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(NN=Cc1ccc2ccccc2c1)c1cccc(-c2nn[nH]n2)c1 ZINC000738128483 945194389 /nfs/dbraw/zinc/19/43/89/945194389.db2.gz CYWHKOYUBQBSIN-UHFFFAOYSA-N -1 0 342.362 2.784 20 50 EFGDRM O=C(NN=C(Cc1ccccc1)C1CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738129951 945204616 /nfs/dbraw/zinc/20/46/16/945204616.db2.gz YYMVZYQJNWHDSH-UHFFFAOYSA-N -1 0 346.394 2.605 20 50 EFGDRM Cc1cc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)ccc1C(=O)[O-] ZINC001600266704 970787601 /nfs/dbraw/zinc/78/76/01/970787601.db2.gz HBXSDOFWOLQXSS-SMDDNHRTSA-N -1 0 341.205 2.988 20 50 EFGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1 ZINC001601559232 971015265 /nfs/dbraw/zinc/01/52/65/971015265.db2.gz OMZKCNOUNOCJNH-DTWKUNHWSA-N -1 0 332.278 2.529 20 50 EFGDRM CC[C@@H](Cc1cccc(C)c1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589561386 948814126 /nfs/dbraw/zinc/81/41/26/948814126.db2.gz SUPXCNAWKAVCML-AWEZNQCLSA-N -1 0 327.384 2.800 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNc2cc(Cl)ccc2Cl)nc1 ZINC001595220877 949242801 /nfs/dbraw/zinc/24/28/01/949242801.db2.gz MSVGXXYDUNVSBS-UHFFFAOYSA-N -1 0 326.139 2.844 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNc2ccnc(C(F)(F)F)c2)cc1 ZINC001595220865 949242949 /nfs/dbraw/zinc/24/29/49/949242949.db2.gz LTUDKLUFWAWDNN-UHFFFAOYSA-N -1 0 325.246 2.556 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001595261831 949674472 /nfs/dbraw/zinc/67/44/72/949674472.db2.gz JWYLAHMODRBKNI-LSDHHAIUSA-N -1 0 339.395 2.882 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001595261757 949675509 /nfs/dbraw/zinc/67/55/09/949675509.db2.gz JANDAICVJXURBX-QWHCGFSZSA-N -1 0 331.759 2.680 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001595262039 949679831 /nfs/dbraw/zinc/67/98/31/949679831.db2.gz ORCOEZBWECFANR-OLZOCXBDSA-N -1 0 329.331 2.556 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001595262297 949685233 /nfs/dbraw/zinc/68/52/33/949685233.db2.gz XRSOSNCJZBUJGG-UHFFFAOYSA-N -1 0 341.701 2.668 20 50 EFGDRM CCCN(NC(=O)c1coc(/C=C\C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC001589673247 949952085 /nfs/dbraw/zinc/95/20/85/949952085.db2.gz CBQZXROWHNVEJF-SREVYHEPSA-N -1 0 338.360 2.669 20 50 EFGDRM CCCOc1cc(F)ccc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001589679898 950031589 /nfs/dbraw/zinc/03/15/89/950031589.db2.gz BFKAWCXEFZIRNP-UHFFFAOYSA-N -1 0 348.334 2.856 20 50 EFGDRM CCOC(=O)c1ccc(NNC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1C ZINC001591176611 951089582 /nfs/dbraw/zinc/08/95/82/951089582.db2.gz VCKWTKFRWJMVJB-HNNXBMFYSA-N -1 0 348.399 2.506 20 50 EFGDRM O=C([O-])CCCC(=O)NNc1ccc(Br)cc1Cl ZINC001595027852 951357089 /nfs/dbraw/zinc/35/70/89/951357089.db2.gz SBFRDRRGECJKBD-UHFFFAOYSA-N -1 0 335.585 2.801 20 50 EFGDRM O=C([O-])CCCC=NNC(=O)Cc1nc(-c2ccccc2)cs1 ZINC001595031152 951368410 /nfs/dbraw/zinc/36/84/10/951368410.db2.gz DAFJKJNWTLDQQN-UHFFFAOYSA-N -1 0 331.397 2.710 20 50 EFGDRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)c1cccc(CCl)c1)O2 ZINC001594749278 953406409 /nfs/dbraw/zinc/40/64/09/953406409.db2.gz GTAHZPFGIXTDRO-XOYHFGRZSA-N -1 0 337.803 2.568 20 50 EFGDRM O=C([O-])c1ccccc1NC(=O)NNc1cc(F)cc(F)c1F ZINC001594780119 953621871 /nfs/dbraw/zinc/62/18/71/953621871.db2.gz JFDIHXFDASVTFX-UHFFFAOYSA-N -1 0 325.246 2.951 20 50 EFGDRM O=C([O-])c1cccc(NC(=O)NN=c2[nH]ccnc2C2CCC2)c1 ZINC001594781421 953631334 /nfs/dbraw/zinc/63/13/34/953631334.db2.gz ODAXJNRKLPUSCL-UHFFFAOYSA-N -1 0 327.344 2.591 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Nc1c(F)cc(Cl)cc1F ZINC001594781818 953636663 /nfs/dbraw/zinc/63/66/63/953636663.db2.gz IVHBKXVXMSLCSF-UHFFFAOYSA-N -1 0 342.689 2.860 20 50 EFGDRM O=C([O-])c1ncccc1NC(=O)NNc1ncc(Cl)cc1Cl ZINC001594781788 953637326 /nfs/dbraw/zinc/63/73/26/953637326.db2.gz HKGXBDNSJAQFBW-UHFFFAOYSA-N -1 0 342.142 2.630 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(SC2CC2)cc1 ZINC001594781900 953638208 /nfs/dbraw/zinc/63/82/08/953638208.db2.gz XFPCQOQHQDYUBD-UHFFFAOYSA-N -1 0 329.381 2.791 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Nc1nsc2ccccc21 ZINC001594781882 953638215 /nfs/dbraw/zinc/63/82/15/953638215.db2.gz WHVWYMWYMNSDTH-UHFFFAOYSA-N -1 0 329.341 2.538 20 50 EFGDRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001593642398 953658745 /nfs/dbraw/zinc/65/87/45/953658745.db2.gz LEDFPWHWYYSVDR-LSDHHAIUSA-N -1 0 325.368 2.589 20 50 EFGDRM O=C([O-])[C@@H](C(=O)NN=c1[nH]c2ccc(Cl)cc2s1)C1CC1 ZINC001594835670 954024680 /nfs/dbraw/zinc/02/46/80/954024680.db2.gz KFFIHXSZOHZAPT-SNVBAGLBSA-N -1 0 325.777 2.504 20 50 EFGDRM O=C([O-])[C@H](C(=O)NN=c1[nH]cc(Cl)cc1Cl)C1CCCC1 ZINC001594835854 954025323 /nfs/dbraw/zinc/02/53/23/954025323.db2.gz MGCIHHXMWODNBV-JTQLQIEISA-N -1 0 332.187 2.723 20 50 EFGDRM O=C([O-])[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC001594835995 954026460 /nfs/dbraw/zinc/02/64/60/954026460.db2.gz NXVNLSRRPDNRME-LBPRGKRZSA-N -1 0 341.751 2.582 20 50 EFGDRM CN(C)c1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1Cl ZINC001593711345 954190376 /nfs/dbraw/zinc/19/03/76/954190376.db2.gz VZYWUWBNKYXRGH-UHFFFAOYSA-N -1 0 349.778 2.648 20 50 EFGDRM CC[C@@H](C)Oc1cccc(NC(=O)NNc2ncccc2C(=O)[O-])n1 ZINC001589465151 954897908 /nfs/dbraw/zinc/89/79/08/954897908.db2.gz XQJGWQKGQFPGRJ-SNVBAGLBSA-N -1 0 345.359 2.501 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)[O-])c(C)n1CCC(C)C ZINC000738231565 955235654 /nfs/dbraw/zinc/23/56/54/955235654.db2.gz TXOLHNORXASOQV-WFSQQTBHSA-N -1 0 331.416 2.647 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)NC[C@H](C)C(=O)[O-])c(C)n1CC(C)C ZINC000738378235 955239618 /nfs/dbraw/zinc/23/96/18/955239618.db2.gz CNSUXGHNVPCQAM-QFULYMJESA-N -1 0 331.416 2.505 20 50 EFGDRM O=C([O-])Cn1cc(NC(=O)CCCC[C@@H]2CCSS2)cn1 ZINC000739899490 955256293 /nfs/dbraw/zinc/25/62/93/955256293.db2.gz OXDUOQYHLOUAQU-LLVKDONJSA-N -1 0 329.447 2.620 20 50 EFGDRM CCCOc1ccc(C(=O)NN=C2CCC(C(=O)[O-])CC2)cc1OC ZINC000814755723 955359352 /nfs/dbraw/zinc/35/93/52/955359352.db2.gz TYJPNCXFUANEFQ-UHFFFAOYSA-N -1 0 348.399 2.845 20 50 EFGDRM COc1cc(C(=O)NN=C2CCC(C(=O)[O-])CC2)ccc1OC(C)C ZINC000814755933 955360169 /nfs/dbraw/zinc/36/01/69/955360169.db2.gz LHAOEXPAYWXJRH-UHFFFAOYSA-N -1 0 348.399 2.843 20 50 EFGDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1 ZINC000817872855 955377761 /nfs/dbraw/zinc/37/77/61/955377761.db2.gz QSDDMZUVXOGCMH-NVGYGPBWSA-N -1 0 344.249 2.509 20 50 EFGDRM CCC(CC)(CNC(=O)NNc1c(F)cccc1Cl)C(=O)[O-] ZINC000818627437 955418438 /nfs/dbraw/zinc/41/84/38/955418438.db2.gz JMPZYKGDEOWBFO-UHFFFAOYSA-N -1 0 331.775 2.996 20 50 EFGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000819029897 955429106 /nfs/dbraw/zinc/42/91/06/955429106.db2.gz LLGPAWBFKRLYPF-UHFFFAOYSA-N -1 0 335.791 2.618 20 50 EFGDRM COC(=O)c1ccc(NNC(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000820684652 955476703 /nfs/dbraw/zinc/47/67/03/955476703.db2.gz AGEACUCCLWWCSG-UHFFFAOYSA-N -1 0 348.742 2.582 20 50 EFGDRM O=C([O-])c1cccc(C(=O)NNc2ccccc2Br)c1 ZINC000821549907 955519471 /nfs/dbraw/zinc/51/94/71/955519471.db2.gz VIMOAKKTOOQWBN-UHFFFAOYSA-N -1 0 335.157 2.904 20 50 EFGDRM C[C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001589076260 955815586 /nfs/dbraw/zinc/81/55/86/955815586.db2.gz IIVDOGKEQNOLBZ-SNVBAGLBSA-N -1 0 340.452 2.742 20 50 EFGDRM Cn1nc(C(=O)[O-])cc1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F ZINC001594568358 955856728 /nfs/dbraw/zinc/85/67/28/955856728.db2.gz MTQVXEHLHYVTJT-YWEYNIOJSA-N -1 0 333.706 2.701 20 50 EFGDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NNc1cc(Br)ccc1F ZINC001589218991 956750938 /nfs/dbraw/zinc/75/09/38/956750938.db2.gz FWKJKIKKXFIUHU-CYBMUJFWSA-N -1 0 345.168 2.532 20 50 EFGDRM C[C@]1(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@H]1Br ZINC001589247204 956939311 /nfs/dbraw/zinc/93/93/11/956939311.db2.gz QUGAWYLINWNHBA-ZWNOBZJWSA-N -1 0 345.168 2.819 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(C)n1CC(C)C ZINC001594300422 957901385 /nfs/dbraw/zinc/90/13/85/957901385.db2.gz JMOHXVYVLJFYLN-MUHIEKAASA-N -1 0 343.427 2.647 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(Cl)nc2ccccc21 ZINC001574820588 957908527 /nfs/dbraw/zinc/90/85/27/957908527.db2.gz SNHKBIHQIMVVGH-UHFFFAOYSA-N -1 0 342.742 2.738 20 50 EFGDRM Cc1cc(NC(=O)NNC(=O)c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001594323378 958141145 /nfs/dbraw/zinc/14/11/45/958141145.db2.gz WWEASYQGIRCVOG-UHFFFAOYSA-N -1 0 347.758 2.813 20 50 EFGDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H](Br)C(C)(C)C)C1 ZINC001523010831 958239089 /nfs/dbraw/zinc/23/90/89/958239089.db2.gz WXEZYFZWWLCTOS-YGRLFVJLSA-N -1 0 334.254 2.899 20 50 EFGDRM Cc1cc2ccc(Cl)cc2[nH]c1=NNC(=O)C1(C(=O)[O-])CCC1 ZINC001594332495 958240378 /nfs/dbraw/zinc/24/03/78/958240378.db2.gz WJJGDXCHXTYVGM-UHFFFAOYSA-N -1 0 333.775 2.895 20 50 EFGDRM C=C(C)COc1cccc(NC(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001588442924 958349162 /nfs/dbraw/zinc/34/91/62/958349162.db2.gz LYAPBSQBKQYXRZ-UHFFFAOYSA-N -1 0 342.355 2.883 20 50 EFGDRM COc1ccc(NNC(=O)[C@H](C(=O)[O-])C(C)(C)C)c(C(F)(F)F)c1 ZINC001594105813 958465855 /nfs/dbraw/zinc/46/58/55/958465855.db2.gz NUNJMNFUKBEELR-LLVKDONJSA-N -1 0 348.321 2.904 20 50 EFGDRM CSc1ccc(CCCC(=O)NN=c2[nH]cccc2C(=O)[O-])cc1 ZINC001594195294 959190877 /nfs/dbraw/zinc/19/08/77/959190877.db2.gz YDODEFCMWRPQLN-UHFFFAOYSA-N -1 0 345.424 2.968 20 50 EFGDRM CSc1ccc(C)c(NC(=O)NN=c2[nH]cccc2C(=O)[O-])c1 ZINC001594195268 959191259 /nfs/dbraw/zinc/19/12/59/959191259.db2.gz WKWFAQBPUXLLEW-UHFFFAOYSA-N -1 0 332.385 2.959 20 50 EFGDRM CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001573559168 959269550 /nfs/dbraw/zinc/26/95/50/959269550.db2.gz FFPGOPBQJWYZTP-NSHDSACASA-N -1 0 340.811 2.588 20 50 EFGDRM C[C@@H](NC(=O)NNc1ccc(F)c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573621026 959512015 /nfs/dbraw/zinc/51/20/15/959512015.db2.gz VZWAFSQTAICTNS-DVVUODLYSA-N -1 0 341.358 2.726 20 50 EFGDRM Cc1c(/C=C(\C#N)C(=O)OCc2cccc(C(=O)[O-])c2)cc(C#N)n1C ZINC001594259350 959681189 /nfs/dbraw/zinc/68/11/89/959681189.db2.gz MPPYSFFSMCNHDT-FRKPEAEDSA-N -1 0 349.346 2.554 20 50 EFGDRM Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccccc1C(=O)[O-] ZINC001574344294 960958339 /nfs/dbraw/zinc/95/83/39/960958339.db2.gz GUIVQVQCEYOWEJ-UHFFFAOYSA-N -1 0 330.300 2.750 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)NCC(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC001574350624 960985625 /nfs/dbraw/zinc/98/56/25/960985625.db2.gz VJROZAANFVZGML-CXUHLZMHSA-N -1 0 337.379 2.510 20 50 EFGDRM Cc1onc(-c2ccccc2)c1C(=O)NNc1ncccc1C(=O)[O-] ZINC001574443848 961434800 /nfs/dbraw/zinc/43/48/00/961434800.db2.gz IKSUTSXDMGBCQO-UHFFFAOYSA-N -1 0 338.323 2.500 20 50 EFGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2ccccc2OC(F)(F)F)C1 ZINC001574578463 962090494 /nfs/dbraw/zinc/09/04/94/962090494.db2.gz HTUXBEBFRBRAEX-DTWKUNHWSA-N -1 0 332.278 2.529 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNc2ccnc3cc(Cl)ccc32)cn1 ZINC001574578727 962092683 /nfs/dbraw/zinc/09/26/83/962092683.db2.gz MWUOUUHEEXATTN-UHFFFAOYSA-N -1 0 342.742 2.738 20 50 EFGDRM N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)N(CC(F)(F)F)C1CC1 ZINC000264728033 962754585 /nfs/dbraw/zinc/75/45/85/962754585.db2.gz CSBYTAURYHZWMI-KPKJPENVSA-N -1 0 338.285 2.845 20 50 EFGDRM C=C(C)C[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C)C(=O)[O-] ZINC001573321963 962763954 /nfs/dbraw/zinc/76/39/54/962763954.db2.gz SKLNJQIZTXINPK-BRVCPTFNSA-N -1 0 343.427 2.958 20 50 EFGDRM O=C([O-])C1(NS(=O)(=O)c2ccc(CCCCl)cc2)CCCC1 ZINC000270416678 962774209 /nfs/dbraw/zinc/77/42/09/962774209.db2.gz DMOGTHXXPVUWJC-UHFFFAOYSA-N -1 0 345.848 2.534 20 50 EFGDRM CC(C)(CNS(=O)(=O)c1ccc(CCCCl)cc1)CC(=O)[O-] ZINC000275009203 962813085 /nfs/dbraw/zinc/81/30/85/962813085.db2.gz NBKBMOZFIRHOHY-UHFFFAOYSA-N -1 0 347.864 2.637 20 50 EFGDRM COc1ccc(NNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC001574218827 962954927 /nfs/dbraw/zinc/95/49/27/962954927.db2.gz LOLLRRCKRODGNR-DTWKUNHWSA-N -1 0 346.305 2.658 20 50 EFGDRM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(CCCl)cc1 ZINC000315011739 963843243 /nfs/dbraw/zinc/84/32/43/963843243.db2.gz DNJREEJUEFZXLD-UHFFFAOYSA-N -1 0 339.800 2.967 20 50 EFGDRM CC(C)C[C@H](CNC(=O)NNc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000818627973 969192309 /nfs/dbraw/zinc/19/23/09/969192309.db2.gz OAHITHGBTCBYNQ-SECBINFHSA-N -1 0 331.775 2.852 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC001605821163 972551995 /nfs/dbraw/zinc/55/19/95/972551995.db2.gz UXHADWAKFJLTGX-UHFFFAOYSA-N -1 0 340.314 2.671 20 50 EFGDRM CSc1ccc(NNC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001604965155 972556549 /nfs/dbraw/zinc/55/65/49/972556549.db2.gz YBVQGFIMJVWVDZ-UHFFFAOYSA-N -1 0 331.397 2.933 20 50 EFGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NN=c1[nH]c2ccc(Cl)cc2s1 ZINC001603320952 972639528 /nfs/dbraw/zinc/63/95/28/972639528.db2.gz OCDXJEHRJZSWLU-AWEZNQCLSA-N -1 0 339.804 2.894 20 50 EFGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNc1ccc(OCC(F)(F)F)cc1 ZINC001603321615 972643378 /nfs/dbraw/zinc/64/33/78/972643378.db2.gz VSYVIEXOLFQZGI-AWEZNQCLSA-N -1 0 346.305 2.572 20 50 EFGDRM Cc1c(NNC(=O)C2(C(=O)[O-])CCCCCC2)cccc1[N+](=O)[O-] ZINC001605092166 972741548 /nfs/dbraw/zinc/74/15/48/972741548.db2.gz OSHCJCSSRQNDFZ-UHFFFAOYSA-N -1 0 335.360 2.772 20 50 EFGDRM Cc1cc(C(=O)NNc2ncccc2C(=O)[O-])c(-n2cccc2)s1 ZINC001605120392 972778552 /nfs/dbraw/zinc/77/85/52/972778552.db2.gz ALYPPQGPJRHERE-UHFFFAOYSA-N -1 0 342.380 2.697 20 50 EFGDRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NNc2cccc(Cl)c2Cl)CO1 ZINC001606112927 973335656 /nfs/dbraw/zinc/33/56/56/973335656.db2.gz ZEFQLGQTPUDDGO-DTWKUNHWSA-N -1 0 347.198 2.706 20 50 EFGDRM CC[C@H](Oc1ccccc1Cl)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001603593520 973803924 /nfs/dbraw/zinc/80/39/24/973803924.db2.gz IGXIJYKJRZRZOI-LBPRGKRZSA-N -1 0 349.774 2.734 20 50 EFGDRM COc1ccc(NC(=O)NN=c2[nH]cccc2C(=O)[O-])cc1Cl ZINC001604820955 974058399 /nfs/dbraw/zinc/05/83/99/974058399.db2.gz ZFEPOTFXVRMHSR-UHFFFAOYSA-N -1 0 336.735 2.590 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CC[C@@H]1CCc2ccccc21 ZINC001605677149 974091066 /nfs/dbraw/zinc/09/10/66/974091066.db2.gz PMNKYPQXCBYWGX-ZDUSSCGKSA-N -1 0 325.368 2.733 20 50 EFGDRM COc1ccc2[nH]c(=NNC(=O)CCCCC(=O)[O-])c(C)cc2c1 ZINC001604851299 974091520 /nfs/dbraw/zinc/09/15/20/974091520.db2.gz KDKXBRBTGQCEIW-UHFFFAOYSA-N -1 0 331.372 2.640 20 50 EFGDRM O=C([O-])c1cccc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)c1 ZINC001605710058 974141646 /nfs/dbraw/zinc/14/16/46/974141646.db2.gz WUYBQFRASSCVHN-UHFFFAOYSA-N -1 0 348.358 2.542 20 50 EFGDRM CC(C)c1c(Cl)ncnc1NNC(=O)c1ccccc1C(=O)[O-] ZINC001591923522 976402585 /nfs/dbraw/zinc/40/25/85/976402585.db2.gz RQGFZCAUPFSQQQ-UHFFFAOYSA-N -1 0 334.763 2.709 20 50 EFGDRM CC(C)c1cc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)n(C)n1 ZINC001591930545 976420036 /nfs/dbraw/zinc/42/00/36/976420036.db2.gz LJPGJBDUHXBKTC-UHFFFAOYSA-N -1 0 336.779 2.652 20 50 EFGDRM CC(C)c1nn(C)cc1NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001592050504 976790519 /nfs/dbraw/zinc/79/05/19/976790519.db2.gz QAUJATCEFLUART-UHFFFAOYSA-N -1 0 335.339 2.529 20 50 EFGDRM C[C@H](CC(=O)[O-])CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001592391582 977937731 /nfs/dbraw/zinc/93/77/31/977937731.db2.gz MMTJFAWVQJWRRS-ZETCQYMHSA-N -1 0 349.265 2.558 20 50 EFGDRM CC(=NNC(=O)C1CCC1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000736121700 978304390 /nfs/dbraw/zinc/30/43/90/978304390.db2.gz PZDPUKWKOVGYKO-UHFFFAOYSA-N -1 0 331.397 2.943 20 50 EFGDRM C[C@H](OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736700371 978349515 /nfs/dbraw/zinc/34/95/15/978349515.db2.gz KACVTSZZDVUIRY-NSHDSACASA-N -1 0 345.307 2.804 20 50 EFGDRM C[C@@H]1CCC[C@@H](OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000736779003 978355431 /nfs/dbraw/zinc/35/54/31/978355431.db2.gz HSQSCAYRVNZWNT-GHMZBOCLSA-N -1 0 337.328 2.794 20 50 EFGDRM CCc1[nH]c(C(=O)NNc2ccc(F)c(F)c2F)c(C)c1C(=O)[O-] ZINC000737243420 978390505 /nfs/dbraw/zinc/39/05/05/978390505.db2.gz FPGMLBTYMNSQOE-UHFFFAOYSA-N -1 0 341.289 2.758 20 50 EFGDRM CCc1ccc(OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737267098 978393486 /nfs/dbraw/zinc/39/34/86/978393486.db2.gz CJYOHOVHEGZQQC-UHFFFAOYSA-N -1 0 345.307 2.840 20 50 EFGDRM CCc1ccccc1OCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000737275663 978393889 /nfs/dbraw/zinc/39/38/89/978393889.db2.gz VJFVIOZXILECHK-UHFFFAOYSA-N -1 0 345.307 2.840 20 50 EFGDRM CN(C)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737377628 978401962 /nfs/dbraw/zinc/40/19/62/978401962.db2.gz MVHWRIZSYSMGIE-UHFFFAOYSA-N -1 0 330.296 2.578 20 50 EFGDRM CO[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000737724083 978439755 /nfs/dbraw/zinc/43/97/55/978439755.db2.gz UWNCOIFOSASPGS-AWEZNQCLSA-N -1 0 331.280 2.586 20 50 EFGDRM COc1cc(C=NNC(=O)[O-])cc(OC)c1OCc1ccccc1 ZINC000737878927 978453098 /nfs/dbraw/zinc/45/30/98/978453098.db2.gz NATZTWMBCXJFEN-UHFFFAOYSA-N -1 0 330.340 2.884 20 50 EFGDRM COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1OC ZINC000737947994 978461826 /nfs/dbraw/zinc/46/18/26/978461826.db2.gz NRDORQZWTVTODS-UHFFFAOYSA-N -1 0 347.279 2.529 20 50 EFGDRM Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)NNC(=O)[O-] ZINC000738286368 978510720 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EFGDRM O=C([O-])c1cc(OC(=O)CCOCc2ccccc2)ccc1[N+](=O)[O-] ZINC000739252826 978624097 /nfs/dbraw/zinc/62/40/97/978624097.db2.gz ZIXSXGFXLNZTAB-UHFFFAOYSA-N -1 0 345.307 2.805 20 50 EFGDRM O=C([O-])c1cc(OC(=O)c2scnc2Cl)ccc1[N+](=O)[O-] ZINC000740087016 978666927 /nfs/dbraw/zinc/66/69/27/978666927.db2.gz GVVOBBACUFSBTO-UHFFFAOYSA-N -1 0 328.689 2.622 20 50 EFGDRM O=C([O-])c1cc(OC(=O)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000740088727 978667812 /nfs/dbraw/zinc/66/78/12/978667812.db2.gz WZFIBDDFYAWWRC-ZDUSSCGKSA-N -1 0 327.292 2.928 20 50 EFGDRM O=C([O-])c1ccc(C=NNC(=O)C(F)(F)Oc2ccccc2)cc1 ZINC000740124385 978670418 /nfs/dbraw/zinc/67/04/18/978670418.db2.gz XGZLAUDSZGDPKY-UHFFFAOYSA-N -1 0 334.278 2.507 20 50 EFGDRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3cnn(CCCl)c3)nc2c1 ZINC000740188607 978671752 /nfs/dbraw/zinc/67/17/52/978671752.db2.gz DZNPTQXHUWOBCG-DAFODLJHSA-N -1 0 344.758 2.639 20 50 EFGDRM C[C@@H]1CCc2sc(C(=O)NN=Cc3ccc(C(=O)[O-])[nH]3)cc2C1 ZINC000749810495 978689641 /nfs/dbraw/zinc/68/96/41/978689641.db2.gz VOKAVIQUPUXYTG-SECBINFHSA-N -1 0 331.397 2.663 20 50 EFGDRM C[C@H]1CCc2sc(C(=O)NN=Cc3ccc(C(=O)[O-])[nH]3)cc2C1 ZINC000749810498 978689736 /nfs/dbraw/zinc/68/97/36/978689736.db2.gz VOKAVIQUPUXYTG-VIFPVBQESA-N -1 0 331.397 2.663 20 50 EFGDRM C[C@@H](Oc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000794855697 978823235 /nfs/dbraw/zinc/82/32/35/978823235.db2.gz ZPHUCGGLZJEHDY-LLVKDONJSA-N -1 0 346.770 2.956 20 50 EFGDRM N#C/C(=C/c1ccc(OCC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cn1 ZINC000812241852 978869316 /nfs/dbraw/zinc/86/93/16/978869316.db2.gz JRBIUUDRZMTWNM-GHXNOFRVSA-N -1 0 325.280 2.517 20 50 EFGDRM CC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CCCCC(=O)[O-] ZINC000814683012 978871696 /nfs/dbraw/zinc/87/16/96/978871696.db2.gz UDISBSWSAACBCE-LLVKDONJSA-N -1 0 335.360 2.982 20 50 EFGDRM Cc1ccc(OCC(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1C ZINC000814719974 978876107 /nfs/dbraw/zinc/87/61/07/978876107.db2.gz BQFYBVOLMFBQHP-KGLIPLIRSA-N -1 0 332.400 2.675 20 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CN(NC(=O)OCc1ccccc1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001598540569 992895900 /nfs/dbraw/zinc/89/59/00/992895900.db2.gz AMRQKEZOXXKWEC-UHFFFAOYSA-N -1 0 348.399 2.711 20 50 EFGDRM COc1ccc(F)cc1[C@H](C)NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599583068 993577445 /nfs/dbraw/zinc/57/74/45/993577445.db2.gz NCDUDBXQANAGDW-JTQLQIEISA-N -1 0 347.346 2.920 20 50 EFGDRM COc1ccc([C@@H]2C[C@H]2C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001599620262 994071809 /nfs/dbraw/zinc/07/18/09/994071809.db2.gz LIMPDOVOMPJMJK-UONOGXRCSA-N -1 0 344.342 2.779 20 50 EFGDRM COc1ccc2c(c1)[C@H](C(=O)NNc1ccccc1C(=O)[O-])CC2 ZINC001599626524 994157114 /nfs/dbraw/zinc/15/71/14/994157114.db2.gz YURXAPWGVPSXAZ-CYBMUJFWSA-N -1 0 326.352 2.567 20 50 EFGDRM COc1cccc(C(=O)NNc2ccccc2C(=O)[O-])c1OC(C)C ZINC001599642253 994375436 /nfs/dbraw/zinc/37/54/36/994375436.db2.gz GDGMEZZWRLMPMI-UHFFFAOYSA-N -1 0 344.367 2.938 20 50 EFGDRM COc1cccc(C)c1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599661501 994663209 /nfs/dbraw/zinc/66/32/09/994663209.db2.gz 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COc1cc(C(=O)[O-])ccc1NNC(=O)C1CCC(F)(F)CC1 ZINC001599375705 998481725 /nfs/dbraw/zinc/48/17/25/998481725.db2.gz BEHYFUPHAAGATH-UHFFFAOYSA-N -1 0 328.315 2.662 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@@H](SC)c1ccccc1 ZINC001599375901 998484818 /nfs/dbraw/zinc/48/48/18/998484818.db2.gz HZIXHEJODIQBGO-HNNXBMFYSA-N -1 0 346.408 2.941 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001599376218 998490962 /nfs/dbraw/zinc/49/09/62/998490962.db2.gz NHYMBHQOYJNQAM-UHFFFAOYSA-N -1 0 346.358 2.953 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc(F)c(F)c1F ZINC001599376496 998494699 /nfs/dbraw/zinc/49/46/99/998494699.db2.gz NKGDEGNVZANCPD-UHFFFAOYSA-N -1 0 340.257 2.568 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc2c(s1)CCC2 ZINC001599376533 998494933 /nfs/dbraw/zinc/49/49/33/998494933.db2.gz OQZPDJZYZBWBDJ-UHFFFAOYSA-N -1 0 332.381 2.701 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)CCOc1cccc(C)c1 ZINC001599376770 998500136 /nfs/dbraw/zinc/50/01/36/998500136.db2.gz 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Cc1ccc(NC(=O)NNC(=O)c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000832948452 600815162 /nfs/dbraw/zinc/81/51/62/600815162.db2.gz OHMFRJGOYFPUAV-UHFFFAOYSA-N -1 0 347.758 2.813 20 50 EFGDRM O=C([O-])Nc1cccc(C(=O)NNc2cc(F)c(F)c(F)c2)c1 ZINC000833291615 601123193 /nfs/dbraw/zinc/12/31/93/601123193.db2.gz NKENXWQNCZJWCN-UHFFFAOYSA-N -1 0 325.246 2.951 20 50 EFGDRM Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1C ZINC000832971238 601208908 /nfs/dbraw/zinc/20/89/08/601208908.db2.gz SEZJUPJWWLCMFY-OLZOCXBDSA-N -1 0 349.456 2.512 20 50 EFGDRM O=C([O-])CC1(NC(=O)CCCC[C@H]2CCSS2)CCOCC1 ZINC000833202814 601330257 /nfs/dbraw/zinc/33/02/57/601330257.db2.gz RSVWWXJTLVBQNC-LBPRGKRZSA-N -1 0 347.502 2.841 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(CC(=O)[O-])CCC2)c1C ZINC000829579658 601452489 /nfs/dbraw/zinc/45/24/89/601452489.db2.gz JZVNUUMZKFHPKU-YBEGLDIGSA-N -1 0 343.427 2.936 20 50 EFGDRM Cc1ccc(SCC(=O)NN[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832957169 601453742 /nfs/dbraw/zinc/45/37/42/601453742.db2.gz 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O=C([O-])c1cc(OC(=O)Cc2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000833116551 601676819 /nfs/dbraw/zinc/67/68/19/601676819.db2.gz DPZAABFAFWSPTF-UHFFFAOYSA-N -1 0 337.234 2.719 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)NCC(C)(C)C(=O)[O-])c(C)n1CC(C)C ZINC000832881220 601712549 /nfs/dbraw/zinc/71/25/49/601712549.db2.gz LUJJFXAMHZHWPR-PXNMLYILSA-N -1 0 345.443 2.895 20 50 EFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CC)C(=O)[O-])c1C ZINC000829448062 601752115 /nfs/dbraw/zinc/75/21/15/601752115.db2.gz WMXBHXCCLIDUNF-KMPOOHAWSA-N -1 0 331.416 2.791 20 50 EFGDRM Cc1cc(C(=O)NN(C)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832864606 601756297 /nfs/dbraw/zinc/75/62/97/601756297.db2.gz OZOAHFPEOPKLAG-UHFFFAOYSA-N -1 0 328.368 2.548 20 50 EFGDRM CCOc1ccccc1NC(=O)/C(C#N)=C/c1c[nH]c(C(=O)[O-])c1 ZINC000830109842 601789326 /nfs/dbraw/zinc/78/93/26/601789326.db2.gz NVIOOTBAQFMFCM-KPKJPENVSA-N -1 0 325.324 2.657 20 50 EFGDRM CC(C)[C@H](NC(=O)[O-])C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC000827089242 601817370 /nfs/dbraw/zinc/81/73/70/601817370.db2.gz UTARKPGHRVLWIO-AWEZNQCLSA-N -1 0 332.312 2.946 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1C ZINC000829579917 602017021 /nfs/dbraw/zinc/01/70/21/602017021.db2.gz NVKLOQNFZHWLHP-LZOLKVDOSA-N -1 0 343.427 2.745 20 50 EFGDRM CCO[C@H](CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(C)C ZINC000829911949 602144811 /nfs/dbraw/zinc/14/48/11/602144811.db2.gz CYEDAHUCXSNSNA-CYBMUJFWSA-N -1 0 325.317 2.650 20 50 EFGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1 ZINC000833183693 602272553 /nfs/dbraw/zinc/27/25/53/602272553.db2.gz IAXXHWDPZXUCEZ-NXEZZACHSA-N -1 0 346.305 2.919 20 50 EFGDRM COc1cc(F)cc(NNC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000832010626 602325602 /nfs/dbraw/zinc/32/56/02/602325602.db2.gz JZAZRWLNWWCETB-UHFFFAOYSA-N -1 0 332.331 2.608 20 50 EFGDRM COc1ccc(/C=C/C(=O)NNc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000833732698 604648797 /nfs/dbraw/zinc/64/87/97/604648797.db2.gz OLVRCYVSZHVUAD-BJMVGYQFSA-N -1 0 342.351 2.559 20 50 EFGDRM CC(C)COc1ccc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC000833487891 604799926 /nfs/dbraw/zinc/79/99/26/604799926.db2.gz JSKUJIOVURPHAW-UHFFFAOYSA-N -1 0 329.356 2.572 20 50 EFGDRM CC(C)(C)c1ncc(C=CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)s1 ZINC000833451143 604802240 /nfs/dbraw/zinc/80/22/40/604802240.db2.gz RHCSVWOMMFHGAG-ALCCZGGFSA-N -1 0 346.412 2.690 20 50 EFGDRM CC(=Cc1ccc(Cl)cc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833387320 604803815 /nfs/dbraw/zinc/80/38/15/604803815.db2.gz YWIGZVHNRUNKNZ-CSKARUKUSA-N -1 0 331.759 2.980 20 50 EFGDRM CC(C)(CCC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1 ZINC000833457372 604804535 /nfs/dbraw/zinc/80/45/35/604804535.db2.gz VBVWXDUJEOVDLZ-UHFFFAOYSA-N -1 0 327.384 2.981 20 50 EFGDRM CC(C)COc1ccccc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833490376 604804640 /nfs/dbraw/zinc/80/46/40/604804640.db2.gz CHMPLYWJLACWSC-UHFFFAOYSA-N -1 0 329.356 2.572 20 50 EFGDRM CC(C)Oc1ccc(Br)cc1NC(=O)NNC(=O)[O-] ZINC000827038166 604904462 /nfs/dbraw/zinc/90/44/62/604904462.db2.gz ILYZZWSIKIDWLS-UHFFFAOYSA-N -1 0 332.154 2.540 20 50 EFGDRM CCCc1c(C(=O)NNc2cccc([N+](=O)[O-])c2)[nH]c(C)c1C(=O)[O-] ZINC000833653562 604935529 /nfs/dbraw/zinc/93/55/29/604935529.db2.gz YJZRWRUKMSNUNO-UHFFFAOYSA-N -1 0 346.343 2.639 20 50 EFGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1ccc2ccccc2c1 ZINC000833406446 605040085 /nfs/dbraw/zinc/04/00/85/605040085.db2.gz GNYQFWOUPLJJGA-AWEZNQCLSA-N -1 0 349.390 2.980 20 50 EFGDRM O=C([O-])Nc1ccc(C(=O)NN=c2nc[nH]c3ccsc32)cc1 ZINC000832838314 605127081 /nfs/dbraw/zinc/12/70/81/605127081.db2.gz GVPDPMLIZZCMCR-UHFFFAOYSA-N -1 0 329.341 2.538 20 50 EFGDRM CC(C)CCC(=O)NN[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833481339 605181621 /nfs/dbraw/zinc/18/16/21/605181621.db2.gz SDOQEPKCCKTITO-ZDUSSCGKSA-N -1 0 343.221 2.632 20 50 EFGDRM CC(C)CCC(=O)NN[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833481337 605181731 /nfs/dbraw/zinc/18/17/31/605181731.db2.gz SDOQEPKCCKTITO-CYBMUJFWSA-N -1 0 343.221 2.632 20 50 EFGDRM COc1ccc(NNC(=O)C2CCC(C(=O)[O-])CC2)cc1Cl 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EFGDRM CC(C)(CC(=O)[O-])CC(=O)NNc1ccc(Br)cc1F ZINC000833454158 605717481 /nfs/dbraw/zinc/71/74/81/605717481.db2.gz DPJSJPVIECKLPO-UHFFFAOYSA-N -1 0 347.184 2.922 20 50 EFGDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833462542 605721108 /nfs/dbraw/zinc/72/11/08/605721108.db2.gz DSFQFEBWOSRUHD-UHFFFAOYSA-N -1 0 339.351 2.557 20 50 EFGDRM CC[C@@H](C)Oc1cc(C(=O)NNc2ccccc2C(=O)[O-])ccn1 ZINC000833640716 605722800 /nfs/dbraw/zinc/72/28/00/605722800.db2.gz AVQIJPUZCBPNHW-LLVKDONJSA-N -1 0 329.356 2.714 20 50 EFGDRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833539705 605724062 /nfs/dbraw/zinc/72/40/62/605724062.db2.gz PKSPDEKETPQVPG-SECBINFHSA-N -1 0 336.294 2.574 20 50 EFGDRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833539058 605735443 /nfs/dbraw/zinc/73/54/43/605735443.db2.gz JTMLFDYPAWGXRY-VIFPVBQESA-N -1 0 336.294 2.574 20 50 EFGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000833520633 605739280 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COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821882677 1423788046 /nfs/dbraw/zinc/78/80/46/1423788046.db2.gz HXEBEUKRQKFACY-NTMALXAHSA-N -1 0 337.364 2.727 20 50 EFGDRM CC(C)(C)SCCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824124651 1424423548 /nfs/dbraw/zinc/42/35/48/1424423548.db2.gz XXKBVFSDVTYDFK-UHFFFAOYSA-N -1 0 334.449 2.622 20 50 EFGDRM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CCCC(C)(C)C)o1 ZINC000735939781 1424941650 /nfs/dbraw/zinc/94/16/50/1424941650.db2.gz SPWLUXIEFODSBQ-UHFFFAOYSA-N -1 0 335.412 2.638 20 50 EFGDRM Cc1cc(C)cc(C2(C(=O)NNc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826264323 1429767467 /nfs/dbraw/zinc/76/74/67/1429767467.db2.gz KACZXQQHEKXWQD-UHFFFAOYSA-N -1 0 348.410 2.658 20 50 EFGDRM CC1(C)CCC[C@H](CC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824801767 1425748559 /nfs/dbraw/zinc/74/85/59/1425748559.db2.gz IRQPBSLGVXCWFF-GFCCVEGCSA-N -1 0 328.420 2.916 20 50 EFGDRM CC(=NNC(=O)CCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735447065 1426061157 /nfs/dbraw/zinc/06/11/57/1426061157.db2.gz 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C[C@H](C=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824385114 1446403834 /nfs/dbraw/zinc/40/38/34/1446403834.db2.gz LYXRIWHAKRWMGT-LLVKDONJSA-N -1 0 338.346 2.525 20 50 EFGDRM O=C(CCC1CCCCC1)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826405481 1446696381 /nfs/dbraw/zinc/69/63/81/1446696381.db2.gz HMBHZFJIEFNYDE-UHFFFAOYSA-N -1 0 326.404 2.677 20 50 EFGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1ccc(Cl)cc1 ZINC000822796786 1446838248 /nfs/dbraw/zinc/83/82/48/1446838248.db2.gz YQRUUAFLQIWRBY-VQHVLOKHSA-N -1 0 340.730 2.659 20 50 EFGDRM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)OC1CCCCC1 ZINC000822796704 1446996406 /nfs/dbraw/zinc/99/64/06/1446996406.db2.gz WMCGPFUBVUETMY-POHAHGRESA-N -1 0 329.385 2.711 20 50 EFGDRM Cc1nc(C(C#N)=Cc2cnc3ccc(-c4nn[n-]n4)cn23)sc1C ZINC000737467350 1447131470 /nfs/dbraw/zinc/13/14/70/1447131470.db2.gz BEEFEBAHFTUMSJ-XGICHPGQSA-N -1 0 348.395 2.652 20 50 EFGDRM CN(C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1)C1CCCCC1 ZINC000821569576 1449110516 /nfs/dbraw/zinc/11/05/16/1449110516.db2.gz 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CC(C)C[C@H](CNC(=O)NC[C@]1(C)C[C@@H]1Br)CC(=O)[O-] ZINC000857100431 969306785 /nfs/dbraw/zinc/30/67/85/969306785.db2.gz GQFKSHWUDYPJMA-MJVIPROJSA-N -1 0 349.269 2.596 20 50 EFGDRM O=C([O-])c1cncc(NC(=O)NNc2ccccc2C(F)(F)F)c1 ZINC001605815290 972541989 /nfs/dbraw/zinc/54/19/89/972541989.db2.gz BPUZTVYXVLHEBC-UHFFFAOYSA-N -1 0 340.261 2.947 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cn1 ZINC001605816000 972547692 /nfs/dbraw/zinc/54/76/92/972547692.db2.gz ZXQAYAVFUHSYPR-UHFFFAOYSA-N -1 0 343.236 2.695 20 50 EFGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1cc(F)c(F)cc1F ZINC001603312867 972611363 /nfs/dbraw/zinc/61/13/63/972611363.db2.gz UAEYRPXDPZKVSB-UHFFFAOYSA-N -1 0 330.306 2.684 20 50 EFGDRM CN(NC(=O)OCc1ccccc1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001604195109 972629418 /nfs/dbraw/zinc/62/94/18/972629418.db2.gz KXAMBJDIFLIDGP-UHFFFAOYSA-N -1 0 348.399 2.711 20 50 EFGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNc1ccc(F)cc1Br ZINC001603321134 972641113 /nfs/dbraw/zinc/64/11/13/972641113.db2.gz 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973960061 /nfs/dbraw/zinc/96/00/61/973960061.db2.gz SXNIQQHBKOLXRF-UHFFFAOYSA-N -1 0 335.703 2.703 20 50 EFGDRM CCCn1c(C(=O)NN=c2[nH]cccc2C(=O)[O-])cc2ccccc21 ZINC001603698718 974094956 /nfs/dbraw/zinc/09/49/56/974094956.db2.gz NWQNFHIZNYGZCS-UHFFFAOYSA-N -1 0 338.367 2.901 20 50 EFGDRM C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1)C(=O)[O-] ZINC000490941590 974256134 /nfs/dbraw/zinc/25/61/34/974256134.db2.gz LKMGMPYAXZINQE-XTCQQWIJSA-N -1 0 328.368 2.504 20 50 EFGDRM CC(C)Oc1cc(NC(=O)NNc2cccc(C(=O)[O-])c2F)ccn1 ZINC001591756561 975826556 /nfs/dbraw/zinc/82/65/56/975826556.db2.gz CFHVWZZDMZLRPC-UHFFFAOYSA-N -1 0 348.334 2.855 20 50 EFGDRM CC(C)c1ccc(C(=O)NNc2cccc(C(=O)[O-])c2F)c(=O)[nH]1 ZINC001591942215 976466907 /nfs/dbraw/zinc/46/69/07/976466907.db2.gz DVKDDZMGHRJVSZ-UHFFFAOYSA-N -1 0 333.319 2.505 20 50 EFGDRM CC(C)c1nc(CCNC(=O)NNc2cccc(C(=O)[O-])c2)cs1 ZINC001592015442 976697339 /nfs/dbraw/zinc/69/73/39/976697339.db2.gz NHDGRNTVNOIEKM-UHFFFAOYSA-N -1 0 348.428 2.834 20 50 EFGDRM C[C@@H](C1CC1)n1nccc1NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001592180439 977092932 /nfs/dbraw/zinc/09/29/32/977092932.db2.gz BWJPOUXYIHVTNZ-VIFPVBQESA-N -1 0 347.350 2.840 20 50 EFGDRM C[C@@H](CC(=O)NNc1cccc(C(=O)[O-])c1)C(=O)c1ccccc1 ZINC001592251632 977479720 /nfs/dbraw/zinc/47/97/20/977479720.db2.gz GZAQZLZLHFOETC-LBPRGKRZSA-N -1 0 326.352 2.737 20 50 EFGDRM C[C@H](CC=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)C(=O)[O-] ZINC001592463714 978191443 /nfs/dbraw/zinc/19/14/43/978191443.db2.gz HVNJGLHAXOZWQH-OLZOCXBDSA-N -1 0 328.368 2.820 20 50 EFGDRM CC(CCC(=O)[O-])=NNC(=O)c1ccc(F)cc1Br ZINC001592471507 978232183 /nfs/dbraw/zinc/23/21/83/978232183.db2.gz ZHSVZBAPGFFEGH-UHFFFAOYSA-N -1 0 331.141 2.559 20 50 EFGDRM CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000731563134 978299877 /nfs/dbraw/zinc/29/98/77/978299877.db2.gz LWIMDEDNJFFHKS-IZZDOVSWSA-N -1 0 332.312 2.580 20 50 EFGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNc1ccnc2cc(Cl)ccc21 ZINC000736376757 978327739 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EFGDRM CCc1ccccc1OCC(=O)NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000814723710 978877001 /nfs/dbraw/zinc/87/70/01/978877001.db2.gz BUVYFXRVKXEPOZ-GXTWGEPZSA-N -1 0 332.400 2.621 20 50 EFGDRM CCOc1ccc(C(=O)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)cc1OC ZINC000814754532 978881588 /nfs/dbraw/zinc/88/15/88/978881588.db2.gz KXJIAMNASPAACD-VXGBXAGGSA-N -1 0 348.399 2.701 20 50 EFGDRM C[C@H]1CCc2sc(C(=O)NN=Cc3c[nH]c(C(=O)[O-])c3)cc2C1 ZINC000814759545 978882328 /nfs/dbraw/zinc/88/23/28/978882328.db2.gz GRWPSZMPBUYHKQ-VIFPVBQESA-N -1 0 331.397 2.663 20 50 EFGDRM C[C@H]1C(=NNC(=O)c2cn(C)c3ccccc23)CC[C@H]1CC(=O)[O-] ZINC000814777064 978883830 /nfs/dbraw/zinc/88/38/30/978883830.db2.gz LKBZFJRFGKQDJK-NEPJUHHUSA-N -1 0 327.384 2.785 20 50 EFGDRM COc1ccc(CCC(=O)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1 ZINC000814814392 978888165 /nfs/dbraw/zinc/88/81/65/978888165.db2.gz JPWMJRWUHACYMW-GXTWGEPZSA-N -1 0 332.400 2.621 20 50 EFGDRM C[C@H]1C(=NNC(=O)c2cccc3cccnc32)CC[C@H]1CC(=O)[O-] ZINC000814824181 978889296 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982611210 /nfs/dbraw/zinc/61/12/10/982611210.db2.gz IBSCVAVUYZXAEK-UHFFFAOYSA-N -1 0 335.389 2.728 20 50 EFGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)C(=O)[O-])c1C ZINC001595802025 982616940 /nfs/dbraw/zinc/61/69/40/982616940.db2.gz DAZADAXJNUTEHF-KWZJRMENSA-N -1 0 331.416 2.744 20 50 EFGDRM CCCCn1ncc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)c1C ZINC001595807288 982633684 /nfs/dbraw/zinc/63/36/84/982633684.db2.gz IPIZBBWAJRCLSZ-UHFFFAOYSA-N -1 0 345.403 2.767 20 50 EFGDRM Cc1ccccc1NC(=O)NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000916661964 982677562 /nfs/dbraw/zinc/67/75/62/982677562.db2.gz KCUVPSVLGQSDPN-UHFFFAOYSA-N -1 0 327.340 2.614 20 50 EFGDRM O=C([O-])COc1ccc(C=NNC(=O)c2ccccc2Cl)cc1 ZINC001084234714 982921746 /nfs/dbraw/zinc/92/17/46/982921746.db2.gz UGXJPTJJQLHKAQ-UHFFFAOYSA-N -1 0 332.743 2.567 20 50 EFGDRM CCCN(NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C(=O)OC(C)(C)C ZINC001595894425 982928960 /nfs/dbraw/zinc/92/89/60/982928960.db2.gz CXTASGDFOPJLPV-UHFFFAOYSA-N -1 0 340.420 2.700 20 50 EFGDRM CCCc1nc(C)c(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)s1 ZINC001596082117 983398154 /nfs/dbraw/zinc/39/81/54/983398154.db2.gz HDMZSDUYWBYJLM-UHFFFAOYSA-N -1 0 337.376 2.998 20 50 EFGDRM CCCn1nc(C)c(C(=O)NNc2cccc(C(=O)[O-])c2C)c1C ZINC001596117892 983450462 /nfs/dbraw/zinc/45/04/62/983450462.db2.gz FMJMXXGZCDRQGT-UHFFFAOYSA-N -1 0 330.388 2.673 20 50 EFGDRM CCCn1nc(C)c(C(=O)NNc2cccc(F)c2C(=O)[O-])c1C ZINC001596118375 983452761 /nfs/dbraw/zinc/45/27/61/983452761.db2.gz WVJJTAOWRUTUDB-UHFFFAOYSA-N -1 0 334.351 2.504 20 50 EFGDRM C#CCOc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001588497884 983542015 /nfs/dbraw/zinc/54/20/15/983542015.db2.gz IINYHGAWOQBSOS-UHFFFAOYSA-N -1 0 343.314 2.685 20 50 EFGDRM C#CCOc1ccc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001588498128 983543381 /nfs/dbraw/zinc/54/33/81/983543381.db2.gz XGHRSSARDWWQIC-UHFFFAOYSA-N -1 0 343.314 2.685 20 50 EFGDRM C=C(CBr)COC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001588605307 983691701 /nfs/dbraw/zinc/69/17/01/983691701.db2.gz 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EFGDRM CCOc1cccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)c1 ZINC001597162039 986971349 /nfs/dbraw/zinc/97/13/49/986971349.db2.gz UHEQMLBBUWVDAZ-UHFFFAOYSA-N -1 0 329.356 2.861 20 50 EFGDRM CCOc1ccccc1CCC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001597173681 987021824 /nfs/dbraw/zinc/02/18/24/987021824.db2.gz NWWLMGOLGKHQIK-UHFFFAOYSA-N -1 0 346.358 2.999 20 50 EFGDRM CCC(=CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccc(OC)cc1 ZINC001594691165 987087930 /nfs/dbraw/zinc/08/79/30/987087930.db2.gz POYTVCXYIOLLJH-BENRWUELSA-N -1 0 341.367 2.725 20 50 EFGDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)cc1 ZINC001589511817 987142951 /nfs/dbraw/zinc/14/29/51/987142951.db2.gz JEUZWLMUKMXINM-JTQLQIEISA-N -1 0 344.327 2.932 20 50 EFGDRM CCC(=O)Nc1cccc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001594713149 987180502 /nfs/dbraw/zinc/18/05/02/987180502.db2.gz GAKLFMNVQXVYGU-UHFFFAOYSA-N -1 0 345.330 2.629 20 50 EFGDRM CCC(=O)c1cc(C(=O)NNc2ccc(CC(=O)[O-])cc2)ccc1F ZINC001594718030 987197478 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CC(C)(C)[C@H](Br)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001589699855 987788428 /nfs/dbraw/zinc/78/84/28/987788428.db2.gz SPTRFNQZXXJIFU-SNVBAGLBSA-N -1 0 347.184 2.777 20 50 EFGDRM C[C@H]1CC[C@@](NC(=O)[C@H](Br)C(C)(C)C)(C(=O)[O-])CC1 ZINC001589700136 987789289 /nfs/dbraw/zinc/78/92/89/987789289.db2.gz UITYACVXODEOIB-BHDSKKPTSA-N -1 0 334.254 2.946 20 50 EFGDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NNC(=O)c1ccccc1C ZINC001597460051 987889334 /nfs/dbraw/zinc/88/93/34/987889334.db2.gz SEGCGNKXFOCQQU-UHFFFAOYSA-N -1 0 341.367 2.722 20 50 EFGDRM CS[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])cc1F)C(C)(C)C ZINC001599787453 987947678 /nfs/dbraw/zinc/94/76/78/987947678.db2.gz QFRKXZSUQUJXHA-LBPRGKRZSA-N -1 0 343.424 2.928 20 50 EFGDRM CCc1ccc(C(=O)NNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001597501208 988065562 /nfs/dbraw/zinc/06/55/62/988065562.db2.gz ZBNIXQZTTZEUIZ-UHFFFAOYSA-N -1 0 346.770 2.675 20 50 EFGDRM CCc1noc2ncc(C(=O)NNc3cccc(C(=O)[O-])c3C)cc12 ZINC001597754241 989155094 /nfs/dbraw/zinc/15/50/94/989155094.db2.gz 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COc1cccc2c1[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1F)CC2 ZINC001599690123 991054674 /nfs/dbraw/zinc/05/46/74/991054674.db2.gz UFSLHLKQSURKNP-NSHDSACASA-N -1 0 344.342 2.706 20 50 EFGDRM CN(C)N(C(=O)c1ccccc1Cl)c1nc(CC(=O)[O-])cs1 ZINC001598257745 991075563 /nfs/dbraw/zinc/07/55/63/991075563.db2.gz RRSQREKRVZUGGR-UHFFFAOYSA-N -1 0 339.804 2.547 20 50 EFGDRM CN(C)N(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1nc(CC(=O)[O-])cs1 ZINC001598257822 991076774 /nfs/dbraw/zinc/07/67/74/991076774.db2.gz UDKRTAZTFUQZEK-CMPLNLGQSA-N -1 0 339.461 2.652 20 50 EFGDRM CN(C)c1ccc(NC(=O)NN=C2CCC(CC(=O)[O-])CC2)cc1 ZINC001598325280 991342176 /nfs/dbraw/zinc/34/21/76/991342176.db2.gz JEKWDACMMGFUHT-UHFFFAOYSA-N -1 0 332.404 2.895 20 50 EFGDRM COc1ccccc1CCC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599709263 991343015 /nfs/dbraw/zinc/34/30/15/991343015.db2.gz WIWONXJLSJOGIZ-UHFFFAOYSA-N -1 0 332.331 2.608 20 50 EFGDRM CC(C)[C@@H]1C[C@H](CC(=O)NNc2cccc(F)c2C(=O)[O-])CCO1 ZINC001591072937 991539144 /nfs/dbraw/zinc/53/91/44/991539144.db2.gz 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COc1cccc(C)c1NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001599661171 994657470 /nfs/dbraw/zinc/65/74/70/994657470.db2.gz HCIIETDDDUCRQW-UHFFFAOYSA-N -1 0 333.319 2.990 20 50 EFGDRM COc1cccc(/C=C(/C#N)C(=O)OCc2cc(C(=O)[O-])oc2C)c1 ZINC001599663857 994698136 /nfs/dbraw/zinc/69/81/36/994698136.db2.gz HAAWMXFDLPAQKK-MLPAPPSSSA-N -1 0 341.319 2.945 20 50 EFGDRM COc1cccc(CC(=O)NNc2ccccc2C(=O)[O-])c1Cl ZINC001599665266 994719905 /nfs/dbraw/zinc/71/99/05/994719905.db2.gz NOYSGILAKPRNRX-UHFFFAOYSA-N -1 0 334.759 2.733 20 50 EFGDRM CNc1ccc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)c(Cl)c1 ZINC001598679022 994896158 /nfs/dbraw/zinc/89/61/58/994896158.db2.gz ZUZPYHQDMYUJMS-UHFFFAOYSA-N -1 0 337.738 2.976 20 50 EFGDRM COc1cccc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1OC ZINC001599677790 994927264 /nfs/dbraw/zinc/92/72/64/994927264.db2.gz YVXRTICIBPLHED-UHFFFAOYSA-N -1 0 349.318 2.690 20 50 EFGDRM CNc1snc(C)c1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598685229 994994962 /nfs/dbraw/zinc/99/49/62/994994962.db2.gz SUAIGICMILCCMI-UHFFFAOYSA-N -1 0 340.792 2.602 20 50 EFGDRM C[C@H](Oc1ccccc1F)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001593650884 996009214 /nfs/dbraw/zinc/00/92/14/996009214.db2.gz FEZLUHSVWQREHF-VIFPVBQESA-N -1 0 336.294 2.574 20 50 EFGDRM C[C@@H](Oc1ccccc1F)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001593651313 996011183 /nfs/dbraw/zinc/01/11/83/996011183.db2.gz KNQWNSJTCOYZMU-SECBINFHSA-N -1 0 336.294 2.574 20 50 EFGDRM C[C@H](Oc1ccccc1F)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001593652159 996015714 /nfs/dbraw/zinc/01/57/14/996015714.db2.gz WYQIOOZOHRVOLH-VIFPVBQESA-N -1 0 336.294 2.574 20 50 EFGDRM C[C@@H](Sc1ccccn1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001593679726 996102858 /nfs/dbraw/zinc/10/28/58/996102858.db2.gz NEGGGVDSYCTBHT-SECBINFHSA-N -1 0 335.360 2.543 20 50 EFGDRM CC1(C(=O)NNc2cc(C(=O)[O-])ccc2Br)CCC1 ZINC001593754829 996399921 /nfs/dbraw/zinc/39/99/21/996399921.db2.gz CVHNLBFYQACKBC-UHFFFAOYSA-N -1 0 327.178 2.781 20 50 EFGDRM C[C@]1(C(=O)NNc2ccc(C(=O)[O-])cc2F)CCc2ccccc21 ZINC001593754843 996399986 /nfs/dbraw/zinc/39/99/86/996399986.db2.gz DFRJKZVUNCVUSD-SFHVURJKSA-N -1 0 328.343 2.871 20 50 EFGDRM C[C@]1(C(=O)NNc2cc(C(=O)[O-])ccc2Br)C=CCC1 ZINC001593755189 996402564 /nfs/dbraw/zinc/40/25/64/996402564.db2.gz NFWPCHXUFHWXHF-AWEZNQCLSA-N -1 0 339.189 2.947 20 50 EFGDRM C[C@]1(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CCc2ccccc21 ZINC001593755712 996404371 /nfs/dbraw/zinc/40/43/71/996404371.db2.gz VYZYQEACHAUMNL-SFHVURJKSA-N -1 0 328.343 2.871 20 50 EFGDRM C[C@]1(C(=O)NNc2cc(C(=O)[O-])ccc2Br)CC1(F)F ZINC001593755864 996405247 /nfs/dbraw/zinc/40/52/47/996405247.db2.gz XZJKRFJCZXOAIC-LLVKDONJSA-N -1 0 349.131 2.636 20 50 EFGDRM C[C@@]1(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)C[C@@H]1Br ZINC001593761341 996420668 /nfs/dbraw/zinc/42/06/68/996420668.db2.gz GUSPZIYKYFOZEC-PWCHPLFNSA-N -1 0 345.218 2.831 20 50 EFGDRM CC1(C)C[C@@H](NC(=O)NNc2ccc(C(=O)[O-])cc2F)CCS1 ZINC001593859561 996649760 /nfs/dbraw/zinc/64/97/60/996649760.db2.gz YNNJCTNQFXBBQR-JTQLQIEISA-N -1 0 341.408 2.824 20 50 EFGDRM CC1(C)CC[C@H](CCNC(=O)NNc2cccc(C(=O)[O-])c2)OC1 ZINC001593877006 996699101 /nfs/dbraw/zinc/69/91/01/996699101.db2.gz TVNCEJVRPPLUQC-CQSZACIVSA-N -1 0 335.404 2.606 20 50 EFGDRM CC(C)(CCl)CS(=O)(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593899471 996764299 /nfs/dbraw/zinc/76/42/99/996764299.db2.gz LJFMEBCIEPXMLN-CQSZACIVSA-N -1 0 339.885 2.594 20 50 EFGDRM COc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2F)c(Cl)c1 ZINC001599483710 996809509 /nfs/dbraw/zinc/80/95/09/996809509.db2.gz GPPZQFMLIZOEOT-UHFFFAOYSA-N -1 0 338.722 2.943 20 50 EFGDRM COc1cc(C)ccc1CNC(=O)NNc1cccc(C(=O)[O-])c1C ZINC001599393100 997075067 /nfs/dbraw/zinc/07/50/67/997075067.db2.gz DDKANUFUNDAYIQ-UHFFFAOYSA-N -1 0 343.383 2.837 20 50 EFGDRM COc1cc(C)ccc1NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599393396 997080003 /nfs/dbraw/zinc/08/00/03/997080003.db2.gz KUXUONKWXXGKSV-UHFFFAOYSA-N -1 0 333.319 2.990 20 50 EFGDRM CC1(C)COc2c1cccc2C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001593961330 997091674 /nfs/dbraw/zinc/09/16/74/997091674.db2.gz 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997514383 /nfs/dbraw/zinc/51/43/83/997514383.db2.gz BFENDRVARIBKCO-UHFFFAOYSA-N -1 0 342.193 2.574 20 50 EFGDRM C[C@]1(CNC(=O)NNc2cccc(C(=O)[O-])c2)CCOC2(CCC2)C1 ZINC001594020300 997526978 /nfs/dbraw/zinc/52/69/78/997526978.db2.gz MAMNIMHZCFXRGV-KRWDZBQOSA-N -1 0 347.415 2.750 20 50 EFGDRM COc1cc(Cl)ccc1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599420710 997590456 /nfs/dbraw/zinc/59/04/56/997590456.db2.gz PYURDHNDDFQHBR-UHFFFAOYSA-N -1 0 338.722 2.943 20 50 EFGDRM COc1cc(F)cc(NNC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599425683 997671345 /nfs/dbraw/zinc/67/13/45/997671345.db2.gz JICOOKQCQHXIQA-UHFFFAOYSA-N -1 0 338.722 2.943 20 50 EFGDRM COc1c(F)ccc(F)c1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001599335460 997827285 /nfs/dbraw/zinc/82/72/85/997827285.db2.gz IRGQEEPTHVDUEZ-UHFFFAOYSA-N -1 0 340.257 2.568 20 50 EFGDRM COc1cc(NC(=O)NNc2cccc(C(=O)[O-])c2C)cc(OC)c1 ZINC001599440157 997916811 /nfs/dbraw/zinc/91/68/11/997916811.db2.gz MZSUIJUAWMPINB-UHFFFAOYSA-N -1 0 345.355 2.859 20 50 EFGDRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001594076932 997951937 /nfs/dbraw/zinc/95/19/37/997951937.db2.gz RBPRIFIPVCWUAH-RDTXWAMCSA-N -1 0 343.358 2.880 20 50 EFGDRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001594076928 997952722 /nfs/dbraw/zinc/95/27/22/997952722.db2.gz RBPRIFIPVCWUAH-KBXCAEBGSA-N -1 0 343.358 2.880 20 50 EFGDRM COc1ccc(C[C@@H](C)C(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001599550623 998001157 /nfs/dbraw/zinc/00/11/57/998001157.db2.gz PICKORGWBVIYAZ-LLVKDONJSA-N -1 0 346.358 2.854 20 50 EFGDRM COc1cc(C(=O)NNc2cccc(C(=O)[O-])c2)ccc1OC(C)C ZINC001599355405 998170189 /nfs/dbraw/zinc/17/01/89/998170189.db2.gz RKSVVZKAJZNNFX-UHFFFAOYSA-N -1 0 344.367 2.938 20 50 EFGDRM COCCOc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001599259503 998361894 /nfs/dbraw/zinc/36/18/94/998361894.db2.gz VQSUCCNLYJIIGG-UHFFFAOYSA-N -1 0 345.355 2.559 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001599376542 998495425 /nfs/dbraw/zinc/49/54/25/998495425.db2.gz PCHDMWFTUPVISL-UHFFFAOYSA-N -1 0 339.351 2.940 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001599376566 998496630 /nfs/dbraw/zinc/49/66/30/998496630.db2.gz VLBJXYVSSCWERA-UONOGXRCSA-N -1 0 344.342 2.779 20 50 EFGDRM CO[C@](C)(C(=O)NNc1ccc(C)c(C(=O)[O-])c1)c1ccccc1F ZINC001599032384 999059718 /nfs/dbraw/zinc/05/97/18/999059718.db2.gz ZOKHBTPWGIZVRH-SFHVURJKSA-N -1 0 346.358 2.837 20 50 EFGDRM C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)[O-])o1 ZINC001594367376 999388513 /nfs/dbraw/zinc/38/85/13/999388513.db2.gz UXBIJYKXOZSSPH-QRDNUGEJSA-N -1 0 328.368 2.979 20 50 EFGDRM O=C([O-])c1cn(CC(=O)NNc2cccc(F)c2F)c2ccccc12 ZINC000833120099 600781984 /nfs/dbraw/zinc/78/19/84/600781984.db2.gz NUCXRSXIEBEUNG-UHFFFAOYSA-N -1 0 345.305 2.761 20 50 EFGDRM CCCc1c(C(=O)NNc2ccc(Cl)nc2)[nH]c(C)c1C(=O)[O-] ZINC000829556519 600813831 /nfs/dbraw/zinc/81/38/31/600813831.db2.gz OJHMIVBGSBSBHZ-UHFFFAOYSA-N -1 0 336.779 2.779 20 50 EFGDRM O=C([O-])c1cn(CC(=O)NNc2ccc(Cl)nc2)c2ccccc12 ZINC000833119352 600814153 /nfs/dbraw/zinc/81/41/53/600814153.db2.gz AVGZAENBDBSIIB-UHFFFAOYSA-N -1 0 344.758 2.531 20 50 EFGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNc2ccc(Br)cc2)C1 ZINC000833185450 601209304 /nfs/dbraw/zinc/20/93/04/601209304.db2.gz XCDNGCAWVFNPNM-UWVGGRQHSA-N -1 0 341.205 2.783 20 50 EFGDRM CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)[O-])[nH]2)cc1 ZINC000830080470 601330813 /nfs/dbraw/zinc/33/08/13/601330813.db2.gz MVXRUEWEQTZWOF-LUAWRHEFSA-N -1 0 325.324 2.657 20 50 EFGDRM O=C([O-])NNC(=O)Nc1cc(Br)c(F)cc1Cl ZINC000833280401 601340330 /nfs/dbraw/zinc/34/03/30/601340330.db2.gz HTIKSFBZACANBC-UHFFFAOYSA-N -1 0 326.509 2.546 20 50 EFGDRM CCCCC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)[O-] ZINC000829340830 601404935 /nfs/dbraw/zinc/40/49/35/601404935.db2.gz UHKNIEYEWKTWBY-AWEZNQCLSA-N -1 0 347.864 2.780 20 50 EFGDRM CCCCC[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)[O-] ZINC000829340833 601405029 /nfs/dbraw/zinc/40/50/29/601405029.db2.gz UHKNIEYEWKTWBY-CQSZACIVSA-N -1 0 347.864 2.780 20 50 EFGDRM Cc1cccc(O[C@H](C)C(=O)NN[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000832972592 601453759 /nfs/dbraw/zinc/45/37/59/601453759.db2.gz FUIOWWRYYCRIPC-RHSMWYFYSA-N -1 0 342.395 2.517 20 50 EFGDRM Cc1cccc(O[C@@H](C)C(=O)NN[C@H](C(=O)[O-])c2ccccc2)c1C ZINC000832972596 601453888 /nfs/dbraw/zinc/45/38/88/601453888.db2.gz FUIOWWRYYCRIPC-YOEHRIQHSA-N -1 0 342.395 2.517 20 50 EFGDRM CCc1noc(CC)c1CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000830348332 601677478 /nfs/dbraw/zinc/67/74/78/601677478.db2.gz YIMTWWIZSBRHNL-UHFFFAOYSA-N -1 0 348.311 2.554 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)c1C ZINC000829580091 601706617 /nfs/dbraw/zinc/70/66/17/601706617.db2.gz PRZFIKPXGULPMM-MIVLJKPOSA-N -1 0 343.427 2.601 20 50 EFGDRM CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C)C(=O)[O-] ZINC000828906928 601753473 /nfs/dbraw/zinc/75/34/73/601753473.db2.gz MYDZOFILNGKUAO-YMDFIQGPSA-N -1 0 331.416 2.647 20 50 EFGDRM COc1ccc(NNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC000832413340 601756457 /nfs/dbraw/zinc/75/64/57/601756457.db2.gz RBZPWGXFUBVKII-UHFFFAOYSA-N -1 0 344.367 2.532 20 50 EFGDRM O=C([O-])c1cc(OC(=O)c2ccn(C3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000833353486 602126649 /nfs/dbraw/zinc/12/66/49/602126649.db2.gz LYSICYLSGMNQQH-UHFFFAOYSA-N -1 0 345.311 2.824 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2CC(=O)[O-])c1C ZINC000829580070 604579358 /nfs/dbraw/zinc/57/93/58/604579358.db2.gz PRALCKQLCIJMCJ-LPPOOGIUSA-N -1 0 343.427 2.888 20 50 EFGDRM CC(=NNC(=O)CNc1ccc(C)cc1)c1ccc(C(=O)[O-])cc1 ZINC000825798442 604636138 /nfs/dbraw/zinc/63/61/38/604636138.db2.gz JKYZSZXTTKVWGV-UHFFFAOYSA-N -1 0 325.368 2.646 20 50 EFGDRM Cc1c(NC(=O)NNc2cccc([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC000833742743 604723420 /nfs/dbraw/zinc/72/34/20/604723420.db2.gz YDDPFYUYWFALBV-UHFFFAOYSA-N -1 0 330.300 2.750 20 50 EFGDRM COc1cc(F)cc(NNC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000833729655 604794711 /nfs/dbraw/zinc/79/47/11/604794711.db2.gz RYSQZZVGIVHBQY-UHFFFAOYSA-N -1 0 332.331 2.608 20 50 EFGDRM CC(C)(Oc1ccc(Cl)cc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833462769 604800238 /nfs/dbraw/zinc/80/02/38/604800238.db2.gz IQCZPNJWQHSYFN-UHFFFAOYSA-N -1 0 349.774 2.734 20 50 EFGDRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833607346 604803001 /nfs/dbraw/zinc/80/30/01/604803001.db2.gz ZRXHVKAHJAYTOR-SNPRPXQTSA-N -1 0 349.431 2.700 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNC(=O)CCC2CCCCC2)cc1F ZINC000833096523 604820189 /nfs/dbraw/zinc/82/01/89/604820189.db2.gz OJEKPAJCDQOUEL-UHFFFAOYSA-N -1 0 336.363 2.645 20 50 EFGDRM COC1CCC(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000833718356 604836969 /nfs/dbraw/zinc/83/69/69/604836969.db2.gz ABUSHZIQMLEOTM-UHFFFAOYSA-N -1 0 337.328 2.794 20 50 EFGDRM CC(C)(C)OCc1ccccc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833445673 605015341 /nfs/dbraw/zinc/01/53/41/605015341.db2.gz KKBWXNLGFRCAQL-UHFFFAOYSA-N -1 0 343.383 2.852 20 50 EFGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)C(C)(C)c1ccccc1 ZINC000833406869 605039966 /nfs/dbraw/zinc/03/99/66/605039966.db2.gz KMNLPUAOHYFSRI-CYBMUJFWSA-N -1 0 327.384 2.562 20 50 EFGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)NCc1ccc(Cl)cc1 ZINC000833406218 605040029 /nfs/dbraw/zinc/04/00/29/605040029.db2.gz LUJIWGXUYKJCCK-NSHDSACASA-N -1 0 348.790 2.620 20 50 EFGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)CCCc1cccs1 ZINC000833406815 605040063 /nfs/dbraw/zinc/04/00/63/605040063.db2.gz JLLVXMBNNUJGPU-LBPRGKRZSA-N -1 0 333.413 2.668 20 50 EFGDRM CCc1[nH]c(C(=O)NN=c2ccc3ccccc3[nH]2)c(C)c1C(=O)[O-] ZINC000833667928 605236428 /nfs/dbraw/zinc/23/64/28/605236428.db2.gz MMNNMMZCBGTCOS-UHFFFAOYSA-N -1 0 338.367 2.889 20 50 EFGDRM CC(C)Cn1cc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000833494995 605243983 /nfs/dbraw/zinc/24/39/83/605243983.db2.gz VVERIKQCKKGVOT-UHFFFAOYSA-N -1 0 336.779 2.648 20 50 EFGDRM C#CCOc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833366210 605244854 /nfs/dbraw/zinc/24/48/54/605244854.db2.gz LRZWPPNNEBHEDL-UHFFFAOYSA-N -1 0 344.754 2.807 20 50 EFGDRM CC(=NNC(=O)CCc1ccccc1)c1ccccc1OCC(=O)[O-] ZINC000833384886 605326371 /nfs/dbraw/zinc/32/63/71/605326371.db2.gz OUKXRDCKGYGEIC-UHFFFAOYSA-N -1 0 340.379 2.623 20 50 EFGDRM CCCc1c(C(=O)NNc2cc(Cl)ccn2)[nH]c(C)c1C(=O)[O-] ZINC000833652806 605410290 /nfs/dbraw/zinc/41/02/90/605410290.db2.gz HSXYYHTUWRRWQC-UHFFFAOYSA-N -1 0 336.779 2.779 20 50 EFGDRM CC(=O)Nc1cc(NC(=O)NNc2cccc(C(=O)[O-])c2)ccc1C ZINC000833398434 605706723 /nfs/dbraw/zinc/70/67/23/605706723.db2.gz HVDLPWLYKLWJLA-UHFFFAOYSA-N -1 0 342.355 2.800 20 50 EFGDRM CCCCn1ncc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1C ZINC000833651763 605715729 /nfs/dbraw/zinc/71/57/29/605715729.db2.gz YWNIMADADLFVLC-UHFFFAOYSA-N -1 0 331.376 2.838 20 50 EFGDRM COc1ccc(CCC(=O)NNc2cccc(C(=O)[O-])c2)cc1F ZINC000833731502 605738615 /nfs/dbraw/zinc/73/86/15/605738615.db2.gz GLMKXAJCNWDPAP-UHFFFAOYSA-N -1 0 332.331 2.608 20 50 EFGDRM C[C@@H]1CCCC[C@@H]1OCCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833612656 605741564 /nfs/dbraw/zinc/74/15/64/605741564.db2.gz PZAGQJRMEBNLSU-DOMZBBRYSA-N -1 0 335.404 2.606 20 50 EFGDRM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833422384 605742844 /nfs/dbraw/zinc/74/28/44/605742844.db2.gz FRUQMPZUUYENPK-ZFWWWQNUSA-N -1 0 349.431 2.852 20 50 EFGDRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833573817 605743722 /nfs/dbraw/zinc/74/37/22/605743722.db2.gz NGKHFHQAAKOMLK-QAPCUYQASA-N -1 0 325.368 2.741 20 50 EFGDRM CCc1nc([C@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2)cs1 ZINC000833673034 605744786 /nfs/dbraw/zinc/74/47/86/605744786.db2.gz HIWGOJFLOWNMFR-VIFPVBQESA-N -1 0 334.401 2.791 20 50 EFGDRM COc1cccc2c1CC[C@@H]2NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833735425 605747341 /nfs/dbraw/zinc/74/73/41/605747341.db2.gz AJEHNFOFORGWBY-HNNXBMFYSA-N -1 0 341.367 2.707 20 50 EFGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000833522194 605748090 /nfs/dbraw/zinc/74/80/90/605748090.db2.gz YSFMBIGDDJTNJZ-JTQLQIEISA-N -1 0 344.327 2.680 20 50 EFGDRM CC(C)(C)[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CCO1 ZINC000833428166 605748201 /nfs/dbraw/zinc/74/82/01/605748201.db2.gz VDFSSCYWCYKOES-OCCSQVGLSA-N -1 0 335.404 2.605 20 50 EFGDRM CCC(CC)[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CCO1 ZINC000833642320 605749411 /nfs/dbraw/zinc/74/94/11/605749411.db2.gz KXNIOXVJMQFNQS-HOCLYGCPSA-N -1 0 349.431 2.995 20 50 EFGDRM C[C@@H](Sc1ccccc1C(=O)NNc1ccnc(F)c1)C(=O)[O-] ZINC000833546426 605855919 /nfs/dbraw/zinc/85/59/19/605855919.db2.gz RZPZWVMQGSGFIB-SECBINFHSA-N -1 0 335.360 2.543 20 50 EFGDRM O=C(CCc1cccc(Cl)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409301 1428209097 /nfs/dbraw/zinc/20/90/97/1428209097.db2.gz QTVDZQBOFLAJIZ-UHFFFAOYSA-N -1 0 342.790 2.596 20 50 EFGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(C#N)c1 ZINC000826379263 1429184906 /nfs/dbraw/zinc/18/49/06/1429184906.db2.gz NMEJNTGUJKSKQU-LZYBPNLTSA-N -1 0 326.319 2.528 20 50 EFGDRM N#CC(=Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379640 1429202195 /nfs/dbraw/zinc/20/21/95/1429202195.db2.gz XSPOGHPHTKOTMA-AUWJEWJLSA-N -1 0 346.306 2.565 20 50 EFGDRM C[C@]1(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CCCc2ccccc21 ZINC000824783755 1429320037 /nfs/dbraw/zinc/32/00/37/1429320037.db2.gz JUHCKNSIEGBPLN-IBGZPJMESA-N -1 0 348.410 2.604 20 50 EFGDRM CCc1sc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825783148 1429493577 /nfs/dbraw/zinc/49/35/77/1429493577.db2.gz ZXPHEPAZXGSHDP-UHFFFAOYSA-N -1 0 328.401 2.556 20 50 EFGDRM N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379681 1429750602 /nfs/dbraw/zinc/75/06/02/1429750602.db2.gz YOPNZPPKFDEPLC-ZSOIEALJSA-N -1 0 346.306 2.565 20 50 EFGDRM C=C[C@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883229 1424773979 /nfs/dbraw/zinc/77/39/79/1424773979.db2.gz LQGCSFGYFPNACZ-CYBMUJFWSA-N -1 0 334.383 2.670 20 50 EFGDRM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826290507 1425172879 /nfs/dbraw/zinc/17/28/79/1425172879.db2.gz ORFLUZFUHKBEEP-JYRVWZFOSA-N -1 0 348.341 2.860 20 50 EFGDRM CC(C)(C)c1ccc(NNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000824135356 1425312052 /nfs/dbraw/zinc/31/20/52/1425312052.db2.gz DMCFSDOKKJLHOP-UHFFFAOYSA-N -1 0 342.428 2.983 20 50 EFGDRM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)n1C(C)C ZINC000826259875 1425614847 /nfs/dbraw/zinc/61/48/47/1425614847.db2.gz KMPBSINCXHMNBQ-UHFFFAOYSA-N -1 0 339.403 2.623 20 50 EFGDRM CC[C@@H]1CCC[C@H](C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825192333 1425853318 /nfs/dbraw/zinc/85/33/18/1425853318.db2.gz GLIPKYRZSSYYTI-OLZOCXBDSA-N -1 0 326.404 2.799 20 50 EFGDRM CCc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825711483 1425942383 /nfs/dbraw/zinc/94/23/83/1425942383.db2.gz CJIMVXANFGGDDX-UHFFFAOYSA-N -1 0 337.387 2.886 20 50 EFGDRM N#CC(=Cc1cccc(F)c1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379274 1426278894 /nfs/dbraw/zinc/27/88/94/1426278894.db2.gz NRAVWBBOUHWMQE-NTUHNPAUSA-N -1 0 337.289 2.935 20 50 EFGDRM CC[C@@H]1CCC[C@@H](C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825195755 1426538732 /nfs/dbraw/zinc/53/87/32/1426538732.db2.gz YRCGHDFXPPLIMM-CHWSQXEVSA-N -1 0 326.404 2.799 20 50 EFGDRM O=C(CCc1cccc(Cl)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409455 1426924399 /nfs/dbraw/zinc/92/43/99/1426924399.db2.gz ZSVRMGTXCDYTGE-UHFFFAOYSA-N -1 0 342.790 2.596 20 50 EFGDRM Cc1ccc(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826287345 1426979206 /nfs/dbraw/zinc/97/92/06/1426979206.db2.gz LEIGFCKMFDZZGO-UHFFFAOYSA-N -1 0 336.399 2.559 20 50 EFGDRM O=C(NNc1c(Cl)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000823280612 1427012015 /nfs/dbraw/zinc/01/20/15/1427012015.db2.gz DHLHEVWEFLHFFB-UHFFFAOYSA-N -1 0 349.181 2.930 20 50 EFGDRM Cc1ccccc1C(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737414945 1427110843 /nfs/dbraw/zinc/11/08/43/1427110843.db2.gz IKVAORSKVDGDHR-UHFFFAOYSA-N -1 0 346.394 2.719 20 50 EFGDRM O=C(CCC=Cc1ccccc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826405804 1428203156 /nfs/dbraw/zinc/20/31/56/1428203156.db2.gz UNZNORWVKMDYIF-WTKPLQERSA-N -1 0 334.383 2.803 20 50 EFGDRM C[C@@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000824384481 1430116434 /nfs/dbraw/zinc/11/64/34/1430116434.db2.gz CJHWBRSDIYDWMJ-NSHDSACASA-N -1 0 340.362 2.643 20 50 EFGDRM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1ccccc1F ZINC000822796802 1430153801 /nfs/dbraw/zinc/15/38/01/1430153801.db2.gz ZEPWIARJRPNSOB-UITAMQMPSA-N -1 0 340.343 2.613 20 50 EFGDRM Cc1ccc(CCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826287540 1441446435 /nfs/dbraw/zinc/44/64/35/1441446435.db2.gz STGUZLYUYKWOSC-UHFFFAOYSA-N -1 0 342.428 2.703 20 50 EFGDRM O=C(NN=Cc1ccccc1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273124 1441824015 /nfs/dbraw/zinc/82/40/15/1441824015.db2.gz FFPPQUMYXOLLHK-UHFFFAOYSA-N -1 0 332.367 2.508 20 50 EFGDRM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1cccc(C#N)c1 ZINC000826379521 1441830814 /nfs/dbraw/zinc/83/08/14/1441830814.db2.gz UJKUZZUQPRCRJX-LFYBBSHMSA-N -1 0 332.348 2.590 20 50 EFGDRM Cc1[nH]c2c(cccc2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826232919 1441869275 /nfs/dbraw/zinc/86/92/75/1441869275.db2.gz NCERQQNLXWBWRQ-UHFFFAOYSA-N -1 0 347.382 2.722 20 50 EFGDRM CCCC[C@@H]1CCC[C@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736440540 1442208013 /nfs/dbraw/zinc/20/80/13/1442208013.db2.gz DANQNIMOLWJTMQ-IUODEOHRSA-N -1 0 343.435 2.852 20 50 EFGDRM CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825180870 1442301157 /nfs/dbraw/zinc/30/11/57/1442301157.db2.gz BBRKWUXVAZHRAZ-NEPJUHHUSA-N -1 0 326.404 2.799 20 50 EFGDRM CC1(C)CCC[C@@H](C(=O)NNc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000824803520 1443066142 /nfs/dbraw/zinc/06/61/42/1443066142.db2.gz VRKLFMAMPWZJTQ-SECBINFHSA-N -1 0 349.826 2.575 20 50 EFGDRM C[C@H](C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824385056 1443172457 /nfs/dbraw/zinc/17/24/57/1443172457.db2.gz KOMAFGPJMMXFOW-LLVKDONJSA-N -1 0 338.346 2.525 20 50 EFGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)c1ccc(Cl)s1 ZINC000826378886 1443290306 /nfs/dbraw/zinc/29/03/06/1443290306.db2.gz 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ZINC000826323747 1446379625 /nfs/dbraw/zinc/37/96/25/1446379625.db2.gz PUNJYHSEPDPFGM-UHFFFAOYSA-N -1 0 343.416 2.512 20 50 EFGDRM COCc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826164898 1446712067 /nfs/dbraw/zinc/71/20/67/1446712067.db2.gz WGKGJMUJLUOXJK-MFOYZWKCSA-N -1 0 345.362 2.803 20 50 EFGDRM CC(=Cc1ccc(C)cc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823943113 1446842034 /nfs/dbraw/zinc/84/20/34/1446842034.db2.gz NNWUXEMQKSNCQE-RAXLEYEMSA-N -1 0 334.383 2.722 20 50 EFGDRM COc1ccc(C=C(C#N)C(=O)c2ccoc2C)cc1-c1nn[n-]n1 ZINC000737075023 1449816334 /nfs/dbraw/zinc/81/63/34/1449816334.db2.gz ILLXJJGTXKRYHW-GHXNOFRVSA-N -1 0 335.323 2.567 20 50 EFGDRM O=C(CCc1cc(Cl)cs1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408067 1449984764 /nfs/dbraw/zinc/98/47/64/1449984764.db2.gz OIWBCIZXSVZDET-UHFFFAOYSA-N -1 0 348.819 2.658 20 50 EFGDRM O=C(NNc1ccccc1Oc1ccccc1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601561371 971016824 /nfs/dbraw/zinc/01/68/24/971016824.db2.gz CXRRPVHWQNSTID-BETUJISGSA-N -1 0 341.367 2.968 20 50 EFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@@H](C)CC2CCCC2)o1 ZINC000735986992 944731782 /nfs/dbraw/zinc/73/17/82/944731782.db2.gz VPZODIWQGGIPAO-JTQLQIEISA-N -1 0 347.423 2.638 20 50 EFGDRM O=C([O-])Cn1cccc1C=NNC(=O)c1c(Cl)cccc1Cl ZINC001602166377 971160335 /nfs/dbraw/zinc/16/03/35/971160335.db2.gz QNIFULRFOFVWBB-UHFFFAOYSA-N -1 0 340.166 