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-])CCSCc1ccc(Cl)cc1Cl ZINC000019687421 948788056 /nfs/dbraw/zinc/78/80/56/948788056.db2.gz UXJLWJBNPQGDER-UHFFFAOYSA-N -1 0 265.161 3.701 20 0 CHADRM C[C@@H](CC(=O)N1CCCC[C@H]1CCC(=O)[O-])CC(C)(C)C ZINC000050921740 948921611 /nfs/dbraw/zinc/92/16/11/948921611.db2.gz DFDZSTSLIXDDHN-KBPBESRZSA-N -1 0 297.439 3.695 20 0 CHADRM C[C@H](CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])CC(C)(C)C ZINC000050921738 948921908 /nfs/dbraw/zinc/92/19/08/948921908.db2.gz DFDZSTSLIXDDHN-ZIAGYGMSSA-N -1 0 297.439 3.695 20 0 CHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(C2CCC2)c1 ZINC000359154624 971532625 /nfs/dbraw/zinc/53/26/25/971532625.db2.gz FQKMFCVSUIHOBX-UHFFFAOYSA-N -1 0 289.375 3.784 20 0 CHADRM O=C([O-])c1cccc(CNc2cccc3cccnc32)c1 ZINC001595244857 949506055 /nfs/dbraw/zinc/50/60/55/949506055.db2.gz YGXRBWSHEGTXQU-UHFFFAOYSA-N -1 0 278.311 3.545 20 0 CHADRM CCCC(CCC)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000211790625 949531190 /nfs/dbraw/zinc/53/11/90/949531190.db2.gz COGUBDVOTMXUOD-UHFFFAOYSA-N -1 0 281.327 3.679 20 0 CHADRM CC1(C)CCCC[C@@H]1C(=O)Nc1sccc1C(=O)[O-] ZINC000226497099 949587147 /nfs/dbraw/zinc/58/71/47/949587147.db2.gz MBFLPKSRIKVCFI-SNVBAGLBSA-N -1 0 281.377 3.601 20 0 CHADRM CCCC[C@@H](CC)CCCN(C)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001589641376 949692693 /nfs/dbraw/zinc/69/26/93/949692693.db2.gz SUCBZRJPJBKIOU-RBSFLKMASA-N -1 0 297.439 3.552 20 0 CHADRM CCCC[C@H](CCC)NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001589641567 949695195 /nfs/dbraw/zinc/69/51/95/949695195.db2.gz UUJSKHKEOKWYKT-LBPRGKRZSA-N -1 0 297.439 3.599 20 0 CHADRM CCCCCC[C@H](CC)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001589645160 949721010 /nfs/dbraw/zinc/72/10/10/949721010.db2.gz RYZNFZSDRKOQFW-SOUVJXGZSA-N -1 0 297.439 3.552 20 0 CHADRM CCCCc1ccc(OC(=O)C2(CC(=O)[O-])CCC2)cc1 ZINC001589655817 949817716 /nfs/dbraw/zinc/81/77/16/949817716.db2.gz MOPUPMUCTGQXNI-UHFFFAOYSA-N -1 0 290.359 3.580 20 0 CHADRM O=C([O-])[C@H]1CCN(C[C@H]2CCC(F)(F)C2)c2ccccc21 ZINC000313117369 950781087 /nfs/dbraw/zinc/78/10/87/950781087.db2.gz JEHOQOLWYMOLMP-AAEUAGOBSA-N -1 0 295.329 3.500 20 0 CHADRM COc1cc(C(=O)[O-])ccc1OC[C@@H]1CCC[C@H](C)C1 ZINC000380540598 971704925 /nfs/dbraw/zinc/70/49/25/971704925.db2.gz BQUGSGFGTZHZFU-NWDGAFQWSA-N -1 0 278.348 3.599 20 0 CHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1CCC=CCCC1)C(=O)[O-] ZINC001602859936 971713443 /nfs/dbraw/zinc/71/34/43/971713443.db2.gz RUJNPLZQSTWPFU-KGLIPLIRSA-N -1 0 295.423 3.519 20 0 CHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CCCC1CCCCC1 ZINC001602867428 971729865 /nfs/dbraw/zinc/72/98/65/971729865.db2.gz ATBWBHSYYYXBKG-UHFFFAOYSA-N -1 0 297.439 3.696 20 0 CHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001595024617 951332114 /nfs/dbraw/zinc/33/21/14/951332114.db2.gz ILHINQVSGDTERN-TXCZRRACSA-N -1 0 299.414 3.576 20 0 CHADRM O=C([O-])CCCC(=O)O[C@@H]1CCCc2ccc(Cl)cc21 ZINC001595031223 951368943 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/nfs/dbraw/zinc/05/84/78/972058478.db2.gz YJFBWBSVAUWNCY-UHFFFAOYSA-N -1 0 267.231 3.528 20 0 CHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1ccc2ccccc2c1 ZINC001589483022 954987663 /nfs/dbraw/zinc/98/76/63/954987663.db2.gz HCHWLXFRZHIHDF-UHFFFAOYSA-N -1 0 286.327 3.636 20 0 CHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000614829764 1125464159 /nfs/dbraw/zinc/46/41/59/1125464159.db2.gz ZCSOYVHEJNYJTF-DJLDLDEBSA-N -1 0 283.730 3.559 20 0 CHADRM CN(C(=O)CC1CCCCCC1)C1(C(=O)[O-])CCCCC1 ZINC000387102454 972103656 /nfs/dbraw/zinc/10/36/56/972103656.db2.gz XLOMMTCRFFHJSC-UHFFFAOYSA-N -1 0 295.423 3.593 20 0 CHADRM CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1ccc2ccccc2c1 ZINC000852949928 955871456 /nfs/dbraw/zinc/87/14/56/955871456.db2.gz LOUYJSJCWCHULG-HNNXBMFYSA-N -1 0 299.370 3.550 20 0 CHADRM Cc1ccccc1CSCc1ncccc1C(=O)[O-] ZINC000388722211 972187854 /nfs/dbraw/zinc/18/78/54/972187854.db2.gz ZHSHQEYRAHHPLH-UHFFFAOYSA-N -1 0 273.357 3.522 20 0 CHADRM CCCCCC[C@H](C)CC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000902168310 956670951 /nfs/dbraw/zinc/67/09/51/956670951.db2.gz RIQCAXHQVTZDPR-SOUVJXGZSA-N -1 0 297.439 3.552 20 0 CHADRM COc1cccc(S[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000011951043 956898974 /nfs/dbraw/zinc/89/89/74/956898974.db2.gz USVBNRSOQJOHNP-AWEZNQCLSA-N -1 0 274.341 3.613 20 0 CHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000013166682 956947141 /nfs/dbraw/zinc/94/71/41/956947141.db2.gz PDUBNUZAHDCNOD-GFCCVEGCSA-N -1 0 283.327 3.517 20 0 CHADRM CC1=C(C)C[C@@H](C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])CC1 ZINC001589256621 956999484 /nfs/dbraw/zinc/99/94/84/956999484.db2.gz UCDFRTSELQFFOC-KBPBESRZSA-N -1 0 295.423 3.519 20 0 CHADRM Cc1ccc(C(=O)Nc2ccc(C)cc2C(=O)[O-])c(C)c1 ZINC000019807073 957119078 /nfs/dbraw/zinc/11/90/78/957119078.db2.gz VXAWDJAJEJRPBB-UHFFFAOYSA-N -1 0 283.327 3.562 20 0 CHADRM CCCC[C@@H](CC)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000020509219 957144240 /nfs/dbraw/zinc/14/42/40/957144240.db2.gz 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ZINC000124121245 958519353 /nfs/dbraw/zinc/51/93/53/958519353.db2.gz VXVJKYKUFTXLDJ-UHFFFAOYSA-N -1 0 276.361 3.557 20 0 CHADRM C=Cc1ccc(C(=O)Nc2c(C)cccc2C(=O)[O-])cc1 ZINC001588478379 958564622 /nfs/dbraw/zinc/56/46/22/958564622.db2.gz KIEPJAXOAIBCHE-UHFFFAOYSA-N -1 0 281.311 3.589 20 0 CHADRM Cc1ccc(N[C@@H](C)C(=O)[O-])cc1-c1ccsc1 ZINC001594373591 958568479 /nfs/dbraw/zinc/56/84/79/958568479.db2.gz LTYFVTUZCRUGDT-JTQLQIEISA-N -1 0 261.346 3.609 20 0 CHADRM COc1ccc(C(=O)[O-])cc1CSc1ccc(F)cc1 ZINC000131941109 958757209 /nfs/dbraw/zinc/75/72/09/958757209.db2.gz KEEDYEXZDNZXSF-UHFFFAOYSA-N -1 0 292.331 3.825 20 0 CHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CCC1CCCCCC1 ZINC001573424835 958787098 /nfs/dbraw/zinc/78/70/98/958787098.db2.gz NUCGQZMDTLOPIL-UHFFFAOYSA-N -1 0 297.439 3.696 20 0 CHADRM CCCC(CCC)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000134974561 958870749 /nfs/dbraw/zinc/87/07/49/958870749.db2.gz GISFJHGNXYCUDQ-AWEZNQCLSA-N -1 0 297.439 3.552 20 0 CHADRM 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CCC[C@H](C)CC(=O)Nc1ccc(CC)cc1C(=O)[O-] ZINC001595570668 981475245 /nfs/dbraw/zinc/47/52/45/981475245.db2.gz HOOPLPOFVSRBDB-NSHDSACASA-N -1 0 277.364 3.712 20 0 CHADRM CCC[C@H](C)CCNC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595572032 981482231 /nfs/dbraw/zinc/48/22/31/981482231.db2.gz APPSHSCLVVRHQJ-NSHDSACASA-N -1 0 292.379 3.641 20 0 CHADRM CCC[C@@H](C)CCNC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595572031 981482351 /nfs/dbraw/zinc/48/23/51/981482351.db2.gz APPSHSCLVVRHQJ-LLVKDONJSA-N -1 0 292.379 3.641 20 0 CHADRM CCC[C@H](CC(C)C)C(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001595578740 981502800 /nfs/dbraw/zinc/50/28/00/981502800.db2.gz IEKRRAXCJXGBRT-CQSZACIVSA-N -1 0 299.455 3.797 20 0 CHADRM CCC[C@@H](CC)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001595585780 981526584 /nfs/dbraw/zinc/52/65/84/981526584.db2.gz CNQCMRYPMHJMCT-SNVBAGLBSA-N -1 0 282.311 3.564 20 0 CHADRM CCC[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001595585926 981527869 /nfs/dbraw/zinc/52/78/69/981527869.db2.gz 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/nfs/dbraw/zinc/59/67/64/981596764.db2.gz CLDRCYHNSJRCPX-LLVKDONJSA-N -1 0 288.434 3.621 20 0 CHADRM CCC[C@@H](c1nc(-c2cc(C(=O)[O-])co2)no1)C(C)C ZINC001595615428 981636023 /nfs/dbraw/zinc/63/60/23/981636023.db2.gz PKVRXWFQZORSFC-SNVBAGLBSA-N -1 0 278.308 3.568 20 0 CHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)/C=C2\CC[C@@H](C)C2)c1 ZINC000909834268 981652038 /nfs/dbraw/zinc/65/20/38/981652038.db2.gz LYNGTDAMCBYYMG-LZEMIWRJSA-N -1 0 287.359 3.560 20 0 CHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCC(C)(C)C2)c1 ZINC000909835746 981655825 /nfs/dbraw/zinc/65/58/25/981655825.db2.gz VCEMMKMGWIOYPN-WCQYABFASA-N -1 0 289.375 3.640 20 0 CHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C[C@H]2C=CCCC2)cc1 ZINC000909836498 981657427 /nfs/dbraw/zinc/65/74/27/981657427.db2.gz QHOLAUWRYUINRL-STQMWFEESA-N -1 0 287.359 3.560 20 0 CHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001595621709 981702347 /nfs/dbraw/zinc/70/23/47/981702347.db2.gz NGIFWESCXBWZAY-QWRGUYRKSA-N -1 0 295.404 3.910 20 0 CHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001595621707 981702506 /nfs/dbraw/zinc/70/25/06/981702506.db2.gz NGIFWESCXBWZAY-GHMZBOCLSA-N -1 0 295.404 3.910 20 0 CHADRM CCCC[C@@H](C)C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001595631088 981833205 /nfs/dbraw/zinc/83/32/05/981833205.db2.gz ANKZBSHWMUZHIZ-SECBINFHSA-N -1 0 298.408 3.730 20 0 CHADRM CCCC[C@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001595631400 981838053 /nfs/dbraw/zinc/83/80/53/981838053.db2.gz OJHSBOCURMRNHG-VIFPVBQESA-N -1 0 284.739 3.770 20 0 CHADRM CCCC[C@@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001595631399 981838072 /nfs/dbraw/zinc/83/80/72/981838072.db2.gz OJHSBOCURMRNHG-SECBINFHSA-N -1 0 284.739 3.770 20 0 CHADRM CCCC[C@H](CC)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001595631951 981847020 /nfs/dbraw/zinc/84/70/20/981847020.db2.gz LMEIDZSAOLIABV-LBPRGKRZSA-N -1 0 296.338 3.575 20 0 CHADRM CCC(=CC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)CC ZINC000910299359 981853770 /nfs/dbraw/zinc/85/37/70/981853770.db2.gz SNSWZGXWMJGDPY-LSDHHAIUSA-N -1 0 287.359 3.560 20 0 CHADRM CCCC[C@@H](CCC)CNC(=O)c1ccsc1C(=O)[O-] ZINC001595632572 981857963 /nfs/dbraw/zinc/85/79/63/981857963.db2.gz JHSOOYAJJFXGBP-LLVKDONJSA-N -1 0 297.420 3.783 20 0 CHADRM CCCC[C@@H](CC)CCCN(C)c1cncc(C(=O)[O-])n1 ZINC001595633006 981864737 /nfs/dbraw/zinc/86/47/37/981864737.db2.gz ZECODTHFSVBUCH-CYBMUJFWSA-N -1 0 293.411 3.608 20 0 CHADRM CCC(C)(C)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001594794485 981871910 /nfs/dbraw/zinc/87/19/10/981871910.db2.gz NAQLYTHLSGAKIU-AWEZNQCLSA-N -1 0 290.359 3.742 20 0 CHADRM CCC(C)(C)CC(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001594808221 981914451 /nfs/dbraw/zinc/91/44/51/981914451.db2.gz ICDCENFPCLPYDZ-CYBMUJFWSA-N -1 0 298.766 3.835 20 0 CHADRM CCC(C)(C)c1ccc(Nc2nccnc2C(=O)[O-])cc1 ZINC001594815871 981946857 /nfs/dbraw/zinc/94/68/57/981946857.db2.gz RYEYYZPBVBGPEV-UHFFFAOYSA-N -1 0 285.347 3.606 20 0 CHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C(C)=C\C1CCC(C)CC1 ZINC001594815854 981946864 /nfs/dbraw/zinc/94/68/64/981946864.db2.gz 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CCCCCS[C@@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC001595724030 982343403 /nfs/dbraw/zinc/34/34/03/982343403.db2.gz LREYYOVADDOALK-CYBMUJFWSA-N -1 0 296.388 3.522 20 0 CHADRM CC[C@@H](C)[C@@H](Sc1ncc(C(C)(C)C)o1)C(=O)[O-] ZINC001594928274 982534052 /nfs/dbraw/zinc/53/40/52/982534052.db2.gz FQECXSCFFZKUDA-PSASIEDQSA-N -1 0 271.382 3.564 20 0 CHADRM CC[C@H](C)[C@@H](Sc1ncc(-c2ccccc2)o1)C(=O)[O-] ZINC001594928611 982539810 /nfs/dbraw/zinc/53/98/10/982539810.db2.gz KWWYRJSTQKUKDH-GXFFZTMASA-N -1 0 291.372 3.933 20 0 CHADRM CC[C@@H](C)[C@H](Sc1nc(-c2ccccc2)co1)C(=O)[O-] ZINC001594930398 982552483 /nfs/dbraw/zinc/55/24/83/982552483.db2.gz WJZZRRJPQCTJBY-MFKMUULPSA-N -1 0 291.372 3.933 20 0 CHADRM CCCCc1ccc(N(C)CC2(CC(=O)[O-])CC2)cc1 ZINC001595796172 982600410 /nfs/dbraw/zinc/60/04/10/982600410.db2.gz IPZUXCHUSHGKBK-UHFFFAOYSA-N -1 0 275.392 3.720 20 0 CHADRM CCCCn1ncc(N[C@@H](C)CC(C)(C)CC(=O)[O-])c1C ZINC001595809778 982640626 /nfs/dbraw/zinc/64/06/26/982640626.db2.gz BQXPBFKLJBOLSO-LBPRGKRZSA-N 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CCCC[C@H](CCC)CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001595632288 981853412 /nfs/dbraw/zinc/85/34/12/981853412.db2.gz DANWUAGONKXYMC-ZNMIVQPWSA-N -1 0 297.439 3.600 20 0 CHADRM CCCC[C@H](CC)CCCN(C)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001595632842 981861196 /nfs/dbraw/zinc/86/11/96/981861196.db2.gz SUCBZRJPJBKIOU-SOUVJXGZSA-N -1 0 297.439 3.552 20 0 CHADRM CCC(C)(C)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001594794488 981871916 /nfs/dbraw/zinc/87/19/16/981871916.db2.gz NAQLYTHLSGAKIU-CQSZACIVSA-N -1 0 290.359 3.742 20 0 CHADRM CCC(C)(C)CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594801154 981894989 /nfs/dbraw/zinc/89/49/89/981894989.db2.gz DBYKDQLHWIBHCX-UHFFFAOYSA-N -1 0 290.285 3.647 20 0 CHADRM CCC(C)(C)CNC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001594801125 981895067 /nfs/dbraw/zinc/89/50/67/981895067.db2.gz BUMQJFLUPHDOIT-UHFFFAOYSA-N -1 0 298.408 3.621 20 0 CHADRM CCCC[C@H](NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)[O-] ZINC001595634999 981897317 /nfs/dbraw/zinc/89/73/17/981897317.db2.gz 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ZINC000910945540 982170613 /nfs/dbraw/zinc/17/06/13/982170613.db2.gz CONJEXCFZQPZSE-VIFPVBQESA-N -1 0 295.404 3.727 20 0 CHADRM CCCCC[C@H](Nc1nc2ccc(F)cc2s1)C(=O)[O-] ZINC001595687309 982179503 /nfs/dbraw/zinc/17/95/03/982179503.db2.gz OZJCZLAQQPBVMW-NSHDSACASA-N -1 0 296.367 3.881 20 0 CHADRM CCCCCC[C@@H](C)CC(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC001595696505 982229995 /nfs/dbraw/zinc/22/99/95/982229995.db2.gz ACKKDPOHJVKVQT-CABCVRRESA-N -1 0 297.439 3.839 20 0 CHADRM CCCCCC[C@@H](C)CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001595696532 982231424 /nfs/dbraw/zinc/23/14/24/982231424.db2.gz ASVXQYYWVBBTTK-ZIAGYGMSSA-N -1 0 299.455 3.989 20 0 CHADRM CCCCCC[C@@H](CC)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC001595696950 982236087 /nfs/dbraw/zinc/23/60/87/982236087.db2.gz GAHQZBMLHLAKGP-CQSZACIVSA-N -1 0 297.439 3.887 20 0 CHADRM CC[C@H](C)[C@@H](C)Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594883587 982253493 /nfs/dbraw/zinc/25/34/93/982253493.db2.gz SYBXGHCCZBOYQD-JGVFFNPUSA-N -1 0 290.285 3.645 20 0 CHADRM CC[C@H](C)[C@@H](C)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594883881 982257554 /nfs/dbraw/zinc/25/75/54/982257554.db2.gz YWIOQTFYLUZGNF-WDEREUQCSA-N -1 0 272.348 3.780 20 0 CHADRM CCCCCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)C(C)C ZINC001595714526 982309611 /nfs/dbraw/zinc/30/96/11/982309611.db2.gz BYIVQXIVYJMXTE-UHFFFAOYSA-N -1 0 295.354 3.565 20 0 CHADRM CC[C@H](C)[C@H](Sc1ccc2c(c1)CCC2)C(=O)[O-] ZINC001594928302 982534960 /nfs/dbraw/zinc/53/49/60/982534960.db2.gz GGWRVVFTZPVJSH-HZMBPMFUSA-N -1 0 264.390 3.767 20 0 CHADRM CC[C@H](C)[C@H](Sc1ncc(C(C)C)n1C1CC1)C(=O)[O-] ZINC001594928490 982537637 /nfs/dbraw/zinc/53/76/37/982537637.db2.gz JDRORXORDGSIJT-GWCFXTLKSA-N -1 0 296.436 3.933 20 0 CHADRM CC[C@H](C)CCC(=O)Nc1scc(C(=O)[O-])c1C ZINC001594957180 982691816 /nfs/dbraw/zinc/69/18/16/982691816.db2.gz KMWBRPOXAPUODK-QMMMGPOBSA-N -1 0 269.366 3.520 20 0 CHADRM CC[C@H](C)CCCCC(=O)N1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC001594959603 982708474 /nfs/dbraw/zinc/70/84/74/982708474.db2.gz 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O=C([O-])[C@H]1CCCC[C@@H]1CSc1ccccc1 ZINC000196215127 959625907 /nfs/dbraw/zinc/62/59/07/959625907.db2.gz IMHSDNULRKCRML-YPMHNXCESA-N -1 0 250.363 3.670 20 0 CHADRM Cc1ccc(OCc2ccc(C(=O)[O-])c(F)c2)cc1F ZINC000226407443 959876866 /nfs/dbraw/zinc/87/68/66/959876866.db2.gz AKFBNGYYUNBIGO-UHFFFAOYSA-N -1 0 278.254 3.550 20 0 CHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCCC1(C)C ZINC000226496639 959889770 /nfs/dbraw/zinc/88/97/70/959889770.db2.gz WKXGZZFVQQIOSE-CYBMUJFWSA-N -1 0 289.375 3.848 20 0 CHADRM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H]1CCCCC1(C)C ZINC000226517315 959893270 /nfs/dbraw/zinc/89/32/70/959893270.db2.gz XKTGDDIJBSSSTG-JTQLQIEISA-N -1 0 295.404 3.910 20 0 CHADRM O=C([O-])c1ccc2c(c1)N(Cc1ccccc1Cl)CC2 ZINC000228536454 960022804 /nfs/dbraw/zinc/02/28/04/960022804.db2.gz SNSLWJVNHKBFNR-UHFFFAOYSA-N -1 0 287.746 3.601 20 0 CHADRM Cc1cc([C@@H](C)NCc2cc(C(=O)[O-])ccc2F)c(C)o1 ZINC000231030661 960183187 /nfs/dbraw/zinc/18/31/87/960183187.db2.gz ZVOAZXBXDZTFCE-SNVBAGLBSA-N -1 0 291.322 3.585 20 0 CHADRM CC(C)Oc1ccc(NCc2cccc(C(=O)[O-])c2)cc1 ZINC000232445473 960273284 /nfs/dbraw/zinc/27/32/84/960273284.db2.gz RUQPFMQKVACXCL-UHFFFAOYSA-N -1 0 285.343 3.784 20 0 CHADRM Cc1oc(CNc2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000232445590 960274333 /nfs/dbraw/zinc/27/43/33/960274333.db2.gz RPLUJJHMADRKMR-UHFFFAOYSA-N -1 0 283.686 3.691 20 0 CHADRM CC(C)(C)c1ccc(OCc2cccc(C(=O)[O-])n2)cc1 ZINC000232522741 960279603 /nfs/dbraw/zinc/27/96/03/960279603.db2.gz JQVAGCVANYRSEZ-UHFFFAOYSA-N -1 0 285.343 3.656 20 0 CHADRM CCCCCSCc1ccc(F)cc1C(=O)[O-] ZINC000233064643 960314415 /nfs/dbraw/zinc/31/44/15/960314415.db2.gz VODOXKUYAZKSNP-UHFFFAOYSA-N -1 0 256.342 3.947 20 0 CHADRM Cc1cc(C)nc(SCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000235841587 960515622 /nfs/dbraw/zinc/51/56/22/960515622.db2.gz YUPUVZYVTGYVIL-UHFFFAOYSA-N -1 0 291.347 3.828 20 0 CHADRM C/C(=C/C(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000236675504 960729245 /nfs/dbraw/zinc/72/92/45/960729245.db2.gz KATYTCKOOHRXOK-LUAWRHEFSA-N -1 0 299.301 3.566 20 0 CHADRM CCCCC[C@@H](NC(=O)CCCC(=O)[O-])c1ccccc1 ZINC001261503436 960736276 /nfs/dbraw/zinc/73/62/76/960736276.db2.gz ZQPDQRLZVFEHMR-OAHLLOKOSA-N -1 0 291.391 3.679 20 0 CHADRM CCCCC[C@H](CC)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001573841240 961077142 /nfs/dbraw/zinc/07/71/42/961077142.db2.gz RGDWQJPTIJSFEO-AWEZNQCLSA-N -1 0 291.391 3.608 20 0 CHADRM Cc1cccc2oc(C(=O)Nc3cccc(C(=O)[O-])c3)cc21 ZINC001574401888 961239074 /nfs/dbraw/zinc/23/90/74/961239074.db2.gz FWTQPUIPCNUAIB-UHFFFAOYSA-N -1 0 295.294 3.692 20 0 CHADRM Cc1cc(C)c(NCc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000258738509 961361370 /nfs/dbraw/zinc/36/13/70/961361370.db2.gz VXHMIAMUZKLMKJ-UHFFFAOYSA-N -1 0 269.344 3.922 20 0 CHADRM CC(C)CC1(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])CCC1 ZINC001588861420 962000186 /nfs/dbraw/zinc/00/01/86/962000186.db2.gz UPZRNQWBDMWFPZ-ZDUSSCGKSA-N -1 0 297.439 3.599 20 0 CHADRM C=C/C=C\CCOc1ccc(C(=O)[O-])c(Cl)c1 ZINC001573351664 962981294 /nfs/dbraw/zinc/98/12/94/962981294.db2.gz WLGKHVGMGOUWHH-ARJAWSKDSA-N -1 0 252.697 3.549 20 0 CHADRM C[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)[C@H](C)C(C)(C)C ZINC001573364874 963052586 /nfs/dbraw/zinc/05/25/86/963052586.db2.gz SRBALUWGIMKPFP-RYUDHWBXSA-N -1 0 291.391 3.571 20 0 CHADRM Cc1sc(CCCC(=O)[O-])nc1-c1cccc(F)c1 ZINC000302328127 963075197 /nfs/dbraw/zinc/07/51/97/963075197.db2.gz FTSVNDVRJJWDQV-UHFFFAOYSA-N -1 0 279.336 3.665 20 0 CHADRM O=C([O-])c1ccc(OC[C@H]2CCC(F)(F)C2)c(Cl)c1 ZINC000306011813 963175800 /nfs/dbraw/zinc/17/58/00/963175800.db2.gz OYTNLOORMMVFSS-QMMMGPOBSA-N -1 0 290.693 3.852 20 0 CHADRM CC[C@H](CC(C)C)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000307994151 963245322 /nfs/dbraw/zinc/24/53/22/963245322.db2.gz QZQMETVTMNWVRX-LLVKDONJSA-N -1 0 288.347 3.975 20 0 CHADRM CC[C@@H](CC(C)C)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC000307997269 963247045 /nfs/dbraw/zinc/24/70/45/963247045.db2.gz ATIXFLUWOUBVBW-JTQLQIEISA-N -1 0 283.393 3.766 20 0 CHADRM CCC[C@@H](CC(C)C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000308001918 963248370 /nfs/dbraw/zinc/24/83/70/963248370.db2.gz