smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](NNC(=O)COc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000833115577 600733542 /nfs/dbraw/zinc/73/35/42/600733542.db2.gz VAALSOFWDQVEEK-OAHLLOKOSA-N -1 0 387.194 2.958 20 50 GFGDRM O=C([O-])[C@H](NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(Cl)cc1Cl ZINC000833149491 600745812 /nfs/dbraw/zinc/74/58/12/600745812.db2.gz RPNRPFQLXSHTQL-LSDHHAIUSA-N -1 0 381.215 2.744 20 50 GFGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H](CC(=O)[O-])C2CC2)c(C)n1C[C@H]1CCCO1 ZINC000832882119 601521626 /nfs/dbraw/zinc/52/16/26/601521626.db2.gz YUXQEPUKCHJCQQ-KIQQWLQXSA-N -1 0 385.464 2.560 20 50 GFGDRM C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)cc1)C(=O)[O-] ZINC000827884299 602111798 /nfs/dbraw/zinc/11/17/98/602111798.db2.gz BBHHAWHGMQROBF-KAQJVSAMSA-N -1 0 382.338 2.999 20 50 GFGDRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000832324773 603449498 /nfs/dbraw/zinc/44/94/98/603449498.db2.gz IPTKGHGIRIERCN-WCBMZHEXSA-N -1 0 390.318 2.883 20 50 GFGDRM CC(C)c1ccccc1NC(=S)NNC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000824476635 603554419 /nfs/dbraw/zinc/55/44/19/603554419.db2.gz PKKPCXIBALXSCY-QWHCGFSZSA-N -1 0 378.498 2.954 20 50 GFGDRM Cc1ccccc1NNC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[O-] ZINC000830586682 604000328 /nfs/dbraw/zinc/00/03/28/604000328.db2.gz NRPDRMMDSJPTBV-IBGZPJMESA-N -1 0 393.447 2.562 20 50 GFGDRM C[C@@H](CC(=O)NNC(=O)CCCc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824671458 604331539 /nfs/dbraw/zinc/33/15/39/604331539.db2.gz HLVLWRWMMNHBDS-DOTOQJQBSA-N -1 0 375.469 2.573 20 50 GFGDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000826103942 604534053 /nfs/dbraw/zinc/53/40/53/604534053.db2.gz YONJAGCJBWWTDN-KRWDZBQOSA-N -1 0 387.411 2.551 20 50 GFGDRM CC(C)(C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1cccc(Br)c1 ZINC000833411585 604806855 /nfs/dbraw/zinc/80/68/55/604806855.db2.gz JPVUODJBJCOTMO-UHFFFAOYSA-N -1 0 378.226 2.963 20 50 GFGDRM Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccc(C(=O)[O-])c(F)c3)[nH]n2)cc1C ZINC000832905823 604833906 /nfs/dbraw/zinc/83/39/06/604833906.db2.gz IVKIJRMGBGZCKO-UHFFFAOYSA-N -1 0 396.378 2.606 20 50 GFGDRM CC(C)C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N1CCCCC1=O ZINC000833474267 605245457 /nfs/dbraw/zinc/24/54/57/605245457.db2.gz OGMCPIZMNJBGLD-OAHLLOKOSA-N -1 0 381.860 2.909 20 50 GFGDRM CC(C)[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000833621188 605245978 /nfs/dbraw/zinc/24/59/78/605245978.db2.gz IORURHGAQFMBRJ-HSMVNMDESA-N -1 0 383.876 2.615 20 50 GFGDRM CC(=O)N[C@@H](CC(=O)NNc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000833395594 605260095 /nfs/dbraw/zinc/26/00/95/605260095.db2.gz PPJNYILEBKWDPO-INIZCTEOSA-N -1 0 375.812 2.749 20 50 GFGDRM CC(C)n1nnnc1-c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1F ZINC000833513990 605277406 /nfs/dbraw/zinc/27/74/06/605277406.db2.gz MDRSBSBVIVZFNT-UHFFFAOYSA-N -1 0 399.386 2.907 20 50 GFGDRM O=C([O-])N1CCCc2cc(NC(=O)C(=O)NNc3ccccc3Cl)ccc21 ZINC000834050008 605584763 /nfs/dbraw/zinc/58/47/63/605584763.db2.gz URJPDERLXGTZAE-UHFFFAOYSA-N -1 0 388.811 2.852 20 50 GFGDRM C[C@@H]1CN(c2ccc(NC(=O)NNc3cccc(C(=O)[O-])c3)cn2)C[C@H](C)O1 ZINC000833634799 605707519 /nfs/dbraw/zinc/70/75/19/605707519.db2.gz KXPVQMCFFGOBDJ-BETUJISGSA-N -1 0 385.424 2.542 20 50 GFGDRM CS(=O)(=O)Nc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1Cl ZINC000833737725 605712354 /nfs/dbraw/zinc/71/23/54/605712354.db2.gz KPQGWKSYDOBQQG-UHFFFAOYSA-N -1 0 398.828 2.558 20 50 GFGDRM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833441241 605734415 /nfs/dbraw/zinc/73/44/15/605734415.db2.gz QPMCIYVAWSREHJ-OCCSQVGLSA-N -1 0 377.441 2.911 20 50 GFGDRM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833441672 605734458 /nfs/dbraw/zinc/73/44/58/605734458.db2.gz VONSTTCFRNJGOL-KRWDZBQOSA-N -1 0 399.447 2.964 20 50 GFGDRM COc1ccccc1N1CCC(NC(=O)NNc2cccc(C(=O)[O-])c2)CC1 ZINC000833736733 605742079 /nfs/dbraw/zinc/74/20/79/605742079.db2.gz WFYAUCQJBCGAOK-UHFFFAOYSA-N -1 0 384.436 2.689 20 50 GFGDRM CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833438421 605743184 /nfs/dbraw/zinc/74/31/84/605743184.db2.gz CNCXHWAFKPBOJF-OAHLLOKOSA-N -1 0 392.456 2.801 20 50 GFGDRM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C=NNC(=O)CCCNC(=O)[O-] ZINC000833903911 605796161 /nfs/dbraw/zinc/79/61/61/605796161.db2.gz GKSMCYPTWRWBIR-UHFFFAOYSA-N -1 0 391.859 2.949 20 50 GFGDRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)c1c(Cl)cccc1Cl ZINC000833833318 606034252 /nfs/dbraw/zinc/03/42/52/606034252.db2.gz ZWLBFCIQFRQHFT-JDNHERCYSA-N -1 0 388.251 2.971 20 50 GFGDRM O=C([O-])Nc1ccccc1CC(=O)NNC(=O)c1ccccc1Br ZINC000834275025 606041174 /nfs/dbraw/zinc/04/11/74/606041174.db2.gz XBSUNGKXRRNRGO-UHFFFAOYSA-N -1 0 392.209 2.543 20 50 GFGDRM O=C([O-])Nc1ccccc1CC(=O)NNC(=O)c1cccc(C(F)(F)F)c1 ZINC000834274766 606059885 /nfs/dbraw/zinc/05/98/85/606059885.db2.gz PYMHYGWKOOWKRV-UHFFFAOYSA-N -1 0 381.310 2.799 20 50 GFGDRM O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(-c2nn[nH]n2)cs1 ZINC000823281394 606583018 /nfs/dbraw/zinc/58/30/18/606583018.db2.gz RPPSQIAFJBJFSL-UHFFFAOYSA-N -1 0 399.314 2.612 20 50 GFGDRM CC[C@@H](C)n1ncc(C(=O)NNc2oc(C(C)C)nc2-c2nnn[n-]2)c1C1CC1 ZINC000825080552 608027603 /nfs/dbraw/zinc/02/76/03/608027603.db2.gz AHHZPPKCGCXAQH-SNVBAGLBSA-N -1 0 399.459 2.780 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccccc1OC1CCC1 ZINC000826445714 608577601 /nfs/dbraw/zinc/57/76/01/608577601.db2.gz GTGGKYWQPGURBH-UHFFFAOYSA-N -1 0 385.815 2.603 20 50 GFGDRM Cc1cc(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)c(Cl)cc1F ZINC000826259897 608581987 /nfs/dbraw/zinc/58/19/87/608581987.db2.gz LKYGNVUOBFBLIS-UHFFFAOYSA-N -1 0 382.186 2.773 20 50 GFGDRM O=C([O-])[C@@H](NNC(=O)COc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000833115576 600733665 /nfs/dbraw/zinc/73/36/65/600733665.db2.gz VAALSOFWDQVEEK-HNNXBMFYSA-N -1 0 387.194 2.958 20 50 GFGDRM O=C([O-])[C@H](NNC(=O)c1ccc(F)cc1Br)c1ccccc1F ZINC000833149498 600741301 /nfs/dbraw/zinc/74/13/01/600741301.db2.gz RWUFCSMNLKPGBC-CYBMUJFWSA-N -1 0 385.164 2.788 20 50 GFGDRM Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000832927327 601065921 /nfs/dbraw/zinc/06/59/21/601065921.db2.gz ACZMXYFWBWTANW-VUQQOUJSSA-N -1 0 392.411 2.848 20 50 GFGDRM CC[C@](C)(CC(=O)[O-])NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C ZINC000828611995 601133129 /nfs/dbraw/zinc/13/31/29/601133129.db2.gz LHLQUSGCJHLZEP-VVRSRQJMSA-N -1 0 387.480 2.951 20 50 GFGDRM CC[C@](C)(CC(=O)[O-])NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C ZINC000828611996 601133285 /nfs/dbraw/zinc/13/32/85/601133285.db2.gz LHLQUSGCJHLZEP-YSMSIUSCSA-N -1 0 387.480 2.951 20 50 GFGDRM Cc1cc(/C=C(/C#N)C(=O)NCC2(C(=O)[O-])CCCC2)c(C)n1C[C@@H]1CCCO1 ZINC000832881244 601599036 /nfs/dbraw/zinc/59/90/36/601599036.db2.gz MVSCXZCKSQXTTI-LOHYDARVSA-N -1 0 399.491 2.952 20 50 GFGDRM Cc1cc(/C=C(\C#N)C(=O)NCC2(C(=O)[O-])CCCC2)c(C)n1C[C@@H]1CCCO1 ZINC000832881245 601599060 /nfs/dbraw/zinc/59/90/60/601599060.db2.gz MVSCXZCKSQXTTI-MVDPLZLPSA-N -1 0 399.491 2.952 20 50 GFGDRM O=C([O-])[C@H](NNC(=O)COc1ccccc1F)c1cc(Cl)cc(Cl)c1 ZINC000833114728 601971041 /nfs/dbraw/zinc/97/10/41/601971041.db2.gz KLYLFHNYIAFDFN-OAHLLOKOSA-N -1 0 387.194 2.958 20 50 GFGDRM C[C@H](NC(=O)[O-])C1CCN(C(=O)NNC(=O)c2cccc3ccccc32)CC1 ZINC000825288208 603819626 /nfs/dbraw/zinc/81/96/26/603819626.db2.gz NBTJHWSBSQNOIE-ZDUSSCGKSA-N -1 0 384.436 2.562 20 50 GFGDRM Cc1cc(C(=O)NNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c(C)n1-c1ccccc1 ZINC000832845354 604265757 /nfs/dbraw/zinc/26/57/57/604265757.db2.gz BMBDXMFKLSBZNF-UHFFFAOYSA-N -1 0 394.431 2.812 20 50 GFGDRM C[C@@H](CC(=O)NNC(=O)C(C)(C)c1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824671993 604344537 /nfs/dbraw/zinc/34/45/37/604344537.db2.gz OZYAYFDVXNNCRE-GJZGRUSLSA-N -1 0 375.469 2.528 20 50 GFGDRM Cc1ccccc1CC(=O)NNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832977915 604536879 /nfs/dbraw/zinc/53/68/79/604536879.db2.gz XZYUKFLDEVGBOH-SFHVURJKSA-N -1 0 383.448 2.720 20 50 GFGDRM CCc1ccc(-c2cc(C(=O)NNC(=O)c3ccc(C(=O)[O-])c(F)c3)[nH]n2)cc1 ZINC000830229376 604832884 /nfs/dbraw/zinc/83/28/84/604832884.db2.gz RMWRISGUWVAMGX-UHFFFAOYSA-N -1 0 396.378 2.551 20 50 GFGDRM Cc1c(/C=C(\C#N)C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc(C#N)n1C ZINC000832853816 604960443 /nfs/dbraw/zinc/96/04/43/604960443.db2.gz VRMAQMDZLUKGRI-WLRTZDKTSA-N -1 0 398.806 2.868 20 50 GFGDRM Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NN[C@@H](C(=O)[O-])c1cccnc1 ZINC000832886093 604987939 /nfs/dbraw/zinc/98/79/39/604987939.db2.gz HMBLKMIVZLBRJW-SWLSCSKDSA-N -1 0 377.828 2.566 20 50 GFGDRM CC(C)(C)OC(=O)NCCCC(=O)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000833442532 605026984 /nfs/dbraw/zinc/02/69/84/605026984.db2.gz PWXFHOYHUMREAX-UHFFFAOYSA-N -1 0 388.424 2.621 20 50 GFGDRM CC1CCC(N2C[C@@H](C(=O)NNc3ccc(C(=O)[O-])c(Cl)c3)CC2=O)CC1 ZINC000833603368 605246048 /nfs/dbraw/zinc/24/60/48/605246048.db2.gz KPEYMVDLKQGXTL-LXVYMNJGSA-N -1 0 393.871 2.909 20 50 GFGDRM CC(=O)N[C@H](CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000833396202 605246565 /nfs/dbraw/zinc/24/65/65/605246565.db2.gz YFYUJZYVYZSMOE-MRXNPFEDSA-N -1 0 375.812 2.749 20 50 GFGDRM CC(C)(C)OC(=O)N(CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC000833434887 605247241 /nfs/dbraw/zinc/24/72/41/605247241.db2.gz QBAUZEBYNBBUPJ-UHFFFAOYSA-N -1 0 383.832 2.881 20 50 GFGDRM N#C/C=C(\c1ccccc1)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833967359 605514199 /nfs/dbraw/zinc/51/41/99/605514199.db2.gz DMRYIAJGFMGOCM-BJRYIZRASA-N -1 0 382.464 2.522 20 50 GFGDRM O=C([O-])NC1(C(=O)NNc2ccccc2Br)Cc2ccccc2C1 ZINC000834154137 605717499 /nfs/dbraw/zinc/71/74/99/605717499.db2.gz OOIIPGAJSPBKSC-UHFFFAOYSA-N -1 0 390.237 2.697 20 50 GFGDRM O=C([O-])N1CCSC[C@@H]1CC(=O)NNc1ccc(Br)cc1F ZINC000833988413 605720290 /nfs/dbraw/zinc/72/02/90/605720290.db2.gz OIUSADOMSWEYKJ-VIFPVBQESA-N -1 0 392.250 2.517 20 50 GFGDRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NNc2ccc(OCC(F)(F)F)cc2)C1 ZINC000834169878 605738242 /nfs/dbraw/zinc/73/82/42/605738242.db2.gz PETSYDAJDMUYJB-CMPLNLGQSA-N -1 0 375.347 2.897 20 50 GFGDRM O=C([O-])NCc1nc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cs1 ZINC000834248548 605738273 /nfs/dbraw/zinc/73/82/73/605738273.db2.gz FXUQXVOMOWDWQW-UHFFFAOYSA-N -1 0 390.343 2.609 20 50 GFGDRM CC[C@H](C#N)Oc1cc(CNC(=O)NNc2cccc(C(=O)[O-])c2)ccc1OC ZINC000833635802 605744792 /nfs/dbraw/zinc/74/47/92/605744792.db2.gz AGWZLFVGWLITOH-MRXNPFEDSA-N -1 0 398.419 2.901 20 50 GFGDRM N#Cc1c(F)cccc1-n1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)n1 ZINC000833761423 605908885 /nfs/dbraw/zinc/90/88/85/605908885.db2.gz ZXCMMQCAACSBIH-UHFFFAOYSA-N -1 0 380.339 2.730 20 50 GFGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNc1ccc(Br)cc1Cl ZINC000834135847 606079181 /nfs/dbraw/zinc/07/91/81/606079181.db2.gz NZWGVHAVNBHMGU-MRVPVSSYSA-N -1 0 386.580 2.837 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826445122 608575213 /nfs/dbraw/zinc/57/52/13/608575213.db2.gz HNSWXWXDGHVGFW-SDDRHHMPSA-N -1 0 375.864 2.965 20 50 GFGDRM Cc1ccc2c(CCC(=O)NN=c3cc(-c4nnn[n-]4)cc(Cl)[nH]3)c[nH]c2c1 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/nfs/dbraw/zinc/74/73/40/600747340.db2.gz NKZUWYVBKMSXLV-ZDUSSCGKSA-N -1 0 385.164 2.788 20 50 GFGDRM CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC000828905691 601750401 /nfs/dbraw/zinc/75/04/01/601750401.db2.gz AOSYLRKDSUFEQM-QMDZLVRISA-N -1 0 381.432 2.989 20 50 GFGDRM COc1cc(OC)cc([C@@H](NNC(=O)c2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000832066440 602167903 /nfs/dbraw/zinc/16/79/03/602167903.db2.gz MEIMHRLOQZDREM-LJQANCHMSA-N -1 0 380.400 2.917 20 50 GFGDRM C[C@@H](C(=O)NNC(=O)c1c[nH]c2ccccc12)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823703450 603240106 /nfs/dbraw/zinc/24/01/06/603240106.db2.gz