2.643 20 50 EFGDRM C[C@H]1CCC[C@@H](CC(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)C1 ZINC000824925143 946992900 /nfs/dbraw/zinc/99/29/00/946992900.db2.gz AWPKVAKNIKHJOH-VHSXEESVSA-N -1 0 349.826 2.575 20 50 EFGDRM O=C([O-])c1cccc(C(=O)NNc2ccc(C(F)(F)F)cn2)c1 ZINC001595241183 949456335 /nfs/dbraw/zinc/45/63/35/949456335.db2.gz BEQAYJOTGCPQDY-UHFFFAOYSA-N -1 0 325.246 2.556 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1cccc(C(F)(F)F)c1F ZINC001595261574 949672391 /nfs/dbraw/zinc/67/23/91/949672391.db2.gz DZQMHBIHTQOWEA-UHFFFAOYSA-N -1 0 343.236 2.695 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001595261829 949674703 /nfs/dbraw/zinc/67/47/03/949674703.db2.gz JWYLAHMODRBKNI-HUUCEWRRSA-N -1 0 339.395 2.882 20 50 EFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCCC(=O)[O-])c1C ZINC001589666841 949897388 /nfs/dbraw/zinc/89/73/88/949897388.db2.gz CIOOLZFZXBFZQD-LFIBNONCSA-N -1 0 331.416 2.793 20 50 EFGDRM O=C([O-])CC1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CCC1 ZINC001594976467 950918555 /nfs/dbraw/zinc/91/85/55/950918555.db2.gz SJQUNNJDUUHMQR-UHFFFAOYSA-N -1 0 332.278 2.673 20 50 EFGDRM O=C([O-])CC1(C(=O)Oc2ccc([N+](=O)[O-])c3ncccc23)CCC1 ZINC001594978002 950947680 /nfs/dbraw/zinc/94/76/80/950947680.db2.gz DBHSVFCVPWAATD-UHFFFAOYSA-N -1 0 330.296 2.693 20 50 EFGDRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NNc2cc(Cl)ccc2Cl)CO1 ZINC001595004594 951182067 /nfs/dbraw/zinc/18/20/67/951182067.db2.gz KPHBQPYSOVSQKN-WCBMZHEXSA-N -1 0 347.198 2.706 20 50 EFGDRM O=C([O-])c1ccc(NC(=O)NNc2cc(F)ccc2F)c(F)c1 ZINC001594779688 953617412 /nfs/dbraw/zinc/61/74/12/953617412.db2.gz BRHUNSLQCAAAMP-UHFFFAOYSA-N -1 0 325.246 2.951 20 50 EFGDRM O=C([O-])[C@H]1C[C@@H](NC(=O)NNc2cc(F)ccc2F)c2ccccc21 ZINC001594779670 953617570 /nfs/dbraw/zinc/61/75/70/953617570.db2.gz BMOVVHNMWXLRMK-GXTWGEPZSA-N -1 0 347.321 2.904 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(-c2ccccc2F)o1 ZINC001594781292 953631577 /nfs/dbraw/zinc/63/15/77/953631577.db2.gz KGBFBCHBUVLXAI-UHFFFAOYSA-N -1 0 341.298 2.936 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1ccccc1-c1ccncc1 ZINC001594781856 953638421 /nfs/dbraw/zinc/63/84/21/953638421.db2.gz VTBAUMFZUBLRLT-UHFFFAOYSA-N -1 0 334.335 2.599 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Nc1ccc(OC(F)F)cc1 ZINC001594782238 953642909 /nfs/dbraw/zinc/64/29/09/953642909.db2.gz UGYBUHXBNFEXBS-UHFFFAOYSA-N -1 0 338.270 2.530 20 50 EFGDRM O=C([O-])c1cccc(NC(=O)NNc2ccnc(C(F)(F)F)c2)c1 ZINC001594782307 953644553 /nfs/dbraw/zinc/64/45/53/953644553.db2.gz XHXRMXXNBFLAAD-UHFFFAOYSA-N -1 0 340.261 2.947 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)N[C@H](C(F)F)C1CCCCC1 ZINC001594782292 953644560 /nfs/dbraw/zinc/64/45/60/953644560.db2.gz WENATRHBXFYROV-NSHDSACASA-N -1 0 342.346 2.620 20 50 EFGDRM O=C([O-])c1ccnc(NC(=O)NNc2ccccc2C(F)(F)F)c1 ZINC001594782353 953645851 /nfs/dbraw/zinc/64/58/51/953645851.db2.gz ZNGHAMULRMEBPX-UHFFFAOYSA-N -1 0 340.261 2.947 20 50 EFGDRM O=C([O-])[C@]1(C(=O)NNc2ccccc2OC(F)(F)F)CC=CCC1 ZINC001594868070 954323651 /nfs/dbraw/zinc/32/36/51/954323651.db2.gz XYPIBHCONHPFHM-CQSZACIVSA-N -1 0 344.289 2.839 20 50 EFGDRM CCC(CC)(C(=O)[O-])C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12 ZINC001589484524 954991699 /nfs/dbraw/zinc/99/16/99/954991699.db2.gz WEYUUPAPQQDLHX-UHFFFAOYSA-N -1 0 332.312 2.939 20 50 EFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](C)C(=O)[O-])c1C ZINC000737002918 955218012 /nfs/dbraw/zinc/21/80/12/955218012.db2.gz DANZTQNNOJHQDN-GFQQVXNGSA-N -1 0 331.416 2.649 20 50 EFGDRM O=C([O-])CSCC(=O)NNc1c(Cl)cc(Cl)cc1Cl ZINC000740485244 955260036 /nfs/dbraw/zinc/26/00/36/955260036.db2.gz BRKHTPVSRLMOIX-UHFFFAOYSA-N -1 0 343.619 2.908 20 50 EFGDRM N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)c1cccc2c1OCCO2 ZINC000774133378 955325907 /nfs/dbraw/zinc/32/59/07/955325907.db2.gz DAGLCQMFISZVAX-GXDHUFHOSA-N -1 0 335.315 2.946 20 50 EFGDRM O=C([O-])C1CCC(NC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)CC1 ZINC000776635453 955330988 /nfs/dbraw/zinc/33/09/88/955330988.db2.gz IJZIHCXTJAEHTE-SPINMFOVSA-N -1 0 344.249 2.700 20 50 EFGDRM Cc1ccc(NC(=S)NNC(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC000821093552 955489988 /nfs/dbraw/zinc/48/99/88/955489988.db2.gz VDQJDOCHWDLONI-UHFFFAOYSA-N -1 0 343.408 2.633 20 50 EFGDRM O=C([O-])c1cccc(CNC(=O)NNC(=O)CCC2CCCCC2)c1 ZINC000821374684 955500391 /nfs/dbraw/zinc/50/03/91/955500391.db2.gz HKZFTOJBCBVWBO-UHFFFAOYSA-N -1 0 347.415 2.576 20 50 EFGDRM O=C([O-])c1cccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1 ZINC000821549658 955519485 /nfs/dbraw/zinc/51/94/85/955519485.db2.gz NAUAHBBUXQOOOA-UHFFFAOYSA-N -1 0 334.335 2.599 20 50 EFGDRM C[C@@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)CC[C@H]1C(=O)[O-] ZINC000823341313 955528630 /nfs/dbraw/zinc/52/86/30/955528630.db2.gz YZHLFZPPFUAHMY-VNUHZKFNSA-N -1 0 344.249 2.509 20 50 EFGDRM O=C([O-])C1(CNC(=O)NNc2ccccc2C(F)(F)F)CCC1 ZINC000851653726 955799109 /nfs/dbraw/zinc/79/91/09/955799109.db2.gz YSTQJEVBJTWTBE-UHFFFAOYSA-N -1 0 331.294 2.586 20 50 EFGDRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589080482 955845532 /nfs/dbraw/zinc/84/55/32/955845532.db2.gz AILFRFOUZGMHNV-JTQLQIEISA-N -1 0 333.775 2.755 20 50 EFGDRM C[C@H](Cc1cccc(Cl)c1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589080483 955845783 /nfs/dbraw/zinc/84/57/83/955845783.db2.gz AILFRFOUZGMHNV-SNVBAGLBSA-N -1 0 333.775 2.755 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000852959053 955896456 /nfs/dbraw/zinc/89/64/56/955896456.db2.gz DBALMLBKFQZSMH-XHDPSFHLSA-N -1 0 342.233 2.912 20 50 EFGDRM CC(C)c1ccc(C(=O)NNc2ncccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001603100474 972175986 /nfs/dbraw/zinc/17/59/86/972175986.db2.gz KURCZSORXLJKQW-UHFFFAOYSA-N -1 0 344.327 2.568 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000902858909 956828620 /nfs/dbraw/zinc/82/86/20/956828620.db2.gz AZUUSEMHPZZOAY-GHMZBOCLSA-N -1 0 346.196 2.877 20 50 EFGDRM N#CC(=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C(N)=C(C#N)C#N ZINC000000904593 956862661 /nfs/dbraw/zinc/86/26/61/956862661.db2.gz ZDKYMNFOPYBKJT-QPEQYQDCSA-N -1 0 330.303 2.812 20 50 EFGDRM N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000006209549 956875263 /nfs/dbraw/zinc/87/52/63/956875263.db2.gz KHLTZVOOKWXOTC-GXDHUFHOSA-N -1 0 338.367 2.532 20 50 EFGDRM COc1ccc(N(C(C)=O)c2nc(/C=C(\C#N)C(=O)[O-])cs2)cc1 ZINC000036318581 957228368 /nfs/dbraw/zinc/22/83/68/957228368.db2.gz CRRLVDNKEXAQLF-YRNVUSSQSA-N -1 0 343.364 2.828 20 50 EFGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)c2cccc3ccccc32)c1 ZINC001594288173 957793888 /nfs/dbraw/zinc/79/38/88/957793888.db2.gz BRPFIIMLNURZIP-UHFFFAOYSA-N -1 0 348.358 2.921 20 50 EFGDRM C[C@]1(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])C[C@H]1Br ZINC001339926392 957902299 /nfs/dbraw/zinc/90/22/99/957902299.db2.gz OUYXAELKJHOKLA-MISXGVKJSA-N -1 0 347.253 2.589 20 50 EFGDRM Cc1cc2ccc(Cl)cc2[nH]c1=NNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001594332283 958236448 /nfs/dbraw/zinc/23/64/48/958236448.db2.gz POXWOXQRSFDNCD-ZDUSSCGKSA-N -1 0 333.775 2.751 20 50 EFGDRM Cc1cc2ccc(Cl)cc2[nH]c1=NNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001594332282 958237184 /nfs/dbraw/zinc/23/71/84/958237184.db2.gz POXWOXQRSFDNCD-CYBMUJFWSA-N -1 0 333.775 2.751 20 50 EFGDRM COc1ccc(Cl)cc1NC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001594098374 958417365 /nfs/dbraw/zinc/41/73/65/958417365.db2.gz KPDCPNRFTJGSAL-UHFFFAOYSA-N -1 0 336.735 2.590 20 50 EFGDRM CC(=Cc1ccc(Cl)cc1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001573339522 958530609 /nfs/dbraw/zinc/53/06/09/958530609.db2.gz FVVJSTNJBGBFGT-MDZDMXLPSA-N -1 0 331.759 2.980 20 50 EFGDRM Cc1ccc(SCCC(=O)NN=c2[nH]cccc2C(=O)[O-])cc1 ZINC001594377865 958606748 /nfs/dbraw/zinc/60/67/48/958606748.db2.gz KUSCSFWGTDOKFG-UHFFFAOYSA-N -1 0 331.397 2.714 20 50 EFGDRM Cc1cccc(NC(=S)NNC(=O)C2(C(=O)[O-])CCCCC2)c1C ZINC001594407766 958912728 /nfs/dbraw/zinc/91/27/28/958912728.db2.gz PNYODPSQRQQJFV-UHFFFAOYSA-N -1 0 349.456 2.656 20 50 EFGDRM Cc1ccccc1C1(C(=O)NN=c2[nH]cccc2C(=O)[O-])CCC1 ZINC001594415084 958988783 /nfs/dbraw/zinc/98/87/83/958988783.db2.gz CIHGDSYAWBMUPI-UHFFFAOYSA-N -1 0 325.368 2.653 20 50 EFGDRM Cc1ccccc1NC(=O)NNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594418067 959029843 /nfs/dbraw/zinc/02/98/43/959029843.db2.gz IUCNZBQWEXUMCB-UHFFFAOYSA-N -1 0 333.388 2.573 20 50 EFGDRM CSc1ccc(NNC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001594193226 959176082 /nfs/dbraw/zinc/17/60/82/959176082.db2.gz ATQQGZZPTPJKJB-UHFFFAOYSA-N -1 0 332.381 2.629 20 50 EFGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NN=c1[nH]cc(Cl)cc1Cl ZINC001573655844 959669840 /nfs/dbraw/zinc/66/98/40/959669840.db2.gz JHPJWOIXWHAPMN-UHFFFAOYSA-N -1 0 346.214 2.969 20 50 EFGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12 ZINC001588639320 959674035 /nfs/dbraw/zinc/67/40/35/959674035.db2.gz BFJYEOHBXHFRKX-GFCCVEGCSA-N -1 0 332.312 2.795 20 50 EFGDRM Cc1c(/C=C(/C#N)C(=O)OCc2cccc(C(=O)[O-])c2)cc(C#N)n1C ZINC001594259346 959681229 /nfs/dbraw/zinc/68/12/29/959681229.db2.gz MPPYSFFSMCNHDT-APSNUPSMSA-N -1 0 349.346 2.554 20 50 EFGDRM N#C/C(=C/c1ccc(OCC(=O)[O-])cc1)c1nc(N)c2ccccc2n1 ZINC001317847886 960913080 /nfs/dbraw/zinc/91/30/80/960913080.db2.gz QCGFQBBVAMVABL-LCYFTJDESA-N -1 0 346.346 2.740 20 50 EFGDRM Cc1cc(O[C@@H](C)C(=O)NN=c2[nH]cccc2C(=O)[O-])ccc1Cl ZINC001574343191 960946969 /nfs/dbraw/zinc/94/69/69/960946969.db2.gz ILVVOPLLXKSUAY-JTQLQIEISA-N -1 0 349.774 2.652 20 50 EFGDRM COCCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001321607546 961001972 /nfs/dbraw/zinc/00/19/72/961001972.db2.gz XIOLFZPOJNKNEM-UVTDQMKNSA-N -1 0 341.319 2.741 20 50 EFGDRM CC(C)(CC(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccc(F)cc1 ZINC001588754543 961214021 /nfs/dbraw/zinc/21/40/21/961214021.db2.gz ACUKFNRMIBWITA-UHFFFAOYSA-N -1 0 331.347 2.730 20 50 EFGDRM Cc1cccc(NC(=S)NNC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1C ZINC001574397600 961218776 /nfs/dbraw/zinc/21/87/76/961218776.db2.gz WHLHKFBDLYSWQQ-AWEZNQCLSA-N -1 0 349.456 2.512 20 50 EFGDRM CC(C)[C@H](C(=O)[O-])C(=O)NN=c1[nH]c2ccc(Cl)cc2s1 ZINC001588808837 961504033 /nfs/dbraw/zinc/50/40/33/961504033.db2.gz ZETVHPGDMOKMPH-JTQLQIEISA-N -1 0 327.793 2.750 20 50 EFGDRM CCOc1ccc(C[C@H](C)C(=O)NN=c2[nH]cccc2C(=O)[O-])cc1 ZINC001573919521 961518410 /nfs/dbraw/zinc/51/84/10/961518410.db2.gz COHPNISCNUHRTE-LBPRGKRZSA-N -1 0 343.383 2.500 20 50 EFGDRM CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC001573919558 961519749 /nfs/dbraw/zinc/51/97/49/961519749.db2.gz FJSJRUKPJDAREQ-HFQYIWAZSA-N -1 0 330.384 2.608 20 50 EFGDRM CC(C)C[C@H](CNC(=O)NNc1cc(F)cc(Cl)c1)C(=O)[O-] ZINC001588852641 961946187 /nfs/dbraw/zinc/94/61/87/961946187.db2.gz BCSUNUQJNRDREO-SECBINFHSA-N -1 0 331.775 2.852 20 50 EFGDRM CC(C)C[C@@H](CNC(=O)NNc1cccc(F)c1Cl)C(=O)[O-] ZINC001588852925 961952646 /nfs/dbraw/zinc/95/26/46/961952646.db2.gz LCRCWDPVACROAC-VIFPVBQESA-N -1 0 331.775 2.852 20 50 EFGDRM O=C([O-])C1(C(=O)NNC(=O)c2cccc3ccccc32)CCCCC1 ZINC001574578766 962092734 /nfs/dbraw/zinc/09/27/34/962092734.db2.gz OGEVOWDLPSOUMM-UHFFFAOYSA-N -1 0 340.379 2.636 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1cc2sccc2nc1Cl ZINC001574579026 962096312 /nfs/dbraw/zinc/09/63/12/962096312.db2.gz SLDUJLYKTPFBTK-UHFFFAOYSA-N -1 0 348.771 2.800 20 50 EFGDRM O=C(NNc1ccccc1Cc1ccccc1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574579307 962098896 /nfs/dbraw/zinc/09/88/96/962098896.db2.gz YYHIYTQAGIMXSY-IYBDPMFKSA-N -1 0 339.395 2.767 20 50 EFGDRM CC(C)Cc1ccc(CC(=O)NN=c2[nH]cccc2C(=O)[O-])cc1 ZINC001588906334 962280759 /nfs/dbraw/zinc/28/07/59/962280759.db2.gz ZKXJGNCOCSYPDF-UHFFFAOYSA-N -1 0 327.384 2.664 20 50 EFGDRM C=C(C)C[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C)C(=O)[O-] ZINC001573321965 962763691 /nfs/dbraw/zinc/76/36/91/962763691.db2.gz SKLNJQIZTXINPK-LPPOOGIUSA-N -1 0 343.427 2.958 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000296846859 962918943 /nfs/dbraw/zinc/91/89/43/962918943.db2.gz SPADDZDCYXMYGK-WDEREUQCSA-N -1 0 328.206 2.738 20 50 EFGDRM CC(C)C[C@H](CNC(=O)NC[C@]1(C)C[C@H]1Br)CC(=O)[O-] ZINC000857100433 969307153 /nfs/dbraw/zinc/30/71/53/969307153.db2.gz GQFKSHWUDYPJMA-WDMOLILDSA-N -1 0 349.269 2.596 20 50 EFGDRM CCOc1ccc(C(=O)NN=Cc2ccc(C(=O)[O-])cc2)cc1OC ZINC000916348102 969644750 /nfs/dbraw/zinc/64/47/50/969644750.db2.gz SSMQPPIKWIXKHN-UHFFFAOYSA-N -1 0 342.351 2.556 20 50 EFGDRM O=C([O-])c1ccc(NC(=O)NNc2ccc(F)c(F)c2)c(F)c1 ZINC001605815298 972541847 /nfs/dbraw/zinc/54/18/47/972541847.db2.gz BXNQXIIYTQXGSM-UHFFFAOYSA-N -1 0 325.246 2.951 20 50 EFGDRM Cc1cc(C(=O)CCC(=O)NN=c2[nH]cccc2C(=O)[O-])c(C)s1 ZINC001605102121 972757733 /nfs/dbraw/zinc/75/77/33/972757733.db2.gz NTOPQMFWLWLNKA-UHFFFAOYSA-N -1 0 347.396 2.564 20 50 EFGDRM O=C([O-])[C@@]1(C(=O)NNc2cccc(C(F)(F)F)c2)CC=CCC1 ZINC001605935148 972871094 /nfs/dbraw/zinc/87/10/94/972871094.db2.gz BLYJIPQSQUCDNB-AWEZNQCLSA-N -1 0 328.290 2.960 20 50 EFGDRM COC(=O)c1cccc(NNC(=O)Nc2ccccc2C(=O)[O-])c1C ZINC001604401366 973137261 /nfs/dbraw/zinc/13/72/61/973137261.db2.gz JGSSRNWHPMSVDC-UHFFFAOYSA-N -1 0 343.339 2.628 20 50 EFGDRM C[C@H]1CCc2sc(C(=O)NNc3ncccc3C(=O)[O-])cc2C1 ZINC001603439823 973220412 /nfs/dbraw/zinc/22/04/12/973220412.db2.gz QUXLJQKDVYGLIZ-VIFPVBQESA-N -1 0 331.397 2.723 20 50 EFGDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1 ZINC001603594318 973820027 /nfs/dbraw/zinc/82/00/27/973820027.db2.gz UDTXMGIJBPKLBL-RXEWJAMOSA-N -1 0 330.359 2.836 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001606528704 974038915 /nfs/dbraw/zinc/03/89/15/974038915.db2.gz OZBIIZQDNYXGGV-IUCAKERBSA-N -1 0 331.294 2.592 20 50 EFGDRM O=C([O-])c1ccc(C=CC(=O)NNc2ccnc(C(F)(F)F)c2)o1 ZINC001605660548 974062524 /nfs/dbraw/zinc/06/25/24/974062524.db2.gz WMPXWEFBLVARCO-DUXPYHPUSA-N -1 0 341.245 2.548 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1C ZINC001603698842 974094308 /nfs/dbraw/zinc/09/43/08/974094308.db2.gz OXOYMGBTJXHQLA-HJKFZPBFSA-N -1 0 343.427 2.791 20 50 EFGDRM CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001603860675 974362998 /nfs/dbraw/zinc/36/29/98/974362998.db2.gz BGBLPPIDVDKHTM-NTEUORMPSA-N -1 0 337.335 2.724 20 50 EFGDRM CC(C)Oc1cc(NC(=O)NNc2cccc(C(=O)[O-])c2)ccn1 ZINC001591757263 975833926 /nfs/dbraw/zinc/83/39/26/975833926.db2.gz ZWIRHWCQJQLLFN-UHFFFAOYSA-N -1 0 330.344 2.716 20 50 EFGDRM CC(C)c1ccc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1[N+](=O)[O-] ZINC001591942092 976465222 /nfs/dbraw/zinc/46/52/22/976465222.db2.gz BRXYESWKUKOKJJ-UHFFFAOYSA-N -1 0 344.327 2.568 20 50 EFGDRM C[C@@H](CBr)COC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001592212432 977268404 /nfs/dbraw/zinc/26/84/04/977268404.db2.gz RNZBSWSXOZIRCV-JTQLQIEISA-N -1 0 329.190 2.892 20 50 EFGDRM C[C@H](CC(=O)[O-])CC(=O)NNc1ccc(Br)c(F)c1 ZINC001592391324 977935812 /nfs/dbraw/zinc/93/58/12/977935812.db2.gz HOARHXKXRQKFSG-ZETCQYMHSA-N -1 0 333.157 2.532 20 50 EFGDRM O=C([O-])c1ccccc1C=NNC(=O)c1cccc(OC(F)F)c1 ZINC000728434832 978292881 /nfs/dbraw/zinc/29/28/81/978292881.db2.gz PDMGODKLHFFKSU-UHFFFAOYSA-N -1 0 334.278 2.750 20 50 EFGDRM COc1ccc(C(=O)NN=C(C)c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000729938113 978295746 /nfs/dbraw/zinc/29/57/46/978295746.db2.gz FVMHYLRGQHCGFR-UHFFFAOYSA-N -1 0 342.351 2.556 20 50 EFGDRM CC(=NNC(=O)c1cnn(-c2ccccc2)c1)c1ccc(C(=O)[O-])cc1 ZINC000733077113 978300955 /nfs/dbraw/zinc/30/09/55/978300955.db2.gz IKRUESAVCMVRNJ-UHFFFAOYSA-N -1 0 348.362 2.725 20 50 EFGDRM O=C([O-])c1ccccc1C=NNC(=O)NCc1ccc(Cl)cc1 ZINC000732927204 978301028 /nfs/dbraw/zinc/30/10/28/978301028.db2.gz HDFVHEZVFBXQEU-UHFFFAOYSA-N -1 0 331.759 2.872 20 50 EFGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNc1cccc(C(F)(F)F)c1 ZINC000736414084 978331160 /nfs/dbraw/zinc/33/11/60/978331160.db2.gz CCSXXAREDYPRIR-NSHDSACASA-N -1 0 333.310 2.831 20 50 EFGDRM C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736703204 978350542 /nfs/dbraw/zinc/35/05/42/978350542.db2.gz PLMOWYZSJPTCGA-SECBINFHSA-N -1 0 349.270 2.805 20 50 EFGDRM C[C@@H]1CCCC[C@@H]1OCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736786959 978355683 /nfs/dbraw/zinc/35/56/83/978355683.db2.gz XKOLKHXZELQMSR-YGRLFVJLSA-N -1 0 337.328 2.794 20 50 EFGDRM CC[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1c(C)noc1C ZINC000736860342 978362893 /nfs/dbraw/zinc/36/28/93/978362893.db2.gz ZZYCIURFMGCKMZ-NSHDSACASA-N -1 0 348.311 2.997 20 50 EFGDRM CC[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1c(C)noc1C ZINC000736860341 978363025 /nfs/dbraw/zinc/36/30/25/978363025.db2.gz ZZYCIURFMGCKMZ-LLVKDONJSA-N -1 0 348.311 2.997 20 50 EFGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C[C@H](C)C(=O)[O-])c1C ZINC000737003793 978372458 /nfs/dbraw/zinc/37/24/58/978372458.db2.gz KASCHEDFFHVPJY-NWRYFCBHSA-N -1 0 345.443 2.991 20 50 EFGDRM CCOC(=O)C(C#N)=CNc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000737130353 978382234 /nfs/dbraw/zinc/38/22/34/978382234.db2.gz YEQKFRGBFAIOGK-XYOKQWHBSA-N -1 0 343.364 2.891 20 50 EFGDRM CCOc1cc(C(=O)NNc2cccc(C)c2)ccc1OCC(=O)[O-] ZINC000737185394 978384640 /nfs/dbraw/zinc/38/46/40/978384640.db2.gz PPDGPDVXBCDJRX-UHFFFAOYSA-N -1 0 344.367 2.614 20 50 EFGDRM C[C@H](CCc1cccn1C)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592545734 978429795 /nfs/dbraw/zinc/42/97/95/978429795.db2.gz BUDDPUOYSULAFY-LLVKDONJSA-N -1 0 348.378 2.510 20 50 EFGDRM C[C@@H](CCc1cccn1C)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592545737 978429853 /nfs/dbraw/zinc/42/98/53/978429853.db2.gz BUDDPUOYSULAFY-NSHDSACASA-N -1 0 348.378 2.510 20 50 EFGDRM COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737983285 978464102 /nfs/dbraw/zinc/46/41/02/978464102.db2.gz SPTFQECSIBHFTM-RUDMXATFSA-N -1 0 343.291 2.920 20 50 EFGDRM Cc1cc(C(=O)NN=Cc2cc(C(=O)[O-])ccc2O)c2ccccc2n1 ZINC000738332955 978518522 /nfs/dbraw/zinc/51/85/22/978518522.db2.gz UOVTXRARSCKFRW-UHFFFAOYSA-N -1 0 349.346 2.711 20 50 EFGDRM Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000738351788 978523020 /nfs/dbraw/zinc/52/30/20/978523020.db2.gz LATLVUVDEIQCAD-UHFFFAOYSA-N -1 0 346.251 2.729 20 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O=C([O-])Nc1ccc(CCNC(=O)NNc2ccc(F)cc2)cc1 ZINC000740022955 978663363 /nfs/dbraw/zinc/66/33/63/978663363.db2.gz HIFROLWJIMZZOA-UHFFFAOYSA-N -1 0 332.335 2.784 20 50 EFGDRM O=C([O-])Nc1ccccc1C(=O)NNC(=O)CCC1CCCCC1 ZINC000740044967 978664871 /nfs/dbraw/zinc/66/48/71/978664871.db2.gz DQTFKSKEYBHOJB-UHFFFAOYSA-N -1 0 333.388 2.898 20 50 EFGDRM O=C([O-])c1cc(OC(=O)[C@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000740088097 978667162 /nfs/dbraw/zinc/66/71/62/978667162.db2.gz QDTQPGNYGSEPCP-LBPRGKRZSA-N -1 0 343.291 2.765 20 50 EFGDRM CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000749812008 978689678 /nfs/dbraw/zinc/68/96/78/978689678.db2.gz JHAAYQZHNIESGI-UHFFFAOYSA-N -1 0 343.383 2.540 20 50 EFGDRM COc1ccccc1SCC(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000761271784 978708036 /nfs/dbraw/zinc/70/80/36/978708036.db2.gz IOWPEQNTMSEYJC-UHFFFAOYSA-N -1 0 344.392 2.636 20 50 EFGDRM O=C([O-])CC1CCN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)CC1 ZINC000776597684 978755621 /nfs/dbraw/zinc/75/56/21/978755621.db2.gz 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CC(=NNC(=O)[C@H]1COc2ccccc2O1)[C@@H](C)CCCCC(=O)[O-] ZINC000814700814 978874624 /nfs/dbraw/zinc/87/46/24/978874624.db2.gz DYTQJNDAKYSHJX-BLLLJJGKSA-N -1 0 348.399 2.600 20 50 EFGDRM O=C([O-])c1cccc(C=NNC(=O)COc2ccc(Cl)cc2)c1 ZINC000814723836 978876725 /nfs/dbraw/zinc/87/67/25/978876725.db2.gz WFQPZSJYDDUYKI-UHFFFAOYSA-N -1 0 332.743 2.567 20 50 EFGDRM Cc1ccc(OCC(=O)NN=Cc2cccc(C(=O)[O-])c2)cc1C ZINC000814721760 978876947 /nfs/dbraw/zinc/87/69/47/978876947.db2.gz URXVOGSBFKVNRC-UHFFFAOYSA-N -1 0 326.352 2.531 20 50 EFGDRM C[C@H]1C(=NNC(=O)COc2ccc(Cl)cc2)CC[C@H]1CC(=O)[O-] ZINC000814723952 978876958 /nfs/dbraw/zinc/87/69/58/978876958.db2.gz YGAXDJZJSIZAEQ-MNOVXSKESA-N -1 0 338.791 2.712 20 50 EFGDRM CC(=NNC(=O)COc1ccccc1F)c1cc(C(=O)[O-])cs1 ZINC000814722522 978877125 /nfs/dbraw/zinc/87/71/25/978877125.db2.gz DBZTVJLPLKFYFT-UHFFFAOYSA-N -1 0 336.344 2.505 20 50 EFGDRM CC(=NNC(=O)COc1ccc(F)cc1)c1cc(C(=O)[O-])cs1 ZINC000814747879 978879534 /nfs/dbraw/zinc/87/95/34/978879534.db2.gz 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C[C@@H](CSC(F)(F)F)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001592825487 979543207 /nfs/dbraw/zinc/54/32/07/979543207.db2.gz VZFSBBPZYZURJZ-LURJTMIESA-N -1 0 340.298 2.856 20 50 EFGDRM C[C@@H](Cc1ccc(NC(=O)NNC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001592871620 979724835 /nfs/dbraw/zinc/72/48/35/979724835.db2.gz GDLSCNQDERGUMA-JTQLQIEISA-N -1 0 337.376 2.511 20 50 EFGDRM CC[C@@H](Cc1ccccc1)NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595212469 980001048 /nfs/dbraw/zinc/00/10/48/980001048.db2.gz FFYCSKXJRZLGDM-INIZCTEOSA-N -1 0 341.411 2.961 20 50 EFGDRM CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1ccccc1C(=O)[O-] ZINC001595356140 980709386 /nfs/dbraw/zinc/70/93/86/980709386.db2.gz AVNIEHYFJSLASM-MRXNPFEDSA-N -1 0 328.368 2.994 20 50 EFGDRM CC[C@@H]1C[C@@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC001595407976 980995049 /nfs/dbraw/zinc/99/50/49/980995049.db2.gz KEAUVJGPPGSJNM-GXSJLCMTSA-N -1 0 326.780 2.687 20 50 EFGDRM CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001595446598 981093222 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334.254 2.946 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC000910567997 981995061 /nfs/dbraw/zinc/99/50/61/981995061.db2.gz OZBPRCDGHPNBLP-JQWIXIFHSA-N -1 0 334.254 2.946 20 50 EFGDRM CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594865774 982170093 /nfs/dbraw/zinc/17/00/93/982170093.db2.gz XIWGOHQKWBVYJM-PQTFEYQYSA-N -1 0 332.312 2.580 20 50 EFGDRM CCCCNC(=O)NN=Cc1ccc(C(=O)[O-])cc1Br ZINC001595759025 982463345 /nfs/dbraw/zinc/46/33/45/982463345.db2.gz IZQPGGDVBDAMSX-UHFFFAOYSA-N -1 0 342.193 2.581 20 50 EFGDRM CCCCNc1ccccc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001595764043 982477296 /nfs/dbraw/zinc/47/72/96/982477296.db2.gz ZHHCWHJKKWLLPS-UHFFFAOYSA-N -1 0 328.372 2.749 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC000911659723 982589670 /nfs/dbraw/zinc/58/96/70/982589670.db2.gz NPHUHPOSIRUJLN-CMPLNLGQSA-N -1 0 343.221 2.523 20 50 EFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)C(=O)[O-])c1C ZINC001595802018 982616840 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20 50 EFGDRM C[C@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)CC[C@H]1C(=O)[O-] ZINC001599915005 985043029 /nfs/dbraw/zinc/04/30/29/985043029.db2.gz YZHLFZPPFUAHMY-HHHUMZEGSA-N -1 0 344.249 2.509 20 50 EFGDRM CCO[C@H](CCNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C(C)C ZINC001596784435 985246782 /nfs/dbraw/zinc/24/67/82/985246782.db2.gz KYRIZAVIDFVYAT-CQSZACIVSA-N -1 0 341.383 2.601 20 50 EFGDRM C[C@H]1c2ccccc2C[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599937069 985408398 /nfs/dbraw/zinc/40/83/98/985408398.db2.gz NIBRPVXHOBOCGN-MEDUHNTESA-N -1 0 325.368 2.739 20 50 EFGDRM CC(=O)c1c(C)[nH]c(C(=O)NNc2cccc(C(=O)[O-])c2C)c1C ZINC001589249518 985871493 /nfs/dbraw/zinc/87/14/93/985871493.db2.gz YLCQPNFFRDGTBD-UHFFFAOYSA-N -1 0 329.356 2.598 20 50 EFGDRM CC(=O)c1ccc(C(=O)NNc2cccc(F)c2C(=O)[O-])cc1C ZINC001589277505 985996336 /nfs/dbraw/zinc/99/63/36/985996336.db2.gz TVCBFYNNBWARJT-UHFFFAOYSA-N -1 0 330.315 2.792 20 50 EFGDRM CC(=O)c1ccc(C(=O)NNc2ccc(CC(=O)[O-])cc2)cc1C ZINC001589277701 985997999 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EFGDRM CCOc1ccc(CC(=O)NNc2cccc(C(=O)[O-])c2C)cc1 ZINC001597082463 986636886 /nfs/dbraw/zinc/63/68/86/986636886.db2.gz QAKRCWBFVLPRHS-UHFFFAOYSA-N -1 0 328.368 2.778 20 50 EFGDRM C[C@H]1Cc2cc(NC(=O)NNc3ccc(C(=O)[O-])cc3F)ccc2O1 ZINC001594619123 986647450 /nfs/dbraw/zinc/64/74/50/986647450.db2.gz VXDOPOBYNDXSFN-VIFPVBQESA-N -1 0 345.330 2.996 20 50 EFGDRM C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(F)c1)n1cnc2ccccc21 ZINC001589424114 986687773 /nfs/dbraw/zinc/68/77/73/986687773.db2.gz SJLQWSVNVQFMMW-SNVBAGLBSA-N -1 0 342.330 2.578 20 50 EFGDRM CCOc1ccccc1CNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001597172680 987006638 /nfs/dbraw/zinc/00/66/38/987006638.db2.gz OVEFSYBRQOMRGB-UHFFFAOYSA-N -1 0 347.346 2.749 20 50 EFGDRM CCOc1ccccc1CNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001597173103 987013234 /nfs/dbraw/zinc/01/32/34/987013234.db2.gz YPMZMBHKNQTWPD-UHFFFAOYSA-N -1 0 347.346 2.749 20 50 EFGDRM CCSCC[C@H](C)NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001597258979 987275972 /nfs/dbraw/zinc/27/59/72/987275972.db2.gz 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C[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)c2ccccc2O1 ZINC001599871274 989353352 /nfs/dbraw/zinc/35/33/52/989353352.db2.gz WVPAYTDLMIYCFB-IAQYHMDHSA-N -1 0 341.367 2.923 20 50 EFGDRM CC(C)(C)c1ccc(C(=O)NNc2cccc(F)c2C(=O)[O-])nc1 ZINC001590481631 990075561 /nfs/dbraw/zinc/07/55/61/990075561.db2.gz LOBWIFPHXRTEEY-UHFFFAOYSA-N -1 0 331.347 2.973 20 50 EFGDRM CC(C)(C)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)nn1 ZINC001590492690 990091588 /nfs/dbraw/zinc/09/15/88/990091588.db2.gz GTPILCKVMUJVBU-UHFFFAOYSA-N -1 0 329.360 2.621 20 50 EFGDRM CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(C(=O)[O-])co2)cc1 ZINC001590493371 990095691 /nfs/dbraw/zinc/09/56/91/990095691.db2.gz KJBPIJIBXQMBJE-UHFFFAOYSA-N -1 0 344.367 2.804 20 50 EFGDRM CC(C)(C)c1nnc(NC(=O)NNc2cccc(C(=O)[O-])c2)s1 ZINC001590575452 990220377 /nfs/dbraw/zinc/22/03/77/990220377.db2.gz WGEYRQQOHFEEPN-UHFFFAOYSA-N -1 0 335.389 2.682 20 50 EFGDRM CC(C)(CC=NNC(=O)c1cccc(Br)c1)C(=O)[O-] ZINC001590654505 990347279 /nfs/dbraw/zinc/34/72/79/990347279.db2.gz 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ZINC001598508009 992533167 /nfs/dbraw/zinc/53/31/67/992533167.db2.gz ZSFSFTCIXUGWLU-UHFFFAOYSA-N -1 0 332.331 2.797 20 50 EFGDRM CC(C)Cc1nc(C(=O)NNc2cccc(C(=O)[O-])c2F)cs1 ZINC001591490571 992622575 /nfs/dbraw/zinc/62/25/75/992622575.db2.gz AVGWLAZUEHUANL-UHFFFAOYSA-N -1 0 337.376 2.936 20 50 EFGDRM CC(C)Cc1ncc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cn1 ZINC001591497173 992631862 /nfs/dbraw/zinc/63/18/62/992631862.db2.gz VOUAWRJOQNJSQY-UHFFFAOYSA-N -1 0 347.350 2.661 20 50 EFGDRM COc1ccc(NC(=O)NNc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001599594094 993726693 /nfs/dbraw/zinc/72/66/93/993726693.db2.gz LEFVLZRYXOFCFK-UHFFFAOYSA-N -1 0 331.328 2.551 20 50 EFGDRM C[C@@H](NC(=O)NNc1cccc(F)c1F)c1ncc(C(=O)[O-])s1 ZINC001593102009 993739790 /nfs/dbraw/zinc/73/97/90/993739790.db2.gz OAUMNWFPMJFKPP-ZCFIWIBFSA-N -1 0 342.327 2.507 20 50 EFGDRM COc1ccc(NNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1Cl ZINC001599598326 993778896 /nfs/dbraw/zinc/77/88/96/993778896.db2.gz VTIXVFNOENXRPQ-MGCOHNPYSA-N -1 0 326.780 2.683 20 50 EFGDRM COc1ccc2c(c1)CC[C@@H]2C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599627444 994169149 /nfs/dbraw/zinc/16/91/49/994169149.db2.gz IGSGXMITHZWRRO-INIZCTEOSA-N -1 0 326.352 2.567 20 50 EFGDRM COc1ccc2c(c1)CC[C@H]2C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599627445 994169363 /nfs/dbraw/zinc/16/93/63/994169363.db2.gz IGSGXMITHZWRRO-MRXNPFEDSA-N -1 0 326.352 2.567 20 50 EFGDRM COc1ccc2c(c1)CC[C@@H]2C(=O)NNc1ccccc1C(=O)[O-] ZINC001599627567 994170853 /nfs/dbraw/zinc/17/08/53/994170853.db2.gz LTSYKOYVIRULLI-AWEZNQCLSA-N -1 0 326.352 2.567 20 50 EFGDRM COc1cccc(C(C)(C)C(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001599648768 994463221 /nfs/dbraw/zinc/46/32/21/994463221.db2.gz DOZHJOHCXOKPRP-UHFFFAOYSA-N -1 0 346.358 2.953 20 50 EFGDRM COc1cccc(C[C@@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC001599666481 994738387 /nfs/dbraw/zinc/73/83/87/994738387.db2.gz QDZALYHDJMCOTA-GFCCVEGCSA-N -1 0 343.383 2.651 20 50 EFGDRM COc1cccc(CCC(=O)NNc2ccc(CC(=O)[O-])cc2)c1F ZINC001599670752 994807140 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Cc1cc(C(=O)[O-])cc(C(=O)NNc2ncccc2C(F)(F)F)c1 ZINC001600110120 970767163 /nfs/dbraw/zinc/76/71/63/970767163.db2.gz CCTMBLAKJCCROB-UHFFFAOYSA-N -1 0 339.273 2.864 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNc2cccc(Cl)c2Cl)nc1 ZINC001595220792 949240136 /nfs/dbraw/zinc/24/01/36/949240136.db2.gz FNKSXZFDDRRTQL-UHFFFAOYSA-N -1 0 326.139 2.844 20 50 EFGDRM O=C([O-])c1cccc(C(=O)NNc2nc3ccccc3[nH]c2=S)c1 ZINC001595241201 949458773 /nfs/dbraw/zinc/45/87/73/949458773.db2.gz DMGVZQHXGODICJ-UHFFFAOYSA-N -1 0 340.364 2.747 20 50 EFGDRM CCCN(NC(=O)Cc1ccccc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001589673141 949949863 /nfs/dbraw/zinc/94/98/63/949949863.db2.gz AGXATABEMMSGFI-UHFFFAOYSA-N -1 0 336.388 2.606 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](CC)C(=O)[O-])c1C ZINC001589695116 950157319 /nfs/dbraw/zinc/15/73/19/950157319.db2.gz WBNWEVLUUQZIHY-DDITZMBXSA-N -1 0 331.416 2.744 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](CC)C(=O)[O-])c1C ZINC001589695118 950157396 /nfs/dbraw/zinc/15/73/96/950157396.db2.gz WBNWEVLUUQZIHY-KMPOOHAWSA-N -1 0 331.416 2.744 20 50 EFGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NNc1ccc(Br)cc1F ZINC001602853084 971697005 /nfs/dbraw/zinc/69/70/05/971697005.db2.gz LOLXCWIUJVZRCR-JTQLQIEISA-N -1 0 347.184 2.778 20 50 EFGDRM CCO/C=C(/C#N)C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001591765119 951217913 /nfs/dbraw/zinc/21/79/13/951217913.db2.gz MTOBCDARTNKNNX-DKXRRRNBSA-N -1 0 328.368 2.501 20 50 EFGDRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)c1ccccc1 ZINC001595161233 952197005 /nfs/dbraw/zinc/19/70/05/952197005.db2.gz MCBKKRHGIQRMKI-AWEZNQCLSA-N -1 0 339.800 2.530 20 50 EFGDRM COc1ccc(CNC(=O)/C(C#N)=C\c2cccc(C(=O)[O-])c2)cc1 ZINC000490905668 953531842 /nfs/dbraw/zinc/53/18/42/953531842.db2.gz AAFOSPBPTCAVMS-YBEGLDIGSA-N -1 0 336.347 2.617 20 50 EFGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2ccc(OCC(F)(F)F)cc2)C1 ZINC001594780564 953626041 /nfs/dbraw/zinc/62/60/41/953626041.db2.gz XNCXJLNPSODBBK-VHSXEESVSA-N -1 0 346.305 2.572 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(F)c(Cl)cc1Cl ZINC001594781643 953635557 /nfs/dbraw/zinc/63/55/57/953635557.db2.gz RKYXVQWUCGDBSJ-UHFFFAOYSA-N -1 0 344.129 2.983 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc(-c2ccccn2)cc1 ZINC001594782091 953641311 /nfs/dbraw/zinc/64/13/11/953641311.db2.gz QGAUBRCBOVBWJT-UHFFFAOYSA-N -1 0 349.350 2.990 20 50 EFGDRM O=C([O-])c1c(F)ccc(NC(=O)NNc2cccc(F)n2)c1Cl ZINC001594782361 953646230 /nfs/dbraw/zinc/64/62/30/953646230.db2.gz ZUZIIEVACWMXDC-UHFFFAOYSA-N -1 0 342.689 2.860 20 50 EFGDRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)NN=c2[nH]cccc2C(=O)[O-])o1 ZINC001589296804 953652964 /nfs/dbraw/zinc/65/29/64/953652964.db2.gz RZPRTVOHMJRKRU-ZWNOBZJWSA-N -1 0 329.356 2.572 20 50 EFGDRM O=C([O-])[C@H](C(=O)NNc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC001594835672 954024886 /nfs/dbraw/zinc/02/48/86/954024886.db2.gz KHDUXIAAHPMTQJ-KRWDZBQOSA-N -1 0 340.379 2.820 20 50 EFGDRM O=C([O-])[C@@H](C(=O)NNc1nc2ccccc2[nH]c1=S)C1CCCC1 ZINC001594836470 954030637 /nfs/dbraw/zinc/03/06/37/954030637.db2.gz WEQNLWUIZVNVAY-GFCCVEGCSA-N -1 0 346.412 2.626 20 50 EFGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1ccccc1OC(F)(F)F ZINC001589475707 954955730 /nfs/dbraw/zinc/95/57/30/954955730.db2.gz ICCAFGMOWFWGRF-UHFFFAOYSA-N -1 0 334.294 2.919 20 50 EFGDRM CCC(CC)(CNC(=O)NNc1ccc(F)cc1Cl)C(=O)[O-] ZINC001589497543 955020351 /nfs/dbraw/zinc/02/03/51/955020351.db2.gz HXHFXCMGOFWWEP-UHFFFAOYSA-N -1 0 331.775 2.996 20 50 EFGDRM CCOc1ccc(/C=C(\C#N)C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000737195938 955219939 /nfs/dbraw/zinc/21/99/39/955219939.db2.gz ZZSIKMVKTJNCLB-RVDMUPIBSA-N -1 0 342.395 2.752 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)C(=O)[O-])c(C)n1CCC(C)C ZINC000738231563 955235298 /nfs/dbraw/zinc/23/52/98/955235298.db2.gz TXOLHNORXASOQV-LWLPBDFMSA-N -1 0 331.416 2.647 20 50 EFGDRM Cc1oc(-c2cccs2)nc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001594504782 955352721 /nfs/dbraw/zinc/35/27/21/955352721.db2.gz RFYXGBYPDRPXQU-UHFFFAOYSA-N -1 0 344.352 2.562 20 50 EFGDRM CCOc1ccc(/C=C(\C#N)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000818240128 955387564 /nfs/dbraw/zinc/38/75/64/955387564.db2.gz WSZQOTPRNXYYFA-BMANGOCTSA-N -1 0 342.395 2.706 20 50 EFGDRM CC(C)COc1ccccc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001603032377 972093158 /nfs/dbraw/zinc/09/31/58/972093158.db2.gz HAXHPHSLHBRFMK-UHFFFAOYSA-N -1 0 344.371 2.963 20 50 EFGDRM O=C([O-])c1ccc(CNC(=O)NNc2cc(F)c(F)c(F)c2)cc1 ZINC000819194667 955437221 /nfs/dbraw/zinc/43/72/21/955437221.db2.gz HCHNATGQVCHJCO-UHFFFAOYSA-N -1 0 339.273 2.628 20 50 EFGDRM Cc1cccc(NC(=S)NNC(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000821116807 955491472 /nfs/dbraw/zinc/49/14/72/955491472.db2.gz TUBKXDNPNLUEHC-UHFFFAOYSA-N -1 0 343.408 2.633 20 50 EFGDRM C[C@@](CNC(=O)NNc1ccc(F)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001589056289 955696798 /nfs/dbraw/zinc/69/67/98/955696798.db2.gz MVECQZAZQUZZBG-KRWDZBQOSA-N -1 0 349.337 2.633 20 50 EFGDRM C[C@@H](NC(=O)NNc1cccc(F)c1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848595751 955768915 /nfs/dbraw/zinc/76/89/15/955768915.db2.gz JYBMVCMVVQEUHP-KXUCPTDWSA-N -1 0 341.358 2.726 20 50 EFGDRM C[C@H](NC(=O)NNc1cccc(F)c1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848595752 955769399 /nfs/dbraw/zinc/76/93/99/955769399.db2.gz JYBMVCMVVQEUHP-LPEHRKFASA-N -1 0 341.358 2.726 20 50 EFGDRM O=C([O-])C1(CNC(=O)NNc2cc(Cl)ccc2Cl)CCC1 ZINC000851653979 955799012 /nfs/dbraw/zinc/79/90/12/955799012.db2.gz KGQUEGQREGXKAY-UHFFFAOYSA-N -1 0 332.187 2.874 20 50 EFGDRM C[C@@H](SCc1ccccc1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589169105 956453538 /nfs/dbraw/zinc/45/35/38/956453538.db2.gz GSDIFQNYLINHKI-LLVKDONJSA-N -1 0 331.397 2.545 20 50 EFGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1ccc(C#N)c(Cl)c1 ZINC001589205328 956661105 /nfs/dbraw/zinc/66/11/05/956661105.db2.gz HVSXDRUODMDBGH-UHFFFAOYSA-N -1 0 335.791 2.792 20 50 EFGDRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CCCC[C@H]2CCSS2)C1 ZINC000902317757 956701501 /nfs/dbraw/zinc/70/15/01/956701501.db2.gz ZYKCJYUDFNSQHZ-SWLSCSKDSA-N -1 0 347.502 2.650 20 50 EFGDRM O=C([O-])C1(C(=O)NNC(=O)CCCc2ccccc2)CCCCCC1 ZINC001594685788 956712728 /nfs/dbraw/zinc/71/27/28/956712728.db2.gz WJAOPDBLJSWISH-UHFFFAOYSA-N -1 0 346.427 2.582 20 50 EFGDRM CC1(C)C[C@H](C(=O)NN=c2[nH]cccc2C(=O)[O-])c2ccccc2O1 ZINC001589214453 956725782 /nfs/dbraw/zinc/72/57/82/956725782.db2.gz UVSPPBGQJSUWOC-ZDUSSCGKSA-N -1 0 341.367 2.568 20 50 EFGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNc1cc(Br)ccc1F ZINC001589218993 956751727 /nfs/dbraw/zinc/75/17/27/956751727.db2.gz FWKJKIKKXFIUHU-ZDUSSCGKSA-N -1 0 345.168 2.532 20 50 EFGDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NNc1ccc(C#N)cc1C(F)(F)F ZINC001589219239 956752645 /nfs/dbraw/zinc/75/26/45/956752645.db2.gz KBMOHHHILLKVSF-CQSZACIVSA-N -1 0 341.289 2.521 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000902858910 956829058 /nfs/dbraw/zinc/82/90/58/956829058.db2.gz AZUUSEMHPZZOAY-MNOVXSKESA-N -1 0 346.196 2.877 20 50 EFGDRM O=C([O-])c1ccccc1CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl ZINC001594709963 956872855 /nfs/dbraw/zinc/87/28/55/956872855.db2.gz SVJVUAGKFXJANA-UHFFFAOYSA-N -1 0 349.730 2.632 20 50 EFGDRM C[C@H](CNC(=O)NN(Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001603184073 972286445 /nfs/dbraw/zinc/28/64/45/972286445.db2.gz SQXDOMIUUBSRAT-CQSZACIVSA-N -1 0 327.384 2.628 20 50 EFGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)c2ccc3ccccc3c2)c1 ZINC001594288159 957794024 /nfs/dbraw/zinc/79/40/24/957794024.db2.gz APBKFZJZOMKMIJ-UHFFFAOYSA-N -1 0 348.358 2.921 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)n1CC(C)C ZINC001594301274 957913847 /nfs/dbraw/zinc/91/38/47/957913847.db2.gz RXPLTHMHEYAYIY-QOTSWMAJSA-N -1 0 345.443 2.893 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC(C(=O)[O-])C2)c(C)n1CCC(C)C ZINC001594301362 957915315 /nfs/dbraw/zinc/91/53/15/957915315.db2.gz YBUZIOOEEDYYLS-PXNMLYILSA-N -1 0 343.427 2.601 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1CC(C)C ZINC001594301349 957915817 /nfs/dbraw/zinc/91/58/17/957915817.db2.gz XUHNHIYSMJPQCJ-QOSBVPTNSA-N -1 0 345.443 2.847 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1CC(C)C ZINC001594301351 957915998 /nfs/dbraw/zinc/91/59/98/957915998.db2.gz XUHNHIYSMJPQCJ-TVYFDWKESA-N -1 0 345.443 2.847 20 50 EFGDRM COc1cc(C)c(NC(=O)NN=c2[nH]cccc2C(=O)[O-])c(C)c1C ZINC001594054348 958014424 /nfs/dbraw/zinc/01/44/24/958014424.db2.gz ZQXGCWQCUXPUKJ-UHFFFAOYSA-N -1 0 344.371 2.862 20 50 EFGDRM Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccccc1CC(=O)[O-] ZINC001594331371 958225368 /nfs/dbraw/zinc/22/53/68/958225368.db2.gz CJTWTUTZEUBQLV-UHFFFAOYSA-N -1 0 344.327 2.679 20 50 EFGDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H](Br)C(C)(C)C)C1 ZINC001523010830 958238624 /nfs/dbraw/zinc/23/86/24/958238624.db2.gz WXEZYFZWWLCTOS-QMTHXVAHSA-N -1 0 334.254 2.899 20 50 EFGDRM COc1ccc(NNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c(C(F)(F)F)c1 ZINC001594106505 958471746 /nfs/dbraw/zinc/47/17/46/958471746.db2.gz XCAKQGPKUVIPPY-CQSZACIVSA-N -1 0 346.305 2.658 20 50 EFGDRM COc1cccc(C[C@H](C)CC(=O)NN=c2[nH]cccc2C(=O)[O-])c1 ZINC001594126634 958642607 /nfs/dbraw/zinc/64/26/07/958642607.db2.gz RLYXQKLPJGZWGX-LBPRGKRZSA-N -1 0 343.383 2.500 20 50 EFGDRM Cc1nc(-c2ccccc2)oc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001594443546 959307522 /nfs/dbraw/zinc/30/75/22/959307522.db2.gz FWLRIKSTQQYZLM-UHFFFAOYSA-N -1 0 338.323 2.500 20 50 EFGDRM C[C@@H](Sc1ccc(F)cc1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001573643327 959626391 /nfs/dbraw/zinc/62/63/91/959626391.db2.gz NSBXSGDJNJVNHJ-SECBINFHSA-N -1 0 335.360 2.543 20 50 EFGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NNc1ccc(C#N)cc1C(F)(F)F ZINC001588633720 959630041 /nfs/dbraw/zinc/63/00/41/959630041.db2.gz JSJBWFVVQJJICP-NSHDSACASA-N -1 0 343.305 2.767 20 50 EFGDRM Cc1c(C(=O)NNc2ncccc2C(=O)[O-])cccc1-c1ccccn1 ZINC001594256668 959653502 /nfs/dbraw/zinc/65/35/02/959653502.db2.gz JBIFXPHXEZOSHQ-UHFFFAOYSA-N -1 0 348.362 2.907 20 50 EFGDRM CC(C)(C)CC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)[O-] ZINC001588644784 959723896 /nfs/dbraw/zinc/72/38/96/959723896.db2.gz CSDSVYLUUMCPHB-VOMSXAGXSA-N -1 0 330.384 2.695 20 50 EFGDRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C ZINC001573760219 960610004 /nfs/dbraw/zinc/61/00/04/960610004.db2.gz WRXZTXJANYZFCM-NDCSFFLDSA-N -1 0 345.443 2.990 20 50 EFGDRM Cc1ccc(CCC(=O)NN=c2[nH]cccc2C(=O)[O-])cc1Cl ZINC001574366615 961041226 /nfs/dbraw/zinc/04/12/26/961041226.db2.gz LCIOAYLIOVQMKO-UHFFFAOYSA-N -1 0 333.775 2.818 20 50 EFGDRM Cc1ccc(NC(=S)NNC(=O)[C@H](C(=O)[O-])C2CCCC2)c(C)c1 ZINC001574374827 961085909 /nfs/dbraw/zinc/08/59/09/961085909.db2.gz DBVOHWZVCMJTRR-CQSZACIVSA-N -1 0 349.456 2.512 20 50 EFGDRM CC(C)(C)O[C@@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccccc1 ZINC001588731808 961091094 /nfs/dbraw/zinc/09/10/94/961091094.db2.gz IHLOLDHRWCJRMZ-CQSZACIVSA-N -1 0 343.383 2.779 20 50 EFGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC001588739533 961154720 /nfs/dbraw/zinc/15/47/20/961154720.db2.gz UHVPFXDGSGZOPH-QWHCGFSZSA-N -1 0 327.497 2.720 20 50 EFGDRM Cc1ccc(OCC(=O)NN=Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000254836046 961323056 /nfs/dbraw/zinc/32/30/56/961323056.db2.gz CTJPCWZTITUJEW-UHFFFAOYSA-N -1 0 326.352 2.531 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CCCC[C@H]1CCSS1 ZINC001574524426 961868166 /nfs/dbraw/zinc/86/81/66/961868166.db2.gz NRYSQXBUCRLNLK-JTQLQIEISA-N -1 0 341.458 2.937 20 50 EFGDRM CC(C)COc1cccc(NC(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001588877566 962130988 /nfs/dbraw/zinc/13/09/88/962130988.db2.gz BGWHTUMWYYGFAG-UHFFFAOYSA-N -1 0 344.371 2.963 20 50 EFGDRM CC(C)C[C@H](CNC(=O)/C(C#N)=C\c1ccc(O)cc1)CC(=O)[O-] ZINC001588887344 962182111 /nfs/dbraw/zinc/18/21/11/962182111.db2.gz HDVFSVVMZPIIFL-QDECMSLZSA-N -1 0 330.384 2.552 20 50 EFGDRM O=C([O-])C1(NS(=O)(=O)c2ccc(CCl)cc2)CCCCCC1 ZINC001574640885 962350733 /nfs/dbraw/zinc/35/07/33/962350733.db2.gz ZYQZQWCAEMXYSU-UHFFFAOYSA-N -1 0 345.848 2.881 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000296786710 962916167 /nfs/dbraw/zinc/91/61/67/962916167.db2.gz MLHDDTLXQDVMHU-NSHDSACASA-N -1 0 328.206 2.811 20 50 EFGDRM CC(C)C[C@H](CNC(=O)NNc1c(F)cccc1Cl)C(=O)[O-] ZINC000818627240 969192790 /nfs/dbraw/zinc/19/27/90/969192790.db2.gz HCOWBRGMGUBKQQ-SECBINFHSA-N -1 0 331.775 2.852 20 50 EFGDRM O=C([O-])[C@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000852945107 969293843 /nfs/dbraw/zinc/29/38/43/969293843.db2.gz AXKPBLQCUDKAGY-LBPRGKRZSA-N -1 0 341.751 2.582 20 50 EFGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNc2ccc(C(C)(C)C)nn2)c1 ZINC001600108425 970762338 /nfs/dbraw/zinc/76/23/38/970762338.db2.gz IGURLDABYDGQEW-UHFFFAOYSA-N -1 0 328.372 2.538 20 50 EFGDRM O=C([O-])c1cccc(NC(=O)NNc2cc(F)cc(F)c2F)c1 ZINC001605815321 972542499 /nfs/dbraw/zinc/54/24/99/972542499.db2.gz DHCHVHPVLIYFMX-UHFFFAOYSA-N -1 0 325.246 2.951 20 50 EFGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1ccc(OC(F)F)cc1 ZINC001603311977 972608353 /nfs/dbraw/zinc/60/83/53/972608353.db2.gz HNKFGZHVLOJMIS-UHFFFAOYSA-N -1 0 342.342 2.868 20 50 EFGDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNc1ccc(Br)cc1Cl ZINC001605023208 972631209 /nfs/dbraw/zinc/63/12/09/972631209.db2.gz KPIODHACTNDTFC-INWYIAFRSA-N -1 0 347.596 2.656 20 50 EFGDRM Cc1cc(Br)ccc1NNC(=O)[C@@H](C(=O)[O-])C(C)(C)C 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341.236 2.517 20 50 EFGDRM COC(=O)c1cccc(NNC(=O)C2(C(=O)[O-])CCCCCC2)c1C ZINC001604401041 973136536 /nfs/dbraw/zinc/13/65/36/973136536.db2.gz BOLLYQLBZXWPAQ-UHFFFAOYSA-N -1 0 348.399 2.650 20 50 EFGDRM Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001605321923 973161143 /nfs/dbraw/zinc/16/11/43/973161143.db2.gz OYOHZZIDBOEZMR-UONOGXRCSA-N -1 0 334.416 2.831 20 50 EFGDRM C[C@@H]1CCc2sc(C(=O)NNc3ncccc3C(=O)[O-])cc2C1 ZINC001603439822 973220042 /nfs/dbraw/zinc/22/00/42/973220042.db2.gz QUXLJQKDVYGLIZ-SECBINFHSA-N -1 0 331.397 2.723 20 50 EFGDRM O=C([O-])c1ccc(C=CC(=O)NNc2ccnc(C(F)(F)F)c2)o1 ZINC001605660551 974062588 /nfs/dbraw/zinc/06/25/88/974062588.db2.gz WMPXWEFBLVARCO-RQOWECAXSA-N -1 0 341.245 2.548 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CC[C@H]1CCc2ccccc21 ZINC001605677148 974090882 /nfs/dbraw/zinc/09/08/82/974090882.db2.gz PMNKYPQXCBYWGX-CYBMUJFWSA-N -1 0 325.368 2.733 20 50 EFGDRM N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)NCc1ccc(F)cc1F ZINC000490662567 974255637 /nfs/dbraw/zinc/25/56/37/974255637.db2.gz BPVFUBHNHNBJEN-VGOFMYFVSA-N -1 0 342.301 2.886 20 50 EFGDRM CCOc1ccc(/C=C(/C#N)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC001603861072 974364485 /nfs/dbraw/zinc/36/44/85/974364485.db2.gz JXTNZZAHWVMLCF-QOCWYBFNSA-N -1 0 342.395 2.561 20 50 EFGDRM CCc1cc(OCC(=O)NNc2ncccc2C(=O)[O-])ccc1Cl ZINC001603969251 974455573 /nfs/dbraw/zinc/45/55/73/974455573.db2.gz DFCCLOMITDUKAE-UHFFFAOYSA-N -1 0 349.774 2.518 20 50 EFGDRM Cc1ccc(-c2cc(C(=O)NN=Cc3ccc(C(=O)[O-])cc3)[nH]n2)cc1 ZINC000585657397 974960569 /nfs/dbraw/zinc/96/05/69/974960569.db2.gz POGPPLUGSOOQAA-UHFFFAOYSA-N -1 0 348.362 2.847 20 50 EFGDRM CC(C)Oc1ccccc1CC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001591801155 976015429 /nfs/dbraw/zinc/01/54/29/976015429.db2.gz JJKCDGLEFPLKBZ-UHFFFAOYSA-N -1 0 346.358 2.997 20 50 EFGDRM CC(C)[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)C(F)(F)F ZINC001591886046 976253925 /nfs/dbraw/zinc/25/39/25/976253925.db2.gz WWKBSIZSYANBMO-JTQLQIEISA-N -1 0 337.273 2.737 20 50 EFGDRM CC(C)c1ccc(NNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001591973569 976577513 /nfs/dbraw/zinc/57/75/13/976577513.db2.gz AYNXPHUULYRTDV-XOUADPBQSA-N -1 0 331.416 2.935 20 50 EFGDRM CC(C)c1ncncc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592039557 976763000 /nfs/dbraw/zinc/76/30/00/976763000.db2.gz MQZBGZYBSMRIJL-UHFFFAOYSA-N -1 0 334.763 2.709 20 50 EFGDRM CC(C)n1ncc(C(=O)NNc2cccc(F)c2C(=O)[O-])c1Cl ZINC001592153576 977027735 /nfs/dbraw/zinc/02/77/35/977027735.db2.gz OZJUHEFKQJZHDI-UHFFFAOYSA-N -1 0 340.742 2.712 20 50 EFGDRM C[C@H](C1CC1)n1cc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cn1 ZINC001592182288 977115493 /nfs/dbraw/zinc/11/54/93/977115493.db2.gz WSCDXHJAAFZCQG-SECBINFHSA-N -1 0 347.350 2.840 20 50 EFGDRM C[C@H](CC(=O)[O-])CC(=O)NNc1ccc(F)cc1Br ZINC001592391815 977939366 /nfs/dbraw/zinc/93/93/66/977939366.db2.gz RQBVERPTDYCUKA-ZETCQYMHSA-N -1 0 333.157 2.532 20 50 EFGDRM C[C@H](CC=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)C(=O)[O-] ZINC001592463713 978191477 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CC(C)CCSCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736435237 978335455 /nfs/dbraw/zinc/33/54/55/978335455.db2.gz FITHFJSCCYVKFI-UHFFFAOYSA-N -1 0 327.358 2.978 20 50 EFGDRM CC(C)c1nc(C#N)c(NNC(=O)c2cccc(NC(=O)[O-])c2)o1 ZINC000736522164 978340182 /nfs/dbraw/zinc/34/01/82/978340182.db2.gz AXYNLKGZLKEKSN-UHFFFAOYSA-N -1 0 329.316 2.516 20 50 EFGDRM C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736709049 978351808 /nfs/dbraw/zinc/35/18/08/978351808.db2.gz MYVMVUGBFRZMHL-SECBINFHSA-N -1 0 349.270 2.805 20 50 EFGDRM C[C@H]1CCCC[C@@H]1OCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736786956 978356034 /nfs/dbraw/zinc/35/60/34/978356034.db2.gz XKOLKHXZELQMSR-HZMBPMFUSA-N -1 0 337.328 2.794 20 50 EFGDRM CC[C@H](C(=O)NNC(=O)c1ccccc1NC(=O)[O-])c1ccccc1 ZINC000736846390 978360031 /nfs/dbraw/zinc/36/00/31/978360031.db2.gz HRWVVKYMAGLYOK-ZDUSSCGKSA-N -1 0 341.367 2.731 20 50 EFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1C ZINC000737003797 978372118 /nfs/dbraw/zinc/37/21/18/978372118.db2.gz KASCHEDFFHVPJY-VGSSETLESA-N -1 0 345.443 2.991 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@](C)(C(=O)[O-])C2CC2)c1C ZINC000737050130 978376186 /nfs/dbraw/zinc/37/61/86/978376186.db2.gz KAKYVFFFPLQNNO-XZGNNNQISA-N -1 0 343.427 2.791 20 50 EFGDRM CN(C)c1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000737386049 978401725 /nfs/dbraw/zinc/40/17/25/978401725.db2.gz KCDKVSKPQGQKIN-UHFFFAOYSA-N -1 0 330.296 2.578 20 50 EFGDRM C[C@@H](CCc1ccco1)NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592552129 978437250 /nfs/dbraw/zinc/43/72/50/978437250.db2.gz NGHSTMQBYVMIOY-JTQLQIEISA-N -1 0 335.335 2.764 20 50 EFGDRM COc1cc(Cl)ccc1C(=O)NN=Cc1cc(C(=O)[O-])ccc1O ZINC000737890003 978454620 /nfs/dbraw/zinc/45/46/20/978454620.db2.gz YHUSITWXFBCPIG-UHFFFAOYSA-N -1 0 348.742 2.516 20 50 EFGDRM COc1cc([N+](=O)[O-])ccc1OC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737906259 978456880 /nfs/dbraw/zinc/45/68/80/978456880.db2.gz ZBQMNFITAUNBGC-UHFFFAOYSA-N -1 0 345.307 2.840 20 50 EFGDRM Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NNC(=O)[O-] ZINC000738321209 978516406 /nfs/dbraw/zinc/51/64/06/978516406.db2.gz RGQBADOCYMHCST-UHFFFAOYSA-N -1 0 336.351 2.760 20 50 EFGDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NNC(=O)[O-] ZINC000738473728 978544469 /nfs/dbraw/zinc/54/44/69/978544469.db2.gz GICCTXOEFSZYGB-UHFFFAOYSA-N -1 0 340.339 2.750 20 50 EFGDRM O=C([O-])c1ccc(-c2ccc(C=NNC(=O)Cc3cccnc3)o2)cc1 ZINC000738482639 978545854 /nfs/dbraw/zinc/54/58/54/978545854.db2.gz YEZIDRGOBHUGLE-UHFFFAOYSA-N -1 0 349.346 2.733 20 50 EFGDRM Cc1ccc(OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1C ZINC000738638092 978578907 /nfs/dbraw/zinc/57/89/07/978578907.db2.gz FKKBIQVWKABBCI-UHFFFAOYSA-N -1 0 345.307 2.894 20 50 EFGDRM O=C([O-])Nc1ccc(C(=O)NNC(=O)CCCc2cccs2)cc1 ZINC000738660347 978584024 /nfs/dbraw/zinc/58/40/24/978584024.db2.gz IXYCDWPATFHSSY-UHFFFAOYSA-N -1 0 347.396 2.622 20 50 EFGDRM Cc1ccc(SCC(=O)NN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738667988 978585312 /nfs/dbraw/zinc/58/53/12/978585312.db2.gz OPILBELJFARHMN-MRXNPFEDSA-N -1 0 348.399 2.673 20 50 EFGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000738923308 978609762 /nfs/dbraw/zinc/60/97/62/978609762.db2.gz SWFDWDXTUYPGGW-UHFFFAOYSA-N -1 0 335.791 2.998 20 50 EFGDRM Cn1c2ccccc2sc1=NNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738996812 978612014 /nfs/dbraw/zinc/61/20/14/978612014.db2.gz BLXFZGSKOZTUIS-UHFFFAOYSA-N -1 0 342.380 2.575 20 50 EFGDRM N#Cc1ccccc1/C=C/C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000739146671 978619246 /nfs/dbraw/zinc/61/92/46/978619246.db2.gz KUSDZLPJAKXKAT-VMPITWQZSA-N -1 0 338.275 2.783 20 50 EFGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)Cc3ccccc3F)c2c1 ZINC000739346521 978631416 /nfs/dbraw/zinc/63/14/16/978631416.db2.gz YYSOFJSLAYIBOE-UHFFFAOYSA-N -1 0 339.326 2.698 20 50 EFGDRM O=C([O-])NNC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000740003853 978662511 /nfs/dbraw/zinc/66/25/11/978662511.db2.gz VGKQAIVRJHUXMO-UHFFFAOYSA-N -1 0 337.282 2.848 20 50 EFGDRM O=C([O-])Nc1ccccc1C(=O)NNC(=O)c1cccc(Cl)c1 ZINC000740045316 978664935 /nfs/dbraw/zinc/66/49/35/978664935.db2.gz HSBQFQCYJOFXEW-UHFFFAOYSA-N -1 0 333.731 2.505 20 50 EFGDRM CCCC[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)[O-] ZINC000764915747 978724015 /nfs/dbraw/zinc/72/40/15/978724015.db2.gz PCMMFJPRVAUHSA-AWEZNQCLSA-N -1 0 347.864 2.780 20 50 EFGDRM N#C/C(=C\c1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C(=O)C1CCCC1 ZINC000781556308 978791149 /nfs/dbraw/zinc/79/11/49/978791149.db2.gz WTGZKCBCDYZJQE-NTUHNPAUSA-N -1 0 344.323 2.724 20 50 EFGDRM CC(C)CCOc1ccc(C(=O)NN=Cc2c[nH]c(C(=O)[O-])c2)cc1 ZINC000814736654 978877990 /nfs/dbraw/zinc/87/79/90/978877990.db2.gz RTHALIBDOKPACC-UHFFFAOYSA-N -1 0 343.383 2.902 20 50 EFGDRM C[C@@H]1C(=NNC(=O)Cc2c[nH]c3ccccc23)CC[C@H]1CC(=O)[O-] ZINC000814747295 978879749 /nfs/dbraw/zinc/87/97/49/978879749.db2.gz NVTUGKWUVXYSRF-RYUDHWBXSA-N -1 0 327.384 2.703 20 50 EFGDRM Cc1ccc(NCC(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)c(C)c1 ZINC000814758252 978881942 /nfs/dbraw/zinc/88/19/42/978881942.db2.gz NEWDMMMOUAXTCM-KGLIPLIRSA-N -1 0 331.416 2.708 20 50 EFGDRM C[C@@H]1CCc2sc(C(=O)NN=Cc3c[nH]c(C(=O)[O-])c3)cc2C1 ZINC000814759544 978882044 /nfs/dbraw/zinc/88/20/44/978882044.db2.gz GRWPSZMPBUYHKQ-SECBINFHSA-N -1 0 331.397 2.663 20 50 EFGDRM C[C@@H]1C(=NNC(=O)c2cn(C)c3ccccc23)CC[C@H]1CC(=O)[O-] ZINC000814777067 978883963 /nfs/dbraw/zinc/88/39/63/978883963.db2.gz LKBZFJRFGKQDJK-RYUDHWBXSA-N -1 0 327.384 2.785 20 50 EFGDRM COc1ccc(CCC(=O)NN=C(C)c2cc(C(=O)[O-])cs2)cc1 ZINC000814814194 978888363 /nfs/dbraw/zinc/88/83/63/978888363.db2.gz AVBLFZKQNLRWBK-UHFFFAOYSA-N -1 0 346.408 2.928 20 50 EFGDRM C[C@@H]1C(=NNC(=O)c2cccc(OC(F)F)c2)CC[C@H]1CC(=O)[O-] ZINC000814835115 978890894 /nfs/dbraw/zinc/89/08/94/978890894.db2.gz HXAPNULRLNSAKY-UWVGGRQHSA-N -1 0 340.326 2.895 20 50 EFGDRM C[C@H]1C(=NNC(=O)Cn2ccc3ccccc32)CC[C@@H]1CC(=O)[O-] ZINC000814839054 978891481 /nfs/dbraw/zinc/89/14/81/978891481.db2.gz JKKAXJKQXALKAR-TZMCWYRMSA-N -1 0 327.384 2.634 20 50 EFGDRM C[C@H]1C(=NNC(=O)C(F)(F)Oc2ccccc2)CC[C@@H]1CC(=O)[O-] ZINC000814855876 978893099 /nfs/dbraw/zinc/89/30/99/978893099.db2.gz VBCMOMHGMPIAAI-GHMZBOCLSA-N -1 0 340.326 2.651 20 50 EFGDRM CC[C@@H](C)c1ncc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cn1 ZINC001595017937 979086416 /nfs/dbraw/zinc/08/64/16/979086416.db2.gz NHBHBTIHFVLYCU-SECBINFHSA-N -1 0 347.350 2.976 20 50 EFGDRM C[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)Oc1ccccc1 ZINC001592676599 979097179 /nfs/dbraw/zinc/09/71/79/979097179.db2.gz SAYJPOCYXZLXFT-NSHDSACASA-N -1 0 347.346 2.618 20 50 EFGDRM CC[C@@H](C)n1nccc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001595030033 979163679 /nfs/dbraw/zinc/16/36/79/979163679.db2.gz JWXMJGFTKCABNR-SECBINFHSA-N -1 0 333.300 2.680 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000836717975 979248539 /nfs/dbraw/zinc/24/85/39/979248539.db2.gz RLDMUPLEUFKUEV-LLVKDONJSA-N -1 0 328.206 2.811 20 50 EFGDRM CC(C)(CCNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)[O-] ZINC000836750305 979253354 /nfs/dbraw/zinc/25/33/54/979253354.db2.gz LTXSJZJYPOOGGL-PKFCDNJMSA-N -1 0 332.238 2.557 20 50 EFGDRM C[C@H](COCC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001592770760 979384658 /nfs/dbraw/zinc/38/46/58/979384658.db2.gz YNBADUNXCZCRDZ-GFCCVEGCSA-N -1 0 346.358 2.787 20 50 EFGDRM C[C@H](CSCc1ccccc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001592824983 979539906 /nfs/dbraw/zinc/53/99/06/979539906.db2.gz APUGIPAXGUXTTE-GFCCVEGCSA-N -1 0 345.424 2.792 20 50 EFGDRM C[C@@H](CSc1ccc(F)cc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001592829844 979551512 /nfs/dbraw/zinc/55/15/12/979551512.db2.gz DSONPHWOMLXYHQ-JTQLQIEISA-N -1 0 349.387 2.790 20 50 EFGDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592833339 979570915 /nfs/dbraw/zinc/57/09/15/979570915.db2.gz GACUKGDBABLLDS-NSHDSACASA-N -1 0 341.342 2.717 20 50 EFGDRM C[C@H](Cn1ncc2ccccc21)C(=O)NNc1ccccc1C(=O)[O-] ZINC001592929117 979954348 /nfs/dbraw/zinc/95/43/48/979954348.db2.gz CFFNUBHTUNULEF-GFCCVEGCSA-N -1 0 338.367 2.514 20 50 EFGDRM CC(F)(F)CC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001592935528 979997964 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EFGDRM CCCOc1nc(C)ccc1C(=O)NNc1ccccc1C(=O)[O-] ZINC001595975711 983213207 /nfs/dbraw/zinc/21/32/07/983213207.db2.gz OJSFYYPVYSNVLV-UHFFFAOYSA-N -1 0 329.356 2.634 20 50 EFGDRM CCCOc1nc(C)ccc1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595976098 983214723 /nfs/dbraw/zinc/21/47/23/983214723.db2.gz ZJUZMPGFZJOZCO-UHFFFAOYSA-N -1 0 347.346 2.773 20 50 EFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2C(=O)[O-])c1C ZINC001574494380 983251775 /nfs/dbraw/zinc/25/17/75/983251775.db2.gz CKQVPJCYWOGKTE-ABPVARSCSA-N -1 0 343.427 2.888 20 50 EFGDRM C#C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1 ZINC001588373581 983339097 /nfs/dbraw/zinc/33/90/97/983339097.db2.gz HWQHCWMFIFELNK-CYBMUJFWSA-N -1 0 327.315 2.525 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CC2CC2)C(=O)[O-])c1C ZINC001596108142 983433315 /nfs/dbraw/zinc/43/33/15/983433315.db2.gz QEPAVSFWRXGKPW-BRVCPTFNSA-N -1 0 343.427 2.791 20 50 EFGDRM CCN(C(C)(C)C(=O)[O-])S(=O)(=O)c1ccc(CCCCl)cc1 ZINC001596177257 983545617 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C[C@@H]1Cc2cc(C(=O)NNc3cccc(C(=O)[O-])c3F)ccc2O1 ZINC001594616859 986637034 /nfs/dbraw/zinc/63/70/34/986637034.db2.gz XUQKFMVDAUIXFB-SECBINFHSA-N -1 0 330.315 2.604 20 50 EFGDRM C[C@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1cn(C)c2ccccc12 ZINC001589424680 986696194 /nfs/dbraw/zinc/69/61/94/986696194.db2.gz ZKUFLAKERGHARZ-NSHDSACASA-N -1 0 338.367 2.518 20 50 EFGDRM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001594651918 986879211 /nfs/dbraw/zinc/87/92/11/986879211.db2.gz XHWJFBNGCJJHES-RFAUZJTJSA-N -1 0 345.330 2.672 20 50 EFGDRM CCSc1cccnc1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001597279967 987347236 /nfs/dbraw/zinc/34/72/36/987347236.db2.gz PKGSBHYJIUNXML-UHFFFAOYSA-N -1 0 335.360 2.788 20 50 EFGDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H]2Br)C1 ZINC001589602949 987438841 /nfs/dbraw/zinc/43/88/41/987438841.db2.gz LWKLVWQTSQQSQZ-GPCCPHFNSA-N -1 0 332.238 2.509 20 50 EFGDRM CCc1[nH]c(C(=O)OC[C@H](C)CBr)c(C)c1C(=O)[O-] ZINC001597379267 987570266 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CCc1cccc(OCC(=O)NNc2cccc(C(=O)[O-])c2C)c1 ZINC001597597836 988447919 /nfs/dbraw/zinc/44/79/19/988447919.db2.gz HTWNBSMNAQPGKE-UHFFFAOYSA-N -1 0 328.368 2.778 20 50 EFGDRM CSc1ccc(NNC(=O)NCc2ccccc2CC(=O)[O-])cc1 ZINC001599820860 988511026 /nfs/dbraw/zinc/51/10/26/988511026.db2.gz OQPKTJDAVZNSFT-UHFFFAOYSA-N -1 0 345.424 2.862 20 50 EFGDRM CC(C)(C)OC1CC(CC(=O)NNc2ccc(CC(=O)[O-])cc2)C1 ZINC001590374648 989869980 /nfs/dbraw/zinc/86/99/80/989869980.db2.gz PVZLLJLUMQVPSZ-UHFFFAOYSA-N -1 0 334.416 2.741 20 50 EFGDRM CCn1nc(C(C)C)cc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001597928099 989880972 /nfs/dbraw/zinc/88/09/72/989880972.db2.gz HFOVBYUYNWPETB-UHFFFAOYSA-N -1 0 347.327 2.852 20 50 EFGDRM CCn1ncc(C(=O)NNc2cccc(C(=O)[O-])c2C)c1C1CC1 ZINC001597953564 989952159 /nfs/dbraw/zinc/95/21/59/989952159.db2.gz LHPMXYPSBRYLSB-UHFFFAOYSA-N -1 0 328.372 2.544 20 50 EFGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001590451914 990016113 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COc1ccccc1C[C@@H](C)CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001599708400 991328025 /nfs/dbraw/zinc/32/80/25/991328025.db2.gz IAGYVARBFDFZLS-GFCCVEGCSA-N -1 0 343.383 2.500 20 50 EFGDRM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001598333414 991373345 /nfs/dbraw/zinc/37/33/45/991373345.db2.gz DEXCXEKCISTYGF-DLBZAZTESA-N -1 0 339.395 2.698 20 50 EFGDRM CC(C)[C@H]1C[C@H](CC(=O)NNc2ccc(C(=O)[O-])c(F)c2)CCO1 ZINC001591072524 991535567 /nfs/dbraw/zinc/53/55/67/991535567.db2.gz MWKCWBUTCILFNR-IAQYHMDHSA-N -1 0 338.379 2.808 20 50 EFGDRM CC(C)[C@H]1C[C@@H](CC(=O)NNc2cccc(F)c2C(=O)[O-])CCO1 ZINC001591073036 991538941 /nfs/dbraw/zinc/53/89/41/991538941.db2.gz QUOMFTKLUULOHK-SMDDNHRTSA-N -1 0 338.379 2.808 20 50 EFGDRM COc1ccsc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599722730 991567578 /nfs/dbraw/zinc/56/75/78/991567578.db2.gz YXMXRHSSIOCVFG-UHFFFAOYSA-N -1 0 326.761 2.865 20 50 EFGDRM CC(C)C[C@H](C)CC(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001591132591 991831068 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C[C@H](Oc1cccc(Cl)c1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833541062 605258814 /nfs/dbraw/zinc/25/88/14/605258814.db2.gz QYNCLTMXZWJUBK-JTQLQIEISA-N -1 0 334.759 2.949 20 50 EFGDRM CCc1ccc(C(=O)NN=C(C)c2ccccc2OCC(=O)[O-])cc1 ZINC000833670360 605327404 /nfs/dbraw/zinc/32/74/04/605327404.db2.gz UWCKYSZBTQJNBD-UHFFFAOYSA-N -1 0 340.379 2.866 20 50 EFGDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833453205 605631033 /nfs/dbraw/zinc/63/10/33/605631033.db2.gz XTQHFTNWQMTZRO-UHFFFAOYSA-N -1 0 341.371 2.962 20 50 EFGDRM CC(C)(CC(=O)[O-])CC(=O)NNc1ccc(Br)cc1 ZINC000833454270 605680020 /nfs/dbraw/zinc/68/00/20/605680020.db2.gz IIKKWAKZKDGVIV-UHFFFAOYSA-N -1 0 329.194 2.783 20 50 EFGDRM CC(C)(CC(=O)[O-])CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000833455644 605717522 /nfs/dbraw/zinc/71/75/22/605717522.db2.gz MHJUVKGLZFOARL-UHFFFAOYSA-N -1 0 329.740 2.582 20 50 EFGDRM CC(C)Oc1ncc(C(=O)NNc2ccccc2C(=O)[O-])cc1Cl ZINC000833508381 605721826 /nfs/dbraw/zinc/72/18/26/605721826.db2.gz ZMLDUBRJPDIBHO-UHFFFAOYSA-N -1 0 349.774 2.977 20 50 EFGDRM COc1ccc(/C=C/C(=O)NNc2cccc(C(=O)[O-])c2)cc1OC ZINC000833732245 605731838 /nfs/dbraw/zinc/73/18/38/605731838.db2.gz JJGGAUBUOGYBAF-VQHVLOKHSA-N -1 0 342.351 2.559 20 50 EFGDRM CC1(C)Cc2ccc(C(=O)NNc3cccc(C(=O)[O-])c3)c(O)c2O1 ZINC000833562155 605733227 /nfs/dbraw/zinc/73/32/27/605733227.db2.gz KPADXOFYGHWBLP-UHFFFAOYSA-N -1 0 342.351 2.561 20 50 EFGDRM COc1ccc(C2(C(=O)NNc3cccc(C(=O)[O-])c3)CCC2)cc1 ZINC000833730670 605735891 /nfs/dbraw/zinc/73/58/91/605735891.db2.gz ACKMKRUHDCFLEW-UHFFFAOYSA-N -1 0 340.379 2.958 20 50 EFGDRM C[C@H]1CCCC[C@@H]1OCCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833612661 605742296 /nfs/dbraw/zinc/74/22/96/605742296.db2.gz PZAGQJRMEBNLSU-WFASDCNBSA-N -1 0 335.404 2.606 20 50 EFGDRM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833422383 605742913 /nfs/dbraw/zinc/74/29/13/605742913.db2.gz FRUQMPZUUYENPK-UKRRQHHQSA-N -1 0 349.431 2.852 20 50 EFGDRM CCO[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C12CCCC2 ZINC000833660988 605744876 /nfs/dbraw/zinc/74/48/76/605744876.db2.gz RUSBHTXQIXCNHK-GJZGRUSLSA-N -1 0 347.415 2.749 20 50 EFGDRM CC(C)(CNC(=O)NNc1cccc(C(=O)[O-])c1)[C@H]1CCCCO1 ZINC000833459238 605745393 /nfs/dbraw/zinc/74/53/93/605745393.db2.gz MVCBQIRVWXUATK-CQSZACIVSA-N -1 0 335.404 2.606 20 50 EFGDRM CC(C)C[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CCO1 ZINC000833481166 605748107 /nfs/dbraw/zinc/74/81/07/605748107.db2.gz TZBATQFMHKXBLS-HIFRSBDPSA-N -1 0 335.404 2.605 20 50 EFGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000833522195 605748147 /nfs/dbraw/zinc/74/81/47/605748147.db2.gz YSFMBIGDDJTNJZ-SNVBAGLBSA-N -1 0 344.327 2.680 20 50 EFGDRM CCCc1ccccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825348588 1428429573 /nfs/dbraw/zinc/42/95/73/1428429573.db2.gz QYCUYRGOUFNQDI-UHFFFAOYSA-N -1 0 337.387 2.968 20 50 EFGDRM O=C(CCC1CC1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822950681 1428718823 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O=C(CCC1CCCCC1)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822950409 1425785426 /nfs/dbraw/zinc/78/54/26/1425785426.db2.gz NDVZRHBTNAVHGY-UHFFFAOYSA-N -1 0 332.433 2.739 20 50 EFGDRM N#CC(=Cc1ccc2c(c1)CCO2)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379027 1426366099 /nfs/dbraw/zinc/36/60/99/1426366099.db2.gz HLCKFXRHQQTXEC-CXUHLZMHSA-N -1 0 343.346 2.591 20 50 EFGDRM Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826307448 1426373824 /nfs/dbraw/zinc/37/38/24/1426373824.db2.gz IOXOCCWUGZHGSB-MDWZMJQESA-N -1 0 348.341 2.860 20 50 EFGDRM CC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948303 1426652329 /nfs/dbraw/zinc/65/23/29/1426652329.db2.gz JVJIDWIWZFTYIB-UHFFFAOYSA-N -1 0 346.803 2.736 20 50 EFGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc2c(s1)CCCC2 ZINC000826449005 1426788480 /nfs/dbraw/zinc/78/84/80/1426788480.db2.gz XIVJWSDWQLLNIV-UHFFFAOYSA-N -1 0 340.412 2.564 20 50 EFGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCCC2 ZINC000826448591 1426865417 /nfs/dbraw/zinc/86/54/17/1426865417.db2.gz BQOROYHHIJOXLJ-UHFFFAOYSA-N -1 0 334.383 2.502 20 50 EFGDRM CCCCCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821043463 1427404057 /nfs/dbraw/zinc/40/40/57/1427404057.db2.gz QFBAEXRZNNAJRL-UHFFFAOYSA-N -1 0 342.325 2.909 20 50 EFGDRM C=C[C@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883733 1430100843 /nfs/dbraw/zinc/10/08/43/1430100843.db2.gz ZDPNWDMEJPTYAJ-CYBMUJFWSA-N -1 0 334.383 2.670 20 50 EFGDRM CCc1ccc([C@@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825704632 1441436784 /nfs/dbraw/zinc/43/67/84/1441436784.db2.gz LDPXEOGDFCLYEC-GFCCVEGCSA-N -1 0 336.399 2.676 20 50 EFGDRM Cc1cc(C)c(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC000822194332 1441522440 /nfs/dbraw/zinc/52/24/40/1441522440.db2.gz SJOWXHDINNVORN-JYRVWZFOSA-N -1 0 348.366 2.931 20 50 EFGDRM Cn1c2ccccc2nc1C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826355048 1441684523 /nfs/dbraw/zinc/68/45/23/1441684523.db2.gz HZUUOTRDHKQTBZ-WQLSENKSSA-N -1 0 345.341 2.957 20 50 EFGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000826448835 1441815280 /nfs/dbraw/zinc/81/52/80/1441815280.db2.gz NYBOSDUGICRZFX-UHFFFAOYSA-N -1 0 348.288 2.642 20 50 EFGDRM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826191009 1442102687 /nfs/dbraw/zinc/10/26/87/1442102687.db2.gz UHZCYBDEPQUNDF-OQLLNIDSSA-N -1 0 331.335 2.665 20 50 EFGDRM CC[C@@H](Cc1ccccc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825128216 1442236376 /nfs/dbraw/zinc/23/63/76/1442236376.db2.gz RXPOLCHWAXQQLV-AWEZNQCLSA-N -1 0 336.399 2.579 20 50 EFGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc2cc(F)ccc2o1 ZINC000826448599 1442470561 /nfs/dbraw/zinc/47/05/61/1442470561.db2.gz CEIWWDBYWUWDRB-UHFFFAOYSA-N -1 0 338.302 2.509 20 50 EFGDRM CC(C)CC1(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000820062210 1443545680 /nfs/dbraw/zinc/54/56/80/1443545680.db2.gz JSKRDAAUQGPDGC-UHFFFAOYSA-N -1 0 343.435 2.709 20 50 EFGDRM O=C(CC=Cc1cccc(F)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404575 1443821387 /nfs/dbraw/zinc/82/13/87/1443821387.db2.gz FMTIBDIAVOQMQN-RQOWECAXSA-N -1 0 338.346 2.552 20 50 EFGDRM CCCC(Cc1ccccc1)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736426645 1443931155 /nfs/dbraw/zinc/93/11/55/1443931155.db2.gz SLSFQBZCKUSLDJ-UHFFFAOYSA-N -1 0 348.410 2.995 20 50 EFGDRM Cc1c2cccc(C)c2oc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826234884 1446267702 /nfs/dbraw/zinc/26/77/02/1446267702.db2.gz SHQYPZCDAFRCIH-UHFFFAOYSA-N -1 0 348.366 2.987 20 50 EFGDRM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1C ZINC000735448136 1446293587 /nfs/dbraw/zinc/29/35/87/1446293587.db2.gz QAYOJCMTOBLEDT-UHFFFAOYSA-N -1 0 334.383 2.638 20 50 EFGDRM CC(C)(C)c1ccc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000819959144 1446694556 /nfs/dbraw/zinc/69/45/56/1446694556.db2.gz ZVZMRWSKYRTGBX-UHFFFAOYSA-N -1 0 338.371 2.521 20 50 EFGDRM CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736420344 1446914051 /nfs/dbraw/zinc/91/40/51/1446914051.db2.gz RXYHMTBUCROTFP-KAQJVSAMSA-N -1 0 325.372 2.788 20 50 EFGDRM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826191008 1447040273 /nfs/dbraw/zinc/04/02/73/1447040273.db2.gz UHZCYBDEPQUNDF-DHDCSXOGSA-N -1 0 331.335 2.665 20 50 EFGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000826448523 1447125933 /nfs/dbraw/zinc/12/59/33/1447125933.db2.gz YQPUVFCTGSJKRG-UHFFFAOYSA-N -1 0 349.181 2.930 20 50 EFGDRM CCC(Cc1ccc(C)cc1)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736352504 1449046340 /nfs/dbraw/zinc/04/63/40/1449046340.db2.gz LVAYQRSMSGGRKN-UHFFFAOYSA-N -1 0 348.410 2.914 20 50 EFGDRM CC(C)[C@H]1CCCC[C@@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000735749619 1449141679 /nfs/dbraw/zinc/14/16/79/1449141679.db2.gz NTNXQRXKMBMIEN-CABCVRRESA-N -1 0 343.435 2.708 20 50 EFGDRM N#CC(=Cc1ccc(C#N)cc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379512 1449244544 /nfs/dbraw/zinc/24/45/44/1449244544.db2.gz UHNVMAAJGHXGDC-CHHVJCJISA-N -1 0 344.309 2.667 20 50 EFGDRM C[C@@]1(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CCc2ccccc2C1 ZINC000824784255 1449249370 /nfs/dbraw/zinc/24/93/70/1449249370.db2.gz QAGCRKSCOYANPP-LJQANCHMSA-N -1 0 348.410 2.505 20 50 EFGDRM O=C(C=CSc1ccccc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826399919 1449328336 /nfs/dbraw/zinc/32/83/36/1449328336.db2.gz JZTSPMSMJATVPU-KHPPLWFESA-N -1 0 338.396 2.616 20 50 EFGDRM CN(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825880177 1449553038 /nfs/dbraw/zinc/55/30/38/1449553038.db2.gz XEFBMEXSSROTIC-YBEGLDIGSA-N -1 0 344.378 2.723 20 50 EFGDRM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1cccc(C#N)c1 ZINC000826379522 1449747455 /nfs/dbraw/zinc/74/74/55/1449747455.db2.gz UJKUZZUQPRCRJX-XGICHPGQSA-N -1 0 332.348 2.590 20 50 EFGDRM CN(C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1)C1CCCCC1 ZINC000821569369 1449840003 /nfs/dbraw/zinc/84/00/03/1449840003.db2.gz IBXONZBCHWKNRV-XFFZJAGNSA-N -1 0 342.428 2.626 20 50 EFGDRM CC(C)=C[C@@H]1[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000824178484 1450257043 /nfs/dbraw/zinc/25/70/43/1450257043.db2.gz UNMIRVKJUNHTQQ-KGLIPLIRSA-N -1 0 326.404 2.548 20 50 EFGDRM COc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821854774 1450306894 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O=C([O-])c1cccnc1NNC(=O)C1(c2nccc3ccccc32)CC1 ZINC001595262213 949681870 /nfs/dbraw/zinc/68/18/70/949681870.db2.gz VGSPZBGIIHMALH-UHFFFAOYSA-N -1 0 348.362 2.503 20 50 EFGDRM CCCCNc1ccccc1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589650383 949773701 /nfs/dbraw/zinc/77/37/01/949773701.db2.gz MYGONJFMXGXNRK-UHFFFAOYSA-N -1 0 328.372 2.749 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](CC)C(=O)[O-])c1C ZINC001589694311 950150973 /nfs/dbraw/zinc/15/09/73/950150973.db2.gz CHHWNSHOCWUYCK-SLVCOGOPSA-N -1 0 331.416 2.649 20 50 EFGDRM CCOc1ccc(/C=C(/C#N)C(=O)NCCCCCC(=O)[O-])cc1 ZINC001592425568 951326589 /nfs/dbraw/zinc/32/65/89/951326589.db2.gz BONJNKUHCOWRHB-QINSGFPZSA-N -1 0 330.384 2.753 20 50 EFGDRM O=C([O-])Cc1cccc(NC(=O)NNc2c(F)cc(F)cc2F)c1 ZINC001595131754 952035149 /nfs/dbraw/zinc/03/51/49/952035149.db2.gz JAHVPIHPAPQBGH-UHFFFAOYSA-N -1 0 339.273 2.880 20 50 EFGDRM CC(C)(C)c1ccc(NNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001602923166 971885127 /nfs/dbraw/zinc/88/51/27/971885127.db2.gz 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ZINC001594780200 953623927 /nfs/dbraw/zinc/62/39/27/953623927.db2.gz NLRLYKIJFRCPQF-UHFFFAOYSA-N -1 0 340.261 2.947 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Nc1ccnn1C1CCCCC1 ZINC001594781085 953628901 /nfs/dbraw/zinc/62/89/01/953628901.db2.gz GDSSNHGPJRZRJW-UHFFFAOYSA-N -1 0 344.375 2.630 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1cscc1C(F)(F)F ZINC001594781079 953628985 /nfs/dbraw/zinc/62/89/85/953628985.db2.gz FXKJCHMYYMLIMD-UHFFFAOYSA-N -1 0 331.275 2.617 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001594781010 953629183 /nfs/dbraw/zinc/62/91/83/953629183.db2.gz CLOSSOATGDHVKW-UHFFFAOYSA-N -1 0 330.731 2.671 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Nc1ccc(C2CCC2)cn1 ZINC001594781518 953633949 /nfs/dbraw/zinc/63/39/49/953633949.db2.gz CGTAJLSVEQKEJV-UHFFFAOYSA-N -1 0 327.344 2.591 20 50 EFGDRM O=C([O-])C1(C(=O)NNC(=O)c2ccc(Cl)cc2)CCCCCC1 ZINC001594782626 953646071 /nfs/dbraw/zinc/64/60/71/953646071.db2.gz CNGASUQOOSUKLX-UHFFFAOYSA-N -1 0 338.791 2.526 20 50 EFGDRM O=C([O-])[C@H](C(=O)NN=c1[nH]c2ccc(Cl)cc2s1)C1CC1 ZINC001594835666 954024762 /nfs/dbraw/zinc/02/47/62/954024762.db2.gz KFFIHXSZOHZAPT-JTQLQIEISA-N -1 0 325.777 2.504 20 50 EFGDRM O=C([O-])[C@@H](C(=O)NNc1ccc(Br)cc1)C1CCCC1 ZINC001594835837 954025682 /nfs/dbraw/zinc/02/56/82/954025682.db2.gz MBHOTHILFVADJU-GFCCVEGCSA-N -1 0 341.205 2.783 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2cc(Cl)nc(Cl)c2)CCCCC1 ZINC001594865494 954316242 /nfs/dbraw/zinc/31/62/42/954316242.db2.gz WLVQTNNGCTUKMC-UHFFFAOYSA-N -1 0 332.187 2.867 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2ccnc3cc(Cl)ccc32)CC=CC1 ZINC001594867607 954320059 /nfs/dbraw/zinc/32/00/59/954320059.db2.gz ONHWDFUAYNONSD-UHFFFAOYSA-N -1 0 331.759 2.752 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC001594867719 954321594 /nfs/dbraw/zinc/32/15/94/954321594.db2.gz RDHQSNUCLQKUGG-UHFFFAOYSA-N -1 0 341.751 2.726 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](C)C(=O)[O-])c(C)n1CC(C)C ZINC000738378233 955239450 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O=C([O-])C1CCC(=NNC(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000814789745 955362124 /nfs/dbraw/zinc/36/21/24/955362124.db2.gz JZVKUEIIDNNERQ-UHFFFAOYSA-N -1 0 327.340 2.702 20 50 EFGDRM C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=C1CCC(C(=O)[O-])CC1 ZINC000814916352 955365007 /nfs/dbraw/zinc/36/50/07/955365007.db2.gz GPODWQMIMAWERS-NFJWQWPMSA-N -1 0 338.791 2.854 20 50 EFGDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C1 ZINC000817872853 955376793 /nfs/dbraw/zinc/37/67/93/955376793.db2.gz QSDDMZUVXOGCMH-DXHVMGJMSA-N -1 0 344.249 2.509 20 50 EFGDRM CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000818240129 955387691 /nfs/dbraw/zinc/38/76/91/955387691.db2.gz WSZQOTPRNXYYFA-CCAPLTMGSA-N -1 0 342.395 2.706 20 50 EFGDRM O=C([O-])CCCCNC(=O)NNc1cc(C(F)(F)F)ccc1F ZINC000821518781 955510962 /nfs/dbraw/zinc/51/09/62/955510962.db2.gz JHKLWCCXQACIGX-UHFFFAOYSA-N -1 0 337.273 2.726 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNc2ccccc2Br)cc1 ZINC000821544281 955516433 /nfs/dbraw/zinc/51/64/33/955516433.db2.gz MHUHRCYXIDEGRK-UHFFFAOYSA-N -1 0 335.157 2.904 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNc2cccc(Br)c2)cc1 ZINC000821544543 955518246 /nfs/dbraw/zinc/51/82/46/955518246.db2.gz UBGDTGXZARJCJS-UHFFFAOYSA-N -1 0 335.157 2.904 20 50 EFGDRM C[C@@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)CC[C@@H]1C(=O)[O-] ZINC000823341310 955529159 /nfs/dbraw/zinc/52/91/59/955529159.db2.gz YZHLFZPPFUAHMY-DXHVMGJMSA-N -1 0 344.249 2.509 20 50 EFGDRM C[C@H](CNC(=O)NNc1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC000848588104 955758416 /nfs/dbraw/zinc/75/84/16/955758416.db2.gz OXCKLGZGJVWWBY-RXMQYKEDSA-N -1 0 340.594 2.994 20 50 EFGDRM CC(C)[C@H](CNC(=O)NNc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000848588933 955761588 /nfs/dbraw/zinc/76/15/88/955761588.db2.gz ADDJAPOOJBPJKE-VIFPVBQESA-N -1 0 334.203 2.976 20 50 EFGDRM Cn1nc(C(=O)[O-])cc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F ZINC001594568346 955856679 /nfs/dbraw/zinc/85/66/79/955856679.db2.gz MTQVXEHLHYVTJT-XBXARRHUSA-N -1 0 333.706 2.701 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CCSc1ccc(F)cc1 ZINC001594687847 956721317 /nfs/dbraw/zinc/72/13/17/956721317.db2.gz MXBFVDCKOSOBHF-UHFFFAOYSA-N -1 0 335.360 2.544 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Cc1cc(Cl)ccc1Cl ZINC001594705503 956838586 /nfs/dbraw/zinc/83/85/86/956838586.db2.gz TVMGMRFSWZRCDR-UHFFFAOYSA-N -1 0 340.166 2.772 20 50 EFGDRM CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000006337658 956876040 /nfs/dbraw/zinc/87/60/40/956876040.db2.gz BKLOPPQQYJBMSO-XNTDXEJSSA-N -1 0 349.346 2.889 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)Cc1coc2cc(Cl)ccc12 ZINC001594712010 956892084 /nfs/dbraw/zinc/89/20/84/956892084.db2.gz QLSNSDPNFDHVNT-UHFFFAOYSA-N -1 0 345.742 2.865 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NN=C(c2ccccc2)c2ccccc2)nc1 ZINC000914837070 957094145 /nfs/dbraw/zinc/09/41/45/957094145.db2.gz CUISRQFFMDCQBL-UHFFFAOYSA-N -1 0 345.358 2.962 20 50 EFGDRM O=C([O-])Cc1cccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2F)c1 ZINC001574738702 957681676 /nfs/dbraw/zinc/68/16/76/957681676.db2.gz IAGSADLIZSPGLI-UHFFFAOYSA-N -1 0 348.290 2.510 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1CCSc2ccccc21 ZINC001574819627 957901761 /nfs/dbraw/zinc/90/17/61/957901761.db2.gz AINJVAMYLMMCAL-NSHDSACASA-N -1 0 329.381 2.503 20 50 EFGDRM C[C@]1(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])C[C@@H]1Br ZINC001339926383 957902817 /nfs/dbraw/zinc/90/28/17/957902817.db2.gz OUYXAELKJHOKLA-COPLHBTASA-N -1 0 347.253 2.589 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001574820834 957909809 /nfs/dbraw/zinc/90/98/09/957909809.db2.gz VTWQHGVYMITGEG-SCZZXKLOSA-N -1 0 331.294 2.592 20 50 EFGDRM Cc1cc(NC(=O)NN=c2cnc3ccccc3[nH]2)ccc1C(=O)[O-] ZINC001594323070 958137235 /nfs/dbraw/zinc/13/72/35/958137235.db2.gz MYNVOZLDAIGMQT-UHFFFAOYSA-N -1 0 337.339 2.785 20 50 EFGDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](Br)C(C)(C)C)C1 ZINC001523010828 958238443 /nfs/dbraw/zinc/23/84/43/958238443.db2.gz WXEZYFZWWLCTOS-HZMBPMFUSA-N -1 0 334.254 2.899 20 50 EFGDRM COc1ccc(NNC(=O)C2(C(=O)[O-])CC=CC2)c(C(F)(F)F)c1 ZINC001594105085 958461163 /nfs/dbraw/zinc/46/11/63/958461163.db2.gz CWJBQTUOHWTLBV-UHFFFAOYSA-N -1 0 344.289 2.578 20 50 EFGDRM Cc1ccc(F)cc1NNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001594365038 958485038 /nfs/dbraw/zinc/48/50/38/958485038.db2.gz JPSVLRKZSQUTJH-SFHVURJKSA-N -1 0 345.374 2.803 20 50 EFGDRM Cc1cccc(Br)c1NNC(=O)CCCCC(=O)[O-] ZINC001594386646 958681110 /nfs/dbraw/zinc/68/11/10/958681110.db2.gz SDUXPHOWCVIUOJ-UHFFFAOYSA-N -1 0 329.194 2.846 20 50 EFGDRM CSc1ccc(NNC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC001594194322 959188038 /nfs/dbraw/zinc/18/80/38/959188038.db2.gz XTOYRIONUAAUBO-UHFFFAOYSA-N -1 0 332.381 2.629 20 50 EFGDRM CC(C)Oc1ccc(F)cc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001573554858 959249803 /nfs/dbraw/zinc/24/98/03/959249803.db2.gz JABAUAKATICMEX-UHFFFAOYSA-N -1 0 348.334 2.855 20 50 EFGDRM CC(C)(C(=O)NNC(=O)C1(C(=O)[O-])CCCCCC1)c1ccccc1 ZINC001588610194 959504195 /nfs/dbraw/zinc/50/41/95/959504195.db2.gz VGCNTTHKDHSFJB-UHFFFAOYSA-N -1 0 346.427 2.537 20 50 EFGDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NNc2ccccc2Cl)n1 ZINC001588625067 959566034 /nfs/dbraw/zinc/56/60/34/959566034.db2.gz AGBGQRIKEFFQTN-UHFFFAOYSA-N -1 0 337.767 2.505 20 50 EFGDRM C[C@H](Sc1ccc(F)cc1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001573643329 959627322 /nfs/dbraw/zinc/62/73/22/959627322.db2.gz NSBXSGDJNJVNHJ-VIFPVBQESA-N -1 0 335.360 2.543 20 50 EFGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC001588634417 959638125 /nfs/dbraw/zinc/63/81/25/959638125.db2.gz PQSJRFWASCVEBU-JTQLQIEISA-N -1 0 334.294 2.775 20 50 EFGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNc1cc(Br)ccc1F ZINC001588634672 959641141 /nfs/dbraw/zinc/64/11/41/959641141.db2.gz RDOLYFMAAXSDSQ-SNVBAGLBSA-N -1 0 347.184 2.778 20 50 EFGDRM CC[C@@H](C(=O)NNC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccccc1 ZINC001573760423 960614083 /nfs/dbraw/zinc/61/40/83/960614083.db2.gz ZPBMHSRSCFUYMR-MRXNPFEDSA-N -1 0 340.379 2.648 20 50 EFGDRM CCC(CC)(CNC(=O)NNc1cc(F)cc(Cl)c1)C(=O)[O-] ZINC001573788404 960742549 /nfs/dbraw/zinc/74/25/49/960742549.db2.gz 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CC(C)C[C@H](CNC(=O)NNc1cccc(F)c1Cl)C(=O)[O-] ZINC001588852924 961952520 /nfs/dbraw/zinc/95/25/20/961952520.db2.gz LCRCWDPVACROAC-SECBINFHSA-N -1 0 331.775 2.852 20 50 EFGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2ccnc3cc(Cl)ccc32)C1 ZINC001574578707 962091525 /nfs/dbraw/zinc/09/15/25/962091525.db2.gz LUICWTHUSUKDGC-VHSXEESVSA-N -1 0 333.775 2.832 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCCCC1 ZINC001574633200 962307101 /nfs/dbraw/zinc/30/71/01/962307101.db2.gz CGSOTZLHEWRXBJ-UHFFFAOYSA-N -1 0 331.294 2.579 20 50 EFGDRM CC(C)N(C)c1cccc(NC(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001588915760 962340128 /nfs/dbraw/zinc/34/01/28/962340128.db2.gz XIAXLACTDVPYTP-UHFFFAOYSA-N -1 0 343.387 2.773 20 50 EFGDRM CC(C)Oc1ccccc1NC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001588940886 962531600 /nfs/dbraw/zinc/53/16/00/962531600.db2.gz ZVIHCHNFLXWBLN-UHFFFAOYSA-N -1 0 330.344 2.716 20 50 EFGDRM C=C(C)C[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C)C(=O)[O-] ZINC001573321966 962763484 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CCN(C)[C@H](C(=O)NNc1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001596191737 983567239 /nfs/dbraw/zinc/56/72/39/983567239.db2.gz PXHIHVHXMPAGQL-KRWDZBQOSA-N -1 0 341.411 2.829 20 50 EFGDRM CCOC(=O)C(C#N)=CNc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001596509478 984271358 /nfs/dbraw/zinc/27/13/58/984271358.db2.gz NDWMBIJDJDOGKZ-FPLPWBNLSA-N -1 0 328.246 2.786 20 50 EFGDRM CCOC(=O)Nc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001596683860 984776743 /nfs/dbraw/zinc/77/67/43/984776743.db2.gz WXQPTBMOZSEMLR-UHFFFAOYSA-N -1 0 343.339 2.710 20 50 EFGDRM C[C@H]1CC[C@@H](C(=O)NN=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)O1 ZINC001599906913 984935150 /nfs/dbraw/zinc/93/51/50/984935150.db2.gz SQUMHAVSDYQBBQ-ZBEGNZNMSA-N -1 0 342.351 2.662 20 50 EFGDRM CC(=O)Nc1cc(C(=O)NNc2cccc(C(=O)[O-])c2C)ccc1C ZINC001589170364 985523139 /nfs/dbraw/zinc/52/31/39/985523139.db2.gz KNNTTXQUBLCMIM-UHFFFAOYSA-N -1 0 341.367 2.717 20 50 EFGDRM CC(=O)Nc1ccc(C(=O)NNc2ccccc2C(=O)[O-])cc1Cl ZINC001589186104 985571844 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C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001594624539 986684871 /nfs/dbraw/zinc/68/48/71/986684871.db2.gz XMHODVNLLPSDFI-PELKAZGASA-N -1 0 348.790 2.571 20 50 EFGDRM C[C@H](C(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001589424640 986694995 /nfs/dbraw/zinc/69/49/95/986694995.db2.gz YPNCWCIPBMTLFE-VIFPVBQESA-N -1 0 347.302 2.679 20 50 EFGDRM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001594650788 986872779 /nfs/dbraw/zinc/87/27/79/986872779.db2.gz LCEISJAASYXXGF-BONVTDFDSA-N -1 0 327.340 2.533 20 50 EFGDRM CCOc1cccc(/C=C/C(=O)NNc2ccc(CC(=O)[O-])cc2)c1 ZINC001597151176 986933682 /nfs/dbraw/zinc/93/36/82/986933682.db2.gz YGUYZWVYAUSPEY-DHZHZOJOSA-N -1 0 340.379 2.869 20 50 EFGDRM CCOc1cccc(CCC(=O)NNc2ccc(CC(=O)[O-])cc2)c1 ZINC001597153184 986935835 /nfs/dbraw/zinc/93/58/35/986935835.db2.gz CMUCHSSPCKEHBE-UHFFFAOYSA-N -1 0 342.395 2.788 20 50 EFGDRM CCC(=O)Nc1cccc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001594713299 987182009 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CCc1cc(C(=O)NNc2ccc(C(=O)[O-])cc2F)cc(Cl)n1 ZINC001597432026 987774261 /nfs/dbraw/zinc/77/42/61/987774261.db2.gz VSUNWBJDHXFPOU-UHFFFAOYSA-N -1 0 337.738 2.892 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001589698309 987780058 /nfs/dbraw/zinc/78/00/58/987780058.db2.gz AIBROIWRXZISIK-UEKVPHQBSA-N -1 0 346.265 2.899 20 50 EFGDRM CC(C)(C)[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)C(F)(F)F ZINC001589715933 987854744 /nfs/dbraw/zinc/85/47/44/987854744.db2.gz IAAXCPZDZXFGDV-NSHDSACASA-N -1 0 333.310 2.988 20 50 EFGDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NNC(=O)c1ccccc1F ZINC001597459960 987888700 /nfs/dbraw/zinc/88/87/00/987888700.db2.gz PZKSBRCIZZRCPS-UHFFFAOYSA-N -1 0 345.330 2.553 20 50 EFGDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NN=c1ncc(Cl)c[nH]1 ZINC001597463714 987894078 /nfs/dbraw/zinc/89/40/78/987894078.db2.gz CFZPXYYGYFNXEP-UHFFFAOYSA-N -1 0 335.751 2.539 20 50 EFGDRM CS[C@@H]1CCC[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2C)C1 ZINC001599789118 987977045 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CC(C)(C)OC(=O)[C@H]1CC[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC001590357823 989800022 /nfs/dbraw/zinc/80/00/22/989800022.db2.gz NLAFDWUCVXMNRJ-YPMHNXCESA-N -1 0 348.399 2.586 20 50 EFGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC001590451844 990015731 /nfs/dbraw/zinc/01/57/31/990015731.db2.gz UHLWUFCCYQQAFS-GFCCVEGCSA-N -1 0 327.497 2.864 20 50 EFGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC001590451845 990016165 /nfs/dbraw/zinc/01/61/65/990016165.db2.gz UHLWUFCCYQQAFS-LBPRGKRZSA-N -1 0 327.497 2.864 20 50 EFGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1 ZINC001590452141 990017881 /nfs/dbraw/zinc/01/78/81/990017881.db2.gz YSABRFJDACKTQP-CDEQTRAXSA-N -1 0 339.508 2.864 20 50 EFGDRM CC(C)(C)c1cc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc(Cl)n1 ZINC001590454402 990022309 /nfs/dbraw/zinc/02/23/09/990022309.db2.gz XIVMAIAQOIAZQJ-UHFFFAOYSA-N -1 0 348.790 2.883 20 50 EFGDRM CC(C)(C)n1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001590599910 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1443904398 /nfs/dbraw/zinc/90/43/98/1443904398.db2.gz SJOWXHDINNVORN-MDWZMJQESA-N -1 0 348.366 2.931 20 50 EFGDRM Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1C ZINC000826282124 1444023232 /nfs/dbraw/zinc/02/32/32/1444023232.db2.gz ZABJVXUSWZNUSK-UHFFFAOYSA-N -1 0 342.790 2.894 20 50 EFGDRM Cc1ccc2oc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC000826295628 1446080712 /nfs/dbraw/zinc/08/07/12/1446080712.db2.gz QDVNTJVFXGNHBF-UHFFFAOYSA-N -1 0 334.339 2.678 20 50 EFGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1ccsc1 ZINC000822795840 1446241337 /nfs/dbraw/zinc/24/13/37/1446241337.db2.gz IETPXHOTKXOHBW-LFYBBSHMSA-N -1 0 325.328 2.857 20 50 EFGDRM CC(C)Cc1ccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820109011 1446438814 /nfs/dbraw/zinc/43/88/14/1446438814.db2.gz ZIBMUTHDYICESL-UHFFFAOYSA-N -1 0 348.410 2.829 20 50 EFGDRM CC1(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCCCC1 ZINC000824816344 1446632407 /nfs/dbraw/zinc/63/24/07/1446632407.db2.gz COYJSSDOFQHUEF-UHFFFAOYSA-N -1 0 326.404 2.943 20 50 EFGDRM CSc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826231047 1446790235 /nfs/dbraw/zinc/79/02/35/1446790235.db2.gz UYDCHQVQHGVTJD-UHFFFAOYSA-N -1 0 341.400 2.737 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc21 ZINC000826447034 1446922374 /nfs/dbraw/zinc/92/23/74/1446922374.db2.gz KORCEAOFLNZAFQ-UHFFFAOYSA-N -1 0 330.351 2.777 20 50 EFGDRM CC(C)[C@H]1CCC[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735748445 1447178210 /nfs/dbraw/zinc/17/82/10/1447178210.db2.gz IILUGQUBVRMRHK-GXTWGEPZSA-N -1 0 343.435 2.708 20 50 EFGDRM Cc1cc2[nH]c(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2c(C)c1 ZINC000826263737 1447235045 /nfs/dbraw/zinc/23/50/45/1447235045.db2.gz OLFGVZXPZVLJPP-UHFFFAOYSA-N -1 0 347.382 2.722 20 50 EFGDRM CC(CSC(C)(C)C)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736048323 1449085918 /nfs/dbraw/zinc/08/59/18/1449085918.db2.gz VNXJITXEOFGSOH-UHFFFAOYSA-N -1 0 332.433 2.504 20 50 EFGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)c(Cl)c1 ZINC000826447932 1449125955 /nfs/dbraw/zinc/12/59/55/1449125955.db2.gz BHSPZYPMHWINFW-UHFFFAOYSA-N -1 0 347.741 2.808 20 50 EFGDRM Cc1cc(C)cc(CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826264501 1449154575 /nfs/dbraw/zinc/15/45/75/1449154575.db2.gz QQESTBOAZMBFIT-UHFFFAOYSA-N -1 0 336.399 2.559 20 50 EFGDRM C[C@@H]1C(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1c1ccccc1 ZINC000820642320 1449211343 /nfs/dbraw/zinc/21/13/43/1449211343.db2.gz HZWXBRBBZGIUNP-BLLLJJGKSA-N -1 0 346.394 2.776 20 50 EFGDRM CC(C)(CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824152612 1449529160 /nfs/dbraw/zinc/52/91/60/1449529160.db2.gz KQOHNHXEMASKNP-UHFFFAOYSA-N -1 0 336.399 2.678 20 50 EFGDRM CC1(C)CCC[C@@H](CC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824801768 1449898424 /nfs/dbraw/zinc/89/84/24/1449898424.db2.gz IRQPBSLGVXCWFF-LBPRGKRZSA-N -1 0 328.420 2.916 20 50 EFGDRM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000735447133 1449911379 /nfs/dbraw/zinc/91/13/79/1449911379.db2.gz JIWBCODEPIWSEG-UHFFFAOYSA-N -1 0 346.803 2.736 20 50 EFGDRM Cc1ccc(C=CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826285484 1449936490 /nfs/dbraw/zinc/93/64/90/1449936490.db2.gz AVNZURMLCSGTKO-NSCUHMNNSA-N -1 0 334.383 2.722 20 50 EFGDRM Cc1cc(C)c(NNC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(C)c1 ZINC000826263488 1450133497 /nfs/dbraw/zinc/13/34/97/1450133497.db2.gz DGKZYJMZYCDGRN-UHFFFAOYSA-N -1 0 336.399 2.857 20 50 EFGDRM CCc1cccc(C)c1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825718073 1450316584 /nfs/dbraw/zinc/31/65/84/1450316584.db2.gz UYYAOYXFKPTHLW-UHFFFAOYSA-N -1 0 337.387 2.886 20 50 EFGDRM COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000737077448 1450423435 /nfs/dbraw/zinc/42/34/35/1450423435.db2.gz UIMFEBVXGIOFEF-JYRVWZFOSA-N -1 0 348.322 2.848 20 50 EFGDRM N#C/C(=C/c1c(Br)cncc1Br)C(=O)[O-] ZINC000394031021 972667390 /nfs/dbraw/zinc/66/73/90/972667390.db2.gz CFIAYZXACZTIJH-KTAJNNJTSA-N -1 0 331.951 2.598 20 50 EFGDRM N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001611291363 970977864 /nfs/dbraw/zinc/97/78/64/970977864.db2.gz QUMZXBKZHFOTPD-GDNBJRDFSA-N -1 0 336.347 2.955 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNc2ccnc3cc(Cl)ccc32)nc1 ZINC001595220754 949240619 /nfs/dbraw/zinc/24/06/19/949240619.db2.gz AILNVSGAZIHFDX-UHFFFAOYSA-N -1 0 342.742 2.738 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC001595261453 949669747 /nfs/dbraw/zinc/66/97/47/949669747.db2.gz BAZSFNCIDUEVHQ-UHFFFAOYSA-N -1 0 347.321 2.623 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(Cl)c2cccnc12 ZINC001595261648 949672690 /nfs/dbraw/zinc/67/26/90/949672690.db2.gz FIQKFNTWFIGCJM-UHFFFAOYSA-N -1 0 342.742 2.738 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001595262245 949685053 /nfs/dbraw/zinc/68/50/53/949685053.db2.gz VTWQHGVYMITGEG-PSASIEDQSA-N -1 0 331.294 2.592 20 50 EFGDRM CCCN(NC(=O)C1(C(=O)[O-])CCCCC1)C(=O)OC(C)(C)C ZINC001589673232 949952057 /nfs/dbraw/zinc/95/20/57/949952057.db2.gz BKVPQCVSXXUOIJ-UHFFFAOYSA-N -1 0 328.409 2.700 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCCCC(=O)[O-])c1C ZINC001589694787 950155455 /nfs/dbraw/zinc/15/54/55/950155455.db2.gz NRTCAWCQOSEJPH-LFIBNONCSA-N -1 0 331.416 2.793 20 50 EFGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNc1cc(F)ccc1Br ZINC001602853416 971699633 /nfs/dbraw/zinc/69/96/33/971699633.db2.gz UGCNOFMTRWRMEB-SNVBAGLBSA-N -1 0 347.184 2.778 20 50 EFGDRM O=C([O-])CC1(C(=O)NNc2ccc(F)cc2Br)CCC1 ZINC001594976454 950918340 /nfs/dbraw/zinc/91/83/40/950918340.db2.gz QYULOGVMLXQABN-UHFFFAOYSA-N -1 0 345.168 2.676 20 50 EFGDRM CC(C)(C)C[C@@H](NC(=O)NN=c1[nH]cccc1C(=O)[O-])C(F)(F)F ZINC001602859675 971712537 /nfs/dbraw/zinc/71/25/37/971712537.db2.gz PMZCQZRYSWFZLA-SECBINFHSA-N -1 0 348.325 2.773 20 50 EFGDRM CCOC(=O)c1ccc(NNC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1C ZINC001591176614 951090146 /nfs/dbraw/zinc/09/01/46/951090146.db2.gz VCKWTKFRWJMVJB-OAHLLOKOSA-N -1 0 348.399 2.506 20 50 EFGDRM CCOc1ccc(/C=C(\C#N)C(=O)NCCCCCC(=O)[O-])cc1 ZINC001592425567 951327008 /nfs/dbraw/zinc/32/70/08/951327008.db2.gz BONJNKUHCOWRHB-NTCAYCPXSA-N -1 0 330.384 2.753 20 50 EFGDRM O=C([O-])CCCCC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001595032819 951382349 /nfs/dbraw/zinc/38/23/49/951382349.db2.gz YABBFCAAVZAGHE-UHFFFAOYSA-N -1 0 349.265 2.702 20 50 EFGDRM O=C([O-])COc1cccc(C(=O)NNc2ccc(Cl)cc2F)c1 ZINC001595122460 951978483 /nfs/dbraw/zinc/97/84/83/951978483.db2.gz IFANLGYKRFVAEF-UHFFFAOYSA-N -1 0 338.722 2.699 20 50 EFGDRM O=C([O-])CSCC(=O)NNc1ccccc1Oc1ccccc1 ZINC001595126876 952017292 /nfs/dbraw/zinc/01/72/92/952017292.db2.gz GJJDUGHQHBYZOE-UHFFFAOYSA-N -1 0 332.381 2.740 20 50 EFGDRM O=C([O-])Cc1ccccc1NC(=O)NNc1cccc(F)c1[N+](=O)[O-] ZINC001595136263 952055047 /nfs/dbraw/zinc/05/50/47/952055047.db2.gz GYLCSXKMOPFSIR-UHFFFAOYSA-N -1 0 348.290 2.510 20 50 EFGDRM CC(C)(C)c1ccc(NNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001602923165 971885103 /nfs/dbraw/zinc/88/51/03/971885103.db2.gz OYYCRJMOCXBFBP-IUODEOHRSA-N -1 0 334.416 2.697 20 50 EFGDRM CC(C)(C)c1ccc(NNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001602923169 971885513 /nfs/dbraw/zinc/88/55/13/971885513.db2.gz OYYCRJMOCXBFBP-WFASDCNBSA-N -1 0 334.416 2.697 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1ccc(C(F)(F)F)cc1 ZINC001594781377 953631228 /nfs/dbraw/zinc/63/12/28/953631228.db2.gz LHUDJLMTSAKIMY-UHFFFAOYSA-N -1 0 325.246 2.556 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(-c2ccccc2)ccn1 ZINC001594781422 953631319 /nfs/dbraw/zinc/63/13/19/953631319.db2.gz ODIDCIGSPRKNHZ-UHFFFAOYSA-N -1 0 334.335 2.599 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC001594781885 953638170 /nfs/dbraw/zinc/63/81/70/953638170.db2.gz WNWLXVRCLGYLDB-UHFFFAOYSA-N -1 0 330.731 2.671 20 50 EFGDRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NN=c2[nH]cccc2C(=O)[O-])o1 ZINC001589296802 953653533 /nfs/dbraw/zinc/65/35/33/953653533.db2.gz RZPRTVOHMJRKRU-MFKMUULPSA-N -1 0 329.356 2.572 20 50 EFGDRM O=C([O-])[C@@H](C(=O)NNc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC001594835674 954024923 /nfs/dbraw/zinc/02/49/23/954024923.db2.gz KHDUXIAAHPMTQJ-QGZVFWFLSA-N -1 0 340.379 2.820 20 50 EFGDRM CCC(CC)(CNC(=O)NNc1ccc(Cl)cc1F)C(=O)[O-] ZINC001589497721 955021934 /nfs/dbraw/zinc/02/19/34/955021934.db2.gz TWMSARXNPXFSMY-UHFFFAOYSA-N -1 0 331.775 2.996 20 50 EFGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](C)C(=O)[O-])c1C ZINC000737002916 955218045 /nfs/dbraw/zinc/21/80/45/955218045.db2.gz DANZTQNNOJHQDN-DZZSIBQASA-N -1 0 331.416 2.649 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000737050701 955218237 /nfs/dbraw/zinc/21/82/37/955218237.db2.gz MWMJDVSAJBVXEY-ZXMBATIKSA-N -1 0 343.427 2.745 20 50 EFGDRM CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000737195538 955219895 /nfs/dbraw/zinc/21/98/95/955219895.db2.gz RYSYNXUYRNQVFG-IZNAZMGOSA-N -1 0 344.411 2.855 20 50 EFGDRM CCOc1ccc(/C=C(/C#N)C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000737195937 955219917 /nfs/dbraw/zinc/21/99/17/955219917.db2.gz ZZSIKMVKTJNCLB-PTNGSMBKSA-N -1 0 342.395 2.752 20 50 EFGDRM O=C([O-])COc1ccc(C(=O)NN=c2[nH]ccc3sccc32)cc1 ZINC000739824146 955255372 /nfs/dbraw/zinc/25/53/72/955255372.db2.gz KEOLRLUHCNKALG-UHFFFAOYSA-N -1 0 343.364 2.517 20 50 EFGDRM O=C([O-])Cn1ccc(NC(=O)CCCC[C@H]2CCSS2)n1 ZINC000739915369 955256185 /nfs/dbraw/zinc/25/61/85/955256185.db2.gz LDKWIFDOOYWPDW-JTQLQIEISA-N -1 0 329.447 2.620 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)NCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000740077816 955257109 /nfs/dbraw/zinc/25/71/09/955257109.db2.gz BTCUCTAKTWDTQX-DHDCSXOGSA-N -1 0 329.400 2.718 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)NCCC(=O)[O-])c(C)n1CCC(C)C ZINC000740082629 955257229 /nfs/dbraw/zinc/25/72/29/955257229.db2.gz YPPGABMDNWJLKK-YBEGLDIGSA-N -1 0 331.416 2.649 20 50 EFGDRM CC(C)C[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)[O-] ZINC000760116390 955265098 /nfs/dbraw/zinc/26/50/98/955265098.db2.gz HTUNPYOJQMGLKN-AWEZNQCLSA-N -1 0 347.864 2.636 20 50 EFGDRM O=C([O-])CCCCCNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC000776633397 955331550 /nfs/dbraw/zinc/33/15/50/955331550.db2.gz OOTHPIGFKHSCCB-MISXGVKJSA-N -1 0 332.238 2.701 20 50 EFGDRM CC(C)C[C@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)[O-] ZINC000776644462 955332268 /nfs/dbraw/zinc/33/22/68/955332268.db2.gz WQGYRUDXGGLYBR-OZTPJHRESA-N -1 0 346.265 2.803 20 50 EFGDRM CCOc1ccc(/C=C(\C#N)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000818240131 955387477 /nfs/dbraw/zinc/38/74/77/955387477.db2.gz WSZQOTPRNXYYFA-VGVSSDJJSA-N -1 0 342.395 2.706 20 50 EFGDRM CCC(CC)(CNC(=O)NNc1ccc(SC)cc1)C(=O)[O-] ZINC000818627047 955416590 /nfs/dbraw/zinc/41/65/90/955416590.db2.gz DXTZEDSXWHUNBZ-UHFFFAOYSA-N -1 0 325.434 2.926 20 50 EFGDRM C[C@](C#N)(CC(=O)[O-])C(=O)NN=C(c1ccccc1)c1ccccc1 ZINC000819849482 955459328 /nfs/dbraw/zinc/45/93/28/955459328.db2.gz ZQCJRIUZKNYTLG-LJQANCHMSA-N -1 0 335.363 2.560 20 50 EFGDRM Cc1ccc(NC(=S)NNC(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC000821093086 955489226 /nfs/dbraw/zinc/48/92/26/955489226.db2.gz HOWHLHWTETZZHM-UHFFFAOYSA-N -1 0 343.408 2.633 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000821544489 955517779 /nfs/dbraw/zinc/51/77/79/955517779.db2.gz SKMUXRVKYDKERK-UHFFFAOYSA-N -1 0 335.703 2.703 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000836725136 955561652 /nfs/dbraw/zinc/56/16/52/955561652.db2.gz QJOXCDAANAJXOV-ZYHUDNBSSA-N -1 0 334.254 2.899 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000836725134 955561919 /nfs/dbraw/zinc/56/19/19/955561919.db2.gz QJOXCDAANAJXOV-PWSUYJOCSA-N -1 0 334.254 2.899 20 50 EFGDRM COC(=O)c1cc(NNC(=O)c2cc(C)cc(C(=O)[O-])c2)ccc1C ZINC001593881604 955714837 /nfs/dbraw/zinc/71/48/37/955714837.db2.gz IWPWCQNLDYWACC-UHFFFAOYSA-N -1 0 342.351 2.545 20 50 EFGDRM CC(C)[C@@H](CNC(=O)NNc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000848588932 955761949 /nfs/dbraw/zinc/76/19/49/955761949.db2.gz ADDJAPOOJBPJKE-SECBINFHSA-N -1 0 334.203 2.976 20 50 EFGDRM COC(=O)c1cccc(NNC(=O)Nc2cccc(C(=O)[O-])c2)c1C ZINC001593896702 955828626 /nfs/dbraw/zinc/82/86/26/955828626.db2.gz HDDZRPLZDJDOAD-UHFFFAOYSA-N -1 0 343.339 2.628 20 50 EFGDRM Cc1nn(CCCl)c(C)c1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000852957348 955885544 /nfs/dbraw/zinc/88/55/44/955885544.db2.gz RFNLVIJZMJQMKI-ZDUSSCGKSA-N -1 0 343.855 2.606 20 50 EFGDRM N#Cc1ccc(NNC(=O)C2(CC(=O)[O-])CCC2)cc1C(F)(F)F ZINC001594623825 956299986 /nfs/dbraw/zinc/29/99/86/956299986.db2.gz JRNFLTGYPGALFM-UHFFFAOYSA-N -1 0 341.289 2.665 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2ccccc2C(F)(F)F)CCSCC1 ZINC000901863848 956510424 /nfs/dbraw/zinc/51/04/24/956510424.db2.gz DQCMZCKYRSCFOU-UHFFFAOYSA-N -1 0 348.346 2.747 20 50 EFGDRM O=C([O-])c1ccc(C=CC(=O)NNc2cc(Cl)nc(Cl)c2)o1 ZINC001594673298 956635521 /nfs/dbraw/zinc/63/55/21/956635521.db2.gz WWOJUOBGOVVNBE-DUXPYHPUSA-N -1 0 342.138 2.836 20 50 EFGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1c(F)cc(F)cc1F ZINC001589206168 956666901 /nfs/dbraw/zinc/66/69/01/956666901.db2.gz WPUKUBGHLKKRPP-UHFFFAOYSA-N -1 0 330.306 2.684 20 50 EFGDRM CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000512619 956862525 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COc1cc(SC)ccc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001594067917 958157995 /nfs/dbraw/zinc/15/79/95/958157995.db2.gz YGLJQRFWVJASLI-UHFFFAOYSA-N -1 0 348.384 2.659 20 50 EFGDRM Cc1ccc(NNC(=O)c2cccc(OCC(=O)[O-])c2)cc1Cl ZINC001594373098 958558274 /nfs/dbraw/zinc/55/82/74/958558274.db2.gz BFNPNAJREZAAAA-UHFFFAOYSA-N -1 0 334.759 2.869 20 50 EFGDRM COc1cccc(C[C@@H](C)CC(=O)NN=c2[nH]cccc2C(=O)[O-])c1 ZINC001594126633 958642883 /nfs/dbraw/zinc/64/28/83/958642883.db2.gz RLYXQKLPJGZWGX-GFCCVEGCSA-N -1 0 343.383 2.500 20 50 EFGDRM Cc1ccc2occ(CC(=O)NN=c3[nH]cccc3C(=O)[O-])c2c1 ZINC001594386383 958675101 /nfs/dbraw/zinc/67/51/01/958675101.db2.gz VPKHZVJSQMGJNB-UHFFFAOYSA-N -1 0 325.324 2.520 20 50 EFGDRM Cc1c2cccc(F)c2oc1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001594256678 959654371 /nfs/dbraw/zinc/65/43/71/959654371.db2.gz JYIOXNVLGODNJZ-UHFFFAOYSA-N -1 0 329.287 2.730 20 50 EFGDRM Cc1c(C(=O)NN=c2[nH]cccc2C(=O)[O-])cnn1C1CCCCC1 ZINC001594256697 959655439 /nfs/dbraw/zinc/65/54/39/959655439.db2.gz 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962232126 /nfs/dbraw/zinc/23/21/26/962232126.db2.gz NQSMAZVWBVJCGB-LBPRGKRZSA-N -1 0 341.205 2.783 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2ccccc2Br)CCCCC1 ZINC001574633174 962307399 /nfs/dbraw/zinc/30/73/99/962307399.db2.gz LKFKKROHEDIYBJ-UHFFFAOYSA-N -1 0 341.205 2.927 20 50 EFGDRM CC(C)OCc1cccc(NC(=O)NN=c2[nH]cccc2C(=O)[O-])c1 ZINC001588935683 962500627 /nfs/dbraw/zinc/50/06/27/962500627.db2.gz WMRBCKJTSYLEHC-UHFFFAOYSA-N -1 0 344.371 2.853 20 50 EFGDRM CC(C)Oc1ccc(NC(=O)NN=c2[nH]cccc2C(=O)[O-])cc1 ZINC001588940257 962522041 /nfs/dbraw/zinc/52/20/41/962522041.db2.gz JMDRBCNMRAARBR-UHFFFAOYSA-N -1 0 330.344 2.716 20 50 EFGDRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NNc2ccc(Cl)cc2Cl)CO1 ZINC001574685092 962599388 /nfs/dbraw/zinc/59/93/88/962599388.db2.gz AADVSEBSNWQQJF-WCBMZHEXSA-N -1 0 347.198 2.706 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000296786706 962915285 /nfs/dbraw/zinc/91/52/85/962915285.db2.gz MLHDDTLXQDVMHU-LLVKDONJSA-N -1 0 328.206 2.811 20 50 EFGDRM CC(C)C[C@H](CNC(=O)NNc1cccc(F)c1F)CC(=O)[O-] ZINC000851653170 969277070 /nfs/dbraw/zinc/27/70/70/969277070.db2.gz ANMONYFGXYGKRS-JTQLQIEISA-N -1 0 329.347 2.728 20 50 EFGDRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NNc2c(Cl)cccc2Cl)CO1 ZINC000901800810 969477938 /nfs/dbraw/zinc/47/79/38/969477938.db2.gz OECAZZGLHUYPRU-DTWKUNHWSA-N -1 0 347.198 2.706 20 50 EFGDRM Cc1ccc(C(=O)NNc2ncccc2C(=O)[O-])cc1C(F)(F)F ZINC001594346659 970211795 /nfs/dbraw/zinc/21/17/95/970211795.db2.gz BFIAJGQSJXYBLA-UHFFFAOYSA-N -1 0 339.273 2.864 20 50 EFGDRM CCOc1ccc(NNC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC001610372955 970733328 /nfs/dbraw/zinc/73/33/28/970733328.db2.gz ZPQHAAWTJYYFGE-UHFFFAOYSA-N -1 0 329.356 2.861 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1cc2cccc(Cl)c2o1 ZINC001605820764 972549227 /nfs/dbraw/zinc/54/92/27/972549227.db2.gz CQVZGYGPSSQSSM-UHFFFAOYSA-N -1 0 331.715 2.936 20 50 EFGDRM Cc1cc(Br)ccc1NNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001605101830 972754103 /nfs/dbraw/zinc/75/41/03/972754103.db2.gz 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2.541 20 50 EFGDRM CCc1oc2ccccc2c1CC(=O)NNc1ncccc1C(=O)[O-] ZINC001603997587 974500850 /nfs/dbraw/zinc/50/08/50/974500850.db2.gz IVLDRTSIMDSIAR-UHFFFAOYSA-N -1 0 339.351 2.774 20 50 EFGDRM CC(C)c1cc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc(=O)[nH]1 ZINC001591930297 976418899 /nfs/dbraw/zinc/41/88/99/976418899.db2.gz DBPMXZVYVMVBHM-UHFFFAOYSA-N -1 0 333.319 2.505 20 50 EFGDRM CC(C)c1ccoc1C(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001592004871 976670639 /nfs/dbraw/zinc/67/06/39/976670639.db2.gz WVZORRFZJMCQSJ-UHFFFAOYSA-N -1 0 337.401 2.610 20 50 EFGDRM C[C@H](C1CC1)n1nccc1NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001592180438 977092888 /nfs/dbraw/zinc/09/28/88/977092888.db2.gz BWJPOUXYIHVTNZ-SECBINFHSA-N -1 0 347.350 2.840 20 50 EFGDRM C[C@@H](CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[C@H]1CCCO1 ZINC001592251179 977478090 /nfs/dbraw/zinc/47/80/90/977478090.db2.gz AAAFRMNYPVBIIL-TVQRCGJNSA-N -1 0 326.780 2.687 20 50 EFGDRM CC(C)(C(=O)NN[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000736223746 978310525 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COc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737905543 978456224 /nfs/dbraw/zinc/45/62/24/978456224.db2.gz KPXPRQJRMMUHLY-UHFFFAOYSA-N -1 0 332.268 2.913 20 50 EFGDRM O=C([O-])c1ccc(-c2ccc(C=NNC(=O)Cc3ccccn3)o2)cc1 ZINC000738481359 978545821 /nfs/dbraw/zinc/54/58/21/978545821.db2.gz JFIIBTAZNCRJCO-UHFFFAOYSA-N -1 0 349.346 2.733 20 50 EFGDRM Cc1ccc(C=C(C#N)C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000738582414 978569022 /nfs/dbraw/zinc/56/90/22/978569022.db2.gz JGWCRXKHUSKYCE-MLPAPPSSSA-N -1 0 339.303 2.619 20 50 EFGDRM O=C([O-])NNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000738658876 978582842 /nfs/dbraw/zinc/58/28/42/978582842.db2.gz NDJNEGVSYBMTMM-UHFFFAOYSA-N -1 0 336.351 2.511 20 50 EFGDRM O=C([O-])Nc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1 ZINC000738659714 978583289 /nfs/dbraw/zinc/58/32/89/978583289.db2.gz CGLJDGOMQITTBO-UHFFFAOYSA-N -1 0 325.246 2.951 20 50 EFGDRM Cc1ccc2oc(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc2n1 ZINC000738680916 978587012 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O=C([O-])c1cn(CC(=O)NNc2ncccc2Cl)c2ccccc12 ZINC000739359955 978632843 /nfs/dbraw/zinc/63/28/43/978632843.db2.gz ROAJDCIPXPFYNE-UHFFFAOYSA-N -1 0 344.758 2.531 20 50 EFGDRM O=C([O-])c1cc(OC(=O)c2c(F)cc(F)cc2F)ccc1[N+](=O)[O-] ZINC000740088030 978667168 /nfs/dbraw/zinc/66/71/68/978667168.db2.gz ORDMMLAZASZKOH-UHFFFAOYSA-N -1 0 341.197 2.930 20 50 EFGDRM O=C([O-])c1ccc(C=NNC(=O)c2cc3c(s2)CCCCC3)[nH]1 ZINC000749810391 978689419 /nfs/dbraw/zinc/68/94/19/978689419.db2.gz TYARRSUKCGCLPO-UHFFFAOYSA-N -1 0 331.397 2.807 20 50 EFGDRM COc1cc(Cl)ccc1C(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000794784206 978821495 /nfs/dbraw/zinc/82/14/95/978821495.db2.gz ADZHYPPATQSNQU-UHFFFAOYSA-N -1 0 332.743 2.811 20 50 EFGDRM Cc1cc(C(=O)NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c(C)o1 ZINC000794860032 978823972 /nfs/dbraw/zinc/82/39/72/978823972.db2.gz HIYJRSGSPVXOJC-LBPRGKRZSA-N -1 0 330.340 2.512 20 50 EFGDRM CCc1ccc(C(=O)NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000794878826 978824551 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EFGDRM CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)[C@@H](C)CCCCC(=O)[O-] ZINC000814767941 978883072 /nfs/dbraw/zinc/88/30/72/978883072.db2.gz AVWGOUDLVVUHKH-ZDUSSCGKSA-N -1 0 347.415 2.707 20 50 EFGDRM C[C@@H]1C(=NNC(=O)c2cccc3cccnc32)CC[C@@H]1CC(=O)[O-] ZINC000814824180 978889433 /nfs/dbraw/zinc/88/94/33/978889433.db2.gz LUCSAFSCDPZGIB-WCQYABFASA-N -1 0 325.368 2.841 20 50 EFGDRM C[C@@H]1C(=NNC(=O)Nc2ccc(N(C)C)cc2)CC[C@@H]1CC(=O)[O-] ZINC000814856083 978892962 /nfs/dbraw/zinc/89/29/62/978892962.db2.gz APFQJNSXRZNEQL-NWDGAFQWSA-N -1 0 332.404 2.751 20 50 EFGDRM C[C@H]1C(=NNC(=O)Nc2ccc(N(C)C)cc2)CC[C@H]1CC(=O)[O-] ZINC000814856082 978893427 /nfs/dbraw/zinc/89/34/27/978893427.db2.gz APFQJNSXRZNEQL-NEPJUHHUSA-N -1 0 332.404 2.751 20 50 EFGDRM CC[C@H](C)c1ncc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cn1 ZINC001595017938 979086332 /nfs/dbraw/zinc/08/63/32/979086332.db2.gz NHBHBTIHFVLYCU-VIFPVBQESA-N -1 0 347.350 2.976 20 50 EFGDRM CC[C@H](C)n1ncc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)c1C ZINC001595023630 979117323 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C[C@@H](Cc1ccc(F)cc1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001592853085 979641551 /nfs/dbraw/zinc/64/15/51/979641551.db2.gz CSNOWVKXQDPRLV-JTQLQIEISA-N -1 0 334.322 2.985 20 50 EFGDRM C[C@@H](Cc1ccc(F)cc1)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592854089 979649066 /nfs/dbraw/zinc/64/90/66/979649066.db2.gz LFLWIMMQUGDPLW-JTQLQIEISA-N -1 0 334.322 2.985 20 50 EFGDRM C[C@H](Cc1ccc(NC(=O)NNc2cccc(F)n2)cc1)C(=O)[O-] ZINC001592872058 979727308 /nfs/dbraw/zinc/72/73/08/979727308.db2.gz IJXVRIPJMMJWMF-SNVBAGLBSA-N -1 0 332.335 2.633 20 50 EFGDRM C[C@@H](Cc1ccsc1)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592906112 979842395 /nfs/dbraw/zinc/84/23/95/979842395.db2.gz KWQFDCIZHURQFB-VIFPVBQESA-N -1 0 337.376 2.843 20 50 EFGDRM CC[C@@H](OC1CCCC1)C(=O)NNc1ccc(C(=O)[O-])cc1OC ZINC001595356072 980708742 /nfs/dbraw/zinc/70/87/42/980708742.db2.gz YTYYMBDFXUXMKT-CQSZACIVSA-N -1 0 336.388 2.574 20 50 EFGDRM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595373538 980874099 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EFGDRM CCOc1cccc(CCC(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001597153467 986937285 /nfs/dbraw/zinc/93/72/85/986937285.db2.gz INCQIDIRKYLWJT-UHFFFAOYSA-N -1 0 346.358 2.999 20 50 EFGDRM CCOc1ccccc1CNC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001597173086 987011269 /nfs/dbraw/zinc/01/12/69/987011269.db2.gz XXHDHEKIRKACHK-UHFFFAOYSA-N -1 0 343.383 2.539 20 50 EFGDRM CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])n1C ZINC001597178994 987031742 /nfs/dbraw/zinc/03/17/42/987031742.db2.gz DBNMCSIPFWCDND-ZRDIBKRKSA-N -1 0 339.351 2.668 20 50 EFGDRM CCOc1ncc(C(=O)NNc2cccc(C(=O)[O-])c2C)cc1Cl ZINC001597196401 987085879 /nfs/dbraw/zinc/08/58/79/987085879.db2.gz JAUCTBSBUGIJLP-UHFFFAOYSA-N -1 0 349.774 2.897 20 50 EFGDRM CC[C@@H](C(=O)NN=C(C)c1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001594737184 987279683 /nfs/dbraw/zinc/27/96/83/987279683.db2.gz RIOHSXCYCBYYGT-MRXNPFEDSA-N -1 0 325.368 2.814 20 50 EFGDRM CC[C@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1c(C)noc1C ZINC001594737651 987282461 /nfs/dbraw/zinc/28/24/61/987282461.db2.gz 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ZINC001589693366 987765248 /nfs/dbraw/zinc/76/52/48/987765248.db2.gz IYVSLJRFOZBMKN-UHFFFAOYSA-N -1 0 335.385 2.798 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC001589698499 987780865 /nfs/dbraw/zinc/78/08/65/987780865.db2.gz CIVZGYJGPHRWLO-SNVBAGLBSA-N -1 0 347.161 2.513 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001589700188 987790151 /nfs/dbraw/zinc/79/01/51/987790151.db2.gz VYIRWZPKRLXAHX-JTQLQIEISA-N -1 0 329.194 2.715 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001589700197 987790196 /nfs/dbraw/zinc/79/01/96/987790196.db2.gz WKVKSFXSSIGHQU-BFVZDQMLSA-N -1 0 332.238 2.652 20 50 EFGDRM CCc1cccc(C)c1NNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001597580698 988382432 /nfs/dbraw/zinc/38/24/32/988382432.db2.gz AQAMRRWXOTUSNA-UHFFFAOYSA-N -1 0 328.368 2.778 20 50 EFGDRM CCc1cccc(C)c1NNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001597581258 988387578 /nfs/dbraw/zinc/38/75/78/988387578.db2.gz UCKJAOZGIGBNIS-UHFFFAOYSA-N -1 0 345.403 2.722 20 50 EFGDRM CSc1ccc(NC(=O)NN(C)c2ccccn2)cc1C(=O)[O-] ZINC001599819250 988482548 /nfs/dbraw/zinc/48/25/48/988482548.db2.gz MFECYAAZCMYDIN-UHFFFAOYSA-N -1 0 332.385 2.675 20 50 EFGDRM CSc1ccc(NC(=O)NNC(=O)CC(C)(C)C)cc1C(=O)[O-] ZINC001599819369 988485032 /nfs/dbraw/zinc/48/50/32/988485032.db2.gz PHCNAWFYVUMFIB-UHFFFAOYSA-N -1 0 339.417 2.696 20 50 EFGDRM CCc1cnc(CCNC(=O)NNc2cccc(C(=O)[O-])c2C)s1 ZINC001597627787 988584901 /nfs/dbraw/zinc/58/49/01/988584901.db2.gz SWLBPNKKSCRJDH-UHFFFAOYSA-N -1 0 348.428 2.581 20 50 EFGDRM CCc1cnccc1[C@H](C)NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001597633959 988609021 /nfs/dbraw/zinc/60/90/21/988609021.db2.gz JACBYCIRAQQNDF-JTQLQIEISA-N -1 0 346.362 2.869 20 50 EFGDRM C[C@@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1F ZINC001599840134 988812349 /nfs/dbraw/zinc/81/23/49/988812349.db2.gz FQAJSBSVTLOJRI-SNVBAGLBSA-N -1 0 349.337 2.979 20 50 EFGDRM CCn1c(C)cc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)c1C ZINC001597843811 989555022 /nfs/dbraw/zinc/55/50/22/989555022.db2.gz 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CC(C)(CC=NNC(=O)Cc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001590653677 990343225 /nfs/dbraw/zinc/34/32/25/990343225.db2.gz CZLGHCDWUPRJDC-UHFFFAOYSA-N -1 0 345.424 2.956 20 50 EFGDRM CC(C)(CNC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccncc1 ZINC001590726429 990517368 /nfs/dbraw/zinc/51/73/68/990517368.db2.gz IWQKKTVSXLWDHI-UHFFFAOYSA-N -1 0 346.362 2.523 20 50 EFGDRM CC(C)(O)C1CCC(C(=O)NNc2cccc(C(=O)[O-])c2F)CC1 ZINC001590888637 990810243 /nfs/dbraw/zinc/81/02/43/990810243.db2.gz JPEQGARPNLHMEU-UHFFFAOYSA-N -1 0 338.379 2.544 20 50 EFGDRM CC(C)(Oc1ccccc1)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001590907385 990873499 /nfs/dbraw/zinc/87/34/99/990873499.db2.gz WPWQZYPVKFWUJF-UHFFFAOYSA-N -1 0 332.331 2.825 20 50 EFGDRM COc1cccc([C@@H]2C[C@H]2C(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001599684900 990971414 /nfs/dbraw/zinc/97/14/14/990971414.db2.gz SIKRWVZMWYJYJY-LSDHHAIUSA-N -1 0 344.342 2.779 20 50 EFGDRM COc1cccc2c1[C@H](C(=O)NNc1cccc(C(=O)[O-])c1F)CC2 ZINC001599690122 991054661 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CC(C)CCC(=O)NNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001591213852 992067204 /nfs/dbraw/zinc/06/72/04/992067204.db2.gz GXCKMENUVUELKH-UHFFFAOYSA-N -1 0 345.758 2.766 20 50 EFGDRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)/C(C#N)=C/c1ccc(O)cc1 ZINC001591309654 992267867 /nfs/dbraw/zinc/26/78/67/992267867.db2.gz DLWLTTSAGPVFGP-OQLLNIDSSA-N -1 0 344.411 2.895 20 50 EFGDRM CC(C)CSCCNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001591416072 992495509 /nfs/dbraw/zinc/49/55/09/992495509.db2.gz OYSKKYSMQSGGLN-UHFFFAOYSA-N -1 0 329.397 2.539 20 50 EFGDRM COc1ccc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC001599593830 993723081 /nfs/dbraw/zinc/72/30/81/993723081.db2.gz CHDNYYDKDSXROK-UHFFFAOYSA-N -1 0 333.319 2.990 20 50 EFGDRM COc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)c(OC)c1 ZINC001599594067 993725815 /nfs/dbraw/zinc/72/58/15/993725815.db2.gz KMKWUZFPWQTTHQ-UHFFFAOYSA-N -1 0 349.318 2.690 20 50 EFGDRM COc1ccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1C#N ZINC001599594395 993730522 /nfs/dbraw/zinc/73/05/22/993730522.db2.gz 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ZINC001599637240 994306864 /nfs/dbraw/zinc/30/68/64/994306864.db2.gz CJOVVRSYZYNXIZ-UHFFFAOYSA-N -1 0 326.308 2.897 20 50 EFGDRM COc1cccc(C(C)(C)C(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001599648745 994463095 /nfs/dbraw/zinc/46/30/95/994463095.db2.gz CVIIAFKVADHJAT-UHFFFAOYSA-N -1 0 346.358 2.953 20 50 EFGDRM COc1cccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)c1C ZINC001599677279 994918077 /nfs/dbraw/zinc/91/80/77/994918077.db2.gz VULQEEUGOCAKSE-UHFFFAOYSA-N -1 0 333.319 2.990 20 50 EFGDRM C[C@@H](OCCc1ccccc1)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001593608607 995797089 /nfs/dbraw/zinc/79/70/89/995797089.db2.gz LVULVXOGNGGPGQ-GFCCVEGCSA-N -1 0 346.358 2.615 20 50 EFGDRM C[C@@H](Oc1ccccc1F)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001593651791 996013966 /nfs/dbraw/zinc/01/39/66/996013966.db2.gz RBTSYDAPSFMLHA-SECBINFHSA-N -1 0 336.294 2.574 20 50 EFGDRM C[C@]1(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)C[C@H]1Br ZINC001593749640 996389679 /nfs/dbraw/zinc/38/96/79/996389679.db2.gz QSBCTXUJLIFDCM-JMSVASOKSA-N -1 0 346.265 2.947 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CCC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000825028145 1423364209 /nfs/dbraw/zinc/36/42/09/1423364209.db2.gz FHUGCZBPJWABKF-UHFFFAOYSA-N -1 0 338.346 2.550 20 50 EFGDRM Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(Cl)c1C ZINC000826281628 1423538024 /nfs/dbraw/zinc/53/80/24/1423538024.db2.gz CHJWNUBTUUMAPI-UHFFFAOYSA-N -1 0 342.790 2.894 20 50 EFGDRM Cc1cc[nH]c2nc(C(C#N)=Cc3cccc(-c4nn[n-]n4)c3)nc1-2 ZINC000737446199 1423907972 /nfs/dbraw/zinc/90/79/72/1423907972.db2.gz UMGXRUZLEAEFIT-JYRVWZFOSA-N -1 0 328.339 2.511 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1(c2ccccc2)CCCC1 ZINC000826446556 1424147462 /nfs/dbraw/zinc/14/74/62/1424147462.db2.gz QFXNZPAEKORBGR-UHFFFAOYSA-N -1 0 348.410 2.822 20 50 EFGDRM Cc1cc[nH]c2nc(C(C#N)=Cc3ccc(F)c(-c4nn[n-]n4)c3)nc1-2 ZINC000826315001 1429751250 /nfs/dbraw/zinc/75/12/50/1429751250.db2.gz VPRGGVDIWIASKK-WDZFZDKYSA-N -1 0 346.329 2.650 20 50 EFGDRM C[C@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000824385202 1425377908 /nfs/dbraw/zinc/37/79/08/1425377908.db2.gz OBYJJSPMYNFKNG-LLVKDONJSA-N -1 0 340.362 2.643 20 50 EFGDRM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C)c1C ZINC000735447572 1425611798 /nfs/dbraw/zinc/61/17/98/1425611798.db2.gz LGMWYRDRUUWWIT-UHFFFAOYSA-N -1 0 334.383 2.638 20 50 EFGDRM CCCc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000825348453 1425624949 /nfs/dbraw/zinc/62/49/49/1425624949.db2.gz LIQDOEZFRWUHMN-UHFFFAOYSA-N -1 0 342.428 2.946 20 50 EFGDRM N#CC(=Cc1ccc(Cl)nc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378828 1425997678 /nfs/dbraw/zinc/99/76/78/1425997678.db2.gz BHMKGUWQFSDOMW-MLPAPPSSSA-N -1 0 336.742 2.705 20 50 EFGDRM CC(=NNC(=O)c1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000819772577 1426071885 /nfs/dbraw/zinc/07/18/85/1426071885.db2.gz GRARSIAIERCGLI-UHFFFAOYSA-N -1 0 346.350 2.767 20 50 EFGDRM CCCCCCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821055564 1426182340 /nfs/dbraw/zinc/18/23/40/1426182340.db2.gz DCUOHOZYSBCPLL-XFFZJAGNSA-N -1 0 330.417 2.532 20 50 EFGDRM CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825180874 1426734034 /nfs/dbraw/zinc/73/40/34/1426734034.db2.gz BBRKWUXVAZHRAZ-RYUDHWBXSA-N -1 0 326.404 2.799 20 50 EFGDRM Cc1cc[nH]c2nc(C(C#N)=Cc3ccc(-c4nn[n-]n4)cc3)nc1-2 ZINC000737441953 1426808421 /nfs/dbraw/zinc/80/84/21/1426808421.db2.gz CYMBJPSDTVLRMM-MDWZMJQESA-N -1 0 328.339 2.511 20 50 EFGDRM Cn1c2ccccc2nc1C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822596865 1426923433 /nfs/dbraw/zinc/92/34/33/1426923433.db2.gz XDUCIMPBXONXFU-JYRVWZFOSA-N -1 0 345.341 2.957 20 50 EFGDRM CN(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825880176 1427848015 /nfs/dbraw/zinc/84/80/15/1427848015.db2.gz XEFBMEXSSROTIC-MHWRWJLKSA-N -1 0 344.378 2.723 20 50 EFGDRM CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825182972 1427986844 /nfs/dbraw/zinc/98/68/44/1427986844.db2.gz MUAMLXLBAABZGM-NEPJUHHUSA-N -1 0 326.404 2.799 20 50 EFGDRM CC(C)Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824280635 1430231565 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CCC(Cc1cccs1)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736353290 1443937790 /nfs/dbraw/zinc/93/77/90/1443937790.db2.gz WJDMYTDTHQSGHG-UHFFFAOYSA-N -1 0 340.412 2.667 20 50 EFGDRM Cc1cc(C)c(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737246569 1446535380 /nfs/dbraw/zinc/53/53/80/1446535380.db2.gz LMTPSAFLMMRKMQ-UHFFFAOYSA-N -1 0 334.383 2.556 20 50 EFGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)Nc1ccccc1Cl ZINC000822796514 1446598999 /nfs/dbraw/zinc/59/89/99/1446598999.db2.gz SZQDXXRBRQTQKB-CLFYSBASSA-N -1 0 340.730 2.659 20 50 EFGDRM CC(=NNC(=O)Nc1ccccc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948749 1446602489 /nfs/dbraw/zinc/60/24/89/1446602489.db2.gz WDDFNQHIBNGGIP-UHFFFAOYSA-N -1 0 341.400 2.782 20 50 EFGDRM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1cccc(C#N)c1 ZINC000826379487 1446779215 /nfs/dbraw/zinc/77/92/15/1446779215.db2.gz SRLOBHDUUAQLBJ-NSIKDUERSA-N -1 0 344.309 2.667 20 50 EFGDRM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCCC1 ZINC000823953852 1446814661 /nfs/dbraw/zinc/81/46/61/1446814661.db2.gz 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ZINC000822345602 1449950877 /nfs/dbraw/zinc/95/08/77/1449950877.db2.gz LVLQFQDMRIWHNM-UHFFFAOYSA-N -1 0 346.394 2.646 20 50 EFGDRM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1F ZINC000826379324 1450019858 /nfs/dbraw/zinc/01/98/58/1450019858.db2.gz OTKJNTKTPRPYJI-FMIVXFBMSA-N -1 0 334.314 2.551 20 50 EFGDRM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1 ZINC000826379537 1450243288 /nfs/dbraw/zinc/24/32/88/1450243288.db2.gz UTVGLFXBGNTSLH-FMIVXFBMSA-N -1 0 334.314 2.551 20 50 EFGDRM N#C/C(=C\c1c(Br)cncc1Br)C(=O)[O-] ZINC000307304927 963213510 /nfs/dbraw/zinc/21/35/10/963213510.db2.gz CFIAYZXACZTIJH-ORCRQEGFSA-N -1 0 331.951 2.598 20 50 EFGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)C1 ZINC001601554021 971014751 /nfs/dbraw/zinc/01/47/51/971014751.db2.gz GGWDEFDXPIYNSI-JGVFFNPUSA-N -1 0 334.269 2.789 20 50 EFGDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1 ZINC001602782710 971530629 /nfs/dbraw/zinc/53/06/29/971530629.db2.gz ZAGCVACHDKHUNP-LBPRGKRZSA-N -1 0 349.696 2.806 20 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/nfs/dbraw/zinc/87/67/50/971876750.db2.gz YMDBLGNTSKLWBU-UHFFFAOYSA-N -1 0 329.356 2.714 20 50 EFGDRM CC(C)(C)c1ccc(OCC(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001602923277 971887073 /nfs/dbraw/zinc/88/70/73/971887073.db2.gz SVFHXAAMPUJUOD-UHFFFAOYSA-N -1 0 343.383 2.599 20 50 EFGDRM O=C([O-])c1cccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2F)c1 ZINC001594779707 953617730 /nfs/dbraw/zinc/61/77/30/953617730.db2.gz BZWIAAAFXFNDGR-UHFFFAOYSA-N -1 0 334.263 2.581 20 50 EFGDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NNc1cc(Cl)ccc1Br ZINC001594780105 953622536 /nfs/dbraw/zinc/62/25/36/953622536.db2.gz IVHYMUZPQOHQTH-JGVFFNPUSA-N -1 0 347.596 2.656 20 50 EFGDRM O=C([O-])c1ccc(NC(=O)NN=c2[nH]c3ccncc3s2)c(F)c1 ZINC001594781600 953634304 /nfs/dbraw/zinc/63/43/04/953634304.db2.gz FUCIJGFWBSFMQM-UHFFFAOYSA-N -1 0 347.331 2.677 20 50 EFGDRM CC(C)C(=O)c1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001602960639 971946243 /nfs/dbraw/zinc/94/62/43/971946243.db2.gz GPTPLGUDTVPYOM-UHFFFAOYSA-N -1 0 342.355 2.767 20 50 EFGDRM O=C([O-])c1ccc(NC(=O)NN=c2cnc3ccccc3[nH]2)c(F)c1 ZINC001594782230 953642818 /nfs/dbraw/zinc/64/28/18/953642818.db2.gz TZGCVYIEAMJSEC-UHFFFAOYSA-N -1 0 341.302 2.616 20 50 EFGDRM O=C([O-])c1cc(NC(=O)NNc2ccccc2C(F)(F)F)ccn1 ZINC001594782367 953646246 /nfs/dbraw/zinc/64/62/46/953646246.db2.gz ZYPKXBRIKCMSTF-UHFFFAOYSA-N -1 0 340.261 2.947 20 50 EFGDRM CCc1cccc2c(CC(=O)NNc3ncccc3C(=O)[O-])c[nH]c21 ZINC001593641778 953648897 /nfs/dbraw/zinc/64/88/97/953648897.db2.gz IGORYKIDBXTSMZ-UHFFFAOYSA-N -1 0 338.367 2.509 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2ccc(F)c(Cl)c2)CCSCC1 ZINC001594868049 954324201 /nfs/dbraw/zinc/32/42/01/954324201.db2.gz XFNRBKIPUVZXKQ-UHFFFAOYSA-N -1 0 332.784 2.520 20 50 EFGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1ccc(Br)cc1 ZINC001589476139 954959661 /nfs/dbraw/zinc/95/96/61/954959661.db2.gz ZRVNIZVWYYIWTI-UHFFFAOYSA-N -1 0 329.194 2.783 20 50 EFGDRM CCC(CC)(C(=O)[O-])C(=O)NNC(=S)Nc1cccc(Cl)c1 ZINC001589476087 954959774 /nfs/dbraw/zinc/95/97/74/954959774.db2.gz 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ZINC000739455346 955253846 /nfs/dbraw/zinc/25/38/46/955253846.db2.gz YWXYHJLVYXEMIB-UHFFFAOYSA-N -1 0 325.246 2.951 20 50 EFGDRM O=C([O-])CCCNC(=O)NN(Cc1ccccc1)c1ccccc1 ZINC000819443265 955445846 /nfs/dbraw/zinc/44/58/46/955445846.db2.gz YMRAIVGZGJODFY-UHFFFAOYSA-N -1 0 327.384 2.772 20 50 EFGDRM O=C([O-])CCNN=Cc1ccc(OCCBr)c(Cl)c1 ZINC000821524909 955511955 /nfs/dbraw/zinc/51/19/55/955511955.db2.gz SLKMVAPWORQADR-UHFFFAOYSA-N -1 0 349.612 2.512 20 50 EFGDRM C[C@@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)C[C@@H]1C(=O)[O-] ZINC000843333492 955637788 /nfs/dbraw/zinc/63/77/88/955637788.db2.gz SWNVLUVGBOQMIC-DXHVMGJMSA-N -1 0 344.249 2.509 20 50 EFGDRM Cn1nc(C(=O)[O-])cc1/C=C(/C#N)C(=O)c1c(F)cccc1Cl ZINC001594568848 955860460 /nfs/dbraw/zinc/86/04/60/955860460.db2.gz QAEBPZYWDPTIOY-YVMONPNESA-N -1 0 333.706 2.701 20 50 EFGDRM C[C@@H](Cn1ccc2ccccc21)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589084052 955886919 /nfs/dbraw/zinc/88/69/19/955886919.db2.gz WJICGJZAMCEKMC-LBPRGKRZSA-N -1 0 338.367 2.514 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000852959052 955894872 /nfs/dbraw/zinc/89/48/72/955894872.db2.gz DBALMLBKFQZSMH-NHYWBVRUSA-N -1 0 342.233 2.912 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000852959050 955895408 /nfs/dbraw/zinc/89/54/08/955895408.db2.gz DBALMLBKFQZSMH-ABAIWWIYSA-N -1 0 342.233 2.912 20 50 EFGDRM N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001594601298 956134358 /nfs/dbraw/zinc/13/43/58/956134358.db2.gz MJOAQDTYDXCQBM-IFCKCIONSA-N -1 0 348.358 2.904 20 50 EFGDRM O=C(NNc1c(Cl)cc(F)cc1Cl)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000874428856 956223583 /nfs/dbraw/zinc/22/35/83/956223583.db2.gz SCYXFYJRKAAVFR-KBTIHESUSA-N -1 0 336.150 2.622 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC001594678956 956686690 /nfs/dbraw/zinc/68/66/90/956686690.db2.gz PXMBLQMKVXWZKR-ZDUSSCGKSA-N -1 0 347.758 2.538 20 50 EFGDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NNc1cccc(F)c1Br ZINC001589218837 956748978 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EFGDRM O=C([O-])CSCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1 ZINC001606302116 973712890 /nfs/dbraw/zinc/71/28/90/973712890.db2.gz RWFAWIOBLHWOQJ-UHFFFAOYSA-N -1 0 342.726 2.620 20 50 EFGDRM COc1ccc(Cl)c(NC(=O)NN=c2[nH]cccc2C(=O)[O-])c1 ZINC001604799139 974033835 /nfs/dbraw/zinc/03/38/35/974033835.db2.gz DBAVWZHNZQOHMF-UHFFFAOYSA-N -1 0 336.735 2.590 20 50 EFGDRM O=C([O-])c1cccc(C(=O)NNC(=O)Cc2cccc3ccccc32)c1 ZINC001605715993 974148798 /nfs/dbraw/zinc/14/87/98/974148798.db2.gz NPUDICMOOUSLSI-UHFFFAOYSA-N -1 0 348.358 2.542 20 50 EFGDRM CN(C(=O)/C(C#N)=C/c1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC000490639223 974255082 /nfs/dbraw/zinc/25/50/82/974255082.db2.gz UPYAWTWGKODCTI-RVDMUPIBSA-N -1 0 342.395 2.848 20 50 EFGDRM CC(C)O[C@@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC001591686035 975490095 /nfs/dbraw/zinc/49/00/95/975490095.db2.gz GNSDNDVFUMIYQU-GOSISDBHSA-N -1 0 342.395 2.923 20 50 EFGDRM CC(C)O[C@@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)C1(C)C ZINC001591697246 975544621 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CC[C@@H](C(=O)NN=Cc1ccccc1OCC(=O)[O-])c1ccccc1 ZINC000731931282 978299754 /nfs/dbraw/zinc/29/97/54/978299754.db2.gz DLBVTHOYWAZXFK-MRXNPFEDSA-N -1 0 340.379 2.794 20 50 EFGDRM O=C([O-])c1ccc(C=NNC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000732927582 978300413 /nfs/dbraw/zinc/30/04/13/978300413.db2.gz OSACBWWHGYGUGI-UHFFFAOYSA-N -1 0 331.759 2.872 20 50 EFGDRM CC(=O)c1ccc(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000736191453 978308991 /nfs/dbraw/zinc/30/89/91/978308991.db2.gz CSGHKKUZZCHZDJ-UHFFFAOYSA-N -1 0 343.291 2.644 20 50 EFGDRM CC(C)(C)[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)[O-] ZINC000736257366 978314669 /nfs/dbraw/zinc/31/46/69/978314669.db2.gz UJHUHBOZMLRZDA-CYBMUJFWSA-N -1 0 347.864 2.636 20 50 EFGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NN=C(c1ccccc1)c1ccccc1 ZINC000736373323 978323530 /nfs/dbraw/zinc/32/35/30/978323530.db2.gz CGCUCGROGYJLJF-MRXNPFEDSA-N -1 0 339.395 2.847 20 50 EFGDRM CC[C@@H](C(=O)NNC(=O)c1ccccc1NC(=O)[O-])c1ccccc1 ZINC000736846388 978359943 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EFGDRM Cc1ccc(C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)c(O)c1 ZINC000738513927 978551313 /nfs/dbraw/zinc/55/13/13/978551313.db2.gz XOSQCAGYMFRHAI-UHFFFAOYSA-N -1 0 337.335 2.644 20 50 EFGDRM Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000738546791 978553721 /nfs/dbraw/zinc/55/37/21/978553721.db2.gz MSSXDCVXVDSTBU-UHFFFAOYSA-N -1 0 346.251 2.729 20 50 EFGDRM Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(Cl)n1 ZINC000738547245 978553883 /nfs/dbraw/zinc/55/38/83/978553883.db2.gz SONZIBLANXVDDA-UHFFFAOYSA-N -1 0 336.687 2.869 20 50 EFGDRM Cc1cccn2c(NC(=O)NNC(=O)[O-])c(-c3ccccc3)nc12 ZINC000738785183 978601780 /nfs/dbraw/zinc/60/17/80/978601780.db2.gz JZORVTFBIZAOBS-UHFFFAOYSA-N -1 0 325.328 2.614 20 50 EFGDRM O=C([O-])c1cc(OC(=O)CCc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000739261634 978626053 /nfs/dbraw/zinc/62/60/53/978626053.db2.gz WYZFXYZAILDTBK-UHFFFAOYSA-N -1 0 333.271 2.970 20 50 EFGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)Cc3ccc(F)cc3)c2c1 ZINC000739340894 978630112 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O=C([O-])NNC(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000740004016 978662544 /nfs/dbraw/zinc/66/25/44/978662544.db2.gz YEVSXDYVHZVCQB-UHFFFAOYSA-N -1 0 330.275 2.938 20 50 EFGDRM O=C([O-])Nc1cccc(C(=O)NNc2ncccc2C(F)(F)F)c1 ZINC000740033248 978663763 /nfs/dbraw/zinc/66/37/63/978663763.db2.gz IJDVGMSEOPIWOL-UHFFFAOYSA-N -1 0 340.261 2.947 20 50 EFGDRM O=C([O-])Nc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1 ZINC000740045011 978665098 /nfs/dbraw/zinc/66/50/98/978665098.db2.gz FQGRKDZBXDDTGG-UHFFFAOYSA-N -1 0 333.731 2.505 20 50 EFGDRM O=C([O-])c1cc(OC(=O)c2ccc3c(c2)COC3)ccc1[N+](=O)[O-] ZINC000740306594 978674377 /nfs/dbraw/zinc/67/43/77/978674377.db2.gz FMMCWXCISNVPIQ-UHFFFAOYSA-N -1 0 329.264 2.542 20 50 EFGDRM O=C([O-])c1cc(OC(=O)C2=Cc3ccccc3OC2)ccc1[N+](=O)[O-] ZINC000740307443 978675013 /nfs/dbraw/zinc/67/50/13/978675013.db2.gz NKQSEHGEXIHQJD-UHFFFAOYSA-N -1 0 341.275 2.674 20 50 EFGDRM C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000773101354 978744405 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COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc(C(C)C)cc1O ZINC001599376221 998491029 /nfs/dbraw/zinc/49/10/29/998491029.db2.gz JXQKIYNZOCNSJF-UHFFFAOYSA-N -1 0 344.367 2.979 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001599376525 998494965 /nfs/dbraw/zinc/49/49/65/998494965.db2.gz OLAXKYXCPPEYKG-UHFFFAOYSA-N -1 0 344.367 2.776 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)/C=C(\C)c1ccccc1 ZINC001599376746 998498510 /nfs/dbraw/zinc/49/85/10/998498510.db2.gz BXTPRWQRPODBHK-ZRDIBKRKSA-N -1 0 326.352 2.940 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)Cc1cccc(Cl)c1 ZINC001599377148 998505905 /nfs/dbraw/zinc/50/59/05/998505905.db2.gz