QXUUOJYRROPZJH-CABCVRRESA-N -1 0 297.439 3.552 20 0 CHADRM CCc1ccc(NC(=O)[C@@H](CC)CC(C)C)c(C(=O)[O-])c1 ZINC000308027011 963253831 /nfs/dbraw/zinc/25/38/31/963253831.db2.gz RUEYVVYYSOBJHR-ZDUSSCGKSA-N -1 0 291.391 3.958 20 0 CHADRM CCC[C@H](CC(C)C)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000308034209 963256237 /nfs/dbraw/zinc/25/62/37/963256237.db2.gz ZSLUEECRZUZHKW-LLVKDONJSA-N -1 0 295.354 3.925 20 0 CHADRM O=C([O-])c1csc(SCc2ccc(Cl)cc2)n1 ZINC000311800757 963512672 /nfs/dbraw/zinc/51/26/72/963512672.db2.gz UCGCCCOJTSBWTM-UHFFFAOYSA-N -1 0 285.777 3.787 20 0 CHADRM CCC(CC)COc1cc(/C=C\C(=O)[O-])ccc1OC ZINC000312180573 963542687 /nfs/dbraw/zinc/54/26/87/963542687.db2.gz IUXIIRJURWKFRP-CLFYSBASSA-N -1 0 278.348 3.608 20 0 CHADRM CCCC[C@H](C)C(=O)Nc1ccc(CC)cc1C(=O)[O-] ZINC000312400930 963558818 /nfs/dbraw/zinc/55/88/18/963558818.db2.gz QCCLGRVBOAHGHS-NSHDSACASA-N -1 0 277.364 3.712 20 0 CHADRM Cc1oc(COc2cccc3ccc(C)nc32)cc1C(=O)[O-] ZINC000314372547 963745051 /nfs/dbraw/zinc/74/50/51/963745051.db2.gz ZGBAFJMVSSMVNV-UHFFFAOYSA-N -1 0 297.310 3.722 20 0 CHADRM C[C@@H]1CCC[C@@H](CN2C[C@H](C(=O)[O-])Cc3ccccc32)C1 ZINC000314765787 963806539 /nfs/dbraw/zinc/80/65/39/963806539.db2.gz SPIMPZZPDLCRNK-IIAWOOMASA-N -1 0 287.403 3.576 20 0 CHADRM Cc1cccc(N(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000315247012 963868603 /nfs/dbraw/zinc/86/86/03/963868603.db2.gz NJICXOLGESHEGE-UHFFFAOYSA-N -1 0 298.342 3.670 20 0 CHADRM C[C@H](c1ccccc1F)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000315954750 963957932 /nfs/dbraw/zinc/95/79/32/963957932.db2.gz IRVBPAJBZPEXKH-WBMJQRKESA-N -1 0 299.345 3.571 20 0 CHADRM Cc1csc(Nc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000042417652 1118042250 /nfs/dbraw/zinc/04/22/50/1118042250.db2.gz BLXGTHNTMIDBJA-UHFFFAOYSA-N -1 0 268.725 3.547 20 0 CHADRM C[C@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)CC(C)(C)C ZINC000043584035 967526003 /nfs/dbraw/zinc/52/60/03/967526003.db2.gz GXQGGOKNNNENFT-ZIAGYGMSSA-N -1 0 297.439 3.552 20 0 CHADRM CC[C@H](C)CSCCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC000394362975 972704808 /nfs/dbraw/zinc/70/48/08/972704808.db2.gz LGFAVRBQUHIWKB-XURPKSDJSA-N -1 0 294.416 3.943 20 0 CHADRM Cc1ccc(C)c(S[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000395819937 972833591 /nfs/dbraw/zinc/83/35/91/972833591.db2.gz QUFGPKZIYNMJOT-LBPRGKRZSA-N -1 0 252.379 3.895 20 0 CHADRM Cc1cc2sc(NC3(CC(=O)[O-])CCC3)nc2c(C)c1 ZINC001605153081 972842847 /nfs/dbraw/zinc/84/28/47/972842847.db2.gz UTRLPNYYADACSQ-UHFFFAOYSA-N -1 0 290.388 3.722 20 0 CHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)c2ccccc2)cc1 ZINC000396347249 972859373 /nfs/dbraw/zinc/85/93/73/972859373.db2.gz BLOPQJGFVIJLRB-GFCCVEGCSA-N -1 0 298.342 3.543 20 0 CHADRM Cc1ccc(NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000396542389 972915158 /nfs/dbraw/zinc/91/51/58/972915158.db2.gz BIXBWRWSUKBJJP-GFCCVEGCSA-N -1 0 298.342 3.827 20 0 CHADRM CC1CC(CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)C1 ZINC001603376186 972935679 /nfs/dbraw/zinc/93/56/79/972935679.db2.gz RNMVRKBBYCAULV-SLTAFYQDSA-N -1 0 287.403 3.576 20 0 CHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 ZINC001603523793 973560057 /nfs/dbraw/zinc/56/00/57/973560057.db2.gz QGKIFXOHMRIFME-UONOGXRCSA-N -1 0 297.439 3.599 20 0 CHADRM O=C([O-])C1(CSc2ccc3ccccc3n2)CCCC1 ZINC000405183911 973772238 /nfs/dbraw/zinc/77/22/38/973772238.db2.gz ZWJVYSXIDJNINJ-UHFFFAOYSA-N -1 0 287.384 3.972 20 0 CHADRM O=C([O-])C1(CSCc2ccccc2)CCCC1 ZINC000405199555 973779832 /nfs/dbraw/zinc/77/98/32/973779832.db2.gz RHDDFAZJNBPFSV-UHFFFAOYSA-N -1 0 250.363 3.565 20 0 CHADRM Cc1ccc(C(=O)[O-])cc1OCCC(C)(C)C1CC1 ZINC000406044924 973915264 /nfs/dbraw/zinc/91/52/64/973915264.db2.gz XADZIVPXXLNRHN-UHFFFAOYSA-N -1 0 262.349 3.898 20 0 CHADRM Cc1ccoc1CNc1cc(C(=O)[O-])ccc1OC(C)C ZINC000417573850 973961910 /nfs/dbraw/zinc/96/19/10/973961910.db2.gz YJPUSJOQOSHPAC-UHFFFAOYSA-N -1 0 289.331 3.686 20 0 CHADRM CCCCSCCC(=O)Nc1c(C)cccc1C(=O)[O-] ZINC001603652460 974014701 /nfs/dbraw/zinc/01/47/01/974014701.db2.gz GKRSIHNYAQISIT-UHFFFAOYSA-N -1 0 295.404 3.555 20 0 CHADRM O=C([O-])c1c(F)ccc(NC(=O)CCCC2CC2)c1Cl ZINC001605677115 974090241 /nfs/dbraw/zinc/09/02/41/974090241.db2.gz MNWXWDSKZIFQOZ-UHFFFAOYSA-N -1 0 299.729 3.696 20 0 CHADRM O=C([O-])c1cnc(/C=C/C=C\c2ccc(F)c(F)c2)s1 ZINC000504711306 974271754 /nfs/dbraw/zinc/27/17/54/974271754.db2.gz IANUUXUMBLSRJK-HSFFGMMNSA-N -1 0 293.294 3.846 20 0 CHADRM CC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])CC1 ZINC001603960325 974438955 /nfs/dbraw/zinc/43/89/55/974438955.db2.gz RBXPWMJIRRRERJ-IHRRRGAJSA-N -1 0 297.439 3.599 20 0 CHADRM Cc1cc(C)c(C(=O)Nc2cc(C(=O)[O-])cs2)c(C)c1 ZINC000565415735 974581440 /nfs/dbraw/zinc/58/14/40/974581440.db2.gz UHZXWDVULREOMN-UHFFFAOYSA-N -1 0 289.356 3.624 20 0 CHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CC[C@@H](C)CC2)cc1 ZINC000570165785 974705842 /nfs/dbraw/zinc/70/58/42/974705842.db2.gz CNSPKLLFFHTGAO-OBJOEFQTSA-N -1 0 289.375 3.640 20 0 CHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CC2=CCCCC2)cc1 ZINC000630327880 975255438 /nfs/dbraw/zinc/25/54/38/975255438.db2.gz ZAAMHAWWGMFOQP-JKSUJKDBSA-N -1 0 299.370 3.704 20 0 CHADRM CCN(Cc1ccc(Cl)s1)Cc1occc1C(=O)[O-] ZINC000652377027 975515672 /nfs/dbraw/zinc/51/56/72/975515672.db2.gz SFBACRSCHONISK-UHFFFAOYSA-N -1 0 299.779 3.715 20 0 CHADRM CC(C)Oc1cc(F)ccc1NCc1cc(C(=O)[O-])co1 ZINC001591755402 975818825 /nfs/dbraw/zinc/81/88/25/975818825.db2.gz JKITWCZKRJTWBY-UHFFFAOYSA-N -1 0 293.294 3.516 20 0 CHADRM CC(C)Oc1cccc(N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC001591795911 976004305 /nfs/dbraw/zinc/00/43/05/976004305.db2.gz UKECRVCNHUDDOJ-AWEZNQCLSA-N -1 0 291.372 3.773 20 0 CHADRM CC(C)SCSCc1ccccc1C(=O)[O-] ZINC001591828772 976088263 /nfs/dbraw/zinc/08/82/63/976088263.db2.gz WQXLECYTCNKZAK-UHFFFAOYSA-N -1 0 256.392 3.717 20 0 CHADRM CC(C)c1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC001591947529 976490862 /nfs/dbraw/zinc/49/08/62/976490862.db2.gz NCBJJYYRYOPFKN-UHFFFAOYSA-N -1 0 298.338 3.656 20 0 CHADRM CC(C)c1ccc(N(C)CC2(CC(=O)[O-])CC2)cc1 ZINC001591957611 976531550 /nfs/dbraw/zinc/53/15/50/976531550.db2.gz SMHVOHVWCXVYTJ-UHFFFAOYSA-N -1 0 261.365 3.501 20 0 CHADRM CC(C)c1cccc(N(C)Cc2cncc(C(=O)[O-])c2)c1 ZINC001591991464 976617964 /nfs/dbraw/zinc/61/79/64/976617964.db2.gz GSQODPNDBQZKGB-UHFFFAOYSA-N -1 0 284.359 3.540 20 0 CHADRM CC(C)c1ccccc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001591994316 976631436 /nfs/dbraw/zinc/63/14/36/976631436.db2.gz JEJISIVZSGLRKE-UHFFFAOYSA-N -1 0 289.356 3.822 20 0 CHADRM CC(C)c1cnc(SCC(C)(C)C(=O)[O-])n1C1CC1 ZINC001592002927 976658075 /nfs/dbraw/zinc/65/80/75/976658075.db2.gz SBZUGQNZLLKDHX-UHFFFAOYSA-N -1 0 282.409 3.544 20 0 CHADRM CC(C)c1cnc(CSCc2ccccc2C(=O)[O-])o1 ZINC001592003181 976658964 /nfs/dbraw/zinc/65/89/64/976658964.db2.gz YGRJZKCSMHAUPL-UHFFFAOYSA-N -1 0 291.372 3.930 20 0 CHADRM C[C@H](C1CC1)N(Cc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001592180259 977088799 /nfs/dbraw/zinc/08/87/99/977088799.db2.gz ALNKSYQQJMDABM-CYBMUJFWSA-N -1 0 296.370 3.585 20 0 CHADRM C[C@H](CC(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C)CC(C)(C)C ZINC001592226936 977421840 /nfs/dbraw/zinc/42/18/40/977421840.db2.gz JCFVTNQMIBRNGM-YIYPIFLZSA-N -1 0 297.439 3.549 20 0 CHADRM C[C@H](CC(=O)Nc1c(C(=O)[O-])ccc2ccccc21)C1CC1 ZINC001592262040 977506005 /nfs/dbraw/zinc/50/60/05/977506005.db2.gz MELDOKJHZGGTBP-LLVKDONJSA-N -1 0 297.354 3.913 20 0 CHADRM C[C@H](c1cccs1)[N@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC000711379410 977538763 /nfs/dbraw/zinc/53/87/63/977538763.db2.gz SZNSELCSMYHNMA-SECBINFHSA-N -1 0 281.402 3.701 20 0 CHADRM C[C@H](CC(=O)[O-])S[C@H](C)c1nccn1-c1ccccc1 ZINC001592420748 978030938 /nfs/dbraw/zinc/03/09/38/978030938.db2.gz HNJQGSXBOAIQFF-VXGBXAGGSA-N -1 0 290.388 3.530 20 0 CHADRM C[C@H](CC(=O)[O-])SC/C=C\c1ccc(Cl)cc1 ZINC001592422641 978037844 /nfs/dbraw/zinc/03/78/44/978037844.db2.gz UUIVMKNZGPNWJH-MXQLGCADSA-N -1 0 270.781 3.950 20 0 CHADRM C[C@H](CC(=O)[O-])c1ccc(-c2ccc(F)cc2CO)cc1 ZINC001592423824 978041911 /nfs/dbraw/zinc/04/19/11/978041911.db2.gz HYBQNOZVESLRDO-LLVKDONJSA-N -1 0 288.318 3.563 20 0 CHADRM C[C@H](CC(=O)[O-])SCC[C@H](C)OCc1ccccc1 ZINC001592537246 978411369 /nfs/dbraw/zinc/41/13/69/978411369.db2.gz IVHYKVJLNCDHDB-QWHCGFSZSA-N -1 0 282.405 3.578 20 0 CHADRM CC[C@H](C)[C@H](C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000761729713 978714658 /nfs/dbraw/zinc/71/46/58/978714658.db2.gz UAGJRPVOPJDZFV-IUCAKERBSA-N -1 0 283.755 3.659 20 0 CHADRM O=C([O-])c1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1 ZINC000765824190 978723887 /nfs/dbraw/zinc/72/38/87/978723887.db2.gz KZRGDUCPTDTGPI-QPEQYQDCSA-N -1 0 299.713 3.531 20 0 CHADRM O=C([O-])c1cccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1 ZINC000774122888 978746366 /nfs/dbraw/zinc/74/63/66/978746366.db2.gz YWKXRQVYIJMRQZ-QPEQYQDCSA-N -1 0 299.713 3.531 20 0 CHADRM Cc1ccc(NCC2=Cc3ccccc3OC2)cc1C(=O)[O-] ZINC000789902451 978798754 /nfs/dbraw/zinc/79/87/54/978798754.db2.gz OIEUJXAOBRDKPU-UHFFFAOYSA-N -1 0 295.338 3.581 20 0 CHADRM CCCCCC[C@@H](CC)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000799243692 978837002 /nfs/dbraw/zinc/83/70/02/978837002.db2.gz UZCWFYRUVOWKPR-GFCCVEGCSA-N -1 0 295.379 3.591 20 0 CHADRM CC[C@@H](CC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C(C)C ZINC001595037125 979203391 /nfs/dbraw/zinc/20/33/91/979203391.db2.gz PSOABGPZKFGAHS-VIFPVBQESA-N -1 0 299.317 3.674 20 0 CHADRM CCC(CC)(CC)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001595057860 979303689 /nfs/dbraw/zinc/30/36/89/979303689.db2.gz ONLVOASUCUPSPB-UHFFFAOYSA-N -1 0 283.393 3.910 20 0 CHADRM CCC(CC)(CC)NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595060295 979315372 /nfs/dbraw/zinc/31/53/72/979315372.db2.gz MVUQNMPWRXOTJV-UHFFFAOYSA-N -1 0 292.379 3.784 20 0 CHADRM O=C([O-])c1cc(NC(=O)/C=C/C2CCCC2)ccc1Cl ZINC000846113897 979403951 /nfs/dbraw/zinc/40/39/51/979403951.db2.gz BWOZBZVWHCJCDM-VMPITWQZSA-N -1 0 293.750 3.723 20 0 CHADRM CCC(CC)[C@H](C)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001595106221 979429807 /nfs/dbraw/zinc/42/98/07/979429807.db2.gz YWPWGIQLJAPPKB-SWLSCSKDSA-N -1 0 297.439 3.599 20 0 CHADRM CCC(CC)CC(=O)Nc1c(C)csc1C(=O)[O-] ZINC001595110044 979451429 /nfs/dbraw/zinc/45/14/29/979451429.db2.gz VNZQHVBWJDBVFH-UHFFFAOYSA-N -1 0 269.366 3.520 20 0 CHADRM CCC(CC)SCc1ccccc1CC(=O)[O-] ZINC001595121796 979496101 /nfs/dbraw/zinc/49/61/01/979496101.db2.gz VTBACCPPYALPRQ-UHFFFAOYSA-N -1 0 252.379 3.736 20 0 CHADRM CCCC[C@H](Sc1ncnc2sc(C)cc21)C(=O)[O-] ZINC000849347800 979499051 /nfs/dbraw/zinc/49/90/51/979499051.db2.gz AWFMSLCMEVDBAQ-JTQLQIEISA-N -1 0 296.417 3.735 20 0 CHADRM CCC(C)(C)N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073818036 1118384524 /nfs/dbraw/zinc/38/45/24/1118384524.db2.gz DFNOLBRLCNXGJW-UHFFFAOYSA-N -1 0 278.377 3.751 20 0 CHADRM C[C@H](CS[C@H]1CCCc2ccc(F)cc21)C(=O)[O-] ZINC001592824652 979537838 /nfs/dbraw/zinc/53/78/38/979537838.db2.gz LTFGDGGKZWAJIU-RNCFNFMXSA-N -1 0 268.353 3.657 20 0 CHADRM CSC1(CNc2ccc3c(C(=O)[O-])c[nH]c3c2)CCC1 ZINC000859819730 979653154 /nfs/dbraw/zinc/65/31/54/979653154.db2.gz HRBGJMISGCEXIA-UHFFFAOYSA-N -1 0 290.388 3.564 20 0 CHADRM CC(C)CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864225973 979912019 /nfs/dbraw/zinc/91/20/19/979912019.db2.gz VQAFBHQQROCTMO-UHFFFAOYSA-N -1 0 271.316 3.523 20 0 CHADRM O=C([O-])c1cc(N[C@@H]2CCCOCC2)cc2ccccc21 ZINC000864361778 979932766 /nfs/dbraw/zinc/93/27/66/979932766.db2.gz QOYFNSBYILEDJC-CYBMUJFWSA-N -1 0 285.343 3.519 20 0 CHADRM CC[C@@H](CSc1cc(Cl)ccc1C(=O)[O-])OC ZINC001595203074 979961312 /nfs/dbraw/zinc/96/13/12/979961312.db2.gz JEZWUKRVQPXEPQ-VIFPVBQESA-N -1 0 274.769 3.555 20 0 CHADRM CC[C@H](N[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1nccs1 ZINC001595278544 980311566 /nfs/dbraw/zinc/31/15/66/980311566.db2.gz FXOXBBPVUNMNET-UWVGGRQHSA-N -1 0 294.376 3.545 20 0 CHADRM C[C@@H](Nc1ccc(C(C)(C)C(=O)[O-])cc1)[C@@H]1CC1(F)F ZINC000901515160 980332818 /nfs/dbraw/zinc/33/28/18/980332818.db2.gz YVUGAIJYOABUPM-SKDRFNHKSA-N -1 0 283.318 3.504 20 0 CHADRM CC[C@H](Nc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1 ZINC001595317603 980494684 /nfs/dbraw/zinc/49/46/84/980494684.db2.gz XFTFOUHPEIZBEC-ZDUSSCGKSA-N -1 0 290.750 3.996 20 0 CHADRM C[C@H](CCc1cccnc1)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901814586 980535809 /nfs/dbraw/zinc/53/58/09/980535809.db2.gz MLHAGANECREZHS-KGLIPLIRSA-N -1 0 298.386 3.703 20 0 CHADRM C[C@H](C(=O)[O-])c1cccc(N[C@@H]2CCCC23CC3)c1 ZINC000901818220 980537796 /nfs/dbraw/zinc/53/77/96/980537796.db2.gz VXJHFEHKTSVRML-SMDDNHRTSA-N -1 0 259.349 3.619 20 0 CHADRM CC[C@@H](OC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001595346368 980636006 /nfs/dbraw/zinc/63/60/06/980636006.db2.gz FJEACQGXXAHBQP-MRXNPFEDSA-N -1 0 298.338 3.622 20 0 CHADRM CC[C@H](OC(=O)c1ccc(C(=O)[O-])o1)c1ccc(C)cc1 ZINC001595349026 980650208 /nfs/dbraw/zinc/65/02/08/980650208.db2.gz PEVLNAOSOVCPDR-LBPRGKRZSA-N -1 0 288.299 3.594 20 0 CHADRM Cc1nc2ccc(N[C@@H](C)CC(C)(C)CC(=O)[O-])cc2o1 ZINC000902094472 980730686 /nfs/dbraw/zinc/73/06/86/980730686.db2.gz MKFIVAVGNMQKBW-JTQLQIEISA-N -1 0 290.363 3.828 20 0 CHADRM CCOc1cccc(NCc2cc(C(=O)[O-])c(CC)o2)c1 ZINC000902100121 980733671 /nfs/dbraw/zinc/73/36/71/980733671.db2.gz AWMSXFOUDUYOPO-UHFFFAOYSA-N -1 0 289.331 3.551 20 0 CHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cc(C)co1 ZINC001595362329 980770368 /nfs/dbraw/zinc/77/03/68/980770368.db2.gz BAEMYQCLYXIXNA-MRXNPFEDSA-N -1 0 287.359 3.626 20 0 CHADRM CCOCc1cccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)c1 ZINC000902215332 980786361 /nfs/dbraw/zinc/78/63/61/980786361.db2.gz RIGBOWSDKWYQAJ-XNRPHZJLSA-N -1 0 291.391 3.524 20 0 CHADRM CO[C@@H](C)c1cccc(NCc2cc(C(=O)[O-])cs2)c1 ZINC000902215294 980786387 /nfs/dbraw/zinc/78/63/87/980786387.db2.gz QLJFMMBFDAUIMT-JTQLQIEISA-N -1 0 291.372 3.766 20 0 CHADRM CCC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCCCC1 ZINC001595368159 980823529 /nfs/dbraw/zinc/82/35/29/980823529.db2.gz YJTYAJOAKSHUSS-UHFFFAOYSA-N -1 0 293.338 3.823 20 0 CHADRM CC[C@H](C)[C@H](CNc1ccc(SC)c(C(=O)[O-])c1)OC ZINC000902569184 980937343 /nfs/dbraw/zinc/93/73/43/980937343.db2.gz FMTCGTBOAKCNOU-GWCFXTLKSA-N -1 0 297.420 3.580 20 0 CHADRM CC1=C(C)C[C@](C)(C(=O)NCCCCCCC(=O)[O-])CC1 ZINC000907581109 981195965 /nfs/dbraw/zinc/19/59/65/981195965.db2.gz FQWCLHINUDVMAI-QGZVFWFLSA-N -1 0 295.423 3.664 20 0 CHADRM CC1=C(C)C[C@@](C)(C(=O)NCCCCCCC(=O)[O-])CC1 ZINC000907581106 981195972 /nfs/dbraw/zinc/19/59/72/981195972.db2.gz FQWCLHINUDVMAI-KRWDZBQOSA-N -1 0 295.423 3.664 20 0 CHADRM CC/C=C/CCOc1c(C(=O)[O-])cncc1C(F)(F)F ZINC001595520091 981334605 /nfs/dbraw/zinc/33/46/05/981334605.db2.gz BHAGMSNPQGAABQ-ONEGZZNKSA-N -1 0 289.253 3.534 20 0 CHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000908686982 981339863 /nfs/dbraw/zinc/33/98/63/981339863.db2.gz AIKYGQCTHUNCKK-GFCCVEGCSA-N -1 0 291.391 3.983 20 0 CHADRM CCCC(C)(C)CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001595538531 981392999 /nfs/dbraw/zinc/39/29/99/981392999.db2.gz NIGHBCCDADNCIN-UHFFFAOYSA-N -1 0 291.391 3.560 20 0 CHADRM CCC[C@@](C)(CC)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001595542985 981404856 /nfs/dbraw/zinc/40/48/56/981404856.db2.gz ZBFHRFPBHNDHPO-QGZVFWFLSA-N -1 0 291.391 3.859 20 0 CHADRM CC/C(C)=C(/C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000909108403 981419334 /nfs/dbraw/zinc/41/93/34/981419334.db2.gz TTXSZRXDFOXEOZ-HJWRWDBZSA-N -1 0 281.739 3.723 20 0 CHADRM CCC[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001595566171 981459602 /nfs/dbraw/zinc/45/96/02/981459602.db2.gz AYHQYKYPQILJTJ-WBMJQRKESA-N -1 0 299.370 3.518 20 0 CHADRM CCC/C(C)=C/C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001595566568 981461850 /nfs/dbraw/zinc/46/18/50/981461850.db2.gz QNXCJPHBZUYWQD-VMPITWQZSA-N -1 0 299.729 3.862 20 0 CHADRM CC(C)C[C@@H](C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000909298747 981465014 /nfs/dbraw/zinc/46/50/14/981465014.db2.gz VQTINMRDZBDPFT-GFCCVEGCSA-N -1 0 291.391 3.670 20 0 CHADRM CCC[C@@H](C)N(C)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595577888 981496766 /nfs/dbraw/zinc/49/67/66/981496766.db2.gz ANXNCOZOAAPJKH-MRVPVSSYSA-N -1 0 298.408 3.715 20 0 CHADRM CCC[C@H](CC)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001595585772 981525998 /nfs/dbraw/zinc/52/59/98/981525998.db2.gz CAEAHTPMUJUHDJ-JSGCOSHPSA-N -1 0 291.391 3.715 20 0 CHADRM CCC[C@H](CC)C(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-] ZINC001595586172 981529884 /nfs/dbraw/zinc/52/98/84/981529884.db2.gz QVQASJILIFKDGI-ZFWWWQNUSA-N -1 0 291.391 3.709 20 0 CHADRM CCC[C@H](CNc1cccc(CC(=O)[O-])n1)c1ccccc1 ZINC001595594617 981562197 /nfs/dbraw/zinc/56/21/97/981562197.db2.gz UZBAOWSVPKSCCA-OAHLLOKOSA-N -1 0 298.386 3.705 20 0 CHADRM CC(C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)=C1CCCC1 ZINC000909831727 981648788 /nfs/dbraw/zinc/64/87/88/981648788.db2.gz CSJLXHANPUBRIJ-GFCCVEGCSA-N -1 0 287.359 3.704 20 0 CHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595622491 981710901 /nfs/dbraw/zinc/71/09/01/981710901.db2.gz UJCGYCHJYOZMFY-BXUZGUMPSA-N -1 0 275.348 3.540 20 0 CHADRM CCCC[C@H](C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])C(C)C ZINC001595627835 981777766 /nfs/dbraw/zinc/77/77/66/981777766.db2.gz WDFLQAOJUAFWPQ-VBQJREDUSA-N -1 0 297.439 3.599 20 0 CHADRM CCCC[C@@H](C(=O)[O-])N1C[C@H](C(C)C)c2ccccc21 ZINC001595628498 981786929 /nfs/dbraw/zinc/78/69/29/981786929.db2.gz BFKVDTUVIHNMSS-ZBFHGGJFSA-N -1 0 275.392 3.890 20 0 CHADRM CCCC[C@](C)(F)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001595630841 981827099 /nfs/dbraw/zinc/82/70/99/981827099.db2.gz RZLATPVJVBDIDX-XPTSAGLGSA-N -1 0 286.299 3.500 20 0 CHADRM CCCC[C@H](CC)C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001595631991 981847233 /nfs/dbraw/zinc/84/72/33/981847233.db2.gz MSDUUSGJBUQCDB-LBPRGKRZSA-N -1 0 292.379 3.552 20 0 CHADRM CCCC[C@H](CC)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001595632020 981848540 /nfs/dbraw/zinc/84/85/40/981848540.db2.gz OIKDAWPHGLQVGG-CMPLNLGQSA-N -1 0 284.377 3.633 20 0 CHADRM CCCC[C@H](CC)C(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC001595632101 981849217 /nfs/dbraw/zinc/84/92/17/981849217.db2.gz RTDLMAJHWIMXTC-YOEHRIQHSA-N -1 0 297.439 3.695 20 0 CHADRM CC(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)=C1CCCC1 ZINC000910298264 981852326 /nfs/dbraw/zinc/85/23/26/981852326.db2.gz KDZUWCFWQZHOBG-JKSUJKDBSA-N -1 0 299.370 3.704 20 0 CHADRM CCCC[C@H](SC[C@H](OC)c1ccccc1)C(=O)[O-] ZINC001595654099 982039362 /nfs/dbraw/zinc/03/93/62/982039362.db2.gz 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/nfs/dbraw/zinc/11/53/99/982115399.db2.gz JYPMRTUVFVBELF-LBPRGKRZSA-N -1 0 278.348 3.897 20 0 CHADRM CCCCC[C@H](NC(=O)CCCCC(=O)[O-])C(C)(C)C ZINC001595672786 982136340 /nfs/dbraw/zinc/13/63/40/982136340.db2.gz STOAIAJWGQCPAN-ZDUSSCGKSA-N -1 0 285.428 3.743 20 0 CHADRM CC/C(C)=C(\C)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001594860589 982139613 /nfs/dbraw/zinc/13/96/13/982139613.db2.gz KQRVVXHMSOZHGI-CMDGGOBGSA-N -1 0 281.739 3.723 20 0 CHADRM CCCCC[C@H]1CCCN1c1ncc(C(=O)[O-])cc1Cl ZINC001595689534 982187424 /nfs/dbraw/zinc/18/74/24/982187424.db2.gz CMYRFAMZMBZKDM-LBPRGKRZSA-N -1 0 296.798 3.982 20 0 CHADRM CCCCCC[C@](C)(CC)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001595694499 982212452 /nfs/dbraw/zinc/21/24/52/982212452.db2.gz COSOKJMTYVXKEV-KVULBXGLSA-N -1 0 297.439 3.743 20 0 CHADRM CCCCCC[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001595694813 982214327 /nfs/dbraw/zinc/21/43/27/982214327.db2.gz HPZAEOONMKQEDH-HIFRSBDPSA-N -1 0 297.439 3.743 20 0 CHADRM CC[C@H](C)[C@@H](C)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] 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CCC[C@H](CC)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001595586287 981531327 /nfs/dbraw/zinc/53/13/27/981531327.db2.gz USOLLYCGJXHDGM-VIFPVBQESA-N -1 0 283.755 3.803 20 0 CHADRM CCC[C@H](CC)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001595586339 981531418 /nfs/dbraw/zinc/53/14/18/981531418.db2.gz WHQWSCXKEVUNEY-VIFPVBQESA-N -1 0 283.755 3.803 20 0 CHADRM CCC[C@H](CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001595586408 981532124 /nfs/dbraw/zinc/53/21/24/981532124.db2.gz YRQCYQVXLPRHBQ-NSHDSACASA-N -1 0 293.363 3.548 20 0 CHADRM CCC[C@@H](CNc1cccc(CC(=O)[O-])n1)c1ccccc1 ZINC001595594615 981562144 /nfs/dbraw/zinc/56/21/44/981562144.db2.gz UZBAOWSVPKSCCA-HNNXBMFYSA-N -1 0 298.386 3.705 20 0 CHADRM CCC(=CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)CC ZINC000909832698 981650577 /nfs/dbraw/zinc/65/05/77/981650577.db2.gz UJFOUQUNDONSTE-LLVKDONJSA-N -1 0 275.348 3.560 20 0 CHADRM CCCC[C@H](C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])C(C)C ZINC001595627448 981772221 /nfs/dbraw/zinc/77/22/21/981772221.db2.gz GAWIUOMHVLORTL-AWEZNQCLSA-N -1 0 299.455 3.797 20 0 CHADRM CCCC[C@H](C)C(=O)N(CC)c1ccccc1C(=O)[O-] ZINC001595630341 981817394 /nfs/dbraw/zinc/81/73/94/981817394.db2.gz CKRNBMKMGDWQBY-LBPRGKRZSA-N -1 0 277.364 3.564 20 0 CHADRM CCCC[C@@H](CC)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001595632022 981848435 /nfs/dbraw/zinc/84/84/35/981848435.db2.gz OIKDAWPHGLQVGG-PWSUYJOCSA-N -1 0 284.377 3.633 20 0 CHADRM CCCC[C@H](CC)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001595632021 981848447 /nfs/dbraw/zinc/84/84/47/981848447.db2.gz OIKDAWPHGLQVGG-JQWIXIFHSA-N -1 0 284.377 3.633 20 0 CHADRM CCCC[C@H](CCC)CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001595632286 981853255 /nfs/dbraw/zinc/85/32/55/981853255.db2.gz DANWUAGONKXYMC-SOUVJXGZSA-N -1 0 297.439 3.600 20 0 CHADRM CCCC[C@H](CCC)CNC(=O)c1oc(C(=O)[O-])cc1C ZINC001595632317 981853314 /nfs/dbraw/zinc/85/33/14/981853314.db2.gz DZJHMMIJHRDCEH-LBPRGKRZSA-N -1 0 295.379 3.623 20 0 CHADRM CCCC[C@H](CC)CC(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001595632667 981859057 /nfs/dbraw/zinc/85/90/57/981859057.db2.gz 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CCCC[C@@H](C)N(C)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000854534283 1123488801 /nfs/dbraw/zinc/48/88/01/1123488801.db2.gz ZYZVKMOKLSNUNH-SNVBAGLBSA-N -1 0 292.404 3.767 20 0 CHADRM O=C(CCc1ccccc1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474433146 1123529644 /nfs/dbraw/zinc/52/96/44/1123529644.db2.gz SWZQLVAZEHQAAD-UHFFFAOYSA-N -1 0 293.725 3.756 20 0 CHADRM CCC[C@H](C)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474446795 1123530773 /nfs/dbraw/zinc/53/07/73/1123530773.db2.gz PLGBYMDHEAURIO-ZETCQYMHSA-N -1 0 259.708 3.559 20 0 CHADRM CCSc1cccc(NC(=O)[C@@](C)(CC)CC(=O)[O-])c1 ZINC000634822405 1129129341 /nfs/dbraw/zinc/12/93/41/1129129341.db2.gz VABWWKDWBRTQGF-HNNXBMFYSA-N -1 0 295.404 3.628 20 0 CHADRM CCCc1ccc(NC(=O)CC(CC)(CC)C(=O)[O-])cc1 ZINC000011253886 1123569937 /nfs/dbraw/zinc/56/99/37/1123569937.db2.gz UAOQYRHXYSWKES-UHFFFAOYSA-N -1 0 291.391 3.859 20 0 CHADRM O=C(NCCc1cccs1)c1ccc2ccccc2c1O ZINC000017909694 1123598445 /nfs/dbraw/zinc/59/84/45/1123598445.db2.gz QSDFGMPIGXUJLU-UHFFFAOYSA-N -1 0 297.379 3.579 20 0 CHADRM CC(C)c1noc(=NCc2cccc(Cl)c2Cl)[n-]1 ZINC000346127569 1123665548 /nfs/dbraw/zinc/66/55/48/1123665548.db2.gz IMIQJQORLQZVLR-UHFFFAOYSA-N -1 0 286.162 3.534 20 0 CHADRM Cc1[nH]c2c(cc(C)cc2CN=c2[n-]c(C(C)C)no2)c1C ZINC000346883985 1123728243 /nfs/dbraw/zinc/72/82/43/1123728243.db2.gz ZPFXUZGTGUWSIK-UHFFFAOYSA-N -1 0 298.390 3.634 20 0 CHADRM C[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000118754114 1123791115 /nfs/dbraw/zinc/79/11/15/1123791115.db2.gz HWUXYTGFGPCOSH-SNVBAGLBSA-N -1 0 298.367 3.608 20 0 CHADRM CCc1ccc(-c2nc(-c3ccc(O)cc3F)no2)c(C)n1 ZINC000445459434 1124085243 /nfs/dbraw/zinc/08/52/43/1124085243.db2.gz AXVOQDBLLZRQKR-UHFFFAOYSA-N -1 0 299.305 3.514 20 0 CHADRM Oc1ccc(-c2noc(-c3ccc4cc[nH]c4c3)n2)c(F)c1 ZINC000445461573 1124085506 /nfs/dbraw/zinc/08/55/06/1124085506.db2.gz YEKFBMLDASZNIW-UHFFFAOYSA-N -1 0 295.273 3.730 20 0 CHADRM CC(C)(C)/C=C\c1nc(-c2ccc(O)cc2F)no1 ZINC000445457386 1124085818 /nfs/dbraw/zinc/08/58/18/1124085818.db2.gz NACHZVSDRZQQLF-SREVYHEPSA-N -1 0 262.284 3.641 20 0 CHADRM CCc1ccc(-n2[n-]c(-c3cccs3)cc2=O)cc1 ZINC001245922006 1131246206 /nfs/dbraw/zinc/24/62/06/1131246206.db2.gz ZABKNGQSNVGELO-UHFFFAOYSA-N -1 0 270.357 3.869 20 0 CHADRM Cc1cccc(-n2[n-]c(C3CC(F)(F)C3)cc2=O)c1C ZINC001245922878 1131246645 /nfs/dbraw/zinc/24/66/45/1131246645.db2.gz BNQSAGYSFLCTNL-UHFFFAOYSA-N -1 0 278.302 3.707 20 0 CHADRM CC(C)Cc1cc(=O)n(CCc2ccccc2Cl)[n-]1 ZINC001245933491 1131254058 /nfs/dbraw/zinc/25/40/58/1131254058.db2.gz UDBSXHQPAHAIJK-UHFFFAOYSA-N -1 0 278.783 3.683 20 0 CHADRM Cc1cc(C)cc(-c2cc(=O)n(CC3CCC3)[n-]2)c1 ZINC001245949418 1131259312 /nfs/dbraw/zinc/25/93/12/1131259312.db2.gz PGYYMROLKONKRX-UHFFFAOYSA-N -1 0 256.349 3.673 20 0 CHADRM Cc1nc2sc3c(c2c(C2CC2)c1CC(=O)[O-])CCC3 ZINC000527072385 1124548968 /nfs/dbraw/zinc/54/89/68/1124548968.db2.gz PWTMYIYFAZAWJB-UHFFFAOYSA-N -1 0 287.384 3.598 20 0 CHADRM CCC1(C)CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000819968302 1131268930 /nfs/dbraw/zinc/26/89/30/1131268930.db2.gz 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ZINC001239245011 1131306760 /nfs/dbraw/zinc/30/67/60/1131306760.db2.gz GTSKPVMJOFTIEY-UHFFFAOYSA-N -1 0 297.285 3.748 20 0 CHADRM O=C([O-])c1ccc(-c2ccc3cccc(F)c3n2)c(F)c1 ZINC001239246483 1131306771 /nfs/dbraw/zinc/30/67/71/1131306771.db2.gz CCTNYSXBUPELRW-UHFFFAOYSA-N -1 0 285.249 3.878 20 0 CHADRM CC(C)c1cccc(-c2ccc(C(=O)[O-])cc2F)n1 ZINC001239246891 1131307154 /nfs/dbraw/zinc/30/71/54/1131307154.db2.gz HUYJXBCQQMSHHR-UHFFFAOYSA-N -1 0 259.280 3.709 20 0 CHADRM O=Cc1ccc(-c2cc3cccnc3c(C(=O)[O-])c2)cc1F ZINC000874973112 1124873283 /nfs/dbraw/zinc/87/32/83/1124873283.db2.gz PPSRXLJDSYLWMQ-UHFFFAOYSA-N -1 0 295.269 3.552 20 0 CHADRM O=Cc1cccc(-c2ccccc2CC2(C(=O)[O-])CC2)c1 ZINC000874972858 1124873341 /nfs/dbraw/zinc/87/33/41/1124873341.db2.gz PTKFGWFZHFSYTD-UHFFFAOYSA-N -1 0 280.323 3.573 20 0 CHADRM O=Cc1ccc(-c2ccc3sc(C(=O)[O-])cc3c2)o1 ZINC000874972028 1124873775 /nfs/dbraw/zinc/87/37/75/1124873775.db2.gz JNUCSMYRLFQUPU-UHFFFAOYSA-N -1 0 272.281 3.672 20 0 CHADRM CC[C@@H](Cc1ccccc1-c1ccc(C=O)s1)C(=O)[O-] ZINC000874972441 1124873800 /nfs/dbraw/zinc/87/38/00/1124873800.db2.gz CHYDFMLKVXCLRB-NSHDSACASA-N -1 0 288.368 3.881 20 0 CHADRM O=Cc1ccc(-c2ccc(CSCC(=O)[O-])cc2)s1 ZINC000874973081 1124873873 /nfs/dbraw/zinc/87/38/73/1124873873.db2.gz VJEIYBRPHUATFK-UHFFFAOYSA-N -1 0 292.381 3.545 20 0 CHADRM O=Cc1ccc(-c2ccc(C3(C(=O)[O-])CCC3)cc2)s1 ZINC000874971708 1124874210 /nfs/dbraw/zinc/87/42/10/1124874210.db2.gz SYSQWNIYTDMYIN-UHFFFAOYSA-N -1 0 286.352 3.734 20 0 CHADRM C[C@]1(c2cccc(-c3cccc(C=O)c3)c2)C[C@@H]1C(=O)[O-] ZINC000874971879 1124874465 /nfs/dbraw/zinc/87/44/65/1124874465.db2.gz BJMRGVUJDSGVQZ-SJLPKXTDSA-N -1 0 280.323 3.528 20 0 CHADRM O=Cc1ccc(-c2ccccc2CCCC(=O)[O-])cc1F ZINC000874973412 1124875423 /nfs/dbraw/zinc/87/54/23/1124875423.db2.gz JQBMQWRKVNUQDR-UHFFFAOYSA-N -1 0 286.302 3.713 20 0 CHADRM Cc1nc(C)c(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)o1 ZINC000821033154 1131317179 /nfs/dbraw/zinc/31/71/79/1131317179.db2.gz YWJPRMUDECCZPZ-FPLPWBNLSA-N -1 0 294.310 3.708 20 0 CHADRM O=C([O-])c1c(F)cc(-c2nccc3sccc32)cc1F ZINC001239332859 1131318325 /nfs/dbraw/zinc/31/83/25/1131318325.db2.gz UBOBDEZVZQJTLI-UHFFFAOYSA-N -1 0 291.278 3.940 20 0 CHADRM Cc1cc2cc(-c3cc(F)c(C(=O)[O-])c(F)c3)ncc2[nH]1 ZINC001239336653 1131319030 /nfs/dbraw/zinc/31/90/30/1131319030.db2.gz IPKSGYFKLJAQML-UHFFFAOYSA-N -1 0 288.253 3.515 20 0 CHADRM Cc1nc2cc(-c3cc(F)c(C(=O)[O-])c(F)c3)ccc2o1 ZINC001239345606 1131320650 /nfs/dbraw/zinc/32/06/50/1131320650.db2.gz AECCXIDPAFKPKW-UHFFFAOYSA-N -1 0 289.237 3.780 20 0 CHADRM Cc1ccc(C)c(C(=O)NCCCC(C)(C)C)c1C(=O)[O-] ZINC000313187256 1124948265 /nfs/dbraw/zinc/94/82/65/1124948265.db2.gz AWXNPSYWZRQGIT-UHFFFAOYSA-N -1 0 291.391 3.558 20 0 CHADRM Cc1cc(F)c(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1F ZINC001239351327 1131321064 /nfs/dbraw/zinc/32/10/64/1131321064.db2.gz DQANMFNERZLCKM-UHFFFAOYSA-N -1 0 284.208 3.917 20 0 CHADRM CCOc1cccc(F)c1-c1cc(F)c(C(=O)[O-])c(F)c1 ZINC001239351954 1131321083 /nfs/dbraw/zinc/32/10/83/1131321083.db2.gz OMNHWZBTKPCSTO-UHFFFAOYSA-N -1 0 296.244 3.868 20 0 CHADRM O=C([O-])c1c(F)cc(-c2ccc3nscc3c2)cc1F ZINC001239352334 1131321233 /nfs/dbraw/zinc/32/12/33/1131321233.db2.gz BKAPBOAASPGSKJ-UHFFFAOYSA-N -1 0 291.278 3.940 20 0 CHADRM O=C([O-])c1c(F)cc(-c2ccc3c(c2)NCCC3)cc1F ZINC001239352538 1131321407 /nfs/dbraw/zinc/32/14/07/1131321407.db2.gz UUKWWVMJXOPTAI-UHFFFAOYSA-N -1 0 289.281 3.688 20 0 CHADRM C=COc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001239365708 1131321492 /nfs/dbraw/zinc/32/14/92/1131321492.db2.gz VXCOTHSTTVDSMH-UHFFFAOYSA-N -1 0 276.238 3.852 20 0 CHADRM O=C([O-])c1c(F)cc(-c2ccc(C3CC3)nc2)cc1F ZINC001239361783 1131321717 /nfs/dbraw/zinc/32/17/17/1131321717.db2.gz BSBFPQAIUIMRSA-UHFFFAOYSA-N -1 0 275.254 3.602 20 0 CHADRM CCOc1ccc(F)cc1-c1cc(F)c(C(=O)[O-])c(F)c1 ZINC001239363893 1131321818 /nfs/dbraw/zinc/32/18/18/1131321818.db2.gz ZBUZNNUHNXYXKY-UHFFFAOYSA-N -1 0 296.244 3.868 20 0 CHADRM O=C(CCC1CCC1)Nc1ccc(Br)cc1O ZINC000530910154 1125187168 /nfs/dbraw/zinc/18/71/68/1125187168.db2.gz TVELRZMSOQKPTE-UHFFFAOYSA-N -1 0 298.180 3.674 20 0 CHADRM O=C(Nc1cccc(Cl)c1[O-])[C@H]1CC12CCCCC2 ZINC000532183985 1125237347 /nfs/dbraw/zinc/23/73/47/1125237347.db2.gz NKTDOWNVPAOGGT-SNVBAGLBSA-N -1 0 279.767 3.955 20 0 CHADRM C[C@@H]1c2cccn2CCN1Cc1c([O-])ccc(Cl)c1F ZINC000191169551 1125329739 /nfs/dbraw/zinc/32/97/39/1125329739.db2.gz DUUJCWUMKHGVMX-SNVBAGLBSA-N -1 0 294.757 3.563 20 0 CHADRM CC(C)(C)CC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000170274970 1125341264 /nfs/dbraw/zinc/34/12/64/1125341264.db2.gz GVEQODROCCELQL-UHFFFAOYSA-N -1 0 259.708 3.559 20 0 CHADRM CCN(C(=O)c1c([O-])cccc1F)c1ccccc1C ZINC000228866736 1125393383 /nfs/dbraw/zinc/39/33/83/1125393383.db2.gz UHVDERLULUGGPH-UHFFFAOYSA-N -1 0 273.307 3.506 20 0 CHADRM Cc1cc(C(=O)[O-])cc(-c2cnccc2C(F)(F)F)c1 ZINC000225397082 1125420259 /nfs/dbraw/zinc/42/02/59/1125420259.db2.gz PNIQVIXHSCTLPP-UHFFFAOYSA-N -1 0 281.233 3.774 20 0 CHADRM C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1ccc(Cl)s1 ZINC000228307778 1125429910 /nfs/dbraw/zinc/42/99/10/1125429910.db2.gz XTYRUYPHEJMHSQ-SSDOTTSWSA-N -1 0 299.754 3.737 20 0 CHADRM CCCNC(=O)Nc1cc(C(F)(F)F)ccc1[S-] ZINC001202591562 1125439466 /nfs/dbraw/zinc/43/94/66/1125439466.db2.gz FRJAKJLXISSLDS-UHFFFAOYSA-N -1 0 278.299 3.526 20 0 CHADRM COc1ncc(-c2ccc3sc(=S)[n-]c3c2)cc1F ZINC001239513099 1131355944 /nfs/dbraw/zinc/35/59/44/1131355944.db2.gz UVVZCDNUCZBKBQ-UHFFFAOYSA-N -1 0 292.360 3.795 20 0 CHADRM CCC1(CC)CCCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000622549470 1129266040 /nfs/dbraw/zinc/26/60/40/1129266040.db2.gz BMNIRYIFTRGFJS-UHFFFAOYSA-N -1 0 293.382 3.964 20 0 CHADRM O=S(=O)([O-])c1cccc(-c2cccc(C(F)F)c2)c1 ZINC001240690408 1129316748 /nfs/dbraw/zinc/31/67/48/1129316748.db2.gz LAFINAKLEORWON-UHFFFAOYSA-N -1 0 284.283 3.538 20 0 CHADRM CO[C@@H]1CC=C(Nc2cccc(O)c2Br)CC1 ZINC001212884469 1129355095 /nfs/dbraw/zinc/35/50/95/1129355095.db2.gz FFVBBXLUWASMAE-SNVBAGLBSA-N -1 0 298.180 3.649 20 0 CHADRM CC(C)CC[C@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000735842595 1129359192 /nfs/dbraw/zinc/35/91/92/1129359192.db2.gz BWNHSWRJDNWHFT-JTQLQIEISA-N -1 0 292.404 3.671 20 0 CHADRM CSc1cc(F)cc(-c2ccc(C(=O)[O-])s2)c1 ZINC001240847425 1129376589 /nfs/dbraw/zinc/37/65/89/1129376589.db2.gz IUHSSKSLLCMWFI-UHFFFAOYSA-N -1 0 268.334 3.974 20 0 CHADRM CSc1cc(F)cc(-c2ccc(CC(=O)[O-])cc2)c1 ZINC001240975949 1129388385 /nfs/dbraw/zinc/38/83/85/1129388385.db2.gz LLPUNPKNQGQLIH-UHFFFAOYSA-N -1 0 276.332 3.842 20 0 CHADRM Cc1ccc(C(=O)[O-])cc1-c1cccc2[nH]ccc21 ZINC001241001386 1129399669 /nfs/dbraw/zinc/39/96/69/1129399669.db2.gz ZKGXYAFHXPYRPW-UHFFFAOYSA-N -1 0 251.285 3.842 20 0 CHADRM FC(F)c1n[n-]c(=N[C@H](C2CCC2)C2CCCC2)s1 ZINC000645333943 1129495452 /nfs/dbraw/zinc/49/54/52/1129495452.db2.gz MWKBWDICKLMTJH-JTQLQIEISA-N -1 0 287.379 3.668 20 0 CHADRM CCOc1c(F)cc(-c2ccc(F)c(C(=O)[O-])c2)cc1F ZINC001241247684 1129498988 /nfs/dbraw/zinc/49/89/88/1129498988.db2.gz WQVDANFCWLDDSI-UHFFFAOYSA-N -1 0 296.244 3.868 20 0 CHADRM CCCCC[C@@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000303697411 1129553735 /nfs/dbraw/zinc/55/37/35/1129553735.db2.gz NLKYQUZBJVEJFI-SNVBAGLBSA-N -1 0 292.404 3.815 20 0 CHADRM CC(=O)c1c[nH]c2ccc(-c3ccccc3C(=O)[O-])cc12 ZINC000649381506 1129642893 /nfs/dbraw/zinc/64/28/93/1129642893.db2.gz CYMQQBRXBKTDAE-UHFFFAOYSA-N -1 0 279.295 3.736 20 0 CHADRM COc1c(Cl)ccc([N-]c2nnc(C(C)C)o2)c1F ZINC001212582679 1129684002 /nfs/dbraw/zinc/68/40/02/1129684002.db2.gz UORXXWJBSCRGQQ-UHFFFAOYSA-N -1 0 285.706 3.738 20 0 CHADRM Cc1ccc(NCc2cc(=O)[n-]o2)cc1-c1ccccc1 ZINC001169491515 1129732413 /nfs/dbraw/zinc/73/24/13/1129732413.db2.gz UKZAZKGMXZDFEN-UHFFFAOYSA-N -1 0 280.327 3.968 20 0 CHADRM Cc1cc(NC(=O)CC2(C(=O)[O-])CCCC2)ccc1Cl ZINC000653473830 1129780231 /nfs/dbraw/zinc/78/02/31/1129780231.db2.gz OYKVRYCKYIXPCD-UHFFFAOYSA-N -1 0 295.766 3.622 20 0 CHADRM O=C([O-])c1ccc(-c2cc(C(F)(F)F)ccc2F)cn1 ZINC001242335905 1129781396 /nfs/dbraw/zinc/78/13/96/1129781396.db2.gz RYRAPSRSQHEASB-UHFFFAOYSA-N -1 0 285.196 3.605 20 0 CHADRM CSc1nc2ccccc2c(-c2cccc(F)c2[O-])n1 ZINC001242349860 1129790517 /nfs/dbraw/zinc/79/05/17/1129790517.db2.gz WCMDWAREIUZKFL-UHFFFAOYSA-N -1 0 286.331 3.863 20 0 CHADRM CC[C@H](Cc1ccccc1-c1cc(F)ncc1C)C(=O)[O-] ZINC000901027163 1129907226 /nfs/dbraw/zinc/90/72/26/1129907226.db2.gz BOCPZIXFPWXRFX-GFCCVEGCSA-N -1 0 287.334 3.849 20 0 CHADRM CC[C@@H](Cc1ccccc1-c1cc(F)ncc1C)C(=O)[O-] ZINC000901027165 1129907351 /nfs/dbraw/zinc/90/73/51/1129907351.db2.gz BOCPZIXFPWXRFX-LBPRGKRZSA-N -1 0 287.334 3.849 20 0 CHADRM Cc1ccncc1-c1ccc(C(=O)[O-])cc1OC(C)C ZINC000901062190 1129908736 /nfs/dbraw/zinc/90/87/36/1129908736.db2.gz DPBDXZKCFIAJPD-UHFFFAOYSA-N -1 0 271.316 3.542 20 0 CHADRM C[C@@H](CC(=O)[O-])n1cc(-c2cscc2C(F)F)cn1 ZINC000901076449 1129909141 /nfs/dbraw/zinc/90/91/41/1129909141.db2.gz NAHPNQMXTBPOPU-ZETCQYMHSA-N -1 0 286.303 3.585 20 0 CHADRM O=Cc1cc(-c2ccc(C3(C(=O)[O-])CCC3)cc2)cs1 ZINC000901078195 1129909215 /nfs/dbraw/zinc/90/92/15/1129909215.db2.gz GADZQUJEKNOHKY-UHFFFAOYSA-N -1 0 286.352 3.734 20 0 CHADRM C[C@H](Cc1ccc(-c2cnn(C(C)(C)C)c2)cc1)C(=O)[O-] ZINC000901070606 1129909219 /nfs/dbraw/zinc/90/92/19/1129909219.db2.gz RYFFDAXNWFRVGL-GFCCVEGCSA-N -1 0 286.375 3.568 20 0 CHADRM CC(C)(C)n1cc(-c2ccc(CCCC(=O)[O-])s2)cn1 ZINC000901070041 1129909224 /nfs/dbraw/zinc/90/92/24/1129909224.db2.gz JYXFJPFINFWCGH-UHFFFAOYSA-N -1 0 292.404 3.774 20 0 CHADRM CC(C)(C)n1cc(-c2cccc(C(C)(C)C(=O)[O-])c2)cn1 ZINC000901070314 1129909363 /nfs/dbraw/zinc/90/93/63/1129909363.db2.gz NBQXAUNVHUUAOO-UHFFFAOYSA-N -1 0 286.375 3.667 20 0 CHADRM Cc1cc(-c2ccccc2CCCC(=O)[O-])sn1 ZINC000901102763 1129909680 /nfs/dbraw/zinc/90/96/80/1129909680.db2.gz XNJSLPAYPOUTNN-UHFFFAOYSA-N -1 0 261.346 3.526 20 0 CHADRM Cc1ccc(-c2cncc([C@@H]3OCC[C@H]3C(=O)[O-])c2)c(C)c1 ZINC000901102301 1129909882 /nfs/dbraw/zinc/90/98/82/1129909882.db2.gz RVAOVFITFBSHMH-SJORKVTESA-N -1 0 297.354 3.528 20 0 CHADRM CCCCCC[C@H](C)CC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000769529962 1129915962 /nfs/dbraw/zinc/91/59/62/1129915962.db2.gz CLJBQCQWRLNOIV-GJZGRUSLSA-N -1 0 297.439 3.696 20 0 CHADRM CCCCC[C@@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000769687027 1129920508 /nfs/dbraw/zinc/92/05/08/1129920508.db2.gz AEPOYURQYFJHQU-SECBINFHSA-N -1 0 287.762 3.883 20 0 CHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1c(O)cccc1Cl ZINC000769668718 1129920892 /nfs/dbraw/zinc/92/08/92/1129920892.db2.gz SSMMNZNIBFIDET-JQWIXIFHSA-N -1 0 281.783 3.696 20 0 CHADRM O=C([O-])COc1ccc(NC2CC(c3ccccc3)C2)cc1 ZINC000901719883 1129946096 /nfs/dbraw/zinc/94/60/96/1129946096.db2.gz MUBVGRHJKFIPBB-UHFFFAOYSA-N -1 0 297.354 3.508 20 0 CHADRM CCc1oc(CNc2ccc(F)c(C)c2)cc1C(=O)[O-] ZINC000902097476 1129979722 /nfs/dbraw/zinc/97/97/22/1129979722.db2.gz MIZRRAYEHSBWOX-UHFFFAOYSA-N -1 0 277.295 3.600 20 0 CHADRM CC/C(C)=C(\C)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000771505534 1129982864 /nfs/dbraw/zinc/98/28/64/1129982864.db2.gz PSCDJICIQAFZNR-BQYQJAHWSA-N -1 0 271.719 3.870 20 0 CHADRM C[C@@H](CC(=O)Nc1cc(F)cc(Cl)c1[O-])C1CC1 ZINC000771506393 1129983090 /nfs/dbraw/zinc/98/30/90/1129983090.db2.gz UCYSKBWABZJBME-ZETCQYMHSA-N -1 0 271.719 3.559 20 0 CHADRM CO[C@@H](C)c1cccc(NCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000902215832 1129990168 /nfs/dbraw/zinc/99/01/68/1129990168.db2.gz YRECOZWWEIZXOH-NSHDSACASA-N -1 0 289.331 3.606 20 0 CHADRM COc1cc(OC)c(-c2cc(F)ccc2[S-])c(OC)c1 ZINC001239648830 1130031789 /nfs/dbraw/zinc/03/17/89/1130031789.db2.gz PEVXJIABOVJWSI-UHFFFAOYSA-N -1 0 294.347 3.807 20 0 CHADRM CC(C)(C)OCCCC(=O)Nc1cccc(Cl)c1[O-] ZINC000802890586 1130058602 /nfs/dbraw/zinc/05/86/02/1130058602.db2.gz CSFVLWAFRAILRM-UHFFFAOYSA-N -1 0 285.771 3.579 20 0 CHADRM COC(=O)c1ccc(-c2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001242852377 1130090294 /nfs/dbraw/zinc/09/02/94/1130090294.db2.gz HUMAZCGUFQNPPH-UHFFFAOYSA-N -1 0 298.125 3.548 20 0 CHADRM [O-]c1c(Cl)cc(-c2c[nH]cc3ncnc2-3)cc1Cl ZINC001242853864 1130093644 /nfs/dbraw/zinc/09/36/44/1130093644.db2.gz WNLMQTYCMKMFNZ-UHFFFAOYSA-N -1 0 280.114 3.637 20 0 CHADRM Cc1nc2c(c(-c3cccc([S-])c3)n1)CCCC2 ZINC001242866295 1130109872 /nfs/dbraw/zinc/10/98/72/1130109872.db2.gz SAWCCAYZXSUTAZ-UHFFFAOYSA-N -1 0 256.374 3.620 20 0 CHADRM COC(=O)c1nc2ccc(-c3cccc([S-])c3)cc2o1 ZINC001242867145 1130111513 /nfs/dbraw/zinc/11/15/13/1130111513.db2.gz HZRWTFQUWLJVPX-UHFFFAOYSA-N -1 0 285.324 3.570 20 0 CHADRM CCOC(=O)c1cc(-c2cccc([S-])c2)ccc1F ZINC001242868384 1130112148 /nfs/dbraw/zinc/11/21/48/1130112148.db2.gz QYUPMVYDQCLBQH-UHFFFAOYSA-N -1 0 276.332 3.958 20 0 CHADRM COc1cncc(-c2ccc3sc(=S)[n-]c3c2)c1 ZINC001239929172 1130155549 /nfs/dbraw/zinc/15/55/49/1130155549.db2.gz IKESIKITCNJTBM-UHFFFAOYSA-N -1 0 274.370 3.656 20 0 CHADRM COc1ccc(F)c(-c2cc(F)ccc2[S-])c1 ZINC001240119780 1130216548 /nfs/dbraw/zinc/21/65/48/1130216548.db2.gz UUBFHMIDIDICCV-UHFFFAOYSA-N -1 0 252.285 3.929 20 0 CHADRM CCCn1cc(-c2ccc3[n-]c(=S)sc3c2)cn1 ZINC001240134121 