OLIWCCLOWLJIPV-SJKOYZFVSA-N -1 0 380.404 2.574 20 50 GFGDRM CCN(CC1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1)C(=O)[O-] ZINC000827105318 603479097 /nfs/dbraw/zinc/47/90/97/603479097.db2.gz XFQDRMLKZPASDU-UHFFFAOYSA-N -1 0 388.917 2.869 20 50 GFGDRM C[C@H](CCNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)NC(=O)[O-] ZINC000824793228 603761394 /nfs/dbraw/zinc/76/13/94/603761394.db2.gz GOIYYDZANFVNCO-CYBMUJFWSA-N -1 0 385.424 2.736 20 50 GFGDRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccc2ccccc21 ZINC000832512572 603820815 /nfs/dbraw/zinc/82/08/15/603820815.db2.gz FVYIPMFTZFPKRT-YOEHRIQHSA-N -1 0 384.436 2.610 20 50 GFGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNc2c(F)cc(F)cc2Br)C1 ZINC000832277069 603917492 /nfs/dbraw/zinc/91/74/92/603917492.db2.gz FULNRCFDDZAYBO-HTRCEHHLSA-N -1 0 378.173 2.607 20 50 GFGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNc2c(F)cc(F)cc2Br)C1 ZINC000832277075 603917619 /nfs/dbraw/zinc/91/76/19/603917619.db2.gz FULNRCFDDZAYBO-XPUUQOCRSA-N -1 0 378.173 2.607 20 50 GFGDRM Cc1ccc(NC(=O)NNC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)c(Cl)c1 ZINC000830390547 604135987 /nfs/dbraw/zinc/13/59/87/604135987.db2.gz SILJRIKJPNRQGV-LLVKDONJSA-N -1 0 383.836 2.517 20 50 GFGDRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(F)cc1Br ZINC000832476631 604182514 /nfs/dbraw/zinc/18/25/14/604182514.db2.gz XGQTWNCLXMEZPX-GZMMTYOYSA-N -1 0 389.225 2.651 20 50 GFGDRM O=C([O-])NC1(CC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000832206806 604218052 /nfs/dbraw/zinc/21/80/52/604218052.db2.gz NNCAKYYGCZBPPN-UHFFFAOYSA-N -1 0 376.291 2.637 20 50 GFGDRM CC(=NNC(=O)c1nn(C(C)C)c(=O)c2ccccc21)c1ccc(C(=O)[O-])cc1 ZINC000825804638 604635733 /nfs/dbraw/zinc/63/57/33/604635733.db2.gz QHSSKVBHUCLILT-UHFFFAOYSA-N -1 0 392.415 2.830 20 50 GFGDRM CCCn1nc(C(=O)NN=C(C)c2ccc(C(=O)[O-])cc2)c2ccccc2c1=O ZINC000829585402 604635818 /nfs/dbraw/zinc/63/58/18/604635818.db2.gz USGPFHJTPAVOIZ-UHFFFAOYSA-N -1 0 392.415 2.659 20 50 GFGDRM O=C([O-])c1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1F ZINC000833149711 604805050 /nfs/dbraw/zinc/80/50/50/604805050.db2.gz ZTJRKOHKSXLLKK-UHFFFAOYSA-N -1 0 376.409 2.929 20 50 GFGDRM Cn1c(CC(=O)NN=Cc2cccc3c2N(C(=O)[O-])CCC3)nc2ccccc21 ZINC000830974537 604827336 /nfs/dbraw/zinc/82/73/36/604827336.db2.gz NLZYAZMZAYRGCJ-UHFFFAOYSA-N -1 0 391.431 2.697 20 50 GFGDRM CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000833663821 604852617 /nfs/dbraw/zinc/85/26/17/604852617.db2.gz MEHDVRYEEIEDET-LSSBLYJVSA-N -1 0 398.390 2.780 20 50 GFGDRM CC(C)(C)OC(=O)N1CC(CC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833432436 605243893 /nfs/dbraw/zinc/24/38/93/605243893.db2.gz KLPFWCSMBBQUOL-UHFFFAOYSA-N -1 0 383.832 2.738 20 50 GFGDRM CC(=O)N(CCc1ccccc1)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833389365 605244877 /nfs/dbraw/zinc/24/48/77/605244877.db2.gz LXADBXKYDAVAIA-UHFFFAOYSA-N -1 0 389.839 2.573 20 50 GFGDRM CC(C)CNC(=O)N1CCC[C@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833489132 605245610 /nfs/dbraw/zinc/24/56/10/605245610.db2.gz WGZIWZMGNZIFJA-LBPRGKRZSA-N -1 0 396.875 2.559 20 50 GFGDRM CCOc1ccc(C(C)(C)C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1OCC ZINC000833663064 605311041 /nfs/dbraw/zinc/31/10/41/605311041.db2.gz GZPKAYAMJPPBBN-UHFFFAOYSA-N -1 0 387.436 2.998 20 50 GFGDRM N#Cc1cccc(NNC(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)c1 ZINC000833975925 605716877 /nfs/dbraw/zinc/71/68/77/605716877.db2.gz HZDCTQWDHYIJFM-UHFFFAOYSA-N -1 0 379.420 2.626 20 50 GFGDRM N#Cc1ccc(NNC(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)cc1 ZINC000833973662 605719031 /nfs/dbraw/zinc/71/90/31/605719031.db2.gz BJXXRPLJTNUUOU-UHFFFAOYSA-N -1 0 379.420 2.626 20 50 GFGDRM O=C([O-])c1cccc(NNC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000833765726 605734023 /nfs/dbraw/zinc/73/40/23/605734023.db2.gz YQFWNPHMJMUICL-UHFFFAOYSA-N -1 0 397.412 2.923 20 50 GFGDRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC000832792316 605734473 /nfs/dbraw/zinc/73/44/73/605734473.db2.gz WDAUWUSRAPCFBH-CQSZACIVSA-N -1 0 383.326 2.907 20 50 GFGDRM Cc1sc2nc(CCC(=O)NNc3cccc(C(=O)[O-])c3)[nH]c(=O)c2c1C ZINC000833758253 605736423 /nfs/dbraw/zinc/73/64/23/605736423.db2.gz TZHTXQLJXQBKKV-UHFFFAOYSA-N -1 0 386.433 2.788 20 50 GFGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000833521990 605746561 /nfs/dbraw/zinc/74/65/61/605746561.db2.gz VUGJJDUKPAJXGB-GFCCVEGCSA-N -1 0 381.392 2.746 20 50 GFGDRM O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2ccc(F)cc2Br)CC1 ZINC000834046687 605963164 /nfs/dbraw/zinc/96/31/64/605963164.db2.gz CXMMCPRRGBZJGM-JTQLQIEISA-N -1 0 386.221 2.811 20 50 GFGDRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NNc1cccc(S(C)(=O)=O)c1 ZINC000833905995 606018882 /nfs/dbraw/zinc/01/88/82/606018882.db2.gz GGJKTTNYJGVRHX-UHFFFAOYSA-N -1 0 378.410 2.637 20 50 GFGDRM CCCCNc1ccccc1C(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000825290692 608120685 /nfs/dbraw/zinc/12/06/85/608120685.db2.gz FOJFOSRWGLOQPR-UHFFFAOYSA-N -1 0 384.444 2.947 20 50 GFGDRM CC(C)c1ccccc1OCC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824352859 608574273 /nfs/dbraw/zinc/57/42/73/608574273.db2.gz PZLLFVSRPXQQSD-UHFFFAOYSA-N -1 0 387.831 2.561 20 50 GFGDRM C[C@H](CCc1ccccc1F)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824413844 608575467 /nfs/dbraw/zinc/57/54/67/608575467.db2.gz QSAWAFHHKUCNFF-SNVBAGLBSA-N -1 0 389.822 2.766 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cccn1Cc1ccccc1 ZINC000826446056 608578971 /nfs/dbraw/zinc/57/89/71/608578971.db2.gz XYNGZYJVDRQMQI-UHFFFAOYSA-N -1 0 394.826 2.522 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1c(Cl)cccc1Cl ZINC000826445631 608628607 /nfs/dbraw/zinc/62/86/07/608628607.db2.gz CIHJUUPDKFAOCU-UHFFFAOYSA-N -1 0 384.614 2.979 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1(c2ccccc2)CCCC1 ZINC000826445021 608628618 /nfs/dbraw/zinc/62/86/18/608628618.db2.gz DBGKSUIHGQAUOE-UHFFFAOYSA-N -1 0 383.843 2.870 20 50 GFGDRM CCC(CC)(NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)C(=O)[O-] ZINC000828820731 600976705 /nfs/dbraw/zinc/97/67/05/600976705.db2.gz RDYMEXWSOLYLLB-PNDHZVEESA-N -1 0 387.480 2.951 20 50 GFGDRM C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827895890 601298276 /nfs/dbraw/zinc/29/82/76/601298276.db2.gz OJLPUNJJTCSQQO-VLIAUNLRSA-N -1 0 389.411 2.925 20 50 GFGDRM COC[C@](C)(NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C)C(=O)[O-] ZINC000831591626 601818852 /nfs/dbraw/zinc/81/88/52/601818852.db2.gz WPPBBEJVRWBDMM-OAIBDCNXSA-N -1 0 395.459 2.915 20 50 GFGDRM O=C([O-])Nc1cc(C(=O)NNC(=O)Cc2ccccc2F)cc(C(F)(F)F)c1 ZINC000833281453 602007371 /nfs/dbraw/zinc/00/73/71/602007371.db2.gz JADYACWOEWBNRJ-UHFFFAOYSA-N -1 0 399.300 2.938 20 50 GFGDRM CCn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827693494 603286059 /nfs/dbraw/zinc/28/60/59/603286059.db2.gz COHADAJZRASWOS-UHFFFAOYSA-N -1 0 381.392 2.572 20 50 GFGDRM Cc1ccc(NC(=O)NNC(=O)N[C@H]2CCCCN(C(=O)[O-])C2)c(Cl)c1 ZINC000830390548 604135805 /nfs/dbraw/zinc/13/58/05/604135805.db2.gz SILJRIKJPNRQGV-NSHDSACASA-N -1 0 383.836 2.517 20 50 GFGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 ZINC000832846070 604265620 /nfs/dbraw/zinc/26/56/20/604265620.db2.gz SIQUPGJLBMKNFI-UHFFFAOYSA-N -1 0 387.436 2.829 20 50 GFGDRM C[C@@H](CC(=O)NNC(=O)CCCc1cccs1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824671478 604351582 /nfs/dbraw/zinc/35/15/82/604351582.db2.gz HRAPUIXTOGGTGT-KBPBESRZSA-N -1 0 381.498 2.634 20 50 GFGDRM CC(C)(C(=O)[O-])[C@H](NC(=O)NNC(=O)Cc1ccccc1F)c1ccccc1 ZINC000826103236 604524273 /nfs/dbraw/zinc/52/42/73/604524273.db2.gz OTNIRAJLPNTEQF-QGZVFWFLSA-N -1 0 387.411 2.551 20 50 GFGDRM COc1ccc(CCC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1Br ZINC000833731904 604803820 /nfs/dbraw/zinc/80/38/20/604803820.db2.gz QENCMZDLTKEIOZ-UHFFFAOYSA-N -1 0 394.225 2.627 20 50 GFGDRM CCCc1c(C(=O)NNc2ccc(C(=O)[O-])cn2)cnn1-c1ccc(F)cc1 ZINC000833653472 605244059 /nfs/dbraw/zinc/24/40/59/605244059.db2.gz VQMOBSNGVZEEOR-UHFFFAOYSA-N -1 0 383.383 2.814 20 50 GFGDRM CN1C(=O)C[C@@H](C(=O)NNc2ccccc2C(=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000833697190 605260963 /nfs/dbraw/zinc/26/09/63/605260963.db2.gz CDOVNONJBVKAFX-PBHICJAKSA-N -1 0 387.823 2.701 20 50 GFGDRM Cc1nc(-c2ccccn2)nc(NNC(=O)CN(C(=O)[O-])c2ccccc2)c1C ZINC000829821116 605332182 /nfs/dbraw/zinc/33/21/82/605332182.db2.gz NOEQREVKWPZUPQ-UHFFFAOYSA-N -1 0 392.419 2.783 20 50 GFGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000833521209 605741244 /nfs/dbraw/zinc/74/12/44/605741244.db2.gz MLPYSIXADNGMFA-CQSZACIVSA-N -1 0 384.436 2.609 20 50 GFGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000833520635 605741641 /nfs/dbraw/zinc/74/16/41/605741641.db2.gz GQJKOWOBUINNMB-CYBMUJFWSA-N -1 0 382.420 2.899 20 50 GFGDRM COc1ccc(C2(CNC(=O)NNc3cccc(C(=O)[O-])c3)CCOCC2)cc1 ZINC000833731321 605742326 /nfs/dbraw/zinc/74/23/26/605742326.db2.gz VXLDSAIJRYCTRI-UHFFFAOYSA-N -1 0 399.447 2.768 20 50 GFGDRM O=C([O-])N[C@H](CC(=O)OCCCI)c1ccccc1 ZINC000834126702 605865373 /nfs/dbraw/zinc/86/53/73/605865373.db2.gz DHMAHGPRNAVBHM-LLVKDONJSA-N -1 0 377.178 2.754 20 50 GFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)c2cccc(-c3ccoc3)c2)o1 ZINC000824358917 608027584 /nfs/dbraw/zinc/02/75/84/608027584.db2.gz RYZGXMDLHIOBEK-UHFFFAOYSA-N -1 0 379.380 2.995 20 50 GFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)c2cccc([C@@H]3CCCOC3)c2)o1 ZINC000824359552 608340243 /nfs/dbraw/zinc/34/02/43/608340243.db2.gz WVKQGFOHBCGCFQ-CQSZACIVSA-N -1 0 397.439 2.629 20 50 GFGDRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826316046 608576106 /nfs/dbraw/zinc/57/61/06/608576106.db2.gz BKSJUQMDFMHMKO-UWVGGRQHSA-N -1 0 375.845 2.532 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000826445171 608582142 /nfs/dbraw/zinc/58/21/42/608582142.db2.gz JOJQNRLIBFAJME-LIRRHRJNSA-N -1 0 395.854 2.652 20 50 GFGDRM CCCc1c(C(=O)NNC(=O)c2ccc(Cl)cc2F)[nH]c(C)c1C(=O)[O-] ZINC000829556140 601293287 /nfs/dbraw/zinc/29/32/87/601293287.db2.gz JOPBEJUQUZOGIZ-UHFFFAOYSA-N -1 0 381.791 2.841 20 50 GFGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000833185133 601387114 /nfs/dbraw/zinc/38/71/14/601387114.db2.gz VKYYVOHFPMFTFI-RKDXNWHRSA-N -1 0 375.303 2.948 20 50 GFGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCOC[C@@H]2C(=O)[O-])c(C)n1-c1ccccc1C ZINC000832976228 601609769 /nfs/dbraw/zinc/60/97/69/601609769.db2.gz JLGUCSFSEOGSKL-ZMUHTPIZSA-N -1 0 393.443 2.622 20 50 GFGDRM Cc1cc(C(=O)NNc2ccc(Br)nc2)cc(C)c1OCC(=O)[O-] ZINC000832864557 601756861 /nfs/dbraw/zinc/75/68/61/601756861.db2.gz 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UBKFLKVWCQMWGH-IBGZPJMESA-N -1 0 377.441 2.865 20 50 GFGDRM CSc1ccc(C)c(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)c1 ZINC000826230090 608573336 /nfs/dbraw/zinc/57/33/36/608573336.db2.gz DAOQZTZLRFSWCQ-UHFFFAOYSA-N -1 0 375.845 2.702 20 50 GFGDRM COc1ccc(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)c2ccccc12 ZINC000826187574 608573341 /nfs/dbraw/zinc/57/33/41/608573341.db2.gz WUWBTLMJQFNCDG-UHFFFAOYSA-N -1 0 395.810 2.834 20 50 GFGDRM C[C@H](Cc1ccccc1Cl)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824457581 608574373 /nfs/dbraw/zinc/57/43/73/608574373.db2.gz QEZXEJNZUTUXFT-SECBINFHSA-N -1 0 392.250 2.890 20 50 GFGDRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826316045 608576006 /nfs/dbraw/zinc/57/60/06/608576006.db2.gz BKSJUQMDFMHMKO-NXEZZACHSA-N -1 0 375.845 2.532 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cc(Cl)ccc1Cl ZINC000826445981 608578975 /nfs/dbraw/zinc/57/89/75/608578975.db2.gz UALDOXWRZMNZHT-UHFFFAOYSA-N -1 0 384.614 2.979 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cc(F)c(F)cc1Cl ZINC000826445966 608580276 /nfs/dbraw/zinc/58/02/76/608580276.db2.gz SNTFNDUKBMITDU-UHFFFAOYSA-N -1 0 386.149 2.604 20 50 GFGDRM Cc1cc(C)c(C=CC(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)cc1C ZINC000826263261 608630565 /nfs/dbraw/zinc/63/05/65/608630565.db2.gz SAPZNGCQCIAZRI-PLNGDYQASA-N -1 0 383.843 2.997 20 50 GFGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])c2cccc(F)c2)c1C ZINC000831801035 601154142 /nfs/dbraw/zinc/15/41/42/601154142.db2.gz WPYJGGREWHYJOM-YVLHZVERSA-N -1 0 399.422 2.915 20 50 GFGDRM O=C([O-])c1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)cc([N+](=O)[O-])c1 ZINC000833298123 601588917 /nfs/dbraw/zinc/58/89/17/601588917.db2.gz OFIIXRLAGPVLEL-UHFFFAOYSA-N -1 0 379.332 2.507 20 50 GFGDRM COc1ccccc1C(=O)NNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000832590086 602008496 /nfs/dbraw/zinc/00/84/96/602008496.db2.gz YDKYPCDPAFEOIY-UHFFFAOYSA-N -1 0 397.309 2.879 20 50 GFGDRM COc1cc(OC)cc([C@H](NNC(=O)Cc2cccc3ccccc32)C(=O)[O-])c1 ZINC000832065552 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GFGDRM CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)NNc2cccc(C(=O)[O-])c2)CC1 ZINC000833436731 605736840 /nfs/dbraw/zinc/73/68/40/605736840.db2.gz MDIPQLKZRLDFOT-HNNXBMFYSA-N -1 0 389.452 2.865 20 50 GFGDRM CC(C)COc1ccccc1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824272166 608571066 /nfs/dbraw/zinc/57/10/66/608571066.db2.gz VBQNENKWPQWYQR-UHFFFAOYSA-N -1 0 387.831 2.707 20 50 GFGDRM O=C(Cc1ccc(Cl)c(Cl)c1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826422499 608578930 /nfs/dbraw/zinc/57/89/30/608578930.db2.gz BPCTZYHTFWIGAJ-UHFFFAOYSA-N -1 0 398.641 2.908 20 50 GFGDRM CC(C)(C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccccc1Cl ZINC000824065359 608580588 /nfs/dbraw/zinc/58/05/88/608580588.db2.gz YGYXVCDPLGHSOI-UHFFFAOYSA-N -1 0 392.250 2.989 20 50 GFGDRM COc1cc(C(=O)NN[C@H](C(=O)[O-])c2ccccc2F)ccc1OC(C)C ZINC000831877773 600733173 /nfs/dbraw/zinc/73/31/73/600733173.db2.gz MWPYCJLMHPWROP-KRWDZBQOSA-N -1 0 376.384 2.682 20 50 GFGDRM N#Cc1ccc(OCC(=O)NN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000833071964 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O=C([O-])N1CCC(n2cccc2C(=O)NN=c2nc[nH]c3ccsc32)CC1 ZINC000831742429 605126339 /nfs/dbraw/zinc/12/63/39/605126339.db2.gz FRUIYYILIMJUPB-UHFFFAOYSA-N -1 0 386.437 2.565 20 50 GFGDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(C(=O)[O-])cn1 ZINC000833508628 605185237 /nfs/dbraw/zinc/18/52/37/605185237.db2.gz ZWBZZKLTXCVRRS-UHFFFAOYSA-N -1 0 376.394 2.945 20 50 GFGDRM CCS(=O)(=O)c1cccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000833665529 605246029 /nfs/dbraw/zinc/24/60/29/605246029.db2.gz DYOCVTGKXJHVEF-UHFFFAOYSA-N -1 0 382.825 2.589 20 50 GFGDRM COc1ccc(NNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 ZINC000829479305 605421578 /nfs/dbraw/zinc/42/15/78/605421578.db2.gz IASYWUYTBWCWQD-BDJLRTHQSA-N -1 0 388.380 2.692 20 50 GFGDRM COc1cc(Cl)ccc1C(=O)NNC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829134763 605574738 /nfs/dbraw/zinc/57/47/38/605574738.db2.gz HNEAYXLZKZJUSC-CQSZACIVSA-N -1 0 391.811 2.509 20 50 GFGDRM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C(=O)NNc2ccccc2C(=O)[O-])CC1 ZINC000833437814 605723136 /nfs/dbraw/zinc/72/31/36/605723136.db2.gz WNKVHFFIRHXRNF-CQSZACIVSA-N -1 0 389.452 2.865 20 50 GFGDRM C[C@]1(C(=O)NNc2cccc(C(=O)[O-])c2)CCCN(C(=O)c2ccccc2)C1 ZINC000833553588 605737876 /nfs/dbraw/zinc/73/78/76/605737876.db2.gz VFXBRUWREQHARM-NRFANRHFSA-N -1 0 381.432 2.770 20 50 GFGDRM O=C([O-])NCCC(=O)NN=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000834227189 605749446 /nfs/dbraw/zinc/74/94/46/605749446.db2.gz NGMLSNYOYGDKKE-UHFFFAOYSA-N -1 0 386.355 2.937 20 50 GFGDRM Cc1cc(C(=O)NNC(=O)c2cc(-c3cccs3)n[nH]2)ccc1NC(=O)[O-] ZINC000829961176 605811328 /nfs/dbraw/zinc/81/13/28/605811328.db2.gz AUSKMXOMMUVGOU-UHFFFAOYSA-N -1 0 385.405 2.611 20 50 GFGDRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccc(CCCl)cc1 ZINC000832239427 605948025 /nfs/dbraw/zinc/94/80/25/605948025.db2.gz HGDUCNYXOYTCDC-GOOCMWNKSA-N -1 0 386.901 2.810 20 50 GFGDRM O=C([O-])N1CCC2(C[C@@H]2C(=O)NNc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000834048772 605964456 /nfs/dbraw/zinc/96/44/56/605964456.db2.gz RMKUYSFGGWIFJU-CYBMUJFWSA-N 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CCC(=CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccc(OC)cc1 ZINC000825028429 608626910 /nfs/dbraw/zinc/62/69/10/608626910.db2.gz IDEYAFUUXFGUQE-KHPPLWFESA-N -1 0 399.842 2.860 20 50 GFGDRM O=C([O-])[C@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(Cl)cc1Cl ZINC000833149490 600746058 /nfs/dbraw/zinc/74/60/58/600746058.db2.gz RPNRPFQLXSHTQL-HUUCEWRRSA-N -1 0 381.215 2.744 20 50 GFGDRM N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000833062271 601331102 /nfs/dbraw/zinc/33/11/02/601331102.db2.gz ANDKAFXDQHFGRJ-BJMVGYQFSA-N -1 0 396.384 2.793 20 50 GFGDRM Cc1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)cc(C)c1OCC(=O)[O-] ZINC000832864548 601588566 /nfs/dbraw/zinc/58/85/66/601588566.db2.gz MXRFUUAXGRKBJV-UHFFFAOYSA-N -1 0 392.415 2.981 20 50 GFGDRM CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC000828905694 601750423 /nfs/dbraw/zinc/75/04/23/601750423.db2.gz AOSYLRKDSUFEQM-SKTWIKFTSA-N -1 0 381.432 2.989 20 50 GFGDRM COC[C@@](C)(NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C)C(=O)[O-] 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ZINC000834127663 605631977 /nfs/dbraw/zinc/63/19/77/605631977.db2.gz QRIUBVGCMNLGNU-QGZVFWFLSA-N -1 0 377.404 2.986 20 50 GFGDRM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NNc2ccccc2C(=O)[O-])C1 ZINC000833440841 605723153 /nfs/dbraw/zinc/72/31/53/605723153.db2.gz OETGQLWVEIUTIM-CHWSQXEVSA-N -1 0 377.441 2.911 20 50 GFGDRM CC(C)(C)OC(=O)N1CCC(CNC(=O)NNc2cccc(C(=O)[O-])c2)CC1 ZINC000833436189 605742884 /nfs/dbraw/zinc/74/28/84/605742884.db2.gz FWGUZGGXUQNWCC-UHFFFAOYSA-N -1 0 392.456 2.658 20 50 GFGDRM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)nn1 ZINC000834183480 606034550 /nfs/dbraw/zinc/03/45/50/606034550.db2.gz LSBGBHJARZXGAW-VHSXEESVSA-N -1 0 375.351 2.545 20 50 GFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@H](C)Cc2cccc(Cl)c2)o1 ZINC000824456900 607889160 /nfs/dbraw/zinc/88/91/60/607889160.db2.gz AHMXSOWTMBBBKM-SNVBAGLBSA-N -1 0 389.847 2.953 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1(c2cccc(Cl)c2)CC1 ZINC000826445308 608572435 /nfs/dbraw/zinc/57/24/35/608572435.db2.gz 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CCOc1ccc(C(=O)NN=Cc2cccc3c2N(C(=O)[O-])CC3)cc1OC ZINC000827428573 603820588 /nfs/dbraw/zinc/82/05/88/603820588.db2.gz VWQNPQAGVDVWLC-UHFFFAOYSA-N -1 0 383.404 2.898 20 50 GFGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)c3cc(Br)c[nH]3)c21 ZINC000831735831 603821375 /nfs/dbraw/zinc/82/13/75/603821375.db2.gz BPQSCUWEIWEZBM-UHFFFAOYSA-N -1 0 377.198 2.582 20 50 GFGDRM Cc1cccc(NC(=S)NNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000830521068 604119391 /nfs/dbraw/zinc/11/93/91/604119391.db2.gz BLLVQVVTXNWMIK-LQDVMPOASA-N -1 0 376.482 2.624 20 50 GFGDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NNC(=O)c2cccc3ccccc32)C1 ZINC000825229733 604279534 /nfs/dbraw/zinc/27/95/34/604279534.db2.gz UTOFYMACNWKZHN-UKRRQHHQSA-N -1 0 384.436 2.562 20 50 GFGDRM CCc1[nH]c(C(=O)NNC(=O)CCSc2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC000830196997 604367859 /nfs/dbraw/zinc/36/78/59/604367859.db2.gz PDPQNLHPRQNYQM-UHFFFAOYSA-N -1 0 393.440 2.666 20 50 GFGDRM CCOc1ccc(/C=C(\C#N)C(=O)NNc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000833664524 604647945 /nfs/dbraw/zinc/64/79/45/604647945.db2.gz WIKOMHMBBXMDCY-XNTDXEJSSA-N -1 0 381.388 2.842 20 50 GFGDRM CCCOc1c(Cl)cc(C(=O)NNc2ccc(C(=O)[O-])cn2)cc1OC ZINC000833651896 604800989 /nfs/dbraw/zinc/80/09/89/604800989.db2.gz GMHFTKCPUZCYCA-UHFFFAOYSA-N -1 0 379.800 2.988 20 50 GFGDRM COc1cccc(NCC(=O)NN=Cc2cccc3c2N(C(=O)[O-])CCC3)c1 ZINC000829572276 604827280 /nfs/dbraw/zinc/82/72/80/604827280.db2.gz XLUCRUONKAXNHF-UHFFFAOYSA-N -1 0 382.420 2.688 20 50 GFGDRM O=C([O-])NCC(=O)NN=Cc1sc(Nc2ccccc2Cl)nc1Cl ZINC000834202039 605390064 /nfs/dbraw/zinc/39/00/64/605390064.db2.gz QXSRYQGWOOZKTD-UHFFFAOYSA-N -1 0 388.236 2.911 20 50 GFGDRM COc1ccc2[nH]c(=NNC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c(C)cc2c1 ZINC000833734969 605413010 /nfs/dbraw/zinc/41/30/10/605413010.db2.gz OMLOIMKTRSAJSE-UHFFFAOYSA-N -1 0 396.359 2.915 20 50 GFGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NNc2ccccc2Cl)cc1 ZINC000833420104 605482207 /nfs/dbraw/zinc/48/22/07/605482207.db2.gz YUFZIVJSAMMMBM-UHFFFAOYSA-N -1 0 375.812 2.784 20 50 GFGDRM CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000833448733 605482232 /nfs/dbraw/zinc/48/22/32/605482232.db2.gz FAMOXMWYJILYFS-UHFFFAOYSA-N -1 0 384.436 2.834 20 50 GFGDRM O=C([O-])Nc1ccc(NC(=O)C(=O)NNc2ccccc2C(F)(F)F)cc1 ZINC000834262482 605587354 /nfs/dbraw/zinc/58/73/54/605587354.db2.gz KSBUOKQVHUZCGI-UHFFFAOYSA-N -1 0 382.298 2.877 20 50 GFGDRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NNc1cccc(Br)c1 ZINC000834150990 605715951 /nfs/dbraw/zinc/71/59/51/605715951.db2.gz SOROYEXBZATADH-CQSZACIVSA-N -1 0 378.226 2.771 20 50 GFGDRM CCCn1c(C)cc(C=C(C#N)C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1C ZINC000825353188 607998521 /nfs/dbraw/zinc/99/85/21/607998521.db2.gz SPJOLWBRSHCGNR-SXGWCWSVSA-N -1 0 391.435 2.946 20 50 GFGDRM O=C(CCCc1c[nH]c2ccccc12)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826406860 608578965 /nfs/dbraw/zinc/57/89/65/608578965.db2.gz QKIQQOTVKLPVKL-UHFFFAOYSA-N -1 0 396.842 2.862 20 50 GFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)CCc2ccc3[nH]ccc3c2)o1 ZINC000824358926 608583658 /nfs/dbraw/zinc/58/36/58/608583658.db2.gz SDNDUMAQBUDAKR-UHFFFAOYSA-N -1 0 380.412 2.535 20 50 GFGDRM COc1ccc(OCC(=O)NN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000832439334 600734567 /nfs/dbraw/zinc/73/45/67/600734567.db2.gz QYBANDFCGITMNW-MRXNPFEDSA-N -1 0 399.230 2.828 20 50 GFGDRM Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832886707 600870492 /nfs/dbraw/zinc/87/04/92/600870492.db2.gz IRECDVVGRTYXGE-ZIAGYGMSSA-N -1 0 396.871 2.846 20 50 GFGDRM CC[C@](C)(CC(=O)[O-])NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C ZINC000828611993 601133127 /nfs/dbraw/zinc/13/31/27/601133127.db2.gz LHLQUSGCJHLZEP-KBLPUMHJSA-N -1 0 387.480 2.951 20 50 GFGDRM Cc1cc(/C=C(/C#N)C(=O)NC2(CC(=O)[O-])CCC2)c(C)n1C[C@H]1CCCO1 ZINC000832880296 601452843 /nfs/dbraw/zinc/45/28/43/601452843.db2.gz AWQAOKKCAZZIMO-DAIOKFOQSA-N -1 0 385.464 2.705 20 50 GFGDRM COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1C ZINC000831800193 601749535 /nfs/dbraw/zinc/74/95/35/601749535.db2.gz HHJMFPCBXYHJEK-TVNWYLLRSA-N -1 0 387.480 2.808 20 50 GFGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000827304159 602068803 /nfs/dbraw/zinc/06/88/03/602068803.db2.gz PVMJGFIJDBYIIE-LBPRGKRZSA-N -1 0 390.823 2.791 20 50 GFGDRM C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)cc1)C(=O)[O-] ZINC000827884298 602111702 /nfs/dbraw/zinc/11/17/02/602111702.db2.gz BBHHAWHGMQROBF-JYVXZMADSA-N -1 0 382.338 2.999 20 50 GFGDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNC(=O)CCc1ccccc1 ZINC000829187160 602791186 /nfs/dbraw/zinc/79/11/86/602791186.db2.gz DWADAICVCSPKTP-UHFFFAOYSA-N -1 0 391.811 2.832 20 50 GFGDRM O=C([O-])NC[C@H](C(=O)NNC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000832408067 602988530 /nfs/dbraw/zinc/98/85/30/602988530.db2.gz NQWFNJRPPAWDNB-SFHVURJKSA-N -1 0 377.400 2.652 20 50 GFGDRM O=C([O-])N1CCC[C@@H]1CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000831339303 603448564 /nfs/dbraw/zinc/44/85/64/603448564.db2.gz GKSSZKMULWOQMW-SECBINFHSA-N -1 0 376.291 2.589 20 50 GFGDRM COc1cc(OC)c(NC(=O)NN=Cc2ccc(NC(=O)[O-])nc2)cc1Cl ZINC000829204843 603486924 /nfs/dbraw/zinc/48/69/24/603486924.db2.gz XACJGUZTGOJGOU-UHFFFAOYSA-N -1 0 393.787 2.998 20 50 GFGDRM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NNc1c(F)c(F)nc(F)c1F ZINC000832358147 603940706 /nfs/dbraw/zinc/94/07/06/603940706.db2.gz IMJASYFGVPIKLP-SFYZADRCSA-N -1 0 378.326 2.688 20 50 GFGDRM C[C@@H](CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824672451 604284387 /nfs/dbraw/zinc/28/43/87/604284387.db2.gz XGLQMLBSNJXNCB-YIKIYTBXSA-N -1 0 391.512 2.766 20 50 GFGDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000826102878 604517627 /nfs/dbraw/zinc/51/76/27/604517627.db2.gz KOIFUJQSKVHVAU-KRWDZBQOSA-N -1 0 394.431 2.964 20 50 GFGDRM COc1ccccc1-c1cc(C(=O)NN=C(C)c2ccc(C(=O)[O-])cc2)[nH]n1 ZINC000832577040 604641876 /nfs/dbraw/zinc/64/18/76/604641876.db2.gz CJZDZCCGVCCBSW-UHFFFAOYSA-N -1 0 378.388 2.938 20 50 GFGDRM CC(C)(C)OC(=O)N(CC(=O)NNc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000833435011 604804569 /nfs/dbraw/zinc/80/45/69/604804569.db2.gz SBYKJNUMPOSHGU-UHFFFAOYSA-N -1 0 386.408 2.665 20 50 GFGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(F)cc1Br ZINC000833407999 605040550 /nfs/dbraw/zinc/04/05/50/605040550.db2.gz VHWGTFNSAJGPGZ-SECBINFHSA-N -1 0 382.189 2.799 20 50 GFGDRM CC(C)(C)OC(=O)N1CCC(CC(=O)NNc2ccccc2C(=O)[O-])CC1 ZINC000833435749 605257631 /nfs/dbraw/zinc/25/76/31/605257631.db2.gz SRRDYXGFUIELDS-UHFFFAOYSA-N -1 0 377.441 2.865 20 50 GFGDRM O=C([O-])N1CCC(NC(=O)NN=Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000831736913 605467150 /nfs/dbraw/zinc/46/71/50/605467150.db2.gz XVMWEJFHZKYFHT-UHFFFAOYSA-N -1 0 376.310 2.620 20 50 GFGDRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)C(=O)NNc2ncccc2Cl)s1 ZINC000833446973 605482102 /nfs/dbraw/zinc/48/21/02/605482102.db2.gz UNZRICPRFYBHNG-UHFFFAOYSA-N -1 0 396.856 2.874 20 50 GFGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NNc2ccc(F)c(F)c2F)cc1 ZINC000833419242 605482269 /nfs/dbraw/zinc/48/22/69/605482269.db2.gz PXATZHOECVQKGD-UHFFFAOYSA-N -1 0 395.337 2.548 20 50 GFGDRM CC(C)(C)OCc1ccc(NC(=O)C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833445881 605485276 /nfs/dbraw/zinc/48/52/76/605485276.db2.gz RVDKXIBCOCTQCR-UHFFFAOYSA-N -1 0 385.420 2.782 20 50 GFGDRM CCS(=O)(=O)Nc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1C ZINC000833665791 605711869 /nfs/dbraw/zinc/71/18/69/605711869.db2.gz OBPOOZZEEIIKJW-UHFFFAOYSA-N -1 0 392.437 2.603 20 50 GFGDRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCC1=NNC(=O)c1nnc(-c2ccccc2)o1 ZINC000834044720 605722635 /nfs/dbraw/zinc/72/26/35/605722635.db2.gz HPBFDVWHVDBDMY-HIFRSBDPSA-N -1 0 383.408 2.765 20 50 GFGDRM CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833443045 605737163 /nfs/dbraw/zinc/73/71/63/605737163.db2.gz YBCHENHHXQVQDZ-AWEZNQCLSA-N -1 0 395.481 2.571 20 50 GFGDRM Cc1ccc(CCCC(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)s1 ZINC000826287304 608574614 /nfs/dbraw/zinc/57/46/14/608574614.db2.gz JXARLMSQMLCJQB-UHFFFAOYSA-N -1 0 377.861 2.751 20 50 GFGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)NCC2(C(=O)[O-])CCCC2)c1C ZINC000831651031 601600924 /nfs/dbraw/zinc/60/09/24/601600924.db2.gz PVJURSAQQGSLQB-PACYTGELSA-N -1 0 387.480 2.981 20 50 GFGDRM COC[C@](C)(NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C)C(=O)[O-] ZINC000831589889 601820079 /nfs/dbraw/zinc/82/00/79/601820079.db2.gz ANGDOPNIXIYBHD-YZILGEIOSA-N -1 0 375.469 2.664 20 50 GFGDRM N#Cc1ccc(OCC(=O)NN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000833072136 601971056 /nfs/dbraw/zinc/97/10/56/601971056.db2.gz VYSZZCNQRDCLEI-INIZCTEOSA-N -1 0 394.214 2.691 20 50 GFGDRM C[C@H](CC(=O)[O-])C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000827303679 602265985 /nfs/dbraw/zinc/26/59/85/602265985.db2.gz HZDUQKQHUKQUJH-ZCFIWIBFSA-N -1 0 383.779 2.787 20 50 GFGDRM C[C@@H](CC(=O)NNc1ccc(Br)cc1C(F)(F)F)NC(=O)[O-] ZINC000824680178 602898469 /nfs/dbraw/zinc/89/84/69/602898469.db2.gz SJTSBRQUSGVRPU-LURJTMIESA-N -1 0 384.152 2.957 20 50 GFGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000832277182 603435503 /nfs/dbraw/zinc/43/55/03/603435503.db2.gz GMZWKODSQOGQRU-STQMWFEESA-N -1 0 379.482 2.604 20 50 GFGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000832280896 603435999 /nfs/dbraw/zinc/43/59/99/603435999.db2.gz XAALNUSDAMGOOL-WCQYABFASA-N -1 0 391.424 2.752 20 50 GFGDRM O=C([O-])N1CCC[C@H]1CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000831339304 603448964 /nfs/dbraw/zinc/44/89/64/603448964.db2.gz GKSSZKMULWOQMW-VIFPVBQESA-N -1 0 376.291 2.589 20 50 GFGDRM O=C([O-])NC[C@H](C(=O)NNC(=O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000832409108 603487256 /nfs/dbraw/zinc/48/72/56/603487256.db2.gz XVELYGFOLLCDEO-IBGZPJMESA-N -1 0 391.427 2.581 20 50 GFGDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNC(=O)c1ccc(C)cc1O ZINC000829186931 603497569 /nfs/dbraw/zinc/49/75/69/603497569.db2.gz ADDPZBWWZPIZKX-UHFFFAOYSA-N -1 0 393.783 2.527 20 50 GFGDRM CCCCn1c(C)cc(C=C(C#N)C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)c1C ZINC000826852465 603626248 /nfs/dbraw/zinc/62/62/48/603626248.db2.gz ATWLWIPSHULNIV-CFINBHSISA-N -1 0 387.436 2.677 20 50 GFGDRM O=C([O-])N[C@H](CCC(=O)NNc1nc(=O)c2ccccc2[nH]1)c1ccccc1 ZINC000832122116 604005090 /nfs/dbraw/zinc/00/50/90/604005090.db2.gz ZMNOHKHJHWYALY-CQSZACIVSA-N -1 0 381.392 2.568 20 50 GFGDRM O=C([O-])NC[C@@H](C(=O)NNc1ccc(-c2ccccc2)nn1)c1ccccc1 ZINC000832407121 604103900 /nfs/dbraw/zinc/10/39/00/604103900.db2.gz GCUQZPBEYVROHD-MRXNPFEDSA-N -1 0 377.404 2.638 20 50 GFGDRM C[C@@H](CC(=O)NNC(=O)CCCc1cccs1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824671482 604351815 /nfs/dbraw/zinc/35/18/15/604351815.db2.gz HRAPUIXTOGGTGT-UONOGXRCSA-N -1 0 381.498 2.634 20 50 GFGDRM CCc1ccc(C(=O)NNC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000827577515 604439532 /nfs/dbraw/zinc/43/95/32/604439532.db2.gz OIYYKFOOAMUDNS-CYBMUJFWSA-N -1 0 384.436 2.722 20 50 GFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(C(=O)[O-])CCSCC2)c1C ZINC000833653285 604861622 /nfs/dbraw/zinc/86/16/22/604861622.db2.gz YQKUMWIQDHVBRY-LFIBNONCSA-N -1 0 375.494 2.889 20 50 GFGDRM O=C([O-])N1CCSC[C@@H]1CC(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC000831414754 605331124 /nfs/dbraw/zinc/33/11/24/605331124.db2.gz SAINUSRLYCXPND-JTQLQIEISA-N -1 0 379.360 2.514 20 50 GFGDRM O=C([O-])N[C@@H](CC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000834126184 605628729 /nfs/dbraw/zinc/62/87/29/605628729.db2.gz ILCNNNKWBVFYPE-IBGZPJMESA-N -1 0 391.427 2.929 20 50 GFGDRM N#C/C(=C/c1ccc(F)cc1)C(=O)NCCCN(Cc1cccnc1)C(=O)[O-] ZINC000833960411 605647174 /nfs/dbraw/zinc/64/71/74/605647174.db2.gz KDUMQNZPHFTVKE-BOPFTXTBSA-N -1 0 382.395 2.814 20 50 GFGDRM O=C([O-])N1CCC(C(=O)NNc2ccc([N+](=O)[O-])cc2)(c2ccccc2)CC1 ZINC000834072942 605714836 /nfs/dbraw/zinc/71/48/36/605714836.db2.gz DUPDAKVJQYUAFL-UHFFFAOYSA-N -1 0 384.392 2.750 20 50 GFGDRM O=C([O-])N1CCSC[C@H]1CC(=O)NNc1ccc(F)cc1Br ZINC000833987496 605716893 /nfs/dbraw/zinc/71/68/93/605716893.db2.gz IGZYWVHIAUEPER-SECBINFHSA-N -1 0 392.250 2.517 20 50 GFGDRM O=C([O-])Nc1ccccc1C(=O)NNc1c(F)cc(C(=O)NC2CC2)cc1F ZINC000834270001 605740100 /nfs/dbraw/zinc/74/01/00/605740100.db2.gz LYTTZGBAUJUZJP-UHFFFAOYSA-N -1 0 390.346 2.704 20 50 GFGDRM O=C([O-])N[C@@H](CC(=O)OCCCI)c1ccccc1 ZINC000834126704 605865028 /nfs/dbraw/zinc/86/50/28/605865028.db2.gz DHMAHGPRNAVBHM-NSHDSACASA-N -1 0 377.178 2.754 20 50 GFGDRM O=C([O-])NCc1nc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cs1 ZINC000834248880 606001911 /nfs/dbraw/zinc/00/19/11/606001911.db2.gz KTDBDRIQKCTPLR-UHFFFAOYSA-N -1 0 378.307 2.826 20 50 GFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)c2cc(Cl)c(N)c(Cl)c2)o1 ZINC000824358439 608120348 /nfs/dbraw/zinc/12/03/48/608120348.db2.gz KBYSSFPEYWLVTJ-UHFFFAOYSA-N -1 0 397.226 2.624 20 50 GFGDRM N#CC(=Cc1cccc(OCCC(=O)[O-])c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378926 608215402 /nfs/dbraw/zinc/21/54/02/608215402.db2.gz DYDNVUIXJDQQCR-SXGWCWSVSA-N -1 0 389.371 2.510 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1c[nH]cc1-c1ccccc1 ZINC000826445964 608572577 /nfs/dbraw/zinc/57/25/77/608572577.db2.gz SNQJVXSQUBAIRX-UHFFFAOYSA-N -1 0 380.799 2.667 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1[nH]c2ccccc2c1Cl ZINC000826445624 608572618 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Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000833016843 600935228 /nfs/dbraw/zinc/93/52/28/600935228.db2.gz KFBJBLQVHLLVJW-AWEZNQCLSA-N -1 0 381.835 2.551 20 50 GFGDRM O=C([O-])c1cc(OC(=O)Cc2ccc(NC(=O)C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000833118405 600974136 /nfs/dbraw/zinc/97/41/36/600974136.db2.gz JYPXAKPWRWSHBP-UHFFFAOYSA-N -1 0 384.344 2.790 20 50 GFGDRM N#Cc1cccc([C@@H](NNC(=O)c2ccc(F)cc2Br)C(=O)[O-])c1 ZINC000833076247 601302638 /nfs/dbraw/zinc/30/26/38/601302638.db2.gz SQSFGUSHWDEARD-CQSZACIVSA-N -1 0 392.184 2.520 20 50 GFGDRM CC[C@@H](C(=O)NNC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)c1ccccc1 ZINC000828587616 601562926 /nfs/dbraw/zinc/56/29/26/601562926.db2.gz VKCBUWPFPPRZCV-QGZVFWFLSA-N -1 0 384.432 2.722 20 50 GFGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCOC[C@H]2C(=O)[O-])c(C)n1C1CCCCC1 ZINC000832881070 601609421 /nfs/dbraw/zinc/60/94/21/601609421.db2.gz KQKMCSLZJWUJDU-XGHXRCDJSA-N -1 0 385.464 2.829 20 50 GFGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCOC[C@H]2C(=O)[O-])c(C)n1-c1ccccc1C ZINC000832976226 601609710 /nfs/dbraw/zinc/60/97/10/601609710.db2.gz JLGUCSFSEOGSKL-OLROSQPISA-N -1 0 393.443 2.622 20 50 GFGDRM Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2F)cc(C)c1OCC(=O)[O-] ZINC000832864573 601618674 /nfs/dbraw/zinc/61/86/74/601618674.db2.gz NYOZQHFVXVRHRV-UHFFFAOYSA-N -1 0 394.786 2.634 20 50 GFGDRM COc1cc(OC)cc([C@H](NNC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)[O-])c1 ZINC000832058275 602164949 /nfs/dbraw/zinc/16/49/49/602164949.db2.gz XWWNTKWPMYTHOQ-GZDOSPBESA-N -1 0 388.464 2.667 20 50 GFGDRM Cc1cccc(NC(=S)NNC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)c1C ZINC000830521391 603448838 /nfs/dbraw/zinc/44/88/38/603448838.db2.gz GSGWMJKFDGOEMK-HNNXBMFYSA-N -1 0 386.477 2.672 20 50 GFGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNc2ccc(Br)cc2Cl)C1 ZINC000832276880 603567410 /nfs/dbraw/zinc/56/74/10/603567410.db2.gz DZCTZEJWILYYMR-APPZFPTMSA-N -1 0 376.638 2.982 20 50 GFGDRM CCCCn1c(C)cc(C=C(C#N)C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)c1C ZINC000826852477 603626254 /nfs/dbraw/zinc/62/62/54/603626254.db2.gz ATWLWIPSHULNIV-GANRHZMWSA-N -1 0 387.436 2.677 20 50 GFGDRM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc2ccccc21 ZINC000832512570 603820820 /nfs/dbraw/zinc/82/08/20/603820820.db2.gz FVYIPMFTZFPKRT-RHSMWYFYSA-N -1 0 384.436 2.610 20 50 GFGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)c3cnn(-c4ccccc4)c3)c21 ZINC000831736555 603823657 /nfs/dbraw/zinc/82/36/57/603823657.db2.gz OXVNMKAXQINHEE-UHFFFAOYSA-N -1 0 375.388 2.677 20 50 GFGDRM Cc1ccc(NC(=O)NNC(=O)NCCCN(C(=O)[O-])C2CC2)c(Cl)c1 ZINC000830390402 604006931 /nfs/dbraw/zinc/00/69/31/604006931.db2.gz QCVXKXFGCRGYGP-UHFFFAOYSA-N -1 0 383.836 2.517 20 50 GFGDRM Cc1cccc(NC(=S)NNC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000830521751 604031321 /nfs/dbraw/zinc/03/13/21/604031321.db2.gz LLFWSOXBYOASGH-INIZCTEOSA-N -1 0 386.477 2.582 20 50 GFGDRM C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833539181 604665163 /nfs/dbraw/zinc/66/51/63/604665163.db2.gz LLGLDEOGEJNFLM-AWEZNQCLSA-N -1 0 392.411 2.695 20 50 GFGDRM Cc1ccccc1-n1nc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)c2c1CCC2 ZINC000833753422 604803812 /nfs/dbraw/zinc/80/38/12/604803812.db2.gz VAGVENOPGIGYIZ-UHFFFAOYSA-N -1 0 377.404 2.520 20 50 GFGDRM CCc1csc(-n2cc(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cn2)n1 ZINC000833676658 605005146 /nfs/dbraw/zinc/00/51/46/605005146.db2.gz QUTPTTRGZMXSJI-UHFFFAOYSA-N -1 0 388.361 2.717 20 50 GFGDRM CN1C(=O)C[C@H](C(=O)NNc2ccccc2C(=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000833697197 605260983 /nfs/dbraw/zinc/26/09/83/605260983.db2.gz CDOVNONJBVKAFX-WMLDXEAASA-N -1 0 387.823 2.701 20 50 GFGDRM CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccccc1OCC(=O)[O-] ZINC000833384355 605323130 /nfs/dbraw/zinc/32/31/30/605323130.db2.gz HOKPIILNVOVXCB-UHFFFAOYSA-N -1 0 376.796 2.723 20 50 GFGDRM