZINC000808113723 659877742 /nfs/dbraw/zinc/87/77/42/659877742.db2.gz HPJRMHIGTJKFDX-UHFFFAOYSA-N -1 1 382.804 2.875 20 10 GFCDMM CCOC(=O)C1=CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000858787618 662123354 /nfs/dbraw/zinc/12/33/54/662123354.db2.gz ILCXXMZAVVISAY-GFCCVEGCSA-N -1 1 383.242 2.606 20 10 GFCDMM CNC(=O)NC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000895001876 663494177 /nfs/dbraw/zinc/49/41/77/663494177.db2.gz XKEULSLQXICIPX-UHFFFAOYSA-N -1 1 376.682 2.702 20 10 GFCDMM COc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1 ZINC000738069907 600055093 /nfs/dbraw/zinc/05/50/93/600055093.db2.gz OUGMEAOMZBXJPA-UHFFFAOYSA-N -1 1 379.419 2.646 20 10 GFCDMM O=C([O-])C[N@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1cc(Cl)ccc1[O-] ZINC000739794406 600315321 /nfs/dbraw/zinc/31/53/21/600315321.db2.gz YEFQVPGLTFPQCE-UHFFFAOYSA-N -1 1 387.823 2.824 20 10 GFCDMM O=C([O-])C[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1cc(Cl)ccc1[O-] ZINC000739794406 600315325 /nfs/dbraw/zinc/31/53/25/600315325.db2.gz YEFQVPGLTFPQCE-UHFFFAOYSA-N -1 1 387.823 2.824 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCN(c2ccccn2)C1 ZINC000277356606 655314428 /nfs/dbraw/zinc/31/44/28/655314428.db2.gz GPKBYDIUGALOKC-CYBMUJFWSA-N -1 1 391.269 2.628 20 10 GFCDMM COC(=O)c1[nH]c(C)c(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000277408557 655317689 /nfs/dbraw/zinc/31/76/89/655317689.db2.gz BWNCQSKRTMCGGU-UHFFFAOYSA-N -1 1 381.226 2.816 20 10 GFCDMM Cc1nn(CCC(=O)NCc2cccc(Br)c2[O-])c(C)c1[N+](=O)[O-] ZINC000277497243 655323090 /nfs/dbraw/zinc/32/30/90/655323090.db2.gz JWNMHPQWYCDAAT-UHFFFAOYSA-N -1 1 397.229 2.583 20 10 GFCDMM COc1cc(F)c(S(=O)(=O)[N-]CCCSc2nccs2)c(F)c1 ZINC000735315132 655644660 /nfs/dbraw/zinc/64/46/60/655644660.db2.gz CIBCVZXVDATHFA-UHFFFAOYSA-N -1 1 380.463 2.891 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)C[C@@H]2C2CCC2)c1 ZINC000840956474 661219667 /nfs/dbraw/zinc/21/96/67/661219667.db2.gz SKEFYOKUMHJTSR-OAHLLOKOSA-N -1 1 388.327 2.862 20 10 GFCDMM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764784136 656119530 /nfs/dbraw/zinc/11/95/30/656119530.db2.gz OPMHXXDWJQJKJC-SNVBAGLBSA-N -1 1 395.301 2.935 20 10 GFCDMM COc1cc(CNC(=O)NCc2cccc(Br)c2[O-])ccc1O ZINC000765451934 656143165 /nfs/dbraw/zinc/14/31/65/656143165.db2.gz WRFHQKYNWOFHMI-UHFFFAOYSA-N -1 1 381.226 2.868 20 10 GFCDMM CCCC[C@@H](NC(=O)NCC)C(=O)NCc1cccc(Br)c1[O-] ZINC000765746496 656150287 /nfs/dbraw/zinc/15/02/87/656150287.db2.gz GZGNHNWAQILFSO-CYBMUJFWSA-N -1 1 386.290 2.649 20 10 GFCDMM C[C@H]1Cc2cc(S(=O)(=O)NCc3cccc(Br)c3[O-])ccc2O1 ZINC000766199599 656164669 /nfs/dbraw/zinc/16/46/69/656164669.db2.gz GHEWLCHVSYAFRB-JTQLQIEISA-N -1 1 398.278 2.957 20 10 GFCDMM CC(=O)c1cccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766200827 656164866 /nfs/dbraw/zinc/16/48/66/656164866.db2.gz OMEAEMWBQFEUBG-UHFFFAOYSA-N -1 1 384.251 2.836 20 10 GFCDMM CS(=O)(=O)c1ccc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000786826579 657469714 /nfs/dbraw/zinc/46/97/14/657469714.db2.gz HUBKUTJSTVMSTK-UHFFFAOYSA-N -1 1 376.843 2.709 20 10 GFCDMM CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000792177518 658245649 /nfs/dbraw/zinc/24/56/49/658245649.db2.gz UZDWPCRBPOWOBR-UHFFFAOYSA-N -1 1 384.860 2.998 20 10 GFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000792702908 658313756 /nfs/dbraw/zinc/31/37/56/658313756.db2.gz IHXCOJNJESUAML-UHFFFAOYSA-N -1 1 380.447 2.872 20 10 GFCDMM O=S(=O)(c1ccnc(NCc2c([O-])ccc(Cl)c2F)c1)N1CCCC1 ZINC000794969874 658642204 /nfs/dbraw/zinc/64/22/04/658642204.db2.gz VJDLMFJMQOQFBB-UHFFFAOYSA-N -1 1 385.848 2.976 20 10 GFCDMM O=C(NCc1cnn2ccccc12)NCc1cccc(Br)c1[O-] ZINC000805780898 659807481 /nfs/dbraw/zinc/80/74/81/659807481.db2.gz QUXSCOIRFXWGFR-UHFFFAOYSA-N -1 1 375.226 2.802 20 10 GFCDMM COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c(F)c1 ZINC000808113729 659877735 /nfs/dbraw/zinc/87/77/35/659877735.db2.gz HTJUGYNXACQTEY-UHFFFAOYSA-N -1 1 377.752 2.911 20 10 GFCDMM CC(C)(C)n1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1Br ZINC000849977779 661759014 /nfs/dbraw/zinc/75/90/14/661759014.db2.gz RFDZVWOWMYCUIN-UHFFFAOYSA-N -1 1 397.225 2.852 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)c1 ZINC000895376876 663510848 /nfs/dbraw/zinc/51/08/48/663510848.db2.gz CSAPWAOVJMHGOQ-NPMXOYFQSA-N -1 1 398.326 2.502 20 10 GFCDMM CONC(=O)C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000895470313 663516155 /nfs/dbraw/zinc/51/61/55/663516155.db2.gz JMNVMVQKFWXKIX-UHFFFAOYSA-N -1 1 377.666 2.698 20 10 GFCDMM COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)NCc3cccc(Br)c3[O-])[C@@H]2C1 ZINC000897728742 663617575 /nfs/dbraw/zinc/61/75/75/663617575.db2.gz MCRUDLWMNZJNPX-CZXHOFHRSA-N -1 1 397.269 2.542 20 10 GFCDMM CN(Cc1ccccc1O)C(=O)c1ccc(I)c([O-])c1 ZINC000383631333 677406748 /nfs/dbraw/zinc/40/67/48/677406748.db2.gz KKGSXCCRURYREP-UHFFFAOYSA-N -1 1 383.185 2.975 20 10 GFCDMM Cc1cc(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c(C)n1-c1cccc(C)c1 ZINC000737379173 598675964 /nfs/dbraw/zinc/67/59/64/598675964.db2.gz DKGQSLLINGKSLC-UHFFFAOYSA-N -1 1 388.431 2.627 20 10 GFCDMM O=C([O-])C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)ccc1[O-] ZINC000739794122 600143404 /nfs/dbraw/zinc/14/34/04/600143404.db2.gz SUOMWLGCHSBVNO-UHFFFAOYSA-N -1 1 380.784 2.919 20 10 GFCDMM O=C([O-])C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)ccc1[O-] ZINC000739794122 600143407 /nfs/dbraw/zinc/14/34/07/600143407.db2.gz SUOMWLGCHSBVNO-UHFFFAOYSA-N -1 1 380.784 2.919 20 10 GFCDMM CCOCCN1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1CC ZINC000737177809 600214178 /nfs/dbraw/zinc/21/41/78/600214178.db2.gz SQIDBSLEKUQHAD-QKIRZYONSA-N -1 1 377.441 2.630 20 10 GFCDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc3nsnc32)c(F)cc1F ZINC000066306599 654900556 /nfs/dbraw/zinc/90/05/56/654900556.db2.gz PYDHIHQTPJBXQS-UHFFFAOYSA-N -1 1 384.389 2.729 20 10 GFCDMM C[C@@H](COCC(F)(F)F)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277334590 655313548 /nfs/dbraw/zinc/31/35/48/655313548.db2.gz FIZZVQYNTQJKGB-QMMMGPOBSA-N -1 1 385.180 2.921 20 10 GFCDMM CN(C)C(=O)C1(CNC(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000277381225 655316020 /nfs/dbraw/zinc/31/60/20/655316020.db2.gz IEZIMIZCCHJUBD-UHFFFAOYSA-N -1 1 398.301 2.603 20 10 GFCDMM COC(=O)C1(CNC(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000764788638 656119847 /nfs/dbraw/zinc/11/98/47/656119847.db2.gz BCUBUCFEGYYFQS-UHFFFAOYSA-N -1 1 385.258 2.687 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCOC2(CCOCC2)C1 ZINC000765537427 656144965 /nfs/dbraw/zinc/14/49/65/656144965.db2.gz USDQOJPWAQZDCH-CYBMUJFWSA-N -1 1 399.285 2.682 20 10 GFCDMM Cc1oc(-c2cnn(C)c2)nc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765728570 656149300 /nfs/dbraw/zinc/14/93/00/656149300.db2.gz VZZUTQWYWYUMTB-UHFFFAOYSA-N -1 1 391.225 2.782 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1csc(-c2cnccn2)n1 ZINC000765736546 656149511 /nfs/dbraw/zinc/14/95/11/656149511.db2.gz NXIHBTMVPAPPQV-UHFFFAOYSA-N -1 1 391.250 2.998 20 10 GFCDMM CCCC[C@H](NC(=O)NCC)C(=O)NCc1cccc(Br)c1[O-] ZINC000765746498 656150219 /nfs/dbraw/zinc/15/02/19/656150219.db2.gz GZGNHNWAQILFSO-ZDUSSCGKSA-N -1 1 386.290 2.649 20 10 GFCDMM COc1cc2c(cc1C(=O)NCc1cccc(Br)c1[O-])OCO2 ZINC000765750420 656150530 /nfs/dbraw/zinc/15/05/30/656150530.db2.gz GKTUIXKSCBPMPP-UHFFFAOYSA-N -1 1 380.194 2.822 20 10 GFCDMM COc1cc(C(=O)NCc2cccc(Br)c2[O-])cc2c1OCCO2 ZINC000765750236 656150555 /nfs/dbraw/zinc/15/05/55/656150555.db2.gz COEQFCKOAKVUSV-UHFFFAOYSA-N -1 1 394.221 2.865 20 10 GFCDMM O=C(Cn1ccc(=O)c2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765753023 656150741 /nfs/dbraw/zinc/15/07/41/656150741.db2.gz MCPRZJYPNPTOEG-UHFFFAOYSA-N -1 1 387.233 2.786 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(C(=O)NC2CC2)cc1 ZINC000765756933 656151034 /nfs/dbraw/zinc/15/10/34/656151034.db2.gz OXHIALVIWOFTDP-UHFFFAOYSA-N -1 1 389.249 2.977 20 10 GFCDMM CN(C)C(=O)c1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765758568 656151275 /nfs/dbraw/zinc/15/12/75/656151275.db2.gz ZEPRWMXLZGDPEA-UHFFFAOYSA-N -1 1 377.238 2.787 20 10 GFCDMM Cc1cc(F)cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765904784 656154651 /nfs/dbraw/zinc/15/46/51/656154651.db2.gz VYMCVXZJQPKJFU-UHFFFAOYSA-N -1 1 381.201 2.857 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC000775194650 656612968 /nfs/dbraw/zinc/61/29/68/656612968.db2.gz VAAMJSNCHYOKQD-ZDUSSCGKSA-N -1 1 376.316 2.862 20 10 GFCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000776434198 656739833 /nfs/dbraw/zinc/73/98/33/656739833.db2.gz ADWONDXSPIAMOM-UHFFFAOYSA-N -1 1 390.186 2.793 20 10 GFCDMM COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1Br ZINC000782522424 657154889 /nfs/dbraw/zinc/15/48/89/657154889.db2.gz ZCPTWUIAESTVTM-UHFFFAOYSA-N -1 1 381.178 2.909 20 10 GFCDMM CN(C/C=C\C(=O)NCc1cccc(Br)c1[O-])CC(F)(F)F ZINC000816496507 660158855 /nfs/dbraw/zinc/15/88/55/660158855.db2.gz MLSGCRYUSOKAIH-UTCJRWHESA-N -1 1 381.192 2.821 20 10 GFCDMM Cn1cc(Br)c(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000816496817 660158887 /nfs/dbraw/zinc/15/88/87/660158887.db2.gz YONCOSUBHVPHQK-UHFFFAOYSA-N -1 1 389.047 2.581 20 10 GFCDMM CCOC(=O)C1=CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000858787619 662123475 /nfs/dbraw/zinc/12/34/75/662123475.db2.gz ILCXXMZAVVISAY-LBPRGKRZSA-N -1 1 383.242 2.606 20 10 GFCDMM O=S(=O)(CC[C@@H]1CCCCO1)NCc1cccc(Br)c1[O-] ZINC000882131148 663017698 /nfs/dbraw/zinc/01/76/98/663017698.db2.gz CXEBBLJRUCYPJB-LBPRGKRZSA-N -1 1 378.288 2.533 20 10 GFCDMM O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757531 663311790 /nfs/dbraw/zinc/31/17/90/663311790.db2.gz GXINVHACCAJCDV-OAHLLOKOSA-N -1 1 378.881 2.957 20 10 GFCDMM CCS(=O)(=O)c1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])s1 ZINC000894515790 663466322 /nfs/dbraw/zinc/46/63/22/663466322.db2.gz UICGKVMADCEEJV-UHFFFAOYSA-N -1 1 388.898 2.900 20 10 GFCDMM COc1cc(OC)c(S(=O)(=O)NCc2cccc(Cl)c2[O-])c(OC)c1 ZINC000908327315 664099421 /nfs/dbraw/zinc/09/94/21/664099421.db2.gz HGHOKBQLUSSTEM-UHFFFAOYSA-N -1 1 387.841 2.550 20 10 GFCDMM O=C(COc1cccc(Br)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916589928 664465521 /nfs/dbraw/zinc/46/55/21/664465521.db2.gz JLLTXFSQYUBNMQ-UHFFFAOYSA-N -1 1 381.178 2.665 20 10 GFCDMM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646722 551195324 /nfs/dbraw/zinc/19/53/24/551195324.db2.gz YNRRKTKBDPNPGO-OCCSQVGLSA-N -1 1 376.862 2.741 20 10 GFCDMM COc1cc(Br)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000365557190 563786595 /nfs/dbraw/zinc/78/65/95/563786595.db2.gz QXEGJDPSOPXXIT-PRXAMGSTSA-N -1 1 386.286 2.932 20 10 GFCDMM CCOc1ccc(N(CC)CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000825638092 607644479 /nfs/dbraw/zinc/64/44/79/607644479.db2.gz FIBSBQZFJSWNJA-UHFFFAOYSA-N -1 1 384.440 2.940 20 10 GFCDMM C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000833829957 605956806 /nfs/dbraw/zinc/95/68/06/605956806.db2.gz HZPNMHBCZKFTFL-ZIAGYGMSSA-N -1 1 384.432 2.807 20 10 GFCDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826497179 608296332 /nfs/dbraw/zinc/29/63/32/608296332.db2.gz XACWIYDTVSJUDJ-UHFFFAOYSA-N -1 1 384.787 2.512 20 10 GFCDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000826497179 608296334 /nfs/dbraw/zinc/29/63/34/608296334.db2.gz XACWIYDTVSJUDJ-UHFFFAOYSA-N -1 1 384.787 2.512 20 10 GFCDMM O=S(=O)(Nc1cccc(Cl)c1-n1cncn1)c1cc(F)cc(F)c1[O-] ZINC000821144261 660317137 /nfs/dbraw/zinc/31/71/37/660317137.db2.gz BHNSNOYABXODAH-UHFFFAOYSA-N -1 1 386.767 2.705 20 10 GFCDMM CCCCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000160765300 655124108 /nfs/dbraw/zinc/12/41/08/655124108.db2.gz RNJBHQGUWJWFTP-CYBMUJFWSA-N -1 1 376.862 2.743 20 10 GFCDMM CN(C)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000120017274 655324880 /nfs/dbraw/zinc/32/48/80/655324880.db2.gz YVGMQMGFROGOQS-UHFFFAOYSA-N -1 1 387.820 2.932 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1COc2ccccc2O1 ZINC000764757432 656118726 /nfs/dbraw/zinc/11/87/26/656118726.db2.gz LJGCBHRFRFYDOY-GFCCVEGCSA-N -1 1 393.237 2.794 20 10 GFCDMM CCS(=O)(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765735081 656149498 /nfs/dbraw/zinc/14/94/98/656149498.db2.gz DPYIRAJIWQFIJH-UHFFFAOYSA-N -1 1 398.278 2.878 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(N2CCNC2=O)cc1 ZINC000765754241 656150991 /nfs/dbraw/zinc/15/09/91/656150991.db2.gz TVQKUVXSELWTMY-UHFFFAOYSA-N -1 1 390.237 2.614 20 10 GFCDMM NC(=O)c1ccc(NC(=S)NCc2cccc(Br)c2[O-])cc1 ZINC000765992359 656157432 /nfs/dbraw/zinc/15/74/32/656157432.db2.gz JZFDVHQGGAOTDX-UHFFFAOYSA-N -1 1 380.267 2.740 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000775194648 656613181 /nfs/dbraw/zinc/61/31/81/656613181.db2.gz VAAMJSNCHYOKQD-CYBMUJFWSA-N -1 1 376.316 2.862 20 10 GFCDMM O=c1[nH]c2cc(Br)c(S(=O)(=O)[N-]c3ccc(O)cc3)cc2[nH]1 ZINC000776745965 656791286 /nfs/dbraw/zinc/79/12/86/656791286.db2.gz RWRITDJCBRKXLE-UHFFFAOYSA-N -1 1 384.211 2.537 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCN(Cc3nccn3C)CC2)c1 ZINC000781906707 657088143 /nfs/dbraw/zinc/08/81/43/657088143.db2.gz FNJKPUWWPICEKP-UHFFFAOYSA-N -1 1 379.302 2.514 20 10 GFCDMM O=C(COC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccc([O-])c(O)c1 ZINC000784632952 657320295 /nfs/dbraw/zinc/32/02/95/657320295.db2.gz SIRQCACYFZAFLS-UHFFFAOYSA-N -1 1 396.149 2.808 20 10 GFCDMM Cc1cc(NC(=O)CNC(=O)c2c([O-])c(O)ccc2F)ccc1Br ZINC000789965701 657903431 /nfs/dbraw/zinc/90/34/31/657903431.db2.gz IPMMBHLOCTZUAJ-UHFFFAOYSA-N -1 1 397.200 2.676 20 10 GFCDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c1OC ZINC000790067264 657923075 /nfs/dbraw/zinc/92/30/75/657923075.db2.gz BWHRFAUBUBZIRM-UHFFFAOYSA-N -1 1 389.788 2.781 20 10 GFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(F)cc1Cl ZINC000795349011 658809206 /nfs/dbraw/zinc/80/92/06/658809206.db2.gz RSDBJOGBMFFLMB-UHFFFAOYSA-N -1 1 377.752 2.911 20 10 GFCDMM CN1CCOc2ccc(C(=O)NCc3cccc(Br)c3[O-])cc21 ZINC000807416810 659854816 /nfs/dbraw/zinc/85/48/16/659854816.db2.gz NSCCSZLETPEDML-UHFFFAOYSA-N -1 1 377.238 2.913 20 10 GFCDMM CN(C)c1cc(Br)cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000814569219 660089187 /nfs/dbraw/zinc/08/91/87/660089187.db2.gz KOSDMPZFUGSYCS-UHFFFAOYSA-N -1 1 394.221 2.966 20 10 GFCDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)o1 ZINC000846472370 661552176 /nfs/dbraw/zinc/55/21/76/661552176.db2.gz ITZFRWYPBZDIHW-UHFFFAOYSA-N -1 1 386.857 2.645 20 10 GFCDMM COC(=O)C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000852604546 661867810 /nfs/dbraw/zinc/86/78/10/661867810.db2.gz OOJYSNSJAJFYJL-LBPRGKRZSA-N -1 1 385.258 2.543 20 10 GFCDMM CN(Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000894023831 663438040 /nfs/dbraw/zinc/43/80/40/663438040.db2.gz BVUVZLQFXFQQOM-LLVKDONJSA-N -1 1 399.182 2.889 20 10 GFCDMM CC(C)(C)N1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1=O ZINC000897575998 663612116 /nfs/dbraw/zinc/61/21/16/663612116.db2.gz BAEQUGKLUMYJLO-GFCCVEGCSA-N -1 1 383.286 2.808 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccnn1[C@H]1CCOC1 ZINC000934117220 664890059 /nfs/dbraw/zinc/89/00/59/664890059.db2.gz ZPTAEXPAEJGMMX-NSHDSACASA-N -1 1 381.230 2.634 20 10 GFCDMM CC1CCN(c2cccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000736281821 598911154 /nfs/dbraw/zinc/91/11/54/598911154.db2.gz XKRLLGMBIULMPF-UHFFFAOYSA-N -1 1 398.492 2.904 20 10 GFCDMM COc1ccc(CN2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000821795108 599311497 /nfs/dbraw/zinc/31/14/97/599311497.db2.gz TWYIHDXSWRDLTG-ZSOIEALJSA-N -1 1 399.457 2.870 20 10 GFCDMM COc1ccc(CN2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1 ZINC000821795108 599311499 /nfs/dbraw/zinc/31/14/99/599311499.db2.gz TWYIHDXSWRDLTG-ZSOIEALJSA-N -1 1 399.457 2.870 20 10 GFCDMM COc1cc(CCNC(=O)NCc2cccc(Br)c2[O-])ccc1O ZINC000765498750 656144290 /nfs/dbraw/zinc/14/42/90/656144290.db2.gz