1130221010 /nfs/dbraw/zinc/22/10/10/1130221010.db2.gz SFZQLDZMLADIIN-UHFFFAOYSA-N -1 0 275.402 3.859 20 0 CHADRM O=C([O-])/C=C/c1cnc(/C=C\c2ccccc2F)s1 ZINC000748439800 1130232803 /nfs/dbraw/zinc/23/28/03/1130232803.db2.gz CWDLGRCWUYTUCO-CGXWXWIYSA-N -1 0 275.304 3.550 20 0 CHADRM S=c1[n-]c2cc(-c3ccc4nccn4c3)ccc2s1 ZINC001240219520 1130237336 /nfs/dbraw/zinc/23/73/36/1130237336.db2.gz LPNHOFFOJDFLCB-UHFFFAOYSA-N -1 0 283.381 3.900 20 0 CHADRM C/C=C(\CC)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000789836384 1130278863 /nfs/dbraw/zinc/27/88/63/1130278863.db2.gz UHTMMVDTJGGWNG-XVNBXDOJSA-N -1 0 274.147 3.994 20 0 CHADRM Cc1cc(CNc2cc(C(=O)[O-])ccc2C)c(C)o1 ZINC000789897670 1130282016 /nfs/dbraw/zinc/28/20/16/1130282016.db2.gz NJWAQWNQSPAGPN-UHFFFAOYSA-N -1 0 259.305 3.515 20 0 CHADRM CC(C)(O)c1cccc(-c2ccccc2/C=C/C(=O)[O-])c1 ZINC001240407429 1130294044 /nfs/dbraw/zinc/29/40/44/1130294044.db2.gz DGQYINDEXUGHLD-ZHACJKMWSA-N -1 0 282.339 3.679 20 0 CHADRM CC(C)CCn1cc(-c2ccccc2/C=C/C(=O)[O-])cn1 ZINC001240420424 1130301087 /nfs/dbraw/zinc/30/10/87/1130301087.db2.gz SROGINMMKORLIC-BQYQJAHWSA-N -1 0 284.359 3.694 20 0 CHADRM Cc1nn(C)c2ccc(-c3cccc([S-])c3)cc12 ZINC001240457294 1130317432 /nfs/dbraw/zinc/31/74/32/1130317432.db2.gz UCZPZMRZZMOOSP-UHFFFAOYSA-N -1 0 254.358 3.837 20 0 CHADRM Cc1cc(-c2ccc(OC(F)(F)F)nc2)ccc1C(=O)[O-] ZINC001243215514 1130322023 /nfs/dbraw/zinc/32/20/23/1130322023.db2.gz SUDCZVIEDXNWHF-UHFFFAOYSA-N -1 0 297.232 3.654 20 0 CHADRM CCc1cc(OC)ccc1-c1ccc(C(=O)[O-])c(C)c1 ZINC001243214555 1130322042 /nfs/dbraw/zinc/32/20/42/1130322042.db2.gz RUUSTIBSOYJCGP-UHFFFAOYSA-N -1 0 270.328 3.931 20 0 CHADRM Cc1c(F)c(F)ccc1-c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001206038642 1130324256 /nfs/dbraw/zinc/32/42/56/1130324256.db2.gz KLYZXYUZQYJHNQ-UHFFFAOYSA-N -1 0 284.208 3.917 20 0 CHADRM O=C([O-])/C=C/c1cccc(-c2cnc3ccc(F)cc3n2)c1 ZINC001240546470 1130350084 /nfs/dbraw/zinc/35/00/84/1130350084.db2.gz JCMMZEXWSKDGTL-QPJJXVBHSA-N -1 0 294.285 3.534 20 0 CHADRM O=C([O-])/C=C/c1cccc(-c2ncnc3cccc(F)c32)c1 ZINC001240545406 1130350314 /nfs/dbraw/zinc/35/03/14/1130350314.db2.gz APGAYJBBLPNSGY-BQYQJAHWSA-N -1 0 294.285 3.534 20 0 CHADRM COC(=O)c1c(C)cccc1-c1cccc(/C=C/C(=O)[O-])c1 ZINC001240548094 1130351046 /nfs/dbraw/zinc/35/10/46/1130351046.db2.gz GTGTXTDJNIAAPB-MDZDMXLPSA-N -1 0 296.322 3.546 20 0 CHADRM Cc1nc2cc(-c3cccc(C=CC(=O)[O-])c3)ccc2[nH]1 ZINC001240548781 1130351070 /nfs/dbraw/zinc/35/10/70/1130351070.db2.gz RKSRAIYTHWWWSZ-VMPITWQZSA-N -1 0 278.311 3.636 20 0 CHADRM CN(C)c1cc(F)cc(-c2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001240548087 1130351863 /nfs/dbraw/zinc/35/18/63/1130351863.db2.gz GRSGWWAAIYYSAQ-VOTSOKGWSA-N -1 0 285.318 3.657 20 0 CHADRM O=C([O-])/C=C/c1cccc(-c2cc(F)ncc2C2CC2)c1 ZINC001240548385 1130351875 /nfs/dbraw/zinc/35/18/75/1130351875.db2.gz MCXKTYWBSDAVPZ-QPJJXVBHSA-N -1 0 283.302 3.863 20 0 CHADRM COc1c(F)cc(-c2cccc(/C=C/C(=O)[O-])c2)cc1F ZINC001240549450 1130352173 /nfs/dbraw/zinc/35/21/73/1130352173.db2.gz JJVQHTXJHWVCKV-AATRIKPKSA-N -1 0 290.265 3.738 20 0 CHADRM CCOc1ncc(-c2cccc(/C=C/C(=O)[O-])c2)cc1C ZINC001240549906 1130352596 /nfs/dbraw/zinc/35/25/96/1130352596.db2.gz 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ZINC001595631680 981842732 /nfs/dbraw/zinc/84/27/32/981842732.db2.gz YRTDTVYIJJZWDR-LLVKDONJSA-N -1 0 296.388 3.595 20 0 CHADRM CCCC[C@H](Nc1ccc(OC(C)C)c(OC)c1)C(=O)[O-] ZINC001595646926 982003375 /nfs/dbraw/zinc/00/33/75/982003375.db2.gz WDKLBASIKRJRAD-ZDUSSCGKSA-N -1 0 295.379 3.538 20 0 CHADRM CCCC[C@@H](SCCc1ccc(OC)cc1)C(=O)[O-] ZINC001595655010 982042776 /nfs/dbraw/zinc/04/27/76/982042776.db2.gz HBFPEFQXGGOQNH-CQSZACIVSA-N -1 0 282.405 3.614 20 0 CHADRM CCCC[C@H](SCCO[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC001595655879 982048686 /nfs/dbraw/zinc/04/86/86/982048686.db2.gz QDAXNPITIHELOQ-MCIONIFRSA-N -1 0 288.453 3.958 20 0 CHADRM CCCC[C@H](SCc1nc2cc(F)ccc2o1)C(=O)[O-] ZINC001595656783 982056073 /nfs/dbraw/zinc/05/60/73/982056073.db2.gz AXYNEQFXRLYFOG-LBPRGKRZSA-N -1 0 297.351 3.844 20 0 CHADRM CCCC[C@H](SCc1ncc(C)c(OC)c1C)C(=O)[O-] ZINC001595657161 982060179 /nfs/dbraw/zinc/06/01/79/982060179.db2.gz JLCYTUTWUBEEIN-ZDUSSCGKSA-N -1 0 297.420 3.584 20 0 CHADRM CCCC[C@H](Sc1cc(C)nc(C2CCC2)n1)C(=O)[O-] ZINC001595657713 982065684 /nfs/dbraw/zinc/06/56/84/982065684.db2.gz QTOUJVNOBWDPMT-LBPRGKRZSA-N -1 0 294.420 3.788 20 0 CHADRM CCCCC[C@H](C(=O)NCC1(C(=O)[O-])CCCC1)C(C)C ZINC001595662492 982079832 /nfs/dbraw/zinc/07/98/32/982079832.db2.gz GEIZVURIILCCQM-AWEZNQCLSA-N -1 0 297.439 3.600 20 0 CHADRM CCCCC[C@@H](C(=O)N1CCC[C@@](C)(C(=O)[O-])C1)C(C)C ZINC001595663229 982083020 /nfs/dbraw/zinc/08/30/20/982083020.db2.gz RRCJSWKEHGBLQD-RHSMWYFYSA-N -1 0 297.439 3.552 20 0 CHADRM CCCCCC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595663407 982083984 /nfs/dbraw/zinc/08/39/84/982083984.db2.gz VXDIGQRYNQANOE-UHFFFAOYSA-N -1 0 270.712 3.524 20 0 CHADRM CCCCC[C@H](C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001595666668 982104849 /nfs/dbraw/zinc/10/48/49/982104849.db2.gz QCFBZXXXHNIUJC-LBPRGKRZSA-N -1 0 277.364 3.930 20 0 CHADRM CCCCC[C@H](NC(=O)CCC1CCCCCC1)C(=O)[O-] ZINC001595671681 982124616 /nfs/dbraw/zinc/12/46/16/982124616.db2.gz ALCSMUPHDWVDHG-HNNXBMFYSA-N -1 0 297.439 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SBIGRBUJGMJYKP-UHFFFAOYSA-N -1 0 280.686 3.503 20 0 CHADRM O=C([O-])c1ccc(Nc2ccc3c(c2)CCCC3=O)cc1 ZINC001176714287 1121690542 /nfs/dbraw/zinc/69/05/42/1121690542.db2.gz AMLBCEHHUALZOD-UHFFFAOYSA-N -1 0 281.311 3.647 20 0 CHADRM O=C([O-])c1ccc(Nc2cc(C(F)(F)F)ccc2O)cc1 ZINC001176712526 1121690564 /nfs/dbraw/zinc/69/05/64/1121690564.db2.gz FNAKOHGTBVMMQL-UHFFFAOYSA-N -1 0 297.232 3.853 20 0 CHADRM CO[C@@H]1CCOc2c(Nc3ccc(C(=O)[O-])cc3)cccc21 ZINC001176713278 1121690613 /nfs/dbraw/zinc/69/06/13/1121690613.db2.gz AVPWWCRUCCGBIM-OAHLLOKOSA-N -1 0 299.326 3.598 20 0 CHADRM Cc1cc(OCC(C)C)ncc1-c1csc(C(=O)[O-])c1 ZINC001206302774 1121728472 /nfs/dbraw/zinc/72/84/72/1121728472.db2.gz ACIDPHQMYWDVBC-UHFFFAOYSA-N -1 0 291.372 3.852 20 0 CHADRM COCc1ccc(-c2csc(C(=O)[O-])c2)c(C)c1 ZINC001206302857 1121729124 /nfs/dbraw/zinc/72/91/24/1121729124.db2.gz DHZUJYOOZYYQSI-UHFFFAOYSA-N -1 0 262.330 3.568 20 0 CHADRM O=C(Nc1ccccc1[S-])c1cc2cccc(F)c2[nH]1 ZINC001150759075 1121766500 /nfs/dbraw/zinc/76/65/00/1121766500.db2.gz LJWHPULXZCVTNC-UHFFFAOYSA-N -1 0 286.331 3.848 20 0 CHADRM Cc1ccc(Cc2cc(C)c(C(=O)[O-])c(C)c2)cc1 ZINC001249875652 1121797311 /nfs/dbraw/zinc/79/73/11/1121797311.db2.gz AAVVWBCPGOGKSN-UHFFFAOYSA-N -1 0 254.329 3.901 20 0 CHADRM CCC[C@H](Oc1ccc(S(=O)(=O)[O-])cc1)[C@H](C)CC ZINC001225515185 1121801558 /nfs/dbraw/zinc/80/15/58/1121801558.db2.gz REXLVIOYPRSZSR-RISCZKNCSA-N -1 0 286.393 3.527 20 0 CHADRM CCc1ccc([N-]S(=O)(=O)c2cc(C)oc2C)cc1C ZINC000345101851 1121841334 /nfs/dbraw/zinc/84/13/34/1121841334.db2.gz KMJXTOQLDNKNAR-UHFFFAOYSA-N -1 0 293.388 3.568 20 0 CHADRM O=C(Nc1cccc(Cl)c1[O-])C12CCC(CC1)C2 ZINC000345147443 1121853180 /nfs/dbraw/zinc/85/31/80/1121853180.db2.gz BRDVFXQBDXPXKN-UHFFFAOYSA-N -1 0 265.740 3.564 20 0 CHADRM CCCCOC[C@H](C)OC[C@@H](C)Oc1ccccc1[S-] ZINC001225588670 1121956094 /nfs/dbraw/zinc/95/60/94/1121956094.db2.gz VRMZXVSFVNHEBP-UONOGXRCSA-N -1 0 298.448 3.964 20 0 CHADRM O=C(c1cccc(F)c1[O-])N1CCC[C@@H](C2CCCC2)C1 ZINC001181064109 1122032149 /nfs/dbraw/zinc/03/21/49/1122032149.db2.gz UCAOIENNPJFSCA-CYBMUJFWSA-N -1 0 291.366 3.574 20 0 CHADRM O=C(Nc1cccc(-c2cccs2)c1)c1ccc([O-])nn1 ZINC001181738153 1122074781 /nfs/dbraw/zinc/07/47/81/1122074781.db2.gz ZBLUYGNVYUXHIB-UHFFFAOYSA-N -1 0 297.339 3.620 20 0 CHADRM CCCCCC[C@@H](C)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000774052061 1122121973 /nfs/dbraw/zinc/12/19/73/1122121973.db2.gz GUNLEEWVNOZBQQ-LLVKDONJSA-N -1 0 295.354 3.613 20 0 CHADRM Cc1sc(/C=C/c2cccc(C(=O)[O-])c2)cc1C=O ZINC000774134912 1122132515 /nfs/dbraw/zinc/13/25/15/1122132515.db2.gz HIWAKSYEDOFNHP-AATRIKPKSA-N -1 0 272.325 3.738 20 0 CHADRM Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCC2)c(O)c1 ZINC000620092153 1129034093 /nfs/dbraw/zinc/03/40/93/1129034093.db2.gz BTAKICZNOFFLGV-UHFFFAOYSA-N -1 0 299.345 3.649 20 0 CHADRM Cc1cc(Cc2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC001250089411 1122188815 /nfs/dbraw/zinc/18/88/15/1122188815.db2.gz YIWMCNYALTXQJW-UHFFFAOYSA-N -1 0 262.255 3.562 20 0 CHADRM C[C@@H]1C[C@@H](NC(=O)Cc2ccc([S-])cc2)c2ccccc21 ZINC001183189619 1122209630 /nfs/dbraw/zinc/20/96/30/1122209630.db2.gz LLNFJVKTLQLOAZ-SJKOYZFVSA-N -1 0 297.423 3.883 20 0 CHADRM CC[C@@H]1C[C@@H](CC(=O)Nc2cccc(Cl)c2[O-])CCO1 ZINC000272827205 1122213595 /nfs/dbraw/zinc/21/35/95/1122213595.db2.gz NYOVWLNALQJPSE-WDEREUQCSA-N -1 0 297.782 3.579 20 0 CHADRM Cc1c(Cl)cccc1NC(=O)Nc1ncc(F)cc1[O-] ZINC001184656929 1122292573 /nfs/dbraw/zinc/29/25/73/1122292573.db2.gz KGIHZTZVIMYAFY-UHFFFAOYSA-N -1 0 295.701 3.532 20 0 CHADRM CC[C@H](C)c1ccccc1OCC(=O)[N-]OC1CCCC1 ZINC000774865368 1122336254 /nfs/dbraw/zinc/33/62/54/1122336254.db2.gz GXFPNMPTQSLPRY-ZDUSSCGKSA-N -1 0 291.391 3.569 20 0 CHADRM C[C@H]1CCC[C@H](C)N1C(=O)C=C([O-])c1ccccc1Cl ZINC001185427357 1122339700 /nfs/dbraw/zinc/33/97/00/1122339700.db2.gz PFYBLHKWYYZAFV-RYUDHWBXSA-N -1 0 293.794 3.702 20 0 CHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1CCC[C@H](F)C1 ZINC000424777458 1122344980 /nfs/dbraw/zinc/34/49/80/1122344980.db2.gz JYJTWZBVUISJEC-YUMQZZPRSA-N -1 0 289.709 3.652 20 0 CHADRM Cc1nc(Cc2ccc(C(=O)[O-])c(C)c2Cl)cs1 ZINC001250197998 1122350346 /nfs/dbraw/zinc/35/03/46/1122350346.db2.gz FUUFDAPMEFVFTH-UHFFFAOYSA-N -1 0 281.764 3.702 20 0 CHADRM O=C(Nc1ccc(C(F)F)cn1)c1cccc([S-])c1 ZINC001186130328 1122375754 /nfs/dbraw/zinc/37/57/54/1122375754.db2.gz NZGSLMMHOAIUMN-UHFFFAOYSA-N -1 0 280.299 3.560 20 0 CHADRM O=C(Nc1ccccc1-c1cc[nH]n1)c1cccc([S-])c1 ZINC001186153088 1122377465 /nfs/dbraw/zinc/37/74/65/1122377465.db2.gz TYSXKAFVDOQYGL-UHFFFAOYSA-N -1 0 295.367 3.618 20 0 CHADRM O=C(NCc1cccc(C(F)F)c1)c1cccc([S-])c1 ZINC001186156284 1122378242 /nfs/dbraw/zinc/37/82/42/1122378242.db2.gz MDPGUDWKQZPSRI-UHFFFAOYSA-N -1 0 293.338 3.843 20 0 CHADRM Cc1c(Cl)cc(NC(=O)NCC2CC2)c([O-])c1Cl ZINC001186614172 1122400059 /nfs/dbraw/zinc/40/00/59/1122400059.db2.gz CBBPERCEHHCOSC-UHFFFAOYSA-N -1 0 289.162 3.539 20 0 CHADRM CCOCc1ccc(C(=O)Nc2ccccc2[S-])cc1 ZINC001187098178 1122421061 /nfs/dbraw/zinc/42/10/61/1122421061.db2.gz NEGKUXXMVLWFCR-UHFFFAOYSA-N -1 0 287.384 3.764 20 0 CHADRM CC[C@H]1CCC[C@@H](Nc2cccc(CC(=O)[O-])c2)C1 ZINC000515044981 1122472793 /nfs/dbraw/zinc/47/27/93/1122472793.db2.gz KRTVRKALWPDDDR-GXTWGEPZSA-N -1 0 261.365 3.694 20 0 CHADRM O=C(Nc1ccccc1[S-])c1cccc(-c2cnco2)c1 ZINC001188957464 1122481771 /nfs/dbraw/zinc/48/17/71/1122481771.db2.gz XSNDXBLKHDWKJN-UHFFFAOYSA-N -1 0 296.351 3.883 20 0 CHADRM [CH2]CCNC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC001189134565 1122489910 /nfs/dbraw/zinc/48/99/10/1122489910.db2.gz OCJFFVYZPHYDJS-UHFFFAOYSA-N -1 0 279.669 3.704 20 0 CHADRM CCC(CC)(C(=O)[N-]OC1CCCC1)c1ccccc1 ZINC000775275880 1122507733 /nfs/dbraw/zinc/50/77/33/1122507733.db2.gz MUVPGWVCIZKGMR-UHFFFAOYSA-N -1 0 275.392 3.735 20 0 CHADRM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436525963 1122556973 /nfs/dbraw/zinc/55/69/73/1122556973.db2.gz PRDZJWSASJPSIS-TVQRCGJNSA-N -1 0 297.345 3.615 20 0 CHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436525959 1122557570 /nfs/dbraw/zinc/55/75/70/1122557570.db2.gz PRDZJWSASJPSIS-NOZJJQNGSA-N -1 0 297.345 3.615 20 0 CHADRM C[C@H]1CCCC[C@H]1CCNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436528631 1122557983 /nfs/dbraw/zinc/55/79/83/1122557983.db2.gz XTTVAGSOKYLDLG-QWRGUYRKSA-N -1 0 297.345 3.617 20 0 CHADRM Cc1cccc(C(=O)Nc2nc(-c3ccccc3)co2)c1O ZINC000436540704 1122560364 /nfs/dbraw/zinc/56/03/64/1122560364.db2.gz ZSAQRTQPIQQDJN-UHFFFAOYSA-N -1 0 294.310 3.608 20 0 CHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C)cc1O ZINC000436541304 1122560565 /nfs/dbraw/zinc/56/05/65/1122560565.db2.gz ZKTYMISNKGISPB-ZFWWWQNUSA-N -1 0 275.392 3.741 20 0 CHADRM Cc1cccc(CNC(=O)Nc2ccc([S-])cc2)c1 ZINC001190997928 1122566376 /nfs/dbraw/zinc/56/63/76/1122566376.db2.gz DQBQPHFEDWYLHS-UHFFFAOYSA-N -1 0 272.373 3.605 20 0 CHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2ccccc2)c1 ZINC000436643485 1122569456 /nfs/dbraw/zinc/56/94/56/1122569456.db2.gz FDQNKFKVGNSMIF-LBPRGKRZSA-N -1 0 297.354 3.727 20 0 CHADRM O=C(Nc1ccccc1)c1c([O-])cc(Cl)cc1Cl ZINC000436749915 1122578956 /nfs/dbraw/zinc/57/89/56/1122578956.db2.gz CRSONSMEHYFTLY-UHFFFAOYSA-N -1 0 282.126 3.951 20 0 CHADRM CC(C)c1ccccc1N(C)C(=O)c1ccc(O)cc1F ZINC000436781440 1122581571 /nfs/dbraw/zinc/58/15/71/1122581571.db2.gz CUIOSJZPDDUMLN-UHFFFAOYSA-N -1 0 287.334 3.931 20 0 CHADRM Cc1ccc(C[NH2+][C@@H](CC(=O)[O-])c2ccsc2)c(F)c1 ZINC000630451266 1122584544 /nfs/dbraw/zinc/58/45/44/1122584544.db2.gz XMPUNBKTMCYWNT-AWEZNQCLSA-N -1 0 293.363 3.501 20 0 CHADRM CCc1ccc(C(=O)Nc2ccccc2Cl)c(O)c1 ZINC000436804787 1122584739 /nfs/dbraw/zinc/58/47/39/1122584739.db2.gz VJDZYDOVKXLKGA-UHFFFAOYSA-N -1 0 275.735 3.860 20 0 CHADRM CC1(C)CCC[C@H]1c1nc(-c2ccc(O)cc2F)no1 ZINC000436880449 1122591198 /nfs/dbraw/zinc/59/11/98/1122591198.db2.gz QYUIOZXADMPGTF-NSHDSACASA-N -1 0 276.311 3.875 20 0 CHADRM O=C(Nc1ccccn1)Nc1ccc(Cl)c(Cl)c1[O-] ZINC001191340331 1122591230 /nfs/dbraw/zinc/59/12/30/1122591230.db2.gz DZEVQRKOXVEOOJ-UHFFFAOYSA-N -1 0 298.129 3.738 20 0 CHADRM C[C@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C[C@@H](C)C1 ZINC000436908695 1122593594 /nfs/dbraw/zinc/59/35/94/1122593594.db2.gz WRMYFKIFOKFNKP-JZYVYDRUSA-N -1 0 299.773 3.739 20 0 CHADRM COc1cc(NC(=O)c2cccc(C)c2O)c(C)cc1C ZINC000436925067 1122595750 /nfs/dbraw/zinc/59/57/50/1122595750.db2.gz FEEDTLAMMUSVNJ-UHFFFAOYSA-N -1 0 285.343 3.578 20 0 CHADRM Cc1ccc([C@H]2CCCN2C(=O)c2c([O-])cccc2F)cc1 ZINC000436943968 1122597494 /nfs/dbraw/zinc/59/74/94/1122597494.db2.gz NZCWUTUOFIGNNF-OAHLLOKOSA-N -1 0 299.345 3.817 20 0 CHADRM O=C(c1c([O-])cccc1F)N(CC1CCCCC1)C1CC1 ZINC000436942507 1122598036 /nfs/dbraw/zinc/59/80/36/1122598036.db2.gz ILHFGDGYMOIVPS-UHFFFAOYSA-N -1 0 291.366 3.716 20 0 CHADRM CC(C)c1ccc(C(=O)N2CCCC[C@H](C)C2)c(O)c1 ZINC000436953427 1122599375 /nfs/dbraw/zinc/59/93/75/1122599375.db2.gz PGVTYMROLLMGGT-ZDUSSCGKSA-N -1 0 275.392 3.778 20 0 CHADRM CC(C)(C)c1cnc(NC(=O)c2c([O-])cccc2F)s1 ZINC000436977852 1122600065 /nfs/dbraw/zinc/60/00/65/1122600065.db2.gz FSIJVIDOMTWEOQ-UHFFFAOYSA-N 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282.405 3.614 20 0 CHADRM CCCC[C@@H](SCc1cccc2c1CCOC2)C(=O)[O-] ZINC001595657643 982064757 /nfs/dbraw/zinc/06/47/57/982064757.db2.gz PGEFFIPYOFGZOA-OAHLLOKOSA-N -1 0 294.416 3.636 20 0 CHADRM CCCC[C@H](SCc1ccnc(Cl)c1)C(=O)[O-] ZINC001595657979 982067811 /nfs/dbraw/zinc/06/78/11/982067811.db2.gz XMOZAPXMUCBTNJ-JTQLQIEISA-N -1 0 273.785 3.612 20 0 CHADRM CCCCCC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001595662624 982080208 /nfs/dbraw/zinc/08/02/08/982080208.db2.gz HCNDIQULBDKJPA-UHFFFAOYSA-N -1 0 270.712 3.524 20 0 CHADRM CCCCC[C@H](C(=O)N1CCC[C@](C)(C(=O)[O-])C1)C(C)C ZINC001595663233 982082876 /nfs/dbraw/zinc/08/28/76/982082876.db2.gz RRCJSWKEHGBLQD-YOEHRIQHSA-N -1 0 297.439 3.552 20 0 CHADRM CCCCC[C@H](C)CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001595666031 982095916 /nfs/dbraw/zinc/09/59/16/982095916.db2.gz CURQJGHNXLXADY-ZQIUZPCESA-N -1 0 297.439 3.743 20 0 CHADRM CCCCC[C@@H](C)CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001595666301 982099279 /nfs/dbraw/zinc/09/92/79/982099279.db2.gz 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1131554025 /nfs/dbraw/zinc/55/40/25/1131554025.db2.gz JGWBAYQFUSXUPI-QMTHXVAHSA-N -1 0 297.345 3.759 20 0 CHADRM CCc1cccc(NC(=O)Nc2ncc(Cl)cc2[O-])c1 ZINC001202874338 1131557872 /nfs/dbraw/zinc/55/78/72/1131557872.db2.gz OPLMWKIDDCRTBS-UHFFFAOYSA-N -1 0 291.738 3.647 20 0 CHADRM CCc1cccc(NC(=O)Nc2cc([O-])c(F)c(F)c2)c1 ZINC001202887553 1131573377 /nfs/dbraw/zinc/57/33/77/1131573377.db2.gz WUQWOKYKSOODBP-UHFFFAOYSA-N -1 0 292.285 3.877 20 0 CHADRM C[C@H]1CC[C@H](C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)CC1 ZINC000846114679 1131688174 /nfs/dbraw/zinc/68/81/74/1131688174.db2.gz NXMKKAVGXSZOLZ-RUYBRCANSA-N -1 0 287.359 3.549 20 0 CHADRM O=C([O-])c1ccc(NC(=O)/C=C\C2CCCC2)cc1Cl ZINC000846113522 1131688336 /nfs/dbraw/zinc/68/83/36/1131688336.db2.gz MJJJYUOFOSOATA-YVMONPNESA-N -1 0 293.750 3.723 20 0 CHADRM CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c([O-])c2)CC1 ZINC001146331801 1131787324 /nfs/dbraw/zinc/78/73/24/1131787324.db2.gz GTUXOEVJYWMQQJ-LLVKDONJSA-N -1 0 281.783 3.698 20 0 CHADRM O=C(OC/C(Cl)=C/Cl)c1cc([S-])ccc1F ZINC000798724753 1131841947 /nfs/dbraw/zinc/84/19/47/1131841947.db2.gz VIMQJWIOIOUHBM-XQRVVYSFSA-N -1 0 281.135 3.590 20 0 CHADRM CCc1ccccc1C(=O)Nc1ccccc1[S-] ZINC001148411845 1131855196 /nfs/dbraw/zinc/85/51/96/1131855196.db2.gz TVMNNWZFVVSDHA-UHFFFAOYSA-N -1 0 257.358 3.790 20 0 CHADRM O=C(Nc1ccccc1[S-])c1ccc(-c2ncc[nH]2)cc1 ZINC001148720210 1131869904 /nfs/dbraw/zinc/86/99/04/1131869904.db2.gz YQTRVXDBATZGDN-UHFFFAOYSA-N -1 0 295.367 3.618 20 0 CHADRM CCC[C@H](C)[C@H](Oc1[n-]ncc(=O)c1Cl)C(C)C ZINC001228391115 1131874554 /nfs/dbraw/zinc/87/45/54/1131874554.db2.gz SLBBQAIGNPDNNH-JOYOIKCWSA-N -1 0 272.776 3.675 20 0 CHADRM O=c1cn[n-]c(O[C@@H]2CCc3ccc(Cl)cc32)c1Cl ZINC001228390301 1131874921 /nfs/dbraw/zinc/87/49/21/1131874921.db2.gz JRIJTSDKKYISHO-LLVKDONJSA-N -1 0 297.141 3.555 20 0 CHADRM C[C@@H](Oc1[n-]c(=O)ncc1Cl)c1csc(Cl)c1 ZINC001228479246 1131891858 /nfs/dbraw/zinc/89/18/58/1131891858.db2.gz CAUSUQAXIUHYQD-RXMQYKEDSA-N -1 0 291.159 3.691 20 0 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1132679050 /nfs/dbraw/zinc/67/90/50/1132679050.db2.gz YQDKJXGTBLURPY-CZUORRHYSA-N -1 0 297.374 3.747 20 0 CHADRM CC[C@H]1CCCC[C@H]1Oc1cc([O-])cc2occc(=O)c12 ZINC001233827895 1132686600 /nfs/dbraw/zinc/68/66/00/1132686600.db2.gz VFVWXYFKWVWAMS-SMDDNHRTSA-N -1 0 288.343 3.846 20 0 CHADRM Cc1ccc(Nc2cccc(S(=O)(=O)[O-])c2)c(Cl)c1 ZINC001174046274 1132708092 /nfs/dbraw/zinc/70/80/92/1132708092.db2.gz TUUCSKINYGJNAQ-UHFFFAOYSA-N -1 0 297.763 3.639 20 0 CHADRM CC(C)c1ccccc1Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001174047108 1132709415 /nfs/dbraw/zinc/70/94/15/1132709415.db2.gz POGYHKNSSIYICH-UHFFFAOYSA-N -1 0 291.372 3.800 20 0 CHADRM CC(C)NC(=O)c1cccc(Nc2ccccc2[S-])c1 ZINC001174185604 1132754740 /nfs/dbraw/zinc/75/47/40/1132754740.db2.gz IJSLRNWRFMPUJU-UHFFFAOYSA-N -1 0 286.400 3.857 20 0 CHADRM Cc1n[nH]c(C)c1Nc1ccc2[n-]c(=S)sc2c1 ZINC001174215441 1132761136 /nfs/dbraw/zinc/76/11/36/1132761136.db2.gz TVIVGLFBZRHMSH-UHFFFAOYSA-N -1 0 276.390 3.669 20 0 CHADRM Cn1cnc2ccc(Nc3ccccc3[S-])cc21 ZINC001174347836 1132806500 /nfs/dbraw/zinc/80/65/00/1132806500.db2.gz WQGFHTKUJCXTMY-UHFFFAOYSA-N -1 0 255.346 3.606 20 0 CHADRM COc1cc(Nc2cccc(C(C)(C)O)c2)ccc1[S-] ZINC001174407769 1132846642 /nfs/dbraw/zinc/84/66/42/1132846642.db2.gz MTPSNLIECAAVAA-UHFFFAOYSA-N -1 0 289.400 3.955 20 0 CHADRM Nc1cccc(Nc2ccc(Cl)c([O-])c2F)c1 ZINC001159464625 1132849726 /nfs/dbraw/zinc/84/97/26/1132849726.db2.gz KKXJQBXRBQQLQU-UHFFFAOYSA-N -1 0 252.676 3.511 20 0 CHADRM Cn1nc(C(C)(C)C)cc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495226 1132861470 /nfs/dbraw/zinc/86/14/70/1132861470.db2.gz ORYUHKYJUKNAEJ-CMDGGOBGSA-N -1 0 299.374 3.559 20 0 CHADRM Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)c(C)cc1O ZINC001174496584 1132862667 /nfs/dbraw/zinc/86/26/67/1132862667.db2.gz NZEBAMOLYXAUHU-VOTSOKGWSA-N -1 0 283.327 3.850 20 0 CHADRM CC(=O)c1ccc(F)c(Nc2cccc(C=CC(=O)[O-])c2)c1 ZINC001174499092 1132863872 /nfs/dbraw/zinc/86/38/72/1132863872.db2.gz AFSAZWMXHRYUPF-VMPITWQZSA-N -1 0 299.301 3.870 20 0 CHADRM CCOc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1 ZINC001174500385 1132865256 /nfs/dbraw/zinc/86/52/56/1132865256.db2.gz QICXUVJAPZTRKB-IZZDOVSWSA-N -1 0 283.327 3.927 20 0 CHADRM O=C([O-])c1cc(Cl)cc(Nc2cccc3n[nH]cc32)c1 ZINC001159574599 1132865420 /nfs/dbraw/zinc/86/54/20/1132865420.db2.gz ILALZNQXXFMONX-UHFFFAOYSA-N -1 0 287.706 3.658 20 0 CHADRM CC(C)(O)c1cncc(Nc2cc(Cl)ccc2[S-])c1 ZINC001174591797 1132918785 /nfs/dbraw/zinc/91/87/85/1132918785.db2.gz BXRQBKXXHBFKHJ-UHFFFAOYSA-N -1 0 294.807 3.995 20 0 CHADRM Nc1cccc(F)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001159904248 1132922098 /nfs/dbraw/zinc/92/20/98/1132922098.db2.gz WIHPFMMCLKLZHQ-UHFFFAOYSA-N -1 0 280.686 3.503 20 0 CHADRM COc1ccc(Nc2cccc3[nH]ccc32)cc1C(=O)[O-] ZINC001159935664 1132926363 /nfs/dbraw/zinc/92/63/63/1132926363.db2.gz FCPVBIUCGYLTMC-UHFFFAOYSA-N -1 0 282.299 3.618 20 0 CHADRM CCn1cc(Nc2cc(Cl)ccc2[S-])cn1 ZINC001174568235 1132927823 /nfs/dbraw/zinc/92/78/23/1132927823.db2.gz PFDIFKLKZOXVTI-UHFFFAOYSA-N -1 0 253.758 3.589 20 0 CHADRM 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297.439 3.743 20 0 CHADRM CCCC[C@H](C)C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000314615412 963778090 /nfs/dbraw/zinc/77/80/90/963778090.db2.gz PEDYGMIGFUWTII-AWEZNQCLSA-N -1 0 291.391 3.629 20 0 CHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000315054115 963850434 /nfs/dbraw/zinc/85/04/34/963850434.db2.gz YQWVCSAVELOIBZ-GFCCVEGCSA-N -1 0 298.342 3.576 20 0 CHADRM CCc1ccc(NC(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])c1 ZINC000319688291 970561173 /nfs/dbraw/zinc/56/11/73/970561173.db2.gz TYINULUBVNHDCM-UHFFFAOYSA-N -1 0 297.354 3.816 20 0 CHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc(CC3CCCCC3)no2)C1 ZINC000393588617 972615344 /nfs/dbraw/zinc/61/53/44/972615344.db2.gz MWIVLQFGHLBFIM-CHWSQXEVSA-N -1 0 292.379 3.551 20 0 CHADRM CC1(C)C(C)(C)C1(C)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001603314773 972619291 /nfs/dbraw/zinc/61/92/91/972619291.db2.gz OUYVQZAUOCBXPQ-UHFFFAOYSA-N -1 0 290.359 3.500 20 0 CHADRM C[C@@H]1C[C@H](OC(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC(C)(C)C1 ZINC001605025822 972636791 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3.679 20 0 CHADRM CC(C)CC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC000630286955 975230840 /nfs/dbraw/zinc/23/08/40/975230840.db2.gz IDGZHPPOMIVNJH-UHFFFAOYSA-N -1 0 271.316 3.523 20 0 CHADRM CCC(CC)CC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630328938 975256899 /nfs/dbraw/zinc/25/68/99/975256899.db2.gz USYOSXXECWERFL-LSDHHAIUSA-N -1 0 289.375 3.640 20 0 CHADRM COCc1cc(-c2ccc([C@H](C)C(=O)[O-])s2)cs1 ZINC000630576644 975268485 /nfs/dbraw/zinc/26/84/85/975268485.db2.gz NCGGAWSBJFMKGB-QMMMGPOBSA-N -1 0 282.386 3.811 20 0 CHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2CCC=CCC2)cc1 ZINC000634804805 975276768 /nfs/dbraw/zinc/27/67/68/975276768.db2.gz UIHXBCPUJVSREK-GFCCVEGCSA-N -1 0 287.359 3.560 20 0 CHADRM CC(C)O[C@@H](CS[C@@H](C)CC(=O)[O-])c1ccccc1 ZINC001591687174 975500087 /nfs/dbraw/zinc/50/00/87/975500087.db2.gz XARHRHPTBIVFEL-JSGCOSHPSA-N -1 0 282.405 3.749 20 0 CHADRM CC(C)OC1CC(SCc2ccccc2C(=O)[O-])C1 ZINC001591696600 975538055 /nfs/dbraw/zinc/53/80/55/975538055.db2.gz 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/nfs/dbraw/zinc/25/04/48/978250448.db2.gz SFVPXVHHRBBPBR-HIFPTAJRSA-N -1 0 284.396 3.635 20 0 CHADRM C[C@H](CCC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001592479109 978256419 /nfs/dbraw/zinc/25/64/19/978256419.db2.gz ZGXXEMIAMGAWEV-LLVKDONJSA-N -1 0 277.364 3.786 20 0 CHADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c(C)c1 ZINC000788090345 978796452 /nfs/dbraw/zinc/79/64/52/978796452.db2.gz OZJLDZZEXNOVAR-UHFFFAOYSA-N -1 0 297.354 3.871 20 0 CHADRM O=C([O-])c1cccc(NC/C=C/c2ccc(F)cc2F)c1 ZINC000789898949 978798101 /nfs/dbraw/zinc/79/81/01/978798101.db2.gz QFMZENDGTNVBAV-DUXPYHPUSA-N -1 0 289.281 3.788 20 0 CHADRM CCCCCC[C@H](CC)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000799243694 978836868 /nfs/dbraw/zinc/83/68/68/978836868.db2.gz UZCWFYRUVOWKPR-LBPRGKRZSA-N -1 0 295.379 3.591 20 0 CHADRM CCCC1(c2nc(-c3cccc(C(=O)[O-])c3)no2)CCC1 ZINC000829245649 978996178 /nfs/dbraw/zinc/99/61/78/978996178.db2.gz OHVXAAZVGGTFEO-UHFFFAOYSA-N -1 0 286.331 3.657 20 0 CHADRM Cc1cc(CNc2ccc(C(=O)[O-])c(C)c2)c(C)o1 ZINC000840997096 979299307 /nfs/dbraw/zinc/29/93/07/979299307.db2.gz SQPMRRGVFZXYLG-UHFFFAOYSA-N -1 0 259.305 3.515 20 0 CHADRM CCC(CC)[C@@H](C)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001595106220 979429747 /nfs/dbraw/zinc/42/97/47/979429747.db2.gz YWPWGIQLJAPPKB-IUODEOHRSA-N -1 0 297.439 3.599 20 0 CHADRM CCC(CC)[C@H](C)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001595107117 979438034 /nfs/dbraw/zinc/43/80/34/979438034.db2.gz ZNDAECFZWIPEDO-NSHDSACASA-N -1 0 277.364 3.704 20 0 CHADRM C[C@@H](Cc1ccc(N[C@H]2C[C@@H]3CC[C@@H](C3)C2)cc1)C(=O)[O-] ZINC001592877956 979747354 /nfs/dbraw/zinc/74/73/54/979747354.db2.gz SEFYEZVOUJTPAS-MKVSYHDVSA-N -1 0 287.403 3.940 20 0 CHADRM C[C@@H](Cc1ccc(NCC=C(Cl)Cl)cc1)C(=O)[O-] ZINC001592877997 979747747 /nfs/dbraw/zinc/74/77/47/979747747.db2.gz TZWNVZUHNOWQML-VIFPVBQESA-N -1 0 288.174 3.681 20 0 CHADRM CCCCC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864225959 979911956 /nfs/dbraw/zinc/91/19/56/979911956.db2.gz TVSXHCMXXZAQGO-UHFFFAOYSA-N -1 0 271.316 3.667 20 0 CHADRM CC(F)(F)c1c(F)cccc1NCc1cc(C(=O)[O-])co1 ZINC001592943993 980018516 /nfs/dbraw/zinc/01/85/16/980018516.db2.gz UCCACMSUWAQDEZ-UHFFFAOYSA-N -1 0 299.248 3.841 20 0 CHADRM CC(F)(F)c1ccccc1NCc1nc(C(=O)[O-])cs1 ZINC001592945280 980025223 /nfs/dbraw/zinc/02/52/23/980025223.db2.gz WQNUBMJIJLJRCU-UHFFFAOYSA-N -1 0 298.314 3.565 20 0 CHADRM CCC[C@@H](CC)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000872729848 980119833 /nfs/dbraw/zinc/11/98/33/980119833.db2.gz CBVOGQXIMCFBFD-VXGBXAGGSA-N -1 0 277.364 3.640 20 0 CHADRM CCC[C@H](CC)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000872729847 980121387 /nfs/dbraw/zinc/12/13/87/980121387.db2.gz CBVOGQXIMCFBFD-RYUDHWBXSA-N -1 0 277.364 3.640 20 0 CHADRM C[C@H]1CC[C@@H](Nc2ccc(C(C)(C)C(=O)[O-])cc2)CS1 ZINC000901513022 980328617 /nfs/dbraw/zinc/32/86/17/980328617.db2.gz KDZZMMXFGOWHOC-SMDDNHRTSA-N -1 0 293.432 3.745 20 0 CHADRM CC[C@H](Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(=O)[O-] ZINC001595316745 980485214 /nfs/dbraw/zinc/48/52/14/980485214.db2.gz IBEZCIQBKNHZDO-VHSXEESVSA-N -1 0 279.233 3.535 20 0 CHADRM CC[C@H](Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC001595317407 980492063 /nfs/dbraw/zinc/49/20/63/980492063.db2.gz RINVVIXETXMGRR-ZDUSSCGKSA-N -1 0 290.750 3.996 20 0 CHADRM CC[C@@H](Nc1ccc(COCc2ccccc2)cc1)C(=O)[O-] ZINC001595317817 980496800 /nfs/dbraw/zinc/49/68/00/980496800.db2.gz AZNDTCXWQIOSIS-QGZVFWFLSA-N -1 0 299.370 3.679 20 0 CHADRM CC[C@H](Nc1ccc(CCC(=O)[O-])cc1)[C@@H]1CC1(C)C ZINC001595318222 980499322 /nfs/dbraw/zinc/49/93/22/980499322.db2.gz HZIGDFJHNUMDRF-GJZGRUSLSA-N -1 0 275.392 3.940 20 0 CHADRM CC[C@H](Nc1ccc(OC)c(Cc2ccccc2)c1)C(=O)[O-] ZINC001595319071 980505719 /nfs/dbraw/zinc/50/57/19/980505719.db2.gz YCZSPCLMARVTLV-INIZCTEOSA-N -1 0 299.370 3.561 20 0 CHADRM CC[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)C1CCCC1 ZINC001595323512 980524367 /nfs/dbraw/zinc/52/43/67/980524367.db2.gz VVPWWXPWOVUVFF-QMMMGPOBSA-N -1 0 288.800 3.875 20 0 CHADRM C[C@@H](C(=O)[O-])c1cccc(N[C@H]2CCCSCC2)c1 ZINC000901813626 980535244 /nfs/dbraw/zinc/53/52/44/980535244.db2.gz HOFWJTGUVYUABO-YPMHNXCESA-N -1 0 279.405 3.572 20 0 CHADRM CCc1cnc(CNc2cccc([C@H](C)C(=O)[O-])c2)s1 ZINC000901816598 980537413 /nfs/dbraw/zinc/53/74/13/980537413.db2.gz WKRHMBHFRXTMGG-JTQLQIEISA-N -1 0 290.388 3.506 20 0 CHADRM CSc1cccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)c1 ZINC000902051752 980714074 /nfs/dbraw/zinc/71/40/74/980714074.db2.gz PUGLFCFKJSIGKR-UHIISALHSA-N -1 0 279.405 3.710 20 0 CHADRM CCC1(C(=O)Oc2cccc(C(=O)[O-])c2)CCCCC1 ZINC001595368367 980826276 /nfs/dbraw/zinc/82/62/76/980826276.db2.gz AVKBWKBGXVVSJC-UHFFFAOYSA-N -1 0 276.332 3.651 20 0 CHADRM CC(C)N(Cc1ccc(C(=O)[O-])c(Cl)c1)CC(F)F ZINC000902545029 980927816 /nfs/dbraw/zinc/92/78/16/980927816.db2.gz FBWPWICLFHRJKT-UHFFFAOYSA-N -1 0 291.725 3.514 20 0 CHADRM CSc1ccc(NC[C@@H]2C[C@H]3C[C@H]3C2)cc1C(=O)[O-] ZINC000902571371 980939131 /nfs/dbraw/zinc/93/91/31/980939131.db2.gz XKZRAFYNVVEHMD-JGPRNRPPSA-N -1 0 277.389 3.565 20 0 CHADRM CC[C@@H]1CC[C@@H]1Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001595431011 981051241 /nfs/dbraw/zinc/05/12/41/981051241.db2.gz GRIAPQSPBINKSJ-SKDRFNHKSA-N -1 0 265.378 3.707 20 0 CHADRM CC[C@@H]1CCC[C@@H](CN2CCc3cc(C(=O)[O-])ccc32)C1 ZINC001595432274 981056681 /nfs/dbraw/zinc/05/66/81/981056681.db2.gz MUIIZQQUMMWDSC-ZIAGYGMSSA-N -1 0 287.403 3.964 20 0 CHADRM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001595434980 981061319 /nfs/dbraw/zinc/06/13/19/981061319.db2.gz DGXHVULQTUQKJH-ZOWXZIJZSA-N -1 0 289.375 3.640 20 0 CHADRM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001595436103 981067513 /nfs/dbraw/zinc/06/75/13/981067513.db2.gz OWYSSAJKTKZAPR-JMSVASOKSA-N -1 0 289.375 3.640 20 0 CHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001595442360 981082571 /nfs/dbraw/zinc/08/25/71/981082571.db2.gz ZKMNLRDWBYPCQD-MNOVXSKESA-N -1 0 295.404 3.910 20 0 CHADRM CCC[C@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)C(C)C ZINC000908337439 981302735 /nfs/dbraw/zinc/30/27/35/981302735.db2.gz AWIYNXLJLXVPCM-AWEZNQCLSA-N -1 0 297.439 3.600 20 0 CHADRM C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC=CCC1 ZINC000908685147 981339134 /nfs/dbraw/zinc/33/91/34/981339134.db2.gz QLPGJFJLGSHUDH-OAHLLOKOSA-N -1 0 293.750 3.723 20 0 CHADRM CCCC(C)(C)CC(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001595538177 981390310 /nfs/dbraw/zinc/39/03/10/981390310.db2.gz HCDIHLFPDULPTB-SNVBAGLBSA-N -1 0 282.336 3.798 20 0 CHADRM CCCC(C)(C)CC(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001595539226 981397723 /nfs/dbraw/zinc/39/77/23/981397723.db2.gz XWWKSDLWYOCCEO-GFCCVEGCSA-N -1 0 284.377 3.633 20 0 CHADRM CCC[C@@](C)(CC)C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595541522 981400850 /nfs/dbraw/zinc/40/08/50/981400850.db2.gz LNNHDWOIZSKGHL-CQSZACIVSA-N -1 0 298.770 3.588 20 0 CHADRM CCC/C(C)=C\C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001595565179 981454559 /nfs/dbraw/zinc/45/45/59/981454559.db2.gz DLTLRCPSSHLOHT-MMRAYRKESA-N -1 0 275.348 3.560 20 0 CHADRM CCC/C(C)=C\C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595565615 981456743 /nfs/dbraw/zinc/45/67/43/981456743.db2.gz JKDQLYLWPXHPEX-CLFYSBASSA-N -1 0 282.723 3.690 20 0 CHADRM CCC[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001595571653 981480582 /nfs/dbraw/zinc/48/05/82/981480582.db2.gz UFQPHJSPXRLABB-NSHDSACASA-N -1 0 293.363 3.548 20 0 CHADRM CCC[C@H](C)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001595572745 981485407 /nfs/dbraw/zinc/48/54/07/981485407.db2.gz OUSGKDZHKUBTQQ-NHYWBVRUSA-N -1 0 290.359 3.742 20 0 CHADRM CC(C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)=C1CCCC1 ZINC000909514335 981521652 /nfs/dbraw/zinc/52/16/52/981521652.db2.gz ZCHJVBGIIXRXBA-UHFFFAOYSA-N -1 0 287.359 3.831 20 0 CHADRM CCC[C@H](CC(C)C)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001595585738 981525778 /nfs/dbraw/zinc/52/57/78/981525778.db2.gz BPANXENUAYQZNY-CQSZACIVSA-N -1 0 292.375 3.682 20 0 CHADRM CCC[C@H](CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595586421 981532800 /nfs/dbraw/zinc/53/28/00/981532800.db2.gz YZKYZFKWJQIABR-JTQLQIEISA-N -1 0 281.327 3.597 20 0 CHADRM CCCC(CCC)SCc1ccc(C(=O)[O-])cn1 ZINC001595586740 981535270 /nfs/dbraw/zinc/53/52/70/981535270.db2.gz NMUXWAKHOIQLHU-UHFFFAOYSA-N -1 0 267.394 3.982 20 0 CHADRM CCC[C@@H](CC)S[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001595587635 981543449 /nfs/dbraw/zinc/54/34/49/981543449.db2.gz TVAAARMCSCPGMO-DTWKUNHWSA-N -1 0 257.355 3.746 20 0 CHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H](C)C2CCCC2)c1 ZINC000909831578 981649045 /nfs/dbraw/zinc/64/90/45/981649045.db2.gz ONUUTZRJIVINEM-NWDGAFQWSA-N -1 0 289.375 3.640 20 0 CHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@@H]2C=CCCC2)cc1 ZINC000909836494 981657328 /nfs/dbraw/zinc/65/73/28/981657328.db2.gz QHOLAUWRYUINRL-CHWSQXEVSA-N -1 0 287.359 3.560 20 0 CHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCC(C)(C)C2)cc1 ZINC000909837074 981657979 /nfs/dbraw/zinc/65/79/79/981657979.db2.gz TUIUUVNZONHROE-WCQYABFASA-N -1 0 289.375 3.640 20 0 CHADRM CCCC1CCC(NC(=O)c2ccsc2C(=O)[O-])CC1 ZINC001595620434 981689324 /nfs/dbraw/zinc/68/93/24/981689324.db2.gz IAICYJSBFVXPPQ-UHFFFAOYSA-N -1 0 295.404 3.535 20 0 CHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001595621122 981696438 /nfs/dbraw/zinc/69/64/38/981696438.db2.gz CFPIJAYAECCHIL-NXEZZACHSA-N -1 0 281.377 3.601 20 0 CHADRM CCCC[C@H](CC)C(=O)Nc1nc(CC)c(C(=O)[O-])s1 ZINC001595631933 981845813 /nfs/dbraw/zinc/84/58/13/981845813.db2.gz KQEWXFYFBBQYCV-VIFPVBQESA-N -1 0 298.408 3.559 20 0 CHADRM CCCC[C@H](CC)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595632059 981847991 /nfs/dbraw/zinc/84/79/91/981847991.db2.gz QAEHHEFVRAHYMV-LSDHHAIUSA-N -1 0 297.439 3.600 20 0 CHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)O[C@H](C)CC(C)C ZINC001594792419 981861719 /nfs/dbraw/zinc/86/17/19/981861719.db2.gz OKPAUKXQWPHTOS-MLGOLLRUSA-N -1 0 299.411 3.523 20 0 CHADRM CCC(C)(C)[C@@H](C)NC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001594794175 981867548 /nfs/dbraw/zinc/86/75/48/981867548.db2.gz FTCYSJOPBVTPRS-LLVKDONJSA-N -1 0 292.379 3.639 20 0 CHADRM CCC(C)(C)C(=O)OCc1cccc(C(=O)[O-])c1Cl ZINC001594794218 981868584 /nfs/dbraw/zinc/86/85/84/981868584.db2.gz HCSQJUFANZGQJK-UHFFFAOYSA-N -1 0 284.739 3.518 20 0 CHADRM CCCC[C@@H](CCC)NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595633445 981871582 /nfs/dbraw/zinc/87/15/82/981871582.db2.gz KKYRPZFKSIUCGT-CQSZACIVSA-N -1 0 291.391 3.782 20 0 CHADRM CCCC[C@H](NC(=O)/C(C)=C/C1CCC(C)CC1)C(=O)[O-] ZINC001595634352 981887023 /nfs/dbraw/zinc/88/70/23/981887023.db2.gz MCLCMARABBGMRO-WNOASSCLSA-N -1 0 295.423 3.519 20 0 CHADRM CCC(C)(C)CC(=O)O[C@H](C(=O)[O-])c1ccccc1Cl ZINC001594808222 981914908 /nfs/dbraw/zinc/91/49/08/981914908.db2.gz ICDCENFPCLPYDZ-ZDUSSCGKSA-N -1 0 298.766 3.835 20 0 CHADRM CCC(C)(C)c1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC001594815989 981949085 /nfs/dbraw/zinc/94/90/85/981949085.db2.gz YBKPPDMMWCSOOW-LBPRGKRZSA-N -1 0 291.391 3.814 20 0 CHADRM CCCC[C@@H](Nc1ccc2[nH]c(C)cc2c1)C(=O)[O-] ZINC001595646771 982001477 /nfs/dbraw/zinc/00/14/77/982001477.db2.gz UJJBDIGIHJEEMX-CQSZACIVSA-N -1 0 260.337 3.532 20 0 CHADRM CCCCC1(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001595657424 982062732 /nfs/dbraw/zinc/06/27/32/982062732.db2.gz SEHXHTSAIRWDGE-UHFFFAOYSA-N -1 0 296.750 3.914 20 0 CHADRM CCCCCC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595662642 982079855 /nfs/dbraw/zinc/07/98/55/982079855.db2.gz HSJCEHACYSPLSE-UHFFFAOYSA-N -1 0 277.364 3.930 20 0 CHADRM CC/C(C)=C(\C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594861408 982146297 /nfs/dbraw/zinc/14/62/97/982146297.db2.gz XXOCZZDNUNITJE-BQYQJAHWSA-N -1 0 299.729 3.862 20 0 CHADRM CCCCC[C@H](Nc1nc2cccc(F)c2s1)C(=O)[O-] ZINC001595688068 982182849 /nfs/dbraw/zinc/18/28/49/982182849.db2.gz WNJJTFANGMHSSB-NSHDSACASA-N -1 0 296.367 3.881 20 0 CHADRM CCCCC[C@H](Nc1ccc(C(=O)[O-])nn1)C(C)(C)C ZINC001595688321 982184083 /nfs/dbraw/zinc/18/40/83/982184083.db2.gz ZSSCKZOVRZDSDT-LBPRGKRZSA-N -1 0 279.384 3.582 20 0 CHADRM CCCCCC[C@@H](C)CC(=O)N(CC)C(C)(C)C(=O)[O-] ZINC001595695047 982216163 /nfs/dbraw/zinc/21/61/63/982216163.db2.gz NXYFGPYCKLPILS-CYBMUJFWSA-N -1 0 285.428 3.695 20 0 CHADRM CCCCCC[C@H](C)CC(=O)N(CC)C(C)(C)C(=O)[O-] ZINC001595695048 982216471 /nfs/dbraw/zinc/21/64/71/982216471.db2.gz NXYFGPYCKLPILS-ZDUSSCGKSA-N -1 0 285.428 3.695 20 0 CHADRM CCCCCC[C@H](CC)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001595699563 982258944 /nfs/dbraw/zinc/25/89/44/982258944.db2.gz ZRIOKBDCCKZICX-UONOGXRCSA-N -1 0 299.455 3.989 20 0 CHADRM CC[C@H](C)[C@@H](Sc1nc2ccc(F)cc2o1)C(=O)[O-] ZINC001594928309 982535185 /nfs/dbraw/zinc/53/51/85/982535185.db2.gz GGXZGDXLSKRKEF-WRWORJQWSA-N -1 0 283.324 3.558 20 0 CHADRM CC[C@H](C)[C@@H](SCc1cccc2cccnc21)C(=O)[O-] ZINC001594930455 982552381 /nfs/dbraw/zinc/55/23/81/982552381.db2.gz XGHXYNUHDLLART-XHDPSFHLSA-N -1 0 289.400 3.967 20 0 CHADRM CC[C@H](C)[C@H](Sc1nc(-c2ccccc2)co1)C(=O)[O-] ZINC001594930396 982552597 /nfs/dbraw/zinc/55/25/97/982552597.db2.gz WJZZRRJPQCTJBY-GWCFXTLKSA-N -1 0 291.372 3.933 20 0 CHADRM CC[C@@H](C)CC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001594935005 982585055 /nfs/dbraw/zinc/58/50/55/982585055.db2.gz UGQADXGGVPPHEM-MRVPVSSYSA-N -1 0 281.377 3.698 20 0 CHADRM CCCCCC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911739608 982622101 /nfs/dbraw/zinc/62/21/01/982622101.db2.gz VUNFNHZVJWDWQQ-UHFFFAOYSA-N -1 0 293.363 3.691 20 0 CHADRM CC[C@H](C)CCCCC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001594958296 982696993 /nfs/dbraw/zinc/69/69/93/982696993.db2.gz AVJJSWKRPKXKRR-AWEZNQCLSA-N -1 0 297.439 3.744 20 0 CHADRM CC[C@@H](C)CCCCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001594959067 982703235 /nfs/dbraw/zinc/70/32/35/982703235.db2.gz JUZIRDQMZJDCPF-GFCCVEGCSA-N -1 0 277.364 3.930 20 0 CHADRM CC[C@H](C)CCCCC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001594959384 982706557 /nfs/dbraw/zinc/70/65/57/982706557.db2.gz SHTBCQDHMIOYMC-VBQJREDUSA-N -1 0 297.439 3.743 20 0 CHADRM CC[C@H](C)CCCCC(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001594959470 982707279 /nfs/dbraw/zinc/70/72/79/982707279.db2.gz VHWAZMOTTDYQAI-ZDUSSCGKSA-N -1 0 292.375 3.826 20 0 CHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)C[C@@H]2CC=CCC2)cc1 ZINC000923105625 982727819 /nfs/dbraw/zinc/72/78/19/982727819.db2.gz 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297.439 3.839 20 0 CHADRM CCCCCC[C@@H](C)NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595697537 982244147 /nfs/dbraw/zinc/24/41/47/982244147.db2.gz LAQDVEQZALHHPZ-CYBMUJFWSA-N -1 0 291.391 3.782 20 0 CHADRM CCCCCS[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC001595724249 982345304 /nfs/dbraw/zinc/34/53/04/982345304.db2.gz VOSGUTJTAJMJMS-AWEZNQCLSA-N -1 0 298.404 3.753 20 0 CHADRM CC[C@H](C)[C@@H](Sc1ncc(C(C)(C)C)o1)C(=O)[O-] ZINC001594928276 982533744 /nfs/dbraw/zinc/53/37/44/982533744.db2.gz FQECXSCFFZKUDA-WCBMZHEXSA-N -1 0 271.382 3.564 20 0 CHADRM CC[C@@H](C)[C@@H](SCCCc1ccccc1)C(=O)[O-] ZINC001594928605 982539874 /nfs/dbraw/zinc/53/98/74/982539874.db2.gz KVLLIBCPMFBLEW-TZMCWYRMSA-N -1 0 266.406 3.852 20 0 CHADRM