MIMWMRPVWGNOMP-UHFFFAOYSA-N -1 0 334.759 2.733 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)Cc1cccc(C2CC2)c1 ZINC001599377222 998506824 /nfs/dbraw/zinc/50/68/24/998506824.db2.gz OQRKNLHCELKNIQ-UHFFFAOYSA-N -1 0 340.379 2.957 20 50 EFGDRM COc1ccc(Cl)cc1NCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599579997 998511926 /nfs/dbraw/zinc/51/19/26/998511926.db2.gz 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EFGDRM O=C([O-])c1cccc(C(=O)NNc2c(Cl)cccc2Cl)n1 ZINC000833328440 602051869 /nfs/dbraw/zinc/05/18/69/602051869.db2.gz MNQDPJCZUNZPTM-UHFFFAOYSA-N -1 0 326.139 2.844 20 50 EFGDRM CCCn1nc(C)c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1C ZINC000829591000 602054713 /nfs/dbraw/zinc/05/47/13/602054713.db2.gz LIIINRXPMNEFGX-UHFFFAOYSA-N -1 0 347.327 2.736 20 50 EFGDRM O=C([O-])Nc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)cc1 ZINC000832838315 604103888 /nfs/dbraw/zinc/10/38/88/604103888.db2.gz GXGLBJSDFHVOQZ-UHFFFAOYSA-N -1 0 349.350 2.990 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NN=c2[nH]ccc3sccc32)cc1F ZINC000833148208 604276404 /nfs/dbraw/zinc/27/64/04/604276404.db2.gz DXBDLBVZBKEQGX-UHFFFAOYSA-N -1 0 331.328 2.891 20 50 EFGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1cc(C(F)(F)F)ccc1F ZINC000833468981 604467618 /nfs/dbraw/zinc/46/76/18/604467618.db2.gz SNDUXNXCKSCLEK-SNVBAGLBSA-N -1 0 337.273 2.580 20 50 EFGDRM CC(C)CCC(=O)NNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000826841235 604531426 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C[C@H](SCc1ccccc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833543290 604805354 /nfs/dbraw/zinc/80/53/54/604805354.db2.gz QCQZMOKQXGAPJE-NSHDSACASA-N -1 0 331.397 2.545 20 50 EFGDRM CCc1[nH]c(C(=O)NNc2cccc([N+](=O)[O-])c2C)c(C)c1C(=O)[O-] ZINC000833667006 604939496 /nfs/dbraw/zinc/93/94/96/604939496.db2.gz CBLNZPMZXOAGSJ-UHFFFAOYSA-N -1 0 346.343 2.557 20 50 EFGDRM CCOc1ccc(/C=C(/C#N)C(=O)NCC(CC)(CC)C(=O)[O-])cc1 ZINC000833663473 605103720 /nfs/dbraw/zinc/10/37/20/605103720.db2.gz LCLRDUFYPXDZMR-PTNGSMBKSA-N -1 0 344.411 2.999 20 50 EFGDRM CC(C)(C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cccnc1 ZINC000833419472 605177168 /nfs/dbraw/zinc/17/71/68/605177168.db2.gz UXRVEXVYBMOHOM-UHFFFAOYSA-N -1 0 330.296 2.571 20 50 EFGDRM CC(C)(C)CC(=O)NN[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833422194 605181753 /nfs/dbraw/zinc/18/17/53/605181753.db2.gz CNRBRLVTMBJFTO-GFCCVEGCSA-N -1 0 343.221 2.632 20 50 EFGDRM C=C(C)[C@@H](CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)OCC ZINC000833367751 605244989 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CC(C)C(=O)Nc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833466613 605732177 /nfs/dbraw/zinc/73/21/77/605732177.db2.gz DOEFBQJONURMDN-UHFFFAOYSA-N -1 0 341.367 2.736 20 50 EFGDRM CC[C@@H](C)Oc1cc(C(=O)NNc2cccc(C(=O)[O-])c2)ccn1 ZINC000833641284 605733152 /nfs/dbraw/zinc/73/31/52/605733152.db2.gz TXYBCCWGZILTSZ-LLVKDONJSA-N -1 0 329.356 2.714 20 50 EFGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000833520459 605739131 /nfs/dbraw/zinc/73/91/31/605739131.db2.gz CJVSZNUFVNNIGX-SNVBAGLBSA-N -1 0 339.355 2.648 20 50 EFGDRM CC(C)Oc1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833507545 605740847 /nfs/dbraw/zinc/74/08/47/605740847.db2.gz UNVGRLCKANZIFQ-UHFFFAOYSA-N -1 0 343.383 2.998 20 50 EFGDRM CCC(CC)[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CCO1 ZINC000833642318 605749860 /nfs/dbraw/zinc/74/98/60/605749860.db2.gz KXNIOXVJMQFNQS-GDBMZVCRSA-N -1 0 349.431 2.995 20 50 EFGDRM Cc1cc(C)c(C(=O)NN=c2[n-]c(-c3ccccc3)no2)cc1C=O ZINC000793477463 1279691243 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O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1Cl ZINC000826448172 1423246690 /nfs/dbraw/zinc/24/66/90/1423246690.db2.gz KXGVVQCWFGWDEQ-UHFFFAOYSA-N -1 0 347.741 2.808 20 50 EFGDRM Cc1cccc(C2(C(=O)NNc3cccc(-c4nn[n-]n4)c3)CCC2)c1 ZINC000826296554 1424390056 /nfs/dbraw/zinc/39/00/56/1424390056.db2.gz AYNZICRKUFGAQL-UHFFFAOYSA-N -1 0 348.410 2.740 20 50 EFGDRM CCCC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736412680 1425073431 /nfs/dbraw/zinc/07/34/31/1425073431.db2.gz TVXNVXBQWARBOB-UHFFFAOYSA-N -1 0 334.383 2.801 20 50 EFGDRM CC1(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCCCCC1 ZINC000824817634 1425820157 /nfs/dbraw/zinc/82/01/57/1425820157.db2.gz PVMDIBPLVAAWTO-UHFFFAOYSA-N -1 0 326.404 2.943 20 50 EFGDRM CC[C@H](C(=O)NN=Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736314053 1425953429 /nfs/dbraw/zinc/95/34/29/1425953429.db2.gz QPNRRLGTILGBGQ-INIZCTEOSA-N -1 0 334.383 2.511 20 50 EFGDRM CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825180876 1426100068 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CC[C@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825082993 1426944067 /nfs/dbraw/zinc/94/40/67/1426944067.db2.gz WLVAVKPGMSKHFD-CYBMUJFWSA-N -1 0 336.399 2.894 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1cccc(F)c1 ZINC000826446270 1427226151 /nfs/dbraw/zinc/22/61/51/1427226151.db2.gz GAEAVINORFCSHT-UHFFFAOYSA-N -1 0 347.741 2.808 20 50 EFGDRM CCCCCCNC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825272137 1427374514 /nfs/dbraw/zinc/37/45/14/1427374514.db2.gz WCIHNUOGOSTIMN-UKTHLTGXSA-N -1 0 342.378 2.609 20 50 EFGDRM O=C(NNc1ccccc1F)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826449590 1427936562 /nfs/dbraw/zinc/93/65/62/1427936562.db2.gz ZYTRRJWDAJNRDW-UHFFFAOYSA-N -1 0 347.741 2.808 20 50 EFGDRM C[C@@H]1CCCC[C@H]1CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736262150 1428041211 /nfs/dbraw/zinc/04/12/11/1428041211.db2.gz MOUNVZOVWUFXBX-OLZOCXBDSA-N -1 0 343.435 2.709 20 50 EFGDRM Cc1cc(C)c(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000737247223 1428053415 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CC[C@@H](CC1CCCC1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825115147 1441975411 /nfs/dbraw/zinc/97/54/11/1441975411.db2.gz UUIHKSVIYWZJRL-ZDUSSCGKSA-N -1 0 328.420 2.916 20 50 EFGDRM CC1(C)CCC(=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824797502 1442041217 /nfs/dbraw/zinc/04/12/17/1442041217.db2.gz ZEOPMUZOFYWUBM-UHFFFAOYSA-N -1 0 326.404 2.836 20 50 EFGDRM Cc1oc2ccccc2c1C=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826342445 1442363615 /nfs/dbraw/zinc/36/36/15/1442363615.db2.gz LAGDWVOTSHNDSF-UHFFFAOYSA-N -1 0 346.350 2.685 20 50 EFGDRM COc1ccc(C=C(C#N)C(=O)CC(C)(C)C)cc1-c1nn[n-]n1 ZINC000737076817 1442422831 /nfs/dbraw/zinc/42/28/31/1442422831.db2.gz QFTAMTGUDZVVFE-GHXNOFRVSA-N -1 0 325.372 2.788 20 50 EFGDRM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822323992 1443138620 /nfs/dbraw/zinc/13/86/20/1443138620.db2.gz RTHYMYFKRBBEHF-DHZHZOJOSA-N -1 0 336.380 2.782 20 50 EFGDRM CCC=C(C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825219272 1443186681 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C[C@@H]1CCC[C@@H](CCNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736247336 1446358173 /nfs/dbraw/zinc/35/81/73/1446358173.db2.gz BQHKROGLLJBQPJ-OLZOCXBDSA-N -1 0 343.435 2.709 20 50 EFGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000826448585 1446499243 /nfs/dbraw/zinc/49/92/43/1446499243.db2.gz BHOLNGJRODXVOT-UHFFFAOYSA-N -1 0 349.181 2.930 20 50 EFGDRM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC000735446575 1446897599 /nfs/dbraw/zinc/89/75/99/1446897599.db2.gz AFBPUPLILLZORL-UHFFFAOYSA-N -1 0 346.350 2.767 20 50 EFGDRM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1C(C)(C)C1(C)C ZINC000823953491 1446989458 /nfs/dbraw/zinc/98/94/58/1446989458.db2.gz CMOLZCRUEPYSFS-UHFFFAOYSA-N -1 0 326.404 2.655 20 50 EFGDRM O=C(CCC1CCCCC1)NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC000737824357 1449031568 /nfs/dbraw/zinc/03/15/68/1449031568.db2.gz QNVJLUXSLWHNAH-UHFFFAOYSA-N -1 0 326.404 2.677 20 50 EFGDRM CC(CSC(C)(C)C)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736046266 1449422241 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CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)C=C2CCC(C)CC2)o1 ZINC000736237372 944773997 /nfs/dbraw/zinc/77/39/97/944773997.db2.gz QCGAFVINCLXAJY-UHFFFAOYSA-N -1 0 345.407 2.558 20 50 EFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)CCCC2CCCC2)o1 ZINC000820203684 945380434 /nfs/dbraw/zinc/38/04/34/945380434.db2.gz XTSGXLLILWMJFC-UHFFFAOYSA-N -1 0 347.423 2.782 20 50 EFGDRM O=C([O-])c1cccc(C(=O)NNc2cc(Cl)nc(Cl)c2)c1 ZINC001595241313 949460942 /nfs/dbraw/zinc/46/09/42/949460942.db2.gz OWUKLFXLBPNPAX-UHFFFAOYSA-N -1 0 326.139 2.844 20 50 EFGDRM O=C([O-])c1cccc(C(=O)NNc2cc(Cl)nc3ncccc23)c1 ZINC001595241349 949463099 /nfs/dbraw/zinc/46/30/99/949463099.db2.gz SAOCGZVYDUVMJC-UHFFFAOYSA-N -1 0 342.742 2.738 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001595261868 949674773 /nfs/dbraw/zinc/67/47/73/949674773.db2.gz KZNTZYCZFOCTFR-QWHCGFSZSA-N -1 0 331.759 2.680 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001595262339 949686897 /nfs/dbraw/zinc/68/68/97/949686897.db2.gz 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CC(C)(CCl)CS(=O)(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000899566267 969421643 /nfs/dbraw/zinc/42/16/43/969421643.db2.gz OMUKOSNBLULEEP-LBPRGKRZSA-N -1 0 345.848 2.660 20 50 EFGDRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NNc2c(Cl)cccc2Cl)CO1 ZINC000901800809 969478060 /nfs/dbraw/zinc/47/80/60/969478060.db2.gz OECAZZGLHUYPRU-BDAKNGLRSA-N -1 0 347.198 2.706 20 50 EFGDRM Cc1cc(NC(=O)NNc2nccnc2C(C)C)ccc1C(=O)[O-] ZINC001610473274 970751296 /nfs/dbraw/zinc/75/12/96/970751296.db2.gz AEAGWYVLQGNHGK-UHFFFAOYSA-N -1 0 329.360 2.755 20 50 EFGDRM O=C([O-])C1CCC(=NNC(=O)c2ccc(Br)cc2)CC1 ZINC001605814634 972536456 /nfs/dbraw/zinc/53/64/56/972536456.db2.gz LHRMYQWYVJVPSU-UHFFFAOYSA-N -1 0 339.189 2.810 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1csc(-c2ccccc2)n1 ZINC001605820730 972547851 /nfs/dbraw/zinc/54/78/51/972547851.db2.gz AIPPRPVHGXQASF-UHFFFAOYSA-N -1 0 340.364 2.660 20 50 EFGDRM O=C([O-])[C@H](C(=O)NNc1ccc(Cl)c(Br)c1)C1CC1 ZINC001605898229 972711167 /nfs/dbraw/zinc/71/11/67/972711167.db2.gz 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ZINC001603594316 973819900 /nfs/dbraw/zinc/81/99/00/973819900.db2.gz UDTXMGIJBPKLBL-MDNBWPLSSA-N -1 0 330.359 2.836 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CCc1cc(Cl)cs1 ZINC001605687108 974100764 /nfs/dbraw/zinc/10/07/64/974100764.db2.gz CCCMJEFKKXGXGE-UHFFFAOYSA-N -1 0 325.777 2.571 20 50 EFGDRM N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)NCc1ccc(F)cc1F ZINC000490662562 974255633 /nfs/dbraw/zinc/25/56/33/974255633.db2.gz BPVFUBHNHNBJEN-AUWJEWJLSA-N -1 0 342.301 2.886 20 50 EFGDRM CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC001603861067 974364756 /nfs/dbraw/zinc/36/47/56/974364756.db2.gz JXTNZZAHWVMLCF-MMVIWPHWSA-N -1 0 342.395 2.561 20 50 EFGDRM CCc1cc(Br)ccc1NNC(=O)C1(C(=O)[O-])CCC1 ZINC001603967486 974444037 /nfs/dbraw/zinc/44/40/37/974444037.db2.gz DTJRRCOTAZCBNN-UHFFFAOYSA-N -1 0 341.205 2.710 20 50 EFGDRM CC(C)Oc1c(NC(=O)NNc2ccccn2)cccc1C(=O)[O-] ZINC001591747377 975791079 /nfs/dbraw/zinc/79/10/79/975791079.db2.gz LZFKPVMQIHBRRX-UHFFFAOYSA-N -1 0 330.344 2.716 20 50 EFGDRM CC(C)Oc1c(NC(=O)NNc2ncccc2F)cccc1C(=O)[O-] ZINC001591747483 975792567 /nfs/dbraw/zinc/79/25/67/975792567.db2.gz PJEBZPVCGHMGQX-UHFFFAOYSA-N -1 0 348.334 2.855 20 50 EFGDRM CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001591923751 976402559 /nfs/dbraw/zinc/40/25/59/976402559.db2.gz SHHBKNCYQWTVQD-NXEZZACHSA-N -1 0 340.811 2.588 20 50 EFGDRM CC(C)n1ncc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1Cl ZINC001592153754 977028719 /nfs/dbraw/zinc/02/87/19/977028719.db2.gz UAYQIZWYEYKIKR-UHFFFAOYSA-N -1 0 340.742 2.712 20 50 EFGDRM C[C@H](CBr)COC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001592212434 977268426 /nfs/dbraw/zinc/26/84/26/977268426.db2.gz RNZBSWSXOZIRCV-SNVBAGLBSA-N -1 0 329.190 2.892 20 50 EFGDRM C[C@H](CC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C(=O)c1ccccc1 ZINC001592252177 977481364 /nfs/dbraw/zinc/48/13/64/977481364.db2.gz KVECJQGZAMOWAT-LLVKDONJSA-N -1 0 344.342 2.876 20 50 EFGDRM CC(=O)c1[nH]c(CC(=O)NNc2ccccc2Cl)c(C(=O)[O-])c1C ZINC000736177944 978308178 /nfs/dbraw/zinc/30/81/78/978308178.db2.gz PIEUEHXDVPYRCR-UHFFFAOYSA-N -1 0 349.774 2.563 20 50 EFGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NN=C(c1ccccc1)c1ccccc1 ZINC000736373321 978323742 /nfs/dbraw/zinc/32/37/42/978323742.db2.gz CGCUCGROGYJLJF-INIZCTEOSA-N -1 0 339.395 2.847 20 50 EFGDRM CC(C)c1nc(C#N)c(NNC(=O)c2ccccc2NC(=O)[O-])o1 ZINC000736522268 978339963 /nfs/dbraw/zinc/33/99/63/978339963.db2.gz BXNBJTKPJOUDSE-UHFFFAOYSA-N -1 0 329.316 2.516 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1C ZINC000737050696 978376530 /nfs/dbraw/zinc/37/65/30/978376530.db2.gz MWMJDVSAJBVXEY-ADFUCPMPSA-N -1 0 343.427 2.745 20 50 EFGDRM CCOC(=O)C(C#N)=CNc1ccc(Br)cc1C(=O)[O-] ZINC000737129716 978381577 /nfs/dbraw/zinc/38/15/77/978381577.db2.gz OLRJRCLRZSWZOT-FPLPWBNLSA-N -1 0 339.145 2.530 20 50 EFGDRM CCc1cccc(OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000737269910 978393051 /nfs/dbraw/zinc/39/30/51/978393051.db2.gz KWZZEJWNJZEIJA-UHFFFAOYSA-N -1 0 345.307 2.840 20 50 EFGDRM C[C@H](CCc1ccco1)NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592552130 978437018 /nfs/dbraw/zinc/43/70/18/978437018.db2.gz NGHSTMQBYVMIOY-SNVBAGLBSA-N -1 0 335.335 2.764 20 50 EFGDRM CO[C@@](C)(C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000737723336 978438971 /nfs/dbraw/zinc/43/89/71/978438971.db2.gz ISQUFOBXAJWDLZ-QGZVFWFLSA-N -1 0 345.307 2.760 20 50 EFGDRM COc1cc(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1C ZINC000737884430 978452795 /nfs/dbraw/zinc/45/27/95/978452795.db2.gz SVQUERHATOIQGW-UHFFFAOYSA-N -1 0 345.307 2.758 20 50 EFGDRM COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(F)c1 ZINC000737947601 978461883 /nfs/dbraw/zinc/46/18/83/978461883.db2.gz MFUMXHJIWKGBQK-UHFFFAOYSA-N -1 0 335.243 2.660 20 50 EFGDRM COc1ccc(F)cc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738018202 978467418 /nfs/dbraw/zinc/46/74/18/978467418.db2.gz VDXZGQFLLTXGGU-UHFFFAOYSA-N -1 0 335.243 2.660 20 50 EFGDRM Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000738351174 978522957 /nfs/dbraw/zinc/52/29/57/978522957.db2.gz GPFXBCHBMSYZRC-UHFFFAOYSA-N -1 0 346.251 2.729 20 50 EFGDRM Cc1ccc(C=C(C#N)C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000738582409 978568987 /nfs/dbraw/zinc/56/89/87/978568987.db2.gz JGWCRXKHUSKYCE-AWNIVKPZSA-N -1 0 339.303 2.619 20 50 EFGDRM Cc1ccccc1OCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738785936 978601697 /nfs/dbraw/zinc/60/16/97/978601697.db2.gz YUOYVJGEBBZKCX-UHFFFAOYSA-N -1 0 331.280 2.586 20 50 EFGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000738923122 978609327 /nfs/dbraw/zinc/60/93/27/978609327.db2.gz QHDUHECIVBXNER-UHFFFAOYSA-N -1 0 327.793 2.751 20 50 EFGDRM N#Cc1cccc(COc2ccc(NC(=O)NNC(=O)[O-])cc2F)c1 ZINC000739133116 978618858 /nfs/dbraw/zinc/61/88/58/978618858.db2.gz BHIQTPCOIRDELY-UHFFFAOYSA-N -1 0 344.302 2.580 20 50 EFGDRM O=C([O-])c1ccc(CCC(=O)NNC(=O)CCC2CCCCC2)cc1 ZINC000739256348 978624696 /nfs/dbraw/zinc/62/46/96/978624696.db2.gz VKZGZVJZBNDTSJ-UHFFFAOYSA-N -1 0 346.427 2.825 20 50 EFGDRM O=C([O-])c1occc1C=NNC(=O)c1cccc(Br)c1 ZINC000739454307 978639705 /nfs/dbraw/zinc/63/97/05/978639705.db2.gz QPHZLVRIMRYHTM-UHFFFAOYSA-N -1 0 337.129 2.504 20 50 EFGDRM O=C([O-])Nc1cccc(C(=O)NNC(=O)c2cccc(Cl)c2)c1 ZINC000740033775 978664091 /nfs/dbraw/zinc/66/40/91/978664091.db2.gz NGSITRDOSHQKCQ-UHFFFAOYSA-N -1 0 333.731 2.505 20 50 EFGDRM O=C([O-])c1cc(OC(=O)C(F)(F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000740088147 978667830 /nfs/dbraw/zinc/66/78/30/978667830.db2.gz RSNCDLXGORUTHO-UHFFFAOYSA-N -1 0 337.234 2.990 20 50 EFGDRM O=C([O-])C1(CNC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)CCCC1 ZINC000776643240 978765233 /nfs/dbraw/zinc/76/52/33/978765233.db2.gz LUHXJYZMEFGWNF-FIXISWKDSA-N -1 0 344.249 2.701 20 50 EFGDRM Cc1ccccc1CC(=O)NN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794917791 978829226 /nfs/dbraw/zinc/82/92/26/978829226.db2.gz IWKUOINLAIUMDX-CQSZACIVSA-N -1 0 340.379 2.540 20 50 EFGDRM Cc1ccc(C(=O)NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1F ZINC000794931075 978829826 /nfs/dbraw/zinc/82/98/26/978829826.db2.gz QAFDDJBEOPIOAG-GFCCVEGCSA-N -1 0 344.342 2.750 20 50 EFGDRM N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cn1 ZINC000812241853 978868785 /nfs/dbraw/zinc/86/87/85/978868785.db2.gz JRBIUUDRZMTWNM-KPKJPENVSA-N -1 0 325.280 2.517 20 50 EFGDRM C[C@@H](Oc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1)C(=O)[O-] ZINC000812245529 978868911 /nfs/dbraw/zinc/86/89/11/978868911.db2.gz TYGCUMQCWKYRSK-KAQJVSAMSA-N -1 0 339.307 2.906 20 50 EFGDRM CC(=NNC(=O)Cc1csc(C)n1)[C@H](C)CCCCC(=O)[O-] ZINC000814739946 978878789 /nfs/dbraw/zinc/87/87/89/978878789.db2.gz IJDPAXKBCJYCJW-SNVBAGLBSA-N -1 0 325.434 2.767 20 50 EFGDRM C[C@H](Oc1ccccc1F)C(=O)NN=C1CC[C@H](CC(=O)[O-])[C@H]1C ZINC000814746404 978879621 /nfs/dbraw/zinc/87/96/21/978879621.db2.gz GENNZSAOKAZDGW-GRYCIOLGSA-N -1 0 336.363 2.586 20 50 EFGDRM O=C([O-])c1cccc(C=NNC(=O)c2cc(-c3ccccc3)on2)c1 ZINC000814790945 978885774 /nfs/dbraw/zinc/88/57/74/978885774.db2.gz VRMICNBTNCLTMV-UHFFFAOYSA-N -1 0 335.319 2.804 20 50 EFGDRM COc1ccc(CCC(=O)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)cc1 ZINC000814814395 978888413 /nfs/dbraw/zinc/88/84/13/978888413.db2.gz JPWMJRWUHACYMW-TZMCWYRMSA-N -1 0 332.400 2.621 20 50 EFGDRM CC(=NNC(=O)[C@@H]1Cc2ccccc2O1)[C@@H](C)CCCCC(=O)[O-] ZINC000814826363 978889941 /nfs/dbraw/zinc/88/99/41/978889941.db2.gz URVKSOWXLGKSFA-LRDDRELGSA-N -1 0 332.400 2.763 20 50 EFGDRM C[C@H]1C(=NNC(=O)C(F)(F)Oc2ccccc2)CC[C@H]1CC(=O)[O-] ZINC000814855879 978893207 /nfs/dbraw/zinc/89/32/07/978893207.db2.gz VBCMOMHGMPIAAI-MNOVXSKESA-N -1 0 340.326 2.651 20 50 EFGDRM C[C@@H]1C(=NNC(=O)C(F)(F)Oc2ccccc2)CC[C@H]1CC(=O)[O-] ZINC000814855880 978893278 /nfs/dbraw/zinc/89/32/78/978893278.db2.gz VBCMOMHGMPIAAI-QWRGUYRKSA-N -1 0 340.326 2.651 20 50 EFGDRM CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C(=O)[O-])[nH]1 ZINC000830109973 979013777 /nfs/dbraw/zinc/01/37/77/979013777.db2.gz VAOSNEZCHANGLU-LUAWRHEFSA-N -1 0 325.324 2.657 20 50 EFGDRM Cc1c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc(C#N)n1C ZINC000832943377 979058443 /nfs/dbraw/zinc/05/84/43/979058443.db2.gz XEKJGHFXUBNREC-MKMNVTDBSA-N -1 0 348.362 2.758 20 50 EFGDRM C[C@H](CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)Oc1ccccc1 ZINC001592675696 979089901 /nfs/dbraw/zinc/08/99/01/979089901.db2.gz FCGJEGIXGVBTID-LLVKDONJSA-N -1 0 347.346 2.618 20 50 EFGDRM CC[C@@H](C)n1ncc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)c1C ZINC001595024097 979124039 /nfs/dbraw/zinc/12/40/39/979124039.db2.gz OMWVROQWYOIBHV-SNVBAGLBSA-N -1 0 346.387 2.626 20 50 EFGDRM C[C@@H](COCC(=O)NNc1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC001592770687 979383698 /nfs/dbraw/zinc/38/36/98/979383698.db2.gz VUIRCYNWYIXNQF-LBPRGKRZSA-N -1 0 346.358 2.787 20 50 EFGDRM C[C@@H](CSc1ccccc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001592829793 979550212 /nfs/dbraw/zinc/55/02/12/979550212.db2.gz BMULOKOLCMFIMC-NSHDSACASA-N -1 0 331.397 2.651 20 50 EFGDRM C[C@H](Cc1ccc(NC(=O)NNC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001592871621 979724911 /nfs/dbraw/zinc/72/49/11/979724911.db2.gz GDLSCNQDERGUMA-SNVBAGLBSA-N -1 0 337.376 2.511 20 50 EFGDRM C[C@@H](Cc1cccs1)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592902892 979830520 /nfs/dbraw/zinc/83/05/20/979830520.db2.gz QHTUJNXVOUKNTO-VIFPVBQESA-N -1 0 337.376 2.843 20 50 EFGDRM CC[C@@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)c1c(C)noc1C ZINC001595252408 980219248 /nfs/dbraw/zinc/21/92/48/980219248.db2.gz JWFBWILSYIAFNL-CQSZACIVSA-N -1 0 346.387 2.696 20 50 EFGDRM CC[C@@](NS(=O)(=O)CC(C)(C)CCl)(C(=O)[O-])c1ccccc1 ZINC001595307265 980464708 /nfs/dbraw/zinc/46/47/08/980464708.db2.gz XVODSVJXRXEJNO-HNNXBMFYSA-N -1 0 347.864 2.561 20 50 EFGDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)CCCCCl ZINC001595362774 980774380 /nfs/dbraw/zinc/77/43/80/980774380.db2.gz PDMHUQUENZRRBF-AWEZNQCLSA-N -1 0 347.864 2.873 20 50 EFGDRM CCC1(CC)[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C[C@@H]1OC ZINC001595372958 980867705 /nfs/dbraw/zinc/86/77/05/980867705.db2.gz AAMQKYJDKHAPTF-KGLIPLIRSA-N -1 0 335.404 2.605 20 50 EFGDRM CCC1(CC)[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@@H](C)[C@@H]1OC ZINC001595373871 980877854 /nfs/dbraw/zinc/87/78/54/980877854.db2.gz QBMLEVKJENTSEQ-DFBGVHRSSA-N -1 0 349.431 2.851 20 50 EFGDRM CCC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccn1 ZINC001595535355 981377571 /nfs/dbraw/zinc/37/75/71/981377571.db2.gz AVFOHXYIDSGILQ-LLVKDONJSA-N -1 0 331.347 2.946 20 50 EFGDRM CCCC[C@@H](CC)C(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001595631788 981844920 /nfs/dbraw/zinc/84/49/20/981844920.db2.gz DCRJDXOESFZVDS-LLVKDONJSA-N -1 0 327.450 2.796 20 50 EFGDRM CCCC[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCC)cc1)C(=O)[O-] ZINC001595634880 981895155 /nfs/dbraw/zinc/89/51/55/981895155.db2.gz YNNLMWWGOOKHHF-SYCZXOQXSA-N -1 0 330.384 2.752 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000910416131 981924259 /nfs/dbraw/zinc/92/42/59/981924259.db2.gz JFZMLAXTWOHKOZ-RBZYPMLTSA-N -1 0 332.238 2.509 20 50 EFGDRM CCCC[C@H](NNC(=O)c1sc(-c2ccccc2)nc1C)C(=O)[O-] ZINC001595640556 981962682 /nfs/dbraw/zinc/96/26/82/981962682.db2.gz JBVYGDPTIIPHPI-ZDUSSCGKSA-N -1 0 347.440 2.996 20 50 EFGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)C(=O)[O-])c1C ZINC001595802019 982616559 /nfs/dbraw/zinc/61/65/59/982616559.db2.gz DAZADAXJNUTEHF-FBKCMUNRSA-N -1 0 331.416 2.744 20 50 EFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)CC(=O)[O-])c1C ZINC001595801953 982617013 /nfs/dbraw/zinc/61/70/13/982617013.db2.gz CGIXAOZIEDSICT-MHWRWJLKSA-N -1 0 331.416 2.745 20 50 EFGDRM CC[C@H](C)Oc1cc(C(=O)NNc2cccc(F)c2C(=O)[O-])ccn1 ZINC001594996259 982899046 /nfs/dbraw/zinc/89/90/46/982899046.db2.gz HBAJYMYVDPAMHA-JTQLQIEISA-N -1 0 347.346 2.853 20 50 EFGDRM CCCN(NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001595894383 982928552 /nfs/dbraw/zinc/92/85/52/982928552.db2.gz AZMNQGKHWVJVMK-NEPJUHHUSA-N -1 0 328.409 2.556 20 50 EFGDRM CCCN(NC(=O)Cc1ccc(C(=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001595894599 982930914 /nfs/dbraw/zinc/93/09/14/982930914.db2.gz MZIQRQNKTSEXMV-UHFFFAOYSA-N -1 0 336.388 2.606 20 50 EFGDRM CCCNC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])c(Br)c1 ZINC001595915365 983013541 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ZINC001589304829 986068758 /nfs/dbraw/zinc/06/87/58/986068758.db2.gz GIHJDZVXVJDCLE-UHFFFAOYSA-N -1 0 332.743 2.998 20 50 EFGDRM CCOCCOc1ccccc1C(=O)NNc1ccccc1C(=O)[O-] ZINC001596939814 986072716 /nfs/dbraw/zinc/07/27/16/986072716.db2.gz UTHJMYLTTYJPRX-UHFFFAOYSA-N -1 0 344.367 2.557 20 50 EFGDRM Cc1c(C(=O)NNc2ccc(CC(=O)[O-])cc2)cnc2ccccc12 ZINC001599982444 986183388 /nfs/dbraw/zinc/18/33/88/986183388.db2.gz UNTIOPNUDRWJPS-UHFFFAOYSA-N -1 0 335.363 2.927 20 50 EFGDRM CCOc1cc(/C=C/C(=O)NNc2ccccc2C(=O)[O-])ccc1O ZINC001597034196 986466974 /nfs/dbraw/zinc/46/69/74/986466974.db2.gz YUYPCHJAORXIML-CSKARUKUSA-N -1 0 342.351 2.646 20 50 EFGDRM CCOc1ccc(CC(=O)NNc2cccc(F)c2C(=O)[O-])cc1 ZINC001597082522 986638042 /nfs/dbraw/zinc/63/80/42/986638042.db2.gz UOUHKNMDBLPTFN-UHFFFAOYSA-N -1 0 332.331 2.608 20 50 EFGDRM C[C@H]1Cc2cccc(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c2O1 ZINC001594621915 986663934 /nfs/dbraw/zinc/66/39/34/986663934.db2.gz YNNFYMSTBUYTTA-VIFPVBQESA-N -1 0 343.291 2.836 20 50 EFGDRM C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(F)c1)n1cnc2ccccc21 ZINC001589424113 986687699 /nfs/dbraw/zinc/68/76/99/986687699.db2.gz SJLQWSVNVQFMMW-JTQLQIEISA-N -1 0 342.330 2.578 20 50 EFGDRM CCOc1ccc(CNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001597100907 986710840 /nfs/dbraw/zinc/71/08/40/986710840.db2.gz KPQNKTLEJZZKDZ-UHFFFAOYSA-N -1 0 347.346 2.749 20 50 EFGDRM CCOc1ccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)nc1C ZINC001597120550 986813361 /nfs/dbraw/zinc/81/33/61/986813361.db2.gz WMEATPBBISSMJU-UHFFFAOYSA-N -1 0 348.334 2.775 20 50 EFGDRM CCOc1ccc(NNC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001597126076 986835251 /nfs/dbraw/zinc/83/52/51/986835251.db2.gz QWVPGJUVVYPYAZ-UHFFFAOYSA-N -1 0 335.404 2.747 20 50 EFGDRM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001594650790 986872035 /nfs/dbraw/zinc/87/20/35/986872035.db2.gz LCEISJAASYXXGF-MEBBXXQBSA-N -1 0 327.340 2.533 20 50 EFGDRM C[C@H]1Oc2ccccc2[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001594650785 986872804 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CCC(=O)Nc1cccc(C(=O)NNc2cccc(C(=O)[O-])c2C)c1 ZINC001594713245 987181048 /nfs/dbraw/zinc/18/10/48/987181048.db2.gz MLQVEDFCQVOVAP-UHFFFAOYSA-N -1 0 341.367 2.799 20 50 EFGDRM CC(C)(C(=O)NNc1ccc(C(=O)[O-])cc1F)C1CCC(O)CC1 ZINC001589574935 987350628 /nfs/dbraw/zinc/35/06/28/987350628.db2.gz OKMFECMCUNGLMM-UHFFFAOYSA-N -1 0 338.379 2.544 20 50 EFGDRM CCc1cc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc(Cl)n1 ZINC001597432001 987774248 /nfs/dbraw/zinc/77/42/48/987774248.db2.gz UZTDHBFOGLGURM-UHFFFAOYSA-N -1 0 337.738 2.892 20 50 EFGDRM CCc1cccc(OCC(=O)NNc2cccc(F)c2C(=O)[O-])c1 ZINC001597598467 988451723 /nfs/dbraw/zinc/45/17/23/988451723.db2.gz YGHKDSSUKFCKNP-UHFFFAOYSA-N -1 0 332.331 2.608 20 50 EFGDRM CSc1ccc(NNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001599820752 988508787 /nfs/dbraw/zinc/50/87/87/988508787.db2.gz LLTFMCUKPXEZTN-MHWZDGSBSA-N -1 0 335.429 2.534 20 50 EFGDRM CSc1ccc(NNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001599820753 988508884 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CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccoc2C(=O)[O-])cc1 ZINC001590492931 990092755 /nfs/dbraw/zinc/09/27/55/990092755.db2.gz GCZNZKFDVFSREH-UHFFFAOYSA-N -1 0 344.367 2.804 20 50 EFGDRM CC(C)(C)c1ccc(NNC(=O)CCc2ccc(C(=O)[O-])cc2)nn1 ZINC001590493850 990099022 /nfs/dbraw/zinc/09/90/22/990099022.db2.gz QECHCYCIKNVZOI-UHFFFAOYSA-N -1 0 342.399 2.548 20 50 EFGDRM CC(C)(C)c1ncc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cn1 ZINC001590555826 990192941 /nfs/dbraw/zinc/19/29/41/990192941.db2.gz AGZRHLADZNHJET-UHFFFAOYSA-N -1 0 347.350 2.760 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001590839656 990700493 /nfs/dbraw/zinc/70/04/93/990700493.db2.gz CDJYFNMFPSIVAA-MRVPVSSYSA-N -1 0 347.209 2.534 20 50 EFGDRM CC(C)(O)C1CCC(C(=O)NNc2cccc(F)c2C(=O)[O-])CC1 ZINC001590888693 990811169 /nfs/dbraw/zinc/81/11/69/990811169.db2.gz LIEHWTXDUJWDGT-UHFFFAOYSA-N -1 0 338.379 2.544 20 50 EFGDRM CC(C)[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1cccnc1 ZINC001590958760 991048754 /nfs/dbraw/zinc/04/87/54/991048754.db2.gz 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COc1ccc2c(c1)[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)CC2 ZINC001599625361 994139944 /nfs/dbraw/zinc/13/99/44/994139944.db2.gz NGCLSFASLIWVAR-ZDUSSCGKSA-N -1 0 344.342 2.706 20 50 EFGDRM COc1ccc2c(c1)[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)CC2 ZINC001599625644 994143961 /nfs/dbraw/zinc/14/39/61/994143961.db2.gz PFZKBXGGIMXNFC-HNNXBMFYSA-N -1 0 326.352 2.567 20 50 EFGDRM COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1C ZINC001599647877 994450983 /nfs/dbraw/zinc/45/09/83/994450983.db2.gz MVCYYZVBGWUXJH-UHFFFAOYSA-N -1 0 331.280 2.829 20 50 EFGDRM CNc1cc(Cl)ccc1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001598677730 994873735 /nfs/dbraw/zinc/87/37/35/994873735.db2.gz APIFKHBHMHHBOB-UHFFFAOYSA-N -1 0 337.738 2.976 20 50 EFGDRM C[C@H](Oc1ccc(F)cc1)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001593620266 995869135 /nfs/dbraw/zinc/86/91/35/995869135.db2.gz IXOZRSOSEXKJDA-VIFPVBQESA-N -1 0 336.294 2.574 20 50 EFGDRM C[C@@H](Oc1cccc(Cl)c1)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001593639443 995941235 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CC1(C)COc2ccc(C(=O)NNc3ccc(F)c(C(=O)[O-])c3)cc21 ZINC001593961134 997087743 /nfs/dbraw/zinc/08/77/43/997087743.db2.gz WIGVTAAMTBCHQU-UHFFFAOYSA-N -1 0 344.342 2.951 20 50 EFGDRM CC1(C)COc2c1cccc2C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001593961293 997090041 /nfs/dbraw/zinc/09/00/41/997090041.db2.gz TZNHEGRDEABNPV-UHFFFAOYSA-N -1 0 344.342 2.951 20 50 EFGDRM COCc1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2C)cc1 ZINC001599293912 997105170 /nfs/dbraw/zinc/10/51/70/997105170.db2.gz MXYKKILPVNXQBN-UHFFFAOYSA-N -1 0 343.383 2.666 20 50 EFGDRM COc1ccc(C(C)(C)C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001599504375 997185966 /nfs/dbraw/zinc/18/59/66/997185966.db2.gz ITTZDPWHLNNWIR-UHFFFAOYSA-N -1 0 346.358 2.953 20 50 EFGDRM COCc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001599298351 997187689 /nfs/dbraw/zinc/18/76/89/997187689.db2.gz SPNLRJFJKRGTKN-UHFFFAOYSA-N -1 0 333.319 2.819 20 50 EFGDRM C[C@]1(CCNC(=O)NNc2cccc(C(=O)[O-])c2)C[C@@]1(F)Cl ZINC001594008337 997434367 /nfs/dbraw/zinc/43/43/67/997434367.db2.gz 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EFGDRM COc1ccc(Cl)cc1CC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599578706 998489827 /nfs/dbraw/zinc/48/98/27/998489827.db2.gz FRKQMGWAPADDAO-UHFFFAOYSA-N -1 0 348.786 2.662 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001599376170 998489920 /nfs/dbraw/zinc/48/99/20/998489920.db2.gz MAZJKYOUKYDHEF-LBPRGKRZSA-N -1 0 328.368 2.949 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cncc2ccccc21 ZINC001599376139 998489967 /nfs/dbraw/zinc/48/99/67/998489967.db2.gz IJSZWIJTIFCSDS-UHFFFAOYSA-N -1 0 337.335 2.699 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001599376583 998496457 /nfs/dbraw/zinc/49/64/57/998496457.db2.gz VWLUVXDYIZAZRO-CQSZACIVSA-N -1 0 340.379 2.642 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc(Cl)ccc1O ZINC001599376787 998500376 /nfs/dbraw/zinc/50/03/76/998500376.db2.gz SWLPZTZJGMYDRN-UHFFFAOYSA-N -1 0 336.731 2.509 20 50 EFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)COc1ccc(C)cc1C ZINC001599376948 998501737 /nfs/dbraw/zinc/50/17/37/998501737.db2.gz 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O=C([O-])c1cc(OC(=O)Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000833118454 601676884 /nfs/dbraw/zinc/67/68/84/601676884.db2.gz MKCQBBHKNRARRT-UHFFFAOYSA-N -1 0 337.234 2.719 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)c1C ZINC000829580094 601706488 /nfs/dbraw/zinc/70/64/88/601706488.db2.gz PRZFIKPXGULPMM-MKZPSTEQSA-N -1 0 343.427 2.601 20 50 EFGDRM CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C)C(=O)[O-] ZINC000828906926 601753410 /nfs/dbraw/zinc/75/34/10/601753410.db2.gz MYDZOFILNGKUAO-WPBGYSLVSA-N -1 0 331.416 2.647 20 50 EFGDRM O=C([O-])[C@H](NNC(=O)C1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000833149360 601973966 /nfs/dbraw/zinc/97/39/66/601973966.db2.gz NXXFVJSSUXYBAL-GFCCVEGCSA-N -1 0 331.199 2.930 20 50 EFGDRM CC(C)Oc1cc(Br)cc(NC(=O)NNC(=O)[O-])c1 ZINC000824405372 603602957 /nfs/dbraw/zinc/60/29/57/603602957.db2.gz ZJWIIXPAJQPDMV-UHFFFAOYSA-N -1 0 332.154 2.540 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H]2CC(=O)[O-])c1C ZINC000829580067 604579388 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EFGDRM N#CC(=Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379126 1449334916 /nfs/dbraw/zinc/33/49/16/1449334916.db2.gz JOKBXYUTKLFTFA-LZYBPNLTSA-N -1 0 326.319 2.528 20 50 EFGDRM CC[C@H](C(=O)NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820842013 1449354348 /nfs/dbraw/zinc/35/43/48/1449354348.db2.gz ICALMHUGDFCIBT-ZDUSSCGKSA-N -1 0 340.412 2.572 20 50 EFGDRM Cc1c(Cl)cccc1NNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826236939 1449616063 /nfs/dbraw/zinc/61/60/63/1449616063.db2.gz IDAKNJJXSNNYKE-UHFFFAOYSA-N -1 0 334.792 2.647 20 50 EFGDRM CCC1(C)CCC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820949666 1449838910 /nfs/dbraw/zinc/83/89/10/1449838910.db2.gz DGRJFIHSVSQVDE-UHFFFAOYSA-N -1 0 326.404 2.943 20 50 EFGDRM O=C(NN(c1ccccc1)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826443777 1449924453 /nfs/dbraw/zinc/92/44/53/1449924453.db2.gz CQKGTSXKGRJOEK-UHFFFAOYSA-N -1 0 345.366 2.678 20 50 EFGDRM O=C(C[C@H]1CCCc2ccccc21)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826405141 1449949702 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O=C([O-])CCc1cccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2)c1 ZINC001595064537 951539197 /nfs/dbraw/zinc/53/91/97/951539197.db2.gz ZLBWNBIDUOJGOG-UHFFFAOYSA-N -1 0 344.327 2.761 20 50 EFGDRM O=C([O-])CSCC(=O)NNc1ccccc1Cc1ccccc1 ZINC001595126892 952017614 /nfs/dbraw/zinc/01/76/14/952017614.db2.gz KEJGTJBDJIVOTL-UHFFFAOYSA-N -1 0 330.409 2.538 20 50 EFGDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NNc1cc(Cl)ccc1Br ZINC001595181326 952251892 /nfs/dbraw/zinc/25/18/92/952251892.db2.gz IVHYMUZPQOHQTH-HTQZYQBOSA-N -1 0 347.596 2.656 20 50 EFGDRM N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)NCc1ccc(F)c(F)c1 ZINC000490693562 953531062 /nfs/dbraw/zinc/53/10/62/953531062.db2.gz JGGXAUDMONVYNM-VGOFMYFVSA-N -1 0 342.301 2.886 20 50 EFGDRM O=C([O-])c1ccccc1CNC(=O)NNc1c(F)cc(F)cc1F ZINC001594772192 953572558 /nfs/dbraw/zinc/57/25/58/953572558.db2.gz XTFCGLDYJXKPAK-UHFFFAOYSA-N -1 0 339.273 2.628 20 50 EFGDRM O=C([O-])c1cc(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)[nH]n1 ZINC001594779666 953617859 /nfs/dbraw/zinc/61/78/59/953617859.db2.gz 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954319847 /nfs/dbraw/zinc/31/98/47/954319847.db2.gz IAKBSRMTLNSJAS-UHFFFAOYSA-N -1 0 347.596 2.801 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2nccnc2C2CCC2)CCCCCC1 ZINC001594867694 954321453 /nfs/dbraw/zinc/32/14/53/954321453.db2.gz QSASGDJREOCKJB-UHFFFAOYSA-N -1 0 332.404 2.612 20 50 EFGDRM CC[C@@H](C)c1ccccc1OCC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589464642 954890324 /nfs/dbraw/zinc/89/03/24/954890324.db2.gz HVXYRLOUPPKRAM-GFCCVEGCSA-N -1 0 343.383 2.815 20 50 EFGDRM CCC(CC)(CNC(=O)NNc1c(F)cc(F)cc1F)C(=O)[O-] ZINC001589497714 955020362 /nfs/dbraw/zinc/02/03/62/955020362.db2.gz SBUYUKCCWQXLAQ-UHFFFAOYSA-N -1 0 333.310 2.621 20 50 EFGDRM O=C([O-])/C=C/c1cc(C(=O)NNc2cc(F)cc(F)c2F)co1 ZINC001594969349 955090389 /nfs/dbraw/zinc/09/03/89/955090389.db2.gz WPUHFHWYBSBAIP-OWOJBTEDSA-N -1 0 326.230 2.552 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C[C@H](C)C(=O)[O-])c1C ZINC000737050080 955218830 /nfs/dbraw/zinc/21/88/30/955218830.db2.gz IEOLGHKQEFFZTP-RGZVIEDOSA-N -1 0 331.416 2.601 20 50 EFGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738380861 955239575 /nfs/dbraw/zinc/23/95/75/955239575.db2.gz ARODFROLHIMDSP-UHFFFAOYSA-N -1 0 335.791 2.618 20 50 EFGDRM O=C([O-])c1ccc(CNC(=O)NNc2cc(F)c(F)cc2F)cc1 ZINC000738499166 955243312 /nfs/dbraw/zinc/24/33/12/955243312.db2.gz MQPKPILJQGUFNF-UHFFFAOYSA-N -1 0 339.273 2.628 20 50 EFGDRM O=C([O-])CCCCCNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000776633396 955330659 /nfs/dbraw/zinc/33/06/59/955330659.db2.gz OOTHPIGFKHSCCB-COPLHBTASA-N -1 0 332.238 2.701 20 50 EFGDRM CC(C)C[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)[O-] ZINC000776644461 955332393 /nfs/dbraw/zinc/33/23/93/955332393.db2.gz WQGYRUDXGGLYBR-JUFZMCDQSA-N -1 0 346.265 2.803 20 50 EFGDRM CCOc1ccc(C(=O)NN=Cc2cccc(C(=O)[O-])c2)cc1OC ZINC000814754446 955360202 /nfs/dbraw/zinc/36/02/02/955360202.db2.gz IPQFDECKJOLXCS-UHFFFAOYSA-N -1 0 342.351 2.556 20 50 EFGDRM O=C([O-])C1CCC(=NNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000814877670 955365036 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338.201 2.589 20 50 EFGDRM O=C([O-])c1ccc(/C=C\C(=O)NNc2cc(F)cc(F)c2F)o1 ZINC001594672989 956633084 /nfs/dbraw/zinc/63/30/84/956633084.db2.gz TYAIDCYZGSSJNJ-RQOWECAXSA-N -1 0 326.230 2.552 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CC1CC(c2ccccc2)C1 ZINC001594678157 956675581 /nfs/dbraw/zinc/67/55/81/956675581.db2.gz FTIOHEBUBODSFY-UHFFFAOYSA-N -1 0 325.368 2.807 20 50 EFGDRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CCCC[C@@H]2CCSS2)C1 ZINC000902317755 956700818 /nfs/dbraw/zinc/70/08/18/956700818.db2.gz ZYKCJYUDFNSQHZ-IUODEOHRSA-N -1 0 347.502 2.650 20 50 EFGDRM CCOc1cc(/C=C(\C#N)C(=O)[O-])cc(Br)c1OC ZINC000007155506 956879619 /nfs/dbraw/zinc/87/96/19/956879619.db2.gz UYMUSVXRROBRNS-RUDMXATFSA-N -1 0 326.146 2.848 20 50 EFGDRM C[C@@]1(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@@H]1Br ZINC001589247201 956939063 /nfs/dbraw/zinc/93/90/63/956939063.db2.gz QUGAWYLINWNHBA-GWCFXTLKSA-N -1 0 345.168 2.819 20 50 EFGDRM CN(C(=O)/C(C#N)=C\c1ccccc1OCC(=O)[O-])C1CCCCC1 ZINC000071900471 957733161 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CN(C(=O)/C(C#N)=C/c1ccccc1OCC(=O)[O-])C1CCCCC1 ZINC000096298447 958335254 /nfs/dbraw/zinc/33/52/54/958335254.db2.gz SYEIUHQURITCTI-RVDMUPIBSA-N -1 0 342.395 2.848 20 50 EFGDRM Cc1cccc(Br)c1NNC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001594386519 958678171 /nfs/dbraw/zinc/67/81/71/958678171.db2.gz MPIROUXJXJNESB-JTQLQIEISA-N -1 0 343.221 2.948 20 50 EFGDRM Cc1cccc2sc(=NNC(=O)Nc3cc(C(=O)[O-])ccn3)[nH]c21 ZINC001594414195 958987131 /nfs/dbraw/zinc/98/71/31/958987131.db2.gz WHBIRLTVQYZCRR-UHFFFAOYSA-N -1 0 343.368 2.847 20 50 EFGDRM CSc1ccc(C=CC(=O)NNc2ncccc2C(=O)[O-])s1 ZINC001594194193 959186471 /nfs/dbraw/zinc/18/64/71/959186471.db2.gz FJIVSRUEFUKLAE-XQRVVYSFSA-N -1 0 335.410 2.720 20 50 EFGDRM C[C@](CNC(=O)NNc1c(F)cccc1F)(C(=O)[O-])c1ccccc1 ZINC001573599423 959419834 /nfs/dbraw/zinc/41/98/34/959419834.db2.gz DMVWOCHZXCRHEQ-QGZVFWFLSA-N -1 0 349.337 2.633 20 50 EFGDRM COc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000222387689 959812450 /nfs/dbraw/zinc/81/24/50/959812450.db2.gz 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CCCCCNC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000285458952 962885440 /nfs/dbraw/zinc/88/54/40/962885440.db2.gz QONQXQCUBHLMQI-WZMONFQBSA-N -1 0 330.384 2.752 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000296846853 962918364 /nfs/dbraw/zinc/91/83/64/962918364.db2.gz SPADDZDCYXMYGK-MNOVXSKESA-N -1 0 328.206 2.738 20 50 EFGDRM CC(C)C[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(=O)[O-] ZINC000823619586 969204478 /nfs/dbraw/zinc/20/44/78/969204478.db2.gz KLPPGPHLOUTYDL-BBGACYKPSA-N -1 0 332.238 2.556 20 50 EFGDRM Cc1nn(CCCl)c(C)c1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000823825871 969205075 /nfs/dbraw/zinc/20/50/75/969205075.db2.gz XMBYTYSWEQPVFF-GFCCVEGCSA-N -1 0 343.855 2.748 20 50 EFGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000846706573 969254729 /nfs/dbraw/zinc/25/47/29/969254729.db2.gz MPMLFZDSCWVLOX-UHFFFAOYSA-N -1 0 329.740 2.582 20 50 EFGDRM CC(C)(CCl)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000899566266 969421174 /nfs/dbraw/zinc/42/11/74/969421174.db2.gz OMUKOSNBLULEEP-GFCCVEGCSA-N -1 0 345.848 2.660 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2ccc(OC(F)F)cc2)CCCCC1 ZINC001605935337 972872398 /nfs/dbraw/zinc/87/23/98/972872398.db2.gz GQQXDIAFEZEFDP-UHFFFAOYSA-N -1 0 328.315 2.766 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2ccc(OCc3ccccc3)cc2)CC1 ZINC001605935483 972874466 /nfs/dbraw/zinc/87/44/66/972874466.db2.gz KTRXHVYPYHTUTN-UHFFFAOYSA-N -1 0 326.352 2.574 20 50 EFGDRM O=C([O-])C1(C(=O)NN=c2[nH]c3cccnc3s2)CCCCCC1 ZINC001605935777 972876972 /nfs/dbraw/zinc/87/69/72/972876972.db2.gz SRIDTFVGGIHWRD-UHFFFAOYSA-N -1 0 334.401 2.560 20 50 EFGDRM Cc1cc(NC(=O)NNC(=O)c2ccccc2Cl)ccc1C(=O)[O-] ZINC001605202424 972942281 /nfs/dbraw/zinc/94/22/81/972942281.db2.gz UVNZCKHOSCNFRA-UHFFFAOYSA-N -1 0 347.758 2.813 20 50 EFGDRM Cc1ccc2c(CC(=O)NN=c3[nH]cccc3C(=O)[O-])coc2c1 ZINC001605310015 973132062 /nfs/dbraw/zinc/13/20/62/973132062.db2.gz DDLCMKNMFCOZNB-UHFFFAOYSA-N -1 0 325.324 2.520 20 50 EFGDRM O=C([O-])CC[C@H]1C[C@H](C(=O)NNc2cccc(Cl)c2Cl)CO1 ZINC001606112928 973335678 /nfs/dbraw/zinc/33/56/78/973335678.db2.gz ZEFQLGQTPUDDGO-IUCAKERBSA-N -1 0 347.198 2.706 20 50 EFGDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1 ZINC001603594317 973820134 /nfs/dbraw/zinc/82/01/34/973820134.db2.gz UDTXMGIJBPKLBL-PMXLPMHFSA-N -1 0 330.359 2.836 20 50 EFGDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NNc1ccc(OCc2ccccc2)cc1 ZINC001606407823 973859202 /nfs/dbraw/zinc/85/92/02/973859202.db2.gz WZNZTVQQYUPPMV-IAGOWNOFSA-N -1 0 340.379 2.820 20 50 EFGDRM COc1cc(Cl)ccc1NC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001604719797 973920925 /nfs/dbraw/zinc/92/09/25/973920925.db2.gz OKECWBDQWCEXTF-UHFFFAOYSA-N -1 0 336.735 2.590 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNc2nc3ccccc3[nH]c2=S)cc1 ZINC001606478906 973959657 /nfs/dbraw/zinc/95/96/57/973959657.db2.gz SFFRRFFCJZXILK-UHFFFAOYSA-N -1 0 340.364 2.747 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)C1(c2ccnc3ccccc32)CC1 ZINC001606529038 974043314 /nfs/dbraw/zinc/04/33/14/974043314.db2.gz WPKNSWIQGIEHQR-UHFFFAOYSA-N -1 0 348.362 2.503 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CSc1ccccc1Cl ZINC001605710828 974143860 /nfs/dbraw/zinc/14/38/60/974143860.db2.gz DWYBEZIYYPETIH-UHFFFAOYSA-N -1 0 337.788 2.669 20 50 EFGDRM CCOc1ccc(/C=C(/C#N)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC001603861076 974364556 /nfs/dbraw/zinc/36/45/56/974364556.db2.gz JXTNZZAHWVMLCF-QXBIRMTDSA-N -1 0 342.395 2.561 20 50 EFGDRM CC(C)Oc1c(NC(=O)NNc2ccc(F)cn2)cccc1C(=O)[O-] ZINC001591746249 975780758 /nfs/dbraw/zinc/78/07/58/975780758.db2.gz CDTDHUVZXMBACC-UHFFFAOYSA-N -1 0 348.334 2.855 20 50 EFGDRM CC(C)Oc1c(NC(=O)NNC(=O)C2CCCC2)cccc1C(=O)[O-] ZINC001591747342 975790580 /nfs/dbraw/zinc/79/05/80/975790580.db2.gz LJPPLJFCORKERR-UHFFFAOYSA-N -1 0 349.387 2.515 20 50 EFGDRM CC(C)Oc1ccccc1CC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001591801691 976020646 /nfs/dbraw/zinc/02/06/46/976020646.db2.gz WBFJDCVZFYETRW-UHFFFAOYSA-N -1 0 346.358 2.997 20 50 EFGDRM CC(C)c1ccc(NC(=O)C(=O)NNc2ccccc2)c(C(=O)[O-])c1 ZINC001591962803 976551804 /nfs/dbraw/zinc/55/18/04/976551804.db2.gz RILUIAAYXWAVHZ-UHFFFAOYSA-N -1 0 341.367 2.590 20 50 EFGDRM C[C@@H](CC=NNC(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC001592470919 978227069 /nfs/dbraw/zinc/22/70/69/978227069.db2.gz NKZWRKOBGBYKEA-ZETCQYMHSA-N -1 0 347.596 2.929 20 50 EFGDRM CC(=NNC(=O)CCc1ccccc1O)c1ccc(C(=O)[O-])cc1 ZINC000729934014 978296126 /nfs/dbraw/zinc/29/61/26/978296126.db2.gz BRBBLGMBXBTTIW-UHFFFAOYSA-N -1 0 326.352 2.563 20 50 EFGDRM CC[C@@H](C(=O)NN=Cc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000731931676 978299863 /nfs/dbraw/zinc/29/98/63/978299863.db2.gz NHHHLCMEJTXBOM-QGZVFWFLSA-N -1 0 340.379 2.794 20 50 EFGDRM CC(C)(C(=O)NN=Cc1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC000736223193 978310291 /nfs/dbraw/zinc/31/02/91/978310291.db2.gz AGZJFKGDYHCTIQ-UHFFFAOYSA-N -1 0 326.352 2.518 20 50 EFGDRM CC(C)(C(=O)NNC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000736223256 978310397 /nfs/dbraw/zinc/31/03/97/978310397.db2.gz DJKSBKORBLQQJB-UHFFFAOYSA-N -1 0 341.367 2.515 20 50 EFGDRM CC(C)(C(=O)NNC(=O)c1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736224016 978311331 /nfs/dbraw/zinc/31/13/31/978311331.db2.gz SPZASYUJTUVKEA-UHFFFAOYSA-N -1 0 341.367 2.515 20 50 EFGDRM C[C@@H](OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736700370 978349398 /nfs/dbraw/zinc/34/93/98/978349398.db2.gz KACVTSZZDVUIRY-LLVKDONJSA-N -1 0 345.307 2.804 20 50 EFGDRM C[C@H](Oc1cccc(F)c1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736704221 978351067 /nfs/dbraw/zinc/35/10/67/978351067.db2.gz PVPNJFKKBWZRGD-VIFPVBQESA-N -1 0 349.270 2.805 20 50 EFGDRM C[C@H]1CCC[C@H](OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000736779005 978355212 /nfs/dbraw/zinc/35/52/12/978355212.db2.gz HSQSCAYRVNZWNT-QWRGUYRKSA-N -1 0 337.328 2.794 20 50 EFGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCCNC(=O)[O-])c1C ZINC000737004174 978371981 /nfs/dbraw/zinc/37/19/81/978371981.db2.gz NQEZCQLAFAGLOS-GDNBJRDFSA-N -1 0 333.388 2.623 20 50 EFGDRM CCOC(=O)C(C#N)=CNc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000737130350 978382289 /nfs/dbraw/zinc/38/22/89/978382289.db2.gz YEQKFRGBFAIOGK-WQLSENKSSA-N -1 0 343.364 2.891 20 50 EFGDRM CCOc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000737209641 978389406 /nfs/dbraw/zinc/38/94/06/978389406.db2.gz AADFVHJLQWKPCY-UHFFFAOYSA-N -1 0 331.280 2.911 20 50 EFGDRM CN(CCCC(=O)NNc1ccnc2cc(Cl)ccc21)C(=O)[O-] ZINC000737426409 978407008 /nfs/dbraw/zinc/40/70/08/978407008.db2.gz DXCGPLSRHJKZGL-UHFFFAOYSA-N -1 0 336.779 2.721 20 50 EFGDRM COc1cc(OC)cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000737901607 978456151 /nfs/dbraw/zinc/45/61/51/978456151.db2.gz CVBNOTNIPQWQFZ-UHFFFAOYSA-N -1 0 347.279 2.529 20 50 EFGDRM COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)c1 ZINC000737946655 978461793 /nfs/dbraw/zinc/46/17/93/978461793.db2.gz GAVPJKIQXGAJFF-UHFFFAOYSA-N -1 0 331.280 2.829 20 50 EFGDRM COc1ccc(C)cc1CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000737976152 978463324 /nfs/dbraw/zinc/46/33/24/978463324.db2.gz QFBVWGMOZXLIDS-UHFFFAOYSA-N -1 0 345.307 2.758 20 50 EFGDRM COc1ccc(CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737986795 978464286 /nfs/dbraw/zinc/46/42/86/978464286.db2.gz IGFXYTLMGDUEJB-UHFFFAOYSA-N -1 0 345.307 2.840 20 50 EFGDRM Cc1[nH]c(C(=O)NN=c2[nH]ccc3sccc32)c(C)c1C(=O)[O-] ZINC000738157212 978488650 /nfs/dbraw/zinc/48/86/50/978488650.db2.gz PCQFXFSCAGADMO-UHFFFAOYSA-N -1 0 330.369 2.696 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)C(=O)[O-])c(C)n1CC(C)C ZINC000738230899 978504921 /nfs/dbraw/zinc/50/49/21/978504921.db2.gz OVONDRFTMCGXQN-NVNXTCNLSA-N -1 0 331.416 2.647 20 50 EFGDRM Cc1ccc(-n2cc(C(=O)NNC(=O)[O-])c(-c3ccccc3)n2)cc1 ZINC000738250172 978507159 /nfs/dbraw/zinc/50/71/59/978507159.db2.gz HUEIDVFWNAVQCY-UHFFFAOYSA-N -1 0 336.351 2.760 20 50 EFGDRM Cc1ccc(C(=O)[O-])cc1NC(=O)NN=c1cnc2ccccc2[nH]1 ZINC000738535168 978552490 /nfs/dbraw/zinc/55/24/90/978552490.db2.gz BPAOMJLZRBHUEI-UHFFFAOYSA-N -1 0 337.339 2.785 20 50 EFGDRM Cc1cccc(C)c1OCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738688492 978588611 /nfs/dbraw/zinc/58/86/11/978588611.db2.gz JBWFLCVBHKYMNV-UHFFFAOYSA-N -1 0 345.307 2.894 20 50 EFGDRM Cc1nn(CCCl)c(C)c1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000738922410 978608678 /nfs/dbraw/zinc/60/86/78/978608678.db2.gz HSDIZJDPAZSDQR-UHFFFAOYSA-N -1 0 347.802 2.593 20 50 EFGDRM Cc1oc(C=NNC(=O)Nc2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC000738970219 978611453 /nfs/dbraw/zinc/61/14/53/978611453.db2.gz SEDLRFPMDRCLLN-UHFFFAOYSA-N -1 0 330.344 2.508 20 50 EFGDRM Cc1oc(C=NNC(=O)c2cccc(OC(F)F)c2)cc1C(=O)[O-] ZINC000738968850 978611455 /nfs/dbraw/zinc/61/14/55/978611455.db2.gz DHIROGQTPRHFFO-UHFFFAOYSA-N -1 0 338.266 2.652 20 50 EFGDRM O=C([O-])c1cc(OC(=O)CCCc2ccccn2)ccc1[N+](=O)[O-] ZINC000739236707 978623002 /nfs/dbraw/zinc/62/30/02/978623002.db2.gz QEAYYRZGOVIRDG-UHFFFAOYSA-N -1 0 330.296 2.616 20 50 EFGDRM O=C([O-])c1cc(OC(=O)Cc2noc3ccccc23)ccc1[N+](=O)[O-] ZINC000739355879 978632469 /nfs/dbraw/zinc/63/24/69/978632469.db2.gz REVYDFMREBNHBQ-UHFFFAOYSA-N -1 0 342.263 2.582 20 50 EFGDRM O=C([O-])c1ccc(CCNC(=O)NNc2c(F)cccc2F)cc1 ZINC000739430533 978635071 /nfs/dbraw/zinc/63/50/71/978635071.db2.gz QIADXTVMTOPWBP-UHFFFAOYSA-N -1 0 335.310 2.532 20 50 EFGDRM O=C([O-])[C@H](NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 ZINC000739503982 978643152 /nfs/dbraw/zinc/64/31/52/978643152.db2.gz GBFMRPFRVZMPNF-FVTZREDMSA-N -1 0 346.402 2.789 20 50 EFGDRM O=C([O-])NCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl ZINC000739937975 978659401 /nfs/dbraw/zinc/65/94/01/978659401.db2.gz KKMLQWVICKXUSF-UHFFFAOYSA-N -1 0 326.567 2.748 20 50 EFGDRM O=C([O-])NCCCC(=O)NN(Cc1ccccc1)c1ccccc1 ZINC000739956924 978660760 /nfs/dbraw/zinc/66/07/60/978660760.db2.gz OOVLIUIJTYCXMZ-UHFFFAOYSA-N -1 0 327.384 2.772 20 50 EFGDRM O=C([O-])Nc1cccc(C(=O)NNc2cccc(C(F)(F)F)n2)c1 ZINC000740033189 978663718 /nfs/dbraw/zinc/66/37/18/978663718.db2.gz GOUGPRMSVLANKC-UHFFFAOYSA-N -1 0 340.261 2.947 20 50 EFGDRM O=C([O-])c1cc(OC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)ccc1[N+](=O)[O-] ZINC000740087418 978667295 /nfs/dbraw/zinc/66/72/95/978667295.db2.gz MDEISBJEHKYDJP-ZACCUICWSA-N -1 0 347.323 2.594 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNC(=O)c2cccc3ccccc32)s1 ZINC000740109957 978670025 /nfs/dbraw/zinc/67/00/25/978670025.db2.gz QHGBMRUJDKRJRT-UHFFFAOYSA-N -1 0 340.360 2.674 20 50 EFGDRM C[C@H](Oc1ccc(C=NNC(=O)NC2CCCCC2)cc1)C(=O)[O-] ZINC000794868946 978823751 /nfs/dbraw/zinc/82/37/51/978823751.db2.gz SKSVCWUGXPHSEG-LBPRGKRZSA-N -1 0 333.388 2.504 20 50 EFGDRM C[C@H](Oc1ccc(C=NNC(=O)CCc2ccccc2)cc1)C(=O)[O-] ZINC000794904742 978827226 /nfs/dbraw/zinc/82/72/26/978827226.db2.gz BEYZRIOPTFWRPS-AWEZNQCLSA-N -1 0 340.379 2.621 20 50 EFGDRM Cc1ccccc1CC(=O)NN=Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000799881301 978844674 /nfs/dbraw/zinc/84/46/74/978844674.db2.gz NWZCDALZYCCQOG-UHFFFAOYSA-N -1 0 349.390 2.727 20 50 EFGDRM CC(=NNC(=O)[C@@H]1COc2ccccc2O1)[C@@H](C)CCCCC(=O)[O-] ZINC000814700815 978874373 /nfs/dbraw/zinc/87/43/73/978874373.db2.gz DYTQJNDAKYSHJX-LRDDRELGSA-N -1 0 348.399 2.600 20 50 EFGDRM C[C@@H]1C(=NNC(=O)c2cc(-c3ccccc3)n[nH]2)CC[C@@H]1CC(=O)[O-] ZINC000814706090 978875213 /nfs/dbraw/zinc/87/52/13/978875213.db2.gz CPZYLVPUULJJGQ-WCQYABFASA-N -1 0 340.383 2.683 20 50 EFGDRM C[C@H](Oc1ccccc1F)C(=O)NN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC000814746406 978879416 /nfs/dbraw/zinc/87/94/16/978879416.db2.gz GENNZSAOKAZDGW-SRVKXCTJSA-N -1 0 336.363 2.586 20 50 EFGDRM Cc1cccc(O[C@@H](C)C(=O)NN=Cc2cccc(C(=O)[O-])c2)c1C ZINC000814748116 978879707 /nfs/dbraw/zinc/87/97/07/978879707.db2.gz IGTZYHUSKPAGFX-AWEZNQCLSA-N -1 0 340.379 2.919 20 50 EFGDRM CCOc1ccc(C(=O)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1OC ZINC000814754529 978881264 /nfs/dbraw/zinc/88/12/64/978881264.db2.gz KXJIAMNASPAACD-NWDGAFQWSA-N -1 0 348.399 2.701 20 50 EFGDRM Cc1ccc(NCC(=O)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)c(C)c1 ZINC000814758254 978882135 /nfs/dbraw/zinc/88/21/35/978882135.db2.gz NEWDMMMOUAXTCM-ZIAGYGMSSA-N -1 0 331.416 2.708 20 50 EFGDRM CC(=NNC(=O)c1ccc2c(c1)OCCO2)[C@@H](C)CCCCC(=O)[O-] ZINC000814789053 978885825 /nfs/dbraw/zinc/88/58/25/978885825.db2.gz VDPJQDOXAVOVTC-LBPRGKRZSA-N -1 0 348.399 2.845 20 50 EFGDRM C[C@H]1C(=NNC(=O)c2cccc3cccnc32)CC[C@@H]1CC(=O)[O-] ZINC000814824179 978888854 /nfs/dbraw/zinc/88/88/54/978888854.db2.gz LUCSAFSCDPZGIB-DGCLKSJQSA-N -1 0 325.368 2.841 20 50 EFGDRM C[C@@H]1C(=NNC(=O)c2cccc3cccnc32)CC[C@H]1CC(=O)[O-] ZINC000814824178 978889031 /nfs/dbraw/zinc/88/90/31/978889031.db2.gz LUCSAFSCDPZGIB-AAEUAGOBSA-N -1 0 325.368 2.841 20 50 EFGDRM CC(=NNC(=O)[C@H]1Cc2ccccc2O1)[C@@H](C)CCCCC(=O)[O-] ZINC000814826362 978889721 /nfs/dbraw/zinc/88/97/21/978889721.db2.gz URVKSOWXLGKSFA-BLLLJJGKSA-N -1 0 332.400 2.763 20 50 EFGDRM C[C@H]1C(=NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)CC[C@@H]1CC(=O)[O-] ZINC000814918474 978898760 /nfs/dbraw/zinc/89/87/60/978898760.db2.gz RNQNWMBZNVXTAU-TXPWEPMLSA-N -1 0 344.411 2.552 20 50 EFGDRM COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)[O-])[nH]2)cc1Cl ZINC000832388189 979045027 /nfs/dbraw/zinc/04/50/27/979045027.db2.gz DSAAOGPXBGPNOL-RMKNXTFCSA-N -1 0 345.742 2.921 20 50 EFGDRM CC[C@H](C)c1ncc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cn1 ZINC001595017753 979083350 /nfs/dbraw/zinc/08/33/50/979083350.db2.gz KUEXTYHNRCGRNW-VIFPVBQESA-N -1 0 347.350 2.976 20 50 EFGDRM C[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1F)CC(F)(F)F ZINC001592675809 979090614 /nfs/dbraw/zinc/09/06/14/979090614.db2.gz HYDMQLKOWFTJIO-ZETCQYMHSA-N -1 0 337.273 2.739 20 50 EFGDRM C[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001592676763 979098698 /nfs/dbraw/zinc/09/86/98/979098698.db2.gz XVMSSHDIBPJBMP-NSHDSACASA-N -1 0 331.347 2.954 20 50 EFGDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)C(C#N)=Cc1ccccc1 ZINC001595041240 979221763 /nfs/dbraw/zinc/22/17/63/979221763.db2.gz HXKMIMPSFKBHAQ-GXDHUFHOSA-N -1 0 329.352 2.597 20 50 EFGDRM C[C@@H](COc1ccccc1)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592783114 979420728 /nfs/dbraw/zinc/42/07/28/979420728.db2.gz POTGHEFTFWQPKG-NSHDSACASA-N -1 0 347.346 2.618 20 50 EFGDRM C[C@@H](CSCc1ccccc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001592824985 979539710 /nfs/dbraw/zinc/53/97/10/979539710.db2.gz APUGIPAXGUXTTE-LBPRGKRZSA-N -1 0 345.424 2.792 20 50 EFGDRM C[C@H](CSc1ccc(F)cc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001592829848 979551208 /nfs/dbraw/zinc/55/12/08/979551208.db2.gz DSONPHWOMLXYHQ-SNVBAGLBSA-N -1 0 349.387 2.790 20 50 EFGDRM C[C@@H](Cc1cccc(F)c1)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592884817 979766212 /nfs/dbraw/zinc/76/62/12/979766212.db2.gz CDCUEAZBBIFSPE-LBPRGKRZSA-N -1 0 330.359 2.775 20 50 EFGDRM C[C@@H](Cc1cccc(F)c1)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592885964 979772429 /nfs/dbraw/zinc/77/24/29/979772429.db2.gz VOAWLFMILYFBOD-JTQLQIEISA-N -1 0 334.322 2.985 20 50 EFGDRM C[C@H](Cc1ccsc1)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592906111 979842125 /nfs/dbraw/zinc/84/21/25/979842125.db2.gz KWQFDCIZHURQFB-SECBINFHSA-N -1 0 337.376 2.843 20 50 EFGDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)[O-] ZINC000864452652 979936052 /nfs/dbraw/zinc/93/60/52/979936052.db2.gz QVBSIHYKLYYQSU-CQSZACIVSA-N -1 0 345.848 2.556 20 50 EFGDRM CC(C)(CNC(=O)NNc1ccc(CC(=O)[O-])cc1)C(C)(F)F ZINC001592934856 979994179 /nfs/dbraw/zinc/99/41/79/979994179.db2.gz SSSGRJGUYYBXAF-UHFFFAOYSA-N -1 0 329.347 2.621 20 50 EFGDRM CC[C@H](Oc1ccccc1C)C(=O)NNc1ccccc1C(=O)[O-] ZINC001595356325 980710919 /nfs/dbraw/zinc/71/09/19/980710919.db2.gz AKYPCUHLDTWCBT-HNNXBMFYSA-N -1 0 328.368 2.994 20 50 EFGDRM CCC1(C(=O)NNc2cc(C(=O)[O-])ccc2Br)CC1 ZINC001595366653 980815994 /nfs/dbraw/zinc/81/59/94/980815994.db2.gz OIDPCDXAQSVZNB-UHFFFAOYSA-N -1 0 327.178 2.781 20 50 EFGDRM CCC1(CC)[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@H](C)[C@@H]1OC ZINC001595373872 980877962 /nfs/dbraw/zinc/87/79/62/980877962.db2.gz QBMLEVKJENTSEQ-GLQYFDAESA-N -1 0 349.431 2.851 20 50 EFGDRM CC[C@H]1C[C@@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC001595407980 980995224 /nfs/dbraw/zinc/99/52/24/980995224.db2.gz KEAUVJGPPGSJNM-ONGXEEELSA-N -1 0 326.780 2.687 20 50 EFGDRM CC[C@H](C(=O)[O-])C(=O)NNc1ccc(Cl)c(Br)c1 ZINC001594755792 981669419 /nfs/dbraw/zinc/66/94/19/981669419.db2.gz SKSJWMNZERRQIB-ZETCQYMHSA-N -1 0 335.585 2.656 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000910238078 981804155 /nfs/dbraw/zinc/80/41/55/981804155.db2.gz CYYPQMZVTNENAL-WRWGMCAJSA-N -1 0 346.265 2.898 20 50 EFGDRM CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594865615 982168221 /nfs/dbraw/zinc/16/82/21/982168221.db2.gz CSYAGNLVZZWUSW-SNVBAGLBSA-N -1 0 329.356 2.737 20 50 EFGDRM CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594865613 982168521 /nfs/dbraw/zinc/16/85/21/982168521.db2.gz CSYAGNLVZZWUSW-JTQLQIEISA-N -1 0 329.356 2.737 20 50 EFGDRM CCCCCCO[C@H](C)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001595711352 982299422 /nfs/dbraw/zinc/29/94/22/982299422.db2.gz VLQLZFZNDVTHGT-LLVKDONJSA-N -1 0 326.368 2.952 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC000911659725 982589976 /nfs/dbraw/zinc/58/99/76/982589976.db2.gz NPHUHPOSIRUJLN-PWSUYJOCSA-N -1 0 343.221 2.523 20 50 EFGDRM Cc1ccc(SCC(=O)NN=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000916345577 982674927 /nfs/dbraw/zinc/67/49/27/982674927.db2.gz HGEFLSYQZNOGQB-UHFFFAOYSA-N -1 0 328.393 2.936 20 50 EFGDRM CCCN(NC(=O)Cc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC001595894814 982933370 /nfs/dbraw/zinc/93/33/70/982933370.db2.gz YENFBLOXVQSZCS-UHFFFAOYSA-N -1 0 336.388 2.606 20 50 EFGDRM CCCN(NC(=O)/C=C/c1ccc(C(=O)[O-])o1)C(=O)OC(C)(C)C ZINC001595894766 982933510 /nfs/dbraw/zinc/93/35/10/982933510.db2.gz VITARUNWYVAGED-VQHVLOKHSA-N -1 0 338.360 2.669 20 50 EFGDRM CCCOc1ccc(OCC(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC001595966986 983175920 /nfs/dbraw/zinc/17/59/20/983175920.db2.gz YRRFDAVACVOXEQ-UHFFFAOYSA-N -1 0 344.367 2.696 20 50 EFGDRM C#C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccc(F)cc1 ZINC001588374562 983345405 /nfs/dbraw/zinc/34/54/05/983345405.db2.gz ZOWQUONGOFDJDW-CYBMUJFWSA-N -1 0 345.305 2.664 20 50 EFGDRM CCCn1nc(C)c(C(=O)NNc2cccc(C(=O)[O-])c2F)c1C ZINC001596118214 983451666 /nfs/dbraw/zinc/45/16/66/983451666.db2.gz MRYVQAZAUYWBPO-UHFFFAOYSA-N -1 0 334.351 2.504 20 50 EFGDRM C=C(C)CCC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001588555140 983633013 /nfs/dbraw/zinc/63/30/13/983633013.db2.gz ZKZLIVHXNNCLMW-UHFFFAOYSA-N -1 0 327.178 2.947 20 50 EFGDRM C=CCC[C@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1 ZINC001588776737 984153149 /nfs/dbraw/zinc/15/31/49/984153149.db2.gz DCXBXDSFHJVYCW-HNNXBMFYSA-N -1 0 325.368 2.973 20 50 EFGDRM CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1cc(C(=O)[O-])co1 ZINC001589012363 984992092 /nfs/dbraw/zinc/99/20/92/984992092.db2.gz JBXWVPIFXQYZQR-UHFFFAOYSA-N -1 0 330.344 2.590 20 50 EFGDRM CC(=O)Nc1c(C)cccc1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001589165248 985502511 /nfs/dbraw/zinc/50/25/11/985502511.db2.gz AZLASMLPBJZHFT-UHFFFAOYSA-N -1 0 345.330 2.548 20 50 EFGDRM CCO/C=C(/C#N)C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001596860285 985623572 /nfs/dbraw/zinc/62/35/72/985623572.db2.gz IITXKSDCCBVYDQ-JKVPJNLHSA-N -1 0 342.395 2.510 20 50 EFGDRM CCO/C=C(/C#N)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001596861585 985637202 /nfs/dbraw/zinc/63/72/02/985637202.db2.gz DPNULHZRXSSONP-NXIHDVOMSA-N -1 0 342.273 2.548 20 50 EFGDRM Cc1[nH]c(C(=O)NNc2ccc(Cl)cc2F)c(C)c1C(=O)[O-] ZINC001599953807 985654087 /nfs/dbraw/zinc/65/40/87/985654087.db2.gz LUCAMXAJBCXTSX-UHFFFAOYSA-N -1 0 325.727 2.879 20 50 EFGDRM CC(=O)c1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001589309014 986075881 /nfs/dbraw/zinc/07/58/81/986075881.db2.gz FBLTVJRJARZPFL-UHFFFAOYSA-N -1 0 345.330 2.553 20 50 EFGDRM CCOc1ccc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)cc1OC ZINC001597062622 986559304 /nfs/dbraw/zinc/55/93/04/986559304.db2.gz YUWZKJZUGINGKO-UHFFFAOYSA-N -1 0 344.367 2.857 20 50 EFGDRM CCOc1ccc(/C=C(/C#N)C(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC001597081189 986622436 /nfs/dbraw/zinc/62/24/36/986622436.db2.gz CHWCHMCVWRPHGV-QPEQYQDCSA-N -1 0 340.335 2.600 20 50 EFGDRM CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC001597081408 986625170 /nfs/dbraw/zinc/62/51/70/986625170.db2.gz JXTNZZAHWVMLCF-QAZQYGAVSA-N -1 0 342.395 2.561 20 50 EFGDRM C[C@@H]1Cc2cc(NC(=O)NNc3ccc(CC(=O)[O-])cc3)ccc2O1 ZINC001594619104 986646273 /nfs/dbraw/zinc/64/62/73/986646273.db2.gz VBKUJVMBIQCKOV-LLVKDONJSA-N -1 0 341.367 2.786 20 50 EFGDRM C[C@@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1F ZINC001589424369 986691695 /nfs/dbraw/zinc/69/16/95/986691695.db2.gz UNGLLQFEHSYEKK-SNVBAGLBSA-N -1 0 334.322 2.839 20 50 EFGDRM CCOc1cccc(CCC(=O)NNc2cccc(F)c2C(=O)[O-])c1 ZINC001597153230 986936867 /nfs/dbraw/zinc/93/68/67/986936867.db2.gz GFVKULWQJSXYMX-UHFFFAOYSA-N -1 0 346.358 2.999 20 50 EFGDRM CCOc1cccc(CCC(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001597154119 986941569 /nfs/dbraw/zinc/94/15/69/986941569.db2.gz ZAPULIIIBRBTIZ-UHFFFAOYSA-N -1 0 346.358 2.999 20 50 EFGDRM CCOc1cccc(CNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001597155507 986950053 /nfs/dbraw/zinc/95/00/53/986950053.db2.gz MVCVTAYUJUVSJA-UHFFFAOYSA-N -1 0 347.346 2.749 20 50 EFGDRM CCC(=O)c1ccc(C(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001594716709 987189427 /nfs/dbraw/zinc/18/94/27/987189427.db2.gz BBJVQDIEXKHBLI-UHFFFAOYSA-N -1 0 330.315 2.874 20 50 EFGDRM CC[C@@H](C(=O)NNC(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001594735414 987268633 /nfs/dbraw/zinc/26/86/33/987268633.db2.gz AGSLCZVBJMYXBP-LLVKDONJSA-N -1 0 347.396 2.793 20 50 EFGDRM CCSc1cc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)ccn1 ZINC001597268232 987308937 /nfs/dbraw/zinc/30/89/37/987308937.db2.gz TZSHQBQFIZWLRV-UHFFFAOYSA-N -1 0 335.360 2.788 20 50 EFGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NNc2ccc(F)cn2)cc1 ZINC001589637769 987557112 /nfs/dbraw/zinc/55/71/12/987557112.db2.gz JYSNWCQHMPSVLO-UHFFFAOYSA-N -1 0 332.335 2.732 20 50 EFGDRM CC(C)(C)C(=O)NN=Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001589693585 987766858 /nfs/dbraw/zinc/76/68/58/987766858.db2.gz PCSCZKVVLVQFOC-UHFFFAOYSA-N -1 0 327.178 2.644 20 50 EFGDRM CCc1cc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc(Cl)n1 ZINC001597431119 987771629 /nfs/dbraw/zinc/77/16/29/987771629.db2.gz ITTXHOFDDCZZHA-UHFFFAOYSA-N -1 0 337.738 2.892 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001589698579 987780741 /nfs/dbraw/zinc/78/07/41/987780741.db2.gz CTGAQYDGDHWVCZ-RBZYPMLTSA-N -1 0 334.254 2.946 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001589698578 987780786 /nfs/dbraw/zinc/78/07/86/987780786.db2.gz CTGAQYDGDHWVCZ-IMSIIYSGSA-N -1 0 334.254 2.946 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001589698580 987781157 /nfs/dbraw/zinc/78/11/57/987781157.db2.gz CTGAQYDGDHWVCZ-RULNRJAQSA-N -1 0 334.254 2.946 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001589698593 987781846 /nfs/dbraw/zinc/78/18/46/987781846.db2.gz CYZGRSNYCZBXBF-SNVBAGLBSA-N -1 0 330.178 2.633 20 50 EFGDRM CS[C@H](CNC(=O)NNc1ccc(C(=O)[O-])cc1F)C(C)(C)C ZINC001599787452 987947569 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CCc1cccc(C)c1NNC(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001597580987 988384871 /nfs/dbraw/zinc/38/48/71/988384871.db2.gz KVAMFKTYWNHHFG-UHFFFAOYSA-N -1 0 344.415 2.729 20 50 EFGDRM CCc1ccccc1CC(=O)NNc1ccc(C(=O)[O-])cc1OC ZINC001597608770 988485727 /nfs/dbraw/zinc/48/57/27/988485727.db2.gz CJKOGOOVLDFZGN-UHFFFAOYSA-N -1 0 328.368 2.642 20 50 EFGDRM CCc1oc2ccccc2c1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001597808373 989425792 /nfs/dbraw/zinc/42/57/92/989425792.db2.gz ZNXZQLZFVPVHSV-UHFFFAOYSA-N -1 0 325.324 2.845 20 50 EFGDRM CC(C)(C)Oc1cccc(C(=O)NNc2ccccc2C(=O)[O-])n1 ZINC001590416208 989954913 /nfs/dbraw/zinc/95/49/13/989954913.db2.gz HWPMTVAQJMTWMG-UHFFFAOYSA-N -1 0 329.356 2.714 20 50 EFGDRM CC(C)(C)c1ccc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)nn1 ZINC001590493690 990096352 /nfs/dbraw/zinc/09/63/52/990096352.db2.gz OBHKRDFUUJJBDH-UHFFFAOYSA-N -1 0 347.350 2.760 20 50 EFGDRM CC(C)(Oc1ccccc1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001590906847 