JHKUKJFSTXDAJO-UHFFFAOYSA-N -1 1 395.253 2.911 20 10 GFCDMM CN(CC(=O)NCc1cccc(Br)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000765725943 656148932 /nfs/dbraw/zinc/14/89/32/656148932.db2.gz AOYOHRBEOAGOBI-UHFFFAOYSA-N -1 1 394.225 2.816 20 10 GFCDMM C[C@@H](Oc1cccc(CO)c1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765735219 656149627 /nfs/dbraw/zinc/14/96/27/656149627.db2.gz DZDYVYQKVVUPLW-LLVKDONJSA-N -1 1 380.238 2.731 20 10 GFCDMM O=C(Cn1ccc(C(F)(F)F)n1)NCc1cccc(Br)c1[O-] ZINC000765737706 656149873 /nfs/dbraw/zinc/14/98/73/656149873.db2.gz WHBUCCZHHBXFNB-UHFFFAOYSA-N -1 1 378.148 2.686 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1Cc2ccccc2C(=O)O1 ZINC000765756340 656151130 /nfs/dbraw/zinc/15/11/30/656151130.db2.gz MSOCCZLQCMRBFZ-AWEZNQCLSA-N -1 1 376.206 2.553 20 10 GFCDMM Cn1cnc2cc(S(=O)(=O)NCc3cccc(Br)c3[O-])ccc21 ZINC000766180336 656163963 /nfs/dbraw/zinc/16/39/63/656163963.db2.gz PGBWEAGRFXUYGX-UHFFFAOYSA-N -1 1 396.266 2.520 20 10 GFCDMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115650 659877987 /nfs/dbraw/zinc/87/79/87/659877987.db2.gz MYBZWWFTCYTSHG-UHFFFAOYSA-N -1 1 377.777 2.982 20 10 GFCDMM COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809696721 659936539 /nfs/dbraw/zinc/93/65/39/659936539.db2.gz PJZDFFWOPHLCKO-CYBMUJFWSA-N -1 1 382.722 2.881 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCCN1CC(F)F ZINC000858749463 662121302 /nfs/dbraw/zinc/12/13/02/662121302.db2.gz QBIVKVYHYPLJPM-NSHDSACASA-N -1 1 392.244 2.683 20 10 GFCDMM O=C(CCc1nnc(C(F)F)o1)NCc1cccc(Br)c1[O-] ZINC000867830965 662580941 /nfs/dbraw/zinc/58/09/41/662580941.db2.gz MNXRIYDKUWVKQM-UHFFFAOYSA-N -1 1 376.157 2.724 20 10 GFCDMM CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000907757444 664059264 /nfs/dbraw/zinc/05/92/64/664059264.db2.gz GESWFEFLDSVASK-RYUDHWBXSA-N -1 1 399.285 2.932 20 10 GFCDMM O=C(CSc1ncnc2sccc21)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916608691 664466641 /nfs/dbraw/zinc/46/66/41/664466641.db2.gz DXAGORQBHAWSSI-UHFFFAOYSA-N -1 1 376.415 2.621 20 10 GFCDMM Cn1cc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(Br)n1 ZINC000922469396 664602972 /nfs/dbraw/zinc/60/29/72/664602972.db2.gz NHRYKVKRTDROJZ-UHFFFAOYSA-N -1 1 375.610 2.740 20 10 GFCDMM COc1cc(Br)cc(C[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC000378352074 563503875 /nfs/dbraw/zinc/50/38/75/563503875.db2.gz XWDASQSEYDTHRV-CQSZACIVSA-N -1 1 383.286 2.654 20 10 GFCDMM CCOC(CCNC(=O)NCc1cccc(Br)c1[O-])OCC ZINC000277349028 655314161 /nfs/dbraw/zinc/31/41/61/655314161.db2.gz GFGVQGKWMNDRCK-UHFFFAOYSA-N -1 1 375.263 2.743 20 10 GFCDMM CCOC(=O)N1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277451718 655319977 /nfs/dbraw/zinc/31/99/77/655319977.db2.gz GHPRVCQTXWJKTJ-GFCCVEGCSA-N -1 1 385.258 2.639 20 10 GFCDMM CCOc1ncccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764760469 656118901 /nfs/dbraw/zinc/11/89/01/656118901.db2.gz GCVPYCJQPRZINK-UHFFFAOYSA-N -1 1 380.242 2.948 20 10 GFCDMM CS(=O)(=O)c1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765217183 656137492 /nfs/dbraw/zinc/13/74/92/656137492.db2.gz IAWZIGWDKABYFD-UHFFFAOYSA-N -1 1 399.266 2.880 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cnn(C[C@H]2CCCO2)c1 ZINC000765301580 656140000 /nfs/dbraw/zinc/14/00/00/656140000.db2.gz CVTWNDHGAWHYMC-CYBMUJFWSA-N -1 1 395.257 2.852 20 10 GFCDMM CCC[C@H](C)N1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000765747589 656150305 /nfs/dbraw/zinc/15/03/05/656150305.db2.gz PTXYFQVPXRZAQN-AAEUAGOBSA-N -1 1 383.286 2.808 20 10 GFCDMM C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765756417 656151126 /nfs/dbraw/zinc/15/11/26/656151126.db2.gz MWJGHWNXFXAZKB-LLVKDONJSA-N -1 1 377.238 2.589 20 10 GFCDMM CC(C)(C)n1cc(C(=O)C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765766728 656151568 /nfs/dbraw/zinc/15/15/68/656151568.db2.gz ASADDWGXGZDTCD-UHFFFAOYSA-N -1 1 380.242 2.605 20 10 GFCDMM COC(=O)C12CCC(C(=O)NCc3cccc(Br)c3[O-])(CC1)C2 ZINC000765774880 656152108 /nfs/dbraw/zinc/15/21/08/656152108.db2.gz CINAXJUXXWYBDP-UHFFFAOYSA-N -1 1 382.254 2.894 20 10 GFCDMM Cc1cccc(NC(=O)NCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765771275 656152173 /nfs/dbraw/zinc/15/21/73/656152173.db2.gz YRVHJHAZJOJSTP-UHFFFAOYSA-N -1 1 392.253 2.901 20 10 GFCDMM CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000766048954 656158633 /nfs/dbraw/zinc/15/86/33/656158633.db2.gz YAHBDBWIKKXGLN-UHFFFAOYSA-N -1 1 387.772 2.886 20 10 GFCDMM Cc1cc(C)n2nc(NC(=O)NCc3cccc(Br)c3[O-])nc2n1 ZINC000766237229 656166149 /nfs/dbraw/zinc/16/61/49/656166149.db2.gz VZHHNEHKDHSEGX-UHFFFAOYSA-N -1 1 391.229 2.531 20 10 GFCDMM Cc1ccc(S(=O)(=O)NCCN(C)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775725264 656674111 /nfs/dbraw/zinc/67/41/11/656674111.db2.gz RAOFMRLHZRMJON-UHFFFAOYSA-N -1 1 386.876 2.903 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN(CC(=O)N(C)C)CC(F)(F)F)c1 ZINC000781898242 657086681 /nfs/dbraw/zinc/08/66/81/657086681.db2.gz WAOWXKONOJNLEE-UHFFFAOYSA-N -1 1 383.208 2.916 20 10 GFCDMM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1F ZINC000790163637 657934098 /nfs/dbraw/zinc/93/40/98/657934098.db2.gz HCALXGDVZXNNNN-UHFFFAOYSA-N -1 1 384.860 2.794 20 10 GFCDMM C[C@H](CO)NC(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000798085255 659073370 /nfs/dbraw/zinc/07/33/70/659073370.db2.gz OFMKOGLBNJFREP-LLVKDONJSA-N -1 1 379.254 2.877 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCC(CS(C)(=O)=O)CC2)c1 ZINC000814178538 660073880 /nfs/dbraw/zinc/07/38/80/660073880.db2.gz UHQGDRWOIKJJKX-UHFFFAOYSA-N -1 1 376.316 2.720 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCO[C@H]1c1ccncc1 ZINC000846015564 661522097 /nfs/dbraw/zinc/52/20/97/661522097.db2.gz NLWYVCWTTJXSMX-CJNGLKHVSA-N -1 1 377.238 2.944 20 10 GFCDMM CO[C@H](CS(=O)(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000849390731 661714446 /nfs/dbraw/zinc/71/44/46/661714446.db2.gz UUKCKXJASCOPJH-CQSZACIVSA-N -1 1 392.315 2.779 20 10 GFCDMM CC(C)(C)n1cc(Br)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)n1 ZINC000849854840 661749115 /nfs/dbraw/zinc/74/91/15/661749115.db2.gz DJISJFIWMAUOGP-UHFFFAOYSA-N -1 1 397.225 2.852 20 10 GFCDMM NC(=O)CC1(CNC(=O)NCc2cccc(Br)c2[O-])CCCCC1 ZINC000852690736 661871350 /nfs/dbraw/zinc/87/13/50/661871350.db2.gz ONNXPSMLXBBIEJ-UHFFFAOYSA-N -1 1 398.301 2.780 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCCN1CC(F)F ZINC000858749462 662121361 /nfs/dbraw/zinc/12/13/61/662121361.db2.gz QBIVKVYHYPLJPM-LLVKDONJSA-N -1 1 392.244 2.683 20 10 GFCDMM O=S(=O)(NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1)c1cccs1 ZINC000876558828 662862850 /nfs/dbraw/zinc/86/28/50/662862850.db2.gz WVYZVNJFNFARBY-UHFFFAOYSA-N -1 1 388.461 2.675 20 10 GFCDMM CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758738 663312092 /nfs/dbraw/zinc/31/20/92/663312092.db2.gz UWPJRNKKVJDGHJ-CYBMUJFWSA-N -1 1 382.869 2.807 20 10 GFCDMM O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1cc(Cl)cc(Cl)c1O ZINC000915669584 664436883 /nfs/dbraw/zinc/43/68/83/664436883.db2.gz QYITWAOKOHRWBU-HNNXBMFYSA-N -1 1 379.309 2.604 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccc(Cl)nc1 ZINC000823503544 599312401 /nfs/dbraw/zinc/31/24/01/599312401.db2.gz GSCVQYOLDKINMZ-YHYXMXQVSA-N -1 1 390.837 2.914 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1ccc(Cl)nc1 ZINC000823503544 599312405 /nfs/dbraw/zinc/31/24/05/599312405.db2.gz GSCVQYOLDKINMZ-YHYXMXQVSA-N -1 1 390.837 2.914 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1CCc1cccs1 ZINC000823503356 599312599 /nfs/dbraw/zinc/31/25/99/599312599.db2.gz DJSFOYOMRASWCT-WQLSENKSSA-N -1 1 389.487 2.965 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1CCc1cccs1 ZINC000823503356 599312602 /nfs/dbraw/zinc/31/26/02/599312602.db2.gz DJSFOYOMRASWCT-WQLSENKSSA-N -1 1 389.487 2.965 20 10 GFCDMM COc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1C(=O)[O-] ZINC000738069520 600659478 /nfs/dbraw/zinc/65/94/78/600659478.db2.gz GKCPUSHFCOKCPJ-UHFFFAOYSA-N -1 1 391.430 2.713 20 10 GFCDMM CCc1nsc(N2CCN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)n1 ZINC000830350241 600718601 /nfs/dbraw/zinc/71/86/01/600718601.db2.gz ALJMFXYYXWVMJA-UHFFFAOYSA-N -1 1 398.488 2.980 20 10 GFCDMM CN(C)c1ccc([C@H](CNC(=O)c2cc(F)cc3nc[nH]c32)NC(=O)[O-])cc1 ZINC000828063109 603028867 /nfs/dbraw/zinc/02/88/67/603028867.db2.gz AAQBRVJQQAZREC-INIZCTEOSA-N -1 1 385.399 2.507 20 10 GFCDMM C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000833829954 605956753 /nfs/dbraw/zinc/95/67/53/605956753.db2.gz HZPNMHBCZKFTFL-UONOGXRCSA-N -1 1 384.432 2.807 20 10 GFCDMM O=[N+]([O-])c1cc(NCc2ccc(N3CCSCC3)cc2)ccc1-c1nn[n-]n1 ZINC000823635001 606645939 /nfs/dbraw/zinc/64/59/39/606645939.db2.gz PIXXCNXDFRXFSA-UHFFFAOYSA-N -1 1 397.464 2.940 20 10 GFCDMM COc1ccc(CNS(C)(=O)=O)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000824936432 660405891 /nfs/dbraw/zinc/40/58/91/660405891.db2.gz YTAWSHIXAFLPKS-UHFFFAOYSA-N -1 1 388.848 2.855 20 10 GFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Br)cc2)c1 ZINC000093900244 655021907 /nfs/dbraw/zinc/02/19/07/655021907.db2.gz GHCFHZGGEDAXQV-UHFFFAOYSA-N -1 1 385.239 2.779 20 10 GFCDMM CCOC(=O)N1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277451720 655319979 /nfs/dbraw/zinc/31/99/79/655319979.db2.gz GHPRVCQTXWJKTJ-LBPRGKRZSA-N -1 1 385.258 2.639 20 10 GFCDMM CCC[C@H](C)C(=O)NCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000292837551 655355010 /nfs/dbraw/zinc/35/50/10/655355010.db2.gz QDOZPWSEKBNTQA-NSHDSACASA-N -1 1 386.290 2.506 20 10 GFCDMM COC(=O)C1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765493042 656144029 /nfs/dbraw/zinc/14/40/29/656144029.db2.gz JEQHEOQOTUYDOE-UHFFFAOYSA-N -1 1 385.258 2.686 20 10 GFCDMM NC(=O)CSc1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765735313 656149597 /nfs/dbraw/zinc/14/95/97/656149597.db2.gz GOIMESBPNDCCJX-UHFFFAOYSA-N -1 1 395.278 2.662 20 10 GFCDMM Cc1n[nH]c(C(=O)NCc2cccc(Br)c2[O-])c1Br ZINC000765735515 656149602 /nfs/dbraw/zinc/14/96/02/656149602.db2.gz HJKPCDNRGSVYFN-UHFFFAOYSA-N -1 1 389.047 2.879 20 10 GFCDMM O=C(CCNC(=O)C1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000765748555 656150567 /nfs/dbraw/zinc/15/05/67/656150567.db2.gz WOEMPOLISRQFRP-UHFFFAOYSA-N -1 1 383.286 2.858 20 10 GFCDMM CCS(=O)(=O)c1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765771262 656152167 /nfs/dbraw/zinc/15/21/67/656152167.db2.gz YFBWBRPCXNWXAS-UHFFFAOYSA-N -1 1 398.278 2.878 20 10 GFCDMM CCc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765904770 656154593 /nfs/dbraw/zinc/15/45/93/656154593.db2.gz VGYVCYQVNXOMTL-UHFFFAOYSA-N -1 1 377.238 2.972 20 10 GFCDMM Cc1nc(C)c(S(=O)(=O)NCc2cccc(Br)c2[O-])s1 ZINC000766199843 656164651 /nfs/dbraw/zinc/16/46/51/656164651.db2.gz JUPLBSKDGGVOIL-UHFFFAOYSA-N -1 1 377.285 2.707 20 10 GFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc(-c3cccs3)ns2)c1 ZINC000779327432 656921050 /nfs/dbraw/zinc/92/10/50/656921050.db2.gz XHOZPSGBMWYGIJ-UHFFFAOYSA-N -1 1 396.475 2.596 20 10 GFCDMM COCc1nc(CNC(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000811946184 660018102 /nfs/dbraw/zinc/01/81/02/660018102.db2.gz SPFKNYKDFLDRAN-UHFFFAOYSA-N -1 1 386.271 2.757 20 10 GFCDMM CO[C@@H](CC(C)C)CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000817139372 660181873 /nfs/dbraw/zinc/18/18/73/660181873.db2.gz TYJWXBSXTFSBID-LBPRGKRZSA-N -1 1 380.304 2.635 20 10 GFCDMM CC1(c2ncc(C(=O)NCc3cccc(Br)c3[O-])s2)OCCO1 ZINC000861332413 662240920 /nfs/dbraw/zinc/24/09/20/662240920.db2.gz AAVDNRZZJCJQLL-UHFFFAOYSA-N -1 1 399.266 2.761 20 10 GFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1nc(CN2CCOCC2)cs1 ZINC000929319377 664750113 /nfs/dbraw/zinc/75/01/13/664750113.db2.gz BGSGWWBSYSIVGL-UHFFFAOYSA-N -1 1 382.873 2.656 20 10 GFCDMM O=C(NCCCOC[C@H]1CCCO1)NCc1cccc(Br)c1[O-] ZINC000277779730 563226138 /nfs/dbraw/zinc/22/61/38/563226138.db2.gz QRYFPVUFRODCLG-CYBMUJFWSA-N -1 1 387.274 2.540 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000277272756 655310661 /nfs/dbraw/zinc/31/06/61/655310661.db2.gz AGNJWJXUZIJURR-NILFDRSVSA-N -1 1 381.270 2.912 20 10 GFCDMM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000765090456 656131248 /nfs/dbraw/zinc/13/12/48/656131248.db2.gz SPMPCVXQVANAPL-QHCPKHFHSA-N -1 1 385.854 2.556 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000765729595 656149359 /nfs/dbraw/zinc/14/93/59/656149359.db2.gz PQDAUZQFDHYFNT-UHFFFAOYSA-N -1 1 395.165 2.722 20 10 GFCDMM O=C(CN1C(=O)CCc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765750233 656150464 /nfs/dbraw/zinc/15/04/64/656150464.db2.gz CNIKBTSAPMXRTC-UHFFFAOYSA-N -1 1 389.249 2.750 20 10 GFCDMM COC(=O)COc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765764053 656151352 /nfs/dbraw/zinc/15/13/52/656151352.db2.gz GRDZDRCTYGBCEF-UHFFFAOYSA-N -1 1 394.221 2.637 20 10 GFCDMM Cc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c(F)c1 ZINC000765903862 656154312 /nfs/dbraw/zinc/15/43/12/656154312.db2.gz OLOUKGYCHYPPMB-UHFFFAOYSA-N -1 1 381.201 2.857 20 10 GFCDMM CC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766199304 656164631 /nfs/dbraw/zinc/16/46/31/656164631.db2.gz CKJLTMXOXMRWGY-UHFFFAOYSA-N -1 1 399.266 2.592 20 10 GFCDMM CN(C)c1c(Cl)cccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769712894 656287239 /nfs/dbraw/zinc/28/72/39/656287239.db2.gz YPYVFYFXJYQTBC-UHFFFAOYSA-N -1 1 383.857 2.735 20 10 GFCDMM COCc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000773758459 656470585 /nfs/dbraw/zinc/47/05/85/656470585.db2.gz ZHZACADVTUNPCD-UHFFFAOYSA-N -1 1 393.237 2.556 20 10 GFCDMM CCN(CC(=O)N(C)C)Cc1cc(Br)cc(Br)c1[O-] ZINC000775652243 656659935 /nfs/dbraw/zinc/65/99/35/656659935.db2.gz JJSVOGBRTGBIOE-UHFFFAOYSA-N -1 1 394.107 2.827 20 10 GFCDMM Cc1nc2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])ccc2s1 ZINC000781407801 657054962 /nfs/dbraw/zinc/05/49/62/657054962.db2.gz CYITXOOAUHNSJF-UHFFFAOYSA-N -1 1 377.447 2.934 20 10 GFCDMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000799184516 659171961 /nfs/dbraw/zinc/17/19/61/659171961.db2.gz OWWCVGQTBVLCER-UHFFFAOYSA-N -1 1 383.838 2.932 20 10 GFCDMM COC(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(Br)c2[O-])n1 ZINC000804654064 659665020 /nfs/dbraw/zinc/66/50/20/659665020.db2.gz GGNGSFQKEVNYFZ-UHFFFAOYSA-N -1 1 382.170 2.857 20 10 GFCDMM CS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000808115107 659877997 /nfs/dbraw/zinc/87/79/97/659877997.db2.gz ONMBAQYZDPDVCB-UHFFFAOYSA-N -1 1 397.808 2.528 20 10 GFCDMM O=S(=O)([N-]CCCSc1nccs1)c1ncccc1Br ZINC000849375246 661711577 /nfs/dbraw/zinc/71/15/77/661711577.db2.gz RAOAYEGGAPJFMT-UHFFFAOYSA-N -1 1 394.341 2.761 20 10 GFCDMM COC(=O)C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000852604545 661867781 /nfs/dbraw/zinc/86/77/81/661867781.db2.gz OOJYSNSJAJFYJL-GFCCVEGCSA-N -1 1 385.258 2.543 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccn(C2CCOCC2)n1 ZINC000861332520 662240973 /nfs/dbraw/zinc/24/09/73/662240973.db2.gz FAKRPSOAEXDAJO-UHFFFAOYSA-N -1 1 380.242 2.633 20 10 GFCDMM Cc1cn(C2CCOCC2)nc1C(=O)NCc1cccc(Br)c1[O-] ZINC000867831062 662580919 /nfs/dbraw/zinc/58/09/19/662580919.db2.gz OIZBYHDKSRRPGG-UHFFFAOYSA-N -1 1 394.269 2.941 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(CN2CCOCC2)o1 ZINC000879773992 662939243 /nfs/dbraw/zinc/93/92/43/662939243.db2.gz CGVWSXUMCLUQLD-UHFFFAOYSA-N -1 1 395.253 2.510 20 10 GFCDMM C[NH+](C)Cc1cc(NC(=O)NCc2cccc(Br)c2O)ccn1 ZINC000880613523 662964032 /nfs/dbraw/zinc/96/40/32/662964032.db2.gz UNJNVKTYMLFKBY-UHFFFAOYSA-N -1 1 379.258 2.933 20 10 GFCDMM COC(=O)[C@H](CC1CCOCC1)NCc1cc(C)cc(Br)c1[O-] ZINC000895588682 663519871 /nfs/dbraw/zinc/51/98/71/663519871.db2.gz DYHQFZDNKMCELU-HNNXBMFYSA-N -1 1 386.286 2.911 20 10 GFCDMM Cc1cc(Br)ccc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920979984 664534959 /nfs/dbraw/zinc/53/49/59/664534959.db2.gz POHLFXYPLPCWNA-KPKJPENVSA-N -1 1 396.310 2.953 20 10 GFCDMM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1cccc2nsnc21 ZINC000019100051 