CCCCOc1ccccc1NCc1c[nH]c(C(=O)[O-])c1 ZINC001595781228 982561419 /nfs/dbraw/zinc/56/14/19/982561419.db2.gz VEMQMLNCGUOHTQ-UHFFFAOYSA-N -1 0 288.347 3.504 20 0 CHADRM CCCCSCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001595788782 982585145 /nfs/dbraw/zinc/58/51/45/982585145.db2.gz 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/nfs/dbraw/zinc/02/33/44/960023344.db2.gz PZAWELXTYWPJAO-UHFFFAOYSA-N -1 0 281.355 3.564 20 0 CHADRM Cc1oc(CSc2cc(C)cc(C)n2)cc1C(=O)[O-] ZINC000229846742 960097878 /nfs/dbraw/zinc/09/78/78/960097878.db2.gz DGOBRHSWJXLHCS-UHFFFAOYSA-N -1 0 277.345 3.590 20 0 CHADRM Cc1cccc(OCc2ccc(C(=O)[O-])cc2F)c1F ZINC000230923643 960173321 /nfs/dbraw/zinc/17/33/21/960173321.db2.gz OVIKQQNLTRMRNS-UHFFFAOYSA-N -1 0 278.254 3.550 20 0 CHADRM C[C@H](CC(=O)[O-])SCc1cc(Cl)ccc1F ZINC000231105942 960193633 /nfs/dbraw/zinc/19/36/33/960193633.db2.gz ISDVWXFGSYAHEJ-SSDOTTSWSA-N -1 0 262.733 3.576 20 0 CHADRM Cc1cc(CNc2cc(C)ccc2C)oc1C(=O)[O-] ZINC000232439172 960271930 /nfs/dbraw/zinc/27/19/30/960271930.db2.gz WGRHDWLIGXONQA-UHFFFAOYSA-N -1 0 259.305 3.515 20 0 CHADRM CCC1(CNc2ncc(C(=O)[O-])cc2Cl)CCCC1 ZINC000233004776 960310130 /nfs/dbraw/zinc/31/01/30/960310130.db2.gz TVTIZPPTHCBPHO-UHFFFAOYSA-N -1 0 282.771 3.816 20 0 CHADRM CCCOc1ccc(NCc2cccc(C(=O)[O-])c2)cc1 ZINC000233251852 960316255 /nfs/dbraw/zinc/31/62/55/960316255.db2.gz DNHWRTVBDXPDEM-UHFFFAOYSA-N -1 0 285.343 3.786 20 0 CHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001588658115 960421703 /nfs/dbraw/zinc/42/17/03/960421703.db2.gz VDLIRLMUBRFVPQ-UONOGXRCSA-N -1 0 290.359 3.500 20 0 CHADRM C[C@H]1CCC[C@@H](Nc2ncc(C(=O)[O-])cc2Cl)CC1 ZINC000235657785 960473657 /nfs/dbraw/zinc/47/36/57/960473657.db2.gz IUUOSHCBKROMGB-GXSJLCMTSA-N -1 0 282.771 3.814 20 0 CHADRM Cc1sc(NCC2(C)CCCCC2)nc1C(=O)[O-] ZINC000235970174 960538885 /nfs/dbraw/zinc/53/88/85/960538885.db2.gz VBQTVHBNSUDVHU-UHFFFAOYSA-N -1 0 268.382 3.532 20 0 CHADRM O=C([O-])c1ccc(CSCC2CCCC2)cc1F ZINC000236482561 960670859 /nfs/dbraw/zinc/67/08/59/960670859.db2.gz OMOVQPPGCAKCAE-UHFFFAOYSA-N -1 0 268.353 3.947 20 0 CHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)c2ccc(C)c(C)c2)c1 ZINC001574315425 960779856 /nfs/dbraw/zinc/77/98/56/960779856.db2.gz MPFIIKVQYKORNL-UHFFFAOYSA-N -1 0 297.354 3.587 20 0 CHADRM Cc1cc(OC(=O)c2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001574343159 960946369 /nfs/dbraw/zinc/94/63/69/960946369.db2.gz GGVCGZFSAAEGSC-UHFFFAOYSA-N -1 0 290.702 3.566 20 0 CHADRM Cc1ccc2oc(NC[C@H](CC(=O)[O-])CC(C)C)nc2c1 ZINC001574384498 961126680 /nfs/dbraw/zinc/12/66/80/961126680.db2.gz NLNKFZNCSOEKFL-LBPRGKRZSA-N -1 0 290.363 3.685 20 0 CHADRM CC(C)(C)c1ccc(OC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001588741079 961165935 /nfs/dbraw/zinc/16/59/35/961165935.db2.gz LHGVVBADRADKGS-ZDUSSCGKSA-N -1 0 292.375 3.636 20 0 CHADRM CC(C)(C)c1ccc(OC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001588741078 961166133 /nfs/dbraw/zinc/16/61/33/961166133.db2.gz LHGVVBADRADKGS-CYBMUJFWSA-N -1 0 292.375 3.636 20 0 CHADRM Cc1cccc(Oc2cccc(NC(=O)CCC(=O)[O-])c2)c1 ZINC001574397214 961215168 /nfs/dbraw/zinc/21/51/68/961215168.db2.gz KPWPJQHZSKIIOS-UHFFFAOYSA-N -1 0 299.326 3.591 20 0 CHADRM C[C@@](NCc1cc2ccccc2o1)(C(=O)[O-])c1ccccc1 ZINC001334011469 961742337 /nfs/dbraw/zinc/74/23/37/961742337.db2.gz WUPNVPRPGZLCML-SFHVURJKSA-N -1 0 295.338 3.522 20 0 CHADRM O=C([O-])c1ccc(COC(=O)/C=C\C2CCCCC2)cc1 ZINC001574512897 961817361 /nfs/dbraw/zinc/81/73/61/961817361.db2.gz YYEWPFJMPBXUOT-FLIBITNWSA-N -1 0 288.343 3.565 20 0 CHADRM O=C([O-])c1ccccc1NC(=O)CCCCc1ccccc1 ZINC001574524295 961866049 /nfs/dbraw/zinc/86/60/49/961866049.db2.gz KXMPNWQZWGYDTR-UHFFFAOYSA-N -1 0 297.354 3.736 20 0 CHADRM CC(C)CN(C(=O)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001588872153 962091869 /nfs/dbraw/zinc/09/18/69/962091869.db2.gz GCOCCXBOGZPVES-UHFFFAOYSA-N -1 0 297.782 3.584 20 0 CHADRM CC(C)C[C@H](CNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC(=O)[O-] ZINC001588887267 962180386 /nfs/dbraw/zinc/18/03/86/962180386.db2.gz BMKMFSMNHJYXKE-MCIONIFRSA-N -1 0 299.455 3.558 20 0 CHADRM CCCC[C@@H](C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000302473815 963088146 /nfs/dbraw/zinc/08/81/46/963088146.db2.gz XTDBZKCGDBHKLK-SECBINFHSA-N -1 0 283.755 3.803 20 0 CHADRM Cc1ccc(C(=O)[O-])cc1OC[C@@H](C)CC(C)C ZINC000305945665 963166231 /nfs/dbraw/zinc/16/62/31/963166231.db2.gz MFBDZCCXLDPICV-NSHDSACASA-N -1 0 250.338 3.754 20 0 CHADRM Cc1ccc(C)c(SCc2ncccc2C(=O)[O-])c1 ZINC000305956500 963167620 /nfs/dbraw/zinc/16/76/20/963167620.db2.gz NWIPXYAAKAKRTL-UHFFFAOYSA-N -1 0 273.357 3.689 20 0 CHADRM CC[C@@H](CC(C)C)C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000307992312 963245069 /nfs/dbraw/zinc/24/50/69/963245069.db2.gz JYPMBIFOMYMVBI-JTQLQIEISA-N -1 0 283.393 3.766 20 0 CHADRM CCC[C@H](CC(C)C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000308001922 963248289 /nfs/dbraw/zinc/24/82/89/963248289.db2.gz QXUUOJYRROPZJH-HUUCEWRRSA-N -1 0 297.439 3.552 20 0 CHADRM Cc1cccc(Sc2nc(Cl)c(C(=O)[O-])s2)c1 ZINC000310456465 963410329 /nfs/dbraw/zinc/41/03/29/963410329.db2.gz ZHENGTYNBFNSBG-UHFFFAOYSA-N -1 0 285.777 3.954 20 0 CHADRM CCC1(CNc2nc(Cl)c(C(=O)[O-])s2)CCCC1 ZINC000311096993 963458650 /nfs/dbraw/zinc/45/86/50/963458650.db2.gz AJGNSDWCTPKWKK-UHFFFAOYSA-N -1 0 288.800 3.877 20 0 CHADRM CCCCC1CCC(C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000313940761 963693718 /nfs/dbraw/zinc/69/37/18/963693718.db2.gz ILMHQAYQVCAFRE-UHFFFAOYSA-N -1 0 297.439 3.600 20 0 CHADRM Cc1cccc(N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000315923919 963953530 /nfs/dbraw/zinc/95/35/30/963953530.db2.gz WHBXSXNVWOSQAP-UHFFFAOYSA-N -1 0 298.342 3.670 20 0 CHADRM CCc1ccccc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000317076466 970323849 /nfs/dbraw/zinc/32/38/49/970323849.db2.gz ZJQOZZNMECHYSB-UHFFFAOYSA-N -1 0 294.310 3.664 20 0 CHADRM C[C@]1(CNc2ccc(Cl)c(C(=O)[O-])c2)CCCS1 ZINC000392867183 972536877 /nfs/dbraw/zinc/53/68/77/972536877.db2.gz ICCZEZDAIZZPIP-CYBMUJFWSA-N -1 0 285.796 3.736 20 0 CHADRM C[C@H](OC(=O)CCCCC(=O)[O-])c1cc2ccccc2o1 ZINC001605053887 972669877 /nfs/dbraw/zinc/66/98/77/972669877.db2.gz HOYCKURFDOWIRZ-NSHDSACASA-N -1 0 290.315 3.682 20 0 CHADRM CC1=C(C)C[C@H](C(=O)OCc2ccc(C(=O)[O-])cc2)CC1 ZINC001603351911 972772457 /nfs/dbraw/zinc/77/24/57/972772457.db2.gz FSGDFLMTQLAIOV-OAHLLOKOSA-N -1 0 288.343 3.565 20 0 CHADRM CC(C)(CCNc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000395625705 972814488 /nfs/dbraw/zinc/81/44/88/972814488.db2.gz CFYHYDWCKLLCKA-UHFFFAOYSA-N -1 0 275.270 3.618 20 0 CHADRM CCC[C@@H](CC)NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396347941 972859197 /nfs/dbraw/zinc/85/91/97/972859197.db2.gz BQEWEFNCBLJQFT-WCQYABFASA-N -1 0 292.379 3.575 20 0 CHADRM O=C([O-])c1ccc(CNc2ccc3c(c2)CCCCC3)nc1 ZINC000404495049 973730426 /nfs/dbraw/zinc/73/04/26/973730426.db2.gz UEAGTPWYLJYDAM-UHFFFAOYSA-N -1 0 296.370 3.661 20 0 CHADRM Cc1ccc(C)c(NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000538576587 974390816 /nfs/dbraw/zinc/39/08/16/974390816.db2.gz SNAIUWRKYVMALP-UHFFFAOYSA-N -1 0 297.354 3.573 20 0 CHADRM Cc1oc(CN([C@@H](C)c2ccco2)C2CC2)cc1C(=O)[O-] ZINC000572848472 974755217 /nfs/dbraw/zinc/75/52/17/974755217.db2.gz MELSOXRVZZTXGR-JTQLQIEISA-N -1 0 289.331 3.605 20 0 CHADRM CCCC[C@@H](Sc1ncnc2cccc(F)c21)C(=O)[O-] ZINC000629381613 975091754 /nfs/dbraw/zinc/09/17/54/975091754.db2.gz QDBHZTMZFCPIMS-LLVKDONJSA-N -1 0 294.351 3.504 20 0 CHADRM Cc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])c(Cl)c1C ZINC000647599215 975369923 /nfs/dbraw/zinc/36/99/23/975369923.db2.gz RIYFYTFEPDFDSE-UHFFFAOYSA-N -1 0 297.782 3.786 20 0 CHADRM CCC(CC)CCCN(C)C(=O)c1cc(C(=O)[O-])oc1C ZINC000659226640 975837926 /nfs/dbraw/zinc/83/79/26/975837926.db2.gz GPGDCFHFDJJWTH-UHFFFAOYSA-N -1 0 295.379 3.575 20 0 CHADRM CC[C@H](Cc1cccs1)Nc1cccc(CC(=O)[O-])c1 ZINC000666578152 975974725 /nfs/dbraw/zinc/97/47/25/975974725.db2.gz VMBQUXSUPYJCTG-CYBMUJFWSA-N -1 0 289.400 3.808 20 0 CHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(C(=O)[O-])cs2)C1(C)C ZINC000683328656 976088097 /nfs/dbraw/zinc/08/80/97/976088097.db2.gz FLWKAPNGAIQKKL-CMPLNLGQSA-N -1 0 293.388 3.623 20 0 CHADRM CCCC[C@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000684110239 976092519 /nfs/dbraw/zinc/09/25/19/976092519.db2.gz SCNDICVPOKZEGS-RYUDHWBXSA-N -1 0 297.420 3.597 20 0 CHADRM CC(C)c1ccc(NC(=O)C2=CCCCC2)c(C(=O)[O-])c1 ZINC001591963002 976551376 /nfs/dbraw/zinc/55/13/76/976551376.db2.gz SFMNHKJTOUPPMJ-UHFFFAOYSA-N -1 0 287.359 3.947 20 0 CHADRM CC(C)c1ccc(NCc2ccc(C(=O)[O-])c(F)c2)cn1 ZINC001591968127 976565447 /nfs/dbraw/zinc/56/54/47/976565447.db2.gz JKDGPQQQSCOBEV-UHFFFAOYSA-N -1 0 288.322 3.654 20 0 CHADRM CC(C)c1ccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001591969234 976569571 /nfs/dbraw/zinc/56/95/71/976569571.db2.gz ZPDKUAJBWFCIHW-CSKARUKUSA-N -1 0 299.326 3.753 20 0 CHADRM CC(C)c1cccc(COC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001591992280 976624557 /nfs/dbraw/zinc/62/45/57/976624557.db2.gz VWONILLKIQZUFJ-UHFFFAOYSA-N -1 0 298.338 3.865 20 0 CHADRM CCC(C)(C)CC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000700352980 976951662 /nfs/dbraw/zinc/95/16/62/976951662.db2.gz MWDIWGONVBGHKK-NSHDSACASA-N -1 0 277.364 3.640 20 0 CHADRM C[C@@H](CC(=O)Nc1c(C(=O)[O-])ccc2ccccc21)C1CC1 ZINC001592262041 977506151 /nfs/dbraw/zinc/50/61/51/977506151.db2.gz MELDOKJHZGGTBP-NSHDSACASA-N -1 0 297.354 3.913 20 0 CHADRM C[C@H](CC(=O)[O-])c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001592423520 978039964 /nfs/dbraw/zinc/03/99/64/978039964.db2.gz GCBTWYXXBCAJOB-SNVBAGLBSA-N -1 0 275.735 3.980 20 0 CHADRM C[C@H](CC1CCCCC1)C(=O)Nc1sccc1C(=O)[O-] ZINC001592465902 978209759 /nfs/dbraw/zinc/20/97/59/978209759.db2.gz OHQJNMNWHXRDTC-SNVBAGLBSA-N -1 0 295.404 3.991 20 0 CHADRM C[C@@H](C(=O)[O-])c1cccc(N[C@@H](C)CCC2CC2)c1 ZINC001592477785 978246034 /nfs/dbraw/zinc/24/60/34/978246034.db2.gz NEGLBIDNMRNFSI-NWDGAFQWSA-N -1 0 261.365 3.865 20 0 CHADRM C[C@H](CCC1CC1)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001592477816 978247079 /nfs/dbraw/zinc/24/70/79/978247079.db2.gz NWUIFLBIXZBMIP-CHWSQXEVSA-N -1 0 275.392 3.940 20 0 CHADRM C[C@H](CCC(C)(C)C)C(=O)Nc1c(F)cccc1C(=O)[O-] ZINC001592478571 978252059 /nfs/dbraw/zinc/25/20/59/978252059.db2.gz UBVMRHNHBLADHM-SNVBAGLBSA-N -1 0 295.354 3.925 20 0 CHADRM O=C([O-])CCCC(=O)Nc1cccc(-c2cccs2)c1 ZINC000753975479 978695444 /nfs/dbraw/zinc/69/54/44/978695444.db2.gz CLTJRBPLEMHZOG-UHFFFAOYSA-N -1 0 289.356 3.609 20 0 CHADRM Cc1ccc(NC[C@H]2CCOc3ccccc32)cc1C(=O)[O-] ZINC000789903339 978798811 /nfs/dbraw/zinc/79/88/11/978798811.db2.gz WRSZAKHVWSGXJK-CYBMUJFWSA-N -1 0 297.354 3.671 20 0 CHADRM C[C@H](N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl)C(C)(C)C ZINC000811820273 978864650 /nfs/dbraw/zinc/86/46/50/978864650.db2.gz UHQJPRKNIABLAB-VIFPVBQESA-N -1 0 297.782 3.545 20 0 CHADRM Cc1cscc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811823872 978868349 /nfs/dbraw/zinc/86/83/49/978868349.db2.gz YGUHUPWJTWPPFG-UHFFFAOYSA-N -1 0 295.747 3.660 20 0 CHADRM CC[C@H](CC(=O)Nc1scc(C(=O)[O-])c1C)C(C)C ZINC001595036362 979193807 /nfs/dbraw/zinc/19/38/07/979193807.db2.gz BPTLPLGTKLDUPQ-SNVBAGLBSA-N -1 0 283.393 3.766 20 0 CHADRM CCC(CC)(CCSc1ccncc1C)C(=O)[O-] ZINC001595063259 979321629 /nfs/dbraw/zinc/32/16/29/979321629.db2.gz OYCGJJVYJULNSC-UHFFFAOYSA-N -1 0 267.394 3.763 20 0 CHADRM CC(C)OC[C@@H](C)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001592771144 979385411 /nfs/dbraw/zinc/38/54/11/979385411.db2.gz AVTSITQPAHFRCC-GFCCVEGCSA-N -1 0 287.359 3.763 20 0 CHADRM CCC(CC)[C@H](C)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001595106222 979429460 /nfs/dbraw/zinc/42/94/60/979429460.db2.gz 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257.182 3.682 20 0 CHADRM CCCC[C@H](SCCOc1ccc(F)cc1)C(=O)[O-] ZINC001595656370 982052261 /nfs/dbraw/zinc/05/22/61/982052261.db2.gz XPEUMUQLRSADSJ-ZDUSSCGKSA-N -1 0 286.368 3.581 20 0 CHADRM CCCC[C@H](SCc1csc(CC)n1)C(=O)[O-] ZINC001595656822 982055813 /nfs/dbraw/zinc/05/58/13/982055813.db2.gz DCAVHKVIUNGDQG-JTQLQIEISA-N -1 0 273.423 3.582 20 0 CHADRM CCCC[C@H](Sc1nc2cc(F)ccc2o1)C(=O)[O-] ZINC001595656817 982056328 /nfs/dbraw/zinc/05/63/28/982056328.db2.gz CVARYSYVKHQQSB-NSHDSACASA-N -1 0 283.324 3.702 20 0 CHADRM CCCC[C@H](SCc1cn2c(cccc2C)n1)C(=O)[O-] ZINC001595656769 982056352 /nfs/dbraw/zinc/05/63/52/982056352.db2.gz ACXYCONXSIGWNJ-ZDUSSCGKSA-N -1 0 292.404 3.519 20 0 CHADRM CCCC[C@@H](Sc1ccncc1C(F)(F)F)C(=O)[O-] ZINC001595657108 982059004 /nfs/dbraw/zinc/05/90/04/982059004.db2.gz IESRPRAXGZBXLB-SNVBAGLBSA-N -1 0 293.310 3.836 20 0 CHADRM CCCC[C@@H](SCc1ccccc1OCC)C(=O)[O-] ZINC001595657331 982061824 /nfs/dbraw/zinc/06/18/24/982061824.db2.gz LQIWMKKIXVCLRF-CQSZACIVSA-N -1 0 282.405 3.962 20 0 CHADRM CCCC[C@H](SCc1ncoc1C(C)C)C(=O)[O-] ZINC001595657831 982066652 /nfs/dbraw/zinc/06/66/52/982066652.db2.gz SVSKGWTWDRVGFG-NSHDSACASA-N -1 0 271.382 3.675 20 0 CHADRM CCCC[C@H](Sc1nc2ccccc2nc1F)C(=O)[O-] ZINC001595657873 982066803 /nfs/dbraw/zinc/06/68/03/982066803.db2.gz UTQOQTVIISCBGO-NSHDSACASA-N -1 0 294.351 3.504 20 0 CHADRM CCCCC[C@@H](CC)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001595669839 982114934 /nfs/dbraw/zinc/11/49/34/982114934.db2.gz KNIZSKGMDMWEBX-CHWSQXEVSA-N -1 0 285.428 3.599 20 0 CHADRM CC/C(C)=C(\C)C(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-] ZINC001594862223 982154154 /nfs/dbraw/zinc/15/41/54/982154154.db2.gz UVGILFOQBSGHRU-RDRICISKSA-N -1 0 289.375 3.629 20 0 CHADRM CCCCCC[C@](C)(CCC)C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001595695616 982221006 /nfs/dbraw/zinc/22/10/06/982221006.db2.gz ZFIJGSGTCCDSCT-KEYYUXOJSA-N -1 0 297.439 3.743 20 0 CHADRM CCCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001595712314 982307182 /nfs/dbraw/zinc/30/71/82/982307182.db2.gz 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CHADRM CCCC[C@@H](SCc1csc(CC)n1)C(=O)[O-] ZINC001595656823 982055799 /nfs/dbraw/zinc/05/57/99/982055799.db2.gz DCAVHKVIUNGDQG-SNVBAGLBSA-N -1 0 273.423 3.582 20 0 CHADRM CCCC[C@H](SCc1ccc(OC)cc1)C(=O)[O-] ZINC001595657722 982065402 /nfs/dbraw/zinc/06/54/02/982065402.db2.gz QTWOYKYVBWCXIH-ZDUSSCGKSA-N -1 0 268.378 3.572 20 0 CHADRM CCCC[C@H](SCc1ccc(F)cc1)C(=O)[O-] ZINC001595657862 982066438 /nfs/dbraw/zinc/06/64/38/982066438.db2.gz UNNYDXRCLGGALI-LBPRGKRZSA-N -1 0 256.342 3.702 20 0 CHADRM CCCCCC(C)(C)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001595662444 982078837 /nfs/dbraw/zinc/07/88/37/982078837.db2.gz FEECIHMKIRLYFZ-UHFFFAOYSA-N -1 0 278.348 3.897 20 0 CHADRM CCCCC[C@](C)(CC)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001595666271 982098818 /nfs/dbraw/zinc/09/88/18/982098818.db2.gz HMNJOSXCBWFELR-KEYYUXOJSA-N -1 0 297.439 3.743 20 0 CHADRM CCCCC[C@@H](C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001595666667 982106104 /nfs/dbraw/zinc/10/61/04/982106104.db2.gz QCFBZXXXHNIUJC-GFCCVEGCSA-N -1 0 277.364 3.930 20 0 CHADRM CCCCC[C@@H](NC(=O)[C@H](CC)C(=O)[O-])c1ccccc1 ZINC001595669293 982113065 /nfs/dbraw/zinc/11/30/65/982113065.db2.gz GYPSXYFNBNHLEI-LSDHHAIUSA-N -1 0 291.391 3.535 20 0 CHADRM CCCCC[C@H](NC(=O)[C@@H](CC)C(=O)[O-])c1ccccc1 ZINC001595669284 982113371 /nfs/dbraw/zinc/11/33/71/982113371.db2.gz GYPSXYFNBNHLEI-CABCVRRESA-N -1 0 291.391 3.535 20 0 CHADRM CCCCCCC(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001595694849 982214337 /nfs/dbraw/zinc/21/43/37/982214337.db2.gz IPZDVAJGIIROOP-UHFFFAOYSA-N -1 0 277.364 3.856 20 0 CHADRM CCCCCC[C@](C)(CC)C(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001595694926 982215132 /nfs/dbraw/zinc/21/51/32/982215132.db2.gz LDBLTTZTVGSCGI-LNCSJBFCSA-N -1 0 283.412 3.519 20 0 CHADRM CCCCCC[C@@](C)(CC)C(=O)NCC(C)(C)C(=O)[O-] ZINC001595695552 982219590 /nfs/dbraw/zinc/21/95/90/982219590.db2.gz XJQNBDKOTICKAZ-MRXNPFEDSA-N -1 0 285.428 3.600 20 0 CHADRM CC[C@@H](C)[C@H](C)Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594883588 982253389 /nfs/dbraw/zinc/25/33/89/982253389.db2.gz SYBXGHCCZBOYQD-SFYZADRCSA-N -1 0 290.285 3.645 20 0 CHADRM CCCCCC[C@H](C)CC(=O)NCc1ccoc1C(=O)[O-] ZINC001595699171 982256435 /nfs/dbraw/zinc/25/64/35/982256435.db2.gz XDRCBHOSTVWWRD-LBPRGKRZSA-N -1 0 295.379 3.591 20 0 CHADRM CCCCCc1ccc(Oc2nccc(C(=O)[O-])n2)cc1 ZINC001595727771 982355081 /nfs/dbraw/zinc/35/50/81/982355081.db2.gz LRZPLHRSUHOYED-UHFFFAOYSA-N -1 0 286.331 3.700 20 0 CHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@H](C)CC ZINC001595732384 982368732 /nfs/dbraw/zinc/36/87/32/982368732.db2.gz XLZBJLBODKFQFQ-LLVKDONJSA-N -1 0 295.354 3.565 20 0 CHADRM CC[C@@H](C)[C@H](Sc1ccc2ccccc2n1)C(=O)[O-] ZINC001594928469 982537283 /nfs/dbraw/zinc/53/72/83/982537283.db2.gz ITCSXFKNMUKNBC-YGRLFVJLSA-N -1 0 275.373 3.826 20 0 CHADRM CC[C@H](C)[C@H](Sc1ncc(-c2ccccc2)o1)C(=O)[O-] ZINC001594928610 982539619 /nfs/dbraw/zinc/53/96/19/982539619.db2.gz KWWYRJSTQKUKDH-GWCFXTLKSA-N -1 0 291.372 3.933 20 0 CHADRM CC[C@H](C)[C@@H](Sc1nc(-c2ccccc2)co1)C(=O)[O-] ZINC001594930397 982552433 /nfs/dbraw/zinc/55/24/33/982552433.db2.gz WJZZRRJPQCTJBY-GXFFZTMASA-N -1 0 291.372 3.933 20 0 CHADRM CC[C@H](C)C[C@H](NC(=O)CCC1CCCCCC1)C(=O)[O-] ZINC001594938362 982606487 /nfs/dbraw/zinc/60/64/87/982606487.db2.gz JGWKHSHQCOJRRW-ZFWWWQNUSA-N -1 0 297.439 3.743 20 0 CHADRM CC[C@@H](C)CCC(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001594958580 982699488 /nfs/dbraw/zinc/69/94/88/982699488.db2.gz WBXHYKXLFMODHT-MRVPVSSYSA-N -1 0 269.366 3.520 20 0 CHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000923090919 982717246 /nfs/dbraw/zinc/71/72/46/982717246.db2.gz HDKSRXQNQRGLSA-PSASIEDQSA-N -1 0 281.377 3.520 20 0 CHADRM CC[C@@H](C)CN[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594964217 982718076 /nfs/dbraw/zinc/71/80/76/982718076.db2.gz HBAOJCHZPFGHFX-BXKDBHETSA-N -1 0 289.297 3.624 20 0 CHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000923094420 982719616 /nfs/dbraw/zinc/71/96/16/982719616.db2.gz KCLFPWCKRBVGNT-MNOVXSKESA-N -1 0 293.388 3.520 20 0 CHADRM CC[C@@H](C)CS[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC001594967266 982726800 /nfs/dbraw/zinc/72/68/00/982726800.db2.gz NGXBBXDOMNAKHQ-ZWNOBZJWSA-N -1 0 268.378 3.600 20 0 CHADRM CC[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1C)C(C)C ZINC001116329971 982929308 /nfs/dbraw/zinc/92/93/08/982929308.db2.gz OORDUAQHZNCUIY-LBPRGKRZSA-N -1 0 277.364 3.704 20 0 CHADRM CC[C@H](C)c1cccc(NCc2cccc(C(=O)[O-])n2)c1 ZINC001595013273 982946078 /nfs/dbraw/zinc/94/60/78/982946078.db2.gz DXVFPDSHZQSQIZ-LBPRGKRZSA-N -1 0 284.359 3.905 20 0 CHADRM CC[C@H](C)c1cccc(NC(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001595014458 982951919 /nfs/dbraw/zinc/95/19/19/982951919.db2.gz SRYWHBZQIDJCBA-NSHDSACASA-N -1 0 298.342 3.546 20 0 CHADRM CC[C@H](C)c1ccccc1OC(=O)c1cc(C(=O)[O-])ccn1 ZINC001595014559 982954048 /nfs/dbraw/zinc/95/40/48/982954048.db2.gz VSSMUXUNLBZUAF-NSHDSACASA-N -1 0 299.326 3.513 20 0 CHADRM CCC[C@H](NC(=O)C=C1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC001596015682 983277804 /nfs/dbraw/zinc/27/78/04/983277804.db2.gz UJSBTNKHJXYELI-KZUDCZAMSA-N 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985918940 /nfs/dbraw/zinc/91/89/40/985918940.db2.gz UFDNDNBCUWXLPA-UHFFFAOYSA-N -1 0 285.299 3.655 20 0 CHADRM C[C@@H]1Cc2ccccc2N(Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001594622572 986668039 /nfs/dbraw/zinc/66/80/39/986668039.db2.gz LSBCPNCIPIDTOC-MMQHEFTJSA-N -1 0 297.354 3.576 20 0 CHADRM CCOc1ccc(NCCC(C)(C)C(=O)[O-])cc1Cl ZINC001597122472 986817442 /nfs/dbraw/zinc/81/74/42/986817442.db2.gz BFWGDCIDQINFPI-UHFFFAOYSA-N -1 0 285.771 3.652 20 0 CHADRM CCOc1ccc(SCc2nc(C(=O)[O-])cs2)cc1 ZINC001597139650 986880001 /nfs/dbraw/zinc/88/00/01/986880001.db2.gz DHDPNLNNNNSMPV-UHFFFAOYSA-N -1 0 295.385 3.532 20 0 CHADRM C[C@@H](C(=O)Oc1cccc(C(=O)[O-])c1)[C@@H](C)C(C)(C)C ZINC001589554287 987300192 /nfs/dbraw/zinc/30/01/92/987300192.db2.gz YTFANFRPSGTRCA-GHMZBOCLSA-N -1 0 278.348 3.609 20 0 CHADRM CCSc1cccc(/C=C(\C(=O)[O-])c2ccncc2)c1 ZINC001597272440 987320691 /nfs/dbraw/zinc/32/06/91/987320691.db2.gz DAYXPDFCXHGVIF-PTNGSMBKSA-N -1 0 285.368 3.819 20 0 CHADRM CC[C@@H]1C[C@H]1CSCc1ccccc1C(=O)[O-] ZINC001597301577 987412139 /nfs/dbraw/zinc/41/21/39/987412139.db2.gz ZCIPOEPFGQLMNT-PWSUYJOCSA-N -1 0 250.363 3.664 20 0 CHADRM CC[C@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1F ZINC001597349532 987486002 /nfs/dbraw/zinc/48/60/02/987486002.db2.gz NKIJHBKOGZMTSV-HNNXBMFYSA-N -1 0 291.322 3.666 20 0 CHADRM CC(C)(C(=O)[O-])c1ccc(N[C@H]2CCc3cccnc32)cc1 ZINC001589641571 987564429 /nfs/dbraw/zinc/56/44/29/987564429.db2.gz YOACAUUGMZTBQF-HNNXBMFYSA-N -1 0 296.370 3.543 20 0 CHADRM CC(C)(C(=O)[O-])c1ccc(N[C@@H]2CCc3cccnc32)cc1 ZINC001589641573 987564549 /nfs/dbraw/zinc/56/45/49/987564549.db2.gz YOACAUUGMZTBQF-OAHLLOKOSA-N -1 0 296.370 3.543 20 0 CHADRM CC(C)(C)C(C)(C)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001589699556 987786017 /nfs/dbraw/zinc/78/60/17/987786017.db2.gz MJOLLKKHNOICOU-UHFFFAOYSA-N -1 0 299.317 3.674 20 0 CHADRM CC(C)(C)C[C@H](Nc1cnc(C(=O)[O-])cn1)c1ccccc1 ZINC001589756709 988066794 /nfs/dbraw/zinc/06/67/94/988066794.db2.gz DICHRSOXSQGMLJ-ZDUSSCGKSA-N -1 0 299.374 3.764 20 0 CHADRM CCc1ccc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)s1 ZINC001597502506 988067585 /nfs/dbraw/zinc/06/75/85/988067585.db2.gz CRNMLQVCRLTULF-UHFFFAOYSA-N -1 0 289.356 3.569 20 0 CHADRM CC(C)(C)CCCC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001589771809 988125178 /nfs/dbraw/zinc/12/51/78/988125178.db2.gz INTJBSKXSQONPD-UHFFFAOYSA-N -1 0 298.770 3.588 20 0 CHADRM CC(C)(C)CCCCC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001589772035 988128633 /nfs/dbraw/zinc/12/86/33/988128633.db2.gz WPOHZECCLFISKZ-UHFFFAOYSA-N -1 0 297.439 3.696 20 0 CHADRM CCc1ccc(C=C(C(=O)[O-])c2ccc3cc[nH]c3n2)cc1 ZINC001597519769 988141074 /nfs/dbraw/zinc/14/10/74/988141074.db2.gz AHIWVGZHNCCORG-RVDMUPIBSA-N -1 0 292.338 3.751 20 0 CHADRM CC(C)(C)CSCCc1ccccc1C(=O)[O-] ZINC001589784649 988168030 /nfs/dbraw/zinc/16/80/30/988168030.db2.gz ZXAJEMIADHTLIV-UHFFFAOYSA-N -1 0 252.379 3.707 20 0 CHADRM CCc1ccc(CNc2ccc(C(=O)[O-])cc2OC)s1 ZINC001597530116 988180139 /nfs/dbraw/zinc/18/01/39/988180139.db2.gz HSPOCXGWTZJMCD-UHFFFAOYSA-N -1 0 291.372 3.629 20 0 CHADRM 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/nfs/dbraw/zinc/30/80/12/1131308012.db2.gz VZDRCJNTZUGUEK-UHFFFAOYSA-N -1 0 283.258 3.846 20 0 CHADRM O=C([O-])c1ccc(-c2ccc(C(F)F)nc2)c(F)c1 ZINC001239255468 1131308310 /nfs/dbraw/zinc/30/83/10/1131308310.db2.gz AKOVFOWBADABMM-UHFFFAOYSA-N -1 0 267.206 3.524 20 0 CHADRM Cc1cc(C)c2ccc(-c3ccc(C(=O)[O-])cc3F)nc2n1 ZINC001239250228 1131308317 /nfs/dbraw/zinc/30/83/17/1131308317.db2.gz LOTBOVCMBZLLJM-UHFFFAOYSA-N -1 0 296.301 3.751 20 0 CHADRM CCOC(=N)c1cccc(-c2ccc(C(=O)[O-])cc2F)c1 ZINC001239262478 1131308462 /nfs/dbraw/zinc/30/84/62/1131308462.db2.gz WKSFQZKUTORJQB-UHFFFAOYSA-N -1 0 287.290 3.553 20 0 CHADRM O=C([O-])c1ccc(-c2cccc3c2CC=C3)c(F)c1 ZINC001239262462 1131308503 /nfs/dbraw/zinc/30/85/03/1131308503.db2.gz TVEUEDLWLIVFCB-UHFFFAOYSA-N -1 0 254.260 3.760 20 0 CHADRM COc1cccc2cc(-c3cc(C=O)cc(C(=O)[O-])c3)oc21 ZINC000874969948 1124871880 /nfs/dbraw/zinc/87/18/80/1124871880.db2.gz VIDLKSWUKCRJRC-UHFFFAOYSA-N -1 0 296.278 3.619 20 0 CHADRM Cc1c(-c2ccc(C=O)cc2)c2ccccc2n1CC(=O)[O-] ZINC000874971137 1124872490 /nfs/dbraw/zinc/87/24/90/1124872490.db2.gz RPEMYCWQATURSU-UHFFFAOYSA-N -1 0 293.322 3.514 20 0 CHADRM C[C@]1(c2cccc(-c3ccc(C=O)cc3)c2)C[C@@H]1C(=O)[O-] ZINC000874970390 1124872636 /nfs/dbraw/zinc/87/26/36/1124872636.db2.gz PIBTZUYUVGLMKX-SJLPKXTDSA-N -1 0 280.323 3.528 20 0 CHADRM CC(C)(C(=O)[O-])c1cccc(-c2cccc(C=O)c2)c1 ZINC000874972227 1124873958 /nfs/dbraw/zinc/87/39/58/1124873958.db2.gz UAZVBASDXCBZCS-UHFFFAOYSA-N -1 0 268.312 3.528 20 0 CHADRM Cc1ccc(/C=C/C(=O)[O-])c(-c2ccc(C=O)cc2)c1 ZINC000874973216 1124874942 /nfs/dbraw/zinc/87/49/42/1124874942.db2.gz XYMHFIYKUZTBBR-CMDGGOBGSA-N -1 0 266.296 3.572 20 0 CHADRM O=C(N[C@@H]1CCCC2(CC2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000888698640 1124924306 /nfs/dbraw/zinc/92/43/06/1124924306.db2.gz OZDFWDNULAEYKM-SNVBAGLBSA-N -1 0 297.757 3.637 20 0 CHADRM Cc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)ccc1F ZINC001239346106 1131320368 /nfs/dbraw/zinc/32/03/68/1131320368.db2.gz KTCGDYBJMFAFIO-UHFFFAOYSA-N -1 0 266.218 3.778 20 0 CHADRM O=C([O-])c1c(F)cc(-c2cc(F)cc3[nH]ccc32)cc1F ZINC001239346419 1131320716 /nfs/dbraw/zinc/32/07/16/1131320716.db2.gz PIWLWOAZOIUZEY-UHFFFAOYSA-N -1 0 291.228 3.950 20 0 CHADRM CCCCN(C(=O)c1ccc2oc(=S)[n-]c2c1)C1CC1 ZINC000821108698 1131321286 /nfs/dbraw/zinc/32/12/86/1131321286.db2.gz PBJJSTBLDWMHJR-UHFFFAOYSA-N -1 0 290.388 3.521 20 0 CHADRM COCc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)ccc1F ZINC001239361742 1131321566 /nfs/dbraw/zinc/32/15/66/1131321566.db2.gz AMBIYDOGXZPCLJ-UHFFFAOYSA-N -1 0 296.244 3.616 20 0 CHADRM CC(C)CC[C@H](C)NC(=O)c1cccc(Cl)c1[O-] ZINC001124262877 1131334676 /nfs/dbraw/zinc/33/46/76/1131334676.db2.gz YAVIQTHQZXEJEZ-JTQLQIEISA-N -1 0 269.772 3.600 20 0 CHADRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1CC12CCCCC2 ZINC000532183977 1125236874 /nfs/dbraw/zinc/23/68/74/1125236874.db2.gz NKTDOWNVPAOGGT-JTQLQIEISA-N -1 0 279.767 3.955 20 0 CHADRM CC(=O)c1cccc(NC(=O)CC(C)(C)CC(F)F)c1O ZINC000879988897 1125241370 /nfs/dbraw/zinc/24/13/70/1125241370.db2.gz LEOUCVIYGQPGMB-UHFFFAOYSA-N -1 0 299.317 3.605 20 0 CHADRM [O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1ccco1 ZINC000005273456 1125256346 /nfs/dbraw/zinc/25/63/46/1125256346.db2.gz PTIRCJBULUHWGJ-GIDUJCDVSA-N -1 0 270.115 3.911 20 0 CHADRM O=C([O-])/C=C\c1ccc(NC(=O)C2CCCCCC2)cc1 ZINC000211459347 1125306770 /nfs/dbraw/zinc/30/67/70/1125306770.db2.gz MCWBBXPLXYJSMA-XFXZXTDPSA-N -1 0 287.359 3.693 20 0 CHADRM CCC(CC)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000170208317 1125340480 /nfs/dbraw/zinc/34/04/80/1125340480.db2.gz CYLZIRLEFDCRIT-UHFFFAOYSA-N -1 0 259.708 3.559 20 0 CHADRM Cc1cc(N[C@H](C)c2cccc(O)c2F)cnc1C ZINC000883342662 1125398318 /nfs/dbraw/zinc/39/83/18/1125398318.db2.gz HJIXJYMFICECLR-LLVKDONJSA-N -1 0 260.312 3.716 20 0 CHADRM O=C([O-])c1ccc(-c2cc(F)cc(F)c2)c(Cl)c1 ZINC000149049899 1125409898 /nfs/dbraw/zinc/40/98/98/1125409898.db2.gz IDOVNQQGPWGQCW-UHFFFAOYSA-N -1 0 268.646 3.983 20 0 CHADRM COc1ccc(-c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000149056664 1125410838 /nfs/dbraw/zinc/41/08/38/1125410838.db2.gz DFXNEURAZBJHCX-UHFFFAOYSA-N -1 0 262.692 3.714 20 0 CHADRM Cc1ccc(NC(=O)c2cc(F)ccc2O)c2cccnc12 ZINC000622292880 1129245493 /nfs/dbraw/zinc/24/54/93/1129245493.db2.gz OPEJNEVTPGJIMG-UHFFFAOYSA-N -1 0 296.301 3.640 20 0 CHADRM CCCOC(=O)c1ccccc1O[C@@H](C)C1=CC=C[CH]1 ZINC001231339256 1129268848 /nfs/dbraw/zinc/26/88/48/1129268848.db2.gz DXWXJPHRBWYQMI-ZDUSSCGKSA-N -1 0 271.336 3.721 20 0 CHADRM C[C@H](c1ccccc1F)N(C)C(=O)c1cccc(F)c1[O-] ZINC001124879061 1131366094 /nfs/dbraw/zinc/36/60/94/1131366094.db2.gz UXHMRWCSBADLID-SNVBAGLBSA-N -1 0 291.297 3.504 20 0 CHADRM COc1cc(-c2ccc(C(=O)[O-])cc2OC)cc(C)c1F ZINC001240738130 1129342119 /nfs/dbraw/zinc/34/21/19/1129342119.db2.gz DXSQLTFCDTYDAA-UHFFFAOYSA-N -1 0 290.290 3.517 20 0 CHADRM COCOc1cccc(Nc2ccc([S-])cc2)c1 ZINC001212900150 1129383379 /nfs/dbraw/zinc/38/33/79/1129383379.db2.gz NKLHINQUKYSPBT-UHFFFAOYSA-N -1 0 261.346 3.702 20 0 CHADRM C[C@H](CCc1ccco1)N=c1[n-]nc(-c2ccccc2)s1 ZINC000641847874 1129394668 /nfs/dbraw/zinc/39/46/68/1129394668.db2.gz INKZWKSKFPRTOO-GFCCVEGCSA-N -1 0 299.399 3.653 20 0 CHADRM O=C([O-])/C=C\c1ccc(NC(=O)/C=C\C2CCCCC2)cc1 ZINC000738557542 1129394625 /nfs/dbraw/zinc/39/46/25/1129394625.db2.gz HDOAHAPHTOSQOM-JMVBYTIWSA-N -1 0 299.370 3.859 20 0 CHADRM OCCc1ccc(Nc2ccc(Cl)cc2[S-])cc1 ZINC001212930891 1129402465 /nfs/dbraw/zinc/40/24/65/1129402465.db2.gz ZNLUXINSQRFBAM-UHFFFAOYSA-N -1 0 279.792 3.907 20 0 CHADRM O=C([O-])c1c(F)cc(Nc2ccc3cnoc3c2)cc1F ZINC001203330221 1129507854 /nfs/dbraw/zinc/50/78/54/1129507854.db2.gz PQSIPYHVZKNBDS-UHFFFAOYSA-N -1 0 290.225 3.548 20 0 CHADRM COc1c(F)ccc(-c2cnc(C(=O)[O-])c(C)c2)c1Cl ZINC001241516522 1129564838 /nfs/dbraw/zinc/56/48/38/1129564838.db2.gz LMVCXJSRYLLDLD-UHFFFAOYSA-N -1 0 295.697 3.556 20 0 CHADRM OCc1ccc(-c2ccc3[n-]c(=S)sc3c2)cc1 ZINC001241558934 1129579858 /nfs/dbraw/zinc/57/98/58/1129579858.db2.gz UJQVOCGADPOQQS-UHFFFAOYSA-N -1 0 273.382 3.744 20 0 CHADRM CCOc1ccccc1-c1ccccc1/C=C/C(=O)[O-] ZINC001239561097 1131386759 /nfs/dbraw/zinc/38/67/59/1131386759.db2.gz TVALFOFHYKQAOM-VAWYXSNFSA-N -1 0 268.312 3.850 20 0 CHADRM CCC(CC)(CC)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746299957 1129630469 /nfs/dbraw/zinc/63/04/69/1129630469.db2.gz RCVNMFFNQYKCGC-UHFFFAOYSA-N -1 0 292.404 3.815 20 0 CHADRM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746316434 1129637127 /nfs/dbraw/zinc/63/71/27/1129637127.db2.gz RYQFXBAGHWGJGE-ZJUUUORDSA-N -1 0 292.404 3.671 20 0 CHADRM Cc1c(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)cccc1C(=O)[O-] ZINC000649243749 1129639389 /nfs/dbraw/zinc/63/93/89/1129639389.db2.gz QEWAKIIFLWHSAW-WCQYABFASA-N -1 0 289.375 3.704 20 0 CHADRM CC(C)c1cccc(N(C)C(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000190624040 1129639929 /nfs/dbraw/zinc/63/99/29/1129639929.db2.gz CILUPGJHPYGWEG-UHFFFAOYSA-N -1 0 291.391 3.664 20 0 CHADRM Cc1c(NC(=O)[C@H]2CCCC(C)(C)C2)cccc1C(=O)[O-] ZINC000649354571 1129641589 /nfs/dbraw/zinc/64/15/89/1129641589.db2.gz ZIBSXROPLXVJOH-LBPRGKRZSA-N -1 0 289.375 3.848 20 0 CHADRM COc1ccc(-c2ccc([S-])c(C)c2F)cc1O ZINC001242175662 1129667130 /nfs/dbraw/zinc/66/71/30/1129667130.db2.gz VXACEXQGYLAAFU-UHFFFAOYSA-N -1 0 264.321 3.804 20 0 CHADRM CC(C)c1cc(CNc2ccc3oc(=S)[n-]c3c2)on1 ZINC001168828944 1129675452 /nfs/dbraw/zinc/67/54/52/1129675452.db2.gz HLZUMQXQHQVDBP-UHFFFAOYSA-N -1 0 289.360 3.840 20 0 CHADRM Cc1c(F)cc(C(=O)[O-])cc1-c1ncc2ccsc2n1 ZINC001242204995 1129679890 /nfs/dbraw/zinc/67/98/90/1129679890.db2.gz RZVKOABBGZOYOY-UHFFFAOYSA-N -1 0 288.303 3.504 20 0 CHADRM O=C([O-])/C=C/c1ccccc1N[C@@H]1CCCC(F)(F)C1 ZINC001169218945 1129710050 /nfs/dbraw/zinc/71/00/50/1129710050.db2.gz PZUDCQDNUMHWJN-ABZNLYFFSA-N -1 0 281.302 3.774 20 0 CHADRM Cc1ccnc(F)c1Nc1ccc(Cl)c(O)c1 ZINC001212589408 1129719105 /nfs/dbraw/zinc/71/91/05/1129719105.db2.gz JYWSWBRPSIQUGN-UHFFFAOYSA-N -1 0 252.676 3.632 20 0 CHADRM Nc1cc2ccccc2n1-c1ccc(Cl)c(O)c1 ZINC001212589537 1129719258 /nfs/dbraw/zinc/71/92/58/1129719258.db2.gz QRZNSQICRZXKSP-UHFFFAOYSA-N -1 0 258.708 3.572 20 0 CHADRM Cc1ncc(Nc2ccc(Cl)c(O)c2)c(Cl)n1 ZINC001212589511 1129719287 /nfs/dbraw/zinc/71/92/87/1129719287.db2.gz PGCKBNLAUASEFH-UHFFFAOYSA-N -1 0 270.119 3.541 20 0 CHADRM Cc1cc(N[C@@H]2C[C@H](C)c3ccccc32)cnc1C(=O)[O-] ZINC001169379887 1129723110 /nfs/dbraw/zinc/72/31/10/1129723110.db2.gz OLEMACWSPMVSJR-ZUZCIYMTSA-N -1 0 282.343 3.749 20 0 CHADRM C[C@@H]1C[C@@H](Nc2ccccc2-c2nn[nH]n2)c2ccccc21 ZINC001169383083 1129724294 /nfs/dbraw/zinc/72/42/94/1129724294.db2.gz ZNILTXPLHDFBIW-BDJLRTHQSA-N -1 0 291.358 3.527 20 0 CHADRM CCN(Cc1ccoc1)Cc1c(Cl)cccc1C(=O)[O-] ZINC000652408309 1129764895 /nfs/dbraw/zinc/76/48/95/1129764895.db2.gz YCBOEWSEQBHNGM-UHFFFAOYSA-N -1 0 293.750 3.653 20 0 CHADRM [O-]c1c(F)cccc1-c1ccc2ccc(F)cc2n1 ZINC001242349994 1129790834 /nfs/dbraw/zinc/79/08/34/1129790834.db2.gz BRKSRUCROQNPNL-UHFFFAOYSA-N -1 0 257.239 3.886 20 0 CHADRM CC(C)(C)Oc1ccnc(-c2cccc(F)c2[O-])c1 ZINC001242353255 1129793470 /nfs/dbraw/zinc/79/34/70/1129793470.db2.gz KYKNRSJRXMDMEY-UHFFFAOYSA-N -1 0 261.296 3.771 20 0 CHADRM [O-]c1c(Cl)cccc1-c1ncc(C(F)(F)F)cn1 ZINC001242362644 1129795813 /nfs/dbraw/zinc/79/58/13/1129795813.db2.gz LEMZLXTVRLPWMB-UHFFFAOYSA-N -1 0 274.629 3.521 20 0 CHADRM [O-]c1c(Cl)cccc1-c1cccc(OC(F)F)n1 ZINC001242364050 1129797203 /nfs/dbraw/zinc/79/72/03/1129797203.db2.gz SLKPCPDAZSYURN-UHFFFAOYSA-N -1 0 271.650 3.709 20 0 CHADRM CC(C)Cn1cccc(-c2cccc(Cl)c2[O-])c1=O ZINC001242367166 1129798063 /nfs/dbraw/zinc/79/80/63/1129798063.db2.gz HXVFKGDDRQMUTN-UHFFFAOYSA-N -1 0 277.751 3.530 20 0 CHADRM CSc1ccc(-c2cccc(Cl)c2[O-])nc1 ZINC001242366995 1129798204 /nfs/dbraw/zinc/79/82/04/1129798204.db2.gz UWMNEWGSWHJYKZ-UHFFFAOYSA-N -1 0 251.738 3.830 20 0 CHADRM Cc1nc2ccsc2c(-c2cccc(C(=O)[O-])c2F)n1 ZINC001242377952 1129800164 /nfs/dbraw/zinc/80/01/64/1129800164.db2.gz JHQYZBHUGGBQOS-UHFFFAOYSA-N -1 0 288.303 3.504 20 0 CHADRM Cc1ccc(CCO[N-]C(=O)C(C)(C)c2ccccc2)cc1 ZINC000767934491 1129822027 /nfs/dbraw/zinc/82/20/27/1129822027.db2.gz VRVIAVHYLGYNLM-UHFFFAOYSA-N -1 0 297.398 3.563 20 0 CHADRM Cc1ccc(NC(=O)Nc2ncc(F)cc2[O-])cc1Cl ZINC001202800021 1129846730 /nfs/dbraw/zinc/84/67/30/1129846730.db2.gz FSMWHYHITYDVOP-UHFFFAOYSA-N -1 0 295.701 3.532 20 0 CHADRM C[C@@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)C(C)(C)C ZINC000769245275 1129898955 /nfs/dbraw/zinc/89/89/55/1129898955.db2.gz XITUBCMSBKWLKO-QMMMGPOBSA-N -1 0 278.377 3.737 20 0 CHADRM Cc1nc(N2CCC[C@H]2c2ccsc2)sc1C(=O)[O-] ZINC000900984977 1129906529 /nfs/dbraw/zinc/90/65/29/1129906529.db2.gz CPASAWASALXLQD-JTQLQIEISA-N -1 0 294.401 3.553 20 0 CHADRM O=C([O-])CCCc1ccccc1-c1ccc2c(c1)CCC2=O ZINC000901000325 1129906640 /nfs/dbraw/zinc/90/66/40/1129906640.db2.gz HHWRJZJEZHKZDP-UHFFFAOYSA-N -1 0 294.350 3.890 20 0 CHADRM CC[C@@H](C(=O)[O-])c1ccc(-c2ccnc(C)c2)cc1 ZINC000901008596 1129907007 /nfs/dbraw/zinc/90/70/07/1129907007.db2.gz VUUGOJSQBKKFQI-OAHLLOKOSA-N -1 0 255.317 3.635 20 0 CHADRM CC(C)(C)n1cc(-c2cccc3ccoc32)c(C(=O)[O-])n1 ZINC000901015174 1129907194 /nfs/dbraw/zinc/90/71/94/1129907194.db2.gz KCOYVEWOSPTQDE-UHFFFAOYSA-N -1 0 284.315 3.750 20 0 CHADRM CC(C)(C(=O)[O-])c1ccccc1-c1cnc(C2CC2)o1 ZINC000901050182 1129908067 /nfs/dbraw/zinc/90/80/67/1129908067.db2.gz XRAXSUHNHNVSOQ-UHFFFAOYSA-N -1 0 271.316 3.581 20 0 CHADRM Cc1cnccc1-c1ccc(C2(C(=O)[O-])CCC2)cc1 ZINC000901044409 1129908069 /nfs/dbraw/zinc/90/80/69/1129908069.db2.gz XYUWFWPWZRCPPF-UHFFFAOYSA-N -1 0 267.328 3.563 20 0 CHADRM Cc1ccncc1-c1ccc(OCCCCC(=O)[O-])cc1 ZINC000901061283 1129908579 /nfs/dbraw/zinc/90/85/79/1129908579.db2.gz ASWQLQYBQMEFRY-UHFFFAOYSA-N -1 0 285.343 3.691 20 0 CHADRM Cc1ccncc1-c1ccc(CCCCC(=O)[O-])cc1 ZINC000901062686 1129908606 /nfs/dbraw/zinc/90/86/06/1129908606.db2.gz GJOHZLZQKGPCKY-UHFFFAOYSA-N -1 0 269.344 3.854 20 0 CHADRM Cc1ccncc1-c1ccc(C2(C(=O)[O-])CCC2)cc1 ZINC000901066547 1129908674 /nfs/dbraw/zinc/90/86/74/1129908674.db2.gz YNCQRQRDJPPQQG-UHFFFAOYSA-N -1 0 267.328 3.563 20 0 CHADRM C[C@H](O)c1ccc(-c2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000901066172 1129908688 /nfs/dbraw/zinc/90/86/88/1129908688.db2.gz WRCOTGJLKJMNLK-LBPRGKRZSA-N -1 0 284.355 3.769 20 0 CHADRM Cc1sc(-c2ccc([C@H](C)O)cc2)c(C(=O)[O-])c1C ZINC000901061098 1129908698 /nfs/dbraw/zinc/90/86/98/1129908698.db2.gz ABTDCVHVBJSRCC-VIFPVBQESA-N -1 0 276.357 3.783 20 0 CHADRM CC[C@H](C(=O)[O-])c1ccc(-c2ccc([C@H](C)O)cc2)cc1 ZINC000901065519 1129908705 /nfs/dbraw/zinc/90/87/05/1129908705.db2.gz TYGMGCMDBUSLQU-SJCJKPOMSA-N -1 0 284.355 3.985 20 0 CHADRM CC(C)(C)n1cc(-c2ccc(F)c(Cl)c2)c(C(=O)[O-])n1 ZINC000901087035 1129909070 /nfs/dbraw/zinc/90/90/70/1129909070.db2.gz VFMLGRCODWTPSL-UHFFFAOYSA-N -1 0 296.729 3.796 20 0 CHADRM Cc1cccc2c1N(C(=O)c1c([O-])cccc1Cl)CC2 ZINC000769947601 1129931222 /nfs/dbraw/zinc/93/12/22/1129931222.db2.gz HSFHKGLSTMONAX-UHFFFAOYSA-N -1 0 287.746 3.557 20 0 CHADRM Cc1cnccc1CNc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000901512248 1129932572 /nfs/dbraw/zinc/93/25/72/1129932572.db2.gz GHJMACZPOHAQJC-GFCCVEGCSA-N -1 0 284.359 3.580 20 0 CHADRM O=C([O-])c1c[nH]c2cc(N[C@@H]3CCCC34CC4)ccc12 ZINC000901540526 1129935193 /nfs/dbraw/zinc/93/51/93/1129935193.db2.gz 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981852162 /nfs/dbraw/zinc/85/21/62/981852162.db2.gz JXZSLBUJJOPOGC-MSDVJASASA-N -1 0 299.370 3.560 20 0 CHADRM CCCC[C@@H](CC)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595632485 981855613 /nfs/dbraw/zinc/85/56/13/981855613.db2.gz ZSABUGMTWPAZNV-DYVFJYSZSA-N -1 0 297.439 3.743 20 0 CHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)O[C@@H](C)CC(C)C ZINC001594792416 981861816 /nfs/dbraw/zinc/86/18/16/981861816.db2.gz OKPAUKXQWPHTOS-LRDDRELGSA-N -1 0 299.411 3.523 20 0 CHADRM CCCC[C@@H](CCC)NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001595633349 981870396 /nfs/dbraw/zinc/87/03/96/981870396.db2.gz IINLHEAJPFFZJR-SNVBAGLBSA-N -1 0 298.408 3.927 20 0 CHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@H](C)CCC=C(C)C ZINC001594817757 981958391 /nfs/dbraw/zinc/95/83/91/981958391.db2.gz WNLVBRBZFCBHGJ-CJNGLKHVSA-N -1 0 283.412 3.519 20 0 CHADRM CCCC[C@H](Nc1cc(Cl)c(N)c(Cl)c1)C(=O)[O-] ZINC001595642187 981971204 /nfs/dbraw/zinc/97/12/04/981971204.db2.gz JRPRCOQJBSVGTE-JTQLQIEISA-N -1 0 291.178 3.631 20 0 CHADRM CCC(C)(CC)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001594830162 982010311 /nfs/dbraw/zinc/01/03/11/982010311.db2.gz QGZOGPJKYLKEAI-UHFFFAOYSA-N -1 0 299.754 3.509 20 0 CHADRM CCCC[C@@H](SC/C(Cl)=C\Cl)C(=O)[O-] ZINC001595654041 982038562 /nfs/dbraw/zinc/03/85/62/982038562.db2.gz AEAAMZYISDXYLU-WVXIBAHESA-N -1 0 257.182 3.682 20 0 CHADRM CCCC[C@H](SCCO[C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC001595655881 982048650 /nfs/dbraw/zinc/04/86/50/982048650.db2.gz QDAXNPITIHELOQ-RDBSUJKOSA-N -1 0 288.453 3.958 20 0 CHADRM CCCC[C@H](SCc1cccc2c1CCOC2)C(=O)[O-] ZINC001595657641 982064419 /nfs/dbraw/zinc/06/44/19/982064419.db2.gz PGEFFIPYOFGZOA-HNNXBMFYSA-N -1 0 294.416 3.636 20 0 CHADRM CCCC[C@@H](SCc1ccc(OC)cc1)C(=O)[O-] ZINC001595657718 982065799 /nfs/dbraw/zinc/06/57/99/982065799.db2.gz QTWOYKYVBWCXIH-CYBMUJFWSA-N -1 0 268.378 3.572 20 0 CHADRM CCCC[C@H](SCc1ccc2nccnc2c1)C(=O)[O-] ZINC001595657768 982066859 /nfs/dbraw/zinc/06/68/59/982066859.db2.gz RRCQMTIFWISRTA-AWEZNQCLSA-N -1 0 290.388 3.506 20 0 CHADRM CCCC[C@H](SCc1nc(C)sc1C)C(=O)[O-] ZINC001595658018 982068515 /nfs/dbraw/zinc/06/85/15/982068515.db2.gz ZCAGGGHHEJPKEZ-NSHDSACASA-N -1 0 273.423 3.637 20 0 CHADRM CCCC[C@@H](SCc1oc(CCC)nc1C)C(=O)[O-] ZINC001595658007 982068711 /nfs/dbraw/zinc/06/87/11/982068711.db2.gz YSBMASQBZDKORO-GFCCVEGCSA-N -1 0 285.409 3.812 20 0 CHADRM CCCCCC(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001595665522 982090501 /nfs/dbraw/zinc/09/05/01/982090501.db2.gz OPUPGJHKNVHPHS-UHFFFAOYSA-N -1 0 289.375 3.553 20 0 CHADRM CC/C(C)=C(\C)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001594860419 982136546 /nfs/dbraw/zinc/13/65/46/982136546.db2.gz FZBINIJEKJIXFQ-RJCSOLBVSA-N -1 0 280.320 3.637 20 0 CHADRM CC/C(C)=C(/C)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001594860417 982136623 /nfs/dbraw/zinc/13/66/23/982136623.db2.gz FZBINIJEKJIXFQ-HIJJYWJESA-N -1 0 280.320 3.637 20 0 CHADRM CC/C(C)=C(/C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594861494 982147371 /nfs/dbraw/zinc/14/73/71/982147371.db2.gz ZUGDRSSTVPZLFJ-HJWRWDBZSA-N -1 0 281.739 3.723 20 0 CHADRM CCCCC[C@H](Nc1nc(C)cc(C(=O)[O-])n1)C(C)(C)C ZINC001595686843 982177054 /nfs/dbraw/zinc/17/70/54/982177054.db2.gz IDYXIXWSKRFNGH-ZDUSSCGKSA-N -1 0 293.411 3.890 20 0 CHADRM CCCCC[C@@H](Nc1nc2ccc(F)cc2s1)C(=O)[O-] ZINC001595687307 982179589 /nfs/dbraw/zinc/17/95/89/982179589.db2.gz OZJCZLAQQPBVMW-LLVKDONJSA-N -1 0 296.367 3.881 20 0 CHADRM CC[C@@H](C)[C@@H](C(=O)[O-])N(CC1CCCCC1)OCC(C)C ZINC001594874284 982200395 /nfs/dbraw/zinc/20/03/95/982200395.db2.gz BMCFMYOWURKRQB-ZBFHGGJFSA-N -1 0 299.455 3.956 20 0 CHADRM CCCCCCC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595694632 982213287 /nfs/dbraw/zinc/21/32/87/982213287.db2.gz FMWISKQUBNYGNB-UHFFFAOYSA-N -1 0 288.347 3.775 20 0 CHADRM CC[C@H](C)[C@@H](C(=O)[O-])N1CCC(C)(C)c2ccccc21 ZINC001594877222 982217551 /nfs/dbraw/zinc/21/75/51/982217551.db2.gz OPWRTKJPEVQASY-WFASDCNBSA-N -1 0 275.392 3.674 20 0 CHADRM CCCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001595695205 982217783 /nfs/dbraw/zinc/21/77/83/982217783.db2.gz 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982541017 /nfs/dbraw/zinc/54/10/17/982541017.db2.gz LKSRJQACNMPRIA-ZWNOBZJWSA-N -1 0 298.452 3.747 20 0 CHADRM CC[C@H](C)C[C@H](NC(=O)C=C1CCC(C)(C)CC1)C(=O)[O-] ZINC001594938201 982605537 /nfs/dbraw/zinc/60/55/37/982605537.db2.gz GBRMVTCIWXMZMU-JSGCOSHPSA-N -1 0 295.423 3.519 20 0 CHADRM C/C(=C/C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000917659479 982680289 /nfs/dbraw/zinc/68/02/89/982680289.db2.gz ABTKBFLURCZZNW-LUAWRHEFSA-N -1 0 299.301 3.566 20 0 CHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CCC(C)(C)C ZINC000923088812 982715459 /nfs/dbraw/zinc/71/54/59/982715459.db2.gz AYKGPVPIOPWBEY-UHFFFAOYSA-N -1 0 269.366 3.520 20 0 CHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1occc1C(C)C ZINC000923095985 982720104 /nfs/dbraw/zinc/72/01/04/982720104.db2.gz XSQJHHCKOQCFHG-UHFFFAOYSA-N -1 0 293.344 3.723 20 0 CHADRM CC[C@@H](C)CCC(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923096541 982720978 /nfs/dbraw/zinc/72/09/78/982720978.db2.gz DXOPMYBBUNQIRC-MRVPVSSYSA-N -1 0 269.366 3.520 20 0 CHADRM CC[C@@H](C)CS[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001594967265 982726742 /nfs/dbraw/zinc/72/67/42/982726742.db2.gz NGXBBXDOMNAKHQ-MFKMUULPSA-N -1 0 268.378 3.600 20 0 CHADRM CC[C@H](C)c1ccccc1OC(=O)c1cncc(C(=O)[O-])c1 ZINC001595013399 982946603 /nfs/dbraw/zinc/94/66/03/982946603.db2.gz ICBCURIHDZAMJF-NSHDSACASA-N -1 0 299.326 3.513 20 0 CHADRM CC[C@@H](C)c1cccc(NCc2c[nH]c(C(=O)[O-])c2)c1 ZINC001595013586 982948269 /nfs/dbraw/zinc/94/82/69/982948269.db2.gz JZIPIEROUJFCBW-LLVKDONJSA-N -1 0 272.348 3.839 20 0 CHADRM CCCc1ccc(OC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001596068419 983381732 /nfs/dbraw/zinc/38/17/32/983381732.db2.gz CQMXEBZBUQRNDH-UHFFFAOYSA-N -1 0 298.338 3.865 20 0 CHADRM CCCc1nc(C)c(COc2ccc(C(=O)[O-])c(C)c2)o1 ZINC001596083109 983403853 /nfs/dbraw/zinc/40/38/53/983403853.db2.gz GPVLAPFQTINTNP-UHFFFAOYSA-N -1 0 289.331 3.521 20 0 CHADRM C/C(=C/C(=O)[O-])CSc1nc2cccc(F)c2s1 ZINC001588952125 984684281 /nfs/dbraw/zinc/68/42/81/984684281.db2.gz LCQBVUKMKYPNEI-ALCCZGGFSA-N -1 0 283.349 3.558 20 0 CHADRM C/C(=C/C(=O)[O-])CSc1nc(-c2ccccc2)c(C)[nH]1 ZINC001588952761 984688725 /nfs/dbraw/zinc/68/87/25/984688725.db2.gz SSWJMWLGXUPVBW-NTMALXAHSA-N -1 0 288.372 3.508 20 0 CHADRM C[C@H]1Cc2ccccc2N(Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001594622573 986668219 /nfs/dbraw/zinc/66/82/19/986668219.db2.gz LSBCPNCIPIDTOC-XEHSLEBBSA-N -1 0 297.354 3.576 20 0 CHADRM CC(C)[C@@H]1CC[C@H]1Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001589532684 987217452 /nfs/dbraw/zinc/21/74/52/987217452.db2.gz UCZUORMIESTBAR-TUKIKUTGSA-N -1 0 261.365 3.721 20 0 CHADRM C[C@H](C(=O)[O-])c1cccc(N[C@@H]2C[C@@H]3CC[C@@H](C3)C2)c1 ZINC001589533027 987221603 /nfs/dbraw/zinc/22/16/03/987221603.db2.gz YMSQPJHQUNCYMJ-JFILPPLUSA-N -1 0 273.376 3.865 20 0 CHADRM CC[C@@H](C(=O)NC(CC)(CC)C(=O)[O-])C1CCC(C)CC1 ZINC001594729602 987244705 /nfs/dbraw/zinc/24/47/05/987244705.db2.gz VDSLAXJXFVDPKA-JXQTWKCFSA-N -1 0 297.439 3.599 20 0 CHADRM C[C@H]([C@H](C)C(=O)Oc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC001589554290 987300551 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CC(C)(C)[C@H](SC1=Nc2ccccc2C1)C(=O)[O-] ZINC001589722442 987890363 /nfs/dbraw/zinc/89/03/63/987890363.db2.gz GWERLSZLLXFFTR-GFCCVEGCSA-N -1 0 263.362 3.505 20 0 CHADRM CC(C)(C)[C@@H]1CCC[C@H](Nc2nccc(C(=O)[O-])n2)CC1 ZINC001589727718 987923651 /nfs/dbraw/zinc/92/36/51/987923651.db2.gz ANRQGOQXIVAIFV-NEPJUHHUSA-N -1 0 291.395 3.582 20 0 CHADRM CC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001589740761 988010503 /nfs/dbraw/zinc/01/05/03/988010503.db2.gz GMPPUCQOKJRGQV-INIZCTEOSA-N -1 0 299.370 3.518 20 0 CHADRM CC(C)(C)C[C@@H](NC(=O)CC1CCC(C)(C)CC1)C(=O)[O-] ZINC001589743410 988026900 /nfs/dbraw/zinc/02/69/00/988026900.db2.gz MWEQNMMBFBKNAA-CYBMUJFWSA-N -1 0 297.439 3.599 20 0 CHADRM CC(C)(C)C[C@@H](NC(=O)C[C@@H]1CCCCC1(C)C)C(=O)[O-] ZINC001589743790 988031735 /nfs/dbraw/zinc/03/17/35/988031735.db2.gz XDYXQVMFAUJJCQ-QWHCGFSZSA-N -1 0 297.439 3.599 20 0 CHADRM CC(C)(C)C[C@H](Sc1nc2ncccc2s1)C(=O)[O-] ZINC001589761512 988088335 /nfs/dbraw/zinc/08/83/35/988088335.db2.gz 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274.291 3.549 20 0 CHADRM O=C(Nc1ccccc1[S-])[C@H]1CC12CCCCC2 ZINC001181907375 1122094901 /nfs/dbraw/zinc/09/49/01/1122094901.db2.gz CIIRSZKYFXBXTL-LLVKDONJSA-N -1 0 261.390 3.884 20 0 CHADRM O=C(Nc1ccccc1[S-])[C@@H]1C[C@H]1c1ccccc1F ZINC001182289189 1122131764 /nfs/dbraw/zinc/13/17/64/1122131764.db2.gz VNAHVFHVNDYVLY-NWDGAFQWSA-N -1 0 287.359 3.857 20 0 CHADRM CC[C@H](C)c1ccccc1OCC(=O)[N-]Oc1ccccc1 ZINC000774275531 1122148504 /nfs/dbraw/zinc/14/85/04/1122148504.db2.gz MKLODQHBWXREIV-AWEZNQCLSA-N -1 0 299.370 3.689 20 0 CHADRM C[C@@H](NC(=O)Nc1ccc([S-])cc1)c1ccccc1 ZINC001185023060 1122308089 /nfs/dbraw/zinc/30/80/89/1122308089.db2.gz CHDJFODLXODTHI-LLVKDONJSA-N -1 0 272.373 3.858 20 0 CHADRM O=C(Nc1cccnc1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001185686492 1122353846 /nfs/dbraw/zinc/35/38/46/1122353846.db2.gz XVNXVZKGLDLHFO-UHFFFAOYSA-N -1 0 298.129 3.738 20 0 CHADRM O=C(Nc1csc2cnccc12)c1cccc([S-])c1 ZINC001186130408 1122375794 /nfs/dbraw/zinc/37/57/94/1122375794.db2.gz SAUMCXNVCNSOGJ-UHFFFAOYSA-N -1 0 286.381 3.837 20 0 CHADRM CN(CC/C=C/c1cccnc1)C(=O)c1cccc([S-])c1 ZINC001186148704 1122377133 /nfs/dbraw/zinc/37/71/33/1122377133.db2.gz IQURFFDURAJIRQ-QHHAFSJGSA-N -1 0 298.411 3.546 20 0 CHADRM CCOc1ccc(C)cc1NC(=O)c1cccc([S-])c1 ZINC001186152128 1122377354 /nfs/dbraw/zinc/37/73/54/1122377354.db2.gz BVMKZPGEOGUFIS-UHFFFAOYSA-N -1 0 287.384 3.935 20 0 CHADRM COc1cc(C)c(NC(=O)c2cccc([S-])c2)cc1C ZINC001186155446 1122378297 /nfs/dbraw/zinc/37/82/97/1122378297.db2.gz DUYMKXXREBBRKN-UHFFFAOYSA-N -1 0 287.384 3.853 20 0 CHADRM Cc1ccc(Cc2cc(F)c(F)c(F)c2)cc1C(=O)[O-] ZINC001250234883 1122381983 /nfs/dbraw/zinc/38/19/83/1122381983.db2.gz KQCVNOMZJXPJGR-UHFFFAOYSA-N -1 0 280.245 3.701 20 0 CHADRM C[C@@H](NC(=O)Nc1cc([O-])c(F)c(F)c1)C1CCCCC1 ZINC001186343108 1122387149 /nfs/dbraw/zinc/38/71/49/1122387149.db2.gz NWUJMMDYCVSNRN-SECBINFHSA-N -1 0 298.333 3.761 20 0 CHADRM C[C@H](NC(=O)Nc1cc([O-])c(F)c(F)c1)C1CCCCC1 ZINC001186394944 1122389626 /nfs/dbraw/zinc/38/96/26/1122389626.db2.gz NWUJMMDYCVSNRN-VIFPVBQESA-N -1 0 298.333 3.761 20 0 CHADRM C=Cc1ccc(C(=O)Nc2ccccc2[S-])cc1 ZINC001186513130 1122395277 /nfs/dbraw/zinc/39/52/77/1122395277.db2.gz YYLZUMTXVXPERU-UHFFFAOYSA-N -1 0 255.342 3.871 20 0 CHADRM Cc1ccc(NC(=O)Nc2cc([O-])c(F)c(F)c2)cc1F ZINC001187989853 1122450021 /nfs/dbraw/zinc/45/00/21/1122450021.db2.gz SEZODHPSGUHJGW-UHFFFAOYSA-N -1 0 296.248 3.762 20 0 CHADRM O=C([O-])c1cc(Cl)c(CCCCF)c(Cl)c1 ZINC001250263952 1122452290 /nfs/dbraw/zinc/45/22/90/1122452290.db2.gz HRESVLBNESHHIY-UHFFFAOYSA-N -1 0 265.111 3.984 20 0 CHADRM Cc1ccc(C(C)C)cc1[N-]S(=O)(=O)c1ccoc1 ZINC001188615284 1122468536 /nfs/dbraw/zinc/46/85/36/1122468536.db2.gz MCZILRKZSMTBDD-UHFFFAOYSA-N -1 0 279.361 3.512 20 0 CHADRM O=C(c1ccc([O-])c(C(F)(F)F)c1)N1CCC12CCCC2 ZINC001188572952 1122468836 /nfs/dbraw/zinc/46/88/36/1122468836.db2.gz XMTVIEXRXZKYBE-UHFFFAOYSA-N -1 0 299.292 3.570 20 0 CHADRM Cc1cccc(C(C)(C)C)c1[N-]S(=O)(=O)c1ccoc1 ZINC001188614157 1122468841 /nfs/dbraw/zinc/46/88/41/1122468841.db2.gz KOOPVVRDPMJXBR-UHFFFAOYSA-N -1 0 293.388 3.686 20 0 CHADRM CC[C@@H](N=c1nc(C2CCCC2)[n-]s1)c1nccs1 ZINC000515230190 1122484152 /nfs/dbraw/zinc/48/41/52/1122484152.db2.gz TXWAEAQUMKMKOI-SNVBAGLBSA-N -1 0 294.449 3.637 20 0 CHADRM Cc1cccc(C)c1C(=O)Nc1ccccc1[S-] ZINC001189058156 1122487390 /nfs/dbraw/zinc/48/73/90/1122487390.db2.gz QPRZCAQHKIKOGX-UHFFFAOYSA-N -1 0 257.358 3.844 20 0 CHADRM CC1(C2CC2)CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000436612745 1122565541 /nfs/dbraw/zinc/56/55/41/1122565541.db2.gz YVDYQEKXLSSIGD-UHFFFAOYSA-N -1 0 293.794 3.698 20 0 CHADRM Cc1cccc(CNC(=O)Nc2cccc(Cl)c2[O-])c1 ZINC001190995057 1122566382 /nfs/dbraw/zinc/56/63/82/1122566382.db2.gz RHZINUKUGHKUDB-UHFFFAOYSA-N -1 0 290.750 3.676 20 0 CHADRM CCC1(C)CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000436654883 1122567839 /nfs/dbraw/zinc/56/78/39/1122567839.db2.gz JTTYJJYEQAEPPH-UHFFFAOYSA-N -1 0 288.174 3.571 20 0 CHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCC2CCC2)c1 ZINC000436649512 1122568415 /nfs/dbraw/zinc/56/84/15/1122568415.db2.gz WWULIGZHKFFPII-UHFFFAOYSA-N -1 0 275.348 3.504 20 0 CHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC(C2CCCCC2)C1 ZINC000436727587 1122577515 /nfs/dbraw/zinc/57/75/15/1122577515.db2.gz AFINUTBHWYAGOY-UHFFFAOYSA-N -1 0 293.794 3.698 20 0 CHADRM Cc1sc(/C=C/c2ccc(O)c(Cl)c2)nc1C(=O)[O-] ZINC000436786751 1122583571 /nfs/dbraw/zinc/58/35/71/1122583571.db2.gz ZACKVPSFROGXIB-HWKANZROSA-N -1 0 295.747 3.679 20 0 CHADRM CN(C(=O)c1c([O-])cc(Cl)cc1Cl)[C@H]1CC1(C)C ZINC000436814319 1122585968 /nfs/dbraw/zinc/58/59/68/1122585968.db2.gz KIKXEEWGPQDZLP-JTQLQIEISA-N -1 0 288.174 3.570 20 0 CHADRM O=C(c1ccc(F)cc1[O-])N1CCC[C@@H](c2ccccc2)C1 ZINC000436854514 1122586619 /nfs/dbraw/zinc/58/66/19/1122586619.db2.gz SPSNDCYPPLBPGN-CQSZACIVSA-N -1 0 299.345 3.551 20 0 CHADRM C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])CC(C)(C)C1 ZINC000436849196 1122588426 /nfs/dbraw/zinc/58/84/26/1122588426.db2.gz YIBYXEXSMANZCF-VIFPVBQESA-N -1 0 299.773 3.693 20 0 CHADRM C[C@@H]1CC[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C[C@H]1C ZINC000436893774 1122589766 /nfs/dbraw/zinc/58/97/66/1122589766.db2.gz BJORMRXXANQDLO-FXPVBKGRSA-N -1 0 299.773 3.739 20 0 CHADRM CCc1ccc(-c2nc(-c3ccc(Cl)o3)no2)c(O)c1 ZINC000436881184 1122591369 /nfs/dbraw/zinc/59/13/69/1122591369.db2.gz WCTXHZWGVFBGDD-UHFFFAOYSA-N -1 0 290.706 3.918 20 0 CHADRM CC(C)(C)[C@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000436897001 1122593469 /nfs/dbraw/zinc/59/34/69/1122593469.db2.gz PKPFILKFPINRGA-JTQLQIEISA-N -1 0 299.773 3.693 20 0 CHADRM Cc1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])c(F)c1 ZINC000436923494 1122595571 /nfs/dbraw/zinc/59/55/71/1122595571.db2.gz TWWNAUAMMOGYMS-UHFFFAOYSA-N -1 0 297.688 3.885 20 0 CHADRM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000436936470 1122596586 /nfs/dbraw/zinc/59/65/86/1122596586.db2.gz YULDWSOLXWIWFW-NXEZZACHSA-N -1 0 299.773 3.741 20 0 CHADRM CC(C)c1ccc(C(=O)N2CCCC[C@@H](C)C2)c(O)c1 ZINC000436953426 1122599239 /nfs/dbraw/zinc/59/92/39/1122599239.db2.gz PGVTYMROLLMGGT-CYBMUJFWSA-N -1 0 275.392 3.778 20 0 CHADRM Cc1ccc(C(=O)N(C)C2CCC(C(C)C)CC2)c(O)c1 ZINC000436951961 1122599361 /nfs/dbraw/zinc/59/93/61/1122599361.db2.gz HPRAPLZBLBZAQC-UHFFFAOYSA-N -1 0 289.419 3.987 20 0 CHADRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000436997453 1122601011 /nfs/dbraw/zinc/60/10/11/1122601011.db2.gz MVTXWHSYVUHQEA-UTLUCORTSA-N -1 0 299.773 3.691 20 0 CHADRM C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436985230 1122602870 /nfs/dbraw/zinc/60/28/70/1122602870.db2.gz DPGNSKWFTDDLTO-UWVGGRQHSA-N -1 0 281.783 3.600 20 0 CHADRM CCNc1cc(C)ccc1NC(=O)c1cccc(C)c1O ZINC000436998532 1122603854 /nfs/dbraw/zinc/60/38/54/1122603854.db2.gz KHPZVPWFAPHUJS-UHFFFAOYSA-N -1 0 284.359 3.693 20 0 CHADRM [O-]c1c(F)c(F)c(O[C@H]2CC3CCC2CC3)c(F)c1F ZINC001225878816 1122614732 /nfs/dbraw/zinc/61/47/32/1122614732.db2.gz GOOQLOLQVCUKDC-RRQHEKLDSA-N -1 0 290.256 3.906 20 0 CHADRM CCc1cc(OC)ccc1-c1ccsc1C(=O)[O-] ZINC001205572065 1122617553 /nfs/dbraw/zinc/61/75/53/1122617553.db2.gz CANBMPYWELBFCH-UHFFFAOYSA-N -1 0 262.330 3.684 20 0 CHADRM CCCC[C@H](C)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000506000668 1122623001 /nfs/dbraw/zinc/62/30/01/1122623001.db2.gz BFIRWEFDDCDMDS-QMMMGPOBSA-N -1 0 273.735 3.950 20 0 CHADRM Cc1c(F)cc(C(=O)[O-])cc1-c1ccc(C(F)(F)F)cn1 ZINC001250449348 1122628121 /nfs/dbraw/zinc/62/81/21/1122628121.db2.gz MTHMDVUTYSXGGF-UHFFFAOYSA-N -1 0 299.223 3.913 20 0 CHADRM O=C([O-])c1ccc2nc(/C=C\c3ccccc3)oc2c1 ZINC000437471039 1122636270 /nfs/dbraw/zinc/63/62/70/1122636270.db2.gz HMVZCOJHUQMXBQ-TWGQIWQCSA-N -1 0 265.268 3.696 20 0 CHADRM O=C([O-])c1ccc(Nc2ccc(O)c(Cl)c2)c(F)c1 ZINC001203292863 1122642802 /nfs/dbraw/zinc/64/28/02/1122642802.db2.gz XWLPAETZKANHKD-UHFFFAOYSA-N -1 0 281.670 3.627 20 0 CHADRM O=C(NC1=CC=C[CH]1)Nc1ccc2sccc2c1 ZINC001192468712 1122645431 /nfs/dbraw/zinc/64/54/31/1122645431.db2.gz SYUYMOUYDZZXME-UHFFFAOYSA-N -1 0 255.322 3.681 20 0 CHADRM Cc1cccc(F)c1Nc1ccc(C(=O)[O-])cc1F ZINC001203293197 1122645699 /nfs/dbraw/zinc/64/56/99/1122645699.db2.gz WIJBXYXTCNSJCD-UHFFFAOYSA-N -1 0 263.243 3.715 20 0 CHADRM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccco1 ZINC000437659350 1122648581 /nfs/dbraw/zinc/64/85/81/1122648581.db2.gz BNLFFWBLRXCNLE-UHFFFAOYSA-N -1 0 297.401 3.581 20 0 CHADRM CCC1(NC(=O)c2c([O-])ccc(F)c2F)CCCCC1 ZINC001192785024 1122658802 /nfs/dbraw/zinc/65/88/02/1122658802.db2.gz AATNEQXITLLCOC-UHFFFAOYSA-N -1 0 283.318 3.513 20 0 CHADRM CC(C)CCC[C@@H](C)NC(=O)c1cc(F)c([O-])cc1F ZINC001192877531 1122660025 /nfs/dbraw/zinc/66/00/25/1122660025.db2.gz RYIPWAKVHOFVCL-SNVBAGLBSA-N -1 0 285.334 3.615 20 0 CHADRM CCC1(NC(=O)c2ccc([O-])c(F)c2F)CCCCC1 ZINC001192843299 1122660256 /nfs/dbraw/zinc/66/02/56/1122660256.db2.gz UXCVCFCIRFGWNR-UHFFFAOYSA-N -1 0 283.318 3.513 20 0 CHADRM COc1cc(NC(=O)OC2CCCCC2)ccc1[S-] ZINC001193634128 1122702828 /nfs/dbraw/zinc/70/28/28/1122702828.db2.gz DUUYQKQRKHXSMJ-UHFFFAOYSA-N -1 0 281.377 3.865 20 0 CHADRM CC(C)COC(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001193835874 1122723626 /nfs/dbraw/zinc/72/36/26/1122723626.db2.gz AQNGEUYVYMWQPQ-UHFFFAOYSA-N -1 0 278.135 3.904 20 0 CHADRM O=C([O-])c1cccc2oc(/C=C/c3cccs3)nc21 ZINC000439279545 1122767238 /nfs/dbraw/zinc/76/72/38/1122767238.db2.gz UDIRPTWEVWILRZ-VOTSOKGWSA-N -1 0 271.297 3.758 20 0 CHADRM COc1cccc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)c1 ZINC000439281447 1122768582 /nfs/dbraw/zinc/76/85/82/1122768582.db2.gz UQJDAIONTXTXRT-VMPITWQZSA-N -1 0 295.294 3.705 20 0 CHADRM CCC(CC)COC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC001194683367 1122790877 /nfs/dbraw/zinc/79/08/77/1122790877.db2.gz AQHHVPNARSRXSH-UHFFFAOYSA-N -1 0 285.413 3.820 20 0 CHADRM CCC(CC)COC(=O)Nc1c([O-])cc(F)cc1F ZINC001194707356 1122795535 /nfs/dbraw/zinc/79/55/35/1122795535.db2.gz TVLQIBQNKXPSTN-UHFFFAOYSA-N -1 0 273.279 3.655 20 0 CHADRM C[C@@H](Cc1ccccc1)OCc1ccc(C(=O)[O-])cc1 ZINC001205681182 1122819283 /nfs/dbraw/zinc/81/92/83/1122819283.db2.gz SSQXXESMVIHBSA-ZDUSSCGKSA-N -1 0 270.328 3.533 20 0 CHADRM C[Si](C)(C)CCS(=O)(=O)[N-]c1cccc2ccoc21 ZINC001195081954 1122841367 /nfs/dbraw/zinc/84/13/67/1122841367.db2.gz XSHKXPXIQOCDSW-UHFFFAOYSA-N -1 0 297.452 3.513 20 0 CHADRM Cc1cc(Nc2ccc(C(=O)[O-])cc2F)cc(F)c1F ZINC001203299545 1122841569 /nfs/dbraw/zinc/84/15/69/1122841569.db2.gz PPAXDYMHWFVOLG-UHFFFAOYSA-N -1 0 281.233 3.854 20 0 CHADRM CC[C@@H](C)OC(=O)Nc1ccc(Cl)cc1[S-] ZINC001195121642 1122845271 /nfs/dbraw/zinc/84/52/71/1122845271.db2.gz JJOLVLKOYKCKGS-SSDOTTSWSA-N -1 0 259.758 3.976 20 0 CHADRM Cc1ccc(F)c(-c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC001250628569 1122856620 /nfs/dbraw/zinc/85/66/20/1122856620.db2.gz VWBHQUVNRRRVSK-UHFFFAOYSA-N -1 0 266.218 3.778 20 0 CHADRM COc1cccc(NC(=S)Nc2ccc([S-])cc2)c1 ZINC001196049379 1122904435 /nfs/dbraw/zinc/90/44/35/1122904435.db2.gz LBSFDBTTZUQSRN-UHFFFAOYSA-N -1 0 290.413 3.793 20 0 CHADRM Cc1cccc(N(C)C(=O)c2cccc(Cl)c2[O-])c1 ZINC000775696008 1122912384 /nfs/dbraw/zinc/91/23/84/1122912384.db2.gz GAXLGBBLUAQOKI-UHFFFAOYSA-N -1 0 275.735 3.631 20 0 CHADRM Fc1ccc(NC(=S)Nc2ccccc2[S-])cc1 ZINC001196940096 1122940206 /nfs/dbraw/zinc/94/02/06/1122940206.db2.gz QQOKRKVXOQJDFS-UHFFFAOYSA-N -1 0 278.377 3.923 20 0 CHADRM CCCN(C(=S)Nc1ccc(C(=O)[O-])cc1)[C@@H](C)CC ZINC001197074898 1122944179 /nfs/dbraw/zinc/94/41/79/1122944179.db2.gz BSKCGOMVPKBKRM-NSHDSACASA-N -1 0 294.420 3.592 20 0 CHADRM Cc1csc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197077659 1122944690 /nfs/dbraw/zinc/94/46/90/1122944690.db2.gz WMNLYIRWCRNILX-UHFFFAOYSA-N -1 0 292.385 3.564 20 0 CHADRM CCCC(CCC)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197127268 1122946316 /nfs/dbraw/zinc/94/63/16/1122946316.db2.gz PMLMEKCAGMQLBL-UHFFFAOYSA-N -1 0 294.420 3.640 20 0 CHADRM C[C@H]1CC[C@H](C(=O)Nc2cc(F)cc(Cl)c2[O-])C1 ZINC000353894104 1122952061 /nfs/dbraw/zinc/95/20/61/1122952061.db2.gz MEWJLSHBOVOJHN-YUMQZZPRSA-N -1 0 271.719 3.559 20 0 CHADRM Cc1cscc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775781997 1122966654 /nfs/dbraw/zinc/96/66/54/1122966654.db2.gz QROOEFBUZZPGSV-UHFFFAOYSA-N -1 0 267.737 3.668 20 0 CHADRM 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295.382 3.698 20 0 CHADRM Cc1ccc(CN2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000134199730 600961102 /nfs/dbraw/zinc/96/11/02/600961102.db2.gz MNXOUAJRVIKCMT-HNNXBMFYSA-N -1 0 281.355 3.574 20 0 CHADRM CCC(C)(C)CCOC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828609082 600964340 /nfs/dbraw/zinc/96/43/40/600964340.db2.gz LWTXCPWXBYJHBY-UHFFFAOYSA-N -1 0 279.336 3.760 20 0 CHADRM CCSCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000830169081 600968745 /nfs/dbraw/zinc/96/87/45/600968745.db2.gz NRXVQMJYMKNVRC-UHFFFAOYSA-N -1 0 279.386 3.761 20 0 CHADRM O=C([O-])c1ccc(/C=C/c2cc3cc(F)ccc3o2)nc1 ZINC000740123266 600982630 /nfs/dbraw/zinc/98/26/30/600982630.db2.gz KAINMGZTSBGJJX-SNAWJCMRSA-N -1 0 283.258 3.836 20 0 CHADRM C[C@H](Sc1nnc(C2CC2)s1)c1ccc(C(=O)[O-])o1 ZINC000827920970 600988393 /nfs/dbraw/zinc/98/83/93/600988393.db2.gz AGFPLWJXNFWPTF-LURJTMIESA-N -1 0 296.373 3.560 20 0 CHADRM CCCCCCC(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736985607 601027603 /nfs/dbraw/zinc/02/76/03/601027603.db2.gz XBMCUSWMBHCXHB-UHFFFAOYSA-N -1 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