990870915 /nfs/dbraw/zinc/87/09/15/990870915.db2.gz 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O=C([O-])c1cc(OC(=O)c2ccnn2C2CCCC2)ccc1[N+](=O)[O-] ZINC000833300423 604390227 /nfs/dbraw/zinc/39/02/27/604390227.db2.gz DXZZYISPYWINAD-UHFFFAOYSA-N -1 0 345.311 2.824 20 50 EFGDRM Cc1ccc(F)c(OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000832935073 604390476 /nfs/dbraw/zinc/39/04/76/604390476.db2.gz VREMRMPMRJXCEV-UHFFFAOYSA-N -1 0 349.270 2.725 20 50 EFGDRM CC[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)c1c(C)noc1C ZINC000833636308 604647951 /nfs/dbraw/zinc/64/79/51/604647951.db2.gz NRDRWTZHLYNINL-LBPRGKRZSA-N -1 0 347.371 2.635 20 50 EFGDRM CN(C(=O)[O-])c1ccc(NC(=O)NNc2ncccc2Cl)cc1 ZINC000833685714 604730919 /nfs/dbraw/zinc/73/09/19/604730919.db2.gz PZTNSKDKTMQQJJ-UHFFFAOYSA-N -1 0 335.751 2.998 20 50 EFGDRM CC(C)(C)c1ccccc1OCC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833449342 604802195 /nfs/dbraw/zinc/80/21/95/604802195.db2.gz IKCFXSUSRQAGEQ-UHFFFAOYSA-N -1 0 343.383 2.599 20 50 EFGDRM CC(C)Cc1ccc(CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC000833494530 604803191 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CCc1[nH]c(C(=O)NNc2cccc3cnccc32)c(C)c1C(=O)[O-] ZINC000833667888 604939427 /nfs/dbraw/zinc/93/94/27/604939427.db2.gz KWZXTZZKUGPHQC-UHFFFAOYSA-N -1 0 338.367 2.889 20 50 EFGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1cccc2ccccc21 ZINC000833406429 605039191 /nfs/dbraw/zinc/03/91/91/605039191.db2.gz GBHNFZGDGDNVNB-CQSZACIVSA-N -1 0 349.390 2.980 20 50 EFGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)Cc1ccc2ccccc2c1 ZINC000833406447 605040148 /nfs/dbraw/zinc/04/01/48/605040148.db2.gz GNYQFWOUPLJJGA-CQSZACIVSA-N -1 0 349.390 2.980 20 50 EFGDRM CC[C@H](C(=O)NN=Cc1cccn1[C@H](C)C(=O)[O-])c1ccccc1 ZINC000833635926 605040354 /nfs/dbraw/zinc/04/03/54/605040354.db2.gz CDCFRUBCXZBBQS-CJNGLKHVSA-N -1 0 327.384 2.778 20 50 EFGDRM CC(C)(C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1cccnc1 ZINC000833411796 605246464 /nfs/dbraw/zinc/24/64/64/605246464.db2.gz PHIJGQSPIOATCL-UHFFFAOYSA-N -1 0 333.775 2.854 20 50 EFGDRM C=CCOc1cccnc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833378591 605246660 /nfs/dbraw/zinc/24/66/60/605246660.db2.gz 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CC(C)(CC(=O)[O-])CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000833454989 605715284 /nfs/dbraw/zinc/71/52/84/605715284.db2.gz ZPGSOPDCLUUOIS-UHFFFAOYSA-N -1 0 343.305 2.911 20 50 EFGDRM CC1(C)Cc2ccc(C(=O)NNc3ccccc3C(=O)[O-])c(O)c2O1 ZINC000833562732 605721668 /nfs/dbraw/zinc/72/16/68/605721668.db2.gz XXMOXHDDQPGCDK-UHFFFAOYSA-N -1 0 342.351 2.561 20 50 EFGDRM CC(C)Cn1ncc(C(=O)NNc2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000833495018 605732632 /nfs/dbraw/zinc/73/26/32/605732632.db2.gz UTIXAYJUBYEKAR-UHFFFAOYSA-N -1 0 342.399 2.872 20 50 EFGDRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)o1 ZINC000833603654 605741214 /nfs/dbraw/zinc/74/12/14/605741214.db2.gz GKELYFAGGRPHNN-QMTHXVAHSA-N -1 0 329.356 2.928 20 50 EFGDRM CC(C)(C)c1ccc(NNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000833448948 605743056 /nfs/dbraw/zinc/74/30/56/605743056.db2.gz KZODONKZZOPMMC-AWEZNQCLSA-N -1 0 334.420 2.753 20 50 EFGDRM C=CC[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000833369786 605743136 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CCCC[C@H]1CCC[C@@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736440542 1429074267 /nfs/dbraw/zinc/07/42/67/1429074267.db2.gz DANQNIMOLWJTMQ-WFASDCNBSA-N -1 0 343.435 2.852 20 50 EFGDRM CC[C@H](Cc1ccccc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825128588 1429083495 /nfs/dbraw/zinc/08/34/95/1429083495.db2.gz VYQYWVJFOQQYBC-CQSZACIVSA-N -1 0 336.399 2.579 20 50 EFGDRM O=C(NNc1cc(-c2nn[n-]n2)cc(Cl)n1)C1CCCCCCC1 ZINC000826445346 1429273257 /nfs/dbraw/zinc/27/32/57/1429273257.db2.gz QDZLZCLUAMQUJI-UHFFFAOYSA-N -1 0 349.826 2.719 20 50 EFGDRM O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826447729 1429432857 /nfs/dbraw/zinc/43/28/57/1429432857.db2.gz TUFDTRZECBZBGJ-UHFFFAOYSA-N -1 0 348.288 2.642 20 50 EFGDRM C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820703754 1423710725 /nfs/dbraw/zinc/71/07/25/1423710725.db2.gz JZFPONRUFDOLPA-RGRUTMMBSA-N -1 0 342.428 2.530 20 50 EFGDRM CCC(CC)C(=O)C(C#N)=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736337582 1423961949 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O=C([O-])CC1(C(=O)NNc2cccc(F)c2Br)CCC1 ZINC001594976319 950916040 /nfs/dbraw/zinc/91/60/40/950916040.db2.gz MCCZWBDWRYMNNZ-UHFFFAOYSA-N -1 0 345.168 2.676 20 50 EFGDRM CCOC(=O)c1ccc(NNC(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC001591176250 951086612 /nfs/dbraw/zinc/08/66/12/951086612.db2.gz JULHFQJSMJFZGL-UHFFFAOYSA-N -1 0 342.351 2.627 20 50 EFGDRM O=C([O-])CC[C@H]1C[C@H](C(=O)NNc2cc(Cl)ccc2Cl)CO1 ZINC001595004596 951182489 /nfs/dbraw/zinc/18/24/89/951182489.db2.gz KPHBQPYSOVSQKN-WPRPVWTQSA-N -1 0 347.198 2.706 20 50 EFGDRM CCO/C=C(\C#N)C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001591765121 951217484 /nfs/dbraw/zinc/21/74/84/951217484.db2.gz MTOBCDARTNKNNX-MLJWKTOOSA-N -1 0 328.368 2.501 20 50 EFGDRM O=C([O-])CCc1cccc(NC(=O)NNc2ccc(Cl)cn2)c1 ZINC001595064163 951534937 /nfs/dbraw/zinc/53/49/37/951534937.db2.gz FBBYONFGEWWNSX-UHFFFAOYSA-N -1 0 334.763 2.901 20 50 EFGDRM O=C([O-])COc1ccc(C(=O)NNc2ccc(F)cc2Cl)cc1 ZINC001595118671 951957233 /nfs/dbraw/zinc/95/72/33/951957233.db2.gz AWVXYKBGGFRBMF-UHFFFAOYSA-N -1 0 338.722 2.699 20 50 EFGDRM O=C([O-])COc1ccc(C(=O)NNc2ccc(Cl)cc2F)cc1 ZINC001595119436 951965720 /nfs/dbraw/zinc/96/57/20/951965720.db2.gz VUVOIDNUZGBTOR-UHFFFAOYSA-N -1 0 338.722 2.699 20 50 EFGDRM O=C([O-])Cc1ccccc1NC(=O)NNc1ccc([N+](=O)[O-])cc1F ZINC001595136518 952057161 /nfs/dbraw/zinc/05/71/61/952057161.db2.gz KLXPBDHOCXOFTM-UHFFFAOYSA-N -1 0 348.290 2.510 20 50 EFGDRM CC(C)(C)c1ccc(CC(=O)NN=c2[nH]cccc2C(=O)[O-])cc1 ZINC001602923213 971886113 /nfs/dbraw/zinc/88/61/13/971886113.db2.gz YHIWTRMOAKAJCJ-UHFFFAOYSA-N -1 0 327.384 2.763 20 50 EFGDRM CCc1cc(Br)ccc1NNC(=O)CCCC(=O)[O-] ZINC001593628710 953575555 /nfs/dbraw/zinc/57/55/55/953575555.db2.gz RHMLHMFUHCWZKF-UHFFFAOYSA-N -1 0 329.194 2.710 20 50 EFGDRM O=C([O-])c1ccccc1NC(=O)NNc1ccc(C(F)(F)F)cn1 ZINC001594780139 953623898 /nfs/dbraw/zinc/62/38/98/953623898.db2.gz KFFBSAZSYJXEFH-UHFFFAOYSA-N -1 0 340.261 2.947 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001594781916 953638056 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CC[C@@H](CC(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001589464778 954893710 /nfs/dbraw/zinc/89/37/10/954893710.db2.gz XWTIIFKBUXVPDK-LBPRGKRZSA-N -1 0 343.383 2.815 20 50 EFGDRM CCC(CC)(C(=O)[O-])C(=O)NNC(=O)c1c(Cl)cccc1Cl ZINC001589475714 954957326 /nfs/dbraw/zinc/95/73/26/954957326.db2.gz IQIAWYQJMQDZAF-UHFFFAOYSA-N -1 0 347.198 2.645 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000737050698 955218118 /nfs/dbraw/zinc/21/81/18/955218118.db2.gz MWMJDVSAJBVXEY-DISPHTKASA-N -1 0 343.427 2.745 20 50 EFGDRM CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000737195537 955219203 /nfs/dbraw/zinc/21/92/03/955219203.db2.gz RYSYNXUYRNQVFG-DDITZMBXSA-N -1 0 344.411 2.855 20 50 EFGDRM CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000737195540 955219862 /nfs/dbraw/zinc/21/98/62/955219862.db2.gz RYSYNXUYRNQVFG-KMPOOHAWSA-N -1 0 344.411 2.855 20 50 EFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)C(=O)[O-])c1C ZINC000737825136 955227945 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327.384 2.882 20 50 EFGDRM Cc1c(/C=C(\C#N)C(=O)OCc2ccc(C(=O)[O-])cc2)cc(C#N)n1C ZINC000818772792 955424106 /nfs/dbraw/zinc/42/41/06/955424106.db2.gz WVCCFSWJBZGLRB-FRKPEAEDSA-N -1 0 349.346 2.554 20 50 EFGDRM COC(=O)c1ccc(NNC(=O)c2cccc(C(=O)[O-])c2)cc1Cl ZINC000820685421 955476670 /nfs/dbraw/zinc/47/66/70/955476670.db2.gz SFQWFEBTLQPFLB-UHFFFAOYSA-N -1 0 348.742 2.582 20 50 EFGDRM O=C([O-])CCCCCNC(=O)NNc1ccccc1C(F)(F)F ZINC000840992320 955576251 /nfs/dbraw/zinc/57/62/51/955576251.db2.gz YDFOWTWJBBWFKC-UHFFFAOYSA-N -1 0 333.310 2.977 20 50 EFGDRM CC(C)[C@@H](CNC(=O)NNc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000848591153 955763126 /nfs/dbraw/zinc/76/31/26/955763126.db2.gz ZGJBIHHDKNZLAA-SECBINFHSA-N -1 0 349.309 2.568 20 50 EFGDRM Cc1cccc(F)c1NNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848593672 955767942 /nfs/dbraw/zinc/76/79/42/955767942.db2.gz QMZKENVQUUCPPC-SDDRHHMPSA-N -1 0 337.395 2.896 20 50 EFGDRM Cn1nc(C(=O)[O-])cc1/C=C(\C#N)c1nc2ccccc2n1C(F)F ZINC001594566598 955848346 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CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1ccc(C(F)(F)F)cn1 ZINC001589205411 956662215 /nfs/dbraw/zinc/66/22/15/956662215.db2.gz LKUQOWGWDTZIIV-UHFFFAOYSA-N -1 0 345.321 2.681 20 50 EFGDRM O=C([O-])c1cccc(NC(=O)NNC(=O)CCCc2ccccc2)c1 ZINC001594685054 956707645 /nfs/dbraw/zinc/70/76/45/956707645.db2.gz HZYHBURJAPAWGZ-UHFFFAOYSA-N -1 0 341.367 2.560 20 50 EFGDRM Cc1cc(C)c(C)c(OCCC(=O)NN=c2[nH]cccc2C(=O)[O-])c1 ZINC001594292058 957832031 /nfs/dbraw/zinc/83/20/31/957832031.db2.gz GIQBYOKHZTXEAG-UHFFFAOYSA-N -1 0 343.383 2.617 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(C)n1CC(C)C ZINC001594300424 957901720 /nfs/dbraw/zinc/90/17/20/957901720.db2.gz JMOHXVYVLJFYLN-SOYFNLKFSA-N -1 0 343.427 2.647 20 50 EFGDRM C[C@]1(CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])C[C@H]1Br ZINC001339926390 957902440 /nfs/dbraw/zinc/90/24/40/957902440.db2.gz OUYXAELKJHOKLA-JTNHKYCSSA-N -1 0 347.253 2.589 20 50 EFGDRM Cc1cc2cc(C(=O)NN=c3[nH]cccc3C(=O)[O-])oc2cc1C ZINC001594330984 958218473 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Cc1ccc(Cl)cc1NNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001594366370 958492333 /nfs/dbraw/zinc/49/23/33/958492333.db2.gz KJBKSGMQIARDHT-UHFFFAOYSA-N -1 0 325.796 2.918 20 50 EFGDRM Cc1ccc(Cl)cc1NNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001594366424 958492603 /nfs/dbraw/zinc/49/26/03/958492603.db2.gz MHGSJHWZNLMAEF-UHFFFAOYSA-N -1 0 328.821 2.690 20 50 EFGDRM CC(=Cc1ccc(Cl)cc1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001573339521 958529882 /nfs/dbraw/zinc/52/98/82/958529882.db2.gz FVVJSTNJBGBFGT-KTKRTIGZSA-N -1 0 331.759 2.980 20 50 EFGDRM Cc1cccc(Br)c1NNC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001594386701 958681315 /nfs/dbraw/zinc/68/13/15/958681315.db2.gz WJZRZQNAWWAAHL-JTQLQIEISA-N -1 0 329.194 2.557 20 50 EFGDRM Cc1cccc(Br)c1NNC(=O)[C@H](C(=O)[O-])C(C)C ZINC001594386702 958681384 /nfs/dbraw/zinc/68/13/84/958681384.db2.gz WJZRZQNAWWAAHL-SNVBAGLBSA-N -1 0 329.194 2.557 20 50 EFGDRM Cc1cccc(Br)c1NNC(=O)C1(CC(=O)[O-])CCC1 ZINC001594386724 958682770 /nfs/dbraw/zinc/68/27/70/958682770.db2.gz XHVHEUASMQBXJK-UHFFFAOYSA-N -1 0 341.205 2.846 20 50 EFGDRM Cc1cccc2sc(=NNC(=O)Nc3cncc(C(=O)[O-])c3)[nH]c21 ZINC001594413523 958971479 /nfs/dbraw/zinc/97/14/79/958971479.db2.gz GAKDPVFBLYJEBU-UHFFFAOYSA-N -1 0 343.368 2.847 20 50 EFGDRM Cc1nc2c(F)cccc2cc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001594461586 959463633 /nfs/dbraw/zinc/46/36/33/959463633.db2.gz LCXNSBZWJZCDSP-UHFFFAOYSA-N -1 0 340.314 2.532 20 50 EFGDRM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)CCCCCl)ccc12 ZINC000190768540 959522305 /nfs/dbraw/zinc/52/23/05/959522305.db2.gz DWWBKDLAELVTRN-UHFFFAOYSA-N -1 0 330.793 2.627 20 50 EFGDRM CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)[O-])cc2)cc1 ZINC000212515808 959714017 /nfs/dbraw/zinc/71/40/17/959714017.db2.gz BKLOPPQQYJBMSO-GDNBJRDFSA-N -1 0 349.346 2.889 20 50 EFGDRM CC(C)(C)Oc1cccc(C(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001588734375 961118471 /nfs/dbraw/zinc/11/84/71/961118471.db2.gz LOMVOHWFZIHWIC-UHFFFAOYSA-N -1 0 329.356 2.714 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC(=O)[O-])C(C)C)c1C ZINC001573867178 961201073 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O=C([O-])C1(C(=O)NNC(=O)c2ccccc2Cl)CCCCCC1 ZINC001574579091 962096506 /nfs/dbraw/zinc/09/65/06/962096506.db2.gz UDHHHGCAYSYCKG-UHFFFAOYSA-N -1 0 338.791 2.526 20 50 EFGDRM O=C([O-])C1CCC(NC(=O)NNc2ccc(Cl)cc2F)CC1 ZINC001574579139 962098248 /nfs/dbraw/zinc/09/82/48/962098248.db2.gz WEKMSUMUQCHXFO-UHFFFAOYSA-N -1 0 329.759 2.749 20 50 EFGDRM O=C([O-])[C@@H](C(=O)NNc1cccc(Br)c1)C1CCCC1 ZINC001574617211 962233178 /nfs/dbraw/zinc/23/31/78/962233178.db2.gz NQSMAZVWBVJCGB-GFCCVEGCSA-N -1 0 341.205 2.783 20 50 EFGDRM CC(C)c1ccccc1OCCC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001588972890 962670045 /nfs/dbraw/zinc/67/00/45/962670045.db2.gz CAWHLAHORYKPAB-UHFFFAOYSA-N -1 0 343.383 2.815 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001517400367 962787120 /nfs/dbraw/zinc/78/71/20/962787120.db2.gz ZHOAXFBSROJMMS-LLVKDONJSA-N -1 0 334.254 2.947 20 50 EFGDRM CC(C)N(CCC(=O)[O-])S(=O)(=O)c1ccc(CCCCl)cc1 ZINC000275146661 962828408 /nfs/dbraw/zinc/82/84/08/962828408.db2.gz QSFLIKZGHCBVTQ-UHFFFAOYSA-N -1 0 347.864 2.732 20 50 EFGDRM COc1ccc(NNC(=O)CCCCC(=O)[O-])c(Br)c1 ZINC001574218760 962952838 /nfs/dbraw/zinc/95/28/38/962952838.db2.gz JVPCEDMZYFIJLE-UHFFFAOYSA-N -1 0 345.193 2.546 20 50 EFGDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)C(=O)[O-] ZINC001573366589 963060487 /nfs/dbraw/zinc/06/04/87/963060487.db2.gz NHIRKEPCOITODY-AWEZNQCLSA-N -1 0 345.848 2.556 20 50 EFGDRM CC(C)C[C@@H](CNC(=O)NNc1c(F)cccc1Cl)C(=O)[O-] ZINC000818627241 969192549 /nfs/dbraw/zinc/19/25/49/969192549.db2.gz HCOWBRGMGUBKQQ-VIFPVBQESA-N -1 0 331.775 2.852 20 50 EFGDRM CCc1ccc(NNC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000846130807 969251603 /nfs/dbraw/zinc/25/16/03/969251603.db2.gz FHNBORWOIATRMK-IBGZPJMESA-N -1 0 341.411 2.918 20 50 EFGDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NNc1ccc(OCc2ccccc2)cc1 ZINC001605815889 972545628 /nfs/dbraw/zinc/54/56/28/972545628.db2.gz WZNZTVQQYUPPMV-DLBZAZTESA-N -1 0 340.379 2.820 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1cc2ccccc2cc1F ZINC001605820744 972547831 /nfs/dbraw/zinc/54/78/31/972547831.db2.gz BCKMZOVYWKOQEW-UHFFFAOYSA-N -1 0 325.299 2.829 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(Cl)c(F)cc1Cl ZINC001605820823 972548536 /nfs/dbraw/zinc/54/85/36/972548536.db2.gz GLMIIYIYXNCFJE-UHFFFAOYSA-N -1 0 344.129 2.983 20 50 EFGDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NNc1ccc(OCC(F)(F)F)cc1 ZINC001603321616 972643907 /nfs/dbraw/zinc/64/39/07/972643907.db2.gz VSYVIEXOLFQZGI-CQSZACIVSA-N -1 0 346.305 2.572 20 50 EFGDRM O=C([O-])[C@H](C(=O)NNc1ccc(Cl)cc1Br)C1CC1 ZINC001605898645 972715155 /nfs/dbraw/zinc/71/51/55/972715155.db2.gz YYKWTEUHGQYZPF-JTQLQIEISA-N -1 0 347.596 2.656 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2cccc(F)c2[N+](=O)[O-])CCCCCC1 ZINC001605935468 972874337 /nfs/dbraw/zinc/87/43/37/972874337.db2.gz JXYAZGSQLFRVLT-UHFFFAOYSA-N -1 0 339.323 2.602 20 50 EFGDRM Cc1cc(NNC(=O)CCCCC(=O)[O-])ccc1Br ZINC001605213572 972959085 /nfs/dbraw/zinc/95/90/85/972959085.db2.gz VMGAJENJQGOVKC-UHFFFAOYSA-N -1 0 329.194 2.846 20 50 EFGDRM Cc1ccc(C(C)C)c(OCC(=O)NN=c2[nH]cccc2C(=O)[O-])c1 ZINC001605255886 973021191 /nfs/dbraw/zinc/02/11/91/973021191.db2.gz ASTVQAWNUSYGGB-UHFFFAOYSA-N -1 0 343.383 2.734 20 50 EFGDRM Cc1ccc(SCC(=O)NN=c2[nH]cccc2C(=O)[O-])c(C)c1 ZINC001605307373 973126378 /nfs/dbraw/zinc/12/63/78/973126378.db2.gz YCYXHWCVPAPBAM-UHFFFAOYSA-N -1 0 331.397 2.632 20 50 EFGDRM Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001605321920 973160851 /nfs/dbraw/zinc/16/08/51/973160851.db2.gz OYOHZZIDBOEZMR-KGLIPLIRSA-N -1 0 334.416 2.831 20 50 EFGDRM O=C([O-])C=Cc1cc(C(=O)NNc2cc(Cl)nc(Cl)c2)co1 ZINC001606065426 973209103 /nfs/dbraw/zinc/20/91/03/973209103.db2.gz ZSRXLPXXBYHMRM-OWOJBTEDSA-N -1 0 342.138 2.836 20 50 EFGDRM Cc1cccc(NC(=S)NNC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC001605344943 973233951 /nfs/dbraw/zinc/23/39/51/973233951.db2.gz HMCXKDAVQLCUGI-UHFFFAOYSA-N -1 0 349.456 2.738 20 50 EFGDRM Cc1c(C(=O)NNc2ncccc2C(=O)[O-])sc2nccc(C)c12 ZINC001605365031 973297745 /nfs/dbraw/zinc/29/77/45/973297745.db2.gz CLDJALDVBHOWHL-UHFFFAOYSA-N -1 0 342.380 2.763 20 50 EFGDRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NNc2cccc(Cl)c2Cl)CO1 ZINC001606112926 973335498 /nfs/dbraw/zinc/33/54/98/973335498.db2.gz ZEFQLGQTPUDDGO-BDAKNGLRSA-N -1 0 347.198 2.706 20 50 EFGDRM Cc1nc2ccccc2c(C)c1C(=O)NNc1ncccc1C(=O)[O-] ZINC001605416440 973425830 /nfs/dbraw/zinc/42/58/30/973425830.db2.gz OUHWDQWRHGEBDT-UHFFFAOYSA-N -1 0 336.351 2.702 20 50 EFGDRM CC[C@@H](Oc1ccccc1Cl)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001603593518 973804050 /nfs/dbraw/zinc/80/40/50/973804050.db2.gz IGXIJYKJRZRZOI-GFCCVEGCSA-N -1 0 349.774 2.734 20 50 EFGDRM O=C([O-])c1cccc(CNS(=O)(=O)c2ccc(CCl)cc2)c1 ZINC001606517820 974014865 /nfs/dbraw/zinc/01/48/65/974014865.db2.gz MBPOKYDLFJLAQN-UHFFFAOYSA-N -1 0 339.800 2.602 20 50 EFGDRM CCCN(NC(=O)c1cc(C)cc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC001603672537 974049919 /nfs/dbraw/zinc/04/99/19/974049919.db2.gz JSIGTKOGCUGKRX-UHFFFAOYSA-N -1 0 336.388 2.985 20 50 EFGDRM O=C([O-])c1ccc(/C=C/C(=O)NNc2ccc(OC(F)F)cc2)o1 ZINC001605659622 974051365 /nfs/dbraw/zinc/05/13/65/974051365.db2.gz GUJFYWDADZMBJF-SOFGYWHQSA-N -1 0 338.266 2.736 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC001605669528 974074780 /nfs/dbraw/zinc/07/47/80/974074780.db2.gz IURALEPDQFFMHW-OAHLLOKOSA-N -1 0 341.367 2.512 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)C[C@H]1CCCc2ccccc21 ZINC001605670829 974084788 /nfs/dbraw/zinc/08/47/88/974084788.db2.gz WZVKTUWXAXKKAM-CYBMUJFWSA-N -1 0 325.368 2.733 20 50 EFGDRM C[C@H](Oc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1)C(=O)[O-] ZINC000491164165 974256592 /nfs/dbraw/zinc/25/65/92/974256592.db2.gz ZMYPTISIYLQXSW-MJWAUXSNSA-N -1 0 343.364 2.541 20 50 EFGDRM CCOc1cc(C)ccc1NC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001603856869 974355870 /nfs/dbraw/zinc/35/58/70/974355870.db2.gz FPRRMGPIANXTQP-UHFFFAOYSA-N -1 0 330.344 2.636 20 50 EFGDRM CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001591923760 976402107 /nfs/dbraw/zinc/40/21/07/976402107.db2.gz SHHBKNCYQWTVQD-VHSXEESVSA-N -1 0 340.811 2.588 20 50 EFGDRM CC(C)c1ccc(NNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001591973568 976577425 /nfs/dbraw/zinc/57/74/25/976577425.db2.gz AYNXPHUULYRTDV-CLWVCHIJSA-N -1 0 331.416 2.935 20 50 EFGDRM C[C@@H](CC(=O)NNc1ccccc1C(=O)[O-])C(=O)c1ccccc1 ZINC001592252605 977482867 /nfs/dbraw/zinc/48/28/67/977482867.db2.gz NYDJZHOQQKMPLS-LBPRGKRZSA-N -1 0 326.352 2.737 20 50 EFGDRM C[C@@H](CC(=O)[O-])CC(=O)NN=c1[nH]c2ccc(Cl)cc2s1 ZINC001592391101 977934213 /nfs/dbraw/zinc/93/42/13/977934213.db2.gz AZEHBDLLTMSDKZ-SSDOTTSWSA-N -1 0 327.793 2.894 20 50 EFGDRM CC(CC(C)(C)CC(=O)[O-])=NNC(=O)Cn1c(C)nc2ccccc21 ZINC001592443791 978099669 /nfs/dbraw/zinc/09/96/69/978099669.db2.gz FDMAYYRHCDPZIC-UHFFFAOYSA-N -1 0 344.415 2.728 20 50 EFGDRM C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=CC[C@H](C)C(=O)[O-] ZINC001592463715 978191695 /nfs/dbraw/zinc/19/16/95/978191695.db2.gz HVNJGLHAXOZWQH-QWHCGFSZSA-N -1 0 328.368 2.820 20 50 EFGDRM CC(CCC(=O)[O-])=NNC(=O)CSc1nc2ccccc2s1 ZINC001592469984 978216395 /nfs/dbraw/zinc/21/63/95/978216395.db2.gz DFNPKLBFZMAMHI-UHFFFAOYSA-N -1 0 337.426 2.745 20 50 EFGDRM CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)[O-] ZINC000736257367 978314680 /nfs/dbraw/zinc/31/46/80/978314680.db2.gz UJHUHBOZMLRZDA-ZDUSSCGKSA-N -1 0 347.864 2.636 20 50 EFGDRM CC(C)CCO[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736432051 978335074 /nfs/dbraw/zinc/33/50/74/978335074.db2.gz PPLPRXAJYKWSCE-SNVBAGLBSA-N -1 0 325.317 2.650 20 50 EFGDRM C[C@H]1CCCC[C@H]1OCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736786957 978356045 /nfs/dbraw/zinc/35/60/45/978356045.db2.gz XKOLKHXZELQMSR-IINYFYTJSA-N -1 0 337.328 2.794 20 50 EFGDRM CC[C@H](C(=O)NNC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000736849195 978362392 /nfs/dbraw/zinc/36/23/92/978362392.db2.gz PRYYWDSEUVMYSS-HNNXBMFYSA-N -1 0 341.367 2.731 20 50 EFGDRM CCCc1ncc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)s1 ZINC000737047435 978375169 /nfs/dbraw/zinc/37/51/69/978375169.db2.gz XPNLOSOXUFKUNT-UHFFFAOYSA-N -1 0 336.325 2.921 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)CC(=O)[O-])c1C ZINC000737050743 978376168 /nfs/dbraw/zinc/37/61/68/978376168.db2.gz OFFJQNAWNQEPEP-DHDCSXOGSA-N -1 0 331.416 2.791 20 50 EFGDRM CCc1[nH]c(C(=O)NNC(=O)CCC2CCCCC2)c(C)c1C(=O)[O-] ZINC000737245178 978391258 /nfs/dbraw/zinc/39/12/58/978391258.db2.gz XKQMKBGPVBZTKC-UHFFFAOYSA-N -1 0 349.431 2.705 20 50 EFGDRM CN(C)c1ccc(NC(=O)NN=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000737374936 978400966 /nfs/dbraw/zinc/40/09/66/978400966.db2.gz CRSYMWPZWZWNHN-UHFFFAOYSA-N -1 0 326.356 2.606 20 50 EFGDRM CN(CCCC(=O)NN=C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000737426217 978406309 /nfs/dbraw/zinc/40/63/09/978406309.db2.gz AATWQPVFGYSOBW-UHFFFAOYSA-N -1 0 339.395 2.945 20 50 EFGDRM Cc1[nH]c(C(=O)NNc2cccc(C(F)(F)F)n2)c(C)c1C(=O)[O-] ZINC000738155110 978487473 /nfs/dbraw/zinc/48/74/73/978487473.db2.gz BLYLTNOMBOIPGW-UHFFFAOYSA-N -1 0 342.277 2.500 20 50 EFGDRM Cc1[nH]c(C(=O)NNc2ncccc2C(F)(F)F)c(C)c1C(=O)[O-] ZINC000738156980 978488709 /nfs/dbraw/zinc/48/87/09/978488709.db2.gz NYDNKZYWRDKQAY-UHFFFAOYSA-N -1 0 342.277 2.500 20 50 EFGDRM Cn1cccc1C(=O)NN=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000738406029 978535109 /nfs/dbraw/zinc/53/51/09/978535109.db2.gz DRNGJRNVCJXLCK-UHFFFAOYSA-N -1 0 337.335 2.747 20 50 EFGDRM Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000738923476 978609574 /nfs/dbraw/zinc/60/95/74/978609574.db2.gz WMXRCMRTYJYYFN-ZDUSSCGKSA-N -1 0 347.802 2.567 20 50 EFGDRM O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739234885 978622587 /nfs/dbraw/zinc/62/25/87/978622587.db2.gz ZQDAMJZSKHYROY-VXGBXAGGSA-N -1 0 332.491 2.959 20 50 EFGDRM O=C([O-])c1ccc(O)c(C=NNC(=O)CCCc2ccccc2)c1 ZINC000739235877 978623022 /nfs/dbraw/zinc/62/30/22/978623022.db2.gz LYEZVWDAFSAVJO-UHFFFAOYSA-N -1 0 326.352 2.563 20 50 EFGDRM O=C([O-])[C@@H](NNC(=O)CCCc1ccccc1)c1ccc(F)cc1 ZINC000739237327 978623167 /nfs/dbraw/zinc/62/31/67/978623167.db2.gz VBEOWVUCTRTOFU-KRWDZBQOSA-N -1 0 330.359 2.595 20 50 EFGDRM O=C([O-])c1ccc(C=NNC(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000739453256 978637276 /nfs/dbraw/zinc/63/72/76/978637276.db2.gz DTZHKMZCGYECSM-UHFFFAOYSA-N -1 0 326.230 2.761 20 50 EFGDRM O=C([O-])CCCOc1ccc(CNC(=O)NNc2ccccc2)cc1 ZINC000739685268 978649251 /nfs/dbraw/zinc/64/92/51/978649251.db2.gz AYWWMNUKPSXARM-UHFFFAOYSA-N -1 0 343.383 2.757 20 50 EFGDRM O=C([O-])NNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000740003487 978662653 /nfs/dbraw/zinc/66/26/53/978662653.db2.gz QVZFUFQKNYTKCG-UHFFFAOYSA-N -1 0 332.272 2.691 20 50 EFGDRM O=C([O-])c1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)[nH]1 ZINC000749814822 978690016 /nfs/dbraw/zinc/69/00/16/978690016.db2.gz GNSLRYIUXSGREA-UHFFFAOYSA-N -1 0 326.139 2.784 20 50 EFGDRM Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)c1 ZINC000749813408 978690045 /nfs/dbraw/zinc/69/00/45/978690045.db2.gz ZNHOIQHSSIPYCP-UHFFFAOYSA-N -1 0 343.383 2.674 20 50 EFGDRM Cc1ccccc1C(=O)NN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794881085 978825896 /nfs/dbraw/zinc/82/58/96/978825896.db2.gz WIHYTMJJTZHFKS-CYBMUJFWSA-N -1 0 326.352 2.611 20 50 EFGDRM CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1cc(C(=O)[O-])cs1 ZINC000814684167 978871854 /nfs/dbraw/zinc/87/18/54/978871854.db2.gz GOTJRHKRXDVTJA-UHFFFAOYSA-N -1 0 333.325 2.509 20 50 EFGDRM C[C@H]1C(=NNC(=O)COc2ccc(Cl)cc2)CC[C@@H]1CC(=O)[O-] ZINC000814723951 978876897 /nfs/dbraw/zinc/87/68/97/978876897.db2.gz YGAXDJZJSIZAEQ-GHMZBOCLSA-N -1 0 338.791 2.712 20 50 EFGDRM C[C@H](Oc1ccccc1F)C(=O)NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000814746405 978879545 /nfs/dbraw/zinc/87/95/45/978879545.db2.gz GENNZSAOKAZDGW-SDDRHHMPSA-N -1 0 336.363 2.586 20 50 EFGDRM O=C([O-])c1cc(C=NNC(=O)c2cc3c(s2)CCCCC3)c[nH]1 ZINC000814767842 978883343 /nfs/dbraw/zinc/88/33/43/978883343.db2.gz XRRMSRDIDKLLQN-UHFFFAOYSA-N -1 0 331.397 2.807 20 50 EFGDRM COc1ccc(CCC(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1 ZINC000814814394 978888356 /nfs/dbraw/zinc/88/83/56/978888356.db2.gz JPWMJRWUHACYMW-OCCSQVGLSA-N -1 0 332.400 2.621 20 50 EFGDRM C[C@H]1C(=NNC(=O)Cn2ccc3ccccc32)CC[C@H]1CC(=O)[O-] ZINC000814839053 978891793 /nfs/dbraw/zinc/89/17/93/978891793.db2.gz JKKAXJKQXALKAR-OCCSQVGLSA-N -1 0 327.384 2.634 20 50 EFGDRM C[C@@H]1C(=NNC(=O)Nc2ccc(N(C)C)cc2)CC[C@H]1CC(=O)[O-] ZINC000814856084 978893126 /nfs/dbraw/zinc/89/31/26/978893126.db2.gz APFQJNSXRZNEQL-RYUDHWBXSA-N -1 0 332.404 2.751 20 50 EFGDRM CC(=NNC(=O)Cc1cn2ccccc2n1)[C@@H](C)CCCCC(=O)[O-] ZINC000814863860 978894704 /nfs/dbraw/zinc/89/47/04/978894704.db2.gz GCOQLPSHVSVURQ-ZDUSSCGKSA-N -1 0 344.415 2.650 20 50 EFGDRM COc1ccc(Cl)c(NC(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)c1 ZINC000814990861 978900052 /nfs/dbraw/zinc/90/00/52/978900052.db2.gz IMZICLGQWLMEJQ-UHFFFAOYSA-N -1 0 336.735 2.531 20 50 EFGDRM C[C@@H]1C(=NNC(=O)Nc2cc(F)cc(F)c2)CC[C@@H]1CC(=O)[O-] ZINC000815006054 978900444 /nfs/dbraw/zinc/90/04/44/978900444.db2.gz HOOKOPTWYPMUPM-DTWKUNHWSA-N -1 0 325.315 2.963 20 50 EFGDRM CCC(CC)(CNC(=O)NNC(=O)CCC1CCCCC1)C(=O)[O-] ZINC000818626807 978921340 /nfs/dbraw/zinc/92/13/40/978921340.db2.gz KACMUBYHVYNSNR-UHFFFAOYSA-N -1 0 341.452 2.568 20 50 EFGDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NNc2cccc(Cl)c2Cl)C1 ZINC000831088709 979027170 /nfs/dbraw/zinc/02/71/70/979027170.db2.gz KFBBIVSVPCKEBS-SFYZADRCSA-N -1 0 332.187 2.873 20 50 EFGDRM C[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001592675210 979087625 /nfs/dbraw/zinc/08/76/25/979087625.db2.gz AZHNMGURQZJHBR-NSHDSACASA-N -1 0 331.347 2.954 20 50 EFGDRM C[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1F)CC(F)(F)F ZINC001592675808 979091087 /nfs/dbraw/zinc/09/10/87/979091087.db2.gz HYDMQLKOWFTJIO-SSDOTTSWSA-N -1 0 337.273 2.739 20 50 EFGDRM CC[C@H](C)n1ncc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)c1C ZINC001595024096 979123946 /nfs/dbraw/zinc/12/39/46/979123946.db2.gz OMWVROQWYOIBHV-JTQLQIEISA-N -1 0 346.387 2.626 20 50 EFGDRM CC[C@@H](C)n1ncc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1C ZINC001595024191 979125424 /nfs/dbraw/zinc/12/54/24/979125424.db2.gz QLMZYKSMFGTIPM-SECBINFHSA-N -1 0 334.351 2.757 20 50 EFGDRM CC[C@@H](C)n1ncc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)c1C1CC1 ZINC001595024634 979130048 /nfs/dbraw/zinc/13/00/48/979130048.db2.gz YPDUYLNVESKVCU-SNVBAGLBSA-N -1 0 343.387 2.582 20 50 EFGDRM C[C@H](COCC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001592768807 979377331 /nfs/dbraw/zinc/37/73/31/979377331.db2.gz HQUIMRCNNAZJAM-CYBMUJFWSA-N -1 0 328.368 2.648 20 50 EFGDRM C[C@H](CSC(F)(F)F)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001592825488 979543491 /nfs/dbraw/zinc/54/34/91/979543491.db2.gz VZFSBBPZYZURJZ-ZCFIWIBFSA-N -1 0 340.298 2.856 20 50 EFGDRM C[C@H](Cc1ccc(F)cc1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001592853086 979641605 /nfs/dbraw/zinc/64/16/05/979641605.db2.gz CSNOWVKXQDPRLV-SNVBAGLBSA-N -1 0 334.322 2.985 20 50 EFGDRM C[C@H](Cc1cccc(F)c1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592886179 979773077 /nfs/dbraw/zinc/77/30/77/979773077.db2.gz YWYURJKVVDHFDA-SNVBAGLBSA-N -1 0 334.322 2.985 20 50 EFGDRM C[C@H](Cc1cccs1)NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592902780 979828428 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CC[C@H](OC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C)C(=O)[O-] ZINC001595331837 980575611 /nfs/dbraw/zinc/57/56/11/980575611.db2.gz LKWMVZRXAHAQJW-RQJQMCRZSA-N -1 0 348.399 2.626 20 50 EFGDRM CC[C@@H](OC1CCCCC1)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595355806 980705938 /nfs/dbraw/zinc/70/59/38/980705938.db2.gz NADQJPPXCCCKPQ-MRXNPFEDSA-N -1 0 334.416 2.885 20 50 EFGDRM CCC1(CC)[C@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)C[C@@H]1OC ZINC001595373535 980874149 /nfs/dbraw/zinc/87/41/49/980874149.db2.gz LAYJNXHRJGNEBG-CABCVRRESA-N -1 0 349.431 2.534 20 50 EFGDRM CCC1(CC)[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@H](C)[C@H]1OC ZINC001595373874 980877766 /nfs/dbraw/zinc/87/77/66/980877766.db2.gz QBMLEVKJENTSEQ-NILFDRSVSA-N -1 0 349.431 2.851 20 50 EFGDRM CCC1(CC)[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@@H](C)[C@H]1OC ZINC001595373873 980878006 /nfs/dbraw/zinc/87/80/06/980878006.db2.gz QBMLEVKJENTSEQ-KCPJHIHWSA-N -1 0 349.431 2.851 20 50 EFGDRM CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001595446602 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CC(C)(CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)CC(=O)[O-] ZINC000910824071 982140145 /nfs/dbraw/zinc/14/01/45/982140145.db2.gz YPSIXHLODNDMOP-IMSIIYSGSA-N -1 0 332.238 2.557 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC000911659726 982589899 /nfs/dbraw/zinc/58/98/99/982589899.db2.gz NPHUHPOSIRUJLN-ZYHUDNBSSA-N -1 0 343.221 2.523 20 50 EFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](C(=O)[O-])C2)c1C ZINC001595802892 982621818 /nfs/dbraw/zinc/62/18/18/982621818.db2.gz MNYLPXMMGHOIDV-ADFUCPMPSA-N -1 0 343.427 2.745 20 50 EFGDRM CCCCn1cc(CNC(=O)NNc2cccc(C(=O)[O-])c2)c(C)n1 ZINC001595805044 982630071 /nfs/dbraw/zinc/63/00/71/982630071.db2.gz NLMXIPNCDSDFCV-UHFFFAOYSA-N -1 0 345.403 2.516 20 50 EFGDRM Cc1ccccc1NC(=O)NN=Cc1ccccc1OCC(=O)[O-] ZINC000915972279 982670640 /nfs/dbraw/zinc/67/06/40/982670640.db2.gz YZEDQODNXVXLQC-UHFFFAOYSA-N -1 0 327.340 2.614 20 50 EFGDRM CCCN(NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001595894385 982928149 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CCOC(=O)C(C#N)=CN[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001596509576 984272027 /nfs/dbraw/zinc/27/20/27/984272027.db2.gz QJGDWHYSSJLKGQ-MUECIFGUSA-N -1 0 342.395 2.510 20 50 EFGDRM C=CCOc1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001588873688 984445254 /nfs/dbraw/zinc/44/52/54/984445254.db2.gz HOWKKXRGJBEDQF-UHFFFAOYSA-N -1 0 341.367 2.776 20 50 EFGDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)S(=O)(=O)CC(C)(C)CCl ZINC001599888863 984670642 /nfs/dbraw/zinc/67/06/42/984670642.db2.gz YHVMLXXTCHHIMN-GFCCVEGCSA-N -1 0 347.864 2.557 20 50 EFGDRM CCO[C@@H](C)c1ncc(C(=O)NNc2ccc(CC(=O)[O-])cc2)s1 ZINC001596775261 985206613 /nfs/dbraw/zinc/20/66/13/985206613.db2.gz BQRCANINVQLYNL-JTQLQIEISA-N -1 0 349.412 2.625 20 50 EFGDRM CC(=O)Nc1ccc(C)c(C(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001589188548 985583548 /nfs/dbraw/zinc/58/35/48/985583548.db2.gz XKLKVOPAUKEBFO-UHFFFAOYSA-N -1 0 345.330 2.548 20 50 EFGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNc1cccc2c1CCCC2 ZINC001599957113 985706738 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C[C@@H]1Cc2cccc(C(=O)NNc3ccc(F)c(C(=O)[O-])c3)c2O1 ZINC001594621924 986664327 /nfs/dbraw/zinc/66/43/27/986664327.db2.gz YQVGBDVHNOTHEL-SECBINFHSA-N -1 0 330.315 2.604 20 50 EFGDRM C[C@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1F ZINC001589424368 986691254 /nfs/dbraw/zinc/69/12/54/986691254.db2.gz UNGLLQFEHSYEKK-JTQLQIEISA-N -1 0 334.322 2.839 20 50 EFGDRM CCOc1ccc(CCC(=O)NNc2cccc(F)c2C(=O)[O-])cc1 ZINC001597095976 986699917 /nfs/dbraw/zinc/69/99/17/986699917.db2.gz XRBHZCRWQZQSST-UHFFFAOYSA-N -1 0 346.358 2.999 20 50 EFGDRM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001594650284 986868694 /nfs/dbraw/zinc/86/86/94/986868694.db2.gz BJJQUPLPYQEXIP-VFZGTOFNSA-N -1 0 345.330 2.672 20 50 EFGDRM CCOc1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2C)c1 ZINC001597155513 986949345 /nfs/dbraw/zinc/94/93/45/986949345.db2.gz NIJAAZDFTMQUNN-UHFFFAOYSA-N -1 0 343.383 2.918 20 50 EFGDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@]2(C)C[C@H]2Br)cc1 ZINC001589502672 987105523 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CC(C)(C)C(F)(F)CNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001589711710 987839844 /nfs/dbraw/zinc/83/98/44/987839844.db2.gz FVOHVSZYNREGLA-UHFFFAOYSA-N -1 0 333.310 2.831 20 50 EFGDRM CS[C@H]1CCC[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2C)C1 ZINC001599789119 987976834 /nfs/dbraw/zinc/97/68/34/987976834.db2.gz PZIRTLCNVFNTLZ-RYUDHWBXSA-N -1 0 337.445 2.994 20 50 EFGDRM CS[C@@H]1CCC[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2C)C1 ZINC001599789120 987977182 /nfs/dbraw/zinc/97/71/82/987977182.db2.gz PZIRTLCNVFNTLZ-VXGBXAGGSA-N -1 0 337.445 2.994 20 50 EFGDRM CCc1cccc(C)c1NC(=S)NNC(=O)CCCCC(=O)[O-] ZINC001597581282 988387375 /nfs/dbraw/zinc/38/73/75/988387375.db2.gz USZMLGXRGPCXJR-UHFFFAOYSA-N -1 0 337.445 2.520 20 50 EFGDRM CCc1cccc(CNC(=O)NNc2ccc(CC(=O)[O-])cc2)c1 ZINC001597586733 988404845 /nfs/dbraw/zinc/40/48/45/988404845.db2.gz JCNOTVIHYWIZKM-UHFFFAOYSA-N -1 0 327.384 2.702 20 50 EFGDRM CSc1cccnc1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599825812 988596447 /nfs/dbraw/zinc/59/64/47/988596447.db2.gz 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COc1ccc(C)cc1CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833730606 605741976 /nfs/dbraw/zinc/74/19/76/605741976.db2.gz JIYWYOVPTFSDSG-UHFFFAOYSA-N -1 0 329.356 2.528 20 50 EFGDRM Cc1cccc(C)c1OCCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833752130 605742406 /nfs/dbraw/zinc/74/24/06/605742406.db2.gz AFYQKBIMWBEIFO-UHFFFAOYSA-N -1 0 343.383 2.707 20 50 EFGDRM CC(C)n1cc([C@@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2)cn1 ZINC000833522184 605743975 /nfs/dbraw/zinc/74/39/75/605743975.db2.gz YCRKYGFSSFGSPZ-LLVKDONJSA-N -1 0 331.376 2.550 20 50 EFGDRM CC(C)(C)n1ccnc1SCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833452137 605774072 /nfs/dbraw/zinc/77/40/72/605774072.db2.gz NHGUULUCKJMPLG-UHFFFAOYSA-N -1 0 348.428 2.572 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000272561575 1424757241 /nfs/dbraw/zinc/75/72/41/1424757241.db2.gz ABUVWZRTPLPMPB-SNVBAGLBSA-N -1 0 338.209 2.615 20 50 EFGDRM CCCCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821056832 1428363887 /nfs/dbraw/zinc/36/38/87/1428363887.db2.gz 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COc1ccccc1C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821882435 1424486424 /nfs/dbraw/zinc/48/64/24/1424486424.db2.gz ALVAFTCWSGDFBI-POHAHGRESA-N -1 0 337.364 2.727 20 50 EFGDRM CC(=NNC(=O)C(C)(C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000735449165 1424859302 /nfs/dbraw/zinc/85/93/02/1424859302.db2.gz WXNGBOSYQWZQPW-UHFFFAOYSA-N -1 0 348.410 2.685 20 50 EFGDRM O=C(NNc1cccc2c1CCCC2)c1cc(-c2nn[n-]n2)cs1 ZINC000826449170 1425126109 /nfs/dbraw/zinc/12/61/09/1425126109.db2.gz FKBKVPLYEYZEEU-UHFFFAOYSA-N -1 0 340.412 2.564 20 50 EFGDRM CC(C)(Cc1ccccc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824163042 1425395105 /nfs/dbraw/zinc/39/51/05/1425395105.db2.gz WYGBVDWUYFVYMV-UHFFFAOYSA-N -1 0 336.399 2.579 20 50 EFGDRM O=C(NN=C(Cc1ccccc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129569 1425650333 /nfs/dbraw/zinc/65/03/33/1425650333.db2.gz VHKDAYGRHGRPRN-UHFFFAOYSA-N -1 0 346.394 2.605 20 50 EFGDRM CC(C=NNC(=O)c1cccc(-c2nn[n-]n2)c1)=Cc1ccccc1 ZINC000735963519 1425661017 /nfs/dbraw/zinc/66/10/17/1425661017.db2.gz GHQQUNSKVZPCPI-SOLKCNCLSA-N -1 0 332.367 2.686 20 50 EFGDRM CC1(C)CCC(C(=O)NNc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC000824795924 1425920783 /nfs/dbraw/zinc/92/07/83/1425920783.db2.gz JAXSVVAKGGFIJE-UHFFFAOYSA-N -1 0 349.826 2.575 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000826447268 1426197341 /nfs/dbraw/zinc/19/73/41/1426197341.db2.gz XMWSBMYBZKSCFZ-UHFFFAOYSA-N -1 0 348.288 2.642 20 50 EFGDRM CC(=Cc1ccc(C)cc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823942328 1426202482 /nfs/dbraw/zinc/20/24/82/1426202482.db2.gz BFKNCCBHABJVNI-ACCUITESSA-N -1 0 334.383 2.722 20 50 EFGDRM CCCC(CCC)C(=O)NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825242139 1426450017 /nfs/dbraw/zinc/45/00/17/1426450017.db2.gz JFQAIXPQBLQFAJ-UHFFFAOYSA-N -1 0 337.815 2.575 20 50 EFGDRM C[C@@H](C=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824385115 1426631384 /nfs/dbraw/zinc/63/13/84/1426631384.db2.gz LYXRIWHAKRWMGT-NSHDSACASA-N -1 0 338.346 2.525 20 50 EFGDRM CC[C@H](C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736311965 1426802074 /nfs/dbraw/zinc/80/20/74/1426802074.db2.gz CZIFOVIWTRMYSU-KRWDZBQOSA-N -1 0 348.410 2.901 20 50 EFGDRM Cc1ccccc1[C@H](C)CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826306458 1426992158 /nfs/dbraw/zinc/99/21/58/1426992158.db2.gz ZMLAPVNBRITNRC-CYBMUJFWSA-N -1 0 336.399 2.812 20 50 EFGDRM CCCC[C@@H](CC)C(=O)NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825260452 1427851157 /nfs/dbraw/zinc/85/11/57/1427851157.db2.gz PLGGHMHIJWUCTF-SECBINFHSA-N -1 0 337.815 2.575 20 50 EFGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(c2ccccc2)CCCC1 ZINC000826447733 1428021489 /nfs/dbraw/zinc/02/14/89/1428021489.db2.gz TWFPVLSYEKNLLH-UHFFFAOYSA-N -1 0 348.410 2.822 20 50 EFGDRM C[C@H]1CCC[C@@H](CCNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736247338 1429981198 /nfs/dbraw/zinc/98/11/98/1429981198.db2.gz BQHKROGLLJBQPJ-STQMWFEESA-N -1 0 343.435 2.709 20 50 EFGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1ccc(F)cc1 ZINC000822796220 1430055837 /nfs/dbraw/zinc/05/58/37/1430055837.db2.gz NCWPXYFJRLEZFV-JXMROGBWSA-N -1 0 325.328 2.857 20 50 EFGDRM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000824039620 1430154177 /nfs/dbraw/zinc/15/41/77/1430154177.db2.gz GACIQEHISGUVKE-JTQLQIEISA-N -1 0 342.790 2.767 20 50 EFGDRM O=C(NN=C1CC[C@H]2CCCC[C@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738128673 1430176468 /nfs/dbraw/zinc/17/64/68/1430176468.db2.gz GOPCNPLIZLBUJX-OLZOCXBDSA-N -1 0 338.415 2.943 20 50 EFGDRM C[C@H](C=NNC(=O)c1cccc(-c2nn[n-]n2)c1)CCc1ccccc1 ZINC000820220187 1441567014 /nfs/dbraw/zinc/56/70/14/1441567014.db2.gz OKPZRBDIKVWWCV-AWEZNQCLSA-N -1 0 348.410 2.851 20 50 EFGDRM N#CC(=Cc1ccc(F)c(F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379659 1441653505 /nfs/dbraw/zinc/65/35/05/1441653505.db2.gz YGFVOVOHQHURRJ-MLPAPPSSSA-N -1 0 337.289 2.935 20 50 EFGDRM CC(Cc1ccccc1C)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820300341 1441691793 /nfs/dbraw/zinc/69/17/93/1441691793.db2.gz PXQIAJDYSLKKKA-UHFFFAOYSA-N -1 0 334.383 2.524 20 50 EFGDRM CC(C)(C)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824136241 1441834794 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O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2sccc2c1 ZINC000826447073 1443298266 /nfs/dbraw/zinc/29/82/66/1443298266.db2.gz LTBAVXSUMXHHTF-UHFFFAOYSA-N -1 0 336.380 2.838 20 50 EFGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)c1cc2ccccc2o1 ZINC000822795622 1443308916 /nfs/dbraw/zinc/30/89/16/1443308916.db2.gz DFVIXPWCXFSLKP-YRNVUSSQSA-N -1 0 331.291 2.996 20 50 EFGDRM CCCCCCNC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825272136 1443340809 /nfs/dbraw/zinc/34/08/09/1443340809.db2.gz WCIHNUOGOSTIMN-LCYFTJDESA-N -1 0 342.378 2.609 20 50 EFGDRM Cc1cccc2cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)oc21 ZINC000826305056 1443595395 /nfs/dbraw/zinc/59/53/95/1443595395.db2.gz IXQOXQFVHVOBMQ-UHFFFAOYSA-N -1 0 334.339 2.678 20 50 EFGDRM COCc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826164357 1443722121 /nfs/dbraw/zinc/72/21/21/1443722121.db2.gz TYMCADRDKNXNNO-MFOYZWKCSA-N -1 0 345.362 2.803 20 50 EFGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1cccc(C#N)c1 ZINC000826378985 1444030885 /nfs/dbraw/zinc/03/08/85/1444030885.db2.gz GJSJWKURXKWGJP-GHXNOFRVSA-N -1 0 332.348 2.590 20 50 EFGDRM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822323994 1446500810 /nfs/dbraw/zinc/50/08/10/1446500810.db2.gz RTHYMYFKRBBEHF-FLIBITNWSA-N -1 0 336.380 2.782 20 50 EFGDRM O=C(Cc1cccc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423257 1446608313 /nfs/dbraw/zinc/60/83/13/1446608313.db2.gz GGAFDLBOWHEFTF-UHFFFAOYSA-N -1 0 344.378 2.706 20 50 EFGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(C#N)c1 ZINC000826379264 1446829540 /nfs/dbraw/zinc/82/95/40/1446829540.db2.gz NMEJNTGUJKSKQU-PXNMLYILSA-N -1 0 326.319 2.528 20 50 EFGDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1cccc2c1CCCC2 ZINC000826249390 1446925201 /nfs/dbraw/zinc/92/52/01/1446925201.db2.gz ABXJFKJKFIFRPJ-UHFFFAOYSA-N -1 0 348.410 2.811 20 50 EFGDRM C[C@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000824385284 1446969811 /nfs/dbraw/zinc/96/98/11/1446969811.db2.gz PMTZNWXBTILURE-GFCCVEGCSA-N -1 0 328.420 2.916 20 50 EFGDRM Cc1ccc2[nH]c(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2c1C 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ZINC001600266703 970787184 /nfs/dbraw/zinc/78/71/84/970787184.db2.gz HBXSDOFWOLQXSS-RISCZKNCSA-N -1 0 341.205 2.988 20 50 EFGDRM Cc1cc(NC(=O)NC[C@]2(C)C[C@@H]2Br)ccc1C(=O)[O-] ZINC001600266702 970787475 /nfs/dbraw/zinc/78/74/75/970787475.db2.gz HBXSDOFWOLQXSS-FZMZJTMJSA-N -1 0 341.205 2.988 20 50 EFGDRM Cc1cc(NC(=O)NC[C@@]2(C)C[C@H]2Br)ccc1C(=O)[O-] ZINC001600266701 970788012 /nfs/dbraw/zinc/78/80/12/970788012.db2.gz HBXSDOFWOLQXSS-BXUZGUMPSA-N -1 0 341.205 2.988 20 50 EFGDRM O=C([O-])c1ccccc1OS(=O)(=O)c1ccc(CCCl)cc1 ZINC001595259959 949649525 /nfs/dbraw/zinc/64/95/25/949649525.db2.gz LILVZJNLTKVNTJ-UHFFFAOYSA-N -1 0 340.784 2.934 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1cccc2c1CCCCC2 ZINC001595262197 949682186 /nfs/dbraw/zinc/68/21/86/949682186.db2.gz UNISQDWCNSTSNN-UHFFFAOYSA-N -1 0 325.368 2.806 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1nc2ccccc2cc1C1CC1 ZINC001595262280 949684660 /nfs/dbraw/zinc/68/46/60/949684660.db2.gz WURIDCLHDQRIPQ-UHFFFAOYSA-N -1 0 348.362 2.962 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](CC)C(=O)[O-])c1C ZINC001589694308 950149756 /nfs/dbraw/zinc/14/97/56/950149756.db2.gz CHHWNSHOCWUYCK-BRYYZUPOSA-N -1 0 331.416 2.649 20 50 EFGDRM O=C([O-])CC1(C(=O)NNc2ccc(Br)cc2F)CCC1 ZINC001594976175 950913320 /nfs/dbraw/zinc/91/33/20/950913320.db2.gz CGJCJHNCDMWALQ-UHFFFAOYSA-N -1 0 345.168 2.676 20 50 EFGDRM O=C([O-])COc1cccc(C(=O)NNc2ccc(F)c(Cl)c2)c1 ZINC001595122690 951980474 /nfs/dbraw/zinc/98/04/74/951980474.db2.gz SUMDICAYOIQCEC-UHFFFAOYSA-N -1 0 338.722 2.699 20 50 EFGDRM O=C([O-])COc1cccc(C(=O)NNc2cccc3c2CCCC3)c1 ZINC001595123214 951983037 /nfs/dbraw/zinc/98/30/37/951983037.db2.gz IYZWSZZOCNVZIW-UHFFFAOYSA-N -1 0 340.379 2.786 20 50 EFGDRM O=C([O-])Cn1cccc1C=NNC(=O)c1ccc(Cl)cc1Cl ZINC001595158849 952184986 /nfs/dbraw/zinc/18/49/86/952184986.db2.gz XYHLZDLAASXEFY-UHFFFAOYSA-N -1 0 340.166 2.643 20 50 EFGDRM O=C([O-])c1cccc(NC(=O)NN=c2[nH]c3cccnc3s2)c1 ZINC001594781988 953640279 /nfs/dbraw/zinc/64/02/79/953640279.db2.gz NAPNPRYHABUGGF-UHFFFAOYSA-N -1 0 329.341 2.538 20 50 EFGDRM O=C([O-])c1ccc(NC(=O)NNc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001594782242 953642770 /nfs/dbraw/zinc/64/27/70/953642770.db2.gz UJOCKCPTJUGRFT-UHFFFAOYSA-N -1 0 334.263 2.581 20 50 EFGDRM O=C([O-])[C@H](C(=O)NNc1ccc(Br)cc1)C1CCCC1 ZINC001594835839 954026233 /nfs/dbraw/zinc/02/62/33/954026233.db2.gz MBHOTHILFVADJU-LBPRGKRZSA-N -1 0 341.205 2.783 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2cc(F)cc(F)c2F)CCCCCC1 ZINC001594864848 954313475 /nfs/dbraw/zinc/31/34/75/954313475.db2.gz PCKMWQKFEUBOAF-UHFFFAOYSA-N -1 0 330.306 2.972 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2cc(Cl)ccc2Br)CCC1 ZINC001594865046 954314438 /nfs/dbraw/zinc/31/44/38/954314438.db2.gz SQJZVMULTMOLAO-UHFFFAOYSA-N -1 0 347.596 2.801 20 50 EFGDRM CC[C@H](C)c1ccccc1OCC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589464643 954891096 /nfs/dbraw/zinc/89/10/96/954891096.db2.gz HVXYRLOUPPKRAM-LBPRGKRZSA-N -1 0 343.383 2.815 20 50 EFGDRM CCC(CC)(C(=O)[O-])C(=O)NNC(=O)Nc1ccc(C)cc1Cl ZINC001589476081 954959932 /nfs/dbraw/zinc/95/99/32/954959932.db2.gz WFVRIVSDLNKWHY-UHFFFAOYSA-N -1 0 341.795 2.692 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1C ZINC000737050077 955218368 /nfs/dbraw/zinc/21/83/68/955218368.db2.gz IEOLGHKQEFFZTP-GFQQVXNGSA-N -1 0 331.416 2.601 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC2(C(=O)[O-])CCC2)c1C ZINC000737837986 955227570 /nfs/dbraw/zinc/22/75/70/955227570.db2.gz VFUMQOJZEQVRBV-YBEGLDIGSA-N -1 0 343.427 2.793 20 50 EFGDRM O=C([O-])Cn1ccc(NC(=O)CCCC[C@@H]2CCSS2)n1 ZINC000739915370 955256012 /nfs/dbraw/zinc/25/60/12/955256012.db2.gz LDKWIFDOOYWPDW-SNVBAGLBSA-N -1 0 329.447 2.620 20 50 EFGDRM O=C([O-])c1cccc(C(=O)NNC(=O)c2cccc3ccccc32)c1 ZINC000740214986 955257828 /nfs/dbraw/zinc/25/78/28/955257828.db2.gz CJTQROMVPBXZHS-UHFFFAOYSA-N -1 0 334.331 2.613 20 50 EFGDRM O=C([O-])CSCC(=O)NN(Cc1ccccc1)c1ccccc1 ZINC000740485527 955261746 /nfs/dbraw/zinc/26/17/46/955261746.db2.gz USYLIJCSQFOLEM-UHFFFAOYSA-N -1 0 330.409 2.542 20 50 EFGDRM Cc1ccc(NC(=S)NNC(=O)c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000821093300 955489875 /nfs/dbraw/zinc/48/98/75/955489875.db2.gz MMTWIDHXDAIAQD-UHFFFAOYSA-N -1 0 343.408 2.633 20 50 EFGDRM O=C([O-])c1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000821549646 955518883 /nfs/dbraw/zinc/51/88/83/955518883.db2.gz MUDFFFIOKBHDNJ-UHFFFAOYSA-N -1 0 335.703 2.703 20 50 EFGDRM O=C([O-])c1cccc(C(=O)NNc2cccc(Br)c2)c1 ZINC000821549760 955519347 /nfs/dbraw/zinc/51/93/47/955519347.db2.gz RMNQAZCNDYQXTC-UHFFFAOYSA-N -1 0 335.157 2.904 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000836725131 955561569 /nfs/dbraw/zinc/56/15/69/955561569.db2.gz QJOXCDAANAJXOV-CMPLNLGQSA-N -1 0 334.254 2.899 20 50 EFGDRM Cn1nc(C(=O)[O-])cc1/C=C(/C#N)c1nc2ccccc2n1C(F)F ZINC001594566604 955847392 /nfs/dbraw/zinc/84/73/92/955847392.db2.gz AYOGJPCTCZBQPU-TWGQIWQCSA-N -1 0 343.293 2.927 20 50 EFGDRM Cn1nc(C(=O)[O-])cc1/C=C(\C#N)C(=O)c1c(F)cccc1Cl ZINC001594568845 955860320 /nfs/dbraw/zinc/86/03/20/955860320.db2.gz 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ZINC001594678235 956676684 /nfs/dbraw/zinc/67/66/84/956676684.db2.gz JAYSEHFLVHZWEI-UHFFFAOYSA-N -1 0 345.321 2.982 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CCCc1cc(F)ccc1F ZINC001594685446 956709863 /nfs/dbraw/zinc/70/98/63/956709863.db2.gz OLAOKYZTEJZPMV-UHFFFAOYSA-N -1 0 335.310 2.524 20 50 EFGDRM COc1cc(/C=C(\C#N)C(=O)[O-])ccc1OC(=O)c1cccs1 ZINC000005879789 956874744 /nfs/dbraw/zinc/87/47/44/956874744.db2.gz IDZUXWSPHYFHGB-YRNVUSSQSA-N -1 0 329.333 2.967 20 50 EFGDRM C[C@]1(CNC(=O)Nc2ccccc2C(=O)[O-])C[C@@H]1Br ZINC001589246507 956928569 /nfs/dbraw/zinc/92/85/69/956928569.db2.gz GXNFROHBIOPHIW-GXFFZTMASA-N -1 0 327.178 2.680 20 50 EFGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)c1 ZINC001594288491 957799309 /nfs/dbraw/zinc/79/93/09/957799309.db2.gz SMZPKSMUBFPADW-UHFFFAOYSA-N -1 0 347.758 2.813 20 50 EFGDRM Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(C(=O)[O-])nn2C)c(C)c1 ZINC001594294196 957854742 /nfs/dbraw/zinc/85/47/42/957854742.db2.gz XPKMZJWNDWIJHH-QPEQYQDCSA-N -1 0 338.367 2.589 20 50 EFGDRM COc1ccc2cc(C(=O)NNc3ncccc3C(=O)[O-])sc2c1 ZINC001594117509 958563431 /nfs/dbraw/zinc/56/34/31/958563431.db2.gz HSDKSBIVSSHQEY-UHFFFAOYSA-N -1 0 343.364 2.760 20 50 EFGDRM CC(C)[C@H](C(=O)[O-])C(=O)NNc1ccc(Br)cc1Cl ZINC001573490067 959013066 /nfs/dbraw/zinc/01/30/66/959013066.db2.gz VNCPHCGEFABSIZ-JTQLQIEISA-N -1 0 349.612 2.902 20 50 EFGDRM CSc1ccc(CCC(=O)NN=c2[nH]cccc2C(=O)[O-])cc1 ZINC001594195235 959191992 /nfs/dbraw/zinc/19/19/92/959191992.db2.gz SWKIXXSDOUOIAZ-UHFFFAOYSA-N -1 0 331.397 2.578 20 50 EFGDRM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)CCCCCl)cc1 ZINC000190779631 959522827 /nfs/dbraw/zinc/52/28/27/959522827.db2.gz FGDDDXYLTAANPE-UHFFFAOYSA-N -1 0 333.837 2.810 20 50 EFGDRM CC(C)(C)Cc1ncc(C(=O)NNc2ncccc2C(=O)[O-])s1 ZINC001588658015 960420595 /nfs/dbraw/zinc/42/05/95/960420595.db2.gz KHISKLOHUANLBG-UHFFFAOYSA-N -1 0 334.401 2.582 20 50 EFGDRM CSc1cccc(NC(=O)NN=c2[nH]cccc2C(=O)[O-])c1C ZINC001574257359 960541700 /nfs/dbraw/zinc/54/17/00/960541700.db2.gz HEUPFVRIGNFNMT-UHFFFAOYSA-N -1 0 332.385 2.959 20 50 EFGDRM C[C@H](SCC(=O)NN=C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001603281555 972512894 /nfs/dbraw/zinc/51/28/94/972512894.db2.gz NWFMGRVMJKOCCR-ZDUSSCGKSA-N -1 0 342.420 2.762 20 50 EFGDRM CCC(CC)(CNS(=O)(=O)c1ccc(CCl)cc1)C(=O)[O-] ZINC001573790393 960747576 /nfs/dbraw/zinc/74/75/76/960747576.db2.gz MFBIUGGWYIWRSJ-UHFFFAOYSA-N -1 0 333.837 2.595 20 50 EFGDRM Cc1cc(Br)ccc1NNC(=O)C1(C(=O)[O-])CC=CC1 ZINC001574307576 960750586 /nfs/dbraw/zinc/75/05/86/960750586.db2.gz BOUARVDMOLFDHV-UHFFFAOYSA-N -1 0 339.189 2.622 20 50 EFGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC001588739532 961154328 /nfs/dbraw/zinc/15/43/28/961154328.db2.gz UHVPFXDGSGZOPH-OLZOCXBDSA-N -1 0 327.497 2.720 20 50 EFGDRM Cc1cccc(NNC(=O)c2cccc(OCC(=O)[O-])c2)c1Cl ZINC001574397222 961214117 /nfs/dbraw/zinc/21/41/17/961214117.db2.gz KTYUHPCNYKHLIJ-UHFFFAOYSA-N -1 0 334.759 2.869 20 50 EFGDRM CC(C)[C@@H](C(=O)[O-])C(=O)NN=c1[nH]c2ccc(Cl)cc2s1 ZINC001588808839 961504898 /nfs/dbraw/zinc/50/48/98/961504898.db2.gz ZETVHPGDMOKMPH-SNVBAGLBSA-N -1 0 327.793 2.750 20 50 EFGDRM CC(C)C[C@@H](CNC(=O)NNc1cc(F)cc(Cl)c1)C(=O)[O-] ZINC001588852643 961946051 /nfs/dbraw/zinc/94/60/51/961946051.db2.gz BCSUNUQJNRDREO-VIFPVBQESA-N -1 0 331.775 2.852 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1cccc(C(F)(F)F)c1 ZINC001574578584 962089240 /nfs/dbraw/zinc/08/92/40/962089240.db2.gz JJIJSHXIOMZDNB-UHFFFAOYSA-N -1 0 325.246 2.556 20 50 EFGDRM CC(C)c1c(Cl)ncnc1NNC(=O)NCCCCCC(=O)[O-] ZINC001588963368 962638624 /nfs/dbraw/zinc/63/86/24/962638624.db2.gz QKHFXXSCCHBPRS-UHFFFAOYSA-N -1 0 343.815 2.525 20 50 EFGDRM O=C([O-])CCCNC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1 ZINC001574705043 962691297 /nfs/dbraw/zinc/69/12/97/962691297.db2.gz VJNDPZYSPKSAEX-UHFFFAOYSA-N -1 0 339.701 2.850 20 50 EFGDRM CC(C)C[C@@H](CNC(=O)NNc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000818627974 969192224 /nfs/dbraw/zinc/19/22/24/969192224.db2.gz OAHITHGBTCBYNQ-VIFPVBQESA-N -1 0 331.775 2.852 20 50 EFGDRM CCC(CC)(CNC(=O)NNc1cc(F)c(F)cc1F)C(=O)[O-] ZINC000818627637 969192699 /nfs/dbraw/zinc/19/26/99/969192699.db2.gz WKQMCOVBCSZEGW-UHFFFAOYSA-N -1 0 333.310 2.621 20 50 EFGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2ccc(Br)c(F)c2)C1 ZINC001605815347 972542250 /nfs/dbraw/zinc/54/22/50/972542250.db2.gz FYEOFOHHHBTKOK-JGVFFNPUSA-N -1 0 345.168 2.532 20 50 EFGDRM O=C([O-])C1CCC(NC(=O)NNc2cccc(F)c2Cl)CC1 ZINC001605815409 972543066 /nfs/dbraw/zinc/54/30/66/972543066.db2.gz JGZUYKHEGOLTTK-UHFFFAOYSA-N -1 0 329.759 2.749 20 50 EFGDRM O=C([O-])c1ccccc1NC(=O)NNC(=O)c1ccccc1Cl ZINC001605815695 972544733 /nfs/dbraw/zinc/54/47/33/972544733.db2.gz QNPWCNHXXCWHAE-UHFFFAOYSA-N -1 0 333.731 2.505 20 50 EFGDRM O=C([O-])[C@@H](C(=O)NNc1ccc(Cl)cc1Br)C1CC1 ZINC001605898646 972715086 /nfs/dbraw/zinc/71/50/86/972715086.db2.gz YYKWTEUHGQYZPF-SNVBAGLBSA-N -1 0 347.596 2.656 20 50 EFGDRM O=C([O-])[C@@]1(C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])CC=CCC1 ZINC001605935254 972871627 /nfs/dbraw/zinc/87/16/27/972871627.db2.gz DNLHMANXPPSWPJ-AWEZNQCLSA-N -1 0 339.735 2.502 20 50 EFGDRM O=C([O-])[C@]1(C(=O)NNc2cccc(Br)c2)CC=CCC1 ZINC001605935335 972872327 /nfs/dbraw/zinc/87/23/27/972872327.db2.gz GOFCAEZAJQKVHM-CQSZACIVSA-N -1 0 339.189 2.703 20 50 EFGDRM Cc1ccc(NNC(=O)c2cccc(OCC(=O)[O-])c2)c(Cl)c1 ZINC001605296924 973110255 /nfs/dbraw/zinc/11/02/55/973110255.db2.gz SQWVSFMGOSRHNL-UHFFFAOYSA-N -1 0 334.759 2.869 20 50 EFGDRM Cc1ccc(OCCCC(=O)NN=c2[nH]cccc2C(=O)[O-])c(C)c1 ZINC001605301303 973112727 /nfs/dbraw/zinc/11/27/27/973112727.db2.gz FIGHFGOPMDUQPR-UHFFFAOYSA-N -1 0 343.383 2.699 20 50 EFGDRM Cc1cccc(C(=O)NNc2ncccc2C(=O)[O-])c1C(F)(F)F ZINC001605320780 973157565 /nfs/dbraw/zinc/15/75/65/973157565.db2.gz ZZJJRONCTUZSGA-UHFFFAOYSA-N -1 0 339.273 2.864 20 50 EFGDRM Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001605321917 973161357 /nfs/dbraw/zinc/16/13/57/973161357.db2.gz OYOHZZIDBOEZMR-KBPBESRZSA-N -1 0 334.416 2.831 20 50 EFGDRM Cc1nc(-c2ccccc2)ccc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001605393350 973366112 /nfs/dbraw/zinc/36/61/12/973366112.db2.gz HVKLJQPLHPRDBJ-UHFFFAOYSA-N -1 0 348.362 2.907 20 50 EFGDRM O=C([O-])Cc1ccccc1NC(=O)NNc1cc(F)cc(F)c1F ZINC001606320441 973737344 /nfs/dbraw/zinc/73/73/44/973737344.db2.gz ADYTUUVZOABUET-UHFFFAOYSA-N -1 0 339.273 2.880 20 50 EFGDRM N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)N(CC(F)(F)F)C1CC1 ZINC000490662660 974255097 /nfs/dbraw/zinc/25/50/97/974255097.db2.gz CSBYTAURYHZWMI-GHXNOFRVSA-N -1 0 338.285 2.845 20 50 EFGDRM CCCCCNC(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000491105670 974256105 /nfs/dbraw/zinc/25/61/05/974256105.db2.gz QONQXQCUBHLMQI-JMRXEAOASA-N -1 0 330.384 2.752 20 50 EFGDRM CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC001603861079 974364363 /nfs/dbraw/zinc/36/43/63/974364363.db2.gz JXTNZZAHWVMLCF-RIYRZUHRSA-N -1 0 342.395 2.561 20 50 EFGDRM CCc1cccc(C)c1NC(=S)NNC(=O)C1(CC(=O)[O-])CCC1 ZINC001603975405 974466926 /nfs/dbraw/zinc/46/69/26/974466926.db2.gz XNRJFAZSYBTBHK-UHFFFAOYSA-N -1 0 349.456 2.520 20 50 EFGDRM CC(C)O[C@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC001591686037 975490090 /nfs/dbraw/zinc/49/00/90/975490090.db2.gz GNSDNDVFUMIYQU-SFHVURJKSA-N -1 0 342.395 2.923 20 50 EFGDRM CC(C)O[C@H]1C[C@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)C1(C)C ZINC001591697245 975544322 /nfs/dbraw/zinc/54/43/22/975544322.db2.gz YHQZVKMESCQDGT-GJZGRUSLSA-N -1 0 349.431 2.532 20 50 EFGDRM CC(C)c1nc(C#N)c(NNC(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC001592008399 976676092 /nfs/dbraw/zinc/67/60/92/976676092.db2.gz JHQHNYAJUFIWBO-UHFFFAOYSA-N -1 0 348.746 2.778 20 50 EFGDRM CC(C)c1nc(C#N)c(NNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)o1 ZINC001592008875 976683009 /nfs/dbraw/zinc/68/30/09/976683009.db2.gz XQCQMLIDYQVWFM-UHFFFAOYSA-N -1 0 346.387 2.538 20 50 EFGDRM CC(C)c1ncc(Cl)c(C(=O)NNc2ccccc2C(=O)[O-])n1 ZINC001592032993 976747003 /nfs/dbraw/zinc/74/70/03/976747003.db2.gz CJMIMDMFAQJEKP-UHFFFAOYSA-N -1 0 334.763 2.709 20 50 EFGDRM C[C@@H](C1CC1)n1cc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cn1 ZINC001592182289 977116626 /nfs/dbraw/zinc/11/66/26/977116626.db2.gz WSCDXHJAAFZCQG-VIFPVBQESA-N -1 0 347.350 2.840 20 50 EFGDRM C[C@@H](CC(=O)NNc1cccc(C(=O)[O-])c1F)C(=O)c1ccccc1 ZINC001592252575 977481976 /nfs/dbraw/zinc/48/19/76/977481976.db2.gz NAXIRVCJHVOQRA-NSHDSACASA-N -1 0 344.342 2.876 20 50 EFGDRM C[C@H](CC(=O)[O-])CC(=O)NN=c1[nH]c2ccc(Cl)cc2s1 ZINC001592391102 977934282 /nfs/dbraw/zinc/93/42/82/977934282.db2.gz AZEHBDLLTMSDKZ-ZETCQYMHSA-N -1 0 327.793 2.894 20 50 EFGDRM C[C@H](CC=NNC(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC001592470918 978226947 /nfs/dbraw/zinc/22/69/47/978226947.db2.gz NKZWRKOBGBYKEA-SSDOTTSWSA-N -1 0 347.596 2.929 20 50 EFGDRM O=C([O-])c1ccc(C=NNC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000728434487 978293432 /nfs/dbraw/zinc/29/34/32/978293432.db2.gz ZOLYMINBILGGDN-UHFFFAOYSA-N -1 0 334.278 2.750 20 50 EFGDRM CC(=O)c1csc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000736196231 978309220 /nfs/dbraw/zinc/30/92/20/978309220.db2.gz LBTGSQGQWDYAAA-UHFFFAOYSA-N -1 0 335.293 2.776 20 50 EFGDRM C[C@H](Oc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736703791 978350344 /nfs/dbraw/zinc/35/03/44/978350344.db2.gz JNEPLFMSZIEBNL-JTQLQIEISA-N -1 0 331.280 2.666 20 50 EFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCCNC(=O)[O-])c1C ZINC000737004175 978372805 /nfs/dbraw/zinc/37/28/05/978372805.db2.gz NQEZCQLAFAGLOS-XNTDXEJSSA-N -1 0 333.388 2.623 20 50 EFGDRM CCc1[nH]c(C(=O)NNc2cc(F)c(F)cc2F)c(C)c1C(=O)[O-] ZINC000737244781 978391522 /nfs/dbraw/zinc/39/15/22/978391522.db2.gz ROQFXJLXTSVMEZ-UHFFFAOYSA-N -1 0 341.289 2.758 20 50 EFGDRM CN(C)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1F ZINC000737377272 978401741 /nfs/dbraw/zinc/40/17/41/978401741.db2.gz KNEFHWCPQIOYGZ-UHFFFAOYSA-N -1 0 348.286 2.717 20 50 EFGDRM COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(OC)c1 ZINC000737948005 978461734 /nfs/dbraw/zinc/46/17/34/978461734.db2.gz OQINFMLSSISARP-UHFFFAOYSA-N -1 0 347.279 2.529 20 50 EFGDRM COc1ccc(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1F ZINC000737984506 978464212 /nfs/dbraw/zinc/46/42/12/978464212.db2.gz NBDCSGHRIWFRQU-UHFFFAOYSA-N -1 0 349.270 2.589 20 50 EFGDRM Cc1[nH]c(C(=O)NNc2ccc(F)c(F)c2F)c(C)c1C(=O)[O-] ZINC000738157418 978488704 /nfs/dbraw/zinc/48/87/04/978488704.db2.gz RFEAZLIGHPNFGM-UHFFFAOYSA-N -1 0 327.262 2.504 20 50 EFGDRM Cc1cc(C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)c(C)o1 ZINC000738332904 978518235 /nfs/dbraw/zinc/51/82/35/978518235.db2.gz RAZUNTCVBWRHDN-UHFFFAOYSA-N -1 0 325.324 2.840 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)OCCNC(=O)[O-])c(C)n1CCC(C)C ZINC000738378865 978529601 /nfs/dbraw/zinc/52/96/01/978529601.db2.gz LICDJBWRBVOHEQ-YBEGLDIGSA-N -1 0 347.415 2.869 20 50 EFGDRM Cc1ccc(C)c(OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738577591 978566042 /nfs/dbraw/zinc/56/60/42/978566042.db2.gz ZJIIOZAOVLZQLJ-UHFFFAOYSA-N -1 0 345.307 2.894 20 50 EFGDRM Cc1cccc(OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738734684 978598261 /nfs/dbraw/zinc/59/82/61/978598261.db2.gz NRZSWIORHKJGBG-UHFFFAOYSA-N -1 0 331.280 2.586 20 50 EFGDRM Cc1ncc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)s1 ZINC000738882910 978606867 /nfs/dbraw/zinc/60/68/67/978606867.db2.gz DLSILHUNNPFRSY-HYXAFXHYSA-N -1 0 334.309 2.677 20 50 EFGDRM O=C([O-])[C@H](NNC(=O)c1c[nH]c2ccccc12)c1cccc(Cl)c1 ZINC000739453909 978638161 /nfs/dbraw/zinc/63/81/61/978638161.db2.gz MZGDOZWXVLGIDS-OAHLLOKOSA-N -1 0 343.770 2.882 20 50 EFGDRM O=C([O-])c1occc1C=NNC(=O)Nc1ccc(OC(F)F)cc1 ZINC000739455365 978641369 /nfs/dbraw/zinc/64/13/69/978641369.db2.gz ZRCZPFMKIJTKIN-UHFFFAOYSA-N -1 0 339.254 2.735 20 50 EFGDRM O=C([O-])COc1cccc(CNC(=O)NNc2ccccc2Cl)c1 ZINC000739834180 978656201 /nfs/dbraw/zinc/65/62/01/978656201.db2.gz HACAOZRWOOTCPA-UHFFFAOYSA-N -1 0 349.774 2.630 20 50 EFGDRM O=C([O-])Cc1csc(NC(=O)NNc2cccc(Cl)c2)n1 ZINC000739901725 978658516 /nfs/dbraw/zinc/65/85/16/978658516.db2.gz UJJRZYLBBTUHEU-UHFFFAOYSA-N -1 0 326.765 2.572 20 50 EFGDRM O=C([O-])Nc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 ZINC000740034646 978664511 /nfs/dbraw/zinc/66/45/11/978664511.db2.gz YWYNNJBBMLLGCF-UHFFFAOYSA-N -1 0 333.731 2.505 20 50 EFGDRM O=C([O-])c1cc(OC(=O)C(=O)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000740308550 978675453 /nfs/dbraw/zinc/67/54/53/978675453.db2.gz WMOQZGCKBRMELY-UHFFFAOYSA-N -1 0 349.682 2.735 20 50 EFGDRM CC(=NNC(=O)CCOc1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC000747051115 978686155 /nfs/dbraw/zinc/68/61/55/978686155.db2.gz JMRQREJASZBGDX-UHFFFAOYSA-N -1 0 326.352 2.694 20 50 EFGDRM O=C([O-])c1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)[nH]1 ZINC000749810323 978689425 /nfs/dbraw/zinc/68/94/25/978689425.db2.gz QKIWGWYPTDKHKH-UHFFFAOYSA-N -1 0 326.139 2.784 20 50 EFGDRM CC(C)CCOc1ccc(C(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000749811616 978689763 /nfs/dbraw/zinc/68/97/63/978689763.db2.gz DGLYERZJICZNBP-UHFFFAOYSA-N -1 0 343.383 2.902 20 50 EFGDRM Cc1ccccc1CC(=O)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794917788 978829121 /nfs/dbraw/zinc/82/91/21/978829121.db2.gz IWKUOINLAIUMDX-AWEZNQCLSA-N -1 0 340.379 2.540 20 50 EFGDRM O=C([O-])Cn1cc(C=NNC(=O)c2ccccc2F)c2ccccc21 ZINC000799866858 978841463 /nfs/dbraw/zinc/84/14/63/978841463.db2.gz WUBAAULKWVWGNU-UHFFFAOYSA-N -1 0 339.326 2.629 20 50 EFGDRM C[C@H]1C(=NNC(=O)c2cc(-c3ccccc3)n[nH]2)CC[C@@H]1CC(=O)[O-] ZINC000814706089 978875116 /nfs/dbraw/zinc/87/51/16/978875116.db2.gz CPZYLVPUULJJGQ-DGCLKSJQSA-N -1 0 340.383 2.683 20 50 EFGDRM CC(=NNC(=O)COc1cc(C)cc(C)c1)c1cc(C(=O)[O-])cs1 ZINC000814719604 978876015 /nfs/dbraw/zinc/87/60/15/978876015.db2.gz VTABQBMLZKHTSX-UHFFFAOYSA-N -1 0 346.408 2.982 20 50 EFGDRM CC(=NNC(=O)Cc1csc(C)n1)[C@@H](C)CCCCC(=O)[O-] ZINC000814739945 978878895 /nfs/dbraw/zinc/87/88/95/978878895.db2.gz IJDPAXKBCJYCJW-JTQLQIEISA-N -1 0 325.434 2.767 20 50 EFGDRM C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CC[C@H](CC(=O)[O-])[C@H]1C ZINC000814750843 978880369 /nfs/dbraw/zinc/88/03/69/978880369.db2.gz AQSIAAGAUKOSFA-GRYCIOLGSA-N -1 0 336.363 2.586 20 50 EFGDRM C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC000814750844 978880427 /nfs/dbraw/zinc/88/04/27/978880427.db2.gz AQSIAAGAUKOSFA-SDDRHHMPSA-N -1 0 336.363 2.586 20 50 EFGDRM CC(=NNC(=O)c1ccc2c(c1)OCCO2)[C@H](C)CCCCC(=O)[O-] ZINC000814789052 978885574 /nfs/dbraw/zinc/88/55/74/978885574.db2.gz VDPJQDOXAVOVTC-GFCCVEGCSA-N -1 0 348.399 2.845 20 50 EFGDRM COc1ccccc1CC(=O)NN=C(C)c1cc(C(=O)[O-])cs1 ZINC000814813109 978887187 /nfs/dbraw/zinc/88/71/87/978887187.db2.gz IFHXFOISCHGXEA-UHFFFAOYSA-N -1 0 332.381 2.538 20 50 EFGDRM O=C([O-])c1cccc(C=NNC(=O)c2cccc(Br)c2)c1 ZINC000814857416 978894013 /nfs/dbraw/zinc/89/40/13/978894013.db2.gz KPXFDDCTBULLQJ-UHFFFAOYSA-N -1 0 347.168 2.911 20 50 EFGDRM C[C@@H]1C(=NNC(=O)Nc2cc(F)cc(F)c2)CC[C@H]1CC(=O)[O-] ZINC000815006055 978900512 /nfs/dbraw/zinc/90/05/12/978900512.db2.gz HOOKOPTWYPMUPM-IUCAKERBSA-N -1 0 325.315 2.963 20 50 EFGDRM C[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1F)Oc1ccccc1 ZINC001592675758 979090587 /nfs/dbraw/zinc/09/05/87/979090587.db2.gz GOWQTOKMFRLISG-LLVKDONJSA-N -1 0 347.346 2.618 20 50 EFGDRM C[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001592676762 979098769 /nfs/dbraw/zinc/09/87/69/979098769.db2.gz XVMSSHDIBPJBMP-LLVKDONJSA-N -1 0 331.347 2.954 20 50 EFGDRM CC[C@@H](C)n1ncc(C(=O)NNc2cccc(F)c2C(=O)[O-])c1C ZINC001595024370 979128957 /nfs/dbraw/zinc/12/89/57/979128957.db2.gz WEUUTBMYTDOHFZ-SECBINFHSA-N -1 0 334.351 2.757 20 50 EFGDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)C(C#N)=Cc1ccc(C)cc1 ZINC001595041444 979224656 /nfs/dbraw/zinc/22/46/56/979224656.db2.gz OBHGCHYWJPVPJK-XNTDXEJSSA-N -1 0 343.379 2.905 20 50 EFGDRM O=C([O-])c1occc1CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC000851618199 979543832 /nfs/dbraw/zinc/54/38/32/979543832.db2.gz KLUKGFGKTPPUGL-LLHLLMPMSA-N -1 0 342.189 2.548 20 50 EFGDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592833338 979569650 /nfs/dbraw/zinc/56/96/50/979569650.db2.gz GACUKGDBABLLDS-LLVKDONJSA-N -1 0 341.342 2.717 20 50 EFGDRM C[C@@H](Cc1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1)C(=O)[O-] ZINC001592874077 979738881 /nfs/dbraw/zinc/73/88/81/979738881.db2.gz XGOIVTWEDRFFMU-VIFPVBQESA-N -1 0 349.778 2.542 20 50 EFGDRM C[C@@H](Cc1ccccc1F)NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592896129 979794893 /nfs/dbraw/zinc/79/48/93/979794893.db2.gz IGFZJOULODKAOF-LBPRGKRZSA-N -1 0 345.374 2.710 20 50 