551114598 /nfs/dbraw/zinc/11/45/98/551114598.db2.gz CNFWFMOTKBEGAF-UHFFFAOYSA-N -1 1 383.838 2.917 20 10 GFCDMM CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000287499059 563604412 /nfs/dbraw/zinc/60/44/12/563604412.db2.gz VSDMXYJNIVTTAB-IUODEOHRSA-N -1 1 398.301 2.647 20 10 GFCDMM COc1cc(O)c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1OC ZINC000833728843 605242021 /nfs/dbraw/zinc/24/20/21/605242021.db2.gz ALPVVKMDHQYUBD-UHFFFAOYSA-N -1 1 381.812 2.855 20 10 GFCDMM Oc1ccccc1CN(C[C@@H]1CCCO1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826511509 608235379 /nfs/dbraw/zinc/23/53/79/608235379.db2.gz SPVJTOIPUFRTFU-ZDUSSCGKSA-N -1 1 386.843 2.806 20 10 GFCDMM Oc1ccccc1CN(C[C@@H]1CCCO1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826511509 608235380 /nfs/dbraw/zinc/23/53/80/608235380.db2.gz SPVJTOIPUFRTFU-ZDUSSCGKSA-N -1 1 386.843 2.806 20 10 GFCDMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1-c1ccc(C)c(F)c1 ZINC000826280661 608890292 /nfs/dbraw/zinc/89/02/92/608890292.db2.gz LCYOBCZBUCLRMB-UHFFFAOYSA-N -1 1 379.399 2.801 20 10 GFCDMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1-c1ccc(C)c(F)c1 ZINC000826280661 608890293 /nfs/dbraw/zinc/89/02/93/608890293.db2.gz LCYOBCZBUCLRMB-UHFFFAOYSA-N -1 1 379.399 2.801 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000277272751 655310652 /nfs/dbraw/zinc/31/06/52/655310652.db2.gz AGNJWJXUZIJURR-KCPJHIHWSA-N -1 1 381.270 2.912 20 10 GFCDMM CCN(CC)C(=O)CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277479348 655321950 /nfs/dbraw/zinc/32/19/50/655321950.db2.gz PNKHBWLMKNGYDI-UHFFFAOYSA-N -1 1 386.290 2.603 20 10 GFCDMM NC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000765278943 656139491 /nfs/dbraw/zinc/13/94/91/656139491.db2.gz TXIYOFWLSKYTNV-UHFFFAOYSA-N -1 1 382.189 2.714 20 10 GFCDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])CC1(C)OCCO1 ZINC000765536822 656144998 /nfs/dbraw/zinc/14/49/98/656144998.db2.gz SRPIPRXXUAFUFC-LLVKDONJSA-N -1 1 387.274 2.743 20 10 GFCDMM COc1cc(C=O)ccc1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765731933 656149362 /nfs/dbraw/zinc/14/93/62/656149362.db2.gz MQIXNWRNPQZSIM-UHFFFAOYSA-N -1 1 394.221 2.671 20 10 GFCDMM CCC[C@H](C)N1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000765747595 656150251 /nfs/dbraw/zinc/15/02/51/656150251.db2.gz PTXYFQVPXRZAQN-WCQYABFASA-N -1 1 383.286 2.808 20 10 GFCDMM CC(=O)c1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765903156 656154407 /nfs/dbraw/zinc/15/44/07/656154407.db2.gz GMPLSEFRHCUEGG-UHFFFAOYSA-N -1 1 391.221 2.612 20 10 GFCDMM Cc1cc(C)c2c(N)c(C(=O)OCCC[N-]C(=O)C(F)(F)F)sc2n1 ZINC000774902392 656568515 /nfs/dbraw/zinc/56/85/15/656568515.db2.gz NWXDLNFVNPNZDY-UHFFFAOYSA-N -1 1 375.372 2.721 20 10 GFCDMM CN(C)c1nc2sc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2s1 ZINC000783112678 657208940 /nfs/dbraw/zinc/20/89/40/657208940.db2.gz UGNGRNWPFAGGBA-UHFFFAOYSA-N -1 1 378.431 2.875 20 10 GFCDMM O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc([O-])c(O)c1 ZINC000783766023 657259542 /nfs/dbraw/zinc/25/95/42/657259542.db2.gz WGGRVDSDVNETGZ-UHFFFAOYSA-N -1 1 396.149 2.808 20 10 GFCDMM CCOC(=O)[C@@H](NCc1cc(C)cc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000789582677 657869962 /nfs/dbraw/zinc/86/99/62/657869962.db2.gz YALHLDOULWIAQI-DOMZBBRYSA-N -1 1 386.286 2.911 20 10 GFCDMM O=C(NCc1cnc2n1CCCC2)NCc1cccc(Br)c1[O-] ZINC000790973750 658050854 /nfs/dbraw/zinc/05/08/54/658050854.db2.gz YWQWGFVKLZLRSI-UHFFFAOYSA-N -1 1 379.258 2.687 20 10 GFCDMM O=C(NC1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1)C1CC1 ZINC000793969465 658466058 /nfs/dbraw/zinc/46/60/58/658466058.db2.gz OEKMRUNIKGKIJK-UHFFFAOYSA-N -1 1 395.297 2.856 20 10 GFCDMM COc1cc([N-]S(=O)(=O)c2ccc(Br)c(OC)c2)ccc1O ZINC000797820085 659055046 /nfs/dbraw/zinc/05/50/46/659055046.db2.gz FMNPXEVWHHNKNC-UHFFFAOYSA-N -1 1 388.239 2.973 20 10 GFCDMM CN(C)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC000814980724 660099843 /nfs/dbraw/zinc/09/98/43/660099843.db2.gz RJPJSRBYYJBLSP-UHFFFAOYSA-N -1 1 387.820 2.932 20 10 GFCDMM CO[C@H](CC(C)C)CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000817139371 660181859 /nfs/dbraw/zinc/18/18/59/660181859.db2.gz TYJWXBSXTFSBID-GFCCVEGCSA-N -1 1 380.304 2.635 20 10 GFCDMM O=C1NCCN1C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893866559 663428772 /nfs/dbraw/zinc/42/87/72/663428772.db2.gz PMERSIVACMWBDS-UHFFFAOYSA-N -1 1 388.693 2.798 20 10 GFCDMM O=C1N=NCN1C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000894611287 663471957 /nfs/dbraw/zinc/47/19/57/663471957.db2.gz NQHIDQAFSFEUPQ-UHFFFAOYSA-N -1 1 387.665 2.942 20 10 GFCDMM Cn1nnnc1C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000895470642 663516332 /nfs/dbraw/zinc/51/63/32/663516332.db2.gz MTAQGWNKKVQBQL-UHFFFAOYSA-N -1 1 386.681 2.711 20 10 GFCDMM CN(C)[C@H](CCNC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000926818755 664697069 /nfs/dbraw/zinc/69/70/69/664697069.db2.gz FNOITQPECSJANO-LLVKDONJSA-N -1 1 398.223 2.837 20 10 GFCDMM C[C@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CC[C@@H]1NC(=O)[O-] ZINC000739189190 603399624 /nfs/dbraw/zinc/39/96/24/603399624.db2.gz ZLFBXCBDZLQROD-GUYCJALGSA-N -1 1 384.432 2.807 20 10 GFCDMM COc1cccc(CN2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)c1O ZINC000833735803 604577558 /nfs/dbraw/zinc/57/75/58/604577558.db2.gz WWBZWVVVCNXCST-SFHVURJKSA-N -1 1 390.867 2.998 20 10 GFCDMM O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000826492710 608351442 /nfs/dbraw/zinc/35/14/42/608351442.db2.gz ZLOSCJRTOBLHIC-UHFFFAOYSA-N -1 1 386.220 2.680 20 10 GFCDMM CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000159421522 655114276 /nfs/dbraw/zinc/11/42/76/655114276.db2.gz DBOIZQNJXZEEKF-ZDUSSCGKSA-N -1 1 381.325 2.993 20 10 GFCDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000174672919 655205715 /nfs/dbraw/zinc/20/57/15/655205715.db2.gz CFODHGDYCCHIKK-UHFFFAOYSA-N -1 1 392.861 2.960 20 10 GFCDMM COCCOc1ncccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765278478 656139580 /nfs/dbraw/zinc/13/95/80/656139580.db2.gz PUWPMOPPJHDWJL-UHFFFAOYSA-N -1 1 396.241 2.897 20 10 GFCDMM Cn1c(=O)oc2c1cccc2NC(=O)NCc1cccc(Br)c1[O-] ZINC000765317394 656140434 /nfs/dbraw/zinc/14/04/34/656140434.db2.gz BCIFTJPWASMLAP-UHFFFAOYSA-N -1 1 392.209 2.921 20 10 GFCDMM CNC(=O)c1cccc(CCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765764495 656151295 /nfs/dbraw/zinc/15/12/95/656151295.db2.gz LBVQESFTTYDUDN-UHFFFAOYSA-N -1 1 391.265 2.763 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc2[nH]ccc2c1 ZINC000765904864 656154703 /nfs/dbraw/zinc/15/47/03/656154703.db2.gz ZNCQNQSFRGOKST-UHFFFAOYSA-N -1 1 388.221 2.891 20 10 GFCDMM Cc1cccc(F)c1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765927355 656154970 /nfs/dbraw/zinc/15/49/70/656154970.db2.gz QOKPFANLHQQCFP-UHFFFAOYSA-N -1 1 381.201 2.857 20 10 GFCDMM CN(C)c1cccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766198980 656164616 /nfs/dbraw/zinc/16/46/16/656164616.db2.gz BNVXXSONDYJXPR-UHFFFAOYSA-N -1 1 385.283 2.699 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccc(F)c(F)c1 ZINC000766200432 656164680 /nfs/dbraw/zinc/16/46/80/656164680.db2.gz LHLOHDOJWILBDZ-UHFFFAOYSA-N -1 1 378.194 2.911 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])C1Cc2ccccc2C1 ZINC000766201841 656164843 /nfs/dbraw/zinc/16/48/43/656164843.db2.gz VQRAVVDDYFKDDX-UHFFFAOYSA-N -1 1 382.279 2.742 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1c[nH]c2ncccc12 ZINC000766201912 656164871 /nfs/dbraw/zinc/16/48/71/656164871.db2.gz XLGCOKGDUVGSCT-UHFFFAOYSA-N -1 1 382.239 2.510 20 10 GFCDMM Cn1cnn(-c2ccc(NCc3cccc(Br)c3[O-])cc2)c1=O ZINC000777506508 656826370 /nfs/dbraw/zinc/82/63/70/656826370.db2.gz QTHBECDGSGUTBH-UHFFFAOYSA-N -1 1 375.226 2.651 20 10 GFCDMM COc1cc(Br)ccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783323762 657221743 /nfs/dbraw/zinc/22/17/43/657221743.db2.gz JMYVXRKQOYCTDJ-UHFFFAOYSA-N -1 1 381.178 2.909 20 10 GFCDMM COc1ccc(Br)cc1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783886942 657269075 /nfs/dbraw/zinc/26/90/75/657269075.db2.gz VSFOMMXQPQIDKX-UHFFFAOYSA-N -1 1 395.205 2.838 20 10 GFCDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808114812 659878089 /nfs/dbraw/zinc/87/80/89/659878089.db2.gz HWMOKJAWLNRICW-UHFFFAOYSA-N -1 1 376.749 2.902 20 10 GFCDMM COc1cccc2c1n[nH]c2C(=O)NCc1cccc(Br)c1[O-] ZINC000809797720 659939582 /nfs/dbraw/zinc/93/95/82/659939582.db2.gz CVARPEKAARMXNT-UHFFFAOYSA-N -1 1 376.210 2.970 20 10 GFCDMM CCOCn1nc(C)c(CC(=O)NCc2cccc(Br)c2[O-])c1C ZINC000867831935 662581165 /nfs/dbraw/zinc/58/11/65/662581165.db2.gz GFJGVIGTNQXLRF-UHFFFAOYSA-N -1 1 396.285 2.821 20 10 GFCDMM CC(C)CN1C(=O)C(=CNCc2ccc(Cl)cc2Cl)C(=O)[N-]C1=S ZINC000920976088 664534941 /nfs/dbraw/zinc/53/49/41/664534941.db2.gz HGWNWUCYXLZXFP-KPKJPENVSA-N -1 1 386.304 2.866 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC000932997949 664846664 /nfs/dbraw/zinc/84/66/64/664846664.db2.gz HLARCTBDNUIRBP-SKDRFNHKSA-N -1 1 397.191 2.921 20 10 GFCDMM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277694983 563221620 /nfs/dbraw/zinc/22/16/20/563221620.db2.gz HGMPSKJDEXOZBK-DGCLKSJQSA-N -1 1 398.301 2.601 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCN1CC(F)(F)F ZINC000293389421 563810859 /nfs/dbraw/zinc/81/08/59/563810859.db2.gz RHEDPYJTBDIPRW-NSHDSACASA-N -1 1 381.192 2.798 20 10 GFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)COc1ccc(F)cc1 ZINC000739794234 600145676 /nfs/dbraw/zinc/14/56/76/600145676.db2.gz XECOSMIMISAGTF-OAHLLOKOSA-N -1 1 383.803 2.511 20 10 GFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)COc1ccc(F)cc1 ZINC000739794234 600145679 /nfs/dbraw/zinc/14/56/79/600145679.db2.gz XECOSMIMISAGTF-OAHLLOKOSA-N -1 1 383.803 2.511 20 10 GFCDMM COc1ccc(CNS(C)(=O)=O)cc1NCc1c([O-])ccc(Cl)c1F ZINC000824935943 660405904 /nfs/dbraw/zinc/40/59/04/660405904.db2.gz ORYIPHPBSFJRIS-UHFFFAOYSA-N -1 1 388.848 2.855 20 10 GFCDMM CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1cccc(Br)c1[O-] ZINC000277427306 655318928 /nfs/dbraw/zinc/31/89/28/655318928.db2.gz DKVNFZSILBXNNT-AWEZNQCLSA-N -1 1 395.253 2.819 20 10 GFCDMM COc1ccc(O)c(CNC(=O)c2ccc(I)c([O-])c2)c1 ZINC000760919210 655994697 /nfs/dbraw/zinc/99/46/97/655994697.db2.gz SMPRUFMHPPIPLM-UHFFFAOYSA-N -1 1 399.184 2.641 20 10 GFCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])ccc1C(N)=O ZINC000765282422 656139588 /nfs/dbraw/zinc/13/95/88/656139588.db2.gz UPQGOHUKZPFEDF-UHFFFAOYSA-N -1 1 378.226 2.884 20 10 GFCDMM COc1cc(C(=O)NCc2cccc(Br)c2[O-])cc(OC)c1O ZINC000765748615 656150524 /nfs/dbraw/zinc/15/05/24/656150524.db2.gz XVILTRUVLBAKKT-UHFFFAOYSA-N -1 1 382.210 2.808 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1scnc1C1CC1 ZINC000765928308 656155193 /nfs/dbraw/zinc/15/51/93/656155193.db2.gz XOBMAQZRWUXCPT-UHFFFAOYSA-N -1 1 396.266 2.744 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccc2c(c1)COC2 ZINC000766206562 656165222 /nfs/dbraw/zinc/16/52/22/656165222.db2.gz HHHYZBHJAXHVTI-UHFFFAOYSA-N -1 1 384.251 2.663 20 10 GFCDMM Nc1c(F)cc(Br)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783643303 657248987 /nfs/dbraw/zinc/24/89/87/657248987.db2.gz KPPCQJZUVFDKCC-UHFFFAOYSA-N -1 1 384.157 2.621 20 10 GFCDMM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808115492 659878041 /nfs/dbraw/zinc/87/80/41/659878041.db2.gz GSKUHPYLEQWJCB-UHFFFAOYSA-N -1 1 375.761 2.698 20 10 GFCDMM Cc1nc2ccc(NC(=O)NCc3cccc(Br)c3[O-])cn2n1 ZINC000809895810 659951472 /nfs/dbraw/zinc/95/14/72/659951472.db2.gz WQCDRUOKMXVBSK-UHFFFAOYSA-N -1 1 376.214 2.828 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1 ZINC000877815345 662884763 /nfs/dbraw/zinc/88/47/63/662884763.db2.gz ABILRYJYCADIQK-IYBDPMFKSA-N -1 1 388.327 2.720 20 10 GFCDMM CN(Cc1cc(Br)cc(F)c1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000894023832 663437957 /nfs/dbraw/zinc/43/79/57/663437957.db2.gz BVUVZLQFXFQQOM-NSHDSACASA-N -1 1 399.182 2.889 20 10 GFCDMM O=C(COc1ccc(Br)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590138 664465631 /nfs/dbraw/zinc/46/56/31/664465631.db2.gz BCYSAYRMNDYQNE-UHFFFAOYSA-N -1 1 381.178 2.665 20 10 GFCDMM Cn1ccnc1-c1n[n-]c(=NC(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000376585263 563447598 /nfs/dbraw/zinc/44/75/98/563447598.db2.gz BIGVHGRAPHDLPD-UHFFFAOYSA-N -1 1 399.263 2.695 20 10 GFCDMM COc1cc(C)c(NS(=O)(=O)c2cccc3nsnc32)c(C(=O)[O-])c1 ZINC000547934400 564522480 /nfs/dbraw/zinc/52/24/80/564522480.db2.gz NWBHWAFOZIRIEI-UHFFFAOYSA-N -1 1 379.419 2.507 20 10 GFCDMM COc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c(C)c1 ZINC000738069564 600054949 /nfs/dbraw/zinc/05/49/49/600054949.db2.gz LHGKPHGBKCZOEY-UHFFFAOYSA-N -1 1 393.446 2.954 20 10 GFCDMM CSCCCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000821962658 606394071 /nfs/dbraw/zinc/39/40/71/606394071.db2.gz VEXHCCTVAGHEIU-JXMROGBWSA-N -1 1 383.549 2.883 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnn1C1CCOCC1 ZINC000834475828 660821840 /nfs/dbraw/zinc/82/18/40/660821840.db2.gz FFOAMVHXWNQDLK-UHFFFAOYSA-N -1 1 380.242 2.633 20 10 GFCDMM CCN(Cc1cc(Br)ccc1O)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000124424002 654775883 /nfs/dbraw/zinc/77/58/83/654775883.db2.gz DJMWNJHPQKQNRM-UHFFFAOYSA-N -1 1 396.197 2.826 20 10 GFCDMM C[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1cc(Br)cc(F)c1[O-] ZINC000757635906 655914010 /nfs/dbraw/zinc/91/40/10/655914010.db2.gz BQWNCPGUVABFLR-SECBINFHSA-N -1 1 385.237 2.752 20 10 GFCDMM COc1cc(N2CCN(Cc3cc(C)cc(Br)c3[O-])CC2)ncn1 ZINC000764675870 656116558 /nfs/dbraw/zinc/11/65/58/656116558.db2.gz CFFZTIKBBYEOMR-UHFFFAOYSA-N -1 1 393.285 2.584 20 10 GFCDMM CNC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765236353 656138461 /nfs/dbraw/zinc/13/84/61/656138461.db2.gz ZHGNHBNLPRYJGE-UHFFFAOYSA-N -1 1 378.226 2.836 20 10 GFCDMM COc1ccc(NC(=O)NCc2cccc(Br)c2[O-])c(OC)n1 ZINC000765258295 656138719 /nfs/dbraw/zinc/13/87/19/656138719.db2.gz QGECDEJKXYAJGK-UHFFFAOYSA-N -1 1 382.214 2.889 20 10 GFCDMM C[C@H](Oc1cccc(CO)c1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765735221 656149618 /nfs/dbraw/zinc/14/96/18/656149618.db2.gz DZDYVYQKVVUPLW-NSHDSACASA-N -1 1 380.238 2.731 20 10 GFCDMM O=C(C[C@H]1Oc2ccccc2NC1=O)NCc1cccc(Br)c1[O-] ZINC000765770400 656151918 /nfs/dbraw/zinc/15/19/18/656151918.db2.gz QGEYSFXQKFTIIB-CQSZACIVSA-N -1 1 391.221 2.561 20 10 GFCDMM Cc1cnc(Cl)c(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765903239 656154278 /nfs/dbraw/zinc/15/42/78/656154278.db2.gz IEFXBTKLCWXCLI-UHFFFAOYSA-N -1 1 398.644 2.766 20 10 GFCDMM CC(=O)c1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765904869 656154685 /nfs/dbraw/zinc/15/46/85/656154685.db2.gz ZWYCHLYPINTRPB-UHFFFAOYSA-N -1 1 391.221 2.612 20 10 GFCDMM COC(=O)c1ccnc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000770680326 656326654 /nfs/dbraw/zinc/32/66/54/656326654.db2.gz GFKLTVRFAKYABU-UHFFFAOYSA-N -1 1 380.198 2.658 20 10 GFCDMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCOCC3)cc2)sc1C ZINC000771940578 656366855 /nfs/dbraw/zinc/36/68/55/656366855.db2.gz UTQNBCGKECSLKV-ZDUSSCGKSA-N -1 1 381.523 2.636 20 10 GFCDMM COc1cccc(C)c1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000773754206 656470665 /nfs/dbraw/zinc/47/06/65/656470665.db2.gz HRJLVCHUDNBDSB-UHFFFAOYSA-N -1 1 393.237 2.727 20 10 GFCDMM C[S@@](=O)c1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000798002678 659070940 /nfs/dbraw/zinc/07/09/40/659070940.db2.gz OROFOXMBZZSJRS-JOCHJYFZSA-N -1 1 382.279 2.751 20 10 GFCDMM C[C@@H](CO)NC(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000798085256 659073463 /nfs/dbraw/zinc/07/34/63/659073463.db2.gz OFMKOGLBNJFREP-NSHDSACASA-N -1 1 379.254 2.877 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cnc(Cl)c(F)c1 ZINC000805081153 659736145 /nfs/dbraw/zinc/73/61/45/659736145.db2.gz UALYFSOXMURFHX-UHFFFAOYSA-N -1 1 395.637 2.821 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCN(CC(F)F)C1 ZINC000867831638 662581247 /nfs/dbraw/zinc/58/12/47/662581247.db2.gz AOYIDPHJHBUTNG-NSHDSACASA-N -1 1 377.229 2.748 20 10 GFCDMM CC1(c2ccc(S(=O)(=O)NCc3cccc(Cl)c3[O-])cc2)OCCO1 ZINC000908326712 664099352 /nfs/dbraw/zinc/09/93/52/664099352.db2.gz CLOMHONKAPZZOP-UHFFFAOYSA-N -1 1 383.853 2.744 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H](c1ncccn1)C1CC1 ZINC000925463778 664672582 /nfs/dbraw/zinc/67/25/82/664672582.db2.gz BVBLXPRLJQWJTH-ZDUSSCGKSA-N -1 1 377.242 2.895 20 10 GFCDMM CCCc1csc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000279515294 563299789 /nfs/dbraw/zinc/29/97/89/563299789.db2.gz XUUNPJLDKBHODS-UHFFFAOYSA-N -1 1 398.282 2.819 20 10 GFCDMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1 ZINC000737225784 599029594 /nfs/dbraw/zinc/02/95/94/599029594.db2.gz RNOXALWONYWMPH-UHFFFAOYSA-N -1 1 384.465 2.576 20 10 GFCDMM FC(F)Oc1ccc(N2CCC[C@@H](Nc3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC000822732152 599084016 /nfs/dbraw/zinc/08/40/16/599084016.db2.gz IPONSOPMCGEXRK-GFCCVEGCSA-N -1 1 387.394 2.944 20 10 GFCDMM FC(F)Oc1ccc(N2CCC[C@@H](Nc3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000822732152 599084019 /nfs/dbraw/zinc/08/40/19/599084019.db2.gz IPONSOPMCGEXRK-GFCCVEGCSA-N -1 1 387.394 2.944 20 10 GFCDMM Nc1ccc(F)c(NC(=O)CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000833091029 601317477 /nfs/dbraw/zinc/31/74/77/601317477.db2.gz HQYGCBCBMBUFSD-UHFFFAOYSA-N -1 1 395.818 2.682 20 10 GFCDMM Nc1ccc(F)c(NC(=O)CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000833091029 601317478 /nfs/dbraw/zinc/31/74/78/601317478.db2.gz HQYGCBCBMBUFSD-UHFFFAOYSA-N -1 1 395.818 2.682 20 10 GFCDMM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000826800644 604914470 /nfs/dbraw/zinc/91/44/70/604914470.db2.gz PEZOIYHXTIKAMV-JKSUJKDBSA-N -1 1 397.903 2.809 20 10 GFCDMM COc1ccc(O)c(CN2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1 ZINC000833733819 605248556 /nfs/dbraw/zinc/24/85/56/605248556.db2.gz RKWGNFAOZYBTML-LJQANCHMSA-N -1 1 390.867 2.998 20 10 GFCDMM O=C([O-])NCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000834235238 605927167 /nfs/dbraw/zinc/92/71/67/605927167.db2.gz HUMXACIVVHIXLY-OAHLLOKOSA-N -1 1 383.876 2.564 20 10 GFCDMM O=C([O-])NCCCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000834235238 605927169 /nfs/dbraw/zinc/92/71/69/605927169.db2.gz HUMXACIVVHIXLY-OAHLLOKOSA-N -1 1 383.876 2.564 20 10 GFCDMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000274742982 655199706 /nfs/dbraw/zinc/19/97/06/655199706.db2.gz CZIYNKLJMHOZNQ-UHFFFAOYSA-N -1 1 383.491 2.912 20 10 GFCDMM COc1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)ccc1Cl ZINC000840911556 661205511 /nfs/dbraw/zinc/20/55/11/661205511.db2.gz HGJBVYZSDVMQES-UHFFFAOYSA-N -1 1 382.869 2.986 20 10 GFCDMM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764784131 656119544 /nfs/dbraw/zinc/11/95/44/656119544.db2.gz OPMHXXDWJQJKJC-JTQLQIEISA-N -1 1 395.301 2.935 20 10 GFCDMM O=C(Cn1cnc(-c2ccccc2)n1)NCc1cccc(Br)c1[O-] ZINC000765727502 656148981 /nfs/dbraw/zinc/14/89/81/656148981.db2.gz BNTBVCKUBFIZBT-UHFFFAOYSA-N -1 1 387.237 2.730 20 10 GFCDMM Cc1cnn(Cc2cc(C(=O)NCc3cccc(Br)c3[O-])no2)c1 ZINC000765731291 656149351 /nfs/dbraw/zinc/14/93/51/656149351.db2.gz ZTSHVLCIYISCHF-UHFFFAOYSA-N -1 1 391.225 2.626 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccccc1N1CCOCC1 ZINC000765746988 656150339 /nfs/dbraw/zinc/15/03/39/656150339.db2.gz IUACLKRRSYLEBJ-UHFFFAOYSA-N -1 1 391.265 2.921 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCN1c1nccs1 ZINC000765769626 656151876 /nfs/dbraw/zinc/15/18/76/656151876.db2.gz MWQXYGQIKCPGEF-LBPRGKRZSA-N -1 1 382.283 2.896 20 10 GFCDMM CSc1ccncc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765926608 656154897 /nfs/dbraw/zinc/15/48/97/656154897.db2.gz NLFPLDNUNJUVKH-UHFFFAOYSA-N -1 1 396.266 2.527 20 10 GFCDMM COc1ccc(F)c(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765928297 656155176 /nfs/dbraw/zinc/15/51/76/656155176.db2.gz XKBOHNYLRJKBRG-UHFFFAOYSA-N -1 1 397.200 2.557 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cccc2cc[nH]c21 ZINC000765930100 656155199 /nfs/dbraw/zinc/15/51/99/656155199.db2.gz ICHKMYGMMQFTIY-UHFFFAOYSA-N -1 1 388.221 2.891 20 10 GFCDMM CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000766891314 656187616 /nfs/dbraw/zinc/18/76/16/656187616.db2.gz CSGKAJLCYGIANZ-UHFFFAOYSA-N -1 1 396.273 2.903 20 10 GFCDMM CCS(=O)(=O)C1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000775205980 656614970 /nfs/dbraw/zinc/61/49/70/656614970.db2.gz RMWJKKLMIZQKRK-UHFFFAOYSA-N -1 1 376.316 2.862 20 10 GFCDMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000775291826 656623886 /nfs/dbraw/zinc/62/38/86/656623886.db2.gz PRYPVYCYRXAYMU-UHFFFAOYSA-N -1 1 383.491 2.912 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN(C)Cc2ncnn2CC(F)F)c1 ZINC000787333962 657544733 /nfs/dbraw/zinc/54/47/33/657544733.db2.gz BKUMNODKTLHXSK-UHFFFAOYSA-N -1 1 375.217 2.952 20 10 GFCDMM Cc1nc(CS(=O)(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000790445439 657981604 /nfs/dbraw/zinc/98/16/04/657981604.db2.gz SIEACMIIFXNTKT-UHFFFAOYSA-N -1 1 377.285 2.539 20 10 GFCDMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000793415091 658394165 /nfs/dbraw/zinc/39/41/65/658394165.db2.gz IQOLUCIPLCNNHA-UHFFFAOYSA-N -1 1 385.825 2.779 20 10 GFCDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808114715 659878010 /nfs/dbraw/zinc/87/80/10/659878010.db2.gz FWURWIVLNJJMDW-UHFFFAOYSA-N -1 1 376.749 2.902 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CC2(CO1)CCOCC2 ZINC000869036993 662627520 /nfs/dbraw/zinc/62/75/20/662627520.db2.gz JKEYDVAHRASYSY-ZDUSSCGKSA-N -1 1 399.285 2.540 20 10 GFCDMM NC(=O)Cc1cccc2c1CC[N@@H+](Cc1ccc(Br)cc1O)C2 ZINC000877678937 662881614 /nfs/dbraw/zinc/88/16/14/662881614.db2.gz VGPZKTSSMOQHMY-UHFFFAOYSA-N -1 1 375.266 2.741 20 10 GFCDMM COC(=O)[C@@H](Cc1cncs1)NCc1cc(C)cc(Br)c1[O-] ZINC000877800197 662884419 /nfs/dbraw/zinc/88/44/19/662884419.db2.gz DOFLWYCTFGZFCP-CYBMUJFWSA-N -1 1 385.283 2.794 20 10 GFCDMM O=C1N[C@H](c2cc(O)cc(Br)c2[O-])N2CCc3ccccc3[C@@H]12 ZINC000877856258 662885148 /nfs/dbraw/zinc/88/51/48/662885148.db2.gz QFLIGXXKRCOLQT-HOCLYGCPSA-N -1 1 375.222 2.588 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(O[C@@H]2CCOC2)c1 ZINC000277558564 563213498 /nfs/dbraw/zinc/21/34/98/563213498.db2.gz PCKVITDRSQMLEY-CYBMUJFWSA-N -1 1 393.237 2.647 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCN(CC(F)(F)F)C1 ZINC000281094474 563366514 /nfs/dbraw/zinc/36/65/14/563366514.db2.gz CELRZWLTZNIHAH-JTQLQIEISA-N -1 1 381.192 2.655 20 10 GFCDMM COc1ccc(OC)c([C@@H](O)C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000738047479 600314999 /nfs/dbraw/zinc/31/49/99/600314999.db2.gz FBTDQCHMZWHSOF-KRWDZBQOSA-N -1 1 395.839 2.683 20 10 GFCDMM COc1ccc(OC)c([C@@H](O)C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000738047479 600315003 /nfs/dbraw/zinc/31/50/03/600315003.db2.gz FBTDQCHMZWHSOF-KRWDZBQOSA-N -1 1 395.839 2.683 20 10 GFCDMM O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826492593 608351762 /nfs/dbraw/zinc/35/17/62/608351762.db2.gz SSMDQOSBFZWMIC-UHFFFAOYSA-N -1 1 386.220 2.680 20 10 GFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc(CC(F)(F)F)cs2)c1 ZINC000819296757 660253965 /nfs/dbraw/zinc/25/39/65/660253965.db2.gz WZQKDEBFUSXYIF-UHFFFAOYSA-N -1 1 395.384 2.577 20 10 GFCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000063849098 654859024 /nfs/dbraw/zinc/85/90/24/654859024.db2.gz LIJYXSMTGLKPTJ-UHFFFAOYSA-N -1 1 390.433 2.917 20 10 GFCDMM CC(C)(C)OC(=O)N1CCc2nc(C=C3SC(=S)[N-]C3=O)sc2C1 ZINC000840713497 661178097 /nfs/dbraw/zinc/17/80/97/661178097.db2.gz SHLGXRCONXCVPD-TWGQIWQCSA-N -1 1 383.520 2.925 20 10 GFCDMM COc1ccc(COCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765763402 656151308 /nfs/dbraw/zinc/15/13/08/656151308.db2.gz AQUXFFDWCWNAKR-UHFFFAOYSA-N -1 1 380.238 2.996 20 10 GFCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])nnn1-c1ccccc1 ZINC000765767940 656151977 /nfs/dbraw/zinc/15/19/77/656151977.db2.gz GJKWFYKGALJDCT-UHFFFAOYSA-N -1 1 387.237 2.974 20 10 GFCDMM COc1cc(C=C2SC(=S)[N-]C2=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000778518446 656883600 /nfs/dbraw/zinc/88/36/00/656883600.db2.gz PQHZHUAFIXTWBM-KMKOMSMNSA-N -1 1 376.362 2.736 20 10 GFCDMM CCOC(=O)[C@H](NCc1cc(C)cc(Br)c1[O-])[C@H]1CCCOC1 ZINC000789582679 657869803 /nfs/dbraw/zinc/86/98/03/657869803.db2.gz YALHLDOULWIAQI-SWLSCSKDSA-N -1 1 386.286 2.911 20 10 GFCDMM CCc1nc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])sc1C ZINC000789783117 657890309 /nfs/dbraw/zinc/89/03/09/657890309.db2.gz PHWVFHSHPZKOSU-UHFFFAOYSA-N -1 1 398.282 2.737 20 10 GFCDMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(O)cc2)c(OC(F)(F)F)c1 ZINC000792698810 658312857 /nfs/dbraw/zinc/31/28/57/658312857.db2.gz QPUWBJZFVREISE-UHFFFAOYSA-N -1 1 377.296 2.790 20 10 GFCDMM O=C1CNC(=O)N1c1cc(NCc2cccc(Br)c2[O-])ccc1F ZINC000793357978 658389657 /nfs/dbraw/zinc/38/96/57/658389657.db2.gz LHGMCMDDUWEWMR-UHFFFAOYSA-N -1 1 394.200 2.962 20 10 GFCDMM O=S(=O)([N-]Cc1cc(Br)ccc1O)c1cc(F)ccc1F ZINC000796190614 658898918 /nfs/dbraw/zinc/89/89/18/658898918.db2.gz APDYOWIOROKWLU-UHFFFAOYSA-N -1 1 378.194 2.911 20 10 GFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000857265719 662070949 /nfs/dbraw/zinc/07/09/49/662070949.db2.gz YOOTYDUKAFYQBJ-SNVBAGLBSA-N -1 1 397.200 2.688 20 10 GFCDMM Cn1nc2c(c1C(=O)NCc1cccc(Br)c1[O-])CSCC2 ZINC000879774293 662939265 /nfs/dbraw/zinc/93/92/65/662939265.db2.gz GVBNQMIQRWTOME-UHFFFAOYSA-N -1 1 382.283 2.608 20 10 GFCDMM CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895083447 663498821 /nfs/dbraw/zinc/49/88/21/663498821.db2.gz KMTSOUAPYVMAJC-CYBMUJFWSA-N -1 1 399.182 2.794 20 10 GFCDMM COC(=O)[C@]1(OC)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895392060 663511697 /nfs/dbraw/zinc/51/16/97/663511697.db2.gz KNMPCBIMJKVQGQ-AWEZNQCLSA-N -1 1 378.650 2.572 20 10 GFCDMM CC(C)O[C@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCOC1 ZINC000925759545 664674372 /nfs/dbraw/zinc/67/43/72/664674372.db2.gz YRSQOYHYEFJFJG-INIZCTEOSA-N -1 1 387.274 2.538 20 10 GFCDMM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646723 551195334 /nfs/dbraw/zinc/19/53/34/551195334.db2.gz YNRRKTKBDPNPGO-JSGCOSHPSA-N -1 1 376.862 2.741 20 10 GFCDMM CCCS(=O)(=O)NC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177025190 552150200 /nfs/dbraw/zinc/15/02/00/552150200.db2.gz GOIPMOWLUFBLKH-UHFFFAOYSA-N -1 1 388.917 2.542 20 10 GFCDMM CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])[C@]12CCCO2 ZINC000277635578 563218071 /nfs/dbraw/zinc/21/80/71/563218071.db2.gz XJZRUCFBJAPEAG-CKEIUWERSA-N -1 1 399.285 2.681 20 10 GFCDMM CCCNC(=O)CSc1nnc(SCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000298138469 563345657 /nfs/dbraw/zinc/34/56/57/563345657.db2.gz ZXJOPVSBLFNNSU-UHFFFAOYSA-N -1 1 399.519 2.543 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000823503080 599312906 /nfs/dbraw/zinc/31/29/06/599312906.db2.gz AULOZNWIEYXLEF-MLPAPPSSSA-N -1 1 399.413 2.594 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000823503080 599312909 /nfs/dbraw/zinc/31/29/09/599312909.db2.gz AULOZNWIEYXLEF-MLPAPPSSSA-N -1 1 399.413 2.594 20 10 GFCDMM Cc1ccccc1OC[C@H](O)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738784794 600145240 /nfs/dbraw/zinc/14/52/40/600145240.db2.gz OUCPFZQAEULPNV-MRXNPFEDSA-N -1 1 379.840 2.681 20 10 GFCDMM Cc1ccccc1OC[C@H](O)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738784794 600145242 /nfs/dbraw/zinc/14/52/42/600145242.db2.gz OUCPFZQAEULPNV-MRXNPFEDSA-N -1 1 379.840 2.681 20 10 GFCDMM Oc1ccccc1CN(C[C@H]1CCCO1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000826511392 608235912 /nfs/dbraw/zinc/23/59/12/608235912.db2.gz NUHWFUOBXIXCNC-LLVKDONJSA-N -1 1 392.872 2.868 20 10 GFCDMM Oc1ccccc1CN(C[C@H]1CCCO1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000826511392 608235914 /nfs/dbraw/zinc/23/59/14/608235914.db2.gz NUHWFUOBXIXCNC-LLVKDONJSA-N -1 1 392.872 2.868 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000824983383 660406957 /nfs/dbraw/zinc/40/69/57/660406957.db2.gz VHTYYNOZTUEWHV-MRXNPFEDSA-N -1 1 388.327 2.864 20 10 GFCDMM C[C@H](COCC(F)(F)F)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277334587 655313564 /nfs/dbraw/zinc/31/35/64/655313564.db2.gz FIZZVQYNTQJKGB-MRVPVSSYSA-N -1 1 385.180 2.921 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCN(c2ccccn2)C1 ZINC000277356611 655314413 /nfs/dbraw/zinc/31/44/13/655314413.db2.gz GPKBYDIUGALOKC-ZDUSSCGKSA-N -1 1 391.269 2.628 20 10 GFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2n[nH]c3c2cccc3Cl)c1 ZINC000760782441 655991815 /nfs/dbraw/zinc/99/18/15/655991815.db2.gz PHWMLPSIUZNBIE-UHFFFAOYSA-N -1 1 380.813 2.546 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cc(F)cc(F)c1 ZINC000766201765 656164838 /nfs/dbraw/zinc/16/48/38/656164838.db2.gz UTRDWNWBPZPUHQ-UHFFFAOYSA-N -1 1 378.194 2.911 20 10 GFCDMM COc1cc(Cl)c(C)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769605553 656282174 /nfs/dbraw/zinc/28/21/74/656282174.db2.gz PUPQIMIJFJMDGP-UHFFFAOYSA-N -1 1 384.841 2.986 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(NC(=O)C2CC2)c1 ZINC000803213384 659558461 /nfs/dbraw/zinc/55/84/61/659558461.db2.gz CCGOKCKGCODXSO-UHFFFAOYSA-N -1 1 390.237 2.828 20 10 GFCDMM Cc1nc(Cl)ccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000805080167 659735564 /nfs/dbraw/zinc/73/55/64/659735564.db2.gz DQAVKOXZUJUPAF-UHFFFAOYSA-N -1 1 391.674 2.990 20 10 GFCDMM CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(O)cc3Cl)cc2C1 ZINC000849308941 661704722 /nfs/dbraw/zinc/70/47/22/661704722.db2.gz ZFRRWRGAMIYHJX-UHFFFAOYSA-N -1 1 386.882 2.813 20 10 GFCDMM Cc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c(Br)c1 ZINC000920975930 664534967 /nfs/dbraw/zinc/53/49/67/664534967.db2.gz DJVBMOAWZZFRAX-YRNVUSSQSA-N -1 1 396.310 2.953 20 10 GFCDMM Cn1nnc(NC(=O)NCc2cccc(Br)c2[O-])c1C(F)F ZINC000934813040 664923752 /nfs/dbraw/zinc/92/37/52/664923752.db2.gz AWAWGFIQSOCQJV-UHFFFAOYSA-N -1 1 376.161 2.543 20 10 GFCDMM COCCn1nc(C)c(NC(=O)NCc2cccc(Br)c2[O-])c1C ZINC000278117045 563241736 /nfs/dbraw/zinc/24/17/36/563241736.db2.gz RKEZUEWNGNKSAZ-UHFFFAOYSA-N -1 1 397.273 2.936 20 10 GFCDMM CCc1nnc(CNCc2cc(Br)cc(Br)c2[O-])[nH]1 ZINC000296134192 563276108 /nfs/dbraw/zinc/27/61/08/563276108.db2.gz URZYYMAHQQJSJH-UHFFFAOYSA-N -1 1 390.079 2.888 20 10 GFCDMM COc1cc(Br)cc(C[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)c1O ZINC000378352073 563503537 /nfs/dbraw/zinc/50/35/37/563503537.db2.gz XWDASQSEYDTHRV-AWEZNQCLSA-N -1 1 383.286 2.654 20 10 GFCDMM O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ncncc1Cl ZINC000363725284 563731843 /nfs/dbraw/zinc/73/18/43/563731843.db2.gz NFRDGMUURRGQSZ-CYBMUJFWSA-N -1 1 381.263 2.883 20 10 GFCDMM COc1cc(Br)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000365557191 563786821 /nfs/dbraw/zinc/78/68/21/563786821.db2.gz QXEGJDPSOPXXIT-XWCIJXRUSA-N -1 1 386.286 2.932 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCN1CC(F)(F)F ZINC000293389411 563810880 /nfs/dbraw/zinc/81/08/80/563810880.db2.gz RHEDPYJTBDIPRW-LLVKDONJSA-N -1 1 381.192 2.798 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528292718 564776044 /nfs/dbraw/zinc/77/60/44/564776044.db2.gz GKNAJSZQLWRCRE-CQSZACIVSA-N -1 1 382.302 2.971 20 10 GFCDMM CCN1CCN(c2ccc(CNC(=O)c3ccc(C(=O)[O-])cc3)cc2F)CC1 ZINC000737122385 600053601 /nfs/dbraw/zinc/05/36/01/600053601.db2.gz JAGBEQNMQGITLA-UHFFFAOYSA-N -1 1 385.439 2.596 20 10 GFCDMM COc1cccc(NC(=O)CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000832561920 601006742 /nfs/dbraw/zinc/00/67/42/601006742.db2.gz GDMZZBPLNNHBDH-UHFFFAOYSA-N -1 1 392.839 2.970 20 10 GFCDMM COc1cccc(NC(=O)CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000832561920 601006745 /nfs/dbraw/zinc/00/67/45/601006745.db2.gz GDMZZBPLNNHBDH-UHFFFAOYSA-N -1 1 392.839 2.970 20 10 GFCDMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 ZINC000832208639 601361452 /nfs/dbraw/zinc/36/14/52/601361452.db2.gz