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(/C=C\c1ccc(C(=O)[O-])o1)NNC(=O)c1cccc2ccccc21 ZINC001601236003 970959869 /nfs/dbraw/zinc/95/98/69/970959869.db2.gz LCNKJPMYDOYSRB-LUAWRHEFSA-N -1 