EFGDRM C[C@@H](Cn1ncc2ccccc21)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001592929851 979961865 /nfs/dbraw/zinc/96/18/65/979961865.db2.gz NZCOYCUQGCJEIO-LBPRGKRZSA-N -1 0 338.367 2.514 20 50 EFGDRM C[C@H](F)CCNC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001592950846 980032487 /nfs/dbraw/zinc/03/24/87/980032487.db2.gz RVABXXSDNWJEQT-ZETCQYMHSA-N -1 0 348.172 2.522 20 50 EFGDRM CC[C@H](OC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C)C(=O)[O-] ZINC001595331835 980575906 /nfs/dbraw/zinc/57/59/06/980575906.db2.gz LKWMVZRXAHAQJW-NGEIUUBKSA-N -1 0 348.399 2.626 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000909125113 981422210 /nfs/dbraw/zinc/42/22/10/981422210.db2.gz AZFZPEOUOLXYEO-LBPRGKRZSA-N -1 0 344.205 2.898 20 50 EFGDRM CC[C@@H](C(=O)[O-])C(=O)NNc1ccc(Cl)cc1Br ZINC001594755817 981669154 /nfs/dbraw/zinc/66/91/54/981669154.db2.gz UGPOAKKBNVJOIJ-SSDOTTSWSA-N -1 0 335.585 2.656 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000909848671 981676093 /nfs/dbraw/zinc/67/60/93/981676093.db2.gz UIWYPXFJQQAYLI-SECBINFHSA-N -1 0 334.235 2.872 20 50 EFGDRM CCC/C=C/C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595624107 981729302 /nfs/dbraw/zinc/72/93/02/981729302.db2.gz LUQYINSXSVGMTA-SNAWJCMRSA-N -1 0 327.178 2.947 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000910238076 981803851 /nfs/dbraw/zinc/80/38/51/981803851.db2.gz CYYPQMZVTNENAL-NNYUYHANSA-N -1 0 346.265 2.898 20 50 EFGDRM CCCC[C@@H](NNC(=O)COc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001595640891 981964813 /nfs/dbraw/zinc/96/48/13/981964813.db2.gz PBHVAQBWVXYUQO-LLVKDONJSA-N -1 0 349.214 2.636 20 50 EFGDRM CCCCO[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1(C)C ZINC001595771380 982521141 /nfs/dbraw/zinc/52/11/41/982521141.db2.gz ZCVPAASUEDMWHX-HUUCEWRRSA-N -1 0 349.431 2.995 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC000911659724 982589656 /nfs/dbraw/zinc/58/96/56/982589656.db2.gz NPHUHPOSIRUJLN-JQWIXIFHSA-N -1 0 343.221 2.523 20 50 EFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)/C=C\C(=O)[O-])c1C ZINC001595801912 982615834 /nfs/dbraw/zinc/61/58/34/982615834.db2.gz BZNGLOXRVCIIBW-YLXMRKGLSA-N -1 0 343.427 2.958 20 50 EFGDRM CC[C@@H](C)CC[C@@H](O)CC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001594955902 982687331 /nfs/dbraw/zinc/68/73/31/982687331.db2.gz AUAJPWCKBVWGGA-ZYHUDNBSSA-N -1 0 326.368 2.544 20 50 EFGDRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(CCCCl)cc1 ZINC001595833100 982729431 /nfs/dbraw/zinc/72/94/31/982729431.db2.gz MZKJLCBDQMHZDS-LBPRGKRZSA-N -1 0 347.864 2.732 20 50 EFGDRM CCCc1nc(C)c(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)s1 ZINC001596082317 983399991 /nfs/dbraw/zinc/39/99/91/983399991.db2.gz TYHYCTJCESKQPW-UHFFFAOYSA-N -1 0 337.376 2.998 20 50 EFGDRM CCCc1nc(C)c(CNC(=O)NNc2cccc(C(=O)[O-])c2C)o1 ZINC001596082869 983403020 /nfs/dbraw/zinc/40/30/20/983403020.db2.gz BEYGOYCATDCBFL-UHFFFAOYSA-N -1 0 346.387 2.768 20 50 EFGDRM C#CCCOc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001588455171 983478851 /nfs/dbraw/zinc/47/88/51/983478851.db2.gz FXJGJHKJNUZFII-UHFFFAOYSA-N -1 0 342.326 2.683 20 50 EFGDRM C#CCOc1ccc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001588497925 983542027 /nfs/dbraw/zinc/54/20/27/983542027.db2.gz LPSHHRYYFQKBNS-UHFFFAOYSA-N -1 0 343.314 2.685 20 50 EFGDRM C=CCC(F)(F)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001588742476 984032625 /nfs/dbraw/zinc/03/26/25/984032625.db2.gz DUDRGSAGCPSSEV-UHFFFAOYSA-N -1 0 349.131 2.802 20 50 EFGDRM CCNc1ncc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC001596507461 984265308 /nfs/dbraw/zinc/26/53/08/984265308.db2.gz JRTGCUGWOFLSGJ-UHFFFAOYSA-N -1 0 340.792 2.683 20 50 EFGDRM C=CCOc1ccc(CC(=O)NNc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001588874154 984447992 /nfs/dbraw/zinc/44/79/92/984447992.db2.gz YRDRDMWADDFKAD-UHFFFAOYSA-N -1 0 340.379 2.944 20 50 EFGDRM C/C(=C\c1ccc(F)cc1)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001588998945 984935671 /nfs/dbraw/zinc/93/56/71/984935671.db2.gz OFDQTMBZOBXUCZ-ZRDIBKRKSA-N -1 0 328.343 2.999 20 50 EFGDRM CCOC(=O)c1ccc(NNC(=O)c2cc(C(=O)[O-])oc2C)cc1C ZINC001596724579 984978120 /nfs/dbraw/zinc/97/81/20/984978120.db2.gz NSVLMKBHXLOGQU-UHFFFAOYSA-N -1 0 346.339 2.528 20 50 EFGDRM CC(=NNC(=O)CCCc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001589011128 984987360 /nfs/dbraw/zinc/98/73/60/984987360.db2.gz PTSCYMFUZFLIPA-UHFFFAOYSA-N -1 0 331.397 2.704 20 50 EFGDRM CCO[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1 ZINC001596762093 985158809 /nfs/dbraw/zinc/15/88/09/985158809.db2.gz LUBATUDWQOCJCN-OAHLLOKOSA-N -1 0 332.331 2.745 20 50 EFGDRM C[C@]1(c2ccccc2)C[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599938713 985428535 /nfs/dbraw/zinc/42/85/35/985428535.db2.gz QOQITBDUJJOVQV-SCLBCKFNSA-N -1 0 328.343 2.945 20 50 EFGDRM Cc1[nH]c(C(=O)NNc2cc(F)cc(Cl)c2)c(C)c1C(=O)[O-] ZINC001599954054 985657234 /nfs/dbraw/zinc/65/72/34/985657234.db2.gz 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986183474 /nfs/dbraw/zinc/18/34/74/986183474.db2.gz XOKFYBINDQKDBT-UHFFFAOYSA-N -1 0 348.378 2.832 20 50 EFGDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCCSSC ZINC001597021045 986407294 /nfs/dbraw/zinc/40/72/94/986407294.db2.gz PJURZGHHLNLQBM-UHFFFAOYSA-N -1 0 330.431 2.916 20 50 EFGDRM CCOc1cc(/C=C\C(=O)NNc2cccc(C(=O)[O-])c2)ccc1O ZINC001597032337 986454913 /nfs/dbraw/zinc/45/49/13/986454913.db2.gz DPCFKNDUWVOHPS-CLFYSBASSA-N -1 0 342.351 2.646 20 50 EFGDRM CCOc1ccc(CCC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001597095989 986699970 /nfs/dbraw/zinc/69/99/70/986699970.db2.gz YUQQAWUVDKQLLA-UHFFFAOYSA-N -1 0 346.358 2.999 20 50 EFGDRM CCOc1ccc(NNC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC001597125775 986833896 /nfs/dbraw/zinc/83/38/96/986833896.db2.gz HOWQVNBQMACSRT-LPHOPBHVSA-N -1 0 340.379 2.787 20 50 EFGDRM C[C@H]1Oc2ccccc2[C@H]1NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001594650282 986867204 /nfs/dbraw/zinc/86/72/04/986867204.db2.gz BJJQUPLPYQEXIP-PSLIRLAXSA-N -1 0 345.330 2.672 20 50 EFGDRM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594650880 986873569 /nfs/dbraw/zinc/87/35/69/986873569.db2.gz MSPIAWJPMZKEPR-BJOHPYRUSA-N -1 0 345.330 2.672 20 50 EFGDRM CC[C@@H](C(=O)NNC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC001594735430 987268704 /nfs/dbraw/zinc/26/87/04/987268704.db2.gz ASSHIGDXTUOJSG-GFCCVEGCSA-N -1 0 347.396 2.793 20 50 EFGDRM CCSCC[C@@H](C)NC(=O)NNc1cccc(C(=O)[O-])c1C ZINC001597259356 987280171 /nfs/dbraw/zinc/28/01/71/987280171.db2.gz RJHDNNDSJVHZSZ-SNVBAGLBSA-N -1 0 325.434 2.851 20 50 EFGDRM CCSc1cc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)ccn1 ZINC001597267453 987302714 /nfs/dbraw/zinc/30/27/14/987302714.db2.gz HIDOCCHFGSUJNH-UHFFFAOYSA-N -1 0 347.396 2.657 20 50 EFGDRM CCSc1ccc(C(=O)NNc2cccc(F)c2C(=O)[O-])cn1 ZINC001597271058 987316358 /nfs/dbraw/zinc/31/63/58/987316358.db2.gz RNNZPEOEZYHGOR-UHFFFAOYSA-N -1 0 335.360 2.788 20 50 EFGDRM CC(C)(C(=O)[O-])n1cc(NC(=O)NNc2cccc(Cl)c2)cn1 ZINC001589666453 987653523 /nfs/dbraw/zinc/65/35/23/987653523.db2.gz HHOPAKPUQFFRPR-UHFFFAOYSA-N -1 0 337.767 2.505 20 50 EFGDRM CC(C)(C)[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)C(F)(F)F ZINC001589715931 987854626 /nfs/dbraw/zinc/85/46/26/987854626.db2.gz IAAXCPZDZXFGDV-LLVKDONJSA-N -1 0 333.310 2.988 20 50 EFGDRM CC(C)(C)CC(=O)NN[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589740968 988013504 /nfs/dbraw/zinc/01/35/04/988013504.db2.gz VLZIJBHIBVPTIJ-LBPRGKRZSA-N -1 0 332.322 2.888 20 50 EFGDRM CCc1ccc(C(=O)NNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001597500959 988062376 /nfs/dbraw/zinc/06/23/76/988062376.db2.gz GLUXQAJGZKHSTO-UHFFFAOYSA-N -1 0 341.367 2.722 20 50 EFGDRM CCc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2C)cc1[N+](=O)[O-] ZINC001597501111 988065073 /nfs/dbraw/zinc/06/50/73/988065073.db2.gz RWRRPCSKVOIQBG-UHFFFAOYSA-N -1 0 343.339 2.921 20 50 EFGDRM CCc1ccc(CCNC(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001597524839 988164672 /nfs/dbraw/zinc/16/46/72/988164672.db2.gz NFKAOOORIDBXRY-UHFFFAOYSA-N -1 0 345.374 2.955 20 50 EFGDRM CCc1cccc(CC(=O)NNc2ccc(C(=O)[O-])cc2OC)c1 ZINC001597581144 988385933 /nfs/dbraw/zinc/38/59/33/988385933.db2.gz PJJUKRPZGPNPCT-UHFFFAOYSA-N -1 0 328.368 2.642 20 50 EFGDRM CCc1ccccc1CNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001597609536 988496686 /nfs/dbraw/zinc/49/66/86/988496686.db2.gz QVKZTRNONJBTHM-UHFFFAOYSA-N -1 0 331.347 2.913 20 50 EFGDRM CSc1ccc(NNC(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001599820562 988506602 /nfs/dbraw/zinc/50/66/02/988506602.db2.gz BEDZKTBUVOXGEG-UHFFFAOYSA-N -1 0 332.385 2.959 20 50 EFGDRM CSc1ccc(NNC(=O)Nc2cccc(CC(=O)[O-])n2)cc1 ZINC001599820603 988506736 /nfs/dbraw/zinc/50/67/36/988506736.db2.gz DSOHRQVPAWVVJH-UHFFFAOYSA-N -1 0 332.385 2.579 20 50 EFGDRM CCc1ccccc1OCCC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001597617133 988541507 /nfs/dbraw/zinc/54/15/07/988541507.db2.gz UKQJVYSGVKQJNX-UHFFFAOYSA-N -1 0 346.358 2.999 20 50 EFGDRM CCc1cnccc1[C@@H](C)NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001597633960 988608876 /nfs/dbraw/zinc/60/88/76/988608876.db2.gz JACBYCIRAQQNDF-SNVBAGLBSA-N -1 0 346.362 2.869 20 50 EFGDRM CCc1oc(C=NNC(=O)COc2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC001597793290 989344356 /nfs/dbraw/zinc/34/43/56/989344356.db2.gz ZVHCHPVEGBFTGW-UHFFFAOYSA-N -1 0 344.367 2.686 20 50 EFGDRM CC(C)(C)OC(=O)NNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001590232146 989606018 /nfs/dbraw/zinc/60/60/18/989606018.db2.gz DMLVVXPEPQDBHN-UHFFFAOYSA-N -1 0 347.730 2.739 20 50 EFGDRM CC(C)(C)OC(=O)[C@H]1CC[C@@H](C(=O)NNc2ccccc2C(=O)[O-])C1 ZINC001590357788 989799853 /nfs/dbraw/zinc/79/98/53/989799853.db2.gz LYBSAFNNDZIGQA-NEPJUHHUSA-N -1 0 348.399 2.586 20 50 EFGDRM CCn1nc(C)c(NC(=O)NNc2cccc(C(=O)[O-])c2F)c1C ZINC001597939045 989916637 /nfs/dbraw/zinc/91/66/37/989916637.db2.gz JLXDMXTVQGUDJM-UHFFFAOYSA-N -1 0 335.339 2.506 20 50 EFGDRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001590397607 989926967 /nfs/dbraw/zinc/92/69/67/989926967.db2.gz QYAVVIBYNFYKGS-ZYHUDNBSSA-N -1 0 326.780 2.685 20 50 EFGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)c2cc(C(=O)[O-])on2)C1 ZINC001590452150 990017673 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CC(=Cc1ccc(C)cc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823943112 1428005815 /nfs/dbraw/zinc/00/58/15/1428005815.db2.gz NNWUXEMQKSNCQE-JLHYYAGUSA-N -1 0 334.383 2.722 20 50 EFGDRM CC(C)(C)SCCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824123875 1429130681 /nfs/dbraw/zinc/13/06/81/1429130681.db2.gz KYIGEIAPMBMKEM-UHFFFAOYSA-N -1 0 334.449 2.622 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000274328527 1423726619 /nfs/dbraw/zinc/72/66/19/1423726619.db2.gz QIUKRJZPHZRBAM-SNVBAGLBSA-N -1 0 338.209 2.615 20 50 EFGDRM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)c1C ZINC000822324194 1424049363 /nfs/dbraw/zinc/04/93/63/1424049363.db2.gz XLAWEMNCOMDKJZ-WQLSENKSSA-N -1 0 334.339 2.622 20 50 EFGDRM Cc1ccc2c(CC(=O)NNc3ccc(-c4nn[n-]n4)cc3)coc2c1 ZINC000826293153 1429696787 /nfs/dbraw/zinc/69/67/87/1429696787.db2.gz CQUGSOPVBPHBOQ-UHFFFAOYSA-N -1 0 348.366 2.607 20 50 EFGDRM CCSc1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825674703 1424547708 /nfs/dbraw/zinc/54/77/08/1424547708.db2.gz 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ZINC000848593671 955767636 /nfs/dbraw/zinc/76/76/36/955767636.db2.gz QMZKENVQUUCPPC-GRYCIOLGSA-N -1 0 337.395 2.896 20 50 EFGDRM N#C/C(=C/c1ccc(N2CCC(C(=O)[O-])CC2)o1)C(=O)C1CCC1 ZINC001594600715 956124166 /nfs/dbraw/zinc/12/41/66/956124166.db2.gz DPORPFSPJXCFPD-UVTDQMKNSA-N -1 0 328.368 2.857 20 50 EFGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NN=c1ccc2ccccc2[nH]1 ZINC001589205850 956665907 /nfs/dbraw/zinc/66/59/07/956665907.db2.gz OQVUHYFBOLEMKF-UHFFFAOYSA-N -1 0 327.384 2.815 20 50 EFGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC001589220172 956765312 /nfs/dbraw/zinc/76/53/12/956765312.db2.gz XGKWVJGWUFKLAP-ZDUSSCGKSA-N -1 0 332.278 2.529 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Cc1csc(C2CCCC2)n1 ZINC001594712978 956899831 /nfs/dbraw/zinc/89/98/31/956899831.db2.gz RVDAYKCWVWJAMK-UHFFFAOYSA-N -1 0 346.412 2.580 20 50 EFGDRM C[C@@]1(CNC(=O)Nc2ccccc2CC(=O)[O-])C[C@@H]1Br ZINC001589246571 956930597 /nfs/dbraw/zinc/93/05/97/956930597.db2.gz INSXTPISEMILEB-FZMZJTMJSA-N -1 0 341.205 2.609 20 50 EFGDRM N#C/C(=C/c1ccc(OCC(=O)[O-])cc1)C(=O)Nc1ccccc1F ZINC000033516012 957187159 /nfs/dbraw/zinc/18/71/59/957187159.db2.gz ZJEDPPGOXGRKOX-LCYFTJDESA-N -1 0 340.310 2.835 20 50 EFGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)c1 ZINC001594288295 957795659 /nfs/dbraw/zinc/79/56/59/957795659.db2.gz IQZMVISXQFSMNX-UHFFFAOYSA-N -1 0 329.312 2.667 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(Cl)cc2cccnc21 ZINC001574820135 957905174 /nfs/dbraw/zinc/90/51/74/957905174.db2.gz IZGOYVJCLLNKER-UHFFFAOYSA-N -1 0 342.742 2.738 20 50 EFGDRM COc1c(C)ccc(NC(=O)NN=c2[nH]cccc2C(=O)[O-])c1C ZINC001594047020 957938862 /nfs/dbraw/zinc/93/88/62/957938862.db2.gz JTESKOKELRYUSJ-UHFFFAOYSA-N -1 0 330.344 2.554 20 50 EFGDRM COc1cc(NNC(=O)/C=C/c2ccc(C(=O)[O-])o2)ccc1Cl ZINC001594066458 958136747 /nfs/dbraw/zinc/13/67/47/958136747.db2.gz LWXLIAAMDXMNQR-QPJJXVBHSA-N -1 0 336.731 2.796 20 50 EFGDRM Cc1cc2ccccc2[nH]c1=NNC(=O)Cc1ccccc1C(=O)[O-] ZINC001594331846 958233803 /nfs/dbraw/zinc/23/38/03/958233803.db2.gz BBURUSROYJHTAU-UHFFFAOYSA-N -1 0 335.363 2.927 20 50 EFGDRM Cc1cc2occ(CC(=O)NNc3ncccc3C(=O)[O-])c2cc1C ZINC001594333390 958246820 /nfs/dbraw/zinc/24/68/20/958246820.db2.gz SZUBSLVNTLTTBB-UHFFFAOYSA-N -1 0 339.351 2.829 20 50 EFGDRM COc1ccc2oc(C)c(C(=O)NNc3ncccc3C(=O)[O-])c2c1 ZINC001594117318 958559595 /nfs/dbraw/zinc/55/95/95/958559595.db2.gz KOKANBGXMOINEV-UHFFFAOYSA-N -1 0 341.323 2.600 20 50 EFGDRM CC(C)[C@@H](C(=O)[O-])C(=O)NNc1ccc(Br)cc1Cl ZINC001573490085 959012173 /nfs/dbraw/zinc/01/21/73/959012173.db2.gz VNCPHCGEFABSIZ-SNVBAGLBSA-N -1 0 349.612 2.902 20 50 EFGDRM C[C@@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])c1cc2ccccc2o1 ZINC001588556552 959058968 /nfs/dbraw/zinc/05/89/68/959058968.db2.gz IPUZAXNCFGOTRS-SNVBAGLBSA-N -1 0 325.324 2.773 20 50 EFGDRM C[C@@](CNC(=O)NNc1c(F)cccc1F)(C(=O)[O-])c1ccccc1 ZINC001573599421 959420233 /nfs/dbraw/zinc/42/02/33/959420233.db2.gz DMVWOCHZXCRHEQ-KRWDZBQOSA-N -1 0 349.337 2.633 20 50 EFGDRM C[C@@H](SCC(=O)NN=C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001603281554 972512567 /nfs/dbraw/zinc/51/25/67/972512567.db2.gz NWFMGRVMJKOCCR-CYBMUJFWSA-N -1 0 342.420 2.762 20 50 EFGDRM CC[C@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C ZINC001573760224 960610044 /nfs/dbraw/zinc/61/00/44/960610044.db2.gz WRXZTXJANYZFCM-VHEJECIDSA-N -1 0 345.443 2.990 20 50 EFGDRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001574298863 960718248 /nfs/dbraw/zinc/71/82/48/960718248.db2.gz QKJAMAVMYNKEFG-UHFFFAOYSA-N -1 0 344.758 2.980 20 50 EFGDRM Cc1cc(C(=O)NNc2ncccc2C(=O)[O-])c2ccc(F)cc2n1 ZINC001574316585 960795135 /nfs/dbraw/zinc/79/51/35/960795135.db2.gz UYXQBAPSTKCWNC-UHFFFAOYSA-N -1 0 340.314 2.532 20 50 EFGDRM CCS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001320607462 960980273 /nfs/dbraw/zinc/98/02/73/960980273.db2.gz QUTMSBCKXRVZJY-NTEUORMPSA-N -1 0 331.349 2.944 20 50 EFGDRM CC(C)(C)O[C@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccccc1 ZINC001588731807 961089584 /nfs/dbraw/zinc/08/95/84/961089584.db2.gz IHLOLDHRWCJRMZ-AWEZNQCLSA-N -1 0 343.383 2.779 20 50 EFGDRM CC(C)(Oc1ccc(Cl)cc1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001588794830 961371596 /nfs/dbraw/zinc/37/15/96/961371596.db2.gz PNUWNMVXUOELDA-UHFFFAOYSA-N -1 0 349.774 2.734 20 50 EFGDRM Cc1oc(CNC(=O)[C@H](Br)C(C)(C)C)cc1C(=O)[O-] ZINC001332132409 961472349 /nfs/dbraw/zinc/47/23/49/961472349.db2.gz PTQMSDNGCZAMLE-JTQLQIEISA-N -1 0 332.194 2.712 20 50 EFGDRM CCOc1ccc(NNC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001573924946 961543987 /nfs/dbraw/zinc/54/39/87/961543987.db2.gz QHFZWJCSWSTAAU-UHFFFAOYSA-N -1 0 329.356 2.610 20 50 EFGDRM CC(C)C[C@H](CNC(=O)/C(C#N)=C/c1ccc(O)cc1)CC(=O)[O-] ZINC001588887343 962181680 /nfs/dbraw/zinc/18/16/80/962181680.db2.gz HDVFSVVMZPIIFL-GFKDLEGOSA-N -1 0 330.384 2.552 20 50 EFGDRM CC(C)c1nccnc1NNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001588976061 962698804 /nfs/dbraw/zinc/69/88/04/962698804.db2.gz LELNPIKFCUKKJN-UHFFFAOYSA-N -1 0 343.387 2.766 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001517400368 962787256 /nfs/dbraw/zinc/78/72/56/962787256.db2.gz ZHOAXFBSROJMMS-NSHDSACASA-N -1 0 334.254 2.947 20 50 EFGDRM N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)N(CC(F)(F)F)C1CC1 ZINC000274859077 962804587 /nfs/dbraw/zinc/80/45/87/962804587.db2.gz ZTSKGSWZTIYKMR-KPKJPENVSA-N -1 0 338.285 2.845 20 50 EFGDRM CC(C)(C(=O)NNC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001573382224 963114215 /nfs/dbraw/zinc/11/42/15/963114215.db2.gz VWVLFMSCMNEMGG-UHFFFAOYSA-N -1 0 341.367 2.515 20 50 EFGDRM C#CCCCC(=O)NN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001588439467 964029782 /nfs/dbraw/zinc/02/97/82/964029782.db2.gz ANIVFICBQRNRBX-ZDUSSCGKSA-N -1 0 329.183 2.543 20 50 EFGDRM CC(C)(C)c1ccc(C(=O)NNC(=O)NCCCCCC(=O)[O-])cc1 ZINC000840992427 969218010 /nfs/dbraw/zinc/21/80/10/969218010.db2.gz RZNUHJOXUDIWDA-UHFFFAOYSA-N -1 0 349.431 2.573 20 50 EFGDRM CC(C)C[C@H](CNC(=O)NC[C@@]1(C)C[C@@H]1Br)CC(=O)[O-] ZINC000857100428 969306703 /nfs/dbraw/zinc/30/67/03/969306703.db2.gz GQFKSHWUDYPJMA-COPLHBTASA-N -1 0 349.269 2.596 20 50 EFGDRM O=C([O-])CC[C@H]1C[C@H](C(=O)NNc2c(Cl)cccc2Cl)CO1 ZINC000901800811 969477534 /nfs/dbraw/zinc/47/75/34/969477534.db2.gz OECAZZGLHUYPRU-IUCAKERBSA-N -1 0 347.198 2.706 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccccc1-c1ncco1 ZINC001605820731 972547748 /nfs/dbraw/zinc/54/77/48/972547748.db2.gz AKXPHRMMMGLWNX-UHFFFAOYSA-N -1 0 339.311 2.583 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Nc1ccc2ncsc2c1 ZINC001605820769 972549075 /nfs/dbraw/zinc/54/90/75/972549075.db2.gz CVMVUDBJIMFVLR-UHFFFAOYSA-N -1 0 329.341 2.538 20 50 EFGDRM CSc1ccc(NNC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)cc1 ZINC001604965165 972556057 /nfs/dbraw/zinc/55/60/57/972556057.db2.gz YWVZLPMMJMDITB-UHFFFAOYSA-N -1 0 349.416 2.573 20 50 EFGDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NNc1ccnc2cc(Cl)ccc21 ZINC001603320148 972633401 /nfs/dbraw/zinc/63/34/01/972633401.db2.gz BENQSFUZAQZYJE-MRXNPFEDSA-N -1 0 333.775 2.832 20 50 EFGDRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001605173255 972882128 /nfs/dbraw/zinc/88/21/28/972882128.db2.gz LXOOYGYXNQXQCZ-JTQLQIEISA-N -1 0 349.774 2.652 20 50 EFGDRM O=C([O-])/C=C/c1cc(C(=O)NNc2cc(F)c(F)cc2F)co1 ZINC001606064758 973203941 /nfs/dbraw/zinc/20/39/41/973203941.db2.gz PGISHBHSPPFKCR-OWOJBTEDSA-N -1 0 326.230 2.552 20 50 EFGDRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NNc2cccc(Cl)c2Cl)CO1 ZINC001606112929 973335776 /nfs/dbraw/zinc/33/57/76/973335776.db2.gz ZEFQLGQTPUDDGO-RKDXNWHRSA-N -1 0 347.198 2.706 20 50 EFGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1ncnc(Cl)c1C(C)C ZINC001603526119 973568200 /nfs/dbraw/zinc/56/82/00/973568200.db2.gz YWMHSCACDZYIIU-UHFFFAOYSA-N -1 0 328.800 2.588 20 50 EFGDRM Cn1nc(C(=O)[O-])cc1/C=C(/C#N)c1nc(-c2ccncc2)cs1 ZINC001605540475 973746857 /nfs/dbraw/zinc/74/68/57/973746857.db2.gz YILYKKSCNAZCRZ-WDZFZDKYSA-N -1 0 337.364 2.701 20 50 EFGDRM COc1cc(NNC(=O)NCc2ccccc2C(=O)[O-])ccc1Cl ZINC001604731232 973931827 /nfs/dbraw/zinc/93/18/27/973931827.db2.gz CKCKZZURJBYDOL-UHFFFAOYSA-N -1 0 349.774 2.873 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC001606528424 974032535 /nfs/dbraw/zinc/03/25/35/974032535.db2.gz FZQTUSNEKXMWMA-UHFFFAOYSA-N -1 0 345.786 2.899 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)C1(c2cccc(F)c2)CCCC1 ZINC001606529035 974041763 /nfs/dbraw/zinc/04/17/63/974041763.db2.gz WHRLVBRZFJMAJF-UHFFFAOYSA-N -1 0 343.358 2.874 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC001605669527 974075225 /nfs/dbraw/zinc/07/52/25/974075225.db2.gz IURALEPDQFFMHW-HNNXBMFYSA-N -1 0 341.367 2.512 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CCSc1ccccc1F ZINC001605687537 974104210 /nfs/dbraw/zinc/10/42/10/974104210.db2.gz YQFXUSUMFLWRPT-UHFFFAOYSA-N -1 0 335.360 2.544 20 50 EFGDRM CN(N=Cc1cn(CC(=O)[O-])c2ccccc12)C(=O)OC(C)(C)C ZINC000496064509 974261822 /nfs/dbraw/zinc/26/18/22/974261822.db2.gz AMYKHMVOYYHZHI-UHFFFAOYSA-N -1 0 331.372 2.927 20 50 EFGDRM CC(C)O[C@@H]1C[C@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)C1(C)C ZINC001591697247 975544603 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CC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(C(=O)[O-])cc1 ZINC000729637418 978294740 /nfs/dbraw/zinc/29/47/40/978294740.db2.gz AHVSLBUEIZFYDV-UHFFFAOYSA-N -1 0 335.363 2.880 20 50 EFGDRM CC(C)(C(=O)NN=Cc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000731150562 978296862 /nfs/dbraw/zinc/29/68/62/978296862.db2.gz KMOUBXCFONRBNZ-UHFFFAOYSA-N -1 0 340.379 2.578 20 50 EFGDRM CC(C)CCO[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736432050 978335644 /nfs/dbraw/zinc/33/56/44/978335644.db2.gz PPLPRXAJYKWSCE-JTQLQIEISA-N -1 0 325.317 2.650 20 50 EFGDRM C[C@@H]1CCC[C@H](OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000736779004 978355108 /nfs/dbraw/zinc/35/51/08/978355108.db2.gz HSQSCAYRVNZWNT-MNOVXSKESA-N -1 0 337.328 2.794 20 50 EFGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1C ZINC000737003795 978372161 /nfs/dbraw/zinc/37/21/61/978372161.db2.gz KASCHEDFFHVPJY-OMJMQIJPSA-N -1 0 345.443 2.991 20 50 EFGDRM CCO[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000737156627 978383361 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Cc1c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000738285360 978510641 /nfs/dbraw/zinc/51/06/41/978510641.db2.gz DIFSNCSNAJSVGU-UHFFFAOYSA-N -1 0 346.251 2.729 20 50 EFGDRM Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)nn1C(C)(C)C ZINC000738350125 978523041 /nfs/dbraw/zinc/52/30/41/978523041.db2.gz AXJSOGBLFRKGFA-UHFFFAOYSA-N -1 0 347.327 2.772 20 50 EFGDRM Cc1cc(C=NNC(=O)Cc2ccsc2)cc(C)c1OCC(=O)[O-] ZINC000738379072 978529696 /nfs/dbraw/zinc/52/96/96/978529696.db2.gz NZVZGJJCDRPELL-UHFFFAOYSA-N -1 0 346.408 2.521 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)OCCNC(=O)[O-])c(C)n1CCC(C)C ZINC000738378863 978529924 /nfs/dbraw/zinc/52/99/24/978529924.db2.gz LICDJBWRBVOHEQ-MHWRWJLKSA-N -1 0 347.415 2.869 20 50 EFGDRM O=C([O-])CC(=O)NNc1c(Cl)cc(Br)cc1Cl ZINC000738557058 978557283 /nfs/dbraw/zinc/55/72/83/978557283.db2.gz WDTXFNOOXRSFHZ-UHFFFAOYSA-N -1 0 341.976 2.674 20 50 EFGDRM Cc1ccc(O[C@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000738640327 978579482 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20 50 EFGDRM N#Cc1ccc([C@H](NNC(=O)c2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000739108928 978617828 /nfs/dbraw/zinc/61/78/28/978617828.db2.gz YKCQCCLGGWGBLA-SFHVURJKSA-N -1 0 345.358 2.772 20 50 EFGDRM O=C([O-])c1ccc(CCC(=O)NNc2cc(F)c(F)cc2F)cc1 ZINC000739255632 978624119 /nfs/dbraw/zinc/62/41/19/978624119.db2.gz DELUUXWBQQHDFR-UHFFFAOYSA-N -1 0 338.285 2.878 20 50 EFGDRM O=C([O-])c1cc(OC(=O)CSCc2ccccn2)ccc1[N+](=O)[O-] ZINC000739338109 978629704 /nfs/dbraw/zinc/62/97/04/978629704.db2.gz SGHOAURVKAMJLZ-UHFFFAOYSA-N -1 0 348.336 2.527 20 50 EFGDRM O=C([O-])c1ccc(O)c(C=NNC(=O)NCc2ccc(Cl)cc2)c1 ZINC000739441393 978635600 /nfs/dbraw/zinc/63/56/00/978635600.db2.gz BJCQCTYWGRVQBA-UHFFFAOYSA-N -1 0 347.758 2.577 20 50 EFGDRM O=C([O-])c1ccc(C=NNC(=O)c2cccc(Br)c2)o1 ZINC000739454585 978640186 /nfs/dbraw/zinc/64/01/86/978640186.db2.gz SWEXZWOCINMWAB-UHFFFAOYSA-N -1 0 337.129 2.504 20 50 EFGDRM O=C([O-])NCCCC(=O)NN=C(c1ccccc1)c1ccccc1 ZINC000739956772 978660326 /nfs/dbraw/zinc/66/03/26/978660326.db2.gz 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Cc1cc(C)cc(OCC(=O)NN=Cc2cccc(C(=O)[O-])c2)c1 ZINC000814718721 978876163 /nfs/dbraw/zinc/87/61/63/978876163.db2.gz JTJWAYVCUOKIJP-UHFFFAOYSA-N -1 0 326.352 2.531 20 50 EFGDRM C[C@@H]1C(=NNC(=O)COc2ccc(Cl)cc2)CC[C@H]1CC(=O)[O-] ZINC000814723953 978876806 /nfs/dbraw/zinc/87/68/06/978876806.db2.gz YGAXDJZJSIZAEQ-QWRGUYRKSA-N -1 0 338.791 2.712 20 50 EFGDRM O=C([O-])c1cc(C=NNC(=O)CSc2ccc(Cl)cc2)c[nH]1 ZINC000814731993 978877958 /nfs/dbraw/zinc/87/79/58/978877958.db2.gz SPMAKGLOEOJHLG-UHFFFAOYSA-N -1 0 337.788 2.609 20 50 EFGDRM COc1cc(OC)cc(C(=O)NN=C(C)c2cc(C(=O)[O-])cs2)c1 ZINC000814737883 978878577 /nfs/dbraw/zinc/87/85/77/978878577.db2.gz NTUAOMQGLUSSAB-UHFFFAOYSA-N -1 0 348.380 2.618 20 50 EFGDRM Cc1cccc(O[C@H](C)C(=O)NN=Cc2cccc(C(=O)[O-])c2)c1C ZINC000814748119 978879730 /nfs/dbraw/zinc/87/97/30/978879730.db2.gz IGTZYHUSKPAGFX-CQSZACIVSA-N -1 0 340.379 2.919 20 50 EFGDRM CC(=NNC(=O)C(=O)Nc1ccc(C)cc1)[C@H](C)CCCCC(=O)[O-] ZINC000814767940 978883301 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EFGDRM C[C@H]1CCc2c(C(=O)NN=c3ccc(C(=O)[O-])c[nH]3)csc2C1 ZINC000833618018 979210129 /nfs/dbraw/zinc/21/01/29/979210129.db2.gz XYXQRGWTGBVXSM-VIFPVBQESA-N -1 0 331.397 2.723 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000836719723 979249927 /nfs/dbraw/zinc/24/99/27/979249927.db2.gz XLXMUNQUESWWHB-NWDGAFQWSA-N -1 0 342.233 2.608 20 50 EFGDRM C[C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001592781515 979415245 /nfs/dbraw/zinc/41/52/45/979415245.db2.gz YJGQQTLLHJEMDO-GRYCIOLGSA-N -1 0 332.469 2.572 20 50 EFGDRM C[C@H](Cc1ccccc1F)NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592896042 979793876 /nfs/dbraw/zinc/79/38/76/979793876.db2.gz DLMJRKLSAANMBT-SNVBAGLBSA-N -1 0 349.337 2.920 20 50 EFGDRM CC[C@H](NC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])n1C)c1ccccc1 ZINC001595228207 980083301 /nfs/dbraw/zinc/08/33/01/980083301.db2.gz AATUDQQBFLSHJM-UKYUDJEDSA-N -1 0 337.379 2.898 20 50 EFGDRM CC[C@@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)c1nc(C)cs1 ZINC001595252086 980214987 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O=C([O-])c1cc(C(=O)NNc2c(Cl)cccc2Cl)ccn1 ZINC000833148361 602051791 /nfs/dbraw/zinc/05/17/91/602051791.db2.gz HWGRJOQYNMAHJE-UHFFFAOYSA-N -1 0 326.139 2.844 20 50 EFGDRM COc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1F ZINC000831956727 602126302 /nfs/dbraw/zinc/12/63/02/602126302.db2.gz ZRGXQDNMICJVPY-UHFFFAOYSA-N -1 0 335.243 2.660 20 50 EFGDRM CCO[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(C)C ZINC000829911950 602144736 /nfs/dbraw/zinc/14/47/36/602144736.db2.gz CYEDAHUCXSNSNA-ZDUSSCGKSA-N -1 0 325.317 2.650 20 50 EFGDRM C[C@H](CC(=O)[O-])C(=O)NNc1ccc(Br)cc1Cl ZINC000827303691 602297917 /nfs/dbraw/zinc/29/79/17/602297917.db2.gz IEUBNOXLUCJORK-ZCFIWIBFSA-N -1 0 335.585 2.656 20 50 EFGDRM CC(=NNC(=O)c1cccc(N(C)C)c1)c1ccc(C(=O)[O-])cc1 ZINC000825804632 604635767 /nfs/dbraw/zinc/63/57/67/604635767.db2.gz QAXHDJCLMLPXPG-UHFFFAOYSA-N -1 0 325.368 2.605 20 50 EFGDRM CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(C(=O)[O-])cc1 ZINC000825798262 604636029 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COc1ccc2oc(C(=O)NN=c3ccc(C(=O)[O-])c[nH]3)c(C)c2c1 ZINC000833734888 604801914 /nfs/dbraw/zinc/80/19/14/604801914.db2.gz JKBXHKNVMCJWCE-UHFFFAOYSA-N -1 0 341.323 2.600 20 50 EFGDRM CC(C)(C)O[C@@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1 ZINC000833446257 604802411 /nfs/dbraw/zinc/80/24/11/604802411.db2.gz RTKYZJHHRAWIKM-OAHLLOKOSA-N -1 0 343.383 2.779 20 50 EFGDRM CC(C)(Oc1cccc(Cl)c1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833462792 604804522 /nfs/dbraw/zinc/80/45/22/604804522.db2.gz KLNNESNCMCVUAN-UHFFFAOYSA-N -1 0 349.774 2.734 20 50 EFGDRM COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832097543 604883920 /nfs/dbraw/zinc/88/39/20/604883920.db2.gz GGFCNOMCKJNRIF-UHFFFAOYSA-N -1 0 335.243 2.660 20 50 EFGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1ccccc1Br ZINC000833481201 604934511 /nfs/dbraw/zinc/93/45/11/604934511.db2.gz UWGFABSOKSMQER-LLVKDONJSA-N -1 0 344.209 2.575 20 50 EFGDRM C[C@@H](Sc1ccccc1C(=O)NNc1cccc(C#N)c1)C(=O)[O-] ZINC000833545654 604935718 /nfs/dbraw/zinc/93/57/18/604935718.db2.gz LSFIJCHSDQIXOK-LLVKDONJSA-N -1 0 341.392 2.880 20 50 EFGDRM CCOc1cc(C(=O)NNc2ccc(C)cc2)ccc1OCC(=O)[O-] ZINC000833662061 604945216 /nfs/dbraw/zinc/94/52/16/604945216.db2.gz AUIFBDOUNDIPJH-UHFFFAOYSA-N -1 0 344.367 2.614 20 50 EFGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)CCCc1ccccc1 ZINC000833408913 605040441 /nfs/dbraw/zinc/04/04/41/605040441.db2.gz ZNJLIHKHCJSTLD-CQSZACIVSA-N -1 0 327.384 2.607 20 50 EFGDRM CC[C@@H](C(=O)NN=Cc1cccn1[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000833635929 605040563 /nfs/dbraw/zinc/04/05/63/605040563.db2.gz CDCFRUBCXZBBQS-XJKSGUPXSA-N -1 0 327.384 2.778 20 50 EFGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(Cl)cc1F ZINC000833405776 605040760 /nfs/dbraw/zinc/04/07/60/605040760.db2.gz ILFVNGWUNNDRSN-VIFPVBQESA-N -1 0 337.738 2.690 20 50 EFGDRM COc1ccc(NNC(=O)Cc2ccccc2C(=O)[O-])cc1Cl ZINC000833733133 605244317 /nfs/dbraw/zinc/24/43/17/605244317.db2.gz IGMGDKSNEHBUCK-UHFFFAOYSA-N -1 0 334.759 2.733 20 50 EFGDRM COc1ccc(NNC(=O)c2ccc(C(=O)[O-])s2)cc1Cl ZINC000833733083 605244498 /nfs/dbraw/zinc/24/44/98/605244498.db2.gz DWBPPUMWLHDTQS-UHFFFAOYSA-N -1 0 326.761 2.865 20 50 EFGDRM CC(C)Oc1cncc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000833507743 605245453 /nfs/dbraw/zinc/24/54/53/605245453.db2.gz FZJQXHDTWBYZSA-UHFFFAOYSA-N -1 0 349.774 2.977 20 50 EFGDRM C[C@@H]1CC[C@H](CCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)O1 ZINC000833603745 605249021 /nfs/dbraw/zinc/24/90/21/605249021.db2.gz OSEBZQWIOVXWDW-MWLCHTKSSA-N -1 0 326.780 2.829 20 50 EFGDRM COCc1cccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000833726046 605249436 /nfs/dbraw/zinc/24/94/36/605249436.db2.gz OXGGDMKATWCSNF-UHFFFAOYSA-N -1 0 334.759 2.942 20 50 EFGDRM CCc1ccc(C(=O)NNc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000833669989 605261156 /nfs/dbraw/zinc/26/11/56/605261156.db2.gz OIIGHYRCGAHTDW-UHFFFAOYSA-N -1 0 329.312 2.612 20 50 EFGDRM O=C([O-])c1cc(OC(=O)c2ccnc(C3CC3)c2)ccc1[N+](=O)[O-] ZINC000833785800 605298194 /nfs/dbraw/zinc/29/81/94/605298194.db2.gz XSAHTLXUGAQPCO-UHFFFAOYSA-N -1 0 328.280 2.785 20 50 EFGDRM CC(=NNC(=O)NC1CCCCC1)c1ccccc1OCC(=O)[O-] ZINC000833384840 605322912 /nfs/dbraw/zinc/32/29/12/605322912.db2.gz NRNYOTGTFKMDCL-UHFFFAOYSA-N -1 0 333.388 2.506 20 50 EFGDRM CC(=NNC(=O)c1cc(C)oc1C)c1ccccc1OCC(=O)[O-] ZINC000833384537 605323535 /nfs/dbraw/zinc/32/35/35/605323535.db2.gz KCZYHHDUXHVDFY-UHFFFAOYSA-N -1 0 330.340 2.514 20 50 EFGDRM CC(=NNC(=O)Cc1ccccc1C)c1ccccc1OCC(=O)[O-] ZINC000833385475 605330177 /nfs/dbraw/zinc/33/01/77/605330177.db2.gz ZSKPGVBFPMTVAJ-UHFFFAOYSA-N -1 0 340.379 2.541 20 50 EFGDRM COc1ccc2[nH]c(=NNC(=O)CC(C)(C)CC(=O)[O-])c(C)cc2c1 ZINC000833734921 605412839 /nfs/dbraw/zinc/41/28/39/605412839.db2.gz LEOOQIYBQFWJHJ-UHFFFAOYSA-N -1 0 345.399 2.886 20 50 EFGDRM C#CCOc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833367389 605710849 /nfs/dbraw/zinc/71/08/49/605710849.db2.gz XCYPRUOKWYEBRZ-UHFFFAOYSA-N -1 0 325.324 2.545 20 50 EFGDRM O=C([O-])Nc1ccccc1C(=O)NN=c1nc[nH]c2ccsc21 ZINC000833287199 605711336 /nfs/dbraw/zinc/71/13/36/605711336.db2.gz FRSOMAXTBBABPJ-UHFFFAOYSA-N -1 0 329.341 2.538 20 50 EFGDRM CC(=O)N(C)c1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833389682 605712968 /nfs/dbraw/zinc/71/29/68/605712968.db2.gz SQQTWBLWWXEJAL-UHFFFAOYSA-N -1 0 342.355 2.516 20 50 EFGDRM CC(C)(CC(=O)[O-])CC(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC000833455717 605717645 /nfs/dbraw/zinc/71/76/45/605717645.db2.gz PUWYEZNAYAYZHZ-UHFFFAOYSA-N -1 0 334.294 2.919 20 50 EFGDRM COc1ccc(CCC(=O)NNc2ccccc2C(=O)[O-])cc1F ZINC000833732251 605724652 /nfs/dbraw/zinc/72/46/52/605724652.db2.gz YUWXRKBNAAFFKK-UHFFFAOYSA-N -1 0 332.331 2.608 20 50 EFGDRM COc1ccc(/C=C\C(=O)NNc2cccc(C(=O)[O-])c2)cc1OC ZINC000833732243 605731707 /nfs/dbraw/zinc/73/17/07/605731707.db2.gz JJGGAUBUOGYBAF-CLFYSBASSA-N -1 0 342.351 2.559 20 50 EFGDRM CCCN(CC)c1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cn1 ZINC000833651174 605737838 /nfs/dbraw/zinc/73/78/38/605737838.db2.gz RXWPBOWNLYKWDE-UHFFFAOYSA-N -1 0 342.399 2.773 20 50 EFGDRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)o1 ZINC000833603655 605741639 /nfs/dbraw/zinc/74/16/39/605741639.db2.gz GKELYFAGGRPHNN-YGRLFVJLSA-N -1 0 329.356 2.928 20 50 EFGDRM C=CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000833369784 605743148 /nfs/dbraw/zinc/74/31/48/605743148.db2.gz FHFJJOHRIMCYPO-HNNXBMFYSA-N -1 0 326.356 2.723 20 50 EFGDRM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833422381 605743177 /nfs/dbraw/zinc/74/31/77/605743177.db2.gz FRUQMPZUUYENPK-DZGCQCFKSA-N -1 0 349.431 2.852 20 50 EFGDRM CC(C)n1cc([C@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2)cn1 ZINC000833522185 605743607 /nfs/dbraw/zinc/74/36/07/605743607.db2.gz YCRKYGFSSFGSPZ-NSHDSACASA-N -1 0 331.376 2.550 20 50 EFGDRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833573820 605743990 /nfs/dbraw/zinc/74/39/90/605743990.db2.gz NGKHFHQAAKOMLK-YJBOKZPZSA-N -1 0 325.368 2.741 20 50 EFGDRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833573814 605743997 /nfs/dbraw/zinc/74/39/97/605743997.db2.gz NGKHFHQAAKOMLK-MAUKXSAKSA-N -1 0 325.368 2.741 20 50 EFGDRM CCOc1cc(C)ccc1CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833663516 605747059 /nfs/dbraw/zinc/74/70/59/605747059.db2.gz QHSAEFDAXJLDIZ-UHFFFAOYSA-N -1 0 343.383 2.918 20 50 EFGDRM CC(C)C[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CCO1 ZINC000833481162 605748158 /nfs/dbraw/zinc/74/81/58/605748158.db2.gz TZBATQFMHKXBLS-DZGCQCFKSA-N -1 0 335.404 2.605 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000833424844 605781602 /nfs/dbraw/zinc/78/16/02/605781602.db2.gz XQYLKYPJGVMIKQ-QWRGUYRKSA-N -1 0 346.196 2.877 20 50 EFGDRM Cc1ccc(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826286396 1428221862 /nfs/dbraw/zinc/22/18/62/1428221862.db2.gz AKFRDQBPWGDXTM-UHFFFAOYSA-N -1 0 342.790 2.514 20 50 EFGDRM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000735449023 1428937350 /nfs/dbraw/zinc/93/73/50/1428937350.db2.gz UQPWASWXWPIHJS-UHFFFAOYSA-N -1 0 340.774 2.674 20 50 EFGDRM CC[C@H](CC1CCCC1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825115144 1428982399 /nfs/dbraw/zinc/98/23/99/1428982399.db2.gz UUIHKSVIYWZJRL-CYBMUJFWSA-N -1 0 328.420 2.916 20 50 EFGDRM COc1ccc(C=C(C#N)C(=O)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000821786822 1429325651 /nfs/dbraw/zinc/32/56/51/1429325651.db2.gz KFPBUBDJUWAGOR-NTEUORMPSA-N -1 0 337.383 2.932 20 50 EFGDRM CN(C(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000825812019 1429437105 /nfs/dbraw/zinc/43/71/05/1429437105.db2.gz FXSULGNAHWRTSH-SDNWHVSQSA-N -1 0 336.399 2.565 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000274328525 1423277908 /nfs/dbraw/zinc/27/79/08/1423277908.db2.gz QIUKRJZPHZRBAM-JTQLQIEISA-N -1 0 338.209 2.615 20 50 EFGDRM O=C(NN=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000738128495 1423593392 /nfs/dbraw/zinc/59/33/92/1423593392.db2.gz DMYRKIOWIMRKCS-UHFFFAOYSA-N -1 0 342.362 2.784 20 50 EFGDRM COc1cc(C(C#N)=Cc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826177398 1423727729 /nfs/dbraw/zinc/72/77/29/1423727729.db2.gz GTJZBNSCQCFKQH-JYRVWZFOSA-N -1 0 348.322 2.848 20 50 EFGDRM CC(C)c1ccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735923531 1424830532 /nfs/dbraw/zinc/83/05/32/1424830532.db2.gz LVVNUVFQMNMJDG-UHFFFAOYSA-N -1 0 334.383 2.754 20 50 EFGDRM Cc1ccccc1C(C)(C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826305922 1424885347 /nfs/dbraw/zinc/88/53/47/1424885347.db2.gz LWXZLHJGDQRQBY-UHFFFAOYSA-N -1 0 336.399 2.596 20 50 EFGDRM Cc1cc(C)c(NNC(=O)c2cc(-c3nnn[n-]3)cs2)c(C)c1 ZINC000822193962 1424944678 /nfs/dbraw/zinc/94/46/78/1424944678.db2.gz BNABDAPISSIOHI-UHFFFAOYSA-N -1 0 328.401 2.610 20 50 EFGDRM CCC(Cc1ccccc1)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736350432 1425612744 /nfs/dbraw/zinc/61/27/44/1425612744.db2.gz AJIMWFZZHBNLQY-UHFFFAOYSA-N -1 0 334.383 2.605 20 50 EFGDRM C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820703753 1426176652 /nfs/dbraw/zinc/17/66/52/1426176652.db2.gz JZFPONRUFDOLPA-PFVNGKLPSA-N -1 0 342.428 2.530 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1Cl ZINC000826446889 1426210281 /nfs/dbraw/zinc/21/02/81/1426210281.db2.gz CRCZRTMMUHQHEP-UHFFFAOYSA-N -1 0 349.181 2.930 20 50 EFGDRM Cc1cc2[nH]c(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2c(C)c1 ZINC000826263985 1426857123 /nfs/dbraw/zinc/85/71/23/1426857123.db2.gz YELODTKZRDHQKG-UHFFFAOYSA-N -1 0 347.382 2.722 20 50 EFGDRM CC(C)=C[C@H]1[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000824178485 1426892381 /nfs/dbraw/zinc/89/23/81/1426892381.db2.gz UNMIRVKJUNHTQQ-UONOGXRCSA-N -1 0 326.404 2.548 20 50 EFGDRM CCCC[C@H](CCC)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000821042766 1427305637 /nfs/dbraw/zinc/30/56/37/1427305637.db2.gz HQRSIHIPWVTFHV-ZDUSSCGKSA-N -1 0 331.424 2.852 20 50 EFGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccccc1 ZINC000822795460 1427591309 /nfs/dbraw/zinc/59/13/09/1427591309.db2.gz BDVHFPWCDRSNTA-JYRVWZFOSA-N -1 0 334.314 2.551 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000826447177 1427610948 /nfs/dbraw/zinc/61/09/48/1427610948.db2.gz RMYKMJKWQPTOPZ-UHFFFAOYSA-N -1 0 348.288 2.642 20 50 EFGDRM COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821882676 1427653016 /nfs/dbraw/zinc/65/30/16/1427653016.db2.gz HXEBEUKRQKFACY-CSKARUKUSA-N -1 0 337.364 2.727 20 50 EFGDRM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccccc1F ZINC000826379556 1427826321 /nfs/dbraw/zinc/82/63/21/1427826321.db2.gz VMHLAOSWNBTYQP-XFFZJAGNSA-N -1 0 337.289 2.935 20 50 EFGDRM O=C(CC=Cc1ccc(F)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404780 1427867948 /nfs/dbraw/zinc/86/79/48/1427867948.db2.gz LIKZMQWKGVYITG-OWOJBTEDSA-N -1 0 338.346 2.552 20 50 EFGDRM CC(C)[C@H]1CC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824342589 1428018602 /nfs/dbraw/zinc/01/86/02/1428018602.db2.gz QJVILHJBEMTREQ-MQMHXKEQSA-N -1 0 328.420 2.772 20 50 EFGDRM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826259874 1428090172 /nfs/dbraw/zinc/09/01/72/1428090172.db2.gz KMKZKAFQFHEGPS-UHFFFAOYSA-N -1 0 328.763 2.585 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826446701 1428160192 /nfs/dbraw/zinc/16/01/92/1428160192.db2.gz VHFKSJSNJMFWAZ-BPLDGKMQSA-N -1 0 340.431 2.916 20 50 EFGDRM CCCCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821056454 1430222969 /nfs/dbraw/zinc/22/29/69/1430222969.db2.gz RVVJNRQUUBLIEZ-LUAWRHEFSA-N -1 0 330.417 2.532 20 50 EFGDRM CCC[C@H](C)C(=O)C(C#N)=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736420346 1441540777 /nfs/dbraw/zinc/54/07/77/1441540777.db2.gz RXYHMTBUCROTFP-ZWSXMNCCSA-N -1 0 325.372 2.788 20 50 EFGDRM CC[C@H](CC1CCCC1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825113763 1441616968 /nfs/dbraw/zinc/61/69/68/1441616968.db2.gz FTTLFRXZJALGOA-CYBMUJFWSA-N -1 0 328.420 2.916 20 50 EFGDRM Cc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822242501 1441640365 /nfs/dbraw/zinc/64/03/65/1441640365.db2.gz MYSMKKMXPYLSBK-IZZDOVSWSA-N -1 0 336.380 2.782 20 50 EFGDRM CC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000823944010 1442158002 /nfs/dbraw/zinc/15/80/02/1442158002.db2.gz WUYFMILCBIDKDT-PKNBQFBNSA-N -1 0 338.346 2.552 20 50 EFGDRM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCCC(C)(C)C2)o1 ZINC000824352555 1442411913 /nfs/dbraw/zinc/41/19/13/1442411913.db2.gz IHWZGFKENXUDPH-JTQLQIEISA-N -1 0 347.423 2.638 20 50 EFGDRM N#CC(C(=O)c1cccc(-c2nn[n-]n2)c1)=C1COc2ccc(F)cc21 ZINC000826379612 1442453815 /nfs/dbraw/zinc/45/38/15/1442453815.db2.gz WYXGHCHWBBILRE-PFONDFGASA-N -1 0 347.309 2.558 20 50 EFGDRM Cc1ccc(CCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826287395 1442456599 /nfs/dbraw/zinc/45/65/99/1442456599.db2.gz NHWCOGPPRRWTIG-UHFFFAOYSA-N -1 0 336.399 2.641 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)F)c1 ZINC000826447089 1443077030 /nfs/dbraw/zinc/07/70/30/1443077030.db2.gz MFCRCTVRLJGACF-UHFFFAOYSA-N -1 0 330.298 2.561 20 50 EFGDRM CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736420343 1443136570 /nfs/dbraw/zinc/13/65/70/1443136570.db2.gz RXYHMTBUCROTFP-JYVXZMADSA-N -1 0 325.372 2.788 20 50 EFGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Cl)c1F ZINC000826447879 1443203589 /nfs/dbraw/zinc/20/35/89/1443203589.db2.gz AAPCKEFTMHXODX-UHFFFAOYSA-N -1 0 347.741 2.808 20 50 EFGDRM CC[C@@H](Cc1ccccc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825128587 1443254572 /nfs/dbraw/zinc/25/45/72/1443254572.db2.gz VYQYWVJFOQQYBC-AWEZNQCLSA-N -1 0 336.399 2.579 20 50 EFGDRM C[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000824040376 1443351471 /nfs/dbraw/zinc/35/14/71/1443351471.db2.gz OSEVOFLEVLLBRP-MRVPVSSYSA-N -1 0 348.819 2.828 20 50 EFGDRM C[C@@H](C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824385057 1443457017 /nfs/dbraw/zinc/45/70/17/1443457017.db2.gz KOMAFGPJMMXFOW-NSHDSACASA-N -1 0 338.346 2.525 20 50 EFGDRM O=C(CC=Cc1cccc(F)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826405041 1443639308 /nfs/dbraw/zinc/63/93/08/1443639308.db2.gz UDSILHNUVXOSQG-GORDUTHDSA-N -1 0 338.346 2.552 20 50 EFGDRM Cc1ccsc1CCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826316448 1443660634 /nfs/dbraw/zinc/66/06/34/1443660634.db2.gz ONNWZJOGDSIDNE-UHFFFAOYSA-N -1 0 342.428 2.703 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)[nH]1 ZINC000826447162 1443688549 /nfs/dbraw/zinc/68/85/49/1443688549.db2.gz QRXFBQVXVSZZEZ-UHFFFAOYSA-N -1 0 345.366 2.619 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)CCCC2 ZINC000826447060 1446461460 /nfs/dbraw/zinc/46/14/60/1446461460.db2.gz LIAZPHQUWQBFOB-UHFFFAOYSA-N -1 0 340.412 2.564 20 50 EFGDRM O=C(C=Cc1ccc2[nH]ccc2c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826400802 1447145805 /nfs/dbraw/zinc/14/58/05/1447145805.db2.gz IQULUENASRXAFE-KRXBUXKQSA-N -1 0 345.366 2.505 20 50 EFGDRM COc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821854713 1449374000 /nfs/dbraw/zinc/37/40/00/1449374000.db2.gz SJMVZVMQOKKACV-AUWJEWJLSA-N -1 0 349.325 2.804 20 50 EFGDRM CCC[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825225773 1449601777 /nfs/dbraw/zinc/60/17/77/1449601777.db2.gz XJIWLDODZOTDDN-MRXNPFEDSA-N -1 0 336.399 2.894 20 50 EFGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc2cccc(F)c2o1 ZINC000826448647 1449731245 /nfs/dbraw/zinc/73/12/45/1449731245.db2.gz FCYOEDCBNOOWDB-UHFFFAOYSA-N -1 0 338.302 2.509 20 50 EFGDRM N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379680 1449845024 /nfs/dbraw/zinc/84/50/24/1449845024.db2.gz YOPNZPPKFDEPLC-RIYZIHGNSA-N -1 0 346.306 2.565 20 50 EFGDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1cccc(Cl)c1C ZINC000826249832 1449943302 /nfs/dbraw/zinc/94/33/02/1449943302.db2.gz XFHKFBIPSUAIIQ-UHFFFAOYSA-N -1 0 342.790 2.894 20 50 EFGDRM Cc1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000826296466 1450025844 /nfs/dbraw/zinc/02/58/44/1450025844.db2.gz YDGAZVSSRPWNNH-UHFFFAOYSA-N -1 0 328.763 2.585 20 50 EFGDRM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccccc1 ZINC000819772797 1450404112 /nfs/dbraw/zinc/40/41/12/1450404112.db2.gz LTQHQNSYVMPPET-LBPRGKRZSA-N -1 0 334.383 2.776 20 50 EFGDRM Cc1ccc(NNC(=O)c2ccc(OCC(=O)[O-])cc2)c(Cl)c1 ZINC001600462073 970811369 /nfs/dbraw/zinc/81/13/69/970811369.db2.gz UBGUFMQPAOLMER-UHFFFAOYSA-N -1 0 334.759 2.869 20 50 EFGDRM O=C([O-])c1ccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001601558678 971016077 /nfs/dbraw/zinc/01/60/77/971016077.db2.gz AIUUPJIZRXSZDT-UHFFFAOYSA-N -1 0 334.263 2.581 20 50 EFGDRM C=CCSc1ccccc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001602728850 971397260 /nfs/dbraw/zinc/39/72/60/971397260.db2.gz KFPSHXKWQJEQMH-UHFFFAOYSA-N -1 0 329.381 2.815 20 50 EFGDRM CC(=Cc1cccc(Cl)c1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001602736353 971423460 /nfs/dbraw/zinc/42/34/60/971423460.db2.gz QQFMSMFWNPFHPL-NTMALXAHSA-N -1 0 331.759 2.980 20 50 EFGDRM CC(=Cc1cccc(Cl)c1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001602736352 971423567 /nfs/dbraw/zinc/42/35/67/971423567.db2.gz QQFMSMFWNPFHPL-CSKARUKUSA-N -1 0 331.759 2.980 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)cc1 ZINC001595220779 949240597 /nfs/dbraw/zinc/24/05/97/949240597.db2.gz DPCITBZPPRZXIU-UHFFFAOYSA-N -1 0 334.331 2.613 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNc2cc(C(F)(F)F)ccn2)cc1 ZINC001595220878 949242211 /nfs/dbraw/zinc/24/22/11/949242211.db2.gz MUPVGXWRFQWYHL-UHFFFAOYSA-N -1 0 325.246 2.556 20 50 EFGDRM CCCN(NC(=O)c1coc(/C=C/C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC001589673249 949953414 /nfs/dbraw/zinc/95/34/14/949953414.db2.gz CBQZXROWHNVEJF-VOTSOKGWSA-N -1 0 338.360 2.669 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCCC(=O)[O-])c1C ZINC001589694788 950155640 /nfs/dbraw/zinc/15/56/40/950155640.db2.gz NRTCAWCQOSEJPH-WJDWOHSUSA-N -1 0 331.416 2.793 20 50 EFGDRM CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001592426122 951328464 /nfs/dbraw/zinc/32/84/64/951328464.db2.gz MLMLUQMJFYOQIM-LCYFTJDESA-N -1 0 337.335 2.724 20 50 EFGDRM CCOc1ccc(NC(=O)NN=c2[nH]cccc2C(=O)[O-])c(C)c1 ZINC001592704553 951355823 /nfs/dbraw/zinc/35/58/23/951355823.db2.gz DBCKVPZQKQSITI-UHFFFAOYSA-N -1 0 330.344 2.636 20 50 EFGDRM O=C([O-])Cc1ccc(OS(=O)(=O)c2ccc(CCl)cc2)cc1 ZINC001595130788 952032265 /nfs/dbraw/zinc/03/22/65/952032265.db2.gz OTIWTSSPAQPYPP-UHFFFAOYSA-N -1 0 340.784 2.820 20 50 EFGDRM CCSc1ccccc1CC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001593598576 953390294 /nfs/dbraw/zinc/39/02/94/953390294.db2.gz QIJAQSWNFWNVDZ-UHFFFAOYSA-N -1 0 331.397 2.578 20 50 EFGDRM N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)NCc1ccc(F)cc1F ZINC000490702116 953530837 /nfs/dbraw/zinc/53/08/37/953530837.db2.gz YJOBPHPXDQQUNO-AUWJEWJLSA-N -1 0 342.301 2.886 20 50 EFGDRM CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cccc(C(=O)[O-])c2)cc1 ZINC000490906235 953531634 /nfs/dbraw/zinc/53/16/34/953531634.db2.gz BSPSCUNHHKLAMI-XNTDXEJSSA-N -1 0 349.346 2.889 20 50 EFGDRM O=C([O-])c1ccccc1NC(=O)NNc1c(F)cc(F)cc1F ZINC001594780058 953622265 /nfs/dbraw/zinc/62/22/65/953622265.db2.gz GCZMXKAIPIWRPC-UHFFFAOYSA-N -1 0 325.246 2.951 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1ccc(C(F)F)cc1F ZINC001594781171 953630203 /nfs/dbraw/zinc/63/02/03/953630203.db2.gz IGQWYXHMEJJHQH-UHFFFAOYSA-N -1 0 325.246 2.613 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Nc1cccc(OC(F)F)c1 ZINC001594782241 953643298 /nfs/dbraw/zinc/64/32/98/953643298.db2.gz UHVBWQSEHKFWIE-UHFFFAOYSA-N -1 0 338.270 2.530 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1 ZINC001594783244 953654738 /nfs/dbraw/zinc/65/47/38/953654738.db2.gz XFVQCPPJOTXAHZ-UHFFFAOYSA-N -1 0 333.731 2.505 20 50 EFGDRM O=C([O-])[C@@H](C(=O)NNc1cc(Cl)nc(Cl)c1)C1CCCC1 ZINC001594836262 954027230 /nfs/dbraw/zinc/02/72/30/954027230.db2.gz RSLYZEREJVYDDY-LLVKDONJSA-N -1 0 332.187 2.723 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2cccc(F)c2Cl)CCSCC1 ZINC001594867085 954318817 /nfs/dbraw/zinc/31/88/17/954318817.db2.gz IAZQFJLQAKFPGE-UHFFFAOYSA-N -1 0 332.784 2.520 20 50 EFGDRM CC[C@H](CNC(=O)NN=c1[nH]c2ccc(Cl)cc2s1)C(=O)[O-] ZINC001589539175 955188438 /nfs/dbraw/zinc/18/84/38/955188438.db2.gz RGYUEABGIMYYNV-SSDOTTSWSA-N -1 0 342.808 2.687 20 50 EFGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738922085 955252430 /nfs/dbraw/zinc/25/24/30/955252430.db2.gz FMCYOJICWOXAJH-UHFFFAOYSA-N -1 0 339.754 2.828 20 50 EFGDRM O=C([O-])C1CCC(NC(=O)NNc2ccccc2C(F)(F)F)CC1 ZINC000739453936 955253544 /nfs/dbraw/zinc/25/35/44/955253544.db2.gz NJFWFXZBQUZXCL-UHFFFAOYSA-N -1 0 345.321 2.975 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)NCCCC(=O)[O-])c(C)n1CC(C)C ZINC000818814256 955424515 /nfs/dbraw/zinc/42/45/15/955424515.db2.gz LVBRFNYDRDWACU-SXGWCWSVSA-N -1 0 331.416 2.649 20 50 EFGDRM Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000821076226 955489631 /nfs/dbraw/zinc/48/96/31/955489631.db2.gz YZXKRJGFRQNYDH-UHFFFAOYSA-N -1 0 343.408 2.633 20 50 EFGDRM O=C([O-])c1cccc(CNC(=O)NNc2cc(F)c(F)c(F)c2)c1 ZINC000821446578 955504235 /nfs/dbraw/zinc/50/42/35/955504235.db2.gz XTDIQOQLLFOAPK-UHFFFAOYSA-N -1 0 339.273 2.628 20 50 EFGDRM O=C([O-])Cc1cccc(NC(=O)NNc2ccc(F)c(F)c2F)c1 ZINC000821537536 955514647 /nfs/dbraw/zinc/51/46/47/955514647.db2.gz IOESWOUIHNGGLX-UHFFFAOYSA-N -1 0 339.273 2.880 20 50 EFGDRM C[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001589076259 955814439 /nfs/dbraw/zinc/81/44/39/955814439.db2.gz IIVDOGKEQNOLBZ-JTQLQIEISA-N -1 0 340.452 2.742 20 50 EFGDRM CO[C@@](C)(C(=O)[O-])C(=O)NNc1c(Cl)cc(Cl)cc1Cl ZINC000852948671 955867417 /nfs/dbraw/zinc/86/74/17/955867417.db2.gz HPPPEEQAICRYCW-LLVKDONJSA-N -1 0 341.578 2.580 20 50 EFGDRM C[C@]1(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C[C@@H]1Br ZINC001589181562 956525289 /nfs/dbraw/zinc/52/52/89/956525289.db2.gz OIWBGMVDKCBYSH-OXIQGZBJSA-N -1 0 338.201 2.589 20 50 EFGDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC001589220171 956765443 /nfs/dbraw/zinc/76/54/43/956765443.db2.gz XGKWVJGWUFKLAP-CYBMUJFWSA-N -1 0 332.278 2.529 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000902858912 956828607 /nfs/dbraw/zinc/82/86/07/956828607.db2.gz AZUUSEMHPZZOAY-WDEREUQCSA-N -1 0 346.196 2.877 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000902858911 956828951 /nfs/dbraw/zinc/82/89/51/956828951.db2.gz AZUUSEMHPZZOAY-QWRGUYRKSA-N -1 0 346.196 2.877 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001594705429 956838634 /nfs/dbraw/zinc/83/86/34/956838634.db2.gz PNNPDHJWWCAAJI-UHFFFAOYSA-N -1 0 340.166 2.772 20 50 EFGDRM C[C@@]1(CNC(=O)Nc2ccccc2C(=O)[O-])C[C@H]1Br ZINC001589246509 956928412 /nfs/dbraw/zinc/92/84/12/956928412.db2.gz GXNFROHBIOPHIW-MFKMUULPSA-N -1 0 327.178 2.680 20 50 EFGDRM C[C@]1(CNC(=O)Nc2ccccc2CC(=O)[O-])C[C@H]1Br ZINC001589246570 956930918 /nfs/dbraw/zinc/93/09/18/956930918.db2.gz INSXTPISEMILEB-BXUZGUMPSA-N -1 0 341.205 2.609 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)n1CC(C)C ZINC001594300420 957900845 /nfs/dbraw/zinc/90/08/45/957900845.db2.gz JMOHXVYVLJFYLN-MFJXJQMRSA-N -1 0 343.427 2.647 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)CCC(=O)[O-])c(C)n1CC(C)C ZINC001594301151 957911904 /nfs/dbraw/zinc/91/19/04/957911904.db2.gz LTDKZPIXJNMDSX-SXGWCWSVSA-N -1 0 331.416 2.601 20 50 EFGDRM COc1cc(NNC(=O)c2coc(/C=C/C(=O)[O-])c2)ccc1Cl ZINC001594066492 958136798 /nfs/dbraw/zinc/13/67/98/958136798.db2.gz NRRBPRAOCXURLO-HWKANZROSA-N -1 0 336.731 2.796 20 50 EFGDRM Cc1cc(NNC(=O)c2cccc(OCC(=O)[O-])c2)ccc1Cl ZINC001594325116 958158628 /nfs/dbraw/zinc/15/86/28/958158628.db2.gz ALMRWTDHEBZVJY-UHFFFAOYSA-N -1 0 334.759 2.869 20 50 EFGDRM Cc1ccc(Cl)cc1NNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001594365978 958489217 /nfs/dbraw/zinc/48/92/17/958489217.db2.gz BUDLPUGCPMJFTJ-UHFFFAOYSA-N -1 0 334.759 2.869 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)NCC(=O)[O-])c(C)n1-c1ccccc1C ZINC001594413617 958972529 /nfs/dbraw/zinc/97/25/29/958972529.db2.gz GEZKETHHCTUFTM-SXGWCWSVSA-N -1 0 337.379 2.510 20 50 EFGDRM COc1ccc(/C=C/C(=O)NNc2ccccc2C(=O)[O-])cc1OC ZINC000142798578 958980478 /nfs/dbraw/zinc/98/04/78/958980478.db2.gz JZFDURABUODBOI-CSKARUKUSA-N -1 0 342.351 2.559 20 50 EFGDRM Cc1cccc2sc(=NNC(=O)[C@H](C(=O)[O-])C3CCCC3)[nH]c21 ZINC001594413985 958981831 /nfs/dbraw/zinc/98/18/31/958981831.db2.gz QIQKFYGVFFRDDV-GFCCVEGCSA-N -1 0 333.413 2.939 20 50 EFGDRM CSCCc1ccc(NC(=O)NN=c2[nH]cccc2C(=O)[O-])cc1 ZINC001594188209 959140546 /nfs/dbraw/zinc/14/05/46/959140546.db2.gz QJQGLRDQQWDPED-UHFFFAOYSA-N -1 0 346.412 2.834 20 50 EFGDRM CSSCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594188639 959144454 /nfs/dbraw/zinc/14/44/54/959144454.db2.gz BPHVNTRVEONYNB-QWHCGFSZSA-N -1 0 340.470 2.507 20 50 EFGDRM CSc1cc(NC(=O)NN=c2[nH]cccc2C(=O)[O-])ccc1C ZINC001594189603 959160713 /nfs/dbraw/zinc/16/07/13/959160713.db2.gz JFLSWDOWPXDQLV-UHFFFAOYSA-N -1 0 332.385 2.959 20 50 EFGDRM CC(C)(C(=O)NN=c1[nH]cccc1C(=O)[O-])c1cccc(Cl)c1 ZINC001588609681 959498590 /nfs/dbraw/zinc/49/85/90/959498590.db2.gz APZSQLBQYYBLNK-UHFFFAOYSA-N -1 0 333.775 2.854 20 50 EFGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC001588634420 959638160 /nfs/dbraw/zinc/63/81/60/959638160.db2.gz PQSJRFWASCVEBU-SNVBAGLBSA-N -1 0 334.294 2.775 20 50 EFGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12 ZINC001588639322 959674082 /nfs/dbraw/zinc/67/40/82/959674082.db2.gz BFJYEOHBXHFRKX-LBPRGKRZSA-N -1 0 332.312 2.795 20 50 EFGDRM N#C/C(=C/c1ccc(OCC(=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000212120272 959706501 /nfs/dbraw/zinc/70/65/01/959706501.db2.gz KHLTZVOOKWXOTC-UVTDQMKNSA-N -1 0 338.367 2.532 20 50 EFGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC001588739534 961155249 /nfs/dbraw/zinc/15/52/49/961155249.db2.gz UHVPFXDGSGZOPH-STQMWFEESA-N -1 0 327.497 2.720 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])C(C)C)c1C ZINC001573867179 961200544 /nfs/dbraw/zinc/20/05/44/961200544.db2.gz UVJMMYYLSHJTAM-SXGWCWSVSA-N -1 0 331.416 2.744 20 50 EFGDRM Cc1sc(NC(=O)NN=c2[nH]cccc2C(=O)[O-])nc1C(C)C ZINC001574446304 961448223 /nfs/dbraw/zinc/44/82/23/961448223.db2.gz JHASJVQKCPCVPI-UHFFFAOYSA-N -1 0 335.389 2.817 20 50 EFGDRM Cn1c2ccccc2sc1=NNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001574446519 961450256 /nfs/dbraw/zinc/45/02/56/961450256.db2.gz PPSVZMQJVVTPFN-UHFFFAOYSA-N -1 0 347.440 2.597 20 50 EFGDRM Cc1oc(CNC(=O)[C@@H](Br)C(C)(C)C)cc1C(=O)[O-] ZINC001332132411 961471140 /nfs/dbraw/zinc/47/11/40/961471140.db2.gz PTQMSDNGCZAMLE-SNVBAGLBSA-N -1 0 332.194 2.712 20 50 EFGDRM O=C(C=Cc1nc2ccccc2s1)NNc1ncccc1C(=O)[O-] ZINC001574517118 961851382 /nfs/dbraw/zinc/85/13/82/961851382.db2.gz XTZBIIKYKULEBV-FPLPWBNLSA-N -1 0 340.364 2.546 20 50 EFGDRM COC(=O)c1cccc(NNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001574090692 962342365 /nfs/dbraw/zinc/34/23/65/962342365.db2.gz GKJBGCCEFBKULF-UHFFFAOYSA-N -1 0 343.339 2.628 20 50 EFGDRM CC(C)c1c(Cl)ncnc1NNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001588963585 962638772 /nfs/dbraw/zinc/63/87/72/962638772.db2.gz SAWJZJUILWYCAM-UHFFFAOYSA-N -1 0 334.763 2.709 20 50 EFGDRM O=C([O-])COc1ccc(C(=O)NNc2cccc3c2CCCC3)cc1 ZINC001574732344 962848399 /nfs/dbraw/zinc/84/83/99/962848399.db2.gz MESMCNRUZNLOTB-UHFFFAOYSA-N -1 0 340.379 2.786 20 50 EFGDRM C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)NC2CCCC2)cc1)C(=O)[O-] ZINC000285330568 962882253 /nfs/dbraw/zinc/88/22/53/962882253.db2.gz LKMGMPYAXZINQE-HLVNSREUSA-N -1 0 328.368 2.504 20 50 EFGDRM N#C/C(=C/c1c(F)ccc(I)c1F)C(=O)[O-] ZINC000309666330 963362618 /nfs/dbraw/zinc/36/26/18/963362618.db2.gz HYQAHDZRTFAYFL-HYXAFXHYSA-N -1 0 335.047 2.561 20 50 EFGDRM N#C/C(=C\c1c(F)ccc(I)c1F)C(=O)[O-] ZINC000309666328 963362861 /nfs/dbraw/zinc/36/28/61/963362861.db2.gz HYQAHDZRTFAYFL-HWKANZROSA-N -1 0 335.047 2.561 20 50 EFGDRM Cc1cc(Br)ccc1NNC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001605101894 972754957 /nfs/dbraw/zinc/75/49/57/972754957.db2.gz GQNYDKBLOOEWAF-CQSZACIVSA-N -1 0 341.205 2.702 20 50 EFGDRM Cc1nc(-c2ccco2)ccc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001605393302 973365289 /nfs/dbraw/zinc/36/52/89/973365289.db2.gz GEAWLWLSWRTMAN-UHFFFAOYSA-N -1 0 338.323 2.500 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(Cl)c2ncccc12 ZINC001606528563 974036145 /nfs/dbraw/zinc/03/61/45/974036145.db2.gz MMQAZEMIZGKUHF-UHFFFAOYSA-N -1 0 342.742 2.738 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@H]2C(=O)[O-])c1C ZINC001603698491 974091834 /nfs/dbraw/zinc/09/18/34/974091834.db2.gz CRSITXPHPMYZFF-YTBHAWNYSA-N -1 0 343.427 2.888 20 50 EFGDRM C[C@H](Oc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1)C(=O)[O-] ZINC000490941589 974256116 /nfs/dbraw/zinc/25/61/16/974256116.db2.gz LKMGMPYAXZINQE-GVIGZQTCSA-N -1 0 328.368 2.504 20 50 EFGDRM CCOC(=O)c1ccc(NNC(=O)C(CC)(CC)C(=O)[O-])cc1C ZINC001603814142 974290765 /nfs/dbraw/zinc/29/07/65/974290765.db2.gz DMDLQTCFDHDWGE-UHFFFAOYSA-N -1 0 336.388 2.506 20 50 EFGDRM CCc1c2ccccc2oc1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001603966685 974441285 /nfs/dbraw/zinc/44/12/85/974441285.db2.gz KADZLEIYAUYQLZ-UHFFFAOYSA-N -1 0 325.324 2.845 20 50 EFGDRM CCc1cc(Br)ccc1NNC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001603968155 974448441 /nfs/dbraw/zinc/44/84/41/974448441.db2.gz TVRHEILCDQZTBM-WDEREUQCSA-N -1 0 341.205 2.565 20 50 EFGDRM CC(C)O[C@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)C1(C)C ZINC001591697244 975544892 /nfs/dbraw/zinc/54/48/92/975544892.db2.gz YHQZVKMESCQDGT-CABCVRRESA-N -1 0 349.431 2.532 20 50 EFGDRM CC(C)Oc1cc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)ccn1 ZINC001591756795 975829294 /nfs/dbraw/zinc/82/92/94/975829294.db2.gz KOEIGFLOAOKONR-UHFFFAOYSA-N -1 0 348.334 2.855 20 50 EFGDRM CC(C)Oc1cccc(CC(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001591792120 975993920 /nfs/dbraw/zinc/99/39/20/975993920.db2.gz HDIFSUWJOUDUPD-UHFFFAOYSA-N -1 0 346.358 2.997 20 50 EFGDRM C[C@H](CC(=O)NNc1ccc(CC(=O)[O-])cc1)C(=O)c1ccccc1 ZINC001592251611 977479601 /nfs/dbraw/zinc/47/96/01/977479601.db2.gz GGOUXQCPFRDBHX-CYBMUJFWSA-N -1 0 340.379 2.666 20 50 EFGDRM C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001592436705 978075636 /nfs/dbraw/zinc/07/56/36/978075636.db2.gz CNAVEOXVIRXAFW-NSHDSACASA-N -1 0 344.342 2.876 20 50 EFGDRM C[C@H](CC(=O)c1ccc(F)cc1)C(=O)NNc1ccccc1C(=O)[O-] ZINC001592437927 978080736 /nfs/dbraw/zinc/08/07/36/978080736.db2.gz NJAVBTHTAWNNMP-LLVKDONJSA-N -1 0 344.342 2.876 20 50 EFGDRM C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)NNc1ccccc1C(=O)[O-] ZINC001592437928 978080829 /nfs/dbraw/zinc/08/08/29/978080829.db2.gz NJAVBTHTAWNNMP-NSHDSACASA-N -1 0 344.342 2.876 20 50 EFGDRM CC(CCCOc1ccc(Cl)c(C)c1)=NNC(=O)NCC(=O)[O-] ZINC001592492660 978287951 /nfs/dbraw/zinc/28/79/51/978287951.db2.gz WHWNPRULXFFDPJ-UHFFFAOYSA-N -1 0 341.795 2.567 20 50 EFGDRM N#C/C(=C\c1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccn1 ZINC000731562299 978298704 /nfs/dbraw/zinc/29/87/04/978298704.db2.gz AHAJZIXPQZMYPA-KPKJPENVSA-N -1 0 325.280 2.517 20 50 EFGDRM CC[C@H](C(=O)NN=Cc1ccccc1OCC(=O)[O-])c1ccccc1 ZINC000731931281 978299665 /nfs/dbraw/zinc/29/96/65/978299665.db2.gz DLBVTHOYWAZXFK-INIZCTEOSA-N -1 0 340.379 2.794 20 50 EFGDRM CC(C)(NC(=O)[O-])C(=O)NN=C(c1ccccc1)c1ccccc1 ZINC000736336518 978319915 /nfs/dbraw/zinc/31/99/15/978319915.db2.gz GSGILFUACRUSPN-UHFFFAOYSA-N -1 0 325.368 2.601 20 50 EFGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1cccc(C(F)(F)F)c1 ZINC000736414083 978331050 /nfs/dbraw/zinc/33/10/50/978331050.db2.gz CCSXXAREDYPRIR-LLVKDONJSA-N -1 0 333.310 2.831 20 50 EFGDRM C[C@@H](Oc1cccc(F)c1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736704218 978351395 /nfs/dbraw/zinc/35/13/95/978351395.db2.gz PVPNJFKKBWZRGD-SECBINFHSA-N -1 0 349.270 2.805 20 50 EFGDRM CC[C@@H](C(=O)NNC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000736849197 978361676 /nfs/dbraw/zinc/36/16/76/978361676.db2.gz PRYYWDSEUVMYSS-OAHLLOKOSA-N -1 0 341.367 2.731 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1C ZINC000737050128 978376463 /nfs/dbraw/zinc/37/64/63/978376463.db2.gz KAKYVFFFPLQNNO-JVVYVMHDSA-N -1 0 343.427 2.791 20 50 EFGDRM CCN(CCC(=O)[O-])C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C ZINC000737093115 978378318 /nfs/dbraw/zinc/37/83/18/978378318.db2.gz BFTWTINEFUHWDM-LICLKQGHSA-N -1 0 345.443 2.991 20 50 EFGDRM CCN(CCC(=O)[O-])C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C ZINC000737093122 978378770 /nfs/dbraw/zinc/37/87/70/978378770.db2.gz BFTWTINEFUHWDM-YVLHZVERSA-N -1 0 345.443 2.991 20 50 EFGDRM CCO[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000737156629 978383542 /nfs/dbraw/zinc/38/35/42/978383542.db2.gz OGAXZZIIQXIUKI-OAHLLOKOSA-N -1 0 345.307 2.976 20 50 EFGDRM CCS[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(C)C ZINC000737228533 978389906 /nfs/dbraw/zinc/38/99/06/978389906.db2.gz CBURZEWZEZAAJI-LBPRGKRZSA-N -1 0 327.358 2.976 20 50 EFGDRM CCc1nc(C)c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)s1 ZINC000737280080 978393861 /nfs/dbraw/zinc/39/38/61/978393861.db2.gz AKUBXAANGYRNGY-UHFFFAOYSA-N -1 0 336.325 2.840 20 50 EFGDRM CO[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000737724084 978439849 /nfs/dbraw/zinc/43/98/49/978439849.db2.gz UWNCOIFOSASPGS-CQSZACIVSA-N -1 0 331.280 2.586 20 50 EFGDRM COc1ccc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737983286 978464270 /nfs/dbraw/zinc/46/42/70/978464270.db2.gz SPTFQECSIBHFTM-WTKPLQERSA-N -1 0 343.291 2.920 20 50 EFGDRM Cc1[nH]c(C(=O)NNc2cc(F)c(F)cc2F)c(C)c1C(=O)[O-] ZINC000738157276 978488518 /nfs/dbraw/zinc/48/85/18/978488518.db2.gz PZACYOVAVAAJNR-UHFFFAOYSA-N -1 0 327.262 2.504 20 50 EFGDRM Cc1ccc(C(=O)[O-])cc1NC(=O)NNc1ccccc1[N+](=O)[O-] ZINC000738535738 978552688 /nfs/dbraw/zinc/55/26/88/978552688.db2.gz PDPPIPARPSHPAY-UHFFFAOYSA-N -1 0 330.300 2.750 20 50 EFGDRM O=C([O-])Nc1ccc(C(=O)NNc2cc(F)c(F)cc2F)cc1 ZINC000738660340 978584033 /nfs/dbraw/zinc/58/40/33/978584033.db2.gz IVYTYFITJBHIKL-UHFFFAOYSA-N -1 0 325.246 2.951 20 50 EFGDRM Cc1ccc(SCC(=O)NN=Cc2cc(C(=O)[O-])ccc2O)cc1 ZINC000738667607 978584441 /nfs/dbraw/zinc/58/44/41/978584441.db2.gz BBRDIWVYQCFXQF-UHFFFAOYSA-N -1 0 344.392 2.641 20 50 EFGDRM Cc1ccc(SCC(=O)NN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738667987 978585377 /nfs/dbraw/zinc/58/53/77/978585377.db2.gz OPILBELJFARHMN-INIZCTEOSA-N -1 0 348.399 2.673 20 50 EFGDRM Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000738923472 978609826 /nfs/dbraw/zinc/60/98/26/978609826.db2.gz WMXRCMRTYJYYFN-CYBMUJFWSA-N -1 0 347.802 2.567 20 50 EFGDRM N#CCc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000739090930 978616838 /nfs/dbraw/zinc/61/68/38/978616838.db2.gz ALCAJVRVWOVUAT-UHFFFAOYSA-N -1 0 326.264 2.578 20 50 EFGDRM N#Cc1ccc(C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)cc1 ZINC000739102338 978617262 /nfs/dbraw/zinc/61/72/62/978617262.db2.gz VFYTYMYQVMITQG-UHFFFAOYSA-N -1 0 332.319 2.502 20 50 EFGDRM N#Cc1cccc(NNC(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000739133808 978619206 /nfs/dbraw/zinc/61/92/06/978619206.db2.gz PLRMAALUHPUBPT-UHFFFAOYSA-N -1 0 339.355 2.517 20 50 EFGDRM O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739234880 978622630 /nfs/dbraw/zinc/62/26/30/978622630.db2.gz ZQDAMJZSKHYROY-NWDGAFQWSA-N -1 0 332.491 2.959 20 50 EFGDRM O=C([O-])c1ccc(CCC(=O)NNc2ccc(F)c(F)c2F)cc1 