KKGJNDBZCLLZAM-UHFFFAOYSA-N -1 1 376.434 2.794 20 10 GFCDMM Cc1cc(C(=O)N2CCN(Cc3cccc(Br)c3[O-])[C@H](C)C2)n[nH]1 ZINC000835074710 660840220 /nfs/dbraw/zinc/84/02/20/660840220.db2.gz USKDYNCAUFKDKY-GFCCVEGCSA-N -1 1 393.285 2.533 20 10 GFCDMM O=C(CN1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1)N1CCCC1 ZINC000129303756 654862060 /nfs/dbraw/zinc/86/20/60/654862060.db2.gz YPEYVFMBJJSKLS-UHFFFAOYSA-N -1 1 386.323 2.829 20 10 GFCDMM CCSCc1ccnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000270697666 655053395 /nfs/dbraw/zinc/05/33/95/655053395.db2.gz ZLMAMMJKVLLPAZ-UHFFFAOYSA-N -1 1 381.479 2.664 20 10 GFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000157663433 655101516 /nfs/dbraw/zinc/10/15/16/655101516.db2.gz CCTHKJXUDFXOJX-UHFFFAOYSA-N -1 1 394.396 2.666 20 10 GFCDMM CCCC(=O)N1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277472030 655321395 /nfs/dbraw/zinc/32/13/95/655321395.db2.gz HYFFAUIVBQIIEU-ZDUSSCGKSA-N -1 1 383.286 2.810 20 10 GFCDMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cccc3nsnc32)c1F ZINC000576321679 655445432 /nfs/dbraw/zinc/44/54/32/655445432.db2.gz RYCVFAYFKHYGQY-UHFFFAOYSA-N -1 1 385.373 2.557 20 10 GFCDMM O=C(NCc1nnc(C2CC2)s1)NCc1cccc(Br)c1[O-] ZINC000840473289 661164412 /nfs/dbraw/zinc/16/44/12/661164412.db2.gz MTOSFQIADJHKGY-UHFFFAOYSA-N -1 1 383.271 2.883 20 10 GFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc3c(cccc3Cl)[nH]2)c1 ZINC000755864489 655890030 /nfs/dbraw/zinc/89/00/30/655890030.db2.gz VNXBMKUDIIGNEA-UHFFFAOYSA-N -1 1 380.813 2.546 20 10 GFCDMM CNC(=O)c1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764759918 656118894 /nfs/dbraw/zinc/11/88/94/656118894.db2.gz FAOZBAKKNORZEM-UHFFFAOYSA-N -1 1 392.253 2.514 20 10 GFCDMM Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765731963 656149263 /nfs/dbraw/zinc/14/92/63/656149263.db2.gz OAFXUYNHHPEMTF-UHFFFAOYSA-N -1 1 398.278 2.797 20 10 GFCDMM Cc1cccc(-n2cc(C(=O)NCc3cccc(Br)c3[O-])nn2)c1 ZINC000765766704 656151596 /nfs/dbraw/zinc/15/15/96/656151596.db2.gz AIRRHYNFQWKUIV-UHFFFAOYSA-N -1 1 387.237 2.974 20 10 GFCDMM Cc1cc(Cl)ncc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765931673 656155419 /nfs/dbraw/zinc/15/54/19/656155419.db2.gz QLKGVFLGOFFKAZ-UHFFFAOYSA-N -1 1 398.644 2.766 20 10 GFCDMM COc1cccc(CS(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766200728 656164691 /nfs/dbraw/zinc/16/46/91/656164691.db2.gz NBBDZWGPGRCDCF-UHFFFAOYSA-N -1 1 386.267 2.783 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)N3CCCC3)CC2)c1 ZINC000781894747 657087081 /nfs/dbraw/zinc/08/70/81/657087081.db2.gz MFTJGHPICHGEEZ-UHFFFAOYSA-N -1 1 382.302 2.797 20 10 GFCDMM COCc1nc([C@@H]2COCCN2Cc2cc(C)cc(Br)c2[O-])no1 ZINC000781920079 657089531 /nfs/dbraw/zinc/08/95/31/657089531.db2.gz JDVZYOXQOCHXLN-ZDUSSCGKSA-N -1 1 398.257 2.566 20 10 GFCDMM CCOC(=O)[C@@H](NCc1cc(C)cc(Br)c1[O-])C1CCOCC1 ZINC000789579820 657868922 /nfs/dbraw/zinc/86/89/22/657868922.db2.gz IOLBBTQVNNSQFC-HNNXBMFYSA-N -1 1 386.286 2.911 20 10 GFCDMM COc1ccc(CNC(=O)c2ccc(I)c([O-])c2)c(O)c1 ZINC000794373757 658535176 /nfs/dbraw/zinc/53/51/76/658535176.db2.gz MBRDTTKSZBTMHI-UHFFFAOYSA-N -1 1 399.184 2.641 20 10 GFCDMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cccc3nonc32)c(Cl)c1 ZINC000795622611 658836632 /nfs/dbraw/zinc/83/66/32/658836632.db2.gz ZRYFAVNSHDOZCJ-UHFFFAOYSA-N -1 1 381.797 2.772 20 10 GFCDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808113748 659877573 /nfs/dbraw/zinc/87/75/73/659877573.db2.gz IKKGDSJOYWIXFV-UHFFFAOYSA-N -1 1 390.732 2.592 20 10 GFCDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c(O)c1 ZINC000809841392 659948015 /nfs/dbraw/zinc/94/80/15/659948015.db2.gz HQDDGSGFIBCMLL-UHFFFAOYSA-N -1 1 390.776 2.580 20 10 GFCDMM COc1c([O-])c(CN[C@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000816627222 660163481 /nfs/dbraw/zinc/16/34/81/660163481.db2.gz IFOVCISRXQZPMQ-MRVPVSSYSA-N -1 1 383.202 2.712 20 10 GFCDMM CN(C)c1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000821589515 599378583 /nfs/dbraw/zinc/37/85/83/599378583.db2.gz RAZLASFWHSAKEF-NTEUORMPSA-N -1 1 398.473 2.932 20 10 GFCDMM CN(C)c1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1 ZINC000821589515 599378585 /nfs/dbraw/zinc/37/85/85/599378585.db2.gz RAZLASFWHSAKEF-NTEUORMPSA-N -1 1 398.473 2.932 20 10 GFCDMM C[C@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CC[C@H]1NC(=O)[O-] ZINC000739189191 603400108 /nfs/dbraw/zinc/40/01/08/603400108.db2.gz ZLFBXCBDZLQROD-SUMWQHHRSA-N -1 1 384.432 2.807 20 10 GFCDMM O=C([O-])NCCCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000834235237 605927000 /nfs/dbraw/zinc/92/70/00/605927000.db2.gz HUMXACIVVHIXLY-HNNXBMFYSA-N -1 1 383.876 2.564 20 10 GFCDMM O=C([O-])NCCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000834235237 605927004 /nfs/dbraw/zinc/92/70/04/605927004.db2.gz HUMXACIVVHIXLY-HNNXBMFYSA-N -1 1 383.876 2.564 20 10 GFCDMM CC(C)(C)N1C[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])CC1=O ZINC000823142458 660363069 /nfs/dbraw/zinc/36/30/69/660363069.db2.gz SNZCJTLVNXWDMQ-LLVKDONJSA-N -1 1 398.301 2.601 20 10 GFCDMM COc1cccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 ZINC000727354335 655544412 /nfs/dbraw/zinc/54/44/12/655544412.db2.gz ATCOPFIZBPAASE-UHFFFAOYSA-N -1 1 390.870 2.521 20 10 GFCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1nnc2ccccn21 ZINC000764761423 656118935 /nfs/dbraw/zinc/11/89/35/656118935.db2.gz MYPMOHRACMODPE-JTQLQIEISA-N -1 1 390.241 2.758 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCN1Cc1ccccn1 ZINC000765731460 656149328 /nfs/dbraw/zinc/14/93/28/656149328.db2.gz JGJXBNFZCIKWKX-INIZCTEOSA-N -1 1 390.281 2.831 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC(c2ccccc2)=NO1 ZINC000765736595 656149640 /nfs/dbraw/zinc/14/96/40/656149640.db2.gz PLKOUGYHRUFGIR-HNNXBMFYSA-N -1 1 375.222 2.964 20 10 GFCDMM O=C(CNC(=O)c1cccc(Cl)c1)NCc1cccc(Br)c1[O-] ZINC000765765867 656151651 /nfs/dbraw/zinc/15/16/51/656151651.db2.gz TYLGOOIMAUVTDE-UHFFFAOYSA-N -1 1 397.656 2.854 20 10 GFCDMM O=S(=O)(Cc1noc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000766199518 656164567 /nfs/dbraw/zinc/16/45/67/656164567.db2.gz DQAPPNXZQRKRHZ-UHFFFAOYSA-N -1 1 397.250 2.916 20 10 GFCDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766202307 656164797 /nfs/dbraw/zinc/16/47/97/656164797.db2.gz ZQBMYUBQKNRFML-UHFFFAOYSA-N -1 1 387.211 2.541 20 10 GFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000780372776 657001748 /nfs/dbraw/zinc/00/17/48/657001748.db2.gz BYJUUZCOQKMBJH-UHFFFAOYSA-N -1 1 386.520 2.971 20 10 GFCDMM Cc1cc(Br)cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1N ZINC000783643658 657249936 /nfs/dbraw/zinc/24/99/36/657249936.db2.gz OYYVVBVJKDXJJN-UHFFFAOYSA-N -1 1 380.194 2.791 20 10 GFCDMM O=C(CCNC(=O)c1c([O-])c(O)ccc1F)Nc1ccc(Br)cc1 ZINC000789969527 657904226 /nfs/dbraw/zinc/90/42/26/657904226.db2.gz WTMVCLFYBUXXAA-UHFFFAOYSA-N -1 1 397.200 2.758 20 10 GFCDMM COC(=O)[C@H](C[C@H]1CCCOC1)NCc1cc(C)cc(Br)c1[O-] ZINC000862515921 662289584 /nfs/dbraw/zinc/28/95/84/662289584.db2.gz GBRXTBMXLLJWSN-DOMZBBRYSA-N -1 1 386.286 2.911 20 10 GFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000890757741 663311818 /nfs/dbraw/zinc/31/18/18/663311818.db2.gz JYCDUKZKMXFIFW-LLVKDONJSA-N -1 1 380.750 2.825 20 10 GFCDMM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)cc2C)c1OC ZINC000737873840 600679105 /nfs/dbraw/zinc/67/91/05/600679105.db2.gz SKGBFZRJIUZDSI-DAXSKMNVSA-N -1 1 393.417 2.616 20 10 GFCDMM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000826800640 604914520 /nfs/dbraw/zinc/91/45/20/604914520.db2.gz PEZOIYHXTIKAMV-CVEARBPZSA-N -1 1 397.903 2.809 20 10 GFCDMM NC(=O)COc1cccc2c1CCCN2Cc1cccc(Br)c1[O-] ZINC000824932866 660405571 /nfs/dbraw/zinc/40/55/71/660405571.db2.gz YUCVAOBKUOTULE-UHFFFAOYSA-N -1 1 391.265 2.972 20 10 GFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(Br)c2)c1 ZINC000093900250 655021930 /nfs/dbraw/zinc/02/19/30/655021930.db2.gz LTIPYDANWNPTSC-UHFFFAOYSA-N -1 1 385.239 2.779 20 10 GFCDMM CC(C)(C)OC(=O)N1CCc2nc(C=C3SC(=S)[N-]C3=O)sc2C1 ZINC000840713492 661177877 /nfs/dbraw/zinc/17/78/77/661177877.db2.gz SHLGXRCONXCVPD-RMKNXTFCSA-N -1 1 383.520 2.925 20 10 GFCDMM O=S(=O)([N-]CCCSc1nccs1)c1ccc(Br)o1 ZINC000759027881 655945429 /nfs/dbraw/zinc/94/54/29/655945429.db2.gz ZGOJTZIOVFQUBF-UHFFFAOYSA-N -1 1 383.314 2.959 20 10 GFCDMM CN(C)c1nc(CNC(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000764790264 656119870 /nfs/dbraw/zinc/11/98/70/656119870.db2.gz IWCHKGCEOISHQJ-UHFFFAOYSA-N -1 1 385.287 2.677 20 10 GFCDMM CS(=O)(=O)c1ccccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765226023 656137969 /nfs/dbraw/zinc/13/79/69/656137969.db2.gz HQPYVUPWOBNRFZ-UHFFFAOYSA-N -1 1 399.266 2.880 20 10 GFCDMM COc1c(NC(=O)NCc2cccc(Br)c2[O-])cccc1C(N)=O ZINC000765341906 656140708 /nfs/dbraw/zinc/14/07/08/656140708.db2.gz KHYRPAODYWJJGX-UHFFFAOYSA-N -1 1 394.225 2.584 20 10 GFCDMM O=C(NCc1ccc(CO)c(F)c1)NCc1cccc(Br)c1[O-] ZINC000765482260 656143955 /nfs/dbraw/zinc/14/39/55/656143955.db2.gz WEJIYTKHMWFGKZ-UHFFFAOYSA-N -1 1 383.217 2.786 20 10 GFCDMM C[S@](=O)c1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765541999 656145308 /nfs/dbraw/zinc/14/53/08/656145308.db2.gz YGQBFMZAZVPXMJ-QHCPKHFHSA-N -1 1 397.294 2.892 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1Cc2cccc(O)c2C1 ZINC000765564026 656145646 /nfs/dbraw/zinc/14/56/46/656145646.db2.gz NXJZTMJLHBFJQE-LBPRGKRZSA-N -1 1 377.238 2.827 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnn(-c2ccc(F)cc2)n1 ZINC000765726628 656148917 /nfs/dbraw/zinc/14/89/17/656148917.db2.gz IDHOXNWMWMALSW-UHFFFAOYSA-N -1 1 391.200 2.805 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cn(Cc2ccccc2)nn1 ZINC000765726544 656149054 /nfs/dbraw/zinc/14/90/54/656149054.db2.gz HMVSMMDGVRNPFO-UHFFFAOYSA-N -1 1 387.237 2.725 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccccc1Cn1cncn1 ZINC000765728707 656149236 /nfs/dbraw/zinc/14/92/36/656149236.db2.gz KVSYAANQOJTWHB-UHFFFAOYSA-N -1 1 387.237 2.725 20 10 GFCDMM CCC(CC)[C@@H](C(=O)NCc1cccc(Br)c1[O-])N1CCOCC1 ZINC000765730599 656149371 /nfs/dbraw/zinc/14/93/71/656149371.db2.gz DOPPXQJOVLCBDN-INIZCTEOSA-N -1 1 399.329 2.908 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc(C(F)(F)F)nc1 ZINC000765763574 656151347 /nfs/dbraw/zinc/15/13/47/656151347.db2.gz DPXYRHZPBPVFLG-UHFFFAOYSA-N -1 1 376.132 2.894 20 10 GFCDMM Cc1nn(C)c2nc(C)c(C(=O)NCc3cccc(Br)c3[O-])cc12 ZINC000765766204 656151625 /nfs/dbraw/zinc/15/16/25/656151625.db2.gz VYZDMOZOAXEJNE-UHFFFAOYSA-N -1 1 389.253 2.983 20 10 GFCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000768502508 656240443 /nfs/dbraw/zinc/24/04/43/656240443.db2.gz BSPRPWDVUDKAMO-UHFFFAOYSA-N -1 1 398.238 2.846 20 10 GFCDMM CN(C)c1ccc(Cl)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769734274 656288581 /nfs/dbraw/zinc/28/85/81/656288581.db2.gz HXCMZHGRHNLGDP-UHFFFAOYSA-N -1 1 383.857 2.735 20 10 GFCDMM COc1cc(SC)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000773266996 656407157 /nfs/dbraw/zinc/40/71/57/656407157.db2.gz VJKDZRZFUFXDMK-UHFFFAOYSA-N -1 1 382.463 2.747 20 10 GFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000789961207 657902677 /nfs/dbraw/zinc/90/26/77/657902677.db2.gz XLDQSYJGNCTANV-UHFFFAOYSA-N -1 1 386.210 2.901 20 10 GFCDMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000792702980 658313357 /nfs/dbraw/zinc/31/33/57/658313357.db2.gz MAVUHJZYMHMKDF-UHFFFAOYSA-N -1 1 383.447 2.551 20 10 GFCDMM COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000808113945 659877756 /nfs/dbraw/zinc/87/77/56/659877756.db2.gz NNLGUVVNZULQOY-UHFFFAOYSA-N -1 1 377.752 2.911 20 10 GFCDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])C(=O)OC(C)(C)C ZINC000847428918 661592081 /nfs/dbraw/zinc/59/20/81/661592081.db2.gz YDPRNKSWQVTOTI-JTQLQIEISA-N -1 1 387.274 2.932 20 10 GFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1[O-] ZINC000852341191 661861677 /nfs/dbraw/zinc/86/16/77/661861677.db2.gz HHODKHZFPNMYMY-STQMWFEESA-N -1 1 399.818 2.656 20 10 GFCDMM O=C1N[C@@H](c2cc(O)cc(Br)c2[O-])N2CCc3ccccc3[C@@H]12 ZINC000877856257 662885129 /nfs/dbraw/zinc/88/51/29/662885129.db2.gz QFLIGXXKRCOLQT-GOEBONIOSA-N -1 1 375.222 2.588 20 10 GFCDMM CC[C@@H](NCc1nnc2c(=O)n(C)ccn12)c1ccc(Cl)c(Cl)c1[O-] ZINC000883335401 663053547 /nfs/dbraw/zinc/05/35/47/663053547.db2.gz SEKCVPAJPKFFOB-LLVKDONJSA-N -1 1 382.251 2.681 20 10 GFCDMM CS(=O)(=O)CC[C@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000890760064 663311978 /nfs/dbraw/zinc/31/19/78/663311978.db2.gz ZPYKBBSTWIKICU-HNNXBMFYSA-N -1 1 381.881 2.880 20 10 GFCDMM C[C@]1(CO)CN(Cc2cc(Cl)cc(Br)c2[O-])C[C@@]1(C)CO ZINC000895401800 663511943 /nfs/dbraw/zinc/51/19/43/663511943.db2.gz CDAORBNJTPYFAR-GASCZTMLSA-N -1 1 378.694 2.621 20 10 GFCDMM O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc([O-])c(O)c1 ZINC000916608705 664466635 /nfs/dbraw/zinc/46/66/35/664466635.db2.gz FRPQSWIQCZYGHD-UHFFFAOYSA-N -1 1 396.149 2.808 20 10 GFCDMM CCc1nn(C)c(CC)c1CC(=O)NCc1cccc(Br)c1[O-] ZINC000277632345 563218174 /nfs/dbraw/zinc/21/81/74/563218174.db2.gz XIKFBRSUMFSWPA-UHFFFAOYSA-N -1 1 380.286 2.872 20 10 GFCDMM O=C(NCCCOC1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000277715830 563222941 /nfs/dbraw/zinc/22/29/41/563222941.db2.gz JOYYZRWEYQDREG-UHFFFAOYSA-N -1 1 387.274 2.540 20 10 GFCDMM COCCCn1ccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000278121039 563241495 /nfs/dbraw/zinc/24/14/95/563241495.db2.gz RRZSDWMKKKNOAH-UHFFFAOYSA-N -1 1 383.246 2.709 20 10 GFCDMM O=C1[N-]C(=S)SC1=Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000738315883 598547093 /nfs/dbraw/zinc/54/70/93/598547093.db2.gz NDRIJQWASNMSGH-DHDCSXOGSA-N -1 1 395.469 2.935 20 10 GFCDMM Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832925765 601101898 /nfs/dbraw/zinc/10/18/98/601101898.db2.gz WAUWARAJUOHYBJ-OAHLLOKOSA-N -1 1 375.494 2.777 20 10 GFCDMM CN(C)Cc1ccsc1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000828046629 603541325 /nfs/dbraw/zinc/54/13/25/603541325.db2.gz PJHOCOTVHYSVFK-MRXNPFEDSA-N -1 1 390.509 2.614 20 10 GFCDMM CS(=O)(=O)Nc1cccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000833737595 604637521 /nfs/dbraw/zinc/63/75/21/604637521.db2.gz HHXULKMROWPIFW-UHFFFAOYSA-N -1 1 398.868 2.504 20 10 GFCDMM CS(=O)(=O)Nc1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000833737595 604637525 /nfs/dbraw/zinc/63/75/25/604637525.db2.gz HHXULKMROWPIFW-UHFFFAOYSA-N -1 1 398.868 2.504 20 10 GFCDMM CN(CCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(=O)[O-] ZINC000830759324 604746527 /nfs/dbraw/zinc/74/65/27/604746527.db2.gz SUBMCFZGXLNKQG-OAHLLOKOSA-N -1 1 383.876 2.516 20 10 GFCDMM COc1ccc(O)c([C@@H](C)NCc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)c1 ZINC000833733645 605127092 /nfs/dbraw/zinc/12/70/92/605127092.db2.gz MIUGDAMIXMSIRP-SECBINFHSA-N -1 1 389.433 2.556 20 10 GFCDMM CN(C)c1ccc(CN(Cc2ccco2)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825879036 608431508 /nfs/dbraw/zinc/43/15/08/608431508.db2.gz GBAVAFKXLBHMIC-UHFFFAOYSA-N -1 1 376.424 2.523 20 10 GFCDMM CN(C)c1ccc(CN(Cc2ccco2)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825879036 608431510 /nfs/dbraw/zinc/43/15/10/608431510.db2.gz GBAVAFKXLBHMIC-UHFFFAOYSA-N -1 1 376.424 2.523 20 10 GFCDMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)ccc1O ZINC000826271284 609156420 /nfs/dbraw/zinc/15/64/20/609156420.db2.gz LILMIRZCPBTSJZ-UHFFFAOYSA-N -1 1 399.354 2.700 20 10 GFCDMM CC(C)(C)[S@@](=O)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277293688 655311481 /nfs/dbraw/zinc/31/14/81/655311481.db2.gz BRHJIVRBUYVVMQ-NRFANRHFSA-N -1 1 377.304 2.501 20 10 GFCDMM CC(C)c1cc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])no1 ZINC000277473172 655321389 /nfs/dbraw/zinc/32/13/89/655321389.db2.gz JYNDEOHHMOKJEN-UHFFFAOYSA-N -1 1 382.214 2.521 20 10 GFCDMM CCc1nsc(N2CCN(Cc3cc(Cl)cc(C(C)=O)c3[O-])CC2)n1 ZINC000750054587 655810818 /nfs/dbraw/zinc/81/08/18/655810818.db2.gz SYRCXPHGVOQRKY-UHFFFAOYSA-N -1 1 380.901 2.984 20 10 GFCDMM