COc1ccccc1-c1cc(C(=O)NN=C(C)C[C@H]2CCCN2C(=O)[O-])[nH]n1 ZINC000829579407 605470377 /nfs/dbraw/zinc/47/03/77/605470377.db2.gz AOWTVXGTFIBFQN-CYBMUJFWSA-N -1 0 385.424 2.724 20 50 GFGDRM CCN(c1ccc(NC(=O)C(=O)NNc2cccc(C(=O)[O-])c2)cc1)C(C)C ZINC000833654881 605486443 /nfs/dbraw/zinc/48/64/43/605486443.db2.gz KNVWBAHCTFODQR-UHFFFAOYSA-N -1 0 384.436 2.701 20 50 GFGDRM CC(=NNC(=O)NCC(=O)[O-])c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000833385112 605587030 /nfs/dbraw/zinc/58/70/30/605587030.db2.gz SJCCCCJQQYFNMW-UHFFFAOYSA-N -1 0 384.223 2.595 20 50 GFGDRM O=C([O-])N[C@@H](CC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000832106378 605590660 /nfs/dbraw/zinc/59/06/60/605590660.db2.gz YIVNMDPAXOVSGE-SFHVURJKSA-N -1 0 377.400 3.000 20 50 GFGDRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000834150306 605737332 /nfs/dbraw/zinc/73/73/32/605737332.db2.gz NWEWYEVPWMDBDX-AWEZNQCLSA-N -1 0 378.772 2.570 20 50 GFGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(N2CCOC2=O)c1 ZINC000833522193 605741595 /nfs/dbraw/zinc/74/15/95/605741595.db2.gz YLBUSSNOWNOKAZ-LBPRGKRZSA-N -1 0 384.392 2.729 20 50 GFGDRM CC(C)(C)OC(=O)NC1CCC(NC(=O)NNc2cccc(C(=O)[O-])c2)CC1 ZINC000833441547 605742866 /nfs/dbraw/zinc/74/28/66/605742866.db2.gz UAXQXFJDQWSHTC-UHFFFAOYSA-N -1 0 392.456 2.847 20 50 GFGDRM O=C([O-])NCCCC(=O)NNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000834228978 605980997 /nfs/dbraw/zinc/98/09/97/605980997.db2.gz WEUYZAOYAHHQHH-UHFFFAOYSA-N -1 0 388.251 2.610 20 50 GFGDRM C[C@@H](C(=O)NNc1ccc(C(F)(F)F)nn1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000833789419 606032608 /nfs/dbraw/zinc/03/26/08/606032608.db2.gz JQJLZVWLRVQKSV-RNCFNFMXSA-N -1 0 383.330 2.584 20 50 GFGDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)c1c(Cl)cccc1Cl ZINC000833833315 606033906 /nfs/dbraw/zinc/03/39/06/606033906.db2.gz ZWLBFCIQFRQHFT-ABKXIKBNSA-N -1 0 388.251 2.971 20 50 GFGDRM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)nn1 ZINC000834183487 606034436 /nfs/dbraw/zinc/03/44/36/606034436.db2.gz LSBGBHJARZXGAW-ZJUUUORDSA-N -1 0 375.351 2.545 20 50 GFGDRM COc1ccc(Br)c(C(=O)NN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832143230 600746956 /nfs/dbraw/zinc/74/69/56/600746956.db2.gz YQMBTYHJEIXUMC-CQSZACIVSA-N -1 0 397.200 2.657 20 50 GFGDRM O=C([O-])NNC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 ZINC000833280683 601129997 /nfs/dbraw/zinc/12/99/97/601129997.db2.gz PBEUKBGZORRPOV-UHFFFAOYSA-N -1 0 380.763 2.713 20 50 GFGDRM CC[C@](C)(CC(=O)[O-])NC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C ZINC000828612312 601133202 /nfs/dbraw/zinc/13/32/02/601133202.db2.gz STTKEQQZKZSJBQ-PLBGSDSBSA-N -1 0 375.469 2.979 20 50 GFGDRM N#Cc1cccc([C@@H](NNC(=O)c2cc(F)ccc2Br)C(=O)[O-])c1 ZINC000833075166 601304665 /nfs/dbraw/zinc/30/46/65/601304665.db2.gz IKVYXPQCADBEIS-CQSZACIVSA-N -1 0 392.184 2.520 20 50 GFGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1C ZINC000831800192 601749720 /nfs/dbraw/zinc/74/97/20/601749720.db2.gz HHJMFPCBXYHJEK-OVCORXIESA-N -1 0 387.480 2.808 20 50 GFGDRM CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)[O-] ZINC000828905686 601750403 /nfs/dbraw/zinc/75/04/03/601750403.db2.gz AOSYLRKDSUFEQM-JVCXIRSZSA-N -1 0 381.432 2.989 20 50 GFGDRM N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000833063298 601790471 /nfs/dbraw/zinc/79/04/71/601790471.db2.gz HVBBIYRHHNCDEC-QDEBKDIKSA-N -1 0 396.384 2.793 20 50 GFGDRM COc1ccc(OCC(=O)NN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000832439094 601971204 /nfs/dbraw/zinc/97/12/04/601971204.db2.gz ILBIVSCQTVTPCC-INIZCTEOSA-N -1 0 399.230 2.828 20 50 GFGDRM C[C@H](Oc1ccc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)cc1)C(=O)[O-] ZINC000827884300 602111831 /nfs/dbraw/zinc/11/18/31/602111831.db2.gz BBHHAWHGMQROBF-LFTLCWSBSA-N -1 0 382.338 2.999 20 50 GFGDRM O=C([O-])Nc1cc(C(=O)NNc2ncccc2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000833281757 602145008 /nfs/dbraw/zinc/14/50/08/602145008.db2.gz NVUBCAIXFGQUFR-UHFFFAOYSA-N -1 0 385.258 2.855 20 50 GFGDRM COc1cc(OC)cc([C@H](NNC(=O)c2cc(C)nc3ccccc32)C(=O)[O-])c1 ZINC000832063812 602165900 /nfs/dbraw/zinc/16/59/00/602165900.db2.gz ALVVOZHALFWMAR-IBGZPJMESA-N -1 0 395.415 2.621 20 50 GFGDRM C[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCC2)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823705467 603224890 /nfs/dbraw/zinc/22/48/90/603224890.db2.gz 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C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccc(C(=O)[O-])c(F)c3)cc2C1 ZINC000828310867 604805835 /nfs/dbraw/zinc/80/58/35/604805835.db2.gz PVIRVSDMDCDTJM-SECBINFHSA-N -1 0 376.409 2.785 20 50 GFGDRM Cc1ccc(NC(=O)C(=O)NN=Cc2cccc3c2N(C(=O)[O-])CCC3)cc1 ZINC000830352707 604827584 /nfs/dbraw/zinc/82/75/84/604827584.db2.gz IFCWPRKOVYIDNQ-UHFFFAOYSA-N -1 0 380.404 2.514 20 50 GFGDRM N#Cc1ccc(NNC(=O)C[C@@H]2CSCCN2C(=O)[O-])cc1C(F)(F)F ZINC000831136652 605324310 /nfs/dbraw/zinc/32/43/10/605324310.db2.gz GIVIEGNPSRBRHW-LLVKDONJSA-N -1 0 388.371 2.506 20 50 GFGDRM CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)c1cc(Br)ccc1O ZINC000824760535 605466052 /nfs/dbraw/zinc/46/60/52/605466052.db2.gz VWGMILVYWSZCJC-LLVKDONJSA-N -1 0 384.230 2.793 20 50 GFGDRM N#Cc1cc(Cl)nc(NNC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000833970540 605548370 /nfs/dbraw/zinc/54/83/70/605548370.db2.gz PZWUOVJUMSJHPB-ZDUSSCGKSA-N -1 0 380.191 2.712 20 50 GFGDRM O=C([O-])NC[C@H](NC(=O)NNC(=O)c1ccccc1)c1ccc2ccccc2c1 ZINC000834208758 605669945 /nfs/dbraw/zinc/66/99/45/605669945.db2.gz ZVIWAAKIHWUEOY-SFHVURJKSA-N -1 0 392.415 2.793 20 50 GFGDRM CCS(=O)(=O)c1ccc(Cl)c(C(=O)NNc2ccccc2C(=O)[O-])c1 ZINC000833666252 605722567 /nfs/dbraw/zinc/72/25/67/605722567.db2.gz RHTKDIQBYDLIFS-UHFFFAOYSA-N -1 0 382.825 2.589 20 50 GFGDRM O=C([O-])NCCCC(=O)NNC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000834232415 605810276 /nfs/dbraw/zinc/81/02/76/605810276.db2.gz PKBSQCHSCLXOSI-KRWDZBQOSA-N -1 0 376.457 2.686 20 50 GFGDRM O=C([O-])N1CCC(NC(=O)NN=Cc2c(Cl)ccc3cccnc32)CC1 ZINC000834045003 605856392 /nfs/dbraw/zinc/85/63/92/605856392.db2.gz KRYMMAVUORIETO-UHFFFAOYSA-N -1 0 375.816 2.664 20 50 GFGDRM O=C([O-])Nc1ccccc1CC(=O)NNC(=S)Nc1cccc(Cl)c1 ZINC000834271493 606082537 /nfs/dbraw/zinc/08/25/37/606082537.db2.gz AXAAQDQXJSXNAL-UHFFFAOYSA-N -1 0 378.841 2.990 20 50 GFGDRM Cc1cc2[nH]c(C(=O)NN=c3cc(-c4nnn[n-]4)cc(Cl)[nH]3)cc2c(C)c1 ZINC000826263484 608573366 /nfs/dbraw/zinc/57/33/66/608573366.db2.gz DBONVUNXFCSZKI-UHFFFAOYSA-N -1 0 382.815 2.770 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826445121 608575182 /nfs/dbraw/zinc/57/51/82/608575182.db2.gz HNSWXWXDGHVGFW-QJPTWQEYSA-N -1 0 375.864 2.965 20 50 GFGDRM COC(=O)c1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1C(=O)[O-] ZINC000831435031 600689389 /nfs/dbraw/zinc/68/93/89/600689389.db2.gz LIHQZYMWFLOHER-UHFFFAOYSA-N -1 0 397.836 2.754 20 50 GFGDRM O=C([O-])[C@H](NNC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1F ZINC000833114607 600733516 /nfs/dbraw/zinc/73/35/16/600733516.db2.gz NMWPAEWMZLJWRR-OAHLLOKOSA-N -1 0 387.194 2.958 20 50 GFGDRM COc1ccccc1OCC(=O)NN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832628045 600734445 /nfs/dbraw/zinc/73/44/45/600734445.db2.gz HFEXSRGXLRPCHV-INIZCTEOSA-N -1 0 399.230 2.828 20 50 GFGDRM Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000832920368 600870440 /nfs/dbraw/zinc/87/04/40/600870440.db2.gz CRVJDZBXQSQTDH-CABCVRRESA-N -1 0 376.453 2.536 20 50 GFGDRM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000832932681 600974052 /nfs/dbraw/zinc/97/40/52/600974052.db2.gz SXOGTOKWZVLRIL-KRWDZBQOSA-N -1 0 398.371 2.698 20 50 GFGDRM CCC(CC)(NC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)C(=O)[O-] ZINC000828820736 600976772 /nfs/dbraw/zinc/97/67/72/600976772.db2.gz RDYMEXWSOLYLLB-UWKDKTGGSA-N -1 0 387.480 2.951 20 50 GFGDRM C/C(=C\COC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1)C(=O)[O-] ZINC000825747270 601404612 /nfs/dbraw/zinc/40/46/12/601404612.db2.gz RJWOWFXLZOMUJL-SZLFEGQVSA-N -1 0 390.399 2.945 20 50 GFGDRM Cc1cc(/C=C(\C#N)C(=O)N2CCOC[C@@H]2C(=O)[O-])c(C)n1-c1ccccc1C ZINC000832976218 601609730 /nfs/dbraw/zinc/60/97/30/601609730.db2.gz JLGUCSFSEOGSKL-BUDOKORBSA-N -1 0 393.443 2.622 20 50 GFGDRM C[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823705457 603214193 /nfs/dbraw/zinc/21/41/93/603214193.db2.gz WKLCBTYUWAIRDK-XHDPSFHLSA-N -1 0 375.812 2.746 20 50 GFGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000832277180 603435318 /nfs/dbraw/zinc/43/53/18/603435318.db2.gz GMZWKODSQOGQRU-OLZOCXBDSA-N -1 0 379.482 2.604 20 50 GFGDRM Cc1nn(CCCl)c(C)c1C(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000830870057 603465931 /nfs/dbraw/zinc/46/59/31/603465931.db2.gz ASNVUOKICCIYCM-UHFFFAOYSA-N -1 0 382.892 2.733 20 50 GFGDRM C[C@H](C(=O)NNc1ccc(Br)nc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823703820 603614145 /nfs/dbraw/zinc/61/41/45/603614145.db2.gz PNPNKOVJGIHTGT-HZMBPMFUSA-N -1 0 393.241 2.932 20 50 GFGDRM CCc1ccc(-c2cc(C(=O)NNC(=O)c3ccc(NC(=O)[O-])cc3)[nH]n2)cc1 ZINC000830229388 604280864 /nfs/dbraw/zinc/28/08/64/604280864.db2.gz SAFWNMHRGLQPHG-UHFFFAOYSA-N -1 0 393.403 2.804 20 50 GFGDRM C[C@H](CC(=O)NNC(=O)C(C)(C)c1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824671992 604344439 /nfs/dbraw/zinc/34/44/39/604344439.db2.gz OZYAYFDVXNNCRE-CABCVRRESA-N -1 0 375.469 2.528 20 50 GFGDRM C[C@H](CC(=O)NNC(=O)CCCc1cccs1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824671480 604351755 /nfs/dbraw/zinc/35/17/55/604351755.db2.gz HRAPUIXTOGGTGT-KGLIPLIRSA-N -1 0 381.498 2.634 20 50 GFGDRM C[C@H](CC(=O)NNC(=O)c1ccc(Cl)cc1F)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824672400 604389770 /nfs/dbraw/zinc/38/97/70/604389770.db2.gz XAYQHBXFQDZZQP-MNOVXSKESA-N -1 0 385.823 2.656 20 50 GFGDRM CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833441332 605131509 /nfs/dbraw/zinc/13/15/09/605131509.db2.gz RQOMNZINKWWIDG-BFUOFWGJSA-N -1 0 392.456 2.697 20 50 GFGDRM O=C([O-])N1CCC[C@@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000831735819 605168752 /nfs/dbraw/zinc/16/87/52/605168752.db2.gz BGQCHQIMZRWWFG-GFCCVEGCSA-N -1 0 391.424 2.705 20 50 GFGDRM CCN(CC)C(=O)N1CCC(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000833653823 605247875 /nfs/dbraw/zinc/24/78/75/605247875.db2.gz JUDOLAPPKQTNKD-UHFFFAOYSA-N -1 0 396.875 2.655 20 50 GFGDRM O=C([O-])NCC(=O)NN=Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000834200973 605387131 /nfs/dbraw/zinc/38/71/31/605387131.db2.gz DWUTYIXXHLXARM-UHFFFAOYSA-N -1 0 392.755 2.758 20 50 GFGDRM CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)c1cc(Br)ccc1O ZINC000824760537 605465849 /nfs/dbraw/zinc/46/58/49/605465849.db2.gz VWGMILVYWSZCJC-NSHDSACASA-N -1 0 384.230 2.793 20 50 GFGDRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1nnc(-c2ccccc2)o1 ZINC000834044722 605722702 /nfs/dbraw/zinc/72/27/02/605722702.db2.gz HPBFDVWHVDBDMY-UKRRQHHQSA-N -1 0 383.408 2.765 20 50 GFGDRM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833635644 605774765 /nfs/dbraw/zinc/77/47/65/605774765.db2.gz YQFIVXCMJXMIDH-BXUZGUMPSA-N -1 0 393.440 2.588 20 50 GFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)c2cccc([C@H]3CCCOC3)c2)o1 ZINC000824359549 608340074 /nfs/dbraw/zinc/34/00/74/608340074.db2.gz WVKQGFOHBCGCFQ-AWEZNQCLSA-N -1 0 397.439 2.629 20 50 GFGDRM COCc1c2ccccc2oc1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826164327 608578660 /nfs/dbraw/zinc/57/86/60/608578660.db2.gz RDGJSEOPYQVQCA-UHFFFAOYSA-N -1 0 399.798 2.565 20 50 GFGDRM O=C(CCc1cccc(Cl)c1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826408974 608579090 /nfs/dbraw/zinc/57/90/90/608579090.db2.gz CPMCUHSLTUMYID-UHFFFAOYSA-N -1 0 378.223 2.644 20 50 GFGDRM CC[C@H](Oc1cccc(C)c1)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825158903 608579374 /nfs/dbraw/zinc/57/93/74/608579374.db2.gz DMVGBWXWKLPRIG-ZDUSSCGKSA-N -1 0 387.831 2.524 20 50 GFGDRM O=C(C=Cc1ccc(Cl)s1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826401196 