ZINC000739256492 978624713 /nfs/dbraw/zinc/62/47/13/978624713.db2.gz WWDGZGNBBITNAA-UHFFFAOYSA-N -1 0 338.285 2.878 20 50 EFGDRM O=C([O-])c1cc(OC(=O)Cc2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] ZINC000739347309 978631218 /nfs/dbraw/zinc/63/12/18/978631218.db2.gz YUQSMXIRXLJSIX-UHFFFAOYSA-N -1 0 341.319 2.930 20 50 EFGDRM O=C([O-])c1ccccc1-c1ccc(C=NNC(=O)Cc2ccccn2)o1 ZINC000739349403 978631461 /nfs/dbraw/zinc/63/14/61/978631461.db2.gz MDZILFOTZIBRNE-UHFFFAOYSA-N -1 0 349.346 2.733 20 50 EFGDRM O=C([O-])Nc1cccc(C(=O)NNc2ccc(F)c(F)c2F)c1 ZINC000740034073 978664079 /nfs/dbraw/zinc/66/40/79/978664079.db2.gz RECCLFVLNFEEPQ-UHFFFAOYSA-N -1 0 325.246 2.951 20 50 EFGDRM O=C([O-])c1cc(OC(=O)[C@@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000740088095 978667268 /nfs/dbraw/zinc/66/72/68/978667268.db2.gz QDTQPGNYGSEPCP-GFCCVEGCSA-N -1 0 343.291 2.765 20 50 EFGDRM O=C([O-])c1cc(OC(=O)c2cnc(C3CC3)s2)ccc1[N+](=O)[O-] ZINC000740307000 978674490 /nfs/dbraw/zinc/67/44/90/978674490.db2.gz GPOZSLNGMDNELI-UHFFFAOYSA-N -1 0 334.309 2.846 20 50 EFGDRM COc1cc(Cl)ccc1C(=O)NN=Cc1ccccc1C(=O)[O-] ZINC000794784293 978821540 /nfs/dbraw/zinc/82/15/40/978821540.db2.gz BBIBHHNBFGRFRT-UHFFFAOYSA-N -1 0 332.743 2.811 20 50 EFGDRM O=C([O-])Cn1cc(C=NNC(=O)NC2CCCCC2)c2ccccc21 ZINC000799868657 978842625 /nfs/dbraw/zinc/84/26/25/978842625.db2.gz QDVRFTDVYGGSHL-UHFFFAOYSA-N -1 0 342.399 2.692 20 50 EFGDRM CC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CCCCC(=O)[O-] ZINC000814683016 978871759 /nfs/dbraw/zinc/87/17/59/978871759.db2.gz UDISBSWSAACBCE-NSHDSACASA-N -1 0 335.360 2.982 20 50 EFGDRM Cc1ccc(OCC(=O)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1C ZINC000814719976 978876095 /nfs/dbraw/zinc/87/60/95/978876095.db2.gz BQFYBVOLMFBQHP-UONOGXRCSA-N -1 0 332.400 2.675 20 50 EFGDRM CCc1ccccc1OCC(=O)NN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC000814723713 978876769 /nfs/dbraw/zinc/87/67/69/978876769.db2.gz BUVYFXRVKXEPOZ-JSGCOSHPSA-N -1 0 332.400 2.621 20 50 EFGDRM CCOc1ccc(C(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1OC ZINC000814754531 978881462 /nfs/dbraw/zinc/88/14/62/978881462.db2.gz KXJIAMNASPAACD-RYUDHWBXSA-N -1 0 348.399 2.701 20 50 EFGDRM O=C([O-])c1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)c[nH]1 ZINC000814762332 978881956 /nfs/dbraw/zinc/88/19/56/978881956.db2.gz WNGMLGGVTANOOC-UHFFFAOYSA-N -1 0 326.139 2.784 20 50 EFGDRM CC(=NNC(=O)Cc1nc(C)cs1)[C@H](C)CCCCC(=O)[O-] ZINC000814779637 978884279 /nfs/dbraw/zinc/88/42/79/978884279.db2.gz QBJOVQQGNRYPCU-SNVBAGLBSA-N -1 0 325.434 2.767 20 50 EFGDRM C[C@H]1C(=NNC(=O)c2cc(-c3ccccc3)on2)CC[C@@H]1CC(=O)[O-] ZINC000814790558 978885890 /nfs/dbraw/zinc/88/58/90/978885890.db2.gz PUNXCNPSJHUVLV-DGCLKSJQSA-N -1 0 341.367 2.948 20 50 EFGDRM O=C([O-])c1cccc(C=NNC(=O)NCc2ccc(Cl)cc2)c1 ZINC000814848376 978892178 /nfs/dbraw/zinc/89/21/78/978892178.db2.gz JAVITNPPAQYCEA-UHFFFAOYSA-N -1 0 331.759 2.872 20 50 EFGDRM CC(=NNC(=O)c1ccnc(N(C)C)c1)[C@@H](C)CCCCC(=O)[O-] ZINC000814844947 978892270 /nfs/dbraw/zinc/89/22/70/978892270.db2.gz UGUDWGGXZKCQFZ-LBPRGKRZSA-N -1 0 334.420 2.534 20 50 EFGDRM CC(=NNC(=O)c1ccnc(N(C)C)c1)[C@H](C)CCCCC(=O)[O-] ZINC000814844946 978892373 /nfs/dbraw/zinc/89/23/73/978892373.db2.gz UGUDWGGXZKCQFZ-GFCCVEGCSA-N -1 0 334.420 2.534 20 50 EFGDRM CN(C)c1ccc(NC(=O)NN=Cc2cccc(C(=O)[O-])c2)cc1 ZINC000814856589 978893225 /nfs/dbraw/zinc/89/32/25/978893225.db2.gz ONAQBEVAFUCCNS-UHFFFAOYSA-N -1 0 326.356 2.606 20 50 EFGDRM COc1ccc(NC(=O)NN=C(C)c2ccc(C(=O)[O-])cc2)cc1 ZINC000814997074 978900445 /nfs/dbraw/zinc/90/04/45/978900445.db2.gz FVOKYABIRMVMIA-UHFFFAOYSA-N -1 0 327.340 2.939 20 50 EFGDRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CCCC[C@H]1CCSS1 ZINC000818305720 978908264 /nfs/dbraw/zinc/90/82/64/978908264.db2.gz GBGXWVAUIAMXME-WFASDCNBSA-N -1 0 347.502 2.793 20 50 EFGDRM CC[C@@H](C)c1ncc(NC(=O)NNc2cccc(C(=O)[O-])c2)cn1 ZINC001595019334 979094831 /nfs/dbraw/zinc/09/48/31/979094831.db2.gz YAIKPCWWOIKKIO-SNVBAGLBSA-N -1 0 329.360 2.837 20 50 EFGDRM C[C@H]1C[C@H]1c1ccc(CCC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)o1 ZINC000833606202 979208235 /nfs/dbraw/zinc/20/82/35/979208235.db2.gz XJSYCESIOHFTLW-GXFFZTMASA-N -1 0 329.356 2.572 20 50 EFGDRM CCC(CC)(C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1 ZINC001595041336 979222814 /nfs/dbraw/zinc/22/28/14/979222814.db2.gz JLENBPOLGDFSQM-UHFFFAOYSA-N -1 0 327.384 2.981 20 50 EFGDRM CCC(CC)n1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)n1 ZINC001595121978 979499621 /nfs/dbraw/zinc/49/96/21/979499621.db2.gz HXDREQHBVGDWBW-UHFFFAOYSA-N -1 0 346.387 2.708 20 50 EFGDRM O=C([O-])c1occc1CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000851618200 979543705 /nfs/dbraw/zinc/54/37/05/979543705.db2.gz KLUKGFGKTPPUGL-QEVYDEPDSA-N -1 0 342.189 2.548 20 50 EFGDRM C[C@@H](Cc1cccs1)NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592902781 979828394 /nfs/dbraw/zinc/82/83/94/979828394.db2.gz MOAWSCZFAPPARE-VIFPVBQESA-N -1 0 337.376 2.843 20 50 EFGDRM C[C@H](Cc1cccs1)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592902891 979830367 /nfs/dbraw/zinc/83/03/67/979830367.db2.gz QHTUJNXVOUKNTO-SECBINFHSA-N -1 0 337.376 2.843 20 50 EFGDRM CC[C@H](COCC1CC1)NC(=O)NNc1cccc(C(=O)[O-])c1C ZINC001595197937 979920926 /nfs/dbraw/zinc/92/09/26/979920926.db2.gz HXTDAKQNNRBRDI-CYBMUJFWSA-N -1 0 335.404 2.525 20 50 EFGDRM C[C@@H](Cn1ncc2ccccc21)C(=O)NNc1ccccc1C(=O)[O-] ZINC001592929118 979953864 /nfs/dbraw/zinc/95/38/64/979953864.db2.gz CFFNUBHTUNULEF-LBPRGKRZSA-N -1 0 338.367 2.514 20 50 EFGDRM C[C@H](Cn1ncc2ccccc21)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001592929850 979961862 /nfs/dbraw/zinc/96/18/62/979961862.db2.gz NZCOYCUQGCJEIO-GFCCVEGCSA-N -1 0 338.367 2.514 20 50 EFGDRM CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])n1C)c1ccccc1 ZINC001595228209 980083064 /nfs/dbraw/zinc/08/30/64/980083064.db2.gz AATUDQQBFLSHJM-WSYSLRRZSA-N -1 0 337.379 2.898 20 50 EFGDRM CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(C(=O)[O-])n1C)c1ccccc1 ZINC001595228205 980083351 /nfs/dbraw/zinc/08/33/51/980083351.db2.gz AATUDQQBFLSHJM-SYCZXOQXSA-N -1 0 337.379 2.898 20 50 EFGDRM CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)C1CCOCC1 ZINC001595252342 980218444 /nfs/dbraw/zinc/21/84/44/980218444.db2.gz JJDKYIDAZCJVIQ-AWEZNQCLSA-N -1 0 335.404 2.525 20 50 EFGDRM CC[C@H](OC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C)C(=O)[O-] ZINC001595331836 980575841 /nfs/dbraw/zinc/57/58/41/980575841.db2.gz LKWMVZRXAHAQJW-PGZALSFYSA-N -1 0 348.399 2.626 20 50 EFGDRM CC[C@@H](Oc1ccccc1C)C(=O)NNc1ccccc1C(=O)[O-] ZINC001595356326 980710845 /nfs/dbraw/zinc/71/08/45/980710845.db2.gz AKYPCUHLDTWCBT-OAHLLOKOSA-N -1 0 328.368 2.994 20 50 EFGDRM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595372959 980867602 /nfs/dbraw/zinc/86/76/02/980867602.db2.gz AAMQKYJDKHAPTF-UONOGXRCSA-N -1 0 335.404 2.605 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000908600758 981327406 /nfs/dbraw/zinc/32/74/06/981327406.db2.gz RWOHFUIGMDMXED-GFCCVEGCSA-N -1 0 342.233 2.853 20 50 EFGDRM CC/C=C/CNC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595521229 981339269 /nfs/dbraw/zinc/33/92/69/981339269.db2.gz QDGSGRFTFIQXQG-ONEGZZNKSA-N -1 0 342.193 2.740 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000909295658 981462921 /nfs/dbraw/zinc/46/29/21/981462921.db2.gz FUFCQVCZWHPMJR-RYUDHWBXSA-N -1 0 342.233 2.781 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000909493567 981509586 /nfs/dbraw/zinc/50/95/86/981509586.db2.gz FYUOGMSKDXQSFG-GFCCVEGCSA-N -1 0 344.205 2.898 20 50 EFGDRM CC[C@](C)(C#N)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001594778370 981775434 /nfs/dbraw/zinc/77/54/34/981775434.db2.gz QCXCYKOGGOXXSG-CYBMUJFWSA-N -1 0 340.177 2.530 20 50 EFGDRM CCCCCCO[C@@H](C)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595711297 982299343 /nfs/dbraw/zinc/29/93/43/982299343.db2.gz TYALXJYFLWCNGN-NSHDSACASA-N -1 0 326.368 2.952 20 50 EFGDRM CCCCO[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1(C)C ZINC001595771381 982521001 /nfs/dbraw/zinc/52/10/01/982521001.db2.gz ZCVPAASUEDMWHX-LSDHHAIUSA-N -1 0 349.431 2.995 20 50 EFGDRM CCCCS[C@@H](C)C(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001595786538 982576557 /nfs/dbraw/zinc/57/65/57/982576557.db2.gz YPZLSQUARVCXLP-JTQLQIEISA-N -1 0 345.490 2.502 20 50 EFGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1C ZINC001595802894 982621876 /nfs/dbraw/zinc/62/18/76/982621876.db2.gz MNYLPXMMGHOIDV-DISPHTKASA-N -1 0 343.427 2.745 20 50 EFGDRM CCCCn1cc(C(=O)NNc2cccc(F)c2C(=O)[O-])c(C)n1 ZINC001595805361 982631618 /nfs/dbraw/zinc/63/16/18/982631618.db2.gz TWYDIWQJAQPVLP-UHFFFAOYSA-N -1 0 334.351 2.586 20 50 EFGDRM CC[C@H](C)CC[C@@H](O)CC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001594955899 982687540 /nfs/dbraw/zinc/68/75/40/982687540.db2.gz AUAJPWCKBVWGGA-CMPLNLGQSA-N -1 0 326.368 2.544 20 50 EFGDRM CCCOc1cccc(CC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC001595968380 983182719 /nfs/dbraw/zinc/18/27/19/983182719.db2.gz CJVDHNQHXCYTOD-UHFFFAOYSA-N -1 0 328.368 2.859 20 50 EFGDRM C#C[C@@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001588373244 983337541 /nfs/dbraw/zinc/33/75/41/983337541.db2.gz BUVWENQLDVYWLC-OAHLLOKOSA-N -1 0 327.315 2.525 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CC2CC2)C(=O)[O-])c1C ZINC001596108144 983433299 /nfs/dbraw/zinc/43/32/99/983433299.db2.gz QEPAVSFWRXGKPW-KGZWWPETSA-N -1 0 343.427 2.791 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(=O)[O-])no2)c1C ZINC001596108818 983436163 /nfs/dbraw/zinc/43/61/63/983436163.db2.gz QTSXEWXPBICSAU-NTUHNPAUSA-N -1 0 342.355 2.747 20 50 EFGDRM C#CCCCC(=O)NNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001588435161 983474728 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CCO[C@@H](CCNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C(C)C ZINC001596784434 985246924 /nfs/dbraw/zinc/24/69/24/985246924.db2.gz KYRIZAVIDFVYAT-AWEZNQCLSA-N -1 0 341.383 2.601 20 50 EFGDRM CCO[C@@H](CCNC(=O)NNc1cccc(C(=O)[O-])c1)C1CCCC1 ZINC001596784421 985247344 /nfs/dbraw/zinc/24/73/44/985247344.db2.gz KKBJQRZULFGOCP-INIZCTEOSA-N -1 0 349.431 2.996 20 50 EFGDRM CCO/C=C(\C#N)C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001596860287 985623397 /nfs/dbraw/zinc/62/33/97/985623397.db2.gz IITXKSDCCBVYDQ-NCZAWXAYSA-N -1 0 342.395 2.510 20 50 EFGDRM CCO/C=C(/C#N)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001596860566 985627003 /nfs/dbraw/zinc/62/70/03/985627003.db2.gz AIMISPJWZWFSLB-RAXLEYEMSA-N -1 0 334.397 2.777 20 50 EFGDRM CCO/C=C(\C#N)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001596860565 985627134 /nfs/dbraw/zinc/62/71/34/985627134.db2.gz AIMISPJWZWFSLB-JLHYYAGUSA-N -1 0 334.397 2.777 20 50 EFGDRM Cc1[nH]c(C(=O)NNc2c(F)cccc2Cl)c(C)c1C(=O)[O-] ZINC001599953793 985654070 /nfs/dbraw/zinc/65/40/70/985654070.db2.gz LLLUKXYOWOQMKB-UHFFFAOYSA-N -1 0 325.727 2.879 20 50 EFGDRM CC(=O)Nc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1C ZINC001589212498 985706391 /nfs/dbraw/zinc/70/63/91/985706391.db2.gz WFUWDEJXHZVFNL-UHFFFAOYSA-N -1 0 342.355 2.800 20 50 EFGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNc1cc(C(F)(F)F)ccn1 ZINC001599957472 985713287 /nfs/dbraw/zinc/71/32/87/985713287.db2.gz RIWIEECISSUIRI-UHFFFAOYSA-N -1 0 342.277 2.500 20 50 EFGDRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001599966232 985911295 /nfs/dbraw/zinc/91/12/95/985911295.db2.gz KJTYCWLWRYAHLM-UHFFFAOYSA-N -1 0 344.758 2.980 20 50 EFGDRM CC(=O)c1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cs1 ZINC001589267793 985949301 /nfs/dbraw/zinc/94/93/01/985949301.db2.gz JAFYEIXLLLWOPU-UHFFFAOYSA-N -1 0 335.293 2.776 20 50 EFGDRM CCOc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2F)cc1OC ZINC001597062040 986551535 /nfs/dbraw/zinc/55/15/35/986551535.db2.gz AFYUFXYMXNWXBD-UHFFFAOYSA-N -1 0 348.330 2.688 20 50 EFGDRM 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CCc1c(C(=O)NNc2ccc(C(=O)[O-])cc2F)[nH]c(C)c1C(C)=O ZINC001597410744 987695721 /nfs/dbraw/zinc/69/57/21/987695721.db2.gz HHQFKLFNZVXXTH-UHFFFAOYSA-N -1 0 347.346 2.682 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)OCc1nc(C(=O)[O-])cs1 ZINC001589698641 987781738 /nfs/dbraw/zinc/78/17/38/987781738.db2.gz GEIKKXALKOFYSK-QMMMGPOBSA-N -1 0 336.207 2.694 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001589698592 987781762 /nfs/dbraw/zinc/78/17/62/987781762.db2.gz CYZGRSNYCZBXBF-JTQLQIEISA-N -1 0 330.178 2.633 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)OCC(=O)c1ccc(C(=O)[O-])o1 ZINC001589699765 987787606 /nfs/dbraw/zinc/78/76/06/987787606.db2.gz QWUQIMFVLZJURD-JTQLQIEISA-N -1 0 347.161 2.513 20 50 EFGDRM CC(C)(C)C(F)(F)CNC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001589712511 987846290 /nfs/dbraw/zinc/84/62/90/987846290.db2.gz XTTHZYRPKNJNDC-UHFFFAOYSA-N -1 0 329.347 2.621 20 50 EFGDRM CCc1ccc(C(=O)NNC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC001597500899 988060167 /nfs/dbraw/zinc/06/01/67/988060167.db2.gz 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CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001590481919 990077398 /nfs/dbraw/zinc/07/73/98/990077398.db2.gz VQRAWTUPOKBRSN-UHFFFAOYSA-N -1 0 346.408 2.819 20 50 EFGDRM CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(C(=O)[O-])o2)cc1 ZINC001590492774 990092938 /nfs/dbraw/zinc/09/29/38/990092938.db2.gz ALRIWEVHKNSTRN-UHFFFAOYSA-N -1 0 344.367 2.804 20 50 EFGDRM CC(C)(CC(=O)[O-])CC(=O)NNc1ccccc1OC(F)(F)F ZINC001590635527 990324329 /nfs/dbraw/zinc/32/43/29/990324329.db2.gz UFQPUFAOTCFYRH-UHFFFAOYSA-N -1 0 334.294 2.919 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001590839657 990700508 /nfs/dbraw/zinc/70/05/08/990700508.db2.gz CDJYFNMFPSIVAA-QMMMGPOBSA-N -1 0 347.209 2.534 20 50 EFGDRM CN(C)N(C(=O)[C@@H]1CCC=CCCC1)c1nc(CC(=O)[O-])cs1 ZINC001598255535 991059350 /nfs/dbraw/zinc/05/93/50/991059350.db2.gz FWSKOFWYIPLTGQ-GFCCVEGCSA-N -1 0 337.445 2.716 20 50 EFGDRM CN(C)N(C(=O)C1CC(C(C)(C)C)C1)c1nc(CC(=O)[O-])cs1 ZINC001598256842 991068355 /nfs/dbraw/zinc/06/83/55/991068355.db2.gz WKVGIQDUMIVSJB-UHFFFAOYSA-N -1 0 339.461 2.652 20 50 EFGDRM COc1ccccc1/C(C)=C\C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599697700 991172302 /nfs/dbraw/zinc/17/23/02/991172302.db2.gz MHSZHJAHENGIES-QBFSEMIESA-N -1 0 340.379 2.869 20 50 EFGDRM COc1ccccc1C1(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001599701792 991230296 /nfs/dbraw/zinc/23/02/96/991230296.db2.gz CTOSNDUOHAWCKY-UHFFFAOYSA-N -1 0 344.342 2.707 20 50 EFGDRM COc1ccccc1C1(C(=O)NNc2ccc(C(=O)[O-])cc2F)CC1 ZINC001599703000 991249060 /nfs/dbraw/zinc/24/90/60/991249060.db2.gz XSYPDYXHYGOUQA-UHFFFAOYSA-N -1 0 344.342 2.707 20 50 EFGDRM COc1ccccc1CNC(=O)NNc1cccc(C(=O)[O-])c1C ZINC001599711681 991381387 /nfs/dbraw/zinc/38/13/87/991381387.db2.gz JJMMEDNVGVQBLO-UHFFFAOYSA-N -1 0 329.356 2.528 20 50 EFGDRM CS(C)(=O)=Nc1cccc(C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC001599779782 992350047 /nfs/dbraw/zinc/35/00/47/992350047.db2.gz KMMTYVZJFKTSJN-UHFFFAOYSA-N -1 0 347.396 2.501 20 50 EFGDRM CN1CC[C@H](C(=O)NNc2cccc(C(=O)[O-])c2F)c2ccccc21 ZINC001598578785 993313456 /nfs/dbraw/zinc/31/34/56/993313456.db2.gz LTMZJHYVJKEZBM-LBPRGKRZSA-N -1 0 343.358 2.591 20 50 EFGDRM COc1ccc2[nH]cc(CC(=O)NNc3ccccc3C(=O)[O-])c2c1 ZINC001599623519 994117040 /nfs/dbraw/zinc/11/70/40/994117040.db2.gz UROMNBMXLYALLP-UHFFFAOYSA-N -1 0 339.351 2.561 20 50 EFGDRM COc1ccc2c(c1)CC[C@H]2C(=O)NNc1ccccc1C(=O)[O-] ZINC001599627568 994170808 /nfs/dbraw/zinc/17/08/08/994170808.db2.gz LTSYKOYVIRULLI-CQSZACIVSA-N -1 0 326.352 2.567 20 50 EFGDRM COc1cccc([C@H](C)C(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001599654076 994549835 /nfs/dbraw/zinc/54/98/35/994549835.db2.gz FEWJBXDOMMJUNY-JTQLQIEISA-N -1 0 332.331 2.779 20 50 EFGDRM CO/C(=C\c1ccccc1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001598684656 994988196 /nfs/dbraw/zinc/98/81/96/994988196.db2.gz LXBCPIRIMHSSNT-UVTDQMKNSA-N -1 0 330.315 2.655 20 50 EFGDRM C[C@H](OCc1ccc(F)cc1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001593607605 995788047 /nfs/dbraw/zinc/78/80/47/995788047.db2.gz FKEFHYGEYQQREE-NSHDSACASA-N -1 0 332.331 2.572 20 50 EFGDRM C[C@H](OCc1ccccc1)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001593608271 995794149 /nfs/dbraw/zinc/79/41/49/995794149.db2.gz SVGFMECLAJJAHE-NSHDSACASA-N -1 0 332.331 2.572 20 50 EFGDRM C[C@@]1(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)CCc2ccccc21 ZINC001593755203 996402302 /nfs/dbraw/zinc/40/23/02/996402302.db2.gz NUQUHVODCWTNEC-GOSISDBHSA-N -1 0 328.343 2.871 20 50 EFGDRM C[C@@]1(C(=O)NNc2cc(C(=O)[O-])ccc2Br)CC1(F)F ZINC001593755865 996405075 /nfs/dbraw/zinc/40/50/75/996405075.db2.gz XZJKRFJCZXOAIC-NSHDSACASA-N -1 0 349.131 2.636 20 50 EFGDRM C[C@@]1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)C[C@@H]1Br ZINC001593759572 996415830 /nfs/dbraw/zinc/41/58/30/996415830.db2.gz FGZXESYTQHHYSG-QPUJVOFHSA-N -1 0 348.580 2.856 20 50 EFGDRM COC(=O)CC1(CC(=O)NNc2ccc(C)c(C(=O)[O-])c2)CCCC1 ZINC001598839809 996515915 /nfs/dbraw/zinc/51/59/15/996515915.db2.gz BOLBBRFKUHIPQM-UHFFFAOYSA-N -1 0 348.399 2.650 20 50 EFGDRM CC1(C)C[C@H](NC(=O)NNc2ccc(C(=O)[O-])cc2F)CCS1 ZINC001593859562 996649913 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CC1(C)CCC[C@H](C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)C1 ZINC000824803526 608572914 /nfs/dbraw/zinc/57/29/14/608572914.db2.gz VRKLFMAMPWZJTQ-VIFPVBQESA-N -1 0 349.826 2.575 20 50 EFGDRM CCCC[C@H](CC)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825260453 608627297 /nfs/dbraw/zinc/62/72/97/608627297.db2.gz PLGGHMHIJWUCTF-VIFPVBQESA-N -1 0 337.815 2.575 20 50 EFGDRM O=C(CCC=Cc1ccccc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826405864 1427513676 /nfs/dbraw/zinc/51/36/76/1427513676.db2.gz WZKVWXUMGZRGAD-XBXARRHUSA-N -1 0 334.383 2.803 20 50 EFGDRM O=C(CCCC[C@H]1CCSS1)N1CCC(c2nn[n-]n2)CC1 ZINC000913742100 1428721079 /nfs/dbraw/zinc/72/10/79/1428721079.db2.gz HDGXISPAKXSGFH-LBPRGKRZSA-N -1 0 341.506 2.620 20 50 EFGDRM CC[C@H](C(=O)NN=C(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736311657 1429018714 /nfs/dbraw/zinc/01/87/14/1429018714.db2.gz CALCVTUKFDFCCE-KRWDZBQOSA-N -1 0 348.410 2.901 20 50 EFGDRM C[C@@H]1CC(C)(C)CCC1=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820649298 1429033847 /nfs/dbraw/zinc/03/38/47/1429033847.db2.gz KGCPUPCIXJLHAU-LLVKDONJSA-N -1 0 326.404 2.799 20 50 EFGDRM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2CCCCCCC2)o1 ZINC000735939360 1429176524 /nfs/dbraw/zinc/17/65/24/1429176524.db2.gz NPAQHNLNJJXYGP-UHFFFAOYSA-N -1 0 347.423 2.782 20 50 EFGDRM CC(C)(C)c1ccc(NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824135614 1429252994 /nfs/dbraw/zinc/25/29/94/1429252994.db2.gz HFMNCNHWVRHBEQ-UHFFFAOYSA-N -1 0 336.399 2.921 20 50 EFGDRM CC(CCc1ccc(C)cc1)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735986640 1429322493 /nfs/dbraw/zinc/32/24/93/1429322493.db2.gz OXIOPFBBGAWXIH-UHFFFAOYSA-N -1 0 348.410 2.914 20 50 EFGDRM Cc1c(Cl)cccc1NNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826236932 1429414648 /nfs/dbraw/zinc/41/46/48/1429414648.db2.gz HQYOGHUXNRHXGE-UHFFFAOYSA-N -1 0 342.790 2.514 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]cc1-c1ccccc1 ZINC000826446769 1429473549 /nfs/dbraw/zinc/47/35/49/1429473549.db2.gz XULQTVGXEFCTJR-UHFFFAOYSA-N -1 0 345.366 2.619 20 50 EFGDRM CC(C)=C[C@H]1[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000824176896 1429501428 /nfs/dbraw/zinc/50/14/28/1429501428.db2.gz CDYNSUCPMRVPLB-UONOGXRCSA-N -1 0 326.404 2.548 20 50 EFGDRM CC(CCCC(C)C)=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820242745 1429567341 /nfs/dbraw/zinc/56/73/41/1429567341.db2.gz QMDHIJYCRWIAIG-UHFFFAOYSA-N -1 0 344.419 2.564 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2cc(F)ccc2o1 ZINC000826446921 1429572384 /nfs/dbraw/zinc/57/23/84/1429572384.db2.gz FKQQNKUMWYUSHZ-UHFFFAOYSA-N -1 0 338.302 2.509 20 50 EFGDRM O=C(NN=C1CCCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738129109 1429582268 /nfs/dbraw/zinc/58/22/68/1429582268.db2.gz OKPPAHBGJIXPIU-UHFFFAOYSA-N -1 0 346.394 2.727 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1Cl ZINC000826446695 1423670673 /nfs/dbraw/zinc/67/06/73/1423670673.db2.gz VDFOURWBGGSBKH-UHFFFAOYSA-N -1 0 329.751 2.669 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1ccccc1F ZINC000826446602 1424256972 /nfs/dbraw/zinc/25/69/72/1424256972.db2.gz RMMVCDHLGXSNDT-UHFFFAOYSA-N -1 0 347.741 2.808 20 50 EFGDRM O=C(C[C@H]1CCc2ccccc2C1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826405063 1424474551 /nfs/dbraw/zinc/47/45/51/1424474551.db2.gz UXMMEVZOBJWFHM-ZDUSSCGKSA-N -1 0 348.410 2.505 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000272561573 1424597404 /nfs/dbraw/zinc/59/74/04/1424597404.db2.gz ABUVWZRTPLPMPB-JTQLQIEISA-N -1 0 338.209 2.615 20 50 EFGDRM O=C(CCC1CCCCC1)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737824049 1424674740 /nfs/dbraw/zinc/67/47/40/1424674740.db2.gz NWZZYHHCINWNNN-UHFFFAOYSA-N -1 0 326.404 2.677 20 50 EFGDRM Cc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000826299514 1424705400 /nfs/dbraw/zinc/70/54/00/1424705400.db2.gz IUKHAVWGZYLFHR-UHFFFAOYSA-N -1 0 343.778 2.977 20 50 EFGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc2c(c1)CCC2 ZINC000826448473 1426525651 /nfs/dbraw/zinc/52/56/51/1426525651.db2.gz XDJJMUYRSVRBGI-UHFFFAOYSA-N -1 0 335.371 2.504 20 50 EFGDRM Cc1ccccc1C1CC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000822350294 1426698789 /nfs/dbraw/zinc/69/87/89/1426698789.db2.gz BVWKYRBCXCBLQU-UHFFFAOYSA-N -1 0 346.394 2.839 20 50 EFGDRM C[C@H]1C[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC(C)(C)C1 ZINC000824866756 1426754490 /nfs/dbraw/zinc/75/44/90/1426754490.db2.gz NHRLYMTYYHIXGT-WCQYABFASA-N -1 0 328.420 2.772 20 50 EFGDRM Cc1ccsc1CCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826316613 1426861712 /nfs/dbraw/zinc/86/17/12/1426861712.db2.gz SVEMESRJTZMDPZ-UHFFFAOYSA-N -1 0 342.428 2.703 20 50 EFGDRM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826190746 1426882372 /nfs/dbraw/zinc/88/23/72/1426882372.db2.gz MEEXWFVVORJQCO-CXUHLZMHSA-N -1 0 345.362 2.974 20 50 EFGDRM CCC(CC)(CC)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000820882649 1427310158 /nfs/dbraw/zinc/31/01/58/1427310158.db2.gz WRGBHUXRCCGXBB-UHFFFAOYSA-N -1 0 335.412 2.638 20 50 EFGDRM CC1(C)CCC[C@H](CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824802330 1427442710 /nfs/dbraw/zinc/44/27/10/1427442710.db2.gz LVRDEIBPHBUVHJ-GFCCVEGCSA-N -1 0 328.420 2.916 20 50 EFGDRM CC(C)(C)c1ccc(NNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000824135640 1427471399 /nfs/dbraw/zinc/47/13/99/1427471399.db2.gz IDAKDTYHRRXXKE-UHFFFAOYSA-N -1 0 342.428 2.983 20 50 EFGDRM CC(C)c1ccsc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824352937 1429906658 /nfs/dbraw/zinc/90/66/58/1429906658.db2.gz RPTOPRFQODWTHB-UHFFFAOYSA-N -1 0 328.401 2.809 20 50 EFGDRM Cc1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822242502 1429929979 /nfs/dbraw/zinc/92/99/79/1429929979.db2.gz MYSMKKMXPYLSBK-WDZFZDKYSA-N -1 0 336.380 2.782 20 50 EFGDRM N#CC(=Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379287 1430073018 /nfs/dbraw/zinc/07/30/18/1430073018.db2.gz NXDCOTCHCFQVPS-RIYZIHGNSA-N -1 0 346.306 2.565 20 50 EFGDRM COc1ccccc1C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826217910 1441526979 /nfs/dbraw/zinc/52/69/79/1441526979.db2.gz HUNCCEQNGAORSX-XYOKQWHBSA-N -1 0 349.325 2.804 20 50 EFGDRM COc1ccc(C=C(C#N)c2nc3ccccc3[nH]2)cc1-c1nn[n-]n1 ZINC000737077479 1441615412 /nfs/dbraw/zinc/61/54/12/1441615412.db2.gz UUWPVHUGIDMVPK-XYOKQWHBSA-N -1 0 343.350 2.816 20 50 EFGDRM N#CC(=Cc1ccc(F)c(F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379658 1441815438 /nfs/dbraw/zinc/81/54/38/1441815438.db2.gz YGFVOVOHQHURRJ-AWNIVKPZSA-N -1 0 337.289 2.935 20 50 EFGDRM O=C(C=Cc1ccc2[nH]ccc2c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826400878 1442147443 /nfs/dbraw/zinc/14/74/43/1442147443.db2.gz KGBJMZYGGLOWIL-ALCCZGGFSA-N -1 0 345.366 2.505 20 50 EFGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000826448942 1443167247 /nfs/dbraw/zinc/16/72/47/1443167247.db2.gz UIOCVKVMXPRZOS-UHFFFAOYSA-N -1 0 349.181 2.930 20 50 EFGDRM CCC(CC)C(=O)C(C#N)=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736337583 1443291902 /nfs/dbraw/zinc/29/19/02/1443291902.db2.gz KWFITLMRLYUOGI-MDWZMJQESA-N -1 0 325.372 2.788 20 50 EFGDRM CC1(C)CCC[C@@H](C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824801137 1443408853 /nfs/dbraw/zinc/40/88/53/1443408853.db2.gz BWGARAFLMDLTOH-GFCCVEGCSA-N -1 0 326.404 2.799 20 50 EFGDRM Cn1c2ccccc2nc1C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822596503 1443425704 /nfs/dbraw/zinc/42/57/04/1443425704.db2.gz MWNRPQHGMFUOQZ-NTMALXAHSA-N -1 0 333.380 2.879 20 50 EFGDRM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC000822242523 1443479101 /nfs/dbraw/zinc/47/91/01/1443479101.db2.gz NWUCFFXFCMHLEH-WQLSENKSSA-N -1 0 334.339 2.622 20 50 EFGDRM Cc1cc[nH]c2nc(C(C#N)=Cc3cc(-c4nnn[n-]4)cs3)nc1-2 ZINC000822379691 1443805003 /nfs/dbraw/zinc/80/50/03/1443805003.db2.gz SEJGAAKFRMTTBG-WTKPLQERSA-N -1 0 334.368 2.572 20 50 EFGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1cccc(C#N)c1 ZINC000826379016 1446087790 /nfs/dbraw/zinc/08/77/90/1446087790.db2.gz HFAQTHHXGPEEBZ-CHHVJCJISA-N -1 0 344.309 2.667 20 50 EFGDRM CCCCCCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821055565 1446271847 /nfs/dbraw/zinc/27/18/47/1446271847.db2.gz DCUOHOZYSBCPLL-YRNVUSSQSA-N -1 0 330.417 2.532 20 50 EFGDRM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000826378967 1446273621 /nfs/dbraw/zinc/27/36/21/1446273621.db2.gz GACZBHHQILNYPD-KPKJPENVSA-N -1 0 336.286 2.978 20 50 EFGDRM C[C@@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000824385081 1446417116 /nfs/dbraw/zinc/41/71/16/1446417116.db2.gz LJDQCLVBNDMIDX-NSHDSACASA-N -1 0 340.362 2.643 20 50 EFGDRM CC1(C)CCCC[C@H]1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824802668 1446433236 /nfs/dbraw/zinc/43/32/36/1446433236.db2.gz NXNDQEYVRYIQDS-ZDUSSCGKSA-N -1 0 328.420 2.916 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2sccc2s1 ZINC000826447068 1446853399 /nfs/dbraw/zinc/85/33/99/1446853399.db2.gz LNWRSCLZBAIBFX-UHFFFAOYSA-N -1 0 342.409 2.900 20 50 EFGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)OC1CCCCC1 ZINC000822795601 1447155018 /nfs/dbraw/zinc/15/50/18/1447155018.db2.gz DADWBWQIUGTYMQ-JYRVWZFOSA-N -1 0 341.346 2.789 20 50 EFGDRM O=C(NN=C(CC1CC1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129994 1447198254 /nfs/dbraw/zinc/19/82/54/1447198254.db2.gz ZOYXNAMYHAHTNT-UHFFFAOYSA-N -1 0 346.394 2.801 20 50 EFGDRM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc(C)cc(C)c1 ZINC000735448616 1447202286 /nfs/dbraw/zinc/20/22/86/1447202286.db2.gz STAJZRNVDFRJHV-UHFFFAOYSA-N -1 0 334.383 2.638 20 50 EFGDRM CC(C)C1CCC(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820037288 1449423931 /nfs/dbraw/zinc/42/39/31/1449423931.db2.gz BOVUPXMWHYKWJA-UHFFFAOYSA-N -1 0 343.435 2.708 20 50 EFGDRM O=C(C=Cc1ccccc1Cl)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826402293 1449593993 /nfs/dbraw/zinc/59/39/93/1449593993.db2.gz QILIBILTXYYBGA-YFHOEESVSA-N -1 0 340.774 2.677 20 50 EFGDRM C[C@@]1(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CCCc2ccccc21 ZINC000824783756 1449744680 /nfs/dbraw/zinc/74/46/80/1449744680.db2.gz JUHCKNSIEGBPLN-LJQANCHMSA-N -1 0 348.410 2.604 20 50 EFGDRM C[C@@H]1CC(C)(C)CCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820649598 1450267531 /nfs/dbraw/zinc/26/75/31/1450267531.db2.gz NCVXUAXXOKJIDT-LLVKDONJSA-N -1 0 326.404 2.799 20 50 EFGDRM N#CC(=Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379127 1450275812 /nfs/dbraw/zinc/27/58/12/1450275812.db2.gz JOKBXYUTKLFTFA-PXNMLYILSA-N -1 0 326.319 2.528 20 50 EFGDRM CCCc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000825348362 1450301545 /nfs/dbraw/zinc/30/15/45/1450301545.db2.gz HJTGRWVLVHNFBB-UHFFFAOYSA-N -1 0 342.428 2.946 20 50 EFGDRM CN(C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736731834 1450378978 /nfs/dbraw/zinc/37/89/78/1450378978.db2.gz JUUOPPIDEGKHPK-RVDMUPIBSA-N -1 0 336.399 2.565 20 50 EFGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2cccc(F)c2Br)C1 ZINC001601560667 971015552 /nfs/dbraw/zinc/01/55/52/971015552.db2.gz SIBKQQIDJZPIHM-JGVFFNPUSA-N -1 0 345.168 2.532 20 50 EFGDRM C[C@](C#N)(CC(=O)[O-])C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1 ZINC001602782706 971530649 /nfs/dbraw/zinc/53/06/49/971530649.db2.gz ZAGCVACHDKHUNP-GFCCVEGCSA-N -1 0 349.696 2.806 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001595262073 949680077 /nfs/dbraw/zinc/68/00/77/949680077.db2.gz PHYSUHKCFBYXLY-ZIAGYGMSSA-N -1 0 325.368 2.807 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1c(Cl)oc2ccccc21 ZINC001595262256 949684116 /nfs/dbraw/zinc/68/41/16/949684116.db2.gz WDKGAAUIBZDRKF-UHFFFAOYSA-N -1 0 331.715 2.936 20 50 EFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CCC(=O)[O-])c1C ZINC001589666817 949896214 /nfs/dbraw/zinc/89/62/14/949896214.db2.gz BGGSJTPEDPVZHC-LFIBNONCSA-N -1 0 331.416 2.745 20 50 EFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1C ZINC001589666908 949899193 /nfs/dbraw/zinc/89/91/93/949899193.db2.gz FFMLNGYCYFQIJS-YEHLXVFXSA-N -1 0 343.427 2.791 20 50 EFGDRM O=C([O-])CC1(C(=O)NNc2ccc(Cl)cc2Cl)CCOCC1 ZINC001594976622 950921549 /nfs/dbraw/zinc/92/15/49/950921549.db2.gz ZANMCXAELWARNH-UHFFFAOYSA-N -1 0 347.198 2.708 20 50 EFGDRM CCOc1cc(NC(=O)NN=c2[nH]cccc2C(=O)[O-])ccc1C ZINC001592211071 951311725 /nfs/dbraw/zinc/31/17/25/951311725.db2.gz GOKNAZFNFMMOQO-UHFFFAOYSA-N -1 0 330.344 2.636 20 50 EFGDRM O=C([O-])CCC1CCN(S(=O)(=O)c2ccc(CCl)cc2)CC1 ZINC001595022622 951319541 /nfs/dbraw/zinc/31/95/41/951319541.db2.gz 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O=C([O-])c1c(F)ccc(NC(=O)NNC(=O)C2CCCC2)c1Cl ZINC001594782645 953647073 /nfs/dbraw/zinc/64/70/73/953647073.db2.gz DFOVQPKMYVZXHZ-UHFFFAOYSA-N -1 0 343.742 2.520 20 50 EFGDRM O=C([O-])c1ccccc1NC(=O)NNC(=O)c1ccc(Cl)cc1 ZINC001594782911 953650832 /nfs/dbraw/zinc/65/08/32/953650832.db2.gz NDCKBOPONSQPSZ-UHFFFAOYSA-N -1 0 333.731 2.505 20 50 EFGDRM O=C([O-])[C@@]1(C(=O)NNc2ccccc2OC(F)(F)F)CC=CCC1 ZINC001594868068 954323375 /nfs/dbraw/zinc/32/33/75/954323375.db2.gz XYPIBHCONHPFHM-AWEZNQCLSA-N -1 0 344.289 2.839 20 50 EFGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1cc(Br)ccc1F ZINC001589476063 954958246 /nfs/dbraw/zinc/95/82/46/954958246.db2.gz UEWHHLJOPRPSJY-UHFFFAOYSA-N -1 0 347.184 2.922 20 50 EFGDRM O=C([O-])C=Cc1cc(C(=O)NNc2ccnc(C(F)(F)F)c2)co1 ZINC001594969106 955087467 /nfs/dbraw/zinc/08/74/67/955087467.db2.gz VAPFFMLYQOUSGP-OWOJBTEDSA-N -1 0 341.245 2.548 20 50 EFGDRM CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000737195534 955219960 /nfs/dbraw/zinc/21/99/60/955219960.db2.gz RYSYNXUYRNQVFG-AAGJOFLKSA-N -1 0 344.411 2.855 20 50 EFGDRM Cc1c(Cl)cccc1NNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000738290940 955237256 /nfs/dbraw/zinc/23/72/56/955237256.db2.gz MZOJJLFAPSOEFX-UHFFFAOYSA-N -1 0 325.796 2.918 20 50 EFGDRM O=C([O-])C1CCC(=NNC(=O)c2cccc(OC(F)F)c2)CC1 ZINC000738507205 955244678 /nfs/dbraw/zinc/24/46/78/955244678.db2.gz YQGVEPOLTJJCGC-UHFFFAOYSA-N -1 0 326.299 2.649 20 50 EFGDRM N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)c1cccc2c1OCCO2 ZINC000774133379 955326203 /nfs/dbraw/zinc/32/62/03/955326203.db2.gz DAGLCQMFISZVAX-UVTDQMKNSA-N -1 0 335.315 2.946 20 50 EFGDRM O=C([O-])C1CCC(=NNC(=O)c2ccc(Br)s2)CC1 ZINC000814759560 955359826 /nfs/dbraw/zinc/35/98/26/955359826.db2.gz HDQWEAZEHJVSTQ-UHFFFAOYSA-N -1 0 345.218 2.871 20 50 EFGDRM COc1ccccc1SCC(=O)NN=C1CCC(C(=O)[O-])CC1 ZINC000814889177 955364513 /nfs/dbraw/zinc/36/45/13/955364513.db2.gz HHKCGDMKDITCEK-UHFFFAOYSA-N -1 0 336.413 2.534 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)cc1 ZINC000821544551 955517817 /nfs/dbraw/zinc/51/78/17/955517817.db2.gz UPSLPUYOPGNFEX-UHFFFAOYSA-N -1 0 334.335 2.599 20 50 EFGDRM O=C([O-])c1cccc(C(=O)NNC(=S)Nc2cccc(Cl)c2)c1 ZINC000821549523 955519862 /nfs/dbraw/zinc/51/98/62/955519862.db2.gz JTWWXEOFZHMDJA-UHFFFAOYSA-N -1 0 349.799 2.670 20 50 EFGDRM CCc1cc(Br)ccc1NNC(=O)NCCCC(=O)[O-] ZINC000840992358 955575840 /nfs/dbraw/zinc/57/58/40/955575840.db2.gz ITMCHKUSZKTNLW-UHFFFAOYSA-N -1 0 344.209 2.502 20 50 EFGDRM C[C@@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C[C@H]1C(=O)[O-] ZINC000843333495 955637568 /nfs/dbraw/zinc/63/75/68/955637568.db2.gz SWNVLUVGBOQMIC-VNUHZKFNSA-N -1 0 344.249 2.509 20 50 EFGDRM CC(C)[C@@H](CNC(=O)NNc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000848592833 955766512 /nfs/dbraw/zinc/76/65/12/955766512.db2.gz OZTMTUSHRSCREX-SECBINFHSA-N -1 0 333.310 2.688 20 50 EFGDRM O=C([O-])C1(CNC(=O)NNc2cc(C(F)(F)F)ccc2F)CCC1 ZINC000851654090 955799222 /nfs/dbraw/zinc/79/92/22/955799222.db2.gz OVJURAMVEOVMEI-UHFFFAOYSA-N -1 0 349.284 2.726 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000852959051 955895966 /nfs/dbraw/zinc/89/59/66/955895966.db2.gz DBALMLBKFQZSMH-IAQYHMDHSA-N -1 0 342.233 2.912 20 50 EFGDRM O=C([O-])c1ccc(C(=O)NN=C(c2ccccc2)c2ccccc2)cn1 ZINC000879303210 956236131 /nfs/dbraw/zinc/23/61/31/956236131.db2.gz LJCFBHHTPDSHHN-UHFFFAOYSA-N -1 0 345.358 2.962 20 50 EFGDRM COC[C@]1(C(=O)[O-])CCN(C(=O)CCCC[C@@H]2CCSS2)C1 ZINC000902317752 956701207 /nfs/dbraw/zinc/70/12/07/956701207.db2.gz ZYKCJYUDFNSQHZ-DOMZBBRYSA-N -1 0 347.502 2.650 20 50 EFGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNc1ccc(C#N)cc1C(F)(F)F ZINC001589219238 956752462 /nfs/dbraw/zinc/75/24/62/956752462.db2.gz KBMOHHHILLKVSF-AWEZNQCLSA-N -1 0 341.289 2.521 20 50 EFGDRM C[C@@]1(CNC(=O)Nc2ccccc2C(=O)[O-])C[C@@H]1Br ZINC001589246506 956928943 /nfs/dbraw/zinc/92/89/43/956928943.db2.gz GXNFROHBIOPHIW-GWCFXTLKSA-N -1 0 327.178 2.680 20 50 EFGDRM CC(C)(C)c1ccc(C(=O)NNC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000016481736 957099736 /nfs/dbraw/zinc/09/97/36/957099736.db2.gz UPKSBRCPMUYOIP-UHFFFAOYSA-N -1 0 334.416 2.636 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)n1CC(C)C ZINC001594301273 957913220 /nfs/dbraw/zinc/91/32/20/957913220.db2.gz RXPLTHMHEYAYIY-QLGNDSFESA-N -1 0 345.443 2.893 20 50 EFGDRM Cc1cc(NC(=O)NNc2cccc([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC001594322945 958135655 /nfs/dbraw/zinc/13/56/55/958135655.db2.gz JCBBRVIIIMTIOO-UHFFFAOYSA-N -1 0 330.300 2.750 20 50 EFGDRM COc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1SC ZINC001594105858 958467333 /nfs/dbraw/zinc/46/73/33/958467333.db2.gz CYHNTEITYWWFHP-UHFFFAOYSA-N -1 0 348.384 2.659 20 50 EFGDRM Cc1ccc(NNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1F ZINC001594373188 958559985 /nfs/dbraw/zinc/55/99/85/958559985.db2.gz HEJFSKBYJDAKHG-WCFLWFBJSA-N -1 0 337.395 2.896 20 50 EFGDRM Cc1ccc(NNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1F ZINC001594373187 958560139 /nfs/dbraw/zinc/56/01/39/958560139.db2.gz HEJFSKBYJDAKHG-KGYLQXTDSA-N -1 0 337.395 2.896 20 50 EFGDRM Cc1ccc2c(CC(=O)NNc3ncccc3C(=O)[O-])coc2c1C ZINC001594382153 958642199 /nfs/dbraw/zinc/64/21/99/958642199.db2.gz WKWSHXJEQBYVHJ-UHFFFAOYSA-N -1 0 339.351 2.829 20 50 EFGDRM Cc1cccc(C(C)C)c1NNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594390567 958711110 /nfs/dbraw/zinc/71/11/10/958711110.db2.gz VRQCJHAGABCKDU-UHFFFAOYSA-N -1 0 334.416 2.833 20 50 EFGDRM C[C@](C#N)(CC(=O)[O-])C(=O)NNc1ccccc1Cc1ccccc1 ZINC001588541630 958964272 /nfs/dbraw/zinc/96/42/72/958964272.db2.gz HOIPJYBWLSGXNV-LJQANCHMSA-N -1 0 337.379 2.725 20 50 EFGDRM CSc1ccc(C=CC(=O)NNc2ncccc2C(=O)[O-])s1 ZINC001594194191 959185696 /nfs/dbraw/zinc/18/56/96/959185696.db2.gz FJIVSRUEFUKLAE-GQCTYLIASA-N -1 0 335.410 2.720 20 50 EFGDRM Cc1nc(CC(C)C)c(C(=O)NNc2ncccc2C(=O)[O-])s1 ZINC001594451354 959373252 /nfs/dbraw/zinc/37/32/52/959373252.db2.gz USLPBKODPILHRS-UHFFFAOYSA-N -1 0 334.401 2.500 20 50 EFGDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNc1cc(Cl)ccc1Br ZINC001594228177 959451828 /nfs/dbraw/zinc/45/18/28/959451828.db2.gz NKTVOUILICNXTR-INWYIAFRSA-N -1 0 347.596 2.656 20 50 EFGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237727288 961009764 /nfs/dbraw/zinc/00/97/64/961009764.db2.gz NINSQURWEJQDDI-UHFFFAOYSA-N -1 0 335.791 2.998 20 50 EFGDRM Cc1cccc(NC(=S)NNC(=O)[C@H](C(=O)[O-])C2CCCC2)c1C ZINC001574397602 961217558 /nfs/dbraw/zinc/21/75/58/961217558.db2.gz WHLHKFBDLYSWQQ-CQSZACIVSA-N -1 0 349.456 2.512 20 50 EFGDRM CC(C)(Oc1cccc(Cl)c1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001588794868 961371008 /nfs/dbraw/zinc/37/10/08/961371008.db2.gz RJZNRBJDAJUXJO-UHFFFAOYSA-N -1 0 349.774 2.734 20 50 EFGDRM CC(C)C[C@@H](CNC(=O)NNc1ccc(F)cc1Cl)C(=O)[O-] ZINC001588853220 961955389 /nfs/dbraw/zinc/95/53/89/961955389.db2.gz SJGZBTYMJKJJEP-VIFPVBQESA-N -1 0 331.775 2.852 20 50 EFGDRM O=C([O-])[C@H](C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC001574616855 962226914 /nfs/dbraw/zinc/22/69/14/962226914.db2.gz KLZJGTCXYMZJAJ-JTQLQIEISA-N -1 0 336.697 2.913 20 50 EFGDRM CC(C)Oc1cccc(NC(=O)NN=c2[nH]cccc2C(=O)[O-])c1 ZINC001588940636 962527891 /nfs/dbraw/zinc/52/78/91/962527891.db2.gz QCAWTXKXIBTWEO-UHFFFAOYSA-N -1 0 330.344 2.716 20 50 EFGDRM C=C(C)C[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C)C(=O)[O-] ZINC001573321964 962764683 /nfs/dbraw/zinc/76/46/83/962764683.db2.gz SKLNJQIZTXINPK-KGZWWPETSA-N -1 0 343.427 2.958 20 50 EFGDRM C[C@H](Oc1ccc(/C=C(\C#N)C(=O)NC2CCCC2)cc1)C(=O)[O-] ZINC000285330572 962886263 /nfs/dbraw/zinc/88/62/63/962886263.db2.gz LKMGMPYAXZINQE-LQELWAHVSA-N -1 0 328.368 2.504 20 50 EFGDRM Cc1cc(C)cc(C2(C(=O)NN=c3[nH]cccc3C(=O)[O-])CC2)c1 ZINC001605150630 972834360 /nfs/dbraw/zinc/83/43/60/972834360.db2.gz BDOSAPCGHYWRAW-UHFFFAOYSA-N -1 0 325.368 2.572 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)CCCC(=O)[O-])c(C)n1CC(C)C ZINC001605164216 972856922 /nfs/dbraw/zinc/85/69/22/972856922.db2.gz OCLNOYYKKJTSOH-LICLKQGHSA-N -1 0 345.443 2.991 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2ccc(Cl)cc2F)CCSCC1 ZINC001605935189 972871324 /nfs/dbraw/zinc/87/13/24/972871324.db2.gz CIIBKXYXMCJRIX-UHFFFAOYSA-N -1 0 332.784 2.520 20 50 EFGDRM Cc1ccc(NNC(=O)C2(C(=O)[O-])CCSCC2)c(Cl)c1 ZINC001605297271 973111276 /nfs/dbraw/zinc/11/12/76/973111276.db2.gz YUDGBRQQMZMMSA-UHFFFAOYSA-N -1 0 328.821 2.690 20 50 EFGDRM O=C([O-])C=Cc1cc(C(=O)NNc2cc(Cl)nc(Cl)c2)co1 ZINC001606065427 973209239 /nfs/dbraw/zinc/20/92/39/973209239.db2.gz ZSRXLPXXBYHMRM-UPHRSURJSA-N -1 0 342.138 2.836 20 50 EFGDRM O=C([O-])COc1cccc(C(=O)NNc2cc(Cl)ccc2F)c1 ZINC001606291614 973696108 /nfs/dbraw/zinc/69/61/08/973696108.db2.gz UDJDEOZKBVYLPM-UHFFFAOYSA-N -1 0 338.722 2.699 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001606528703 974038843 /nfs/dbraw/zinc/03/88/43/974038843.db2.gz OZBIIZQDNYXGGV-DTWKUNHWSA-N -1 0 331.294 2.592 20 50 EFGDRM C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1)C(=O)[O-] ZINC000491164167 974256005 /nfs/dbraw/zinc/25/60/05/974256005.db2.gz ZMYPTISIYLQXSW-ZDIKFAODSA-N -1 0 343.364 2.541 20 50 EFGDRM CCCCCNC(=O)/C(C#N)=C/c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000491105671 974256144 /nfs/dbraw/zinc/25/61/44/974256144.db2.gz QONQXQCUBHLMQI-WDGDVPDHSA-N -1 0 330.384 2.752 20 50 EFGDRM CC(C)c1ccc(NNC(=O)Nc2cccc(CC(=O)[O-])n2)cc1 ZINC001591973935 976582945 /nfs/dbraw/zinc/58/29/45/976582945.db2.gz KNAUBFQHDPYTNZ-UHFFFAOYSA-N -1 0 328.372 2.981 20 50 EFGDRM C[C@@H](CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[C@@H]1CCCO1 ZINC001592251183 977478155 /nfs/dbraw/zinc/47/81/55/977478155.db2.gz AAAFRMNYPVBIIL-ZANVPECISA-N -1 0 326.780 2.687 20 50 EFGDRM C[C@@H](CC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C(=O)c1ccccc1 ZINC001592252178 977481309 /nfs/dbraw/zinc/48/13/09/977481309.db2.gz KVECJQGZAMOWAT-NSHDSACASA-N -1 0 344.342 2.876 20 50 EFGDRM C[C@H](CC(=O)NNc1cccc(C(=O)[O-])c1F)C(=O)c1ccccc1 ZINC001592252574 977482118 /nfs/dbraw/zinc/48/21/18/977482118.db2.gz NAXIRVCJHVOQRA-LLVKDONJSA-N -1 0 344.342 2.876 20 50 EFGDRM C[C@H](CC=NNC(=O)COc1ccccc1-c1ccccc1)C(=O)[O-] ZINC001592464817 978204180 /nfs/dbraw/zinc/20/41/80/978204180.db2.gz ZWMBZEFIULTOFE-CQSZACIVSA-N -1 0 340.379 2.945 20 50 EFGDRM CC[C@H](C(=O)NN=Cc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000731931675 978299881 /nfs/dbraw/zinc/29/98/81/978299881.db2.gz NHHHLCMEJTXBOM-KRWDZBQOSA-N -1 0 340.379 2.794 20 50 EFGDRM Cc1csc(/C(C#N)=C/c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC000731664138 978299898 /nfs/dbraw/zinc/29/98/98/978299898.db2.gz XUPVJGRVTXLJNQ-NYYWCZLTSA-N -1 0 345.336 2.887 20 50 EFGDRM C[C@H](Oc1ccccc1F)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736709051 978352130 /nfs/dbraw/zinc/35/21/30/978352130.db2.gz MYVMVUGBFRZMHL-VIFPVBQESA-N -1 0 349.270 2.805 20 50 EFGDRM CCCc1c(C(=O)NNc2ncccc2Cl)[nH]c(C)c1C(=O)[O-] ZINC000737042347 978374492 /nfs/dbraw/zinc/37/44/92/978374492.db2.gz BBYLXGYXKAKCEV-UHFFFAOYSA-N -1 0 336.779 2.779 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1C ZINC000737050127 978376277 /nfs/dbraw/zinc/37/62/77/978376277.db2.gz KAKYVFFFPLQNNO-DQXUBXGMSA-N -1 0 343.427 2.791 20 50 EFGDRM CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000737195659 978387519 /nfs/dbraw/zinc/38/75/19/978387519.db2.gz UFYIDASNCUJMPU-UKTHLTGXSA-N -1 0 340.335 2.600 20 50 EFGDRM C[C@H](CCc1ccco1)NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001592551957 978435834 /nfs/dbraw/zinc/43/58/34/978435834.db2.gz GXVBYULVUQEFQT-SNVBAGLBSA-N -1 0 335.335 2.764 20 50 EFGDRM COc1ccccc1C(=O)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000738115638 978480456 /nfs/dbraw/zinc/48/04/56/978480456.db2.gz MHMYUOCRXLHGNG-UHFFFAOYSA-N -1 0 337.335 2.639 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)CC(=O)[O-])c(C)n1CCC(C)C ZINC000738230276 978503845 /nfs/dbraw/zinc/50/38/45/978503845.db2.gz JNXKQKBTKIYZOE-SXGWCWSVSA-N -1 0 331.416 2.601 20 50 EFGDRM Cc1cc(C)cc(OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738364728 978524736 /nfs/dbraw/zinc/52/47/36/978524736.db2.gz UUXMEBWTCFUQGQ-UHFFFAOYSA-N -1 0 345.307 2.894 20 50 EFGDRM Cc1cc(NS(=O)(=O)c2ccc(CCCl)cc2)c(C(=O)[O-])[nH]1 ZINC000738463818 978543013 /nfs/dbraw/zinc/54/30/13/978543013.db2.gz VNWHIBCTNDFGRA-UHFFFAOYSA-N -1 0 342.804 2.603 20 50 EFGDRM Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000738691521 978588652 /nfs/dbraw/zinc/58/86/52/978588652.db2.gz CIZCQIAQSAXUJI-UHFFFAOYSA-N -1 0 346.251 2.729 20 50 EFGDRM Cc1cccc(O[C@@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738734749 978598208 /nfs/dbraw/zinc/59/82/08/978598208.db2.gz PDQDTQXBGBETDP-NSHDSACASA-N -1 0 345.307 2.974 20 50 EFGDRM Cc1cccc(NC(=S)NNC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738736481 978599031 /nfs/dbraw/zinc/59/90/31/978599031.db2.gz NOJKVZCHGRHMJU-UHFFFAOYSA-N -1 0 344.396 2.716 20 50 EFGDRM Cc1ncc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)s1 ZINC000738882909 978606891 /nfs/dbraw/zinc/60/68/91/978606891.db2.gz DLSILHUNNPFRSY-HWKANZROSA-N -1 0 334.309 2.677 20 50 EFGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000738923799 978610213 /nfs/dbraw/zinc/61/02/13/978610213.db2.gz ZQNKHILDXQSTJH-UHFFFAOYSA-N -1 0 335.791 2.618 20 50 EFGDRM O=C([O-])[C@@H](NNC(=O)CCOc1ccccc1)c1cccc(Cl)c1 ZINC000739250122 978623761 /nfs/dbraw/zinc/62/37/61/978623761.db2.gz ATYHGTKJKZMLOX-INIZCTEOSA-N -1 0 348.786 2.556 20 50 EFGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)CCc3ccccc3)c2c1 ZINC000739258824 978625316 /nfs/dbraw/zinc/62/53/16/978625316.db2.gz CLYBPNOGJIMIGU-UHFFFAOYSA-N -1 0 335.363 2.949 20 50 EFGDRM O=C([O-])c1cc(OC(=O)CSCc2cccnc2)ccc1[N+](=O)[O-] ZINC000739338651 978630239 /nfs/dbraw/zinc/63/02/39/978630239.db2.gz VAJJXDZGUWDBRP-UHFFFAOYSA-N -1 0 348.336 2.527 20 50 EFGDRM O=C([O-])CSCCC(=O)NN(Cc1ccccc1)c1ccccc1 ZINC000739847220 978657055 /nfs/dbraw/zinc/65/70/55/978657055.db2.gz XGDFWBNTCTYLSP-UHFFFAOYSA-N -1 0 344.436 2.932 20 50 EFGDRM O=C([O-])Nc1ccccc1C(=O)NNC(=O)CCCc1cccs1 ZINC000740045781 978665135 /nfs/dbraw/zinc/66/51/35/978665135.db2.gz KKISVGJYBAZDAE-UHFFFAOYSA-N -1 0 347.396 2.622 20 50 EFGDRM O=C([O-])c1cc(OC(=O)[C@@H]2Cc3ccccc3S2)ccc1[N+](=O)[O-] ZINC000740088122 978667820 /nfs/dbraw/zinc/66/78/20/978667820.db2.gz QYCXHMDYVTTWPQ-AWEZNQCLSA-N -1 0 345.332 2.915 20 50 EFGDRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3cnn(CCCl)c3)nc2c1 ZINC000740188608 978671595 /nfs/dbraw/zinc/67/15/95/978671595.db2.gz DZNPTQXHUWOBCG-RJRFIUFISA-N -1 0 344.758 2.639 20 50 EFGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)c3ccccc3F)c2c1 ZINC000740189367 978671743 /nfs/dbraw/zinc/67/17/43/978671743.db2.gz JGYOADLTAVHTOH-UHFFFAOYSA-N -1 0 325.299 2.769 20 50 EFGDRM CCCC[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)[O-] ZINC000764915749 978723755 /nfs/dbraw/zinc/72/37/55/978723755.db2.gz PCMMFJPRVAUHSA-CQSZACIVSA-N -1 0 347.864 2.780 20 50 EFGDRM C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000773101353 978744454 /nfs/dbraw/zinc/74/44/54/978744454.db2.gz FJILLCZLZCKBCH-LLVKDONJSA-N -1 0 346.770 2.956 20 50 EFGDRM C[C@@H](Oc1ccc(C=NNC(=O)CCc2ccccc2)cc1)C(=O)[O-] ZINC000794904745 978827356 /nfs/dbraw/zinc/82/73/56/978827356.db2.gz BEYZRIOPTFWRPS-CQSZACIVSA-N -1 0 340.379 2.621 20 50 EFGDRM CC(=NNC(=O)c1ccc2c(c1)OCO2)[C@H](C)CCCCC(=O)[O-] ZINC000814699212 978874509 /nfs/dbraw/zinc/87/45/09/978874509.db2.gz BBWVRYLICGNKFQ-LLVKDONJSA-N -1 0 334.372 2.802 20 50 EFGDRM CC(=NNC(=O)[C@@H]1COc2ccccc2O1)[C@H](C)CCCCC(=O)[O-] ZINC000814700817 978874598 /nfs/dbraw/zinc/87/45/98/978874598.db2.gz DYTQJNDAKYSHJX-WBMJQRKESA-N -1 0 348.399 2.600 20 50 EFGDRM C[C@H]1C(=NNC(=O)c2cc(-c3ccccc3)n[nH]2)CC[C@H]1CC(=O)[O-] ZINC000814706095 978875127 /nfs/dbraw/zinc/87/51/27/978875127.db2.gz CPZYLVPUULJJGQ-YPMHNXCESA-N -1 0 340.383 2.683 20 50 EFGDRM CC(=NNC(=O)Cc1nc(C)cs1)[C@@H](C)CCCCC(=O)[O-] ZINC000814779635 978883877 /nfs/dbraw/zinc/88/38/77/978883877.db2.gz QBJOVQQGNRYPCU-JTQLQIEISA-N -1 0 325.434 2.767 20 50 EFGDRM C[C@H]1C(=NNC(=O)c2cn(C)c3ccccc23)CC[C@@H]1CC(=O)[O-] ZINC000814777069 978884147 /nfs/dbraw/zinc/88/41/47/978884147.db2.gz LKBZFJRFGKQDJK-VXGBXAGGSA-N -1 0 327.384 2.785 20 50 EFGDRM CC(=NNC(=O)[C@H]1Cc2ccccc2O1)[C@H](C)CCCCC(=O)[O-] ZINC000814826365 978889979 /nfs/dbraw/zinc/88/99/79/978889979.db2.gz URVKSOWXLGKSFA-MLGOLLRUSA-N -1 0 332.400 2.763 20 50 EFGDRM C[C@@H]1C(=NNC(=O)c2cccc(OC(F)F)c2)CC[C@@H]1CC(=O)[O-] ZINC000814835116 978890824 /nfs/dbraw/zinc/89/08/24/978890824.db2.gz HXAPNULRLNSAKY-VHSXEESVSA-N -1 0 340.326 2.895 20 50 EFGDRM C[C@H]1C(=NNC(=O)Nc2ccc(N(C)C)cc2)CC[C@@H]1CC(=O)[O-] ZINC000814856085 978892981 /nfs/dbraw/zinc/89/29/81/978892981.db2.gz APFQJNSXRZNEQL-VXGBXAGGSA-N -1 0 332.404 2.751 20 50 EFGDRM C[C@H]1C(=NNC(=O)c2cc(-c3cccs3)n[nH]2)CC[C@@H]1CC(=O)[O-] ZINC000814876515 978895463 /nfs/dbraw/zinc/89/54/63/978895463.db2.gz WYSFDGQATIPDFT-NXEZZACHSA-N -1 0 346.412 2.745 20 50 EFGDRM CC[C@H](C)c1ncc(NC(=O)NNc2cccc(C(=O)[O-])c2)cn1 ZINC001595019333 979095201 /nfs/dbraw/zinc/09/52/01/979095201.db2.gz YAIKPCWWOIKKIO-JTQLQIEISA-N -1 0 329.360 2.837 20 50 EFGDRM C[C@@H](CNC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC001592676715 979097956 /nfs/dbraw/zinc/09/79/56/979097956.db2.gz WKFAWTUXZYSROS-ZDUSSCGKSA-N -1 0 327.384 2.744 20 50 EFGDRM CC[C@H](C)n1ncc(C(=O)NNc2cccc(C(=O)[O-])c2C)c1C ZINC001595022407 979105301 /nfs/dbraw/zinc/10/53/01/979105301.db2.gz BICAUQJZAFDKLH-JTQLQIEISA-N -1 0 330.388 2.926 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000836717976 979249064 /nfs/dbraw/zinc/24/90/64/979249064.db2.gz RLDMUPLEUFKUEV-NSHDSACASA-N -1 0 328.206 2.811 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000836719724 979250054 /nfs/dbraw/zinc/25/00/54/979250054.db2.gz XLXMUNQUESWWHB-RYUDHWBXSA-N -1 0 342.233 2.608 20 50 EFGDRM C[C@@H](F)CCNC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001592950845 980032387 /nfs/dbraw/zinc/03/23/87/980032387.db2.gz RVABXXSDNWJEQT-SSDOTTSWSA-N -1 0 348.172 2.522 20 50 EFGDRM CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)c1nccs1 ZINC001595253118 980227410 /nfs/dbraw/zinc/22/74/10/980227410.db2.gz UPPJCCZKFNJKRU-NSHDSACASA-N -1 0 334.401 2.927 20 50 EFGDRM CC[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)c1nccs1 ZINC001595253117 980227496 /nfs/dbraw/zinc/22/74/96/980227496.db2.gz UPPJCCZKFNJKRU-LLVKDONJSA-N -1 0 334.401 2.927 20 50 EFGDRM CC[C@@](O)(CC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC001595320938 980506408 /nfs/dbraw/zinc/50/64/08/980506408.db2.gz ATETVPQLJBVARJ-GOSISDBHSA-N -1 0 346.358 2.655 20 50 EFGDRM CC[C@H](OC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)C(=O)[O-] ZINC001595331834 980575646 /nfs/dbraw/zinc/57/56/46/980575646.db2.gz LKWMVZRXAHAQJW-AFPAYPHJSA-N -1 0 348.399 2.626 20 50 EFGDRM CC[C@H](Oc1ccccc1C)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595357417 980722196 /nfs/dbraw/zinc/72/21/96/980722196.db2.gz YXQMKXIMIZJRFR-INIZCTEOSA-N -1 0 342.395 2.923 20 50 EFGDRM CC[C@@H](Oc1ccccc1C)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595357418 980722333 /nfs/dbraw/zinc/72/23/33/980722333.db2.gz YXQMKXIMIZJRFR-MRXNPFEDSA-N -1 0 342.395 2.923 20 50 EFGDRM CCC[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccccn1 ZINC001595535740 981377907 /nfs/dbraw/zinc/37/79/07/981377907.db2.gz GJSSRMXACILOEC-LBPRGKRZSA-N -1 0 331.347 2.946 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000909295654 981462857 /nfs/dbraw/zinc/46/28/57/981462857.db2.gz FUFCQVCZWHPMJR-NWDGAFQWSA-N -1 0 342.233 2.781 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000909493568 981509546 /nfs/dbraw/zinc/50/95/46/981509546.db2.gz FYUOGMSKDXQSFG-LBPRGKRZSA-N -1 0 344.205 2.898 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000909633993 981558513 /nfs/dbraw/zinc/55/85/13/981558513.db2.gz QMYLAEULTOZHTB-IUCAKERBSA-N -1 0 334.235 2.800 20 50 EFGDRM CC[C@H](C(=O)[O-])C(=O)NNc1c(Cl)cccc1Br ZINC001594755359 981665348 /nfs/dbraw/zinc/66/53/48/981665348.db2.gz HUZLIEGUYLWDDY-LURJTMIESA-N -1 0 335.585 2.656 20 50 EFGDRM CC[C@@H](C(=O)[O-])C(=O)NNc1ccc(Cl)c(Br)c1 ZINC001594755791 981669570 /nfs/dbraw/zinc/66/95/70/981669570.db2.gz SKSJWMNZERRQIB-SSDOTTSWSA-N -1 0 335.585 2.656 20 50 EFGDRM CCCCC[C@@H](NS(=O)(=O)c1ccc(CCl)cc1)C(=O)[O-] ZINC001595688076 982182877 /nfs/dbraw/zinc/18/28/77/982182877.db2.gz WPXDTDFLVYIWIT-CYBMUJFWSA-N -1 0 333.837 2.737 20 50 EFGDRM CCCCS[C@H](C)C(=O)NNc1ccc(C(=O)[O-])cc1OC ZINC001595786348 982576012 /nfs/dbraw/zinc/57/60/12/982576012.db2.gz TZGZCACOCCFPMF-SNVBAGLBSA-N -1 0 326.418 2.758 20 50 EFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1C ZINC001595802899 982621691 /nfs/dbraw/zinc/62/16/91/982621691.db2.gz MNYLPXMMGHOIDV-ZXMBATIKSA-N -1 0 343.427 2.745 20 50 EFGDRM CCCCn1cc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)c(C)n1 ZINC001595805471 982631255 /nfs/dbraw/zinc/63/12/55/982631255.db2.gz VUWASPOLNDIYEF-UHFFFAOYSA-N -1 0 330.388 2.755 20 50 EFGDRM CC[C@@H](C)CC[C@H](O)CC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594958032 982693697 /nfs/dbraw/zinc/69/36/97/982693697.db2.gz PBWUYMNAQXWSIY-PWSUYJOCSA-N -1 0 326.368 2.544 20 50 EFGDRM C[C@@H](Oc1ccc(C=NNC(=O)c2ccccc2Cl)cc1)C(=O)[O-] ZINC001084591982 982923340 /nfs/dbraw/zinc/92/33/40/982923340.db2.gz XULKJKDTBUOODN-LLVKDONJSA-N -1 0 346.770 2.956 20 50 EFGDRM CCCNC(=O)/C(C#N)=C\c1ccc(C(=O)[O-])c(Br)c1 ZINC001595915364 983013581 /nfs/dbraw/zinc/01/35/81/983013581.db2.gz JLVYQNHEAAVVSS-POHAHGRESA-N -1 0 337.173 2.580 20 50 EFGDRM CCCOc1ccc(C(=O)NN=Cc2cc(C(=O)[O-])co2)cc1OC ZINC001595954401 983136818 /nfs/dbraw/zinc/13/68/18/983136818.db2.gz GPIRDWXLNIKSJU-UHFFFAOYSA-N -1 0 346.339 2.539 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)OC2CC(C(=O)[O-])C2)c1C ZINC001596108756 983435693 /nfs/dbraw/zinc/43/56/93/983435693.db2.gz OBQUIURRMNYGKF-CHHVJCJISA-N -1 0 330.384 2.828 20 50 EFGDRM CCN(CC(=O)NNc1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001596207182 983594160 /nfs/dbraw/zinc/59/41/60/983594160.db2.gz PYNXGTMXWFEJET-UHFFFAOYSA-N -1 0 327.384 2.663 20 50 EFGDRM C=C(CCC(=O)[O-])C(=O)NNc1ccc(Cl)cc1Br ZINC001588630670 983745284 /nfs/dbraw/zinc/74/52/84/983745284.db2.gz WQFLBCVSYZSZMF-UHFFFAOYSA-N -1 0 347.596 2.967 20 50 EFGDRM CCOC(=O)C(C#N)=CN[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001596509575 984272048 /nfs/dbraw/zinc/27/20/48/984272048.db2.gz QJGDWHYSSJLKGQ-JKVPJNLHSA-N -1 0 342.395 2.510 20 50 EFGDRM C[C@H](OCc1ccccc1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599906238 984925913 /nfs/dbraw/zinc/92/59/13/984925913.db2.gz LORSJEZMGFHQEC-NSHDSACASA-N -1 0 332.331 2.572 20 50 EFGDRM CCOC(=O)c1ccc(NNC(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC001596724838 984979901 /nfs/dbraw/zinc/97/99/01/984979901.db2.gz YUIFURSWOMNONN-UHFFFAOYSA-N -1 0 342.351 2.627 20 50 EFGDRM CCO[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC001596761757 985156088 /nfs/dbraw/zinc/15/60/88/985156088.db2.gz DBWADRFZTVJEBB-MRXNPFEDSA-N -1 0 344.367 2.614 20 50 EFGDRM CCO/C=C(/C#N)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001596861582 985637312 /nfs/dbraw/zinc/63/73/12/985637312.db2.gz DPNULHZRXSSONP-KGTBHZDVSA-N -1 0 342.273 2.548 20 50 EFGDRM CCO/C=C(/C#N)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001596864152 985661831 /nfs/dbraw/zinc/66/18/31/985661831.db2.gz UQALCFDYYMVNCU-SSZFMOIBSA-N -1 0 342.395 2.610 20 50 EFGDRM CC(=O)[C@@H]1C[C@H](CC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C1(C)C ZINC001589230938 985781796 /nfs/dbraw/zinc/78/17/96/985781796.db2.gz MVCDJZFYGSTMIR-MFKMUULPSA-N -1 0 336.363 2.608 20 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CCOc1ncccc1NC(=O)NNc1cccc(C(=O)[O-])c1C ZINC001597201659 987104690 /nfs/dbraw/zinc/10/46/90/987104690.db2.gz BISJGGSXELYYAG-UHFFFAOYSA-N -1 0 330.344 2.636 20 50 EFGDRM CC[C@H](C(=O)NNC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC001594735431 987268316 /nfs/dbraw/zinc/26/83/16/987268316.db2.gz ASSHIGDXTUOJSG-LBPRGKRZSA-N -1 0 347.396 2.793 20 50 EFGDRM CC[C@@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1c(C)noc1C ZINC001594737658 987282270 /nfs/dbraw/zinc/28/22/70/987282270.db2.gz ZZPWMXWETLEPNN-CQSZACIVSA-N -1 0 331.372 2.555 20 50 EFGDRM CCSc1cc(C(=O)NNc2cccc(C(=O)[O-])c2C)ccn1 ZINC001597268214 987308784 /nfs/dbraw/zinc/30/87/84/987308784.db2.gz TWUJZNOJNUYEIC-UHFFFAOYSA-N -1 0 331.397 2.957 20 50 EFGDRM CCc1c(C(=O)NNc2cccc(F)c2C(=O)[O-])cnn1C(C)(C)C ZINC001597410680 987694603 /nfs/dbraw/zinc/69/46/03/987694603.db2.gz CZLZNVMZPGTRIJ-UHFFFAOYSA-N -1 0 348.378 2.795 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001589698308 987779909 /nfs/dbraw/zinc/77/99/09/987779909.db2.gz AIBROIWRXZISIK-JRPNMDOOSA-N -1 0 346.265 2.899 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)OCc1nc(C(=O)[O-])cs1 ZINC001589698640 987781748 /nfs/dbraw/zinc/78/17/48/987781748.db2.gz GEIKKXALKOFYSK-MRVPVSSYSA-N -1 0 336.207 2.694 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001589699850 987788302 /nfs/dbraw/zinc/78/83/02/987788302.db2.gz SPTRFNQZXXJIFU-JTQLQIEISA-N -1 0 347.184 2.777 20 50 EFGDRM CC(C)(C)CC(=O)NNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001589740692 988009105 /nfs/dbraw/zinc/00/91/05/988009105.db2.gz AALKDSANRBCLDD-UHFFFAOYSA-N -1 0 345.758 2.766 20 50 EFGDRM CC(C)(C)CC(=O)NNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001589740964 988013158 /nfs/dbraw/zinc/01/31/58/988013158.db2.gz VFQKEKOJMQVXKX-UHFFFAOYSA-N -1 0 344.371 2.522 20 50 EFGDRM CCc1ccc(C(=O)NNC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001597500937 988061762 /nfs/dbraw/zinc/06/17/62/988061762.db2.gz FCAYRRMKHDWQNZ-UHFFFAOYSA-N -1 0 341.367 2.722 20 50 EFGDRM CCc1cccc(CNC(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001597586998 988408185 /nfs/dbraw/zinc/40/81/85/988408185.db2.gz NHLKTWFORHGYTC-UHFFFAOYSA-N -1 0 331.347 2.913 20 50 EFGDRM CCc1cnc(CNC(=O)NNc2cccc(C(=O)[O-])c2C)s1 ZINC001597629147 988591688 /nfs/dbraw/zinc/59/16/88/988591688.db2.gz WEAOHUHYIXCFNV-UHFFFAOYSA-N -1 0 334.401 2.538 20 50 EFGDRM CCc1nc(OC)ccc1NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001597686441 988849180 /nfs/dbraw/zinc/84/91/80/988849180.db2.gz OMRHMYZECLEHSV-UHFFFAOYSA-N -1 0 348.334 2.639 20 50 EFGDRM CCn1cc(Cl)c(NC(=O)NNc2ccc(C(=O)[O-])cc2F)n1 ZINC001597892979 989749126 /nfs/dbraw/zinc/74/91/26/989749126.db2.gz GHAZRFZNLCHWGK-UHFFFAOYSA-N -1 0 341.730 2.542 20 50 EFGDRM CC(C)(C)OC1CC(CC(=O)NNc2ccc(C(=O)[O-])cc2F)C1 ZINC001590374649 989870309 /nfs/dbraw/zinc/87/03/09/989870309.db2.gz PZRIRYLBUPIWAE-UHFFFAOYSA-N -1 0 338.379 2.951 20 50 EFGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001590451504 990012996 /nfs/dbraw/zinc/01/29/96/990012996.db2.gz MJPPOKVHWCLKID-FRRDWIJNSA-N -1 0 327.497 2.720 20 50 EFGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])on2)C1 ZINC001590452151 990017906 /nfs/dbraw/zinc/01/79/06/990017906.db2.gz YZDXSEVUQKKXAI-SNVBAGLBSA-N -1 0 340.452 2.609 20 50 EFGDRM CC(C)(C)c1ccc(C(=O)NNc2ccc(CC(=O)[O-])cc2)nc1 ZINC001590481614 990075214 /nfs/dbraw/zinc/07/52/14/990075214.db2.gz KMUQXPMAIDDWKM-UHFFFAOYSA-N -1 0 327.384 2.763 20 50 EFGDRM CC(C)(CCl)CS(=O)(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001590700997 990414519 /nfs/dbraw/zinc/41/45/19/990414519.db2.gz BYSLQNQUWQPMKE-UHFFFAOYSA-N -1 0 347.864 2.558 20 50 EFGDRM CN(C)[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001598163086 990667624 /nfs/dbraw/zinc/66/76/24/990667624.db2.gz NTTUVQUGTHXZIO-OAHLLOKOSA-N -1 0 347.802 2.784 20 50 EFGDRM CC(C)[C@@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1cccnc1 ZINC001590958761 991048540 /nfs/dbraw/zinc/04/85/40/991048540.db2.gz YSNLNBGGHMAKSV-CQSZACIVSA-N -1 0 331.347 2.802 20 50 EFGDRM CN(C)N(C(=O)CCCC1CCCC1)c1nc(CC(=O)[O-])cs1 ZINC001598255299 991057854 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CC1(C)CCC(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820590638 1446687164 /nfs/dbraw/zinc/68/71/64/1446687164.db2.gz XMNMBXAWZUTSGG-UHFFFAOYSA-N -1 0 326.404 2.799 20 50 EFGDRM O=C(CCC1CCCCC1)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822950592 1449422966 /nfs/dbraw/zinc/42/29/66/1449422966.db2.gz UKLCKKGOKLXUEN-UHFFFAOYSA-N -1 0 332.433 2.739 20 50 EFGDRM CCc1ccc(C(C)=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736688737 1449705419 /nfs/dbraw/zinc/70/54/19/1449705419.db2.gz RLBHBMHAECXMDD-UHFFFAOYSA-N -1 0 334.383 2.583 20 50 EFGDRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820648605 1450204257 /nfs/dbraw/zinc/20/42/57/1450204257.db2.gz CUJWJJWGEHORIE-RISCZKNCSA-N -1 0 343.435 2.708 20 50 EFGDRM CC(C)(CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824152777 1450230803 /nfs/dbraw/zinc/23/08/03/1450230803.db2.gz MQUVHVHOTDDYFI-UHFFFAOYSA-N -1 0 336.399 2.678 20 50 EFGDRM O=C(NN=C1CCC[C@@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129131 1450285101 /nfs/dbraw/zinc/28/51/01/1450285101.db2.gz ORRZZUCFQHEZGH-MRXNPFEDSA-N -1 0 346.394 2.920 20 50 EFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)C2CCC(C)(C)CC2)o1 ZINC000820202793 945375111 /nfs/dbraw/zinc/37/51/11/945375111.db2.gz LQXCNWYKTAYHHK-UHFFFAOYSA-N -1 0 347.423 2.638 20 50 EFGDRM N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)N(CC(F)(F)F)C1CC1 ZINC000126432372 949264812 /nfs/dbraw/zinc/26/48/12/949264812.db2.gz ZTSKGSWZTIYKMR-GHXNOFRVSA-N -1 0 338.285 2.845 20 50 EFGDRM O=C([O-])c1cccc(C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001595241185 949455690 /nfs/dbraw/zinc/45/56/90/949455690.db2.gz BTHQLGHKQXKLSF-UHFFFAOYSA-N -1 0 335.703 2.703 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001595261827 949674310 /nfs/dbraw/zinc/67/43/10/949674310.db2.gz JWYLAHMODRBKNI-CABCVRRESA-N -1 0 339.395 2.882 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC001595262133 949678656 /nfs/dbraw/zinc/67/86/56/949678656.db2.gz RFMOSUVFAPXULL-UHFFFAOYSA-N -1 0 331.759 2.608 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001595262043 949680220 /nfs/dbraw/zinc/68/02/20/949680220.db2.gz ORCOEZBWECFANR-STQMWFEESA-N -1 0 329.331 2.556 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC001595262283 949685487 /nfs/dbraw/zinc/68/54/87/949685487.db2.gz WVXGGNUMKXYJCO-OAHLLOKOSA-N -1 0 340.383 2.592 20 50 EFGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1C ZINC001589666906 949898152 /nfs/dbraw/zinc/89/81/52/949898152.db2.gz FFMLNGYCYFQIJS-GFEYRYLTSA-N -1 0 343.427 2.791 20 50 EFGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)CC(=O)[O-])c1C ZINC001589668186 949917995 /nfs/dbraw/zinc/91/79/95/949917995.db2.gz ZLIVKBKHQJHPSM-YUSFRKCESA-N -1 0 331.416 2.791 20 50 EFGDRM CCCN(NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)C(=O)OC(C)(C)C ZINC001589673203 949952968 /nfs/dbraw/zinc/95/29/68/949952968.db2.gz AYFGHLNWEYWCTR-UHFFFAOYSA-N -1 0 342.436 2.802 20 50 EFGDRM CCOc1ccc(/C=C(\C#N)C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC001592425650 951327325 /nfs/dbraw/zinc/32/73/25/951327325.db2.gz HKRBMYHIKHWHMV-NTCAYCPXSA-N -1 0 342.395 2.706 20 50 EFGDRM O=C([O-])CCCCC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl ZINC001595032722 951381517 /nfs/dbraw/zinc/38/15/17/951381517.db2.gz NUBXJWLZZWNXGB-UHFFFAOYSA-N -1 0 348.186 2.791 20 50 EFGDRM O=C([O-])CCc1cccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)c1 ZINC001595064157 951534991 /nfs/dbraw/zinc/53/49/91/951534991.db2.gz DJMXPSQYOFYQKG-UHFFFAOYSA-N -1 0 344.327 2.761 20 50 EFGDRM CCc1ccc(C(=O)NNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001593635588 953608444 /nfs/dbraw/zinc/60/84/44/953608444.db2.gz XAGSQBDYMZYNCS-UHFFFAOYSA-N -1 0 345.330 2.553 20 50 EFGDRM O=C([O-])c1ccnc(NC(=O)NNc2ccc(C(F)(F)F)cc2)c1 ZINC001594780193 953623410 /nfs/dbraw/zinc/62/34/10/953623410.db2.gz MZRDHQNRZVZUMG-UHFFFAOYSA-N -1 0 340.261 2.947 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(-c2ccco2)s1 ZINC001594781174 953630080 /nfs/dbraw/zinc/63/00/80/953630080.db2.gz IIOHUFWCADURCK-UHFFFAOYSA-N -1 0 329.337 2.858 20 50 EFGDRM O=C([O-])c1cc(C(=O)NNc2ccccc2Oc2ccccc2)[nH]n1 ZINC001594781543 953634626 /nfs/dbraw/zinc/63/46/26/953634626.db2.gz CZEUKRPECSPSTI-UHFFFAOYSA-N -1 0 338.323 2.657 20 50 EFGDRM O=C([O-])[C@@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC001594835338 954021268 /nfs/dbraw/zinc/02/12/68/954021268.db2.gz FJWQARAXPICUDK-GFCCVEGCSA-N -1 0 346.305 2.919 20 50 EFGDRM O=C([O-])[C@@H](C(=O)NN=c1[nH]cc(Cl)cc1Cl)C1CCCC1 ZINC001594835857 954026104 /nfs/dbraw/zinc/02/61/04/954026104.db2.gz MGCIHHXMWODNBV-SNVBAGLBSA-N -1 0 332.187 2.723 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2ccc(OCc3ccccc3)cc2)CCC1 ZINC001594867303 954319668 /nfs/dbraw/zinc/31/96/68/954319668.db2.gz KTGUAVFYENMYDU-UHFFFAOYSA-N -1 0 340.379 2.964 20 50 EFGDRM CC[C@H](C(=O)NNC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC001589428963 