C[C@H](Nc1cnn(CC(=O)N(C)C)c1)c1cc(Br)c(F)cc1[O-] ZINC000757640494 655914067 /nfs/dbraw/zinc/91/40/67/655914067.db2.gz XHADSNFIJPPHSB-VIFPVBQESA-N -1 1 385.237 2.752 20 10 GFCDMM NC(=O)c1cc(NC(=O)NCc2cccc(Br)c2[O-])ccc1F ZINC000765234511 656138225 /nfs/dbraw/zinc/13/82/25/656138225.db2.gz LXJINDKOXHBLKB-UHFFFAOYSA-N -1 1 382.189 2.714 20 10 GFCDMM Cn1c(=O)oc2cc(NC(=O)NCc3cccc(Br)c3[O-])ccc21 ZINC000765280005 656139569 /nfs/dbraw/zinc/13/95/69/656139569.db2.gz ZNOWLIHBAIUTCK-UHFFFAOYSA-N -1 1 392.209 2.921 20 10 GFCDMM Cc1cc(F)ccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765932163 656155564 /nfs/dbraw/zinc/15/55/64/656155564.db2.gz WYXBZLVKLZSAEB-UHFFFAOYSA-N -1 1 381.201 2.857 20 10 GFCDMM COCc1ccccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766201412 656164791 /nfs/dbraw/zinc/16/47/91/656164791.db2.gz SVPCSIVPIGSHNK-UHFFFAOYSA-N -1 1 386.267 2.780 20 10 GFCDMM COC(=O)[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775650045 656660378 /nfs/dbraw/zinc/66/03/78/656660378.db2.gz OJWJJQGDQWTFFB-MRVPVSSYSA-N -1 1 393.075 2.912 20 10 GFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000776750424 656792190 /nfs/dbraw/zinc/79/21/90/656792190.db2.gz CZOKAOFVFQTTBG-UHFFFAOYSA-N -1 1 386.769 2.541 20 10 GFCDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000777648715 656831111 /nfs/dbraw/zinc/83/11/11/656831111.db2.gz WOOXBCFJPZHQJD-UHFFFAOYSA-N -1 1 376.749 2.902 20 10 GFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1NC(C)=O ZINC000792702189 658312766 /nfs/dbraw/zinc/31/27/66/658312766.db2.gz PQXRCAHJEASOPH-UHFFFAOYSA-N -1 1 382.463 2.882 20 10 GFCDMM COc1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)ccc1O ZINC000797820060 659054733 /nfs/dbraw/zinc/05/47/33/659054733.db2.gz DMZXGIJJMLYUKH-UHFFFAOYSA-N -1 1 378.328 2.538 20 10 GFCDMM O=C(COC(=O)c1cc(Br)ncc1Cl)c1ccc([O-])c(O)c1 ZINC000805624457 659802375 /nfs/dbraw/zinc/80/23/75/659802375.db2.gz HOYZTKPHYMPILF-UHFFFAOYSA-N -1 1 386.585 2.948 20 10 GFCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000807838643 659866885 /nfs/dbraw/zinc/86/68/85/659866885.db2.gz MOSKBQQLIYNERV-UHFFFAOYSA-N -1 1 380.187 2.972 20 10 GFCDMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc(F)c1F ZINC000808114667 659878092 /nfs/dbraw/zinc/87/80/92/659878092.db2.gz DHDHASMRZIEPNS-UHFFFAOYSA-N -1 1 381.715 2.962 20 10 GFCDMM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809696722 659936471 /nfs/dbraw/zinc/93/64/71/659936471.db2.gz PJZDFFWOPHLCKO-ZDUSSCGKSA-N -1 1 382.722 2.881 20 10 GFCDMM C[C@H](NCc1nn(C)cc1I)c1c([O-])cccc1F ZINC000886620294 663114954 /nfs/dbraw/zinc/11/49/54/663114954.db2.gz GRCLCZMJRZZKBH-QMMMGPOBSA-N -1 1 375.185 2.720 20 10 GFCDMM CC(C)CN1C(=O)C(=CNc2cccc(Br)c2)C(=O)[N-]C1=S ZINC000920976160 664535013 /nfs/dbraw/zinc/53/50/13/664535013.db2.gz IDWDDEBOMAFJSZ-KPKJPENVSA-N -1 1 382.283 2.644 20 10 GFCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1C1CCOCC1 ZINC000277587573 563215296 /nfs/dbraw/zinc/21/52/96/563215296.db2.gz SCOPHTNTUICZKQ-UHFFFAOYSA-N -1 1 394.269 2.941 20 10 GFCDMM CSCc1noc(CCC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000277646685 563218885 /nfs/dbraw/zinc/21/88/85/563218885.db2.gz YKVLBIZGNHDKME-UHFFFAOYSA-N -1 1 386.271 2.650 20 10 GFCDMM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277694988 563221607 /nfs/dbraw/zinc/22/16/07/563221607.db2.gz HGMPSKJDEXOZBK-YPMHNXCESA-N -1 1 398.301 2.601 20 10 GFCDMM COc1ccc(OC)c([C@H](O)C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000738047480 600314824 /nfs/dbraw/zinc/31/48/24/600314824.db2.gz FBTDQCHMZWHSOF-QGZVFWFLSA-N -1 1 395.839 2.683 20 10 GFCDMM COc1ccc(OC)c([C@H](O)C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000738047480 600314826 /nfs/dbraw/zinc/31/48/26/600314826.db2.gz FBTDQCHMZWHSOF-QGZVFWFLSA-N -1 1 395.839 2.683 20 10 GFCDMM COc1ccc2c(c1)CCCCN2CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826213165 608259464 /nfs/dbraw/zinc/25/94/64/608259464.db2.gz NBGUVGWQZRPZNF-UHFFFAOYSA-N -1 1 396.451 2.867 20 10 GFCDMM COC1([C@H](C)NC(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000817178485 660184969 /nfs/dbraw/zinc/18/49/69/660184969.db2.gz XMFICVLWHVAWNR-NSHDSACASA-N -1 1 387.274 2.538 20 10 GFCDMM O=S(=O)(CCCC1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000827524195 660500673 /nfs/dbraw/zinc/50/06/73/660500673.db2.gz ZJGCKXAGYDEXDL-UHFFFAOYSA-N -1 1 392.315 2.781 20 10 GFCDMM CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])[C@@H]1SC ZINC000828103250 660531795 /nfs/dbraw/zinc/53/17/95/660531795.db2.gz FVUXSJKTLRJVLF-BZPMIXESSA-N -1 1 389.315 2.863 20 10 GFCDMM CO[C@@](C)(C(=O)NCc1cccc(Br)c1[O-])C(=O)OC(C)(C)C ZINC000834475812 660821845 /nfs/dbraw/zinc/82/18/45/660821845.db2.gz DUXKOOKBOCWVGX-INIZCTEOSA-N -1 1 388.258 2.518 20 10 GFCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1F ZINC000055583540 654778214 /nfs/dbraw/zinc/77/82/14/654778214.db2.gz CWGVBLAOARSOIP-UHFFFAOYSA-N -1 1 392.861 2.960 20 10 GFCDMM CCCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277424879 655318771 /nfs/dbraw/zinc/31/87/71/655318771.db2.gz DCGMZFPGQZMXKE-AWEZNQCLSA-N -1 1 383.286 2.952 20 10 GFCDMM O=C(Cc1cc(Br)ccc1F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784282247 657299885 /nfs/dbraw/zinc/29/98/85/657299885.db2.gz KWPZPEYPXVJAPH-UHFFFAOYSA-N -1 1 383.169 2.968 20 10 GFCDMM O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CS(=O)(=O)Cc3ccccc32)c1[O-] ZINC000857061922 662061994 /nfs/dbraw/zinc/06/19/94/662061994.db2.gz WTUSKBNBRKEQPK-AWEZNQCLSA-N -1 1 382.825 2.713 20 10 GFCDMM COCCNS(=O)(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000858338691 662109239 /nfs/dbraw/zinc/10/92/39/662109239.db2.gz KNFFFKDMXORRDK-UHFFFAOYSA-N -1 1 388.848 2.722 20 10 GFCDMM O=C(CS(=O)(=O)CCCc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC000890757235 663311861 /nfs/dbraw/zinc/31/18/61/663311861.db2.gz ANWUTUWSHXXEHU-UHFFFAOYSA-N -1 1 381.881 2.709 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1 ZINC000895198978 663502867 /nfs/dbraw/zinc/50/28/67/663502867.db2.gz BWJPAMXYOLAESB-ZDUSSCGKSA-N -1 1 389.315 2.682 20 10 GFCDMM COCc1ncc2c(n1)CCN(Cc1cc(C)cc(Br)c1[O-])C2 ZINC000895416046 663512990 /nfs/dbraw/zinc/51/29/90/663512990.db2.gz WVGSFOXZNMIYAH-UHFFFAOYSA-N -1 1 378.270 2.958 20 10 GFCDMM O=C1CCc2cc([N-]S(=O)(=O)c3cccc4nsnc43)c(F)cc2N1 ZINC000192732894 552972473 /nfs/dbraw/zinc/97/24/73/552972473.db2.gz CEKCOPHFXWBTOW-UHFFFAOYSA-N -1 1 378.410 2.516 20 10 GFCDMM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277694986 563221322 /nfs/dbraw/zinc/22/13/22/563221322.db2.gz HGMPSKJDEXOZBK-WCQYABFASA-N -1 1 398.301 2.601 20 10 GFCDMM CN(C)c1cc2c(nn1)CCN(Cc1c(O)c(C(=O)[O-])cc3ccccc31)C2 ZINC000737373684 600706330 /nfs/dbraw/zinc/70/63/30/600706330.db2.gz FLXYGDYOLPGJAA-UHFFFAOYSA-N -1 1 378.432 2.658 20 10 GFCDMM CCC[C@](C)(NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000829193696 601007754 /nfs/dbraw/zinc/00/77/54/601007754.db2.gz DWIRKUMDMCUGMH-QFIPXVFZSA-N -1 1 394.427 2.634 20 10 GFCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000822210542 606339257 /nfs/dbraw/zinc/33/92/57/606339257.db2.gz GXKGFLPVAQOCCK-UHFFFAOYSA-N -1 1 399.354 2.700 20 10 GFCDMM O=S(=O)([N-]Cc1ccc(N2CCSCC2)cc1)c1cccc(F)c1F ZINC000101572868 655044663 /nfs/dbraw/zinc/04/46/63/655044663.db2.gz UEMYMONFLBUJCI-UHFFFAOYSA-N -1 1 384.473 2.997 20 10 GFCDMM Cc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c(C)c(C)c1O ZINC000274791799 655201807 /nfs/dbraw/zinc/20/18/07/655201807.db2.gz MNJVKWXLTONVDE-UHFFFAOYSA-N -1 1 387.454 2.661 20 10 GFCDMM CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277424881 655318686 /nfs/dbraw/zinc/31/86/86/655318686.db2.gz DCGMZFPGQZMXKE-CQSZACIVSA-N -1 1 383.286 2.952 20 10 GFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)cc1 ZINC000735266711 655643450 /nfs/dbraw/zinc/64/34/50/655643450.db2.gz DLHMYBKDXVIGMT-UHFFFAOYSA-N -1 1 389.886 2.606 20 10 GFCDMM COc1cccc(CNC(=O)c2ccc(I)c([O-])c2)c1O ZINC000760918692 655994699 /nfs/dbraw/zinc/99/46/99/655994699.db2.gz PJYWNLSMTHFSMY-UHFFFAOYSA-N -1 1 399.184 2.641 20 10 GFCDMM C[S@](=O)Cc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765737178 656149758 /nfs/dbraw/zinc/14/97/58/656149758.db2.gz RTIWQMSFAKOWBW-QFIPXVFZSA-N -1 1 382.279 2.963 20 10 GFCDMM Nc1c(C(=O)NCc2cccc(Br)c2[O-])cc(F)cc1[N+](=O)[O-] ZINC000765753599 656150718 /nfs/dbraw/zinc/15/07/18/656150718.db2.gz OFWAWSHDPKMVBH-UHFFFAOYSA-N -1 1 384.161 2.714 20 10 GFCDMM O=C(C[C@@H]1Oc2ccccc2NC1=O)NCc1cccc(Br)c1[O-] ZINC000765770399 656151820 /nfs/dbraw/zinc/15/18/20/656151820.db2.gz QGEYSFXQKFTIIB-AWEZNQCLSA-N -1 1 391.221 2.561 20 10 GFCDMM O=C([O-])c1cc(NS(=O)(=O)c2cc(F)ccc2Br)ccc1O ZINC000771901803 656365326 /nfs/dbraw/zinc/36/53/26/656365326.db2.gz IPCQNSNWPYDKHS-UHFFFAOYSA-N -1 1 390.186 2.793 20 10 GFCDMM O=C(COC(=O)c1n[nH]c(C2CC2)c1Br)c1ccc([O-])c(O)c1 ZINC000784230925 657296859 /nfs/dbraw/zinc/29/68/59/657296859.db2.gz NSQWQDYQTCRYJZ-UHFFFAOYSA-N -1 1 381.182 2.501 20 10 GFCDMM O=C(COC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc([O-])c(O)c1 ZINC000784260159 657298619 /nfs/dbraw/zinc/29/86/19/657298619.db2.gz AEMIQNCWTRLFDH-UHFFFAOYSA-N -1 1 396.149 2.808 20 10 GFCDMM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000801965380 659437833 /nfs/dbraw/zinc/43/78/33/659437833.db2.gz NBXYSKSIRFRXKF-UHFFFAOYSA-N -1 1 384.161 2.714 20 10 GFCDMM CN(C/C=C/C(=O)NCc1cccc(Br)c1[O-])CC(F)(F)F ZINC000816496508 660158893 /nfs/dbraw/zinc/15/88/93/660158893.db2.gz MLSGCRYUSOKAIH-ZZXKWVIFSA-N -1 1 381.192 2.821 20 10 GFCDMM Cn1cc(C(F)F)c(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000869111415 662629413 /nfs/dbraw/zinc/62/94/13/662629413.db2.gz FVDGYCOFRZPZRJ-UHFFFAOYSA-N -1 1 389.200 2.825 20 10 GFCDMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3cc(Br)ccc3[O-])C2)cn1 ZINC000874049858 662821469 /nfs/dbraw/zinc/82/14/69/662821469.db2.gz JUWQEKSOHDTRIE-WCQYABFASA-N -1 1 394.269 2.579 20 10 GFCDMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(Br)ccc3[O-])C2)cn1 ZINC000874049858 662821470 /nfs/dbraw/zinc/82/14/70/662821470.db2.gz JUWQEKSOHDTRIE-WCQYABFASA-N -1 1 394.269 2.579 20 10 GFCDMM CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895083448 663498709 /nfs/dbraw/zinc/49/87/09/663498709.db2.gz KMTSOUAPYVMAJC-ZDUSSCGKSA-N -1 1 399.182 2.794 20 10 GFCDMM O=S(=O)(C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)N1CCCCC1 ZINC000897273318 663597736 /nfs/dbraw/zinc/59/77/36/663597736.db2.gz NPIGJANLEHLZOX-UHFFFAOYSA-N -1 1 390.908 2.965 20 10 GFCDMM CN(CC(=O)NC1CC1)Cc1cc(Br)cc(Br)c1[O-] ZINC000179606681 552197677 /nfs/dbraw/zinc/19/76/77/552197677.db2.gz BEMPFSMEYHJPGG-UHFFFAOYSA-N -1 1 392.091 2.628 20 10 GFCDMM C[C@@H](CC(=O)NCc1cccc(Br)c1[O-])NC(=O)C1CCCC1 ZINC000277593726 563215254 /nfs/dbraw/zinc/21/52/54/563215254.db2.gz SRGHOGKNEJXMCM-NSHDSACASA-N -1 1 383.286 2.856 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000286719245 563572153 /nfs/dbraw/zinc/57/21/53/563572153.db2.gz DNTWMNVCQWFUAZ-GOEBONIOSA-N -1 1 392.253 2.879 20 10 GFCDMM CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)cc3nc[nH]c32)NC(=O)[O-])cc1 ZINC000828063110 603029075 /nfs/dbraw/zinc/02/90/75/603029075.db2.gz AAQBRVJQQAZREC-MRXNPFEDSA-N -1 1 385.399 2.507 20 10 GFCDMM Oc1ccccc1CN(C[C@H]1CCCO1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826511508 608235752 /nfs/dbraw/zinc/23/57/52/608235752.db2.gz SPVJTOIPUFRTFU-CYBMUJFWSA-N -1 1 386.843 2.806 20 10 GFCDMM Oc1ccccc1CN(C[C@H]1CCCO1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826511508 608235754 /nfs/dbraw/zinc/23/57/54/608235754.db2.gz SPVJTOIPUFRTFU-CYBMUJFWSA-N -1 1 386.843 2.806 20 10 GFCDMM COC(=O)c1n[nH]c2c1CN(Cc1cc(C)cc(Br)c1[O-])CC2 ZINC000825016562 660407390 /nfs/dbraw/zinc/40/73/90/660407390.db2.gz DZEMBKJINXXKGS-UHFFFAOYSA-N -1 1 380.242 2.531 20 10 GFCDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000023398016 654537985 /nfs/dbraw/zinc/53/79/85/654537985.db2.gz DCLPQOWENDMVNP-UHFFFAOYSA-N -1 1 394.396 2.878 20 10 GFCDMM CN(CC(=O)NCc1cccc(Br)c1[O-])c1ccc(Cl)cn1 ZINC000765727196 656148925 /nfs/dbraw/zinc/14/89/25/656148925.db2.gz KOIDGHSFHSPPPO-UHFFFAOYSA-N -1 1 384.661 2.956 20 10 GFCDMM CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765736086 656149482 /nfs/dbraw/zinc/14/94/82/656149482.db2.gz KYBSPVPTLWKQAB-YBEGLDIGSA-N -1 1 389.249 2.948 20 10 GFCDMM Cn1cc(-c2ncc(C(=O)NCc3cccc(Br)c3[O-])s2)cn1 ZINC000765747460 656150302 /nfs/dbraw/zinc/15/03/02/656150302.db2.gz NWZGPZLJEYYLHE-UHFFFAOYSA-N -1 1 393.266 2.942 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cn(Cc2cccs2)nn1 ZINC000765747483 656150322 /nfs/dbraw/zinc/15/03/22/656150322.db2.gz ONWPAHDYTDAEAG-UHFFFAOYSA-N -1 1 393.266 2.786 20 10 GFCDMM CC(C)(C)OC(=O)N1CC(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765753033 656150705 /nfs/dbraw/zinc/15/07/05/656150705.db2.gz MOXIKHQKEPLBAC-UHFFFAOYSA-N -1 1 385.258 2.638 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cc(F)ccc1F ZINC000765903148 656154388 /nfs/dbraw/zinc/15/43/88/656154388.db2.gz GBYZZDYPFVTQPE-UHFFFAOYSA-N -1 1 385.164 2.688 20 10 GFCDMM COc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1F ZINC000765925074 656154891 /nfs/dbraw/zinc/15/48/91/656154891.db2.gz DERMSLSRZMGWLU-UHFFFAOYSA-N -1 1 397.200 2.557 20 10 GFCDMM CN1C(=O)Cc2cc(NC(=O)NCc3cccc(Br)c3[O-])ccc21 ZINC000788708632 657776903 /nfs/dbraw/zinc/77/69/03/657776903.db2.gz YBVYAZAAMJZDCD-UHFFFAOYSA-N -1 1 390.237 2.995 20 10 GFCDMM O=S(=O)([N-]Cc1cc(Br)ccc1O)c1cccc(F)c1F ZINC000796191628 658899842 /nfs/dbraw/zinc/89/98/42/658899842.db2.gz YCZNHSBVDRKUCW-UHFFFAOYSA-N -1 1 378.194 2.911 20 10 GFCDMM O=C(NCCCCN1CCOCC1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000804955757 659702831 /nfs/dbraw/zinc/70/28/31/659702831.db2.gz WZQKKAQEFBVSAJ-UHFFFAOYSA-N -1 1 376.284 2.611 20 10 GFCDMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808113511 659877353 /nfs/dbraw/zinc/87/73/53/659877353.db2.gz BMTGEEFBLSYGQZ-UHFFFAOYSA-N -1 1 395.195 2.821 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cccc2c1OCC(=O)N2 ZINC000810255592 659968069 /nfs/dbraw/zinc/96/80/69/659968069.db2.gz PNCMIQJLXIKULI-UHFFFAOYSA-N -1 1 392.209 2.807 20 10 GFCDMM CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NCc1cccc(Cl)c1[O-] ZINC000813331356 660051176 /nfs/dbraw/zinc/05/11/76/660051176.db2.gz KJFPUYWXKMJQIX-UHFFFAOYSA-N -1 1 383.901 2.974 20 10 GFCDMM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1ncccc1Br ZINC000849371418 661710404 /nfs/dbraw/zinc/71/04/04/661710404.db2.gz VTZQRKFVFLQHCP-UHFFFAOYSA-N -1 1 396.310 2.923 20 10 GFCDMM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1cc(Cl)cc(Cl)c1O ZINC000867270389 662537704 /nfs/dbraw/zinc/53/77/04/662537704.db2.gz NVHMQQQCJAWLPK-UHFFFAOYSA-N -1 1 375.299 2.541 20 10 GFCDMM COc1ccc(Br)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000916590920 664465442 /nfs/dbraw/zinc/46/54/42/664465442.db2.gz MAZYRAKTTCMDCL-UHFFFAOYSA-N -1 1 381.178 2.909 20 10 GFCDMM O=C(COC(=O)c1cccc(I)c1)c1ccc([O-])c(O)c1 ZINC000916589632 664465623 /nfs/dbraw/zinc/46/56/23/664465623.db2.gz ZJQDSFPWRTUHTG-UHFFFAOYSA-N -1 1 398.152 2.742 20 10 GFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1Br ZINC000918142316 664495704 /nfs/dbraw/zinc/49/57/04/664495704.db2.gz HTWYBPAOZDOKNQ-UHFFFAOYSA-N -1 1 386.223 2.742 20 10 GFCDMM CC1(C)O[C@@H]2C[C@@H](NC(=O)NCc3cccc(Br)c3[O-])C[C@@H]2O1 ZINC000927366452 664708543 /nfs/dbraw/zinc/70/85/43/664708543.db2.gz XILIFSWCDLFNLN-UOJUARBOSA-N -1 1 385.258 2.636 20 10 GFCDMM COCCOc1cncc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000283889688 563458317 /nfs/dbraw/zinc/45/83/17/563458317.db2.gz WZNQXOSCYFBCSR-UHFFFAOYSA-N -1 1 381.226 2.505 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccc(Cl)nc1 ZINC000823503543 599312591 /nfs/dbraw/zinc/31/25/91/599312591.db2.gz GSCVQYOLDKINMZ-BJMVGYQFSA-N -1 1 390.837 2.914 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1ccc(Cl)nc1 ZINC000823503543 599312594 /nfs/dbraw/zinc/31/25/94/599312594.db2.gz GSCVQYOLDKINMZ-BJMVGYQFSA-N -1 1 390.837 2.914 20 10 GFCDMM