608625592 /nfs/dbraw/zinc/62/55/92/608625592.db2.gz RVWUTYUTTYYVHZ-DUXPYHPUSA-N -1 0 382.236 2.787 20 50 GFGDRM CCC(CC)(NC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C)C(=O)[O-] ZINC000828820770 600976748 /nfs/dbraw/zinc/97/67/48/600976748.db2.gz UCCWNESNGVUGKJ-FBJMNJBLSA-N -1 0 375.469 2.979 20 50 GFGDRM CC[C@](C)(CC(=O)[O-])NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C ZINC000828611991 601133158 /nfs/dbraw/zinc/13/31/58/601133158.db2.gz LHLQUSGCJHLZEP-GQQAKVJGSA-N -1 0 387.480 2.951 20 50 GFGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(CC(=O)[O-])CCCCC2)c1C ZINC000831801013 601271573 /nfs/dbraw/zinc/27/15/73/601271573.db2.gz VZWCMAGCSPGESZ-PDGQHHTCSA-N -1 0 387.480 2.952 20 50 GFGDRM CC(C)C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N1CCCCC1=O ZINC000826759861 601676660 /nfs/dbraw/zinc/67/66/60/601676660.db2.gz RZNITGKHXJESNY-OAHLLOKOSA-N -1 0 378.381 2.626 20 50 GFGDRM N#Cc1ccc(OCC(=O)NN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000833072138 601971025 /nfs/dbraw/zinc/97/10/25/601971025.db2.gz VYSZZCNQRDCLEI-MRXNPFEDSA-N -1 0 394.214 2.691 20 50 GFGDRM C[C@H](C(=O)NNC(=O)c1cccc2ncccc21)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823701137 602873505 /nfs/dbraw/zinc/87/35/05/602873505.db2.gz AEUHQUSAQDRCKH-UGSOOPFHSA-N -1 0 392.415 2.641 20 50 GFGDRM C[C@@H](C(=O)NNC(=O)c1ccc2ccccc2n1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823703038 603209299 /nfs/dbraw/zinc/20/92/99/603209299.db2.gz NJEQATOMRMTDQF-ACJLOTCBSA-N -1 0 392.415 2.641 20 50 GFGDRM C[C@H](C(=O)NNC(=O)c1ccc2ccccc2n1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823703044 603209410 /nfs/dbraw/zinc/20/94/10/603209410.db2.gz NJEQATOMRMTDQF-UGSOOPFHSA-N -1 0 392.415 2.641 20 50 GFGDRM C[C@H](C(=O)NNC(=O)c1c[nH]c2ccccc12)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823703451 603240012 /nfs/dbraw/zinc/24/00/12/603240012.db2.gz OLIWCCLOWLJIPV-YVEFUNNKSA-N -1 0 380.404 2.574 20 50 GFGDRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc2ccccc2c1 ZINC000832514785 603702080 /nfs/dbraw/zinc/70/20/80/603702080.db2.gz OFQGLFNTAWDWOH-DLBZAZTESA-N -1 0 384.436 2.610 20 50 GFGDRM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NNc1c(F)c(F)nc(F)c1F ZINC000832358146 603940479 /nfs/dbraw/zinc/94/04/79/603940479.db2.gz IMJASYFGVPIKLP-JGVFFNPUSA-N -1 0 378.326 2.688 20 50 GFGDRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NNC(=O)c2cccc3ccccc32)C1 ZINC000825229731 604279664 /nfs/dbraw/zinc/27/96/64/604279664.db2.gz UTOFYMACNWKZHN-DZGCQCFKSA-N -1 0 384.436 2.562 20 50 GFGDRM C[C@@H](CC(=O)NNc1ccc(Br)nc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824678412 604580497 /nfs/dbraw/zinc/58/04/97/604580497.db2.gz BRFSBXUJDIDVPA-QWRGUYRKSA-N -1 0 385.262 2.703 20 50 GFGDRM CCCc1c(C(=O)NNc2ccc(C(=O)OC)cc2OC)[nH]c(C)c1C(=O)[O-] ZINC000833652450 604647799 /nfs/dbraw/zinc/64/77/99/604647799.db2.gz BSZVTSYKOGJCKR-UHFFFAOYSA-N -1 0 389.408 2.526 20 50 GFGDRM O=C([O-])NCc1nc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cs1 ZINC000832734829 604771626 /nfs/dbraw/zinc/77/16/26/604771626.db2.gz ODAJTIFXTOLERP-UHFFFAOYSA-N -1 0 376.316 2.566 20 50 GFGDRM COc1ccc(C(=O)NN=Cc2cccc3c2N(C(=O)[O-])CCC3)c(OC)c1 ZINC000829284266 604827448 /nfs/dbraw/zinc/82/74/48/604827448.db2.gz HNUYFSYNCYOARD-UHFFFAOYSA-N -1 0 383.404 2.898 20 50 GFGDRM Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)c3ccc(C(=O)[O-])c(F)c3)[nH]n2)c1 ZINC000832923737 604833819 /nfs/dbraw/zinc/83/38/19/604833819.db2.gz CCFUFJINKITSHE-UHFFFAOYSA-N -1 0 396.378 2.606 20 50 GFGDRM O=C([O-])[C@H](NNC(=O)COc1ccccc1-c1ccccc1)c1cccnc1 ZINC000833114580 604987910 /nfs/dbraw/zinc/98/79/10/604987910.db2.gz HVGQPAXOYCKENA-HXUWFJFHSA-N -1 0 377.400 2.574 20 50 GFGDRM Cc1c(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)nnn1-c1cccc(C)c1 ZINC000833751983 605248373 /nfs/dbraw/zinc/24/83/73/605248373.db2.gz CWWYLZZWKDQYRC-UHFFFAOYSA-N -1 0 385.811 2.993 20 50 GFGDRM CC(C)(C)OC(=O)NCC1(C(=O)NNc2ccccc2C(=O)[O-])CCCC1 ZINC000833439763 605257593 /nfs/dbraw/zinc/25/75/93/605257593.db2.gz XUNNEIUOQZZDOY-UHFFFAOYSA-N -1 0 377.441 2.913 20 50 GFGDRM CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833447728 605485264 /nfs/dbraw/zinc/48/52/64/605485264.db2.gz RAAVIOLCTDPVIC-UHFFFAOYSA-N -1 0 389.383 2.783 20 50 GFGDRM O=C([O-])N(CC(=O)NNC(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000831558058 605595307 /nfs/dbraw/zinc/59/53/07/605595307.db2.gz MZEUSGXSGSHSDE-UHFFFAOYSA-N -1 0 377.400 2.714 20 50 GFGDRM O=C([O-])N[C@H](CC(=O)NNC(=O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000834126187 605628564 /nfs/dbraw/zinc/62/85/64/605628564.db2.gz ILCNNNKWBVFYPE-LJQANCHMSA-N -1 0 391.427 2.929 20 50 GFGDRM O=C([O-])N1CCSC[C@@H]1CC(=O)NNc1ccc(F)cc1Br ZINC000833987497 605716673 /nfs/dbraw/zinc/71/66/73/605716673.db2.gz IGZYWVHIAUEPER-VIFPVBQESA-N -1 0 392.250 2.517 20 50 GFGDRM O=C([O-])N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)c1cc(Br)c[nH]1 ZINC000834046130 605723334 /nfs/dbraw/zinc/72/33/34/605723334.db2.gz YDKZYHBPAWHRQQ-GWCFXTLKSA-N -1 0 383.246 2.806 20 50 GFGDRM CCc1nc(COc2ccc(C(=O)NNc3ccccc3C(=O)[O-])cc2)no1 ZINC000833673446 605724431 /nfs/dbraw/zinc/72/44/31/605724431.db2.gz MIZNYNNGDFFUBS-UHFFFAOYSA-N -1 0 382.376 2.666 20 50 GFGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(N2CCCC2=O)c1 ZINC000833520638 605741630 /nfs/dbraw/zinc/74/16/30/605741630.db2.gz GQJKOWOBUINNMB-ZDUSSCGKSA-N -1 0 382.420 2.899 20 50 GFGDRM CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833438416 605742850 /nfs/dbraw/zinc/74/28/50/605742850.db2.gz CNCXHWAFKPBOJF-HNNXBMFYSA-N -1 0 392.456 2.801 20 50 GFGDRM CN(C)c1cc(CNC(=O)NNc2cccc(C(=O)[O-])c2)c2ccccc2n1 ZINC000833691598 605746989 /nfs/dbraw/zinc/74/69/89/605746989.db2.gz QJOPMLXETYPCNP-UHFFFAOYSA-N -1 0 379.420 2.825 20 50 GFGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000834227703 605750171 /nfs/dbraw/zinc/75/01/71/605750171.db2.gz JRAQMOXREPSJCG-UHFFFAOYSA-N -1 0 380.744 2.616 20 50 GFGDRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)c1c(Cl)cccc1Cl ZINC000833833316 606034030 /nfs/dbraw/zinc/03/40/30/606034030.db2.gz ZWLBFCIQFRQHFT-FVMDXXJSSA-N -1 0 388.251 2.971 20 50 GFGDRM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)nn1 ZINC000834183474 606034079 /nfs/dbraw/zinc/03/40/79/606034079.db2.gz LSBGBHJARZXGAW-UWVGGRQHSA-N -1 0 375.351 2.545 20 50 GFGDRM C[C@@H](CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccccc1F ZINC000824384741 608571204 /nfs/dbraw/zinc/57/12/04/608571204.db2.gz GSTKFDXDMLCHKI-VIFPVBQESA-N -1 0 375.795 2.691 20 50 GFGDRM O=C(CCSc1ccc(F)cc1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826408142 608579965 /nfs/dbraw/zinc/57/99/65/608579965.db2.gz RHFLQZLSMKSIGL-UHFFFAOYSA-N -1 0 393.835 2.680 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccc(-c2ccccc2)[nH]1 ZINC000826446063 608580961 /nfs/dbraw/zinc/58/09/61/608580961.db2.gz YFDBZFIJXBRWKQ-UHFFFAOYSA-N -1 0 380.799 2.667 20 50 GFGDRM Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000832927324 601065882 /nfs/dbraw/zinc/06/58/82/601065882.db2.gz ACZMXYFWBWTANW-MXDDHBLUSA-N -1 0 392.411 2.848 20 50 GFGDRM N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000833063296 601790477 /nfs/dbraw/zinc/79/04/77/601790477.db2.gz HVBBIYRHHNCDEC-JYOAFUTRSA-N -1 0 396.384 2.793 20 50 GFGDRM Cc1cccc(NC(=S)NNC(=O)[C@H](CNC(=O)[O-])c2ccccc2)c1C ZINC000830521392 603448985 /nfs/dbraw/zinc/44/89/85/603448985.db2.gz GSGWMJKFDGOEMK-OAHLLOKOSA-N -1 0 386.477 2.672 20 50 GFGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNc2ccc(Br)cc2Cl)C1 ZINC000832276947 603567556 /nfs/dbraw/zinc/56/75/56/603567556.db2.gz DZCTZEJWILYYMR-IONNQARKSA-N -1 0 376.638 2.982 20 50 GFGDRM Cc1c(C(=O)NNc2c(C)cc(C)cc2C)nnn1C1CCN(C(=O)[O-])CC1 ZINC000829997341 603998523 /nfs/dbraw/zinc/99/85/23/603998523.db2.gz MGNAJTZQEQTKIP-UHFFFAOYSA-N -1 0 386.456 2.584 20 50 GFGDRM O=C([O-])NCCc1ccc(CNC(=O)NNc2cc(F)c(F)c(F)c2)cc1 ZINC000832671555 604033380 /nfs/dbraw/zinc/03/33/80/604033380.db2.gz DKPPCRQUOCVOMH-UHFFFAOYSA-N -1 0 382.342 2.740 20 50 GFGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000832276394 604033867 /nfs/dbraw/zinc/03/38/67/604033867.db2.gz AUULGCUQJMUPJQ-WBVHZDCISA-N -1 0 382.420 2.943 20 50 GFGDRM Cc1ccc(NC(=S)NNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(C)c1 ZINC000830395687 604119886 /nfs/dbraw/zinc/11/98/86/604119886.db2.gz JNMAXILXIXRKSF-GOOCMWNKSA-N -1 0 390.509 2.932 20 50 GFGDRM C[C@H](CC(=O)NNC(=O)CCCc1cccs1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824671485 604351658 /nfs/dbraw/zinc/35/16/58/604351658.db2.gz HRAPUIXTOGGTGT-ZIAGYGMSSA-N -1 0 381.498 2.634 20 50 GFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])c1C ZINC000829580226 604394086 /nfs/dbraw/zinc/39/40/86/604394086.db2.gz SJBPNRYGUKIPNA-LTXFRBGYSA-N -1 0 375.469 2.759 20 50 GFGDRM Cc1cccc(NC(=S)NNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000830521111 604500686 /nfs/dbraw/zinc/50/06/86/604500686.db2.gz BTJZNMMIPDVKTL-UONOGXRCSA-N -1 0 378.498 2.729 20 50 GFGDRM Cc1cccc(NC(=S)NNC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000830521109 604500697 /nfs/dbraw/zinc/50/06/97/604500697.db2.gz BTJZNMMIPDVKTL-KBPBESRZSA-N -1 0 378.498 2.729 20 50 GFGDRM CC(C)(C(=O)[O-])[C@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000826103943 604533703 /nfs/dbraw/zinc/53/37/03/604533703.db2.gz YONJAGCJBWWTDN-QGZVFWFLSA-N -1 0 387.411 2.551 20 50 GFGDRM CC(C)(C)C(=O)NNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000833421782 604731803 /nfs/dbraw/zinc/73/18/03/604731803.db2.gz CYQZYUDWDDYSGO-UHFFFAOYSA-N -1 0 377.319 2.525 20 50 GFGDRM COc1ccc(Nc2nc(C(=O)NNc3ccc(C(=O)[O-])cn3)cs2)cc1 ZINC000833733704 604806166 /nfs/dbraw/zinc/80/61/66/604806166.db2.gz ZZPFLXYXBVFTGG-UHFFFAOYSA-N -1 0 385.405 2.745 20 50 GFGDRM C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1F)C1CCN(C(=O)[O-])CC1 ZINC000824670939 604885608 /nfs/dbraw/zinc/88/56/08/604885608.db2.gz BVBFXPPSHDSMFZ-JTQLQIEISA-N -1 0 385.823 2.656 20 50 GFGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)COc1ccccc1-c1ccccc1 ZINC000833454207 605097047 /nfs/dbraw/zinc/09/70/47/605097047.db2.gz GHOSDYSCTSEIDR-UHFFFAOYSA-N -1 0 384.432 2.771 20 50 GFGDRM C[C@@H]1C(=O)Nc2cc(C(=O)NNc3ccc(C(=O)[O-])c(Cl)c3)ccc2N1C ZINC000833584320 605246053 /nfs/dbraw/zinc/24/60/53/605246053.db2.gz OWVKVRSVFIIORX-SECBINFHSA-N -1 0 388.811 2.572 20 50 GFGDRM O=C([O-])N1CCSC[C@H]1CC(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC000831414755 605330539 /nfs/dbraw/zinc/33/05/39/605330539.db2.gz SAINUSRLYCXPND-SNVBAGLBSA-N -1 0 379.360 2.514 20 50 GFGDRM CC(C)CCOc1cccc(NC(=O)C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833484855 605485411 /nfs/dbraw/zinc/48/54/11/605485411.db2.gz XMNLQDLUYMIFDF-UHFFFAOYSA-N -1 0 385.420 2.892 20 50 GFGDRM Cc1cc(C(=O)NNC(=O)c2cccc(OC(F)F)c2)ccc1NC(=O)[O-] ZINC000829962247 605675721 /nfs/dbraw/zinc/67/57/21/605675721.db2.gz YRLOJNBXSADNNZ-UHFFFAOYSA-N -1 0 379.319 2.761 20 50 GFGDRM Cc1cc(C(=O)NNC(=O)c2cccc(Br)c2)ccc1NC(=O)[O-] ZINC000829962264 605702573 /nfs/dbraw/zinc/70/25/73/605702573.db2.gz ZHIIOHWSHMHUPH-UHFFFAOYSA-N -1 0 392.209 2.922 20 50 GFGDRM COc1cc2cc(C(=O)NNc3ccccc3C(=O)[O-])[nH]c2c(OC)c1OC ZINC000833729312 605722303 /nfs/dbraw/zinc/72/23/03/605722303.db2.gz AIPBUJQIKDMQOA-UHFFFAOYSA-N -1 0 385.376 2.649 20 50 GFGDRM CC(C)(C)C(=O)Nc1nc(CC(=O)NNc2cccc(C(=O)[O-])c2)cs1 ZINC000833422336 605732618 /nfs/dbraw/zinc/73/26/18/605732618.db2.gz YAWMGAIBTQSALH-UHFFFAOYSA-N -1 0 376.438 2.512 20 50 GFGDRM O=C([O-])N1CCOC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1cc2c(s1)CCC2 ZINC000834045878 605741269 /nfs/dbraw/zinc/74/12/69/605741269.db2.gz UIZOCKGQPUSDDB-TZMCWYRMSA-N -1 0 377.466 2.502 20 50 GFGDRM O=C([O-])N[C@H]1CC(=NNC(=O)c2cc(Br)c[nH]2)c2ccccc21 ZINC000834158399 605742177 /nfs/dbraw/zinc/74/21/77/605742177.db2.gz RSBQPAQOKHZQFA-NSHDSACASA-N -1 0 377.198 2.624 20 50 GFGDRM O=C([O-])Nc1cccc(CC(=O)NNC(=O)CSc2ccc(Cl)cc2)c1 ZINC000834267054 605757952 /nfs/dbraw/zinc/75/79/52/605757952.db2.gz OYLIBVKKIXWNNV-UHFFFAOYSA-N -1 0 393.852 2.912 20 50 GFGDRM O=C([O-])Nc1cccc(CC(=O)NNC(=O)Cc2cccc3ccccc32)c1 ZINC000834267413 605758008 /nfs/dbraw/zinc/75/80/08/605758008.db2.gz WTOOEEQNAXAGCQ-UHFFFAOYSA-N -1 0 377.400 2.862 20 50 GFGDRM CC(C)[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)S(=O)(=O)C1CCCCC1 ZINC000833466172 605774225 /nfs/dbraw/zinc/77/42/25/605774225.db2.gz UTGLCLLIJGRDIR-INIZCTEOSA-N -1 0 382.482 2.600 20 50 GFGDRM O=C([O-])Nc1ncccc1C=NNC(=O)c1ccc(F)cc1Br ZINC000834282620 605955785 /nfs/dbraw/zinc/95/57/85/605955785.db2.gz CNFKAMDOYAJNLU-UHFFFAOYSA-N -1 0 381.161 2.837 20 50 GFGDRM O=C([O-])Nc1ncccc1C=NNC(=O)c1cc(F)ccc1Br ZINC000834279426 605955843 /nfs/dbraw/zinc/95/58/43/605955843.db2.gz ISZOXIYWADTWRK-UHFFFAOYSA-N -1 0 381.161 2.837 20 50 GFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)C=Cc2ccc3[nH]ccc3c2)o1 ZINC000824358355 608237476 /nfs/dbraw/zinc/23/74/76/608237476.db2.gz IBCLYVVIAIQXFA-GQCTYLIASA-N -1 0 378.396 2.616 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccc(OC2CCCC2)cc1 ZINC000826445931 608580272 /nfs/dbraw/zinc/58/02/72/608580272.db2.gz RNVAYEXWESJDQY-UHFFFAOYSA-N -1 0 399.842 2.993 20 50 GFGDRM O=C([O-])[C@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000833149182 600733593 /nfs/dbraw/zinc/73/35/93/600733593.db2.gz HJMOAMMEOPKYCH-CYBMUJFWSA-N -1 0 384.175 2.962 20 50 GFGDRM O=C([O-])c1ccc2c(c1)CN(C(=O)NNC(=O)c1cccc3ccccc31)C2 ZINC000833324415 600774286 /nfs/dbraw/zinc/77/42/86/600774286.db2.gz DKFQKRKTKXOGIH-UHFFFAOYSA-N -1 0 375.384 2.908 20 50 GFGDRM O=C([O-])CCN(C1CCOCC1)S(=O)(=O)c1ccc(CCCCl)cc1 ZINC000833231947 600992155 /nfs/dbraw/zinc/99/21/55/600992155.db2.gz GGRJARRAMKQPQM-UHFFFAOYSA-N -1 0 389.901 2.502 20 50 GFGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1C ZINC000831651260 601322704 /nfs/dbraw/zinc/32/27/04/601322704.db2.gz UORUIQMHLIQAQL-YSTIZTGUSA-N -1 0 384.436 2.895 20 50 GFGDRM O=C([O-])CCN(Cc1ccncc1)S(=O)(=O)c1ccc(CCCl)cc1 ZINC000833236077 601566110 /nfs/dbraw/zinc/56/61/10/601566110.db2.gz JYUNDVPSCKTZRA-UHFFFAOYSA-N -1 0 382.869 2.529 20 50 GFGDRM Cc1cc(C=NNC(=O)c2cc(-c3cccs3)n[nH]2)cc(C)c1OCC(=O)[O-] ZINC000832881667 602185054 /nfs/dbraw/zinc/18/50/54/602185054.db2.gz UKQGKHATYAUJID-UHFFFAOYSA-N -1 0 398.444 2.982 20 50 GFGDRM O=C([O-])N1CCC[C@H]1CC(=O)NNc1c(F)cc(F)cc1Br ZINC000831340103 603002839 /nfs/dbraw/zinc/00/28/39/603002839.db2.gz QTAXXYSMUXHGFE-QMMMGPOBSA-N -1 0 378.173 2.703 20 50 GFGDRM O=C([O-])N[C@H](CC(=O)NNc1ncccc1C(F)(F)F)Cc1ccccc1 ZINC000832103817 603654957 /nfs/dbraw/zinc/65/49/57/603654957.db2.gz ALFYLSYTOYMSIQ-LBPRGKRZSA-N -1 0 382.342 2.813 20 50 GFGDRM CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000827595064 604030791 /nfs/dbraw/zinc/03/07/91/604030791.db2.gz LEXGIACLIUBKQQ-ZIAGYGMSSA-N -1 0 378.498 2.701 20 50 GFGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C ZINC000832920826 604265883 /nfs/dbraw/zinc/26/58/83/604265883.db2.gz HMOXIGQEEMWNIL-UHFFFAOYSA-N -1 0 387.436 2.602 20 50 GFGDRM C[C@H](CC(=O)NNC(=O)CCCc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824671460 604331701 /nfs/dbraw/zinc/33/17/01/604331701.db2.gz HLVLWRWMMNHBDS-NVXWUHKLSA-N -1 0 375.469 2.573 20 50 GFGDRM C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1F)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824672402 604389671 /nfs/dbraw/zinc/38/96/71/604389671.db2.gz XAYQHBXFQDZZQP-QWRGUYRKSA-N -1 0 385.823 2.656 20 50 GFGDRM C[C@H](CC(=O)NNC(=O)CCCc1cccs1)C1CCN(C(=O)[O-])CC1 ZINC000824672298 604854851 /nfs/dbraw/zinc/85/48/51/604854851.db2.gz VVHNDSIHYQMUPX-CYBMUJFWSA-N -1 0 381.498 2.634 20 50 GFGDRM CN(CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000833691655 605245907 /nfs/dbraw/zinc/24/59/07/605245907.db2.gz FRNSTZDIWHVSRY-UHFFFAOYSA-N -1 0 378.772 2.526 20 50 GFGDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NNc2ccc(OCC(F)(F)F)cc2)C1 ZINC000834169881 605738236 /nfs/dbraw/zinc/73/82/36/605738236.db2.gz PETSYDAJDMUYJB-PWSUYJOCSA-N -1 0 375.347 2.897 20 50 GFGDRM O=C([O-])NCCCC(=O)NNC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000834232077 605975526 /nfs/dbraw/zinc/97/55/26/605975526.db2.gz VPRHIVDJMKEAGD-UTCJRWHESA-N -1 0 393.749 2.567 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000826445513 608580356 /nfs/dbraw/zinc/58/03/56/608580356.db2.gz XPWGNPHUMZTUPZ-NEPJUHHUSA-N -1 0 390.234 2.815 20 50 GFGDRM CC[C@@H](C)Oc1ccc(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)cc1 ZINC000825076554 608581437 /nfs/dbraw/zinc/58/14/37/608581437.db2.gz WNDPJYSEQXOSIQ-SNVBAGLBSA-N -1 0 387.831 2.849 20 50 GFGDRM O=C([O-])N1CCC[C@H](NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000833149467 600767210 /nfs/dbraw/zinc/76/72/10/600767210.db2.gz RAZSLSABLQFKHI-KRWDZBQOSA-N -1 0 397.435 2.832 20 50 GFGDRM Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832886687 600870415 /nfs/dbraw/zinc/87/04/15/600870415.db2.gz IRECDVVGRTYXGE-KBPBESRZSA-N -1 0 396.871 2.846 20 50 GFGDRM N#Cc1cccc([C@H](NNC(=O)c2ccc(COc3ccccc3)o2)C(=O)[O-])c1 ZINC000833074585 601298791 /nfs/dbraw/zinc/29/87/91/601298791.db2.gz BEHBZEYEVCEGLE-IBGZPJMESA-N -1 0 391.383 2.791 20 50 GFGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1C ZINC000831651259 601322714 /nfs/dbraw/zinc/32/27/14/601322714.db2.gz UORUIQMHLIQAQL-HFVKVNHUSA-N -1 0 384.436 2.895 20 50 GFGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCC2(C(=O)[O-])CCCC2)c1C ZINC000831651018 601600830 /nfs/dbraw/zinc/60/08/30/601600830.db2.gz PVJURSAQQGSLQB-BFERYNQYSA-N -1 0 387.480 2.981 20 50 GFGDRM N#Cc1ccccc1OCC(=O)NN[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833074980 601971115 /nfs/dbraw/zinc/97/11/15/601971115.db2.gz HXYIQJGNEHVUTN-MRXNPFEDSA-N -1 0 394.214 2.691 20 50 GFGDRM O=C([O-])N[C@H](CC(=O)NNc1cccc(C(F)(F)F)n1)Cc1ccccc1 ZINC000832105992 603658019 /nfs/dbraw/zinc/65/80/19/603658019.db2.gz SMHWRFUKRRDQAB-LBPRGKRZSA-N -1 0 382.342 2.813 20 50 GFGDRM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc2ccccc2c1 ZINC000832514787 603702367 /nfs/dbraw/zinc/70/23/67/603702367.db2.gz OFQGLFNTAWDWOH-IAGOWNOFSA-N -1 0 384.436 2.610 20 50 GFGDRM O=C([O-])N[C@H](CC(=O)NNc1ccc(-c2ccccc2)nn1)Cc1ccccc1 ZINC000832104515 604103856 /nfs/dbraw/zinc/10/38/56/604103856.db2.gz HHMPAZBVWXHJNL-KRWDZBQOSA-N -1 0 391.431 2.856 20 50 GFGDRM O=C([O-])N(CCCNC(=O)NNc1cccc(F)c1F)Cc1cccnc1 ZINC000831671662 604115775 /nfs/dbraw/zinc/11/57/75/604115775.db2.gz FAQVBWMUMHVQFI-UHFFFAOYSA-N -1 0 379.367 2.556 20 50 GFGDRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NNC(=O)c2cccc3ccccc32)C1 ZINC000825229734 604279549 /nfs/dbraw/zinc/27/95/49/604279549.db2.gz UTOFYMACNWKZHN-ZFWWWQNUSA-N -1 0 384.436 2.562 20 50 GFGDRM Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccc(C(=O)[O-])s3)[nH]n2)cc1C ZINC000832905628 604280170 /nfs/dbraw/zinc/28/01/70/604280170.db2.gz DSRHHNXRJCYJBG-UHFFFAOYSA-N -1 0 384.417 2.528 20 50 GFGDRM O=C([O-])NNC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC000832748669 604641524 /nfs/dbraw/zinc/64/15/24/604641524.db2.gz QAYQHQLMSZQKTP-UHFFFAOYSA-N -1 0 393.812 2.572 20 50 GFGDRM Cc1cccc(NC(=S)NNC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)c1 ZINC000830522699 604815109 /nfs/dbraw/zinc/81/51/09/604815109.db2.gz UKIBCZNKCACZCY-CYBMUJFWSA-N -1 0 378.498 2.729 20 50 GFGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000833405274 605039588 /nfs/dbraw/zinc/03/95/88/605039588.db2.gz CLGUJOXFKSXGQP-LLVKDONJSA-N -1 0 382.342 2.986 20 50 GFGDRM CC(=O)N[C@@H](CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1cccs1 ZINC000833394891 605246571 /nfs/dbraw/zinc/24/65/71/605246571.db2.gz HTAAPUFUMVPHQG-ZDUSSCGKSA-N -1 0 381.841 2.810 20 50 GFGDRM CC(C)COC(=O)N1CCC(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000833489736 605247405 /nfs/dbraw/zinc/24/74/05/605247405.db2.gz JFYNDUXDVHHTLF-UHFFFAOYSA-N -1 0 397.859 2.986 20 50 GFGDRM C[C@@H](CC(=O)NNc1ccc(Br)nc1)C1CCN(C(=O)[O-])CC1 ZINC000824679665 605306216 /nfs/dbraw/zinc/30/62/16/605306216.db2.gz MTMOBQQHFTYHMH-JTQLQIEISA-N -1 0 385.262 2.703 20 50 GFGDRM O=C([O-])N[C@H](CC(=O)NNC(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000832106377 605591052 /nfs/dbraw/zinc/59/10/52/605591052.db2.gz YIVNMDPAXOVSGE-GOSISDBHSA-N -1 0 377.400 3.000 20 50 GFGDRM O=C([O-])N[C@@H](CC(=O)NNc1ccc(Br)nc1)c1ccccc1 ZINC000834129704 605631886 /nfs/dbraw/zinc/63/18/86/605631886.db2.gz ZOPIIUZBYUDWMQ-LBPRGKRZSA-N -1 0 379.214 2.686 20 50 GFGDRM CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833435553 605730381 /nfs/dbraw/zinc/73/03/81/605730381.db2.gz MYZRTDRGFBMXLC-CYBMUJFWSA-N -1 0 377.441 2.865 20 50 GFGDRM O=C([O-])NCCC(=O)NN=Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000834227659 605749931 /nfs/dbraw/zinc/74/99/31/605749931.db2.gz ZBHUFLRJGUEFAI-UHFFFAOYSA-N -1 0 391.431 2.706 20 50 GFGDRM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833635646 605774756 /nfs/dbraw/zinc/77/47/56/605774756.db2.gz YQFIVXCMJXMIDH-RISCZKNCSA-N -1 0 393.440 2.588 20 50 GFGDRM O=C([O-])NCCCC(=O)NNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000834231309 605818459 /nfs/dbraw/zinc/81/84/59/605818459.db2.gz JTRWJGVMLOSERQ-OAHLLOKOSA-N -1 0 382.848 2.559 20 50 GFGDRM O=C(CCc1ccc(Cl)s1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826408884 608578934 /nfs/dbraw/zinc/57/89/34/608578934.db2.gz YUYMWIYLDUZGRF-UHFFFAOYSA-N -1 0 384.252 2.706 20 50 GFGDRM CC(C)(C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cccc(Cl)c1 ZINC000824064213 608581039 /nfs/dbraw/zinc/58/10/39/608581039.db2.gz BXLZWNWVUSJJAU-UHFFFAOYSA-N -1 0 392.250 2.989 20 50 GFGDRM O=C([O-])[C@H](NNC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000833115634 600734811 /nfs/dbraw/zinc/73/48/11/600734811.db2.gz WRVWMOJVWHVKFZ-OAHLLOKOSA-N -1 0 386.301 2.670 20 50 GFGDRM O=C([O-])[C@@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(Cl)cc1Cl ZINC000833149488 600745822 /nfs/dbraw/zinc/74/58/22/600745822.db2.gz RPNRPFQLXSHTQL-CABCVRRESA-N -1 0 381.215 2.744 20 50 GFGDRM Cc1ccc(NC(=O)NNC(=O)c2ccc(OCC(=O)[O-])cc2)c(Cl)c1 ZINC000832948398 600815034 /nfs/dbraw/zinc/81/50/34/600815034.db2.gz KRECVSSLMLQPMW-UHFFFAOYSA-N -1 0 377.784 2.578 20 50 GFGDRM Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832886008 600871496 /nfs/dbraw/zinc/87/14/96/600871496.db2.gz ADVJIIOFNALXTR-HZSPNIEDSA-N -1 0 396.871 2.763 20 50 GFGDRM Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832886010 600871533 /nfs/dbraw/zinc/87/15/33/600871533.db2.gz ADVJIIOFNALXTR-MGPQQGTHSA-N -1 0 396.871 2.763 20 50 GFGDRM Cc1cc(C(=O)NNc2ncccc2C(F)(F)F)cc(C)c1OCC(=O)[O-] ZINC000832864391 601757537 /nfs/dbraw/zinc/75/75/37/601757537.db2.gz BWLWWYYCYKGGTO-UHFFFAOYSA-N -1 0 383.326 2.938 20 50 GFGDRM O=C([O-])Nc1cc(C(=O)NNc2ccc(Cl)nn2)cc(C(F)(F)F)c1 ZINC000833280655 602142987 /nfs/dbraw/zinc/14/29/87/602142987.db2.gz ACCXSOYGDUGMMT-UHFFFAOYSA-N -1 0 375.694 2.996 20 50 GFGDRM CCC(=CC(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825029545 607621664 /nfs/dbraw/zinc/62/16/64/607621664.db2.gz VVKKRPDCXMVREE-ZRDIBKRKSA-N -1 0 397.439 2.923 20 50 GFGDRM COc1ccc([C@@H](NC(=O)NNC(=O)[O-])c2ccccc2Cl)c(OC)c1 ZINC000829310401 603437802 /nfs/dbraw/zinc/43/78/02/603437802.db2.gz HWVPHMZTTJBSKX-HNNXBMFYSA-N -1 0 379.800 2.928 20 50 GFGDRM C[C@@H](Nc1nc2ccccc2s1)C(=O)NN=Cc1ccc(NC(=O)[O-])nc1 ZINC000825509058 603484481 /nfs/dbraw/zinc/48/44/81/603484481.db2.gz MECOCEIRQQTJGD-SNVBAGLBSA-N -1 0 384.421 2.732 20 50 GFGDRM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])NNC(=O)c1ccc2ccccc2c1 ZINC000831308449 603848575 /nfs/dbraw/zinc/84/85/75/603848575.db2.gz RUOMUHOXZVJTCK-CNUNBNKRSA-N -1 0 381.432 2.912 20 50 GFGDRM O=C(CCCc1cccs1)NNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831429339 603892879 /nfs/dbraw/zinc/89/28/79/603892879.db2.gz RYCXXRINODNEAS-AGUYFDCRSA-N -1 0 379.482 2.529 20 50 GFGDRM CN(C)c1ccc(NC(=O)NNC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000828074023 604032206 /nfs/dbraw/zinc/03/22/06/604032206.db2.gz SLFHSUCJRWHVTJ-UHFFFAOYSA-N -1 0 391.815 2.962 20 50 GFGDRM