954639169 /nfs/dbraw/zinc/63/91/69/954639169.db2.gz BHFKIXCEVWEVCM-ZDUSSCGKSA-N -1 0 341.367 2.731 20 50 EFGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1cccc(Br)c1 ZINC001589475822 954957499 /nfs/dbraw/zinc/95/74/99/954957499.db2.gz MJGPCRSKTPVTBV-UHFFFAOYSA-N -1 0 329.194 2.783 20 50 EFGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1ccc([N+](=O)[O-])cc1Cl ZINC001589476093 954960723 /nfs/dbraw/zinc/96/07/23/954960723.db2.gz XITFGFRNBXMIFP-UHFFFAOYSA-N -1 0 329.740 2.582 20 50 EFGDRM O=C([O-])C=Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccn2)co1 ZINC001594968119 955077567 /nfs/dbraw/zinc/07/75/67/955077567.db2.gz LBFZFLNCHUUORD-UPHRSURJSA-N -1 0 341.245 2.548 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1C ZINC000737050076 955218401 /nfs/dbraw/zinc/21/84/01/955218401.db2.gz IEOLGHKQEFFZTP-DZZSIBQASA-N -1 0 331.416 2.601 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC2(C(=O)[O-])CCC2)c1C ZINC000737837984 955227750 /nfs/dbraw/zinc/22/77/50/955227750.db2.gz VFUMQOJZEQVRBV-MHWRWJLKSA-N -1 0 343.427 2.793 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](C)C(=O)[O-])c(C)n1CC(C)C ZINC000738378252 955239069 /nfs/dbraw/zinc/23/90/69/955239069.db2.gz CNSUXGHNVPCQAM-YNUIFBACSA-N -1 0 331.416 2.505 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)NC[C@H](C)C(=O)[O-])c(C)n1CC(C)C ZINC000738378242 955239212 /nfs/dbraw/zinc/23/92/12/955239212.db2.gz CNSUXGHNVPCQAM-VQZCYCSMSA-N -1 0 331.416 2.505 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(C(=O)[O-])CCCC2)c1C ZINC000739378304 955254102 /nfs/dbraw/zinc/25/41/02/955254102.db2.gz QHDZKLLELKBZLQ-WJDWOHSUSA-N -1 0 343.427 2.936 20 50 EFGDRM O=C([O-])Cn1cc(NC(=O)CCCC[C@H]2CCSS2)cn1 ZINC000739899493 955256136 /nfs/dbraw/zinc/25/61/36/955256136.db2.gz OXDUOQYHLOUAQU-NSHDSACASA-N -1 0 329.447 2.620 20 50 EFGDRM O=C([O-])C1CCC(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)CC1 ZINC000776635450 955331436 /nfs/dbraw/zinc/33/14/36/955331436.db2.gz IJZIHCXTJAEHTE-LGRYLLKZSA-N -1 0 344.249 2.700 20 50 EFGDRM O=C([O-])C1CCC(=NNC(=O)c2ccccc2Br)CC1 ZINC000814684684 955356911 /nfs/dbraw/zinc/35/69/11/955356911.db2.gz DLZBOKKJXXXMFK-UHFFFAOYSA-N -1 0 339.189 2.810 20 50 EFGDRM C[C@@H]1CCN(C(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)C[C@@H]1C(=O)[O-] ZINC000843333493 955637310 /nfs/dbraw/zinc/63/73/10/955637310.db2.gz SWNVLUVGBOQMIC-JLPNCARGSA-N -1 0 344.249 2.509 20 50 EFGDRM O=C(CCCC[C@@H]1CCSS1)NCC1(C(=O)[O-])CCOCC1 ZINC000843336890 955643248 /nfs/dbraw/zinc/64/32/48/955643248.db2.gz GAFKZGHMVSIDGK-GFCCVEGCSA-N -1 0 347.502 2.698 20 50 EFGDRM C[C@H](CSCc1ccccc1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589077461 955832815 /nfs/dbraw/zinc/83/28/15/955832815.db2.gz XVFOADOMTVDMFV-GFCCVEGCSA-N -1 0 345.424 2.792 20 50 EFGDRM C[C@@H](CSCc1ccccc1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589077462 955833711 /nfs/dbraw/zinc/83/37/11/955833711.db2.gz XVFOADOMTVDMFV-LBPRGKRZSA-N -1 0 345.424 2.792 20 50 EFGDRM C[C@@]1(C(=O)NN=c2[nH]cccc2C(=O)[O-])CCCc2ccccc21 ZINC001589182133 956534385 /nfs/dbraw/zinc/53/43/85/956534385.db2.gz ZTYKFLPKVZMVTI-GOSISDBHSA-N -1 0 325.368 2.517 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CCc1ccc(C(F)F)cc1 ZINC001594688005 956722256 /nfs/dbraw/zinc/72/22/56/956722256.db2.gz YDRROBKHXAGABU-UHFFFAOYSA-N -1 0 335.310 2.793 20 50 EFGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNc1cccc(F)c1Br ZINC001589218840 956749069 /nfs/dbraw/zinc/74/90/69/956749069.db2.gz DZUVDHDNGOYPSO-ZDUSSCGKSA-N -1 0 345.168 2.532 20 50 EFGDRM C[C@]1(CNC(=O)Nc2ccccc2C(=O)[O-])C[C@H]1Br ZINC001589246511 956928773 /nfs/dbraw/zinc/92/87/73/956928773.db2.gz GXNFROHBIOPHIW-ZWNOBZJWSA-N -1 0 327.178 2.680 20 50 EFGDRM Cc1cc(Br)ccc1NNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594273459 957690190 /nfs/dbraw/zinc/69/01/90/957690190.db2.gz MPMBUAIGEYLGCM-VHSXEESVSA-N -1 0 341.205 2.702 20 50 EFGDRM Cc1cc(C)c2cc(C(=O)NNc3ncccc3C(=O)[O-])sc2n1 ZINC001594294576 957863998 /nfs/dbraw/zinc/86/39/98/957863998.db2.gz WBDZJJHKOLKKAW-UHFFFAOYSA-N -1 0 342.380 2.763 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC001574819662 957901693 /nfs/dbraw/zinc/90/16/93/957901693.db2.gz BJIPJAFOXVCUJL-UHFFFAOYSA-N -1 0 348.721 2.811 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)c1nc2ccccc2cc1Cl ZINC001574821043 957911875 /nfs/dbraw/zinc/91/18/75/957911875.db2.gz YRVYYIIVCSDOAN-UHFFFAOYSA-N -1 0 342.742 2.738 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC(C(=O)[O-])C2)c(C)n1CCC(C)C ZINC001594301361 957915849 /nfs/dbraw/zinc/91/58/49/957915849.db2.gz YBUZIOOEEDYYLS-LZYBPNLTSA-N -1 0 343.427 2.601 20 50 EFGDRM Cc1cc(Cl)ccc1NNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001594308245 957990456 /nfs/dbraw/zinc/99/04/56/957990456.db2.gz UKGCXIFVIYFBPM-UHFFFAOYSA-N -1 0 328.821 2.690 20 50 EFGDRM COc1cc(NNC(=O)Nc2cc(C(=O)[O-])ccn2)ccc1Cl ZINC001594066505 958138116 /nfs/dbraw/zinc/13/81/16/958138116.db2.gz OGAURSFAXVWUBR-UHFFFAOYSA-N -1 0 336.735 2.590 20 50 EFGDRM Cc1cc(NNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)ccc1Br ZINC001594325194 958160544 /nfs/dbraw/zinc/16/05/44/958160544.db2.gz GHRJICYFVPPUDN-NSHDSACASA-N -1 0 343.221 2.948 20 50 EFGDRM COc1ccc(C2CC2)c(NC(=O)NN=c2[nH]cccc2C(=O)[O-])c1 ZINC001594085384 958307058 /nfs/dbraw/zinc/30/70/58/958307058.db2.gz KFJXEBBFVASYKN-UHFFFAOYSA-N -1 0 342.355 2.814 20 50 EFGDRM C#Cc1ccc(NC(=O)NN=c2[nH]cccc2C(=O)[O-])c(Cl)c1 ZINC001573327563 958491324 /nfs/dbraw/zinc/49/13/24/958491324.db2.gz QZJDWPMUKLOTOX-UHFFFAOYSA-N -1 0 330.731 2.563 20 50 EFGDRM Cc1cccc(Br)c1NNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001594386520 958678203 /nfs/dbraw/zinc/67/82/03/958678203.db2.gz MPIROUXJXJNESB-SNVBAGLBSA-N -1 0 343.221 2.948 20 50 EFGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNc1ccc(Br)c(F)c1 ZINC001573389564 958686938 /nfs/dbraw/zinc/68/69/38/958686938.db2.gz BTUGOGHOFUKAEM-SNVBAGLBSA-N -1 0 347.184 2.778 20 50 EFGDRM CSc1c(F)cccc1NC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001594189320 959155405 /nfs/dbraw/zinc/15/54/05/959155405.db2.gz DNPICALKIMJBIR-UHFFFAOYSA-N -1 0 336.348 2.789 20 50 EFGDRM CSc1ccc(NNC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001594193475 959179191 /nfs/dbraw/zinc/17/91/91/959179191.db2.gz HTBJWMUWDFQCIT-UHFFFAOYSA-N -1 0 331.397 2.933 20 50 EFGDRM CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001573559167 959268845 /nfs/dbraw/zinc/26/88/45/959268845.db2.gz FFPGOPBQJWYZTP-LLVKDONJSA-N -1 0 340.811 2.588 20 50 EFGDRM C[C@@H](CSc1ccccc1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001573608130 959463954 /nfs/dbraw/zinc/46/39/54/959463954.db2.gz NEMTYNZPSYJBHZ-NSHDSACASA-N -1 0 331.397 2.651 20 50 EFGDRM C[C@H](NC(=O)NNc1ccc(F)c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573621027 959512030 /nfs/dbraw/zinc/51/20/30/959512030.db2.gz VZWAFSQTAICTNS-INTQDDNPSA-N -1 0 341.358 2.726 20 50 EFGDRM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)CCCCCl ZINC000190771355 959522215 /nfs/dbraw/zinc/52/22/15/959522215.db2.gz NNDQNDINZRNACY-UHFFFAOYSA-N -1 0 326.201 2.799 20 50 EFGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNc1ccc(C#N)cc1C(F)(F)F ZINC001588633705 959631082 /nfs/dbraw/zinc/63/10/82/959631082.db2.gz JSJBWFVVQJJICP-LLVKDONJSA-N -1 0 343.305 2.767 20 50 EFGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NNc1cc(Br)ccc1F ZINC001588634570 959640966 /nfs/dbraw/zinc/64/09/66/959640966.db2.gz RDOLYFMAAXSDSQ-JTQLQIEISA-N -1 0 347.184 2.778 20 50 EFGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1 ZINC001588635043 959648384 /nfs/dbraw/zinc/64/83/84/959648384.db2.gz XLCCGXYANQPVHE-LLVKDONJSA-N -1 0 343.305 2.767 20 50 EFGDRM CC(C)(C)CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(=O)[O-] ZINC001588644783 959724241 /nfs/dbraw/zinc/72/42/41/959724241.db2.gz CSDSVYLUUMCPHB-NRMKIYEFSA-N -1 0 330.384 2.695 20 50 EFGDRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C ZINC001573760221 960610347 /nfs/dbraw/zinc/61/03/47/960610347.db2.gz WRXZTXJANYZFCM-STKCSNAVSA-N -1 0 345.443 2.990 20 50 EFGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1ccc(Br)c(F)c1 ZINC001573784443 960728488 /nfs/dbraw/zinc/72/84/88/960728488.db2.gz BEKASZVWAOIPIH-UHFFFAOYSA-N -1 0 347.184 2.922 20 50 EFGDRM Cc1ccc2[nH]c(C(=O)NNc3ncccc3C(=O)[O-])c(Cl)c2c1 ZINC001574382392 961114187 /nfs/dbraw/zinc/11/41/87/961114187.db2.gz RARNWIMXPOZRER-UHFFFAOYSA-N -1 0 344.758 2.980 20 50 EFGDRM O=C([O-])COc1ccc(C=NNC(=O)c2cc3ccccc3o2)cc1 ZINC000254750930 961322981 /nfs/dbraw/zinc/32/29/81/961322981.db2.gz USZKPPLPOUBCIZ-UHFFFAOYSA-N -1 0 338.319 2.660 20 50 EFGDRM CC(C)=CCOc1cccc(C(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001588797844 961407713 /nfs/dbraw/zinc/40/77/13/961407713.db2.gz YGIAPGIDHONJRZ-UHFFFAOYSA-N -1 0 341.367 2.882 20 50 EFGDRM Cn1ccc(C(=O)NN=c2[nH]cccc2C(=O)[O-])c1-c1ccccc1 ZINC001574456544 961515879 /nfs/dbraw/zinc/51/58/79/961515879.db2.gz NSCBJNNKFGBGPE-UHFFFAOYSA-N -1 0 336.351 2.542 20 50 EFGDRM O=C([O-])c1cccnc1NNC(=O)Cn1ccc2ccc(Cl)cc21 ZINC001574539492 961939996 /nfs/dbraw/zinc/93/99/96/961939996.db2.gz FMWBZBGBSMPDQZ-UHFFFAOYSA-N -1 0 344.758 2.531 20 50 EFGDRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)CO1 ZINC001574685091 962599804 /nfs/dbraw/zinc/59/98/04/962599804.db2.gz AADVSEBSNWQQJF-SCZZXKLOSA-N -1 0 347.198 2.706 20 50 EFGDRM O=C([O-])CC[C@H]1C[C@H](C(=O)NNc2ccc(Cl)cc2Cl)CO1 ZINC001574685093 962599810 /nfs/dbraw/zinc/59/98/10/962599810.db2.gz AADVSEBSNWQQJF-WPRPVWTQSA-N -1 0 347.198 2.706 20 50 EFGDRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2 ZINC001526758386 962902817 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O=C([O-])[C@H](C(=O)NNc1c(Cl)cccc1Br)C1CC1 ZINC001605898086 972707694 /nfs/dbraw/zinc/70/76/94/972707694.db2.gz JJSZSRJWUUNWSG-VIFPVBQESA-N -1 0 347.596 2.656 20 50 EFGDRM Cc1c(Cl)cccc1NNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001605081335 972713816 /nfs/dbraw/zinc/71/38/16/972713816.db2.gz BGKAQWRMCRRAAI-UHFFFAOYSA-N -1 0 334.759 2.869 20 50 EFGDRM Cc1c(Cl)cccc1NNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001605081674 972718711 /nfs/dbraw/zinc/71/87/11/972718711.db2.gz LSMGAUKCEPHSSJ-UHFFFAOYSA-N -1 0 328.821 2.690 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)CCCC(=O)[O-])c(C)n1CC(C)C ZINC001605164218 972856669 /nfs/dbraw/zinc/85/66/69/972856669.db2.gz OCLNOYYKKJTSOH-YVLHZVERSA-N -1 0 345.443 2.991 20 50 EFGDRM O=C([O-])[C@]1(C(=O)NNc2cc(Cl)nc(Cl)c2)CC=CCC1 ZINC001605935581 972875641 /nfs/dbraw/zinc/87/56/41/972875641.db2.gz PXCRQOCAWCEEGC-CYBMUJFWSA-N -1 0 330.171 2.643 20 50 EFGDRM Cc1cc(NNC(=O)C2(C(=O)[O-])CCSCC2)ccc1Cl ZINC001605213394 972955673 /nfs/dbraw/zinc/95/56/73/972955673.db2.gz HETTUKKVVZLEDR-UHFFFAOYSA-N -1 0 328.821 2.690 20 50 EFGDRM Cc1cc(NNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)ccc1Br ZINC001605213590 972958430 /nfs/dbraw/zinc/95/84/30/972958430.db2.gz WRIKMBZPJFXSOL-CQSZACIVSA-N -1 0 341.205 2.702 20 50 EFGDRM Cc1ccc(-c2cc(C(=O)NNc3ncccc3C(=O)[O-])on2)cc1 ZINC001605231937 972983998 /nfs/dbraw/zinc/98/39/98/972983998.db2.gz RKPVBXRORZERCG-UHFFFAOYSA-N -1 0 338.323 2.500 20 50 EFGDRM Cc1cc2ccccc2[nH]c1=NNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001605232880 972987981 /nfs/dbraw/zinc/98/79/81/972987981.db2.gz HOCPFAQLFQKHCV-GOSISDBHSA-N -1 0 325.368 2.797 20 50 EFGDRM Cc1cc2cc(NC(=O)NN=c3[nH]cccc3C(=O)[O-])ccc2[nH]1 ZINC001605233364 972990417 /nfs/dbraw/zinc/99/04/17/972990417.db2.gz VDNAOZSPEKZXFF-UHFFFAOYSA-N -1 0 325.328 2.718 20 50 EFGDRM O=C([O-])/C=C\c1cc(C(=O)NNc2cc(F)c(F)cc2F)co1 ZINC001606064759 973204022 /nfs/dbraw/zinc/20/40/22/973204022.db2.gz PGISHBHSPPFKCR-UPHRSURJSA-N -1 0 326.230 2.552 20 50 EFGDRM Cn1nc(C(=O)[O-])cc1/C=C(\C#N)c1nc(-c2ccncc2)cs1 ZINC001605540474 973747339 /nfs/dbraw/zinc/74/73/39/973747339.db2.gz YILYKKSCNAZCRZ-IZZDOVSWSA-N -1 0 337.364 2.701 20 50 EFGDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1 ZINC001603594315 973820332 /nfs/dbraw/zinc/82/03/32/973820332.db2.gz UDTXMGIJBPKLBL-BLSFAOBESA-N -1 0 330.359 2.836 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001606528702 974038207 /nfs/dbraw/zinc/03/82/07/974038207.db2.gz OZBIIZQDNYXGGV-BDAKNGLRSA-N -1 0 331.294 2.592 20 50 EFGDRM O=C([O-])c1ccc(/C=C/C(=O)NNc2c(F)cc(F)cc2F)o1 ZINC001605659856 974054008 /nfs/dbraw/zinc/05/40/08/974054008.db2.gz NYWHEKGQEBOSGT-DUXPYHPUSA-N -1 0 326.230 2.552 20 50 EFGDRM O=C([O-])c1ccccc1CC(=O)NNc1ccc(Br)cc1 ZINC001605719825 974153511 /nfs/dbraw/zinc/15/35/11/974153511.db2.gz NHBUNLDESLZCNK-UHFFFAOYSA-N -1 0 349.184 2.833 20 50 EFGDRM O=C([O-])c1ccccc1CC(=O)NN=c1[nH]ccc2sccc21 ZINC001605720377 974154094 /nfs/dbraw/zinc/15/40/94/974154094.db2.gz UANCDKLRFVUKJJ-UHFFFAOYSA-N -1 0 327.365 2.680 20 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/nfs/dbraw/zinc/04/56/61/976045661.db2.gz NOIMWEXECYTMJM-UHFFFAOYSA-N -1 0 349.774 2.977 20 50 EFGDRM CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001591923758 976402132 /nfs/dbraw/zinc/40/21/32/976402132.db2.gz SHHBKNCYQWTVQD-UWVGGRQHSA-N -1 0 340.811 2.588 20 50 EFGDRM CC(C)c1c(Cl)ncnc1NNC(=O)c1ccc(C(=O)[O-])s1 ZINC001591923741 976402355 /nfs/dbraw/zinc/40/23/55/976402355.db2.gz SBXMZMKJCVWUCY-UHFFFAOYSA-N -1 0 340.792 2.770 20 50 EFGDRM C[C@H](CC(=O)NNc1ccccc1C(=O)[O-])C(=O)c1ccccc1 ZINC001592252604 977482819 /nfs/dbraw/zinc/48/28/19/977482819.db2.gz NYDJZHOQQKMPLS-GFCCVEGCSA-N -1 0 326.352 2.737 20 50 EFGDRM C[C@@H](CC(=O)[O-])CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001592391581 977937619 /nfs/dbraw/zinc/93/76/19/977937619.db2.gz MMTJFAWVQJWRRS-SSDOTTSWSA-N -1 0 349.265 2.558 20 50 EFGDRM C[C@@H](CC(=O)[O-])CC(=O)NNc1ccc(F)cc1Br ZINC001592391814 977939465 /nfs/dbraw/zinc/93/94/65/977939465.db2.gz RQBVERPTDYCUKA-SSDOTTSWSA-N -1 0 333.157 2.532 20 50 EFGDRM O=C([O-])COc1ccc(C=NNC(=O)CCC2CCCCC2)cc1 ZINC000727260025 978292085 /nfs/dbraw/zinc/29/20/85/978292085.db2.gz IVHBXSPUUNEGSK-UHFFFAOYSA-N -1 0 332.400 2.961 20 50 EFGDRM CC(=O)c1[nH]c(CC(=O)NNc2cccc(Cl)c2)c(C(=O)[O-])c1C ZINC000736178930 978307979 /nfs/dbraw/zinc/30/79/79/978307979.db2.gz XKIYEXRNMOTSIL-UHFFFAOYSA-N -1 0 349.774 2.563 20 50 EFGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1ccnc2cc(Cl)ccc21 ZINC000736376754 978327869 /nfs/dbraw/zinc/32/78/69/978327869.db2.gz XHZNNPLRXSTYOB-CYBMUJFWSA-N -1 0 336.779 2.624 20 50 EFGDRM CC[C@H](C(=O)NN=Cc1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC000736850165 978362090 /nfs/dbraw/zinc/36/20/90/978362090.db2.gz UFZVSJSLDCUGPJ-HNNXBMFYSA-N -1 0 326.352 2.734 20 50 EFGDRM CCOc1cc(C(=O)NNc2ccccc2C)ccc1OCC(=O)[O-] ZINC000737185563 978386020 /nfs/dbraw/zinc/38/60/20/978386020.db2.gz UFTPKJAMXSNHEI-UHFFFAOYSA-N -1 0 344.367 2.614 20 50 EFGDRM CN(NC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000737502207 978412043 /nfs/dbraw/zinc/41/20/43/978412043.db2.gz ZLYHSHCQIHISRB-UHFFFAOYSA-N -1 0 328.372 2.670 20 50 EFGDRM C[C@@H](CCc1cccn1C)NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001592545931 978431114 /nfs/dbraw/zinc/43/11/14/978431114.db2.gz GXRNYCITPQDTNY-NSHDSACASA-N -1 0 348.378 2.510 20 50 EFGDRM COc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1C ZINC000737863084 978451489 /nfs/dbraw/zinc/45/14/89/978451489.db2.gz MJHAESDVDXDEJO-UHFFFAOYSA-N -1 0 331.280 2.829 20 50 EFGDRM COc1ccc(/C=C(/C#N)C(=O)OCc2cc(C(=O)[O-])co2)cc1 ZINC000737984645 978464269 /nfs/dbraw/zinc/46/42/69/978464269.db2.gz DBQNOVRPSUKHMK-SDQBBNPISA-N -1 0 327.292 2.637 20 50 EFGDRM Cc1c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cnn1C(C)(C)C ZINC000738285282 978510906 /nfs/dbraw/zinc/51/09/06/978510906.db2.gz BEWGRIXVIALAMD-UHFFFAOYSA-N -1 0 347.327 2.772 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)NC[C@H](C)C(=O)[O-])c(C)n1CCC(C)C ZINC000738379506 978530543 /nfs/dbraw/zinc/53/05/43/978530543.db2.gz RFIOPYXTHQVRHN-YRUBURHZSA-N -1 0 345.443 2.895 20 50 EFGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738535195 978552388 /nfs/dbraw/zinc/55/23/88/978552388.db2.gz CATNELLECBXHDP-UHFFFAOYSA-N -1 0 335.791 2.998 20 50 EFGDRM Cc1cccc(O[C@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738734747 978598111 /nfs/dbraw/zinc/59/81/11/978598111.db2.gz PDQDTQXBGBETDP-LLVKDONJSA-N -1 0 345.307 2.974 20 50 EFGDRM Cc1nn(CCCl)c(C)c1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000738923334 978609744 /nfs/dbraw/zinc/60/97/44/978609744.db2.gz UBRKHPWDYBZMRF-UHFFFAOYSA-N -1 0 349.818 2.709 20 50 EFGDRM Cn1cccc1C(=O)NN=Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000739044094 978614949 /nfs/dbraw/zinc/61/49/49/978614949.db2.gz YLBTZGHBDTYFDO-UHFFFAOYSA-N -1 0 337.335 2.747 20 50 EFGDRM O=C([O-])c1ccc(O)c(C=NNC(=O)CCCc2cccs2)c1 ZINC000739237856 978623559 /nfs/dbraw/zinc/62/35/59/978623559.db2.gz ZTQHPQAEJGHNLZ-UHFFFAOYSA-N -1 0 332.381 2.625 20 50 EFGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)NC3CCCCC3)c2c1 ZINC000739454026 978638938 /nfs/dbraw/zinc/63/89/38/978638938.db2.gz 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O=C([O-])c1cc(OC(=O)c2csc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000740307409 978674820 /nfs/dbraw/zinc/67/48/20/978674820.db2.gz MLSFGBNNNQIROP-UHFFFAOYSA-N -1 0 334.309 2.846 20 50 EFGDRM O=C([O-])c1cc(OC(=O)c2cc(F)c(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000740308495 978675358 /nfs/dbraw/zinc/67/53/58/978675358.db2.gz URLOLBKNEPLZOH-UHFFFAOYSA-N -1 0 341.197 2.930 20 50 EFGDRM COc1cc(/C=C(\C#N)C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000742575840 978676563 /nfs/dbraw/zinc/67/65/63/978676563.db2.gz PMAMIARPPXOZOM-KRXBUXKQSA-N -1 0 346.217 2.536 20 50 EFGDRM N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)C(=O)c1cccc(C#N)c1 ZINC000771534653 978743736 /nfs/dbraw/zinc/74/37/36/978743736.db2.gz NSOYQPLEKGDENH-LZYBPNLTSA-N -1 0 332.315 2.812 20 50 EFGDRM C[C@@H](Oc1ccc(C=NNC(=O)NC2CCCCC2)cc1)C(=O)[O-] ZINC000794868945 978823679 /nfs/dbraw/zinc/82/36/79/978823679.db2.gz SKSVCWUGXPHSEG-GFCCVEGCSA-N -1 0 333.388 2.504 20 50 EFGDRM Cc1ccccc1C(=O)NN=Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000799873281 978842353 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EFGDRM C[C@H]1C(=NNC(=O)c2cc(-c3ccccc3)on2)CC[C@H]1CC(=O)[O-] ZINC000814790560 978885884 /nfs/dbraw/zinc/88/58/84/978885884.db2.gz PUNXCNPSJHUVLV-YPMHNXCESA-N -1 0 341.367 2.948 20 50 EFGDRM CC(=NNC(=O)Cc1cn2ccccc2n1)[C@H](C)CCCCC(=O)[O-] ZINC000814863859 978894388 /nfs/dbraw/zinc/89/43/88/978894388.db2.gz GCOQLPSHVSVURQ-CYBMUJFWSA-N -1 0 344.415 2.650 20 50 EFGDRM O=C([O-])COc1ccc(C=NNC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000815005921 978900586 /nfs/dbraw/zinc/90/05/86/978900586.db2.gz BHLBCQVUVDJVLP-UHFFFAOYSA-N -1 0 349.293 2.584 20 50 EFGDRM C[C@H]1C(=NNC(=O)Nc2cc(F)cc(F)c2)CC[C@H]1CC(=O)[O-] ZINC000815006053 978900632 /nfs/dbraw/zinc/90/06/32/978900632.db2.gz HOOKOPTWYPMUPM-BDAKNGLRSA-N -1 0 325.315 2.963 20 50 EFGDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NNc2cc(Cl)ccc2Cl)C1 ZINC000831077675 979026914 /nfs/dbraw/zinc/02/69/14/979026914.db2.gz XLIBZWMJMJFFHX-APPZFPTMSA-N -1 0 332.187 2.873 20 50 EFGDRM CC[C@@H](C)c1ncc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cn1 ZINC001595018389 979090405 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CC[C@H](CNC(=O)NNc1ccc(CC(=O)[O-])cc1)CC(F)(F)F ZINC001595149641 979636212 /nfs/dbraw/zinc/63/62/12/979636212.db2.gz IJAMKOKMNPTEMC-JTQLQIEISA-N -1 0 347.337 2.918 20 50 EFGDRM C[C@H](Cc1ccc(F)cc1)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592854090 979648914 /nfs/dbraw/zinc/64/89/14/979648914.db2.gz LFLWIMMQUGDPLW-SNVBAGLBSA-N -1 0 334.322 2.985 20 50 EFGDRM C[C@H](Cc1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1)C(=O)[O-] ZINC001592874076 979738710 /nfs/dbraw/zinc/73/87/10/979738710.db2.gz XGOIVTWEDRFFMU-SECBINFHSA-N -1 0 349.778 2.542 20 50 EFGDRM C[C@@H](Cc1cccc(F)c1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592886178 979773131 /nfs/dbraw/zinc/77/31/31/979773131.db2.gz YWYURJKVVDHFDA-JTQLQIEISA-N -1 0 334.322 2.985 20 50 EFGDRM C[C@H](Cc1ccccc1F)NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592896128 979794956 /nfs/dbraw/zinc/79/49/56/979794956.db2.gz IGFZJOULODKAOF-GFCCVEGCSA-N -1 0 345.374 2.710 20 50 EFGDRM CC[C@](NS(=O)(=O)CC(C)(C)CCl)(C(=O)[O-])c1ccccc1 ZINC001595307266 980464732 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CCO/C=C(\C#N)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001596861587 985637144 /nfs/dbraw/zinc/63/71/44/985637144.db2.gz DPNULHZRXSSONP-OBIHZWKSSA-N -1 0 342.273 2.548 20 50 EFGDRM Cc1[nH]c(C(=O)NNc2ccc(C(F)(F)F)cn2)c(C)c1C(=O)[O-] ZINC001599953761 985653586 /nfs/dbraw/zinc/65/35/86/985653586.db2.gz JSFYLJDNBNWVRT-UHFFFAOYSA-N -1 0 342.277 2.500 20 50 EFGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNc1ccc(C(F)(F)F)cn1 ZINC001599957303 985711124 /nfs/dbraw/zinc/71/11/24/985711124.db2.gz NQDKWRPXMOGJLD-UHFFFAOYSA-N -1 0 342.277 2.500 20 50 EFGDRM CC(=O)c1ccc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1C ZINC001589277452 985994759 /nfs/dbraw/zinc/99/47/59/985994759.db2.gz RNRIHAZVTPDRSS-UHFFFAOYSA-N -1 0 330.315 2.792 20 50 EFGDRM CCOCc1nc(C)c(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)s1 ZINC001596952081 986119071 /nfs/dbraw/zinc/11/90/71/986119071.db2.gz APJTVRPHEMOGDK-UHFFFAOYSA-N -1 0 349.412 2.752 20 50 EFGDRM Cc1c(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)cnn1C(C)(C)C ZINC001599982287 986180111 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CCOc1ccc(NNC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC001597125774 986834145 /nfs/dbraw/zinc/83/41/45/986834145.db2.gz HOWQVNBQMACSRT-APWZRJJASA-N -1 0 340.379 2.787 20 50 EFGDRM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001594650281 986867771 /nfs/dbraw/zinc/86/77/71/986867771.db2.gz BJJQUPLPYQEXIP-BJOHPYRUSA-N -1 0 345.330 2.672 20 50 EFGDRM C[C@H](C(=O)[O-])[C@H](NS(=O)(=O)CC(C)(C)CCl)c1ccccc1 ZINC001589469408 986941871 /nfs/dbraw/zinc/94/18/71/986941871.db2.gz SFUKXNIYVURYFF-AAEUAGOBSA-N -1 0 347.864 2.633 20 50 EFGDRM CCOc1ccccc1CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001597172542 987005625 /nfs/dbraw/zinc/00/56/25/987005625.db2.gz MZYGVZIJPGFNRR-UHFFFAOYSA-N -1 0 329.356 2.610 20 50 EFGDRM CCOc1ccccc1CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001597173006 987010626 /nfs/dbraw/zinc/01/06/26/987010626.db2.gz WBPFHSNVRVVBMC-UHFFFAOYSA-N -1 0 347.346 2.749 20 50 EFGDRM CCOc1ccccc1CCC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001597173885 987022685 /nfs/dbraw/zinc/02/26/85/987022685.db2.gz VCFCQVJBSFWSBX-UHFFFAOYSA-N -1 0 342.395 2.788 20 50 EFGDRM CCOc1ncc(C)cc1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001597197599 987091157 /nfs/dbraw/zinc/09/11/57/987091157.db2.gz IKUZQXCYZAXRQI-UHFFFAOYSA-N -1 0 344.371 2.564 20 50 EFGDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC001589511714 987142050 /nfs/dbraw/zinc/14/20/50/987142050.db2.gz GQFKUJWYPCCCDV-JTQLQIEISA-N -1 0 344.327 2.932 20 50 EFGDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC001589511715 987142233 /nfs/dbraw/zinc/14/22/33/987142233.db2.gz GQFKUJWYPCCCDV-SNVBAGLBSA-N -1 0 344.327 2.932 20 50 EFGDRM CC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1C)c1c(C)noc1C ZINC001594736515 987278079 /nfs/dbraw/zinc/27/80/79/987278079.db2.gz NCMOHJLIJAIWAZ-GFCCVEGCSA-N -1 0 331.372 2.935 20 50 EFGDRM CCSCC[C@@H](C)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001597259390 987281150 /nfs/dbraw/zinc/28/11/50/987281150.db2.gz UAEUOXFMQAZBDB-SECBINFHSA-N -1 0 329.397 2.682 20 50 EFGDRM CC(C)(C(=O)[O-])c1csc(NC(=O)NNc2ccc(C#N)cc2)n1 ZINC001589655549 987616451 /nfs/dbraw/zinc/61/64/51/987616451.db2.gz BNEBPGRIFVKOJO-UHFFFAOYSA-N -1 0 345.384 2.526 20 50 EFGDRM CCc1cc(Br)ccc1NNC(=O)[C@@H](C)CC(=O)[O-] ZINC001597423566 987744937 /nfs/dbraw/zinc/74/49/37/987744937.db2.gz DUINPQQRMDDBQJ-QMMMGPOBSA-N -1 0 329.194 2.565 20 50 EFGDRM CC(C)(C)[C@H](Br)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001589700189 987790285 /nfs/dbraw/zinc/79/02/85/987790285.db2.gz VYIRWZPKRLXAHX-SNVBAGLBSA-N -1 0 329.194 2.715 20 50 EFGDRM CC(C)(C)[C@@H](Br)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001589700516 987791701 /nfs/dbraw/zinc/79/17/01/987791701.db2.gz YGHNSZSJQFUHHB-JTQLQIEISA-N -1 0 329.194 2.638 20 50 EFGDRM CC(C)(C)[C@@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)CCO1 ZINC001589726014 987904555 /nfs/dbraw/zinc/90/45/55/987904555.db2.gz DHOPHFYIDHGQML-GJZGRUSLSA-N -1 0 349.431 2.534 20 50 EFGDRM CC(C)(C)[C@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)CCO1 ZINC001589726018 987904668 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CC(C)(C)OC1CC(CC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001590374541 989869286 /nfs/dbraw/zinc/86/92/86/989869286.db2.gz KXUGAAKNKYOMRR-UHFFFAOYSA-N -1 0 338.379 2.951 20 50 EFGDRM CC(C)(C)SCCNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001590429523 989982594 /nfs/dbraw/zinc/98/25/94/989982594.db2.gz BAPWSUOYSMLUJE-UHFFFAOYSA-N -1 0 329.397 2.682 20 50 EFGDRM CC(C)(C)n1ccnc1SCC(=O)NNc1ccccc1C(=O)[O-] ZINC001590599562 990252829 /nfs/dbraw/zinc/25/28/29/990252829.db2.gz BUVIBJTXVIJPAR-UHFFFAOYSA-N -1 0 348.428 2.572 20 50 EFGDRM CN([C@H](C(=O)[O-])c1cccc(Cl)c1Cl)S(=O)(=O)CCl ZINC001598103919 990478946 /nfs/dbraw/zinc/47/89/46/990478946.db2.gz ZOFGHMAFXQFSPQ-VIFPVBQESA-N -1 0 346.619 2.577 20 50 EFGDRM CC(C)(CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1cccnc1 ZINC001590726314 990515774 /nfs/dbraw/zinc/51/57/74/990515774.db2.gz HSSRWWBOHCWDIE-UHFFFAOYSA-N -1 0 346.362 2.523 20 50 EFGDRM CC(C)(CNC(=O)NNc1cccc(C(=O)[O-])c1F)c1cccnc1 ZINC001590726656 990519820 /nfs/dbraw/zinc/51/98/20/990519820.db2.gz SGZNEFDCTWEQHY-UHFFFAOYSA-N -1 0 346.362 2.523 20 50 EFGDRM COc1cccc2[nH]c(C(=O)NNc3cccc(C(=O)[O-])c3)cc21 ZINC001599688084 991020328 /nfs/dbraw/zinc/02/03/28/991020328.db2.gz ICMSLGLRGOBCTF-UHFFFAOYSA-N -1 0 325.324 2.632 20 50 EFGDRM COc1ccccc1/C(C)=C\C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599698071 991178068 /nfs/dbraw/zinc/17/80/68/991178068.db2.gz PSWZFZOGSYERJA-BENRWUELSA-N -1 0 326.352 2.940 20 50 EFGDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NNc1cccc(Cl)n1 ZINC001598300697 991247575 /nfs/dbraw/zinc/24/75/75/991247575.db2.gz XMOVDPURWACVGI-UHFFFAOYSA-N -1 0 349.778 2.648 20 50 EFGDRM CN(C)c1ccc(CCC(=O)NNc2cccc(F)c2C(=O)[O-])cc1 ZINC001598317888 991309187 /nfs/dbraw/zinc/30/91/87/991309187.db2.gz QOKYJKPSIFNQOS-UHFFFAOYSA-N -1 0 345.374 2.666 20 50 EFGDRM COc1ccccc1[C@@H](C)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599718621 991499095 /nfs/dbraw/zinc/49/90/95/991499095.db2.gz MJAMVQWWPIQVKX-SNVBAGLBSA-N -1 0 347.346 2.920 20 50 EFGDRM COc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599718918 991503239 /nfs/dbraw/zinc/50/32/39/991503239.db2.gz JFKYRSDSAMFDPF-QWHCGFSZSA-N -1 0 344.342 2.779 20 50 EFGDRM COc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001599719201 991507534 /nfs/dbraw/zinc/50/75/34/991507534.db2.gz WTAXNAZZGYWYDD-JKSUJKDBSA-N -1 0 340.379 2.949 20 50 EFGDRM CC(C)C[C@@H](C)CC(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001591132589 991830812 /nfs/dbraw/zinc/83/08/12/991830812.db2.gz AQXPANRDPBSCFL-LLVKDONJSA-N -1 0 327.450 2.652 20 50 EFGDRM CC(C)CCC(=O)NNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001591213891 992068267 /nfs/dbraw/zinc/06/82/67/992068267.db2.gz HZTDUZIDOULWNF-UHFFFAOYSA-N -1 0 335.404 2.638 20 50 EFGDRM CC(C)Cc1cc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc(=O)[nH]1 ZINC001591476319 992593967 /nfs/dbraw/zinc/59/39/67/992593967.db2.gz XJWLGRROZRUYRL-UHFFFAOYSA-N -1 0 347.346 2.580 20 50 EFGDRM CN(Cc1ccccc1CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC001598529729 992764999 /nfs/dbraw/zinc/76/49/99/992764999.db2.gz VRQJIUUOAKPFPQ-UHFFFAOYSA-N -1 0 328.368 2.587 20 50 EFGDRM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc(CCl)c1 ZINC001598545594 992941406 /nfs/dbraw/zinc/94/14/06/992941406.db2.gz JKTPLUBKZFJSQO-UHFFFAOYSA-N -1 0 339.800 2.949 20 50 EFGDRM CN1CC[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2F)c2ccccc21 ZINC001598578783 993313665 /nfs/dbraw/zinc/31/36/65/993313665.db2.gz LTMZJHYVJKEZBM-GFCCVEGCSA-N -1 0 343.358 2.591 20 50 EFGDRM COc1ccc(F)cc1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599584669 993596628 /nfs/dbraw/zinc/59/66/28/993596628.db2.gz PSXVGXKSDAPHPY-UHFFFAOYSA-N -1 0 333.319 2.610 20 50 EFGDRM COc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2C)c(OC)c1 ZINC001599594164 993727527 /nfs/dbraw/zinc/72/75/27/993727527.db2.gz NAYKZGZOSZMFTL-UHFFFAOYSA-N -1 0 345.355 2.859 20 50 EFGDRM C[C@](NC(=O)NNc1cccc(C(=O)[O-])c1F)(C1CC1)C(F)(F)F ZINC001593101578 993735959 /nfs/dbraw/zinc/73/59/59/993735959.db2.gz HLPYMLRLVGVPQZ-ZDUSSCGKSA-N -1 0 349.284 2.881 20 50 EFGDRM COc1ccc(NNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)nc1 ZINC001599597497 993767894 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C[C@]1(C(=O)NNc2cccc(F)c2C(=O)[O-])CCc2ccccc21 ZINC001593754839 996399753 /nfs/dbraw/zinc/39/97/53/996399753.db2.gz DCZSPXLMVBPMNF-SFHVURJKSA-N -1 0 328.343 2.871 20 50 EFGDRM C[C@@]1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)C[C@H]1Br ZINC001593759571 996415752 /nfs/dbraw/zinc/41/57/52/996415752.db2.gz FGZXESYTQHHYSG-PRHODGIISA-N -1 0 348.580 2.856 20 50 EFGDRM CC(C)(CCl)CS(=O)(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593899470 996764134 /nfs/dbraw/zinc/76/41/34/996764134.db2.gz LJFMEBCIEPXMLN-AWEZNQCLSA-N -1 0 339.885 2.594 20 50 EFGDRM COC[C@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC001599174621 996818531 /nfs/dbraw/zinc/81/85/31/996818531.db2.gz RNIMCBMMFTXUSK-HNNXBMFYSA-N -1 0 347.346 2.538 20 50 EFGDRM COc1cc(C)c(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1OC ZINC001599389655 997010542 /nfs/dbraw/zinc/01/05/42/997010542.db2.gz FJNYOCVJEIBCMI-UHFFFAOYSA-N -1 0 348.330 2.606 20 50 EFGDRM COc1cc(C)c(NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1F ZINC001599392174 997057719 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C[C@@]1(CNC(=O)Nc2cccc(C(=O)[O-])c2)C[C@@H]1Br ZINC001594022045 997544440 /nfs/dbraw/zinc/54/44/40/997544440.db2.gz QGZKIVYOLMJQAL-GWCFXTLKSA-N -1 0 327.178 2.680 20 50 EFGDRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2cccc(CCl)c2)C(=O)[O-])C1 ZINC001599111393 997575197 /nfs/dbraw/zinc/57/51/97/997575197.db2.gz WZLAISMMARXISY-YUELXQCFSA-N -1 0 339.819 2.814 20 50 EFGDRM COCCN(CC(C)C)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001599234802 997926356 /nfs/dbraw/zinc/92/63/56/997926356.db2.gz DGOZOAKUEFXRPS-JKSUJKDBSA-N -1 0 349.431 2.516 20 50 EFGDRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001594077490 997954890 /nfs/dbraw/zinc/95/48/90/997954890.db2.gz WGBRRGBHEYJBHV-QAPCUYQASA-N -1 0 343.358 2.880 20 50 EFGDRM COc1ccc(CCC(=O)NNc2ccc(C)c(C(=O)[O-])c2)cc1F ZINC001599553025 998041983 /nfs/dbraw/zinc/04/19/83/998041983.db2.gz UIKUTVUOLUDQOK-UHFFFAOYSA-N -1 0 346.358 2.917 20 50 EFGDRM COc1ccc(CCC(=O)NNc2cccc(C(=O)[O-])c2C)cc1 ZINC001599553089 998043223 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CC(C)(C(=O)NNc1ccccc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833412110 605721340 /nfs/dbraw/zinc/72/13/40/605721340.db2.gz WLPZMMVCDFLBRD-UHFFFAOYSA-N -1 0 343.339 2.714 20 50 EFGDRM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833539066 605730804 /nfs/dbraw/zinc/73/08/04/605730804.db2.gz JXCRAUXISCQGPV-LBPRGKRZSA-N -1 0 340.379 2.784 20 50 EFGDRM C[C@@H](Oc1cccc(Cl)c1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833541433 605732261 /nfs/dbraw/zinc/73/22/61/605732261.db2.gz UZEHPMVPZZZAOC-SNVBAGLBSA-N -1 0 334.759 2.949 20 50 EFGDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833462855 605732598 /nfs/dbraw/zinc/73/25/98/605732598.db2.gz MMAGWPHNJFAHBB-UHFFFAOYSA-N -1 0 339.351 2.557 20 50 EFGDRM CC(C)Oc1ncc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1Cl ZINC000833508031 605734657 /nfs/dbraw/zinc/73/46/57/605734657.db2.gz SBMVZNCHFRDTDY-UHFFFAOYSA-N -1 0 349.774 2.977 20 50 EFGDRM CCCc1c(C(=O)NNc2cccc(C(=O)[O-])c2)[nH]c(C)c1C(C)=O ZINC000833653174 605738497 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EFGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNc1cc(C(F)(F)F)ccc1F ZINC000833468980 606000897 /nfs/dbraw/zinc/00/08/97/606000897.db2.gz SNDUXNXCKSCLEK-JTQLQIEISA-N -1 0 337.273 2.580 20 50 EFGDRM Cc1cc(C)c(C(=O)N[N-]C(=O)c2cc3ccccc3o2)cc1C=O ZINC000793616422 1279775831 /nfs/dbraw/zinc/77/58/31/1279775831.db2.gz VOFKHPIIOLNINR-UHFFFAOYSA-N -1 0 336.347 2.937 20 50 EFGDRM COc1ccc(C=C(C#N)C(=O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737076211 1428442993 /nfs/dbraw/zinc/44/29/93/1428442993.db2.gz NATRCHBABWOJKT-MDWZMJQESA-N -1 0 349.325 2.804 20 50 EFGDRM CC(C)c1ccsc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824352585 1428735683 /nfs/dbraw/zinc/73/56/83/1428735683.db2.gz JMULLUHKEJRHLI-UHFFFAOYSA-N -1 0 328.401 2.809 20 50 EFGDRM O=C(NN=C1CCC[C@@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738128741 1428824641 /nfs/dbraw/zinc/82/46/41/1428824641.db2.gz KTFTXHWRZMQYPC-MRXNPFEDSA-N -1 0 346.394 2.920 20 50 EFGDRM Cc1c2cccc(C)c2oc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826234964 1429023279 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CC1(C)C[C@]1(C(=O)[O-])C(=O)NNc1ccc(F)cc1Br ZINC001603321130 972641324 /nfs/dbraw/zinc/64/13/24/972641324.db2.gz PRGNYHWFJPKIRE-CYBMUJFWSA-N -1 0 345.168 2.532 20 50 EFGDRM O=C([O-])[C@@H](C(=O)NNc1cc(Cl)nc2ncccc12)C1CCCC1 ZINC001605898461 972713720 /nfs/dbraw/zinc/71/37/20/972713720.db2.gz VLJUODHCDRFWIV-CYBMUJFWSA-N -1 0 348.790 2.617 20 50 EFGDRM O=C([O-])C1(C(=O)NNc2ccnc(C(F)(F)F)c2)CCCCC1 ZINC001605935508 972873666 /nfs/dbraw/zinc/87/36/66/972873666.db2.gz LWZMRNBJIDDDDX-UHFFFAOYSA-N -1 0 331.294 2.579 20 50 EFGDRM O=C([O-])COc1cccc(C(=O)NN=c2[nH]ccc3sccc32)c1 ZINC001606291580 973696609 /nfs/dbraw/zinc/69/66/09/973696609.db2.gz RJVJGHMMEMZLEM-UHFFFAOYSA-N -1 0 343.364 2.517 20 50 EFGDRM O=C([O-])c1ccc(/C=C\C(=O)NNc2ccc(OC(F)F)cc2)o1 ZINC001605659623 974051630 /nfs/dbraw/zinc/05/16/30/974051630.db2.gz GUJFYWDADZMBJF-VURMDHGXSA-N -1 0 338.266 2.736 20 50 EFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CSc1ccc2c(c1)CCC2 ZINC001605711031 974144446 /nfs/dbraw/zinc/14/44/46/974144446.db2.gz MCLZPHNOQASFKD-UHFFFAOYSA-N -1 0 343.408 2.504 20 50 EFGDRM CC(C)Oc1cccc(CC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001591792116 975993687 /nfs/dbraw/zinc/99/36/87/975993687.db2.gz GZPLFNYTLCQDBG-UHFFFAOYSA-N -1 0 346.358 2.997 20 50 EFGDRM CC(C)[C@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)C(F)(F)F ZINC001591886036 976253446 /nfs/dbraw/zinc/25/34/46/976253446.db2.gz WMIJGYNKMHBOGU-LBPRGKRZSA-N -1 0 333.310 2.527 20 50 EFGDRM CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001591923762 976402363 /nfs/dbraw/zinc/40/23/63/976402363.db2.gz SHHBKNCYQWTVQD-ZJUUUORDSA-N -1 0 340.811 2.588 20 50 EFGDRM CC(C)c1ncc(Cl)c(C(=O)NNc2cccc(C(=O)[O-])c2)n1 ZINC001592033596 976748018 /nfs/dbraw/zinc/74/80/18/976748018.db2.gz KODILLKFXYAOTR-UHFFFAOYSA-N -1 0 334.763 2.709 20 50 EFGDRM C[C@H](CC(=O)NNc1cccc(C(=O)[O-])c1)C(=O)c1ccccc1 ZINC001592251631 977479558 /nfs/dbraw/zinc/47/95/58/977479558.db2.gz GZAQZLZLHFOETC-GFCCVEGCSA-N -1 0 326.352 2.737 20 50 EFGDRM C[C@@H](CC(=O)[O-])CC(=O)NNc1ccc(Br)c(F)c1 ZINC001592391322 977936255 /nfs/dbraw/zinc/93/62/55/977936255.db2.gz HOARHXKXRQKFSG-SSDOTTSWSA-N -1 0 333.157 2.532 20 50 EFGDRM CC(=O)c1[nH]c(CC(=O)NNc2cc(C)cc(C)c2)c(C(=O)[O-])c1C ZINC000736178110 978308256 /nfs/dbraw/zinc/30/82/56/978308256.db2.gz RGSYILQKHFUKJS-UHFFFAOYSA-N -1 0 343.383 2.527 20 50 EFGDRM CC(=O)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)s1 ZINC000736191492 978308844 /nfs/dbraw/zinc/30/88/44/978308844.db2.gz DFEARUSPIFWBLD-UHFFFAOYSA-N -1 0 335.293 2.776 20 50 EFGDRM CC(C)(C(=O)NN[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000736223745 978310363 /nfs/dbraw/zinc/31/03/63/978310363.db2.gz LZGUUZIUIFCAAA-HNNXBMFYSA-N -1 0 330.359 2.550 20 50 EFGDRM C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736703205 978349969 /nfs/dbraw/zinc/34/99/69/978349969.db2.gz PLMOWYZSJPTCGA-VIFPVBQESA-N -1 0 349.270 2.805 20 50 EFGDRM C[C@H]1CCC[C@@H](OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000736779007 978355390 /nfs/dbraw/zinc/35/53/90/978355390.db2.gz HSQSCAYRVNZWNT-WDEREUQCSA-N -1 0 337.328 2.794 20 50 EFGDRM C[C@@H]1CCCC[C@H]1OCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736786958 978355764 /nfs/dbraw/zinc/35/57/64/978355764.db2.gz XKOLKHXZELQMSR-QMTHXVAHSA-N -1 0 337.328 2.794 20 50 EFGDRM CC[C@H](C(=O)NNC(=O)c1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736845403 978359901 /nfs/dbraw/zinc/35/99/01/978359901.db2.gz BXQGPXIZYBADAR-HNNXBMFYSA-N -1 0 341.367 2.731 20 50 EFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c1C ZINC000737051657 978376975 /nfs/dbraw/zinc/37/69/75/978376975.db2.gz XVTZOEKAJDEGSB-GDNBJRDFSA-N -1 0 331.416 2.744 20 50 EFGDRM C[C@@H](CCOc1ccccc1)C(=O)NNc1ccccc1C(=O)[O-] ZINC001592529117 978384015 /nfs/dbraw/zinc/38/40/15/978384015.db2.gz NXUFZXATNXXEGN-ZDUSSCGKSA-N -1 0 328.368 2.933 20 50 EFGDRM CCOc1ccccc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000737212178 978389170 /nfs/dbraw/zinc/38/91/70/978389170.db2.gz AJCUYTYKNBDLOD-UHFFFAOYSA-N -1 0 331.280 2.911 20 50 EFGDRM C[C@@H](CCc1ccco1)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001592552404 978439617 /nfs/dbraw/zinc/43/96/17/978439617.db2.gz YLSZPIJUBDJLQX-JTQLQIEISA-N -1 0 335.335 2.764 20 50 EFGDRM COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1F ZINC000737946536 978461852 /nfs/dbraw/zinc/46/18/52/978461852.db2.gz BVFCJDGTTYSNGW-UHFFFAOYSA-N -1 0 335.243 2.660 20 50 EFGDRM COc1cccc(/C=C(\C#N)C(=O)OCc2cc(C(=O)[O-])co2)c1 ZINC000738096569 978477375 /nfs/dbraw/zinc/47/73/75/978477375.db2.gz PXNDCFUYUFKDJE-LFYBBSHMSA-N -1 0 327.292 2.637 20 50 EFGDRM CSc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccn1 ZINC000738194912 978498235 /nfs/dbraw/zinc/49/82/35/978498235.db2.gz DECMJCBAFYYWNR-UHFFFAOYSA-N -1 0 334.309 2.629 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)CC(=O)[O-])c(C)n1CCC(C)C ZINC000738230274 978503513 /nfs/dbraw/zinc/50/35/13/978503513.db2.gz JNXKQKBTKIYZOE-CXUHLZMHSA-N -1 0 331.416 2.601 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)NC(C)(C)C(=O)[O-])c(C)n1CC(C)C ZINC000738230901 978504665 /nfs/dbraw/zinc/50/46/65/978504665.db2.gz OVONDRFTMCGXQN-OVCLIPMQSA-N -1 0 331.416 2.647 20 50 EFGDRM Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](C)C(=O)[O-])c(C)n1CCC(C)C ZINC000738379502 978530535 /nfs/dbraw/zinc/53/05/35/978530535.db2.gz RFIOPYXTHQVRHN-LFMVTYOGSA-N -1 0 345.443 2.895 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1CC(C)C ZINC000738380334 978531324 /nfs/dbraw/zinc/53/13/24/978531324.db2.gz XBICMAHQDCVZIN-SXGWCWSVSA-N -1 0 345.443 2.990 20 50 EFGDRM Cc1ccc(OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)c1 ZINC000738637885 978578755 /nfs/dbraw/zinc/57/87/55/978578755.db2.gz AOJJDXFTVPMRSU-UHFFFAOYSA-N -1 0 345.307 2.894 20 50 EFGDRM Cc1ccc(OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000738640088 978579740 /nfs/dbraw/zinc/57/97/40/978579740.db2.gz YXRVBACSZUIRNA-UHFFFAOYSA-N -1 0 331.280 2.586 20 50 EFGDRM O=C([O-])NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000738658712 978582584 /nfs/dbraw/zinc/58/25/84/978582584.db2.gz KHGWNOKYBRVUFU-UHFFFAOYSA-N -1 0 328.353 2.513 20 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/nfs/dbraw/zinc/63/90/75/978639075.db2.gz OKIVKWLZNUHKOH-SECBINFHSA-N -1 0 347.202 2.762 20 50 EFGDRM O=C([O-])[C@@H](NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 ZINC000739503983 978643097 /nfs/dbraw/zinc/64/30/97/978643097.db2.gz GBFMRPFRVZMPNF-RTLPCREESA-N -1 0 346.402 2.789 20 50 EFGDRM O=C([O-])NNC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000740000862 978661877 /nfs/dbraw/zinc/66/18/77/978661877.db2.gz ICAKPBFIYBSQEG-UHFFFAOYSA-N -1 0 327.646 2.585 20 50 EFGDRM O=C([O-])Nc1cccc(C(=O)NNC(=O)CCC2CCCCC2)c1 ZINC000740032634 978663681 /nfs/dbraw/zinc/66/36/81/978663681.db2.gz DIOGWRQAMAEYET-UHFFFAOYSA-N -1 0 333.388 2.898 20 50 EFGDRM O=C([O-])Nc1cccc(C(=O)NNc2cc(F)c(F)cc2F)c1 ZINC000740033303 978664114 /nfs/dbraw/zinc/66/41/14/978664114.db2.gz KDTXZASRDQLTIJ-UHFFFAOYSA-N -1 0 325.246 2.951 20 50 EFGDRM O=C([O-])Nc1cccc(C(=O)NNC(=O)CCCc2ccccc2)c1 ZINC000740034215 978664119 /nfs/dbraw/zinc/66/41/19/978664119.db2.gz UBKZFBYVTVRITP-UHFFFAOYSA-N -1 0 341.367 2.560 20 50 EFGDRM O=C([O-])c1cc(OC(=O)[C@H]2Cc3ccccc3S2)ccc1[N+](=O)[O-] ZINC000740088124 978667682 /nfs/dbraw/zinc/66/76/82/978667682.db2.gz QYCXHMDYVTTWPQ-CQSZACIVSA-N -1 0 345.332 2.915 20 50 EFGDRM CCc1ccccc1OCC(=O)NN=C1CC[C@H](CC(=O)[O-])[C@H]1C ZINC000814723717 978876774 /nfs/dbraw/zinc/87/67/74/978876774.db2.gz BUVYFXRVKXEPOZ-TZMCWYRMSA-N -1 0 332.400 2.621 20 50 EFGDRM C[C@H]1C(=NNC(=O)Cc2c[nH]c3ccccc23)CC[C@@H]1CC(=O)[O-] ZINC000814747297 978879551 /nfs/dbraw/zinc/87/95/51/978879551.db2.gz NVTUGKWUVXYSRF-VXGBXAGGSA-N -1 0 327.384 2.703 20 50 EFGDRM C[C@H]1C(=NNC(=O)Cc2c[nH]c3ccccc23)CC[C@H]1CC(=O)[O-] ZINC000814747293 978879710 /nfs/dbraw/zinc/87/97/10/978879710.db2.gz NVTUGKWUVXYSRF-NEPJUHHUSA-N -1 0 327.384 2.703 20 50 EFGDRM C[C@@H]1C(=NNC(=O)c2cn(C)c3ccccc23)CC[C@@H]1CC(=O)[O-] ZINC000814777065 978884116 /nfs/dbraw/zinc/88/41/16/978884116.db2.gz LKBZFJRFGKQDJK-NWDGAFQWSA-N -1 0 327.384 2.785 20 50 EFGDRM COc1ccc(CCC(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1 ZINC000814814393 978888182 /nfs/dbraw/zinc/88/81/82/978888182.db2.gz JPWMJRWUHACYMW-JSGCOSHPSA-N -1 0 332.400 2.621 20 50 EFGDRM CC(=NNC(=O)Cn1ccc2ccccc21)c1cc(C(=O)[O-])cs1 ZINC000814839366 978891907 /nfs/dbraw/zinc/89/19/07/978891907.db2.gz PMBNXQBDBRWKDH-UHFFFAOYSA-N -1 0 341.392 2.941 20 50 EFGDRM O=C([O-])c1cccc(C=NNC(=O)c2cc(-c3cccs3)n[nH]2)c1 ZINC000814876445 978895304 /nfs/dbraw/zinc/89/53/04/978895304.db2.gz VAUHBWDBBTVYRA-UHFFFAOYSA-N -1 0 340.364 2.600 20 50 EFGDRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CCCC[C@@H]1CCSS1 ZINC000818305711 978908271 /nfs/dbraw/zinc/90/82/71/978908271.db2.gz GBGXWVAUIAMXME-DOMZBBRYSA-N -1 0 347.502 2.793 20 50 EFGDRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CCCC[C@@H]1CCSS1 ZINC000818305715 978908287 /nfs/dbraw/zinc/90/82/87/978908287.db2.gz GBGXWVAUIAMXME-IUODEOHRSA-N -1 0 347.502 2.793 20 50 EFGDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NNc2ccccc2C(F)(F)F)C1 ZINC000831073129 979026682 /nfs/dbraw/zinc/02/66/82/979026682.db2.gz YYBXSWXASHURON-BDAKNGLRSA-N -1 0 331.294 2.585 20 50 EFGDRM CC[C@H](C)c1ncc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cn1 ZINC001595018390 979090529 /nfs/dbraw/zinc/09/05/29/979090529.db2.gz RORCVRCGUHYIML-VIFPVBQESA-N -1 0 347.350 2.976 20 50 EFGDRM C[C@H](CNC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC001592676714 979097847 /nfs/dbraw/zinc/09/78/47/979097847.db2.gz WKFAWTUXZYSROS-CYBMUJFWSA-N -1 0 327.384 2.744 20 50 EFGDRM CC[C@@H](C)n1ncc(C(=O)NNc2cccc(C(=O)[O-])c2C)c1C ZINC001595022408 979105365 /nfs/dbraw/zinc/10/53/65/979105365.db2.gz BICAUQJZAFDKLH-SNVBAGLBSA-N -1 0 330.388 2.926 20 50 EFGDRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)o1 ZINC000833606200 979208585 /nfs/dbraw/zinc/20/85/85/979208585.db2.gz XJSYCESIOHFTLW-GWCFXTLKSA-N -1 0 329.356 2.572 20 50 EFGDRM CC[C@@H](CC(F)(F)F)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001595042450 979235324 /nfs/dbraw/zinc/23/53/24/979235324.db2.gz MIXPRCSVPZTHQV-QMMMGPOBSA-N -1 0 337.273 2.881 20 50 EFGDRM CCC(CC)n1nccc1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001595126297 979516966 /nfs/dbraw/zinc/51/69/66/979516966.db2.gz NSXZFCPSPIGYIE-UHFFFAOYSA-N -1 0 334.351 2.838 20 50 EFGDRM C[C@@H](Cc1ccc(NC(=O)NNc2cccc(F)n2)cc1)C(=O)[O-] ZINC001592872057 979727127 /nfs/dbraw/zinc/72/71/27/979727127.db2.gz IJXVRIPJMMJWMF-JTQLQIEISA-N -1 0 332.335 2.633 20 50 EFGDRM C[C@@H](Cc1cccc(F)c1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001592885794 979771630 /nfs/dbraw/zinc/77/16/30/979771630.db2.gz SLPAOIUKOQPWOM-JTQLQIEISA-N -1 0 334.322 2.985 20 50 EFGDRM C[C@@H](Cc1cccs1)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001592902886 979830527 /nfs/dbraw/zinc/83/05/27/979830527.db2.gz QCIYVLJXNCWSII-VIFPVBQESA-N -1 0 337.376 2.843 20 50 EFGDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(=O)[O-] ZINC000864452651 979936539 /nfs/dbraw/zinc/93/65/39/979936539.db2.gz QVBSIHYKLYYQSU-AWEZNQCLSA-N -1 0 345.848 2.556 20 50 EFGDRM CC[C@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)c1nc(C)cs1 ZINC001595252094 980215181 /nfs/dbraw/zinc/21/51/81/980215181.db2.gz FRECGHCKCIDFGP-ZDUSSCGKSA-N -1 0 348.428 2.856 20 50 EFGDRM CC[C@H](Nc1ccccc1)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595318712 980502735 /nfs/dbraw/zinc/50/27/35/980502735.db2.gz PZYSETKUZAARMN-HNNXBMFYSA-N -1 0 331.347 2.858 20 50 EFGDRM CC[C@H](Oc1cccc(C)c1)C(=O)NNc1ccccc1C(=O)[O-] ZINC001595356139 980709287 /nfs/dbraw/zinc/70/92/87/980709287.db2.gz AVNIEHYFJSLASM-INIZCTEOSA-N -1 0 328.368 2.994 20 50 EFGDRM CC/C=C\CNC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595521228 981339154 /nfs/dbraw/zinc/33/91/54/981339154.db2.gz QDGSGRFTFIQXQG-ARJAWSKDSA-N -1 0 342.193 2.740 20 50 EFGDRM CCC[C@@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccn1 ZINC001595599924 981574913 /nfs/dbraw/zinc/57/49/13/981574913.db2.gz ILTQPMXWCOYYKJ-MRXNPFEDSA-N -1 0 342.399 2.876 20 50 EFGDRM CCCC(O)(CCC)CC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001595604641 981589616 /nfs/dbraw/zinc/58/96/16/981589616.db2.gz MCWGREZMSSNXLK-UHFFFAOYSA-N -1 0 326.368 2.688 20 50 EFGDRM CC[C@@H](C(=O)[O-])C(=O)NNc1c(Cl)cccc1Br ZINC001594755360 981665428 /nfs/dbraw/zinc/66/54/28/981665428.db2.gz 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ZINC001595839579 982755251 /nfs/dbraw/zinc/75/52/51/982755251.db2.gz JZXSNNDZVQNFJR-UHFFFAOYSA-N -1 0 327.384 2.988 20 50 EFGDRM CCCN(NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001595894386 982928585 /nfs/dbraw/zinc/92/85/85/982928585.db2.gz AZMNQGKHWVJVMK-VXGBXAGGSA-N -1 0 328.409 2.556 20 50 EFGDRM CCCOc1nc(C)ccc1C(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001595975684 983212518 /nfs/dbraw/zinc/21/25/18/983212518.db2.gz NBFZPPGEBAKKSG-UHFFFAOYSA-N -1 0 343.383 2.942 20 50 EFGDRM Cc1cc(/C=C(/C#N)C(=O)NCC(=O)[O-])c(C)n1-c1cccc(C)c1 ZINC001574727564 983272437 /nfs/dbraw/zinc/27/24/37/983272437.db2.gz STNRLFIRLAJMFK-SXGWCWSVSA-N -1 0 337.379 2.510 20 50 EFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C ZINC001596108120 983433205 /nfs/dbraw/zinc/43/32/05/983433205.db2.gz PRZFIKPXGULPMM-YVQIEUFPSA-N -1 0 343.427 2.601 20 50 EFGDRM CCN(C)[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC001596190394 983563746 /nfs/dbraw/zinc/56/37/46/983563746.db2.gz 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C[C@@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1cn(C)c2ccccc12 ZINC001589424679 986696445 /nfs/dbraw/zinc/69/64/45/986696445.db2.gz ZKUFLAKERGHARZ-LLVKDONJSA-N -1 0 338.367 2.518 20 50 EFGDRM CCOc1ccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)nc1C ZINC001597120368 986811524 /nfs/dbraw/zinc/81/15/24/986811524.db2.gz MOIKFZPSSQAENT-UHFFFAOYSA-N -1 0 344.371 2.564 20 50 EFGDRM C[C@H]1Oc2ccccc2[C@H]1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594650882 986873591 /nfs/dbraw/zinc/87/35/91/986873591.db2.gz MSPIAWJPMZKEPR-PSLIRLAXSA-N -1 0 345.330 2.672 20 50 EFGDRM C[C@@H](C(=O)[O-])[C@@H](NS(=O)(=O)CC(C)(C)CCl)c1ccccc1 ZINC001589469409 986941821 /nfs/dbraw/zinc/94/18/21/986941821.db2.gz SFUKXNIYVURYFF-DGCLKSJQSA-N -1 0 347.864 2.633 20 50 EFGDRM CCOc1ccccc1NC(=O)/C(C#N)=C\c1cc(C(=O)[O-])co1 ZINC001597179154 987032545 /nfs/dbraw/zinc/03/25/45/987032545.db2.gz HIDRKKOBXSWQLU-XFFZJAGNSA-N -1 0 326.308 2.922 20 50 EFGDRM CCOc1nc(C)ccc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597193621 987079167 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/nfs/dbraw/zinc/42/54/88/604425488.db2.gz ZJKQOVFREFZPIN-UHFFFAOYSA-N -1 0 329.341 2.538 20 50 EFGDRM COc1cc(OC)cc(C(=O)NN=C(C)c2ccc(C(=O)[O-])cc2)c1 ZINC000832040906 604636077 /nfs/dbraw/zinc/63/60/77/604636077.db2.gz LCGRAUXTXIGZMJ-UHFFFAOYSA-N -1 0 342.351 2.556 20 50 EFGDRM CC(C)[C@@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccc(F)cc1 ZINC000833464639 604799979 /nfs/dbraw/zinc/79/99/79/604799979.db2.gz AUFOWRLWSIVQCK-OAHLLOKOSA-N -1 0 331.347 2.802 20 50 EFGDRM CCc1ccc([C@@H](C)CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC000833668822 604801509 /nfs/dbraw/zinc/80/15/09/604801509.db2.gz CWTLQUNEUWSKIW-LBPRGKRZSA-N -1 0 327.384 2.979 20 50 EFGDRM CC(C)COc1ccc(CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1 ZINC000833490415 604804545 /nfs/dbraw/zinc/80/45/45/604804545.db2.gz GGYVYVMEAVOSNH-UHFFFAOYSA-N -1 0 343.383 2.500 20 50 EFGDRM C[C@H](Sc1ccccc1C(=O)NNc1ccc(C#N)cc1)C(=O)[O-] ZINC000833545752 604935371 /nfs/dbraw/zinc/93/53/71/604935371.db2.gz MQYVVTCNIAKABF-NSHDSACASA-N -1 0 341.392 2.880 20 50 EFGDRM Cc1[nH]c(C(=O)NNc2ccc(OC(F)F)cc2)c(C)c1C(=O)[O-] ZINC000833739333 604939992 /nfs/dbraw/zinc/93/99/92/604939992.db2.gz BOALXNWOQPOYTL-UHFFFAOYSA-N -1 0 339.298 2.688 20 50 EFGDRM COc1ccc(NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000833733577 605244940 /nfs/dbraw/zinc/24/49/40/605244940.db2.gz VEBLNBNPUNPNSZ-ZJUUUORDSA-N -1 0 326.780 2.683 20 50 EFGDRM COc1ccc(NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000833733576 605244944 /nfs/dbraw/zinc/24/49/44/605244944.db2.gz VEBLNBNPUNPNSZ-VHSXEESVSA-N -1 0 326.780 2.683 20 50 EFGDRM CC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000833400821 605244950 /nfs/dbraw/zinc/24/49/50/605244950.db2.gz NZFBGGMCQVKUIW-UHFFFAOYSA-N -1 0 349.774 2.943 20 50 EFGDRM C=C(C)[C@H](CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)OCC ZINC000833367752 605245002 /nfs/dbraw/zinc/24/50/02/605245002.db2.gz SWGVDLVDKINFPH-ZDUSSCGKSA-N -1 0 326.780 2.853 20 50 EFGDRM COc1ccc(NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000833733574 605245062 /nfs/dbraw/zinc/24/50/62/605245062.db2.gz VEBLNBNPUNPNSZ-NXEZZACHSA-N -1 0 326.780 2.683 20 50 EFGDRM CC(C)(C)n1cc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000833453176 605247160 /nfs/dbraw/zinc/24/71/60/605247160.db2.gz WEUMGTXPTCJUNW-UHFFFAOYSA-N -1 0 336.779 2.747 20 50 EFGDRM C[C@H]1CC[C@H](CCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)O1 ZINC000833603743 605249111 /nfs/dbraw/zinc/24/91/11/605249111.db2.gz OSEBZQWIOVXWDW-GXSJLCMTSA-N -1 0 326.780 2.829 20 50 EFGDRM CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC000833663469 605252464 /nfs/dbraw/zinc/25/24/64/605252464.db2.gz KKYIAVMDURWAQB-UKTHLTGXSA-N -1 0 337.335 2.724 20 50 EFGDRM CC(C)Oc1cccc(CC(=O)NNc2ccccc2C(=O)[O-])c1 ZINC000833506733 605282205 /nfs/dbraw/zinc/28/22/05/605282205.db2.gz JFTJWAHHVPFOGZ-UHFFFAOYSA-N -1 0 328.368 2.858 20 50 EFGDRM CC(=NNC(=O)NCC(=O)[O-])c1sc(-c2ccc(C)cc2)nc1C ZINC000833384275 605584233 /nfs/dbraw/zinc/58/42/33/605584233.db2.gz GEMLXRQOJYWZKW-UHFFFAOYSA-N -1 0 346.412 2.535 20 50 EFGDRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833539707 605724186 /nfs/dbraw/zinc/72/41/86/605724186.db2.gz PKSPDEKETPQVPG-VIFPVBQESA-N -1 0 336.294 2.574 20 50 EFGDRM CCCN(CC)c1ccc(C(=O)NNc2ccccc2C(=O)[O-])cn1 ZINC000833651313 605724473 /nfs/dbraw/zinc/72/44/73/605724473.db2.gz VNAKHSSLORQQJE-UHFFFAOYSA-N -1 0 342.399 2.773 20 50 EFGDRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)o1 ZINC000833603652 605741341 /nfs/dbraw/zinc/74/13/41/605741341.db2.gz GKELYFAGGRPHNN-HZMBPMFUSA-N -1 0 329.356 2.928 20 50 EFGDRM CCO[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C12CCCC2 ZINC000833660993 605744486 /nfs/dbraw/zinc/74/44/86/605744486.db2.gz RUSBHTXQIXCNHK-LSDHHAIUSA-N -1 0 347.415 2.749 20 50 EFGDRM CCO[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C12CCCC2 ZINC000833660990 605744852 /nfs/dbraw/zinc/74/48/52/605744852.db2.gz RUSBHTXQIXCNHK-HUUCEWRRSA-N -1 0 347.415 2.749 20 50 EFGDRM COCCC1(CNC(=O)NNc2cccc(C(=O)[O-])c2)CCCC1 ZINC000833723263 605747094 /nfs/dbraw/zinc/74/70/94/605747094.db2.gz HRLAUOPZIFLDEK-UHFFFAOYSA-N -1 0 335.404 2.608 20 50 EFGDRM COc1ccccc1C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826217909 1428697345 /nfs/dbraw/zinc/69/73/45/1428697345.db2.gz HUNCCEQNGAORSX-WQLSENKSSA-N -1 0 349.325 2.804 20 50 EFGDRM CC(C)CC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCC1 ZINC000820063158 1429065343 /nfs/dbraw/zinc/06/53/43/1429065343.db2.gz RVPZKXGNWTZOPG-UHFFFAOYSA-N -1 0 347.423 2.638 20 50 EFGDRM CC(C)(C)c1ccc(NNC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000824137274 1429314220 /nfs/dbraw/zinc/31/42/20/1429314220.db2.gz ZXWBGOUYOKOFHX-UHFFFAOYSA-N -1 0 342.428 2.983 20 50 EFGDRM CC1(C)CCCC[C@H]1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824801764 1429372925 /nfs/dbraw/zinc/37/29/25/1429372925.db2.gz IPVWCFZDRZTZEU-ZDUSSCGKSA-N -1 0 328.420 2.916 20 50 EFGDRM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826191059 1429427067 /nfs/dbraw/zinc/42/70/67/1429427067.db2.gz VZRGSCBQEGVFBK-AUWJEWJLSA-N -1 0 349.325 2.804 20 50 EFGDRM CC[C@@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825082941 1423325078 /nfs/dbraw/zinc/32/50/78/1423325078.db2.gz WDEANSPHLUSYQJ-ZDUSSCGKSA-N -1 0 336.399 2.894 20 50 EFGDRM CC(CCCC(C)C)=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820241557 1424092718 /nfs/dbraw/zinc/09/27/18/1424092718.db2.gz GVJHQZMMZDIWQM-UHFFFAOYSA-N -1 0 344.419 2.564 20 50 EFGDRM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(F)cc1 ZINC000822796666 1424529450 /nfs/dbraw/zinc/52/94/50/1424529450.db2.gz UYPASOFSMJOBDE-BJMVGYQFSA-N -1 0 325.328 2.857 20 50 EFGDRM CC(=CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000823942492 1425229448 /nfs/dbraw/zinc/22/94/48/1425229448.db2.gz DAZRZMAHANAQBY-FLIBITNWSA-N -1 0 338.346 2.552 20 50 EFGDRM COc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821854775 1425728280 /nfs/dbraw/zinc/72/82/80/1425728280.db2.gz UZRBMPQEEUMLFM-FLIBITNWSA-N -1 0 337.364 2.727 20 50 EFGDRM O=C(NN=Cc1cc(-c2nn[n-]n2)cs1)c1cccc2ccccc21 ZINC000823273381 1425740487 /nfs/dbraw/zinc/74/04/87/1425740487.db2.gz LINSXKVMWMHLIL-UHFFFAOYSA-N -1 0 348.391 2.845 20 50 EFGDRM CC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000823944008 1425857994 /nfs/dbraw/zinc/85/79/94/1425857994.db2.gz WUYFMILCBIDKDT-LUAWRHEFSA-N -1 0 338.346 2.552 20 50 EFGDRM CCC[C@@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821008234 1425889737 /nfs/dbraw/zinc/88/97/37/1425889737.db2.gz IJHAPKLIBNTXLF-MRVPVSSYSA-N -1 0 342.325 2.765 20 50 EFGDRM Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822361893 1426093970 /nfs/dbraw/zinc/09/39/70/1426093970.db2.gz KDFVJVAVBKLPRJ-ZSOIEALJSA-N -1 0 348.341 2.860 20 50 EFGDRM Cc1ccc(-c2noc(C(C#N)=Cc3ccc(-c4nnn[n-]4)o3)n2)cc1 ZINC000822223540 1426518713 /nfs/dbraw/zinc/51/87/13/1426518713.db2.gz ANCIYBJAGDNSAH-XYOKQWHBSA-N -1 0 345.322 2.882 20 50 EFGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc2sccc2s1 ZINC000826448594 1426664916 /nfs/dbraw/zinc/66/49/16/1426664916.db2.gz BUEDAPSQAROHIR-UHFFFAOYSA-N -1 0 342.409 2.900 20 50 EFGDRM CC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000823943933 1426929845 /nfs/dbraw/zinc/92/98/45/1426929845.db2.gz VKBXBTNOWFANNX-KHPPLWFESA-N -1 0 338.346 2.552 20 50 EFGDRM CCc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825711819 1426955218 /nfs/dbraw/zinc/95/52/18/1426955218.db2.gz GSCGDGTTYYLELD-UHFFFAOYSA-N -1 0 341.350 2.717 20 50 EFGDRM Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822361453 1427531432 /nfs/dbraw/zinc/53/14/32/1427531432.db2.gz BJIFYFQMLYFTBY-DHZHZOJOSA-N -1 0 336.380 2.782 20 50 EFGDRM O=C(NNc1cccc2c1CCCC2)c1sccc1-c1nnn[n-]1 ZINC000826449424 1427624225 /nfs/dbraw/zinc/62/42/25/1427624225.db2.gz RRRBSPQCMYCMSE-UHFFFAOYSA-N -1 0 340.412 2.564 20 50 EFGDRM CSc1ccc(C)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826230266 1427693488 /nfs/dbraw/zinc/69/34/88/1427693488.db2.gz LTRYXYUYIWRRSD-UHFFFAOYSA-N -1 0 340.412 2.654 20 50 EFGDRM Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC000822242524 1427983981 /nfs/dbraw/zinc/98/39/81/1427983981.db2.gz NWUCFFXFCMHLEH-XYOKQWHBSA-N -1 0 334.339 2.622 20 50 EFGDRM C[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000824039876 1429871613 /nfs/dbraw/zinc/87/16/13/1429871613.db2.gz IYINURBFXLHUEP-MRVPVSSYSA-N -1 0 348.819 2.828 20 50 EFGDRM CCC[C@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821008236 1430122415 /nfs/dbraw/zinc/12/24/15/1430122415.db2.gz IJHAPKLIBNTXLF-QMMMGPOBSA-N -1 0 342.325 2.765 20 50 EFGDRM CN(C(=O)C(C#N)=Cc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000736732740 1441827357 /nfs/dbraw/zinc/82/73/57/1441827357.db2.gz PPDKZTNNAHJHIL-RVDMUPIBSA-N -1 0 336.399 2.565 20 50 EFGDRM CC(C=NNC(=O)c1cccc(-c2nn[n-]n2)c1)=Cc1ccccc1 ZINC000735963518 1441880853 /nfs/dbraw/zinc/88/08/53/1441880853.db2.gz GHQQUNSKVZPCPI-GIMJTVCNSA-N -1 0 332.367 2.686 20 50 EFGDRM CC(C)[C@H]1CCCCC1=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820038429 1441923101 /nfs/dbraw/zinc/92/31/01/1441923101.db2.gz NWQZFPYJRCMVLM-CQSZACIVSA-N -1 0 326.404 2.799 20 50 EFGDRM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)F)cc1 ZINC000826448817 1442040546 /nfs/dbraw/zinc/04/05/46/1442040546.db2.gz NDEACKHMPLQAMR-UHFFFAOYSA-N -1 0 330.298 2.561 20 50 EFGDRM Cc1cc[nH]c2nc(C(C#N)=Cc3ccc(-c4nn[n-]n4)cc3F)nc1-2 ZINC000822380158 1442069464 /nfs/dbraw/zinc/06/94/64/1442069464.db2.gz ZHRDJSYCOLODHH-WUXMJOGZSA-N -1 0 346.329 2.650 20 50 EFGDRM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820648604 1442082105 /nfs/dbraw/zinc/08/21/05/1442082105.db2.gz CUJWJJWGEHORIE-FZMZJTMJSA-N -1 0 343.435 2.708 20 50 EFGDRM Cc1cc(Cl)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826267786 1442308501 /nfs/dbraw/zinc/30/85/01/1442308501.db2.gz WTQAXRJBMCLKJO-UHFFFAOYSA-N -1 0 342.790 2.894 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000826447055 1442352248 /nfs/dbraw/zinc/35/22/48/1442352248.db2.gz LBSUMRLBIJMLGT-UHFFFAOYSA-N -1 0 336.380 2.838 20 50 EFGDRM Cc1ccccc1C(C)(C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826305689 1442395234 /nfs/dbraw/zinc/39/52/34/1442395234.db2.gz FWMUJMAILWSMSM-UHFFFAOYSA-N -1 0 336.399 2.596 20 50 EFGDRM COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000737077451 1443288894 /nfs/dbraw/zinc/28/88/94/1443288894.db2.gz UIMFEBVXGIOFEF-MDWZMJQESA-N -1 0 348.322 2.848 20 50 EFGDRM Cc1ccc(-c2noc(C(C#N)=Cc3ccc(-c4nnn[n-]4)o3)n2)cc1 ZINC000822223539 1443647199 /nfs/dbraw/zinc/64/71/99/1443647199.db2.gz ANCIYBJAGDNSAH-WQLSENKSSA-N -1 0 345.322 2.882 20 50 EFGDRM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826259702 1443801306 /nfs/dbraw/zinc/80/13/06/1443801306.db2.gz ASXAFDQOXBCQFA-UHFFFAOYSA-N -1 0 328.763 2.585 20 50 EFGDRM CC1(C)CCC[C@H](C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824803714 1443874363 /nfs/dbraw/zinc/87/43/63/1443874363.db2.gz WIVBNTNNCRFFGQ-LBPRGKRZSA-N -1 0 326.404 2.799 20 50 EFGDRM CC[C@@H](C(=O)NN=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000820843418 1443956653 /nfs/dbraw/zinc/95/66/53/1443956653.db2.gz YPDCZIBNNUAQCM-CQSZACIVSA-N -1 0 340.412 2.572 20 50 EFGDRM Cc1ccc(Cl)c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826288469 1446187835 /nfs/dbraw/zinc/18/78/35/1446187835.db2.gz IINVMNRCFJRODN-UHFFFAOYSA-N -1 0 343.778 2.977 20 50 EFGDRM O=C(NNc1ccc2ccccc2n1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738136634 1446275733 /nfs/dbraw/zinc/27/57/33/1446275733.db2.gz HTGQBPGRWWQBLO-UHFFFAOYSA-N -1 0 346.354 2.564 20 50 EFGDRM COc1ccc(C=C(C#N)c2nc3ccccc3[nH]2)cc1-c1nn[n-]n1 ZINC000737077478 1446328665 /nfs/dbraw/zinc/32/86/65/1446328665.db2.gz UUWPVHUGIDMVPK-WQLSENKSSA-N -1 0 343.350 2.816 20 50 EFGDRM O=C(C[C@H]1CCCc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826405260 1446464208 /nfs/dbraw/zinc/46/42/08/1446464208.db2.gz ZUYCUVUEWQVEBF-OAHLLOKOSA-N -1 0 348.410 2.820 20 50 EFGDRM N#CC(=Cc1cn[nH]c1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826379261 1446470418 /nfs/dbraw/zinc/47/04/18/1446470418.db2.gz NJHNIVABPSOIPE-ACAGNQJTSA-N -1 0 346.379 2.777 20 50 EFGDRM COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737137121 1446567171 /nfs/dbraw/zinc/56/71/71/1446567171.db2.gz DUGGMVNVKTZRER-UVTDQMKNSA-N -1 0 331.335 2.665 20 50 EFGDRM COCc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826164358 1446632639 /nfs/dbraw/zinc/63/26/39/1446632639.db2.gz TYMCADRDKNXNNO-RQZCQDPDSA-N -1 0 345.362 2.803 20 50 EFGDRM Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822213048 1446949696 /nfs/dbraw/zinc/94/96/96/1446949696.db2.gz RYXJVFILPWDLJH-UHFFFAOYSA-N -1 0 345.340 2.672 20 50 EFGDRM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826190747 1449262865 /nfs/dbraw/zinc/26/28/65/1449262865.db2.gz MEEXWFVVORJQCO-SXGWCWSVSA-N -1 0 345.362 2.974 20 50 EFGDRM O=C(CC=Cc1ccc(F)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404781 1449375598 /nfs/dbraw/zinc/37/55/98/1449375598.db2.gz LIKZMQWKGVYITG-UPHRSURJSA-N -1 0 338.346 2.552 20 50 EFGDRM C[C@@H](NC(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824471160 1449501527 /nfs/dbraw/zinc/50/15/27/1449501527.db2.gz OSPODMXGNKBLFM-KWWJGWKXSA-N -1 0 344.378 2.651 20 50 EFGDRM Cc1ccccc1NC(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1 ZINC000826307514 1449876918 /nfs/dbraw/zinc/87/69/18/1449876918.db2.gz LDXZAUKDPNXXMH-GXDHUFHOSA-N -1 0 330.351 2.721 20 50 EFGDRM CCc1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000825700653 1449957376 /nfs/dbraw/zinc/95/73/76/1449957376.db2.gz OAWMPWRSUIHIKK-UHFFFAOYSA-N -1 0 337.387 2.886 20 50 EFGDRM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)c1cc2ccccc2o1 ZINC000822795621 1449963789 /nfs/dbraw/zinc/96/37/89/1449963789.db2.gz DFVIXPWCXFSLKP-XFFZJAGNSA-N -1 0 331.291 2.996 20 50 EFGDRM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000826378966 1450027933 /nfs/dbraw/zinc/02/79/33/1450027933.db2.gz GACZBHHQILNYPD-GHXNOFRVSA-N -1 0 336.286 2.978 20 50 EFGDRM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000826379390 1450048559 /nfs/dbraw/zinc/04/85/59/1450048559.db2.gz QNZURCFQBVEGRM-GXDHUFHOSA-N -1 0 341.334 2.981 20 50 EFGDRM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)F)cc1 ZINC000826446903 1450061852 /nfs/dbraw/zinc/06/18/52/1450061852.db2.gz DEMWMZVYCBKFRD-UHFFFAOYSA-N -1 0 330.298 2.561 20 50 EFGDRM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000824039989 1450112410 /nfs/dbraw/zinc/11/24/10/1450112410.db2.gz KHMPOPOKBFGRSF-JTQLQIEISA-N -1 0 342.790 2.767 20 50 EFGDRM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NNc1ccccc1Cl ZINC000826278264 1450337283 /nfs/dbraw/zinc/33/72/83/1450337283.db2.gz WCDHBAQQMFOTDY-UHFFFAOYSA-N -1 0 343.778 2.977 20 50 EFGDRM