COc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000821831794 599379906 /nfs/dbraw/zinc/37/99/06/599379906.db2.gz MTZBVAODLFURTK-JYRVWZFOSA-N -1 1 385.430 2.874 20 10 GFCDMM COc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1 ZINC000821831794 599379909 /nfs/dbraw/zinc/37/99/09/599379909.db2.gz MTZBVAODLFURTK-JYRVWZFOSA-N -1 1 385.430 2.874 20 10 GFCDMM COc1ccc(N2CCCN(Cn3nc(C(=O)[O-])c4ccccc43)CC2)cc1 ZINC000832383807 601397487 /nfs/dbraw/zinc/39/74/87/601397487.db2.gz NXSPFNOONNUBFM-UHFFFAOYSA-N -1 1 380.448 2.913 20 10 GFCDMM O=C([O-])c1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000833328267 604916418 /nfs/dbraw/zinc/91/64/18/604916418.db2.gz GLYPGLZEWLGRBR-CQSZACIVSA-N -1 1 389.839 2.533 20 10 GFCDMM CCn1cc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)cn1 ZINC000821565554 606393814 /nfs/dbraw/zinc/39/38/14/606393814.db2.gz YOBLGOOOSIGKTP-VZUCSPMQSA-N -1 1 389.491 2.550 20 10 GFCDMM COc1ccc(CNS(C)(=O)=O)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC000824935236 660405722 /nfs/dbraw/zinc/40/57/22/660405722.db2.gz FQVFWTMEORFTBS-UHFFFAOYSA-N -1 1 388.848 2.855 20 10 GFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1C ZINC000727357753 655544471 /nfs/dbraw/zinc/54/44/71/655544471.db2.gz QYOARCYZDISPJJ-UHFFFAOYSA-N -1 1 384.479 2.566 20 10 GFCDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000755406463 655883015 /nfs/dbraw/zinc/88/30/15/655883015.db2.gz MLJUIKZOWCMPIC-UHFFFAOYSA-N -1 1 378.834 2.651 20 10 GFCDMM NC(=O)c1ccc(F)c(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765253002 656138770 /nfs/dbraw/zinc/13/87/70/656138770.db2.gz RDELAJLIWFIVHH-UHFFFAOYSA-N -1 1 382.189 2.714 20 10 GFCDMM Cn1cc(C(=O)NCc2cccc(Br)c2[O-])c2ccccc2c1=O ZINC000765733361 656149515 /nfs/dbraw/zinc/14/95/15/656149515.db2.gz XSYPTRSDADKNNQ-UHFFFAOYSA-N -1 1 387.233 2.937 20 10 GFCDMM COc1cccc(COCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765765103 656151302 /nfs/dbraw/zinc/15/13/02/656151302.db2.gz NJJZHWJQCHXMJG-UHFFFAOYSA-N -1 1 380.238 2.996 20 10 GFCDMM CSc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765924997 656154983 /nfs/dbraw/zinc/15/49/83/656154983.db2.gz CGZQLGQNNGDKAN-UHFFFAOYSA-N -1 1 396.266 2.527 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccc(Cl)nc1 ZINC000766198886 656164391 /nfs/dbraw/zinc/16/43/91/656164391.db2.gz AHXJFTKSCDZTTR-UHFFFAOYSA-N -1 1 377.647 2.682 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cccnc1Cl ZINC000766199840 656164683 /nfs/dbraw/zinc/16/46/83/656164683.db2.gz JSQNXJLNWSXDJD-UHFFFAOYSA-N -1 1 377.647 2.682 20 10 GFCDMM COC(=O)[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775650047 656660005 /nfs/dbraw/zinc/66/00/05/656660005.db2.gz OJWJJQGDQWTFFB-QMMMGPOBSA-N -1 1 393.075 2.912 20 10 GFCDMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)ccc1O ZINC000776748036 656791301 /nfs/dbraw/zinc/79/13/01/656791301.db2.gz SJRNHBBTIOZPCV-UHFFFAOYSA-N -1 1 389.882 2.699 20 10 GFCDMM CSc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000792702139 658312875 /nfs/dbraw/zinc/31/28/75/658312875.db2.gz NLVAMJQEUWRBOY-UHFFFAOYSA-N -1 1 384.391 2.521 20 10 GFCDMM COc1ccc(CNC(=O)c2cc(I)ccc2[O-])c(O)c1 ZINC000794377345 658535231 /nfs/dbraw/zinc/53/52/31/658535231.db2.gz HBZKMMWGRLWEFY-UHFFFAOYSA-N -1 1 399.184 2.641 20 10 GFCDMM C[S@](=O)c1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000798002679 659070817 /nfs/dbraw/zinc/07/08/17/659070817.db2.gz OROFOXMBZZSJRS-QFIPXVFZSA-N -1 1 382.279 2.751 20 10 GFCDMM Cc1ccc(-n2cnnc2)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000798002677 659070832 /nfs/dbraw/zinc/07/08/32/659070832.db2.gz ORGXCVNDCHAXJQ-UHFFFAOYSA-N -1 1 387.237 2.974 20 10 GFCDMM O=C(c1cc(NCc2cccc(Br)c2[O-])ccn1)N1CCCC1 ZINC000882268510 663023026 /nfs/dbraw/zinc/02/30/26/663023026.db2.gz ZFRDIPCEJIKQDU-UHFFFAOYSA-N -1 1 376.254 2.820 20 10 GFCDMM O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757530 663311829 /nfs/dbraw/zinc/31/18/29/663311829.db2.gz GXINVHACCAJCDV-HNNXBMFYSA-N -1 1 378.881 2.957 20 10 GFCDMM [O-]c1c(F)cc(Br)cc1CN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000894570465 663469570 /nfs/dbraw/zinc/46/95/70/663469570.db2.gz WRCOWDAACXOSBO-HNNXBMFYSA-N -1 1 384.249 2.963 20 10 GFCDMM CC(C)c1n[nH]c(C(=O)NCc2cccc(Br)c2[O-])c1[N+](=O)[O-] ZINC000277549028 563212971 /nfs/dbraw/zinc/21/29/71/563212971.db2.gz OBRODDFESINULC-UHFFFAOYSA-N -1 1 383.202 2.839 20 10 GFCDMM CN(C)c1cccc(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000277709396 563222144 /nfs/dbraw/zinc/22/21/44/563222144.db2.gz IWDNDWFHVKDOGI-UHFFFAOYSA-N -1 1 379.258 2.615 20 10 GFCDMM COc1cc(Br)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000365557189 563786811 /nfs/dbraw/zinc/78/68/11/563786811.db2.gz QXEGJDPSOPXXIT-NVGCLXPQSA-N -1 1 386.286 2.932 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1CCc1cccs1 ZINC000823503357 599312438 /nfs/dbraw/zinc/31/24/38/599312438.db2.gz DJSFOYOMRASWCT-XYOKQWHBSA-N -1 1 389.487 2.965 20 10 GFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1CCc1cccs1 ZINC000823503357 599312441 /nfs/dbraw/zinc/31/24/41/599312441.db2.gz DJSFOYOMRASWCT-XYOKQWHBSA-N -1 1 389.487 2.965 20 10 GFCDMM COc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000821831795 599379961 /nfs/dbraw/zinc/37/99/61/599379961.db2.gz MTZBVAODLFURTK-MDWZMJQESA-N -1 1 385.430 2.874 20 10 GFCDMM COc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1 ZINC000821831795 599379963 /nfs/dbraw/zinc/37/99/63/599379963.db2.gz MTZBVAODLFURTK-MDWZMJQESA-N -1 1 385.430 2.874 20 10 GFCDMM O=C([O-])/C=C\c1ccc(N2CCC(CCN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000739625261 599707237 /nfs/dbraw/zinc/70/72/37/599707237.db2.gz OCRZYYURIQXIEP-RQOWECAXSA-N -1 1 389.452 2.631 20 10 GFCDMM O=C([O-])C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739793723 600144729 /nfs/dbraw/zinc/14/47/29/600144729.db2.gz NWOFGYKESMLLJL-UHFFFAOYSA-N -1 1 380.784 2.919 20 10 GFCDMM O=C([O-])C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739793723 600144732 /nfs/dbraw/zinc/14/47/32/600144732.db2.gz NWOFGYKESMLLJL-UHFFFAOYSA-N -1 1 380.784 2.919 20 10 GFCDMM Cc1cccc(C)c1OC[C@H](O)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738690397 600314749 /nfs/dbraw/zinc/31/47/49/600314749.db2.gz SLVARBPCFXORHM-QGZVFWFLSA-N -1 1 393.867 2.989 20 10 GFCDMM Cc1cccc(C)c1OC[C@H](O)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738690397 600314753 /nfs/dbraw/zinc/31/47/53/600314753.db2.gz SLVARBPCFXORHM-QGZVFWFLSA-N -1 1 393.867 2.989 20 10 GFCDMM O=C([O-])CCCOc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000739687004 600489751 /nfs/dbraw/zinc/48/97/51/600489751.db2.gz LEOMOFZLOFHBIT-UHFFFAOYSA-N -1 1 393.446 2.736 20 10 GFCDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(N2CCCCC2)cc1 ZINC000823624764 606704006 /nfs/dbraw/zinc/70/40/06/606704006.db2.gz IQSONJCQNNHQAY-UHFFFAOYSA-N -1 1 380.412 2.772 20 10 GFCDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(N2CCCCC2)cc1 ZINC000823624764 606704009 /nfs/dbraw/zinc/70/40/09/606704009.db2.gz IQSONJCQNNHQAY-UHFFFAOYSA-N -1 1 380.412 2.772 20 10 GFCDMM [O-]c1c(Br)cc(Br)cc1CN1CCc2n[nH]nc2C1 ZINC000827885300 660521447 /nfs/dbraw/zinc/52/14/47/660521447.db2.gz WIFVCUJQCHIWHH-UHFFFAOYSA-N -1 1 388.063 2.594 20 10 GFCDMM O=S(=O)([N-]Cc1ccccc1O)c1cc(Br)cnc1Cl ZINC000158587136 655107610 /nfs/dbraw/zinc/10/76/10/655107610.db2.gz RMEIKZCZKRTAPD-UHFFFAOYSA-N -1 1 377.647 2.682 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1Cc2ccccc2O1 ZINC000764762144 656118848 /nfs/dbraw/zinc/11/88/48/656118848.db2.gz OALJKZKVZBRXNN-CYBMUJFWSA-N -1 1 377.238 2.958 20 10 GFCDMM Cc1cc(C(N)=O)ccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765235188 656138272 /nfs/dbraw/zinc/13/82/72/656138272.db2.gz QVFDVOWNPIXJGF-UHFFFAOYSA-N -1 1 378.226 2.884 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1Cc2cccc(O)c2C1 ZINC000765564024 656145605 /nfs/dbraw/zinc/14/56/05/656145605.db2.gz NXJZTMJLHBFJQE-GFCCVEGCSA-N -1 1 377.238 2.827 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2c([nH]c1=O)CCCC2=O ZINC000765736537 656149580 /nfs/dbraw/zinc/14/95/80/656149580.db2.gz NPBOZYGRODKYIJ-UHFFFAOYSA-N -1 1 391.221 2.704 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(c2ccccc2)=NO1 ZINC000765736598 656149591 /nfs/dbraw/zinc/14/95/91/656149591.db2.gz PLKOUGYHRUFGIR-OAHLLOKOSA-N -1 1 375.222 2.964 20 10 GFCDMM Cc1nn(C)c2ncc(C(=O)NCc3cccc(Br)c3[O-])cc12 ZINC000765750417 656150491 /nfs/dbraw/zinc/15/04/91/656150491.db2.gz GHZNNJFDDQBNHG-UHFFFAOYSA-N -1 1 375.226 2.675 20 10 GFCDMM O=C(CSc1nnc2ccccn21)NCc1cccc(Br)c1[O-] ZINC000765748068 656150574 /nfs/dbraw/zinc/15/05/74/656150574.db2.gz UZAAXHBWKVEHDJ-UHFFFAOYSA-N -1 1 393.266 2.606 20 10 GFCDMM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765753646 656150728 /nfs/dbraw/zinc/15/07/28/656150728.db2.gz OTFYZHBMAHZZNM-CYBMUJFWSA-N -1 1 383.286 2.808 20 10 GFCDMM Cn1cc(C(=O)NCc2cccc(Br)c2[O-])c(-c2cccnc2)n1 ZINC000765752009 656150777 /nfs/dbraw/zinc/15/07/77/656150777.db2.gz VQKBFUMFNKXSSU-UHFFFAOYSA-N -1 1 387.237 2.880 20 10 GFCDMM CN(CC(=O)NCc1cccc(Br)c1[O-])C(=O)c1cccs1 ZINC000765769218 656151798 /nfs/dbraw/zinc/15/17/98/656151798.db2.gz KJBBTTNVKRQBBM-UHFFFAOYSA-N -1 1 383.267 2.605 20 10 GFCDMM O=[N+]([O-])c1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000766200483 656164660 /nfs/dbraw/zinc/16/46/60/656164660.db2.gz LSFBPTLPLBRQME-UHFFFAOYSA-N -1 1 393.240 2.603 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cncc(Cl)c1 ZINC000766201310 656164847 /nfs/dbraw/zinc/16/48/47/656164847.db2.gz QVCRIVOSCGNJSH-UHFFFAOYSA-N -1 1 377.647 2.682 20 10 GFCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc2ncsc2c1 ZINC000775271792 656620394 /nfs/dbraw/zinc/62/03/94/656620394.db2.gz RBOPYTFSXSHKJV-UHFFFAOYSA-N -1 1 375.475 2.934 20 10 GFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1C(F)(F)F ZINC000790050154 657920408 /nfs/dbraw/zinc/92/04/08/657920408.db2.gz MLHVCFFILKTEMN-UHFFFAOYSA-N -1 1 375.324 2.998 20 10 GFCDMM O=C(NCc1nccc(C(F)F)n1)NCc1cccc(Br)c1[O-] ZINC000807610422 659860039 /nfs/dbraw/zinc/86/00/39/659860039.db2.gz ULAMSOFOKVJMCL-UHFFFAOYSA-N -1 1 387.184 2.882 20 10 GFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000857265718 662070994 /nfs/dbraw/zinc/07/09/94/662070994.db2.gz YOOTYDUKAFYQBJ-JTQLQIEISA-N -1 1 397.200 2.688 20 10 GFCDMM CSC[C@H](C)C(=O)N1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890759401 663311966 /nfs/dbraw/zinc/31/19/66/663311966.db2.gz KVIRXRFJKFLOJY-LBPRGKRZSA-N -1 1 384.929 2.900 20 10 GFCDMM CC(C)CN1C(=O)C(=CNc2ccccc2Br)C(=O)[N-]C1=S ZINC000920976084 664535055 /nfs/dbraw/zinc/53/50/55/664535055.db2.gz GCEYBIXAGGNGBV-JXMROGBWSA-N -1 1 382.283 2.644 20 10 GFCDMM Cc1ccccc1OC[C@@H](O)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738784793 600144071 /nfs/dbraw/zinc/14/40/71/600144071.db2.gz OUCPFZQAEULPNV-INIZCTEOSA-N -1 1 379.840 2.681 20 10 GFCDMM Cc1ccccc1OC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738784793 600144073 /nfs/dbraw/zinc/14/40/73/600144073.db2.gz OUCPFZQAEULPNV-INIZCTEOSA-N -1 1 379.840 2.681 20 10 GFCDMM COC(=O)c1cc2ccccc2c(C[N@H+](CCC(=O)[O-])C2CCOCC2)c1[O-] ZINC000831353069 600719432 /nfs/dbraw/zinc/71/94/32/600719432.db2.gz ANOGXVPNNHCASL-UHFFFAOYSA-N -1 1 387.432 2.788 20 10 GFCDMM COC(=O)c1cc2ccccc2c(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1[O-] ZINC000831353069 600719433 /nfs/dbraw/zinc/71/94/33/600719433.db2.gz ANOGXVPNNHCASL-UHFFFAOYSA-N -1 1 387.432 2.788 20 10 GFCDMM COc1ccc(O)c(CN2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1 ZINC000833733818 605248494 /nfs/dbraw/zinc/24/84/94/605248494.db2.gz RKWGNFAOZYBTML-IBGZPJMESA-N -1 1 390.867 2.998 20 10 GFCDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000028257057 654571703 /nfs/dbraw/zinc/57/17/03/654571703.db2.gz ZTYCFIYKFKSOBJ-UHFFFAOYSA-N -1 1 396.824 2.791 20 10 GFCDMM O=C1CCc2cc(F)c([N-]S(=O)(=O)c3cccc4nsnc43)cc2N1 ZINC000032097833 654599879 /nfs/dbraw/zinc/59/98/79/654599879.db2.gz JXKDLVNTKVECQW-UHFFFAOYSA-N -1 1 378.410 2.516 20 10 GFCDMM COc1cccc(CNC(=O)c2cc(I)ccc2[O-])c1O ZINC000171487704 655151771 /nfs/dbraw/zinc/15/17/71/655151771.db2.gz WBTYJWTVPYRWBG-UHFFFAOYSA-N -1 1 399.184 2.641 20 10 GFCDMM CN(Cc1ccccc1O)C(=O)c1cc(I)ccc1[O-] ZINC000193944810 655413371 /nfs/dbraw/zinc/41/33/71/655413371.db2.gz VJZKXDANUAKVOO-UHFFFAOYSA-N -1 1 383.185 2.975 20 10 GFCDMM CCOC(=O)C1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000764782668 656119526 /nfs/dbraw/zinc/11/95/26/656119526.db2.gz HFEYLURVKPURJK-UHFFFAOYSA-N -1 1 385.258 2.687 20 10 GFCDMM Cc1nn(C)c(C)c1CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764806826 656120325 /nfs/dbraw/zinc/12/03/25/656120325.db2.gz RKAKQHAEJZFAMN-UHFFFAOYSA-N -1 1 395.301 2.937 20 10 GFCDMM CCC(CC)(CNC(=O)NCc1cccc(Br)c1[O-])C(=O)OC ZINC000764802088 656120337 /nfs/dbraw/zinc/12/03/37/656120337.db2.gz YGSQTOMTKGUBJZ-UHFFFAOYSA-N -1 1 387.274 2.933 20 10 GFCDMM C[S@@](=O)c1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765541998 656145331 /nfs/dbraw/zinc/14/53/31/656145331.db2.gz YGQBFMZAZVPXMJ-HSZRJFAPSA-N -1 1 397.294 2.892 20 10 GFCDMM COc1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1[N+](=O)[O-] ZINC000765731025 656149273 /nfs/dbraw/zinc/14/92/73/656149273.db2.gz FQNMVEXZBLFMRH-UHFFFAOYSA-N -1 1 395.209 2.930 20 10 GFCDMM CCOC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])nc1C ZINC000765737184 656149830 /nfs/dbraw/zinc/14/98/30/656149830.db2.gz RVYGPPMGQXZAKC-UHFFFAOYSA-N -1 1 393.237 2.965 20 10 GFCDMM O=C(COc1cccc([N+](=O)[O-])c1)NCc1cccc(Br)c1[O-] ZINC000765748602 656150457 /nfs/dbraw/zinc/15/04/57/656150457.db2.gz XRSAOWKZGXCUAG-UHFFFAOYSA-N -1 1 381.182 2.758 20 10 GFCDMM C[C@H](NC(=O)c1cccs1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765753747 656150793 /nfs/dbraw/zinc/15/07/93/656150793.db2.gz PRBZXTGSXSRATN-VIFPVBQESA-N -1 1 383.267 2.651 20 10 GFCDMM CC(C)(C)OC(=O)CSCC(=O)NCc1cccc(Br)c1[O-] ZINC000765767286 656151592 /nfs/dbraw/zinc/15/15/92/656151592.db2.gz ZPZAOQKQOHBBHK-UHFFFAOYSA-N -1 1 390.299 2.846 20 10 GFCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1-n1cncn1 ZINC000765770879 656151897 /nfs/dbraw/zinc/15/18/97/656151897.db2.gz RRHVUGUQRTWSLZ-UHFFFAOYSA-N -1 1 387.237 2.974 20 10 GFCDMM COc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c(F)c1 ZINC000766200846 656164817 /nfs/dbraw/zinc/16/48/17/656164817.db2.gz OQMGKADVPWFCEK-UHFFFAOYSA-N -1 1 390.230 2.781 20 10 GFCDMM CC(=O)c1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766201962 656164878 /nfs/dbraw/zinc/16/48/78/656164878.db2.gz YBSRNJGEYSGGTD-UHFFFAOYSA-N -1 1 384.251 2.836 20 10 GFCDMM COc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000766201839 656164903 /nfs/dbraw/zinc/16/49/03/656164903.db2.gz VNCRVLSRKZULOX-UHFFFAOYSA-N -1 1 386.267 2.950 20 10 GFCDMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000776749023 656791620 /nfs/dbraw/zinc/79/16/20/656791620.db2.gz UTZNTRWFEXARRM-UHFFFAOYSA-N -1 1 375.855 2.558 20 10 GFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000792702324 658312826 /nfs/dbraw/zinc/31/28/26/658312826.db2.gz QOMDOCPARUFKFU-UHFFFAOYSA-N -1 1 378.475 2.807 20 10 GFCDMM CN(C)C(=O)c1ccnc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000794273724 658510422 /nfs/dbraw/zinc/51/04/22/658510422.db2.gz ACTWROUEQYBTJR-UHFFFAOYSA-N -1 1 393.241 2.573 20 10 GFCDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115921 659878310 /nfs/dbraw/zinc/87/83/10/659878310.db2.gz ZFBDUSOXVVOERH-UHFFFAOYSA-N -1 1 376.749 2.902 20 10 GFCDMM O=C1CN(Cc2cccc(NCc3cccc(Br)c3[O-])c2)CCN1 ZINC000812796167 660034756 /nfs/dbraw/zinc/03/47/56/660034756.db2.gz KXTJJOHBHKUDIS-UHFFFAOYSA-N -1 1 390.281 2.699 20 10 GFCDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])C(=O)OC(C)(C)C ZINC000847428919 661592317 /nfs/dbraw/zinc/59/23/17/661592317.db2.gz YDPRNKSWQVTOTI-SNVBAGLBSA-N -1 1 387.274 2.932 20 10 GFCDMM COC(=O)C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000899112277 663676292 /nfs/dbraw/zinc/67/62/92/663676292.db2.gz AGPBXJCQHXKVAM-PWSUYJOCSA-N -1 1 