C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1F)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824672404 604389744 /nfs/dbraw/zinc/38/97/44/604389744.db2.gz XAYQHBXFQDZZQP-WDEREUQCSA-N -1 0 385.823 2.656 20 50 GFGDRM O=C([O-])c1cccc(CC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000833765792 604666171 /nfs/dbraw/zinc/66/61/71/604666171.db2.gz NHBHJPIJPFKAAB-UHFFFAOYSA-N -1 0 383.282 2.998 20 50 GFGDRM CCOc1ccc(NC(=S)NNC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830084758 604805883 /nfs/dbraw/zinc/80/58/83/604805883.db2.gz LYWVEFGTNKCZRZ-UHFFFAOYSA-N -1 0 377.397 2.554 20 50 GFGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)COc1ccc(Cl)cc1Cl ZINC000833408784 605038516 /nfs/dbraw/zinc/03/85/16/605038516.db2.gz WDTFUYWFTPMKST-SNVBAGLBSA-N -1 0 384.219 2.970 20 50 GFGDRM O=C([O-])[C@H](NNC(=O)COCc1ccccc1)c1cccc(Cl)c1Cl ZINC000833764272 605067384 /nfs/dbraw/zinc/06/73/84/605067384.db2.gz BMPHAJFPMUXPMR-MRXNPFEDSA-N -1 0 383.231 2.957 20 50 GFGDRM CCS(=O)(=O)c1ccccc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833669744 605244363 /nfs/dbraw/zinc/24/43/63/605244363.db2.gz YHYRWALAFHUYIB-UHFFFAOYSA-N -1 0 382.825 2.589 20 50 GFGDRM CC(C)Oc1ccc(NC(=O)C(=O)NNc2cccc(C(=O)[O-])c2)cc1Cl ZINC000833506494 605482174 /nfs/dbraw/zinc/48/21/74/605482174.db2.gz GAWLOAYWAQANLE-UHFFFAOYSA-N -1 0 391.811 2.907 20 50 GFGDRM CN(c1ccccc1NC(=O)C(=O)NNc1cccc(C(=O)[O-])c1)C1CCCC1 ZINC000833697544 605486424 /nfs/dbraw/zinc/48/64/24/605486424.db2.gz IFCSKCRJSCVUDX-UHFFFAOYSA-N -1 0 396.447 2.845 20 50 GFGDRM N#C/C=C(/c1ccccc1)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833967367 605513792 /nfs/dbraw/zinc/51/37/92/605513792.db2.gz DMRYIAJGFMGOCM-WZNYJJAYSA-N -1 0 382.464 2.522 20 50 GFGDRM O=C([O-])NC[C@H](C(=O)NNc1ccccc1Br)c1ccccc1 ZINC000834209102 605718227 /nfs/dbraw/zinc/71/82/27/605718227.db2.gz CLYIOFRSWMGRGA-LBPRGKRZSA-N -1 0 378.226 2.944 20 50 GFGDRM O=C([O-])c1ccccc1NNC(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000833765343 605722457 /nfs/dbraw/zinc/72/24/57/605722457.db2.gz JHYFKBURXSLYEX-UHFFFAOYSA-N -1 0 396.428 2.779 20 50 GFGDRM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NNc2ccccc2C(=O)[O-])C1 ZINC000833440987 605723103 /nfs/dbraw/zinc/72/31/03/605723103.db2.gz OETGQLWVEIUTIM-QWHCGFSZSA-N -1 0 377.441 2.911 20 50 GFGDRM O=C([O-])NC1(C(=O)NNc2ccc(OC(F)F)cc2)Cc2ccccc2C1 ZINC000834150607 605737498 /nfs/dbraw/zinc/73/74/98/605737498.db2.gz FRGCJMIRETYGRM-UHFFFAOYSA-N -1 0 377.347 2.536 20 50 GFGDRM CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833439491 605740541 /nfs/dbraw/zinc/74/05/41/605740541.db2.gz NCLYJCWLSPLJFZ-HNNXBMFYSA-N -1 0 392.456 2.801 20 50 GFGDRM CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833437637 605774040 /nfs/dbraw/zinc/77/40/40/605774040.db2.gz UBKFLKVWCQMWGH-LJQANCHMSA-N -1 0 377.441 2.865 20 50 GFGDRM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNc1cc(F)c(F)cc1F ZINC000834250802 605930335 /nfs/dbraw/zinc/93/03/35/605930335.db2.gz HKQLDHJBJBFMMI-INIZCTEOSA-N -1 0 392.337 2.907 20 50 GFGDRM O=C(CCCc1ccc(F)c(F)c1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826406915 608581844 /nfs/dbraw/zinc/58/18/44/608581844.db2.gz SICGABMOFNFLQB-UHFFFAOYSA-N -1 0 393.785 2.659 20 50 GFGDRM Cc1cc(C(=O)NNC(=O)C(C)(C)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832864461 601563186 /nfs/dbraw/zinc/56/31/86/601563186.db2.gz HDRWTOUWFRMIQD-UHFFFAOYSA-N -1 0 384.432 2.506 20 50 GFGDRM Cc1c(/C=C(/C#N)C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc(C#N)n1C ZINC000832853425 601783046 /nfs/dbraw/zinc/78/30/46/601783046.db2.gz KYWSVLXOLYTDKT-MLPAPPSSSA-N -1 0 383.433 2.615 20 50 GFGDRM Cc1cc(C(=O)NN=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)[nH]n1 ZINC000832864434 602185555 /nfs/dbraw/zinc/18/55/55/602185555.db2.gz FFERQUQCUJEHBU-UHFFFAOYSA-N -1 0 378.388 2.759 20 50 GFGDRM O=C([O-])N1CCC2(C[C@@H]2C(=O)NNC(=O)c2c(Cl)cccc2Cl)CC1 ZINC000831736367 603497968 /nfs/dbraw/zinc/49/79/68/603497968.db2.gz KJYNGYIWDNTCFG-SECBINFHSA-N -1 0 386.235 2.535 20 50 GFGDRM C[C@@H](C(=O)NNc1ccc(Br)nc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823703825 603614273 /nfs/dbraw/zinc/61/42/73/603614273.db2.gz PNPNKOVJGIHTGT-YGRLFVJLSA-N -1 0 393.241 2.932 20 50 GFGDRM Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000830871628 603716619 /nfs/dbraw/zinc/71/66/19/603716619.db2.gz VCYXXTPXBJZXRB-CABCVRRESA-N -1 0 382.892 2.733 20 50 GFGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNc2c(F)cc(F)cc2Br)C1 ZINC000832277073 603917711 /nfs/dbraw/zinc/91/77/11/603917711.db2.gz 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CC(=O)Nc1cncc(C(=O)NN=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1 ZINC000825922968 604788363 /nfs/dbraw/zinc/78/83/63/604788363.db2.gz NKZZFAMJZQZBQQ-UHFFFAOYSA-N -1 0 392.371 2.762 20 50 GFGDRM O=C([O-])[C@H](NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1cccnc1 ZINC000833098988 604987937 /nfs/dbraw/zinc/98/79/37/604987937.db2.gz WHPQSOWGBOSGRV-MRXNPFEDSA-N -1 0 398.246 2.994 20 50 GFGDRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833440463 605245401 /nfs/dbraw/zinc/24/54/01/605245401.db2.gz ZDQICVQWPYSKJF-ZDUSSCGKSA-N -1 0 383.832 2.881 20 50 GFGDRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)C(=O)NNc2ccc(F)cc2)s1 ZINC000833446829 605482213 /nfs/dbraw/zinc/48/22/13/605482213.db2.gz MACPKOZREJZUOJ-UHFFFAOYSA-N -1 0 379.413 2.965 20 50 GFGDRM CC(C)CCOc1ccc(NC(=O)C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833484106 605485703 /nfs/dbraw/zinc/48/57/03/605485703.db2.gz MFCQLNJYPOEYGP-UHFFFAOYSA-N -1 0 385.420 2.892 20 50 GFGDRM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833441242 605734735 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UMWROTZSIUGANI-MRXNPFEDSA-N -1 0 399.230 2.828 20 50 GFGDRM Cc1ccc(C(=O)NNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)c(O)c1 ZINC000832911622 602060303 /nfs/dbraw/zinc/06/03/03/602060303.db2.gz HVKROESUJCVMAB-UHFFFAOYSA-N -1 0 397.309 2.884 20 50 GFGDRM COc1cc(OC)cc([C@@H](NNC(=O)c2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC000832067822 602177408 /nfs/dbraw/zinc/17/74/08/602177408.db2.gz RXMZNVQUGZUKSR-OAHLLOKOSA-N -1 0 382.775 2.557 20 50 GFGDRM C[C@H](C(=O)NNC(=O)C(C)(C)c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702412 602894335 /nfs/dbraw/zinc/89/43/35/602894335.db2.gz KMTLOYLDZXHKQO-WMLDXEAASA-N -1 0 383.448 2.757 20 50 GFGDRM O=C([O-])NCc1ccc(C(=O)NNc2c(F)cc(F)cc2Br)o1 ZINC000832702398 603003264 /nfs/dbraw/zinc/00/32/64/603003264.db2.gz PJUVSGFASTUVMO-UHFFFAOYSA-N -1 0 390.140 2.845 20 50 GFGDRM C[C@H](C(=O)NNc1ccc(Br)nc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823703822 603614138 /nfs/dbraw/zinc/61/41/38/603614138.db2.gz PNPNKOVJGIHTGT-IINYFYTJSA-N -1 0 393.241 2.932 20 50 GFGDRM 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392.419 2.783 20 50 GFGDRM COc1cc(C=NNC(=O)CNC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000833887456 605382602 /nfs/dbraw/zinc/38/26/02/605382602.db2.gz SFOBNXYOLCOKME-UHFFFAOYSA-N -1 0 391.811 2.645 20 50 GFGDRM O=C([O-])NCc1nc(C(=O)NNc2ccc(F)cc2Br)cs1 ZINC000834249624 605718181 /nfs/dbraw/zinc/71/81/81/605718181.db2.gz UVKBFFCJIXLUMT-UHFFFAOYSA-N -1 0 389.206 2.569 20 50 GFGDRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1cc(Br)c[nH]1 ZINC000834046136 605722939 /nfs/dbraw/zinc/72/29/39/605722939.db2.gz YDKZYHBPAWHRQQ-ZWNOBZJWSA-N -1 0 383.246 2.806 20 50 GFGDRM O=C(CCCc1cccs1)NN=C1CCC[C@H]1[C@H]1COCCN1C(=O)[O-] ZINC000833990716 605741852 /nfs/dbraw/zinc/74/18/52/605741852.db2.gz ANDRXCCBECFJED-GDBMZVCRSA-N -1 0 379.482 2.722 20 50 GFGDRM O=C([O-])N[C@@H]1CC(=NNC(=O)c2cc(Br)c[nH]2)c2ccccc21 ZINC000834158396 605742319 /nfs/dbraw/zinc/74/23/19/605742319.db2.gz RSBQPAQOKHZQFA-LLVKDONJSA-N -1 0 377.198 2.624 20 50 GFGDRM O=C(CCCc1cccs1)NN=C1CCC[C@@H]1[C@H]1COCCN1C(=O)[O-] ZINC000833990718 605742908 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Cc1cc(/C=C(/C#N)C(=O)N[C@]2(C(=O)[O-])CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000832881985 601736429 /nfs/dbraw/zinc/73/64/29/601736429.db2.gz XXSHCIYLOVOEFM-KGGGBHMPSA-N -1 0 397.406 2.500 20 50 GFGDRM Cc1cc(C(=O)NNc2cccc(C(F)(F)F)n2)cc(C)c1OCC(=O)[O-] ZINC000832864389 601757542 /nfs/dbraw/zinc/75/75/42/601757542.db2.gz BUWHFYANUXJYDL-UHFFFAOYSA-N -1 0 383.326 2.938 20 50 GFGDRM O=C([O-])Nc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC000833281734 601956532 /nfs/dbraw/zinc/95/65/32/601956532.db2.gz NLOJZZKHIAHKQB-UHFFFAOYSA-N -1 0 399.300 2.938 20 50 GFGDRM N#Cc1ccccc1OCC(=O)NN[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833074979 601971227 /nfs/dbraw/zinc/97/12/27/601971227.db2.gz HXYIQJGNEHVUTN-INIZCTEOSA-N -1 0 394.214 2.691 20 50 GFGDRM O=C([O-])[C@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1cc(Cl)cc(Cl)c1 ZINC000833148933 601975156 /nfs/dbraw/zinc/97/51/56/601975156.db2.gz BJKNHOKXTRQGKU-HUUCEWRRSA-N -1 0 381.215 2.744 20 50 GFGDRM O=C([O-])[C@H](NNC(=O)COCc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000833114908 601976903 /nfs/dbraw/zinc/97/69/03/601976903.db2.gz WSUUKXHZWQDOIU-MRXNPFEDSA-N -1 0 383.231 2.957 20 50 GFGDRM C[C@@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823706166 603230961 /nfs/dbraw/zinc/23/09/61/603230961.db2.gz ZQHJFGQHAGNLJI-SJKOYZFVSA-N -1 0 389.839 2.675 20 50 GFGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNc2ccc(Br)cc2Cl)C1 ZINC000832276948 603567229 /nfs/dbraw/zinc/56/72/29/603567229.db2.gz DZCTZEJWILYYMR-VXNVDRBHSA-N -1 0 376.638 2.982 20 50 GFGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)c3nnc(-c4ccccc4)o3)c21 ZINC000831735821 603821087 /nfs/dbraw/zinc/82/10/87/603821087.db2.gz BGVMCGSFICACRF-UHFFFAOYSA-N -1 0 377.360 2.541 20 50 GFGDRM O=C([O-])NC1(C(=O)NNc2c(Cl)cc(Br)cc2Cl)CC1 ZINC000832175502 604474274 /nfs/dbraw/zinc/47/42/74/604474274.db2.gz DEBMHPZJPOKGCR-UHFFFAOYSA-N -1 0 383.029 2.999 20 50 GFGDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NNC(=O)CCc1ccccc1)c1ccccc1 ZINC000826103089 604529324 /nfs/dbraw/zinc/52/93/24/604529324.db2.gz NBJDFIQLFMCAKX-SFHVURJKSA-N -1 0 383.448 2.802 20 50 GFGDRM O=C([O-])N(CC(=O)NNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000831451215 605299271 /nfs/dbraw/zinc/29/92/71/605299271.db2.gz RONXKVBBYMZYJI-UHFFFAOYSA-N -1 0 381.310 2.651 20 50 GFGDRM O=C([O-])N[C@H](CC(=O)NNC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000834127166 605617626 /nfs/dbraw/zinc/61/76/26/605617626.db2.gz NWROGYYUZABLGK-GOSISDBHSA-N -1 0 377.400 3.000 20 50 GFGDRM O=C([O-])N[C@H](CC(=O)NNc1ccc(Br)nc1)c1ccccc1 ZINC000834129701 605631543 /nfs/dbraw/zinc/63/15/43/605631543.db2.gz ZOPIIUZBYUDWMQ-GFCCVEGCSA-N -1 0 379.214 2.686 20 50 GFGDRM CC(C)Cn1nc(C(=O)NNc2cccc(C(=O)[O-])c2)c2ccccc2c1=O ZINC000833494818 605734951 /nfs/dbraw/zinc/73/49/51/605734951.db2.gz NUMYBMPQIAVEBZ-UHFFFAOYSA-N -1 0 380.404 2.508 20 50 GFGDRM O=C([O-])N1CCSC[C@@H]1CC(=O)NNc1ccc(OCC(F)(F)F)cc1 ZINC000833988115 605736972 /nfs/dbraw/zinc/73/69/72/605736972.db2.gz MPZQZGRDPXRIJP-NSHDSACASA-N -1 0 393.387 2.556 20 50 GFGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(N2CCCC2=O)cc1 ZINC000833521155 605741230 /nfs/dbraw/zinc/74/12/30/605741230.db2.gz LBPPEYOAGBGTGU-ZDUSSCGKSA-N -1 0 382.420 2.899 20 50 GFGDRM C[C@@H]1CCc2sc(C(=O)NN=c3cc(-c4nnn[n-]4)cc(Cl)[nH]3)cc2C1 ZINC000824967773 608572989 /nfs/dbraw/zinc/57/29/89/608572989.db2.gz NBAUPHSPTNASHP-MRVPVSSYSA-N -1 0 389.872 2.858 20 50 GFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cccc([C@H]2CCCOC2)c1 ZINC000826445954 608573872 /nfs/dbraw/zinc/57/38/72/608573872.db2.gz SGUSWNVROATJSM-ZDUSSCGKSA-N -1 0 399.842 2.566 20 50 GFGDRM Cc1c(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)cnc2ccccc12 ZINC000826234690 608576060 /nfs/dbraw/zinc/57/60/60/608576060.db2.gz JMGNQQRYTQKDKA-UHFFFAOYSA-N -1 0 380.799 2.529 20 50 GFGDRM O=C(Cc1ccc(C(F)(F)F)cc1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826422702 608577724 /nfs/dbraw/zinc/57/77/24/608577724.db2.gz JBZMNWRXOGERGB-UHFFFAOYSA-N -1 0 397.748 2.620 20 50 GFGDRM