385.258 2.686 20 10 GFCDMM O=C(COc1ccc(F)cc1Br)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916593988 664465846 /nfs/dbraw/zinc/46/58/46/664465846.db2.gz GTRLZMZKIKBICD-UHFFFAOYSA-N -1 1 399.168 2.804 20 10 GFCDMM Cn1nc(CNC(=O)NCc2cccc(Br)c2[O-])cc1C1CC1 ZINC000927657795 664713660 /nfs/dbraw/zinc/71/36/60/664713660.db2.gz JNCUDLJQOPNLQU-UHFFFAOYSA-N -1 1 379.258 2.765 20 10 GFCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])nn1C1CCOCC1 ZINC000529172102 564824111 /nfs/dbraw/zinc/82/41/11/564824111.db2.gz OKHBHCFMSBFLIQ-UHFFFAOYSA-N -1 1 394.269 2.941 20 10 GFCDMM O=C([O-])[C@@H]1CCCN1Cc1cc(Br)cc(Br)c1O ZINC000833772439 605230400 /nfs/dbraw/zinc/23/04/00/605230400.db2.gz MSHNDXYABCJDSV-JTQLQIEISA-N -1 1 379.048 2.966 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000834475823 660821872 /nfs/dbraw/zinc/82/18/72/660821872.db2.gz FEXMMHQMHRGQLK-IAGOWNOFSA-N -1 1 392.249 2.928 20 10 GFCDMM CN(Cc1cc(Br)cc(Br)c1[O-])[C@@H]1CCN(C)C1=O ZINC000271785534 655094770 /nfs/dbraw/zinc/09/47/70/655094770.db2.gz IGCSFEMELAJQHB-LLVKDONJSA-N -1 1 392.091 2.580 20 10 GFCDMM O=S(=O)(Nc1ccc(OCC(F)(F)F)nc1)c1cc(F)cc(F)c1[O-] ZINC000753016081 655849357 /nfs/dbraw/zinc/84/93/57/655849357.db2.gz GGMZVTCFHIUHNP-UHFFFAOYSA-N -1 1 384.282 2.807 20 10 GFCDMM COc1ccc(Br)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000765082151 656130035 /nfs/dbraw/zinc/13/00/35/656130035.db2.gz WSZPSPTUKVRWMM-UHFFFAOYSA-N -1 1 384.211 2.795 20 10 GFCDMM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000765090454 656131230 /nfs/dbraw/zinc/13/12/30/656131230.db2.gz SPMPCVXQVANAPL-HSZRJFAPSA-N -1 1 385.854 2.556 20 10 GFCDMM Cn1cc(-c2cncc(C(=O)NCc3cccc(Br)c3[O-])c2)cn1 ZINC000765736098 656149453 /nfs/dbraw/zinc/14/94/53/656149453.db2.gz LKVKYWHZDHBFOR-UHFFFAOYSA-N -1 1 387.237 2.880 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000765737162 656149824 /nfs/dbraw/zinc/14/98/24/656149824.db2.gz REEOIJHVMTUAJC-UHFFFAOYSA-N -1 1 391.181 2.869 20 10 GFCDMM O=C(CCNC(=O)c1ccc(F)cc1)NCc1cccc(Br)c1[O-] ZINC000765768156 656151968 /nfs/dbraw/zinc/15/19/68/656151968.db2.gz HMQSVAQQOQDTDL-UHFFFAOYSA-N -1 1 395.228 2.730 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc(F)cc1F ZINC000765928431 656155189 /nfs/dbraw/zinc/15/51/89/656155189.db2.gz YXMQGYBXKJISTO-UHFFFAOYSA-N -1 1 385.164 2.688 20 10 GFCDMM COc1nc(C)c(Br)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784824578 657327675 /nfs/dbraw/zinc/32/76/75/657327675.db2.gz HOWDKDGLKNXNPY-UHFFFAOYSA-N -1 1 396.193 2.612 20 10 GFCDMM C[C@@H](NCc1nnc2n1CCOC2)c1cc(Br)cc(Cl)c1[O-] ZINC000790740508 658017020 /nfs/dbraw/zinc/01/70/20/658017020.db2.gz YFVVDZCIEVNVLS-MRVPVSSYSA-N -1 1 387.665 2.781 20 10 GFCDMM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)cc1 ZINC000808110477 659877060 /nfs/dbraw/zinc/87/70/60/659877060.db2.gz PDHORRMBGREQOV-UHFFFAOYSA-N -1 1 383.491 2.939 20 10 GFCDMM O=C1[N-]C(=S)S/C1=C\c1cc(I)cc([N+](=O)[O-])c1 ZINC000811626834 660013748 /nfs/dbraw/zinc/01/37/48/660013748.db2.gz MGHYGRXHGSYIOA-BAQGIRSFSA-N -1 1 392.199 2.688 20 10 GFCDMM O=C(NCc1cccc(Cl)c1[O-])NCC1(n2cc(Br)cn2)CC1 ZINC000896696913 663572167 /nfs/dbraw/zinc/57/21/67/663572167.db2.gz NAONRVWWTBDERI-UHFFFAOYSA-N -1 1 399.676 2.993 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@]12C[C@H]1COC21CCC1 ZINC000898680868 663659662 /nfs/dbraw/zinc/65/96/62/663659662.db2.gz RYABSFMUBQXQGT-BLLLJJGKSA-N -1 1 381.270 2.913 20 10 GFCDMM CCc1nc(C)c(CC(=O)NCc2cccc(Br)c2[O-])c(C)n1 ZINC000907757633 664059331 /nfs/dbraw/zinc/05/93/31/664059331.db2.gz HWDPBSASMOBSMY-UHFFFAOYSA-N -1 1 378.270 2.983 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cnn(C2CCC2)c1 ZINC000915011551 664418932 /nfs/dbraw/zinc/41/89/32/664418932.db2.gz DPXXFESYEHNKKG-UHFFFAOYSA-N -1 1 386.271 2.555 20 10 GFCDMM O=C(COC(=O)c1ccc(I)cc1)c1ccc([O-])c(O)c1 ZINC000916590028 664465586 /nfs/dbraw/zinc/46/55/86/664465586.db2.gz ZSXSAEKRNFMIEY-UHFFFAOYSA-N -1 1 398.152 2.742 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1COC2(CCCC2)O1 ZINC000277604987 563215979 /nfs/dbraw/zinc/21/59/79/563215979.db2.gz VMWYTZLLMNGTRU-GFCCVEGCSA-N -1 1 385.258 2.640 20 10 GFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(N)=O)CC[C@H]2C(F)(F)F)c1[O-] ZINC000372013504 563294379 /nfs/dbraw/zinc/29/43/79/563294379.db2.gz NJTVXHOCSQCMEF-ZANVPECISA-N -1 1 378.778 2.876 20 10 GFCDMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cccc3nsnc32)c1F ZINC000526039015 564717387 /nfs/dbraw/zinc/71/73/87/564717387.db2.gz QSPSXOSWGKYAGU-UHFFFAOYSA-N -1 1 385.373 2.557 20 10 GFCDMM COc1ccc(-n2c(C)cc(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)c2C)cc1 ZINC000832138686 601096568 /nfs/dbraw/zinc/09/65/68/601096568.db2.gz NJQLKGQCVSOJHR-HNNXBMFYSA-N -1 1 399.491 2.724 20 10 GFCDMM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1OC ZINC000831972621 604829120 /nfs/dbraw/zinc/82/91/20/604829120.db2.gz MZZSQYGZPVTKFK-DAXSKMNVSA-N -1 1 393.417 2.616 20 10 GFCDMM CCn1cc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)cn1 ZINC000821565555 606393745 /nfs/dbraw/zinc/39/37/45/606393745.db2.gz YOBLGOOOSIGKTP-WZUFQYTHSA-N -1 1 389.491 2.550 20 10 GFCDMM CSC1(CNC(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000277359537 655314638 /nfs/dbraw/zinc/31/46/38/655314638.db2.gz BIPRCYLCMMRSPM-UHFFFAOYSA-N -1 1 389.315 2.866 20 10 GFCDMM Cc1c([C@H]2OCC[C@@H]2C(=O)NCc2cccc(Br)c2[O-])cnn1C ZINC000277415566 655318277 /nfs/dbraw/zinc/31/82/77/655318277.db2.gz CMVRWDFPOKUWKV-LRDDRELGSA-N -1 1 394.269 2.591 20 10 GFCDMM COCCOc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765243616 656138657 /nfs/dbraw/zinc/13/86/57/656138657.db2.gz QSNCKPHSMYYJJU-UHFFFAOYSA-N -1 1 396.241 2.897 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cnn(CC(F)F)c1 ZINC000765292226 656139845 /nfs/dbraw/zinc/13/98/45/656139845.db2.gz AWINRFZWIDUJAJ-UHFFFAOYSA-N -1 1 375.173 2.938 20 10 GFCDMM O=C(NCc1cn2ccsc2n1)NCc1cccc(Br)c1[O-] ZINC000765451855 656143313 /nfs/dbraw/zinc/14/33/13/656143313.db2.gz CWBUJMYJBNVADW-UHFFFAOYSA-N -1 1 381.255 2.863 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1COc2ccccc2C1 ZINC000765465538 656143732 /nfs/dbraw/zinc/14/37/32/656143732.db2.gz RVAKRULAPCIFBJ-ZDUSSCGKSA-N -1 1 377.238 2.958 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1COc2ccccc2C1 ZINC000765465535 656143747 /nfs/dbraw/zinc/14/37/47/656143747.db2.gz RVAKRULAPCIFBJ-CYBMUJFWSA-N -1 1 377.238 2.958 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000765748077 656150513 /nfs/dbraw/zinc/15/05/13/656150513.db2.gz VKDQQWAXZZYSCX-UHFFFAOYSA-N -1 1 392.253 2.649 20 10 GFCDMM CS(=O)(=O)c1cc(C(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000765766831 656151611 /nfs/dbraw/zinc/15/16/11/656151611.db2.gz CLQYXZWZPNDTKM-UHFFFAOYSA-N -1 1 390.280 2.550 20 10 GFCDMM COc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000766200812 656164895 /nfs/dbraw/zinc/16/48/95/656164895.db2.gz OHROEZAZKXPDPC-UHFFFAOYSA-N -1 1 390.230 2.781 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H](c1ncccn1)C1CC1 ZINC000925463773 664672501 /nfs/dbraw/zinc/67/25/01/664672501.db2.gz BVBLXPRLJQWJTH-CYBMUJFWSA-N -1 1 377.242 2.895 20 10 GFCDMM CCn1cc(CN2CCCN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])CC2)cn1 ZINC000737300787 600215324 /nfs/dbraw/zinc/21/53/24/600215324.db2.gz FBUQIXGHGANLOD-FNORWQNLSA-N -1 1 399.451 2.621 20 10 GFCDMM CC(C)(CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)NC(=O)[O-] ZINC000823881368 605520798 /nfs/dbraw/zinc/52/07/98/605520798.db2.gz FWOODQYASPAANJ-CQSZACIVSA-N -1 1 383.876 2.563 20 10 GFCDMM COC1([C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000817178484 660185001 /nfs/dbraw/zinc/18/50/01/660185001.db2.gz XMFICVLWHVAWNR-LLVKDONJSA-N -1 1 387.274 2.538 20 10 GFCDMM CC(C)c1cnc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000277448685 655319902 /nfs/dbraw/zinc/31/99/02/655319902.db2.gz HRIXTMDLTIXVLR-UHFFFAOYSA-N -1 1 398.282 2.990 20 10 GFCDMM CN(C)c1ccc(CNC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000760815130 655992268 /nfs/dbraw/zinc/99/22/68/655992268.db2.gz ZLIVIABPKYPEMH-UHFFFAOYSA-N -1 1 396.228 2.993 20 10 GFCDMM O=C(NCCOc1ncccc1F)NCc1cccc(Br)c1[O-] ZINC000764799219 656120321 /nfs/dbraw/zinc/12/03/21/656120321.db2.gz IUJYZYZINVMBCQ-UHFFFAOYSA-N -1 1 384.205 2.567 20 10 GFCDMM CNC(=O)Cc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765228404 656137860 /nfs/dbraw/zinc/13/78/60/656137860.db2.gz QSMVLJOJFYKOFN-UHFFFAOYSA-N -1 1 392.253 2.765 20 10 GFCDMM Cc1nc(C(=O)NCc2cccc(Br)c2[O-])nn1-c1ccccc1 ZINC000765730522 656149337 /nfs/dbraw/zinc/14/93/37/656149337.db2.gz COENJYDSKOJLKO-UHFFFAOYSA-N -1 1 387.237 2.974 20 10 GFCDMM CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765736082 656149520 /nfs/dbraw/zinc/14/95/20/656149520.db2.gz KYBSPVPTLWKQAB-MHWRWJLKSA-N -1 1 389.249 2.948 20 10 GFCDMM NC(=O)N[C@@H](CC(=O)NCc1cccc(Br)c1[O-])c1cccs1 ZINC000765751662 656150769 /nfs/dbraw/zinc/15/07/69/656150769.db2.gz IWAWBHFQEWHRDV-NSHDSACASA-N -1 1 398.282 2.632 20 10 GFCDMM CCOc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765925569 656154802 /nfs/dbraw/zinc/15/48/02/656154802.db2.gz IFBMPGVQRYLCBI-UHFFFAOYSA-N -1 1 393.237 2.808 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccc2c(c1)CCO2 ZINC000766206979 656165215 /nfs/dbraw/zinc/16/52/15/656165215.db2.gz KMVYENBFMPYHTM-UHFFFAOYSA-N -1 1 384.251 2.568 20 10 GFCDMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(NS(C)(=O)=O)cc3)cc2s1 ZINC000793354433 658388281 /nfs/dbraw/zinc/38/82/81/658388281.db2.gz WQTHRWKTEMWUCX-UHFFFAOYSA-N -1 1 397.503 2.777 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc(OCC2CC2)cn1 ZINC000803214104 659558416 /nfs/dbraw/zinc/55/84/16/659558416.db2.gz NHHGPFNDJYYOMI-UHFFFAOYSA-N -1 1 378.226 2.664 20 10 GFCDMM Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cccc(Br)c3[O-])C2)cn1 ZINC000874051114 662821416 /nfs/dbraw/zinc/82/14/16/662821416.db2.gz OGXRFACYJMMJGW-OLZOCXBDSA-N -1 1 394.269 2.579 20 10 GFCDMM O=C1N[C@H](c2cc(O)cc(Br)c2[O-])N2CCc3ccccc3[C@H]12 ZINC000877856259 662885123 /nfs/dbraw/zinc/88/51/23/662885123.db2.gz QFLIGXXKRCOLQT-ZBFHGGJFSA-N -1 1 375.222 2.588 20 10 GFCDMM Cc1cc(Br)c([O-])c(CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)c1 ZINC000895376872 663510816 /nfs/dbraw/zinc/51/08/16/663510816.db2.gz CSAPWAOVJMHGOQ-CMJOXMDJSA-N -1 1 398.326 2.502 20 10 GFCDMM Cc1ncsc1CCS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000296167507 563276842 /nfs/dbraw/zinc/27/68/42/563276842.db2.gz KTUIRRMVNNYTJN-UHFFFAOYSA-N -1 1 391.312 2.582 20 10 GFCDMM O=C([O-])c1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCO4)n2)c[nH]1 ZINC000740068495 600055319 /nfs/dbraw/zinc/05/53/19/600055319.db2.gz IGQVBHJMQRDDHP-UHFFFAOYSA-N -1 1 391.430 2.572 20 10 GFCDMM COc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1C(=O)[O-] ZINC000738069891 600659242 /nfs/dbraw/zinc/65/92/42/600659242.db2.gz NIMMIYBIQUMACD-UHFFFAOYSA-N -1 1 380.403 2.911 20 10 GFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000739794155 600953815 /nfs/dbraw/zinc/95/38/15/600953815.db2.gz VNNJWOGVAJZGTF-MRXNPFEDSA-N -1 1 390.823 2.958 20 10 GFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000739794155 600953816 /nfs/dbraw/zinc/95/38/16/600953816.db2.gz VNNJWOGVAJZGTF-MRXNPFEDSA-N -1 1 390.823 2.958 20 10 GFCDMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)n1-c1ccc(F)cc1 ZINC000832861404 601093774 /nfs/dbraw/zinc/09/37/74/601093774.db2.gz GOEXYMHPYULFMQ-AWEZNQCLSA-N -1 1 387.455 2.854 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000834476250 660821851 /nfs/dbraw/zinc/82/18/51/660821851.db2.gz SKGUSPJUMBSSSF-HIFRSBDPSA-N -1 1 395.297 2.952 20 10 GFCDMM C[C@@H](NCc1nn(C)cc1I)c1ccc(F)cc1[O-] ZINC000834899179 660837367 /nfs/dbraw/zinc/83/73/67/660837367.db2.gz IZWMAMUWUQWQLD-MRVPVSSYSA-N -1 1 375.185 2.720 20 10 GFCDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000044256599 654655366 /nfs/dbraw/zinc/65/53/66/654655366.db2.gz NIJKZOZYVABTGK-UHFFFAOYSA-N -1 1 378.834 2.651 20 10 GFCDMM O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)c([O-])c1 ZINC000133248445 654958055 /nfs/dbraw/zinc/95/80/55/654958055.db2.gz POXTZCSEEHCAMS-UHFFFAOYSA-N -1 1 391.265 2.921 20 10 GFCDMM C[C@H](NCc1nncn1C)c1cc(Br)cc(Br)c1[O-] ZINC000273302386 655138610 /nfs/dbraw/zinc/13/86/10/655138610.db2.gz BUJDLBGNHATECX-ZETCQYMHSA-N -1 1 390.079 2.897 20 10 GFCDMM COC(=O)c1cn([C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)nn1 ZINC000762794419 656058982 /nfs/dbraw/zinc/05/89/82/656058982.db2.gz LFDUVCGVBIUPCU-GFCCVEGCSA-N -1 1 385.251 2.914 20 10 GFCDMM CNS(=O)(=O)c1ccc(NCc2cccc(Br)c2[O-])c(F)c1 ZINC000764935326 656123630 /nfs/dbraw/zinc/12/36/30/656123630.db2.gz RKEKTAKURXCUBP-UHFFFAOYSA-N -1 1 389.246 2.814 20 10 GFCDMM CCOC(=O)c1cc(NC(=O)NCc2cccc(Br)c2[O-])cn1C ZINC000765304598 656140132 /nfs/dbraw/zinc/14/01/32/656140132.db2.gz YHTDNXATIWWRKE-UHFFFAOYSA-N -1 1 396.241 2.992 20 10 GFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cnc2c(c1)COCC2 ZINC000765340420 656140654 /nfs/dbraw/zinc/14/06/54/656140654.db2.gz WCZUTESVDIXKIU-UHFFFAOYSA-N -1 1 378.226 2.944 20 10 GFCDMM COC[C@H](C)n1ccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765361800 656141194 /nfs/dbraw/zinc/14/11/94/656141194.db2.gz IJRZMRBECCNEPA-JTQLQIEISA-N -1 1 383.246 2.880 20 10 GFCDMM C[C@@H](NC(=O)C1CCCCC1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765746023 656150294 /nfs/dbraw/zinc/15/02/94/656150294.db2.gz BSQVLERIKZVDRM-LLVKDONJSA-N -1 1 383.286 2.856 20 10 GFCDMM CC(=O)NCc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765751517 656150683 /nfs/dbraw/zinc/15/06/83/656150683.db2.gz FKNHPFKZRLNEQO-UHFFFAOYSA-N -1 1 377.238 2.721 20 10 GFCDMM Cc1ccccc1C(=O)NCC(=O)NCc1cccc(Br)c1[O-] ZINC000765754186 656151116 /nfs/dbraw/zinc/15/11/16/656151116.db2.gz SCOUOHYFJFAQQK-UHFFFAOYSA-N -1 1 377.238 2.509 20 10 GFCDMM COCCOc1ncccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765764126 656151292 /nfs/dbraw/zinc/15/12/92/656151292.db2.gz JTPOFQWVHWANDF-UHFFFAOYSA-N -1 1 381.226 2.505 20 10 GFCDMM O=C(Cc1cnn(-c2ccccc2)n1)NCc1cccc(Br)c1[O-] ZINC000765764078 656151359 /nfs/dbraw/zinc/15/13/59/656151359.db2.gz HGUNNMFFPMTAHT-UHFFFAOYSA-N -1 1 387.237 2.594 20 10 GFCDMM CS(=O)(=O)c1csc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765766689 656151598 /nfs/dbraw/zinc/15/15/98/656151598.db2.gz AGNADGXNXZTBOV-UHFFFAOYSA-N -1 1 390.280 2.550 20 10 GFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccc2c(c1)CCCO2 ZINC000766200619 656164674 /nfs/dbraw/zinc/16/46/74/656164674.db2.gz MUVDAHMKOWNKRA-UHFFFAOYSA-N -1 1 398.278 2.958 20 10 GFCDMM COc1ccc(NCc2cccc(Br)c2[O-])cc1-n1cnnn1 ZINC000770590332 656323625 /nfs/dbraw/zinc/32/36/25/656323625.db2.gz YUOSIXMTMLWCTP-UHFFFAOYSA-N -1 1 376.214 2.751 20 10 GFCDMM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1)OCCO2 ZINC000776748676 656791452 /nfs/dbraw/zinc/79/14/52/656791452.db2.gz BTVSVTKGXYPBMH-UHFFFAOYSA-N -1 1 386.769 2.526 20 10 GFCDMM CN(C)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC000795773763 658848730 /nfs/dbraw/zinc/84/87/30/658848730.db2.gz DQPWKPROMHYUQL-UHFFFAOYSA-N -1 1 387.820 2.932 20 10 GFCDMM Cc1nc(S(=O)(=O)[N-]Cc2cc(Br)ccc2O)sc1C ZINC000796190277 658898989 /nfs/dbraw/zinc/89/89/89/658898989.db2.gz FTJCECZVJWLDGS-UHFFFAOYSA-N -1 1 377.285 2.707 20 10 GFCDMM COc1c([O-])c(CN[C@@H](C)c2ncc(Br)cn2)ccc1[N+](=O)[O-] ZINC000816627223 660163451 /nfs/dbraw/zinc/16/34/51/660163451.db2.gz IFOVCISRXQZPMQ-QMMMGPOBSA-N -1 1 383.202 2.712 20 10 GFCDMM Cn1ccnc1[C@H](NCc1cc(Br)cc(F)c1[O-])C(C)(C)CO ZINC000894883154 663486452 /nfs/dbraw/zinc/48/64/52/663486452.db2.gz RISUCWLXHSKQPW-AWEZNQCLSA-N -1 1 386.265 2.877 20 10 GFCDMM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])s1 ZINC000908327854 664099476 /nfs/dbraw/zinc/09/94/76/664099476.db2.gz HFRPEWQAQTVGLG-SECBINFHSA-N -1 1 388.898 2.783 20 10 GFCDMM Cc1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c(Cl)cc1F ZINC000120701560 677397533 /nfs/dbraw/zinc/39/75/33/677397533.db2.gz ILSLSXCXPIKIBT-UHFFFAOYSA-N -1 1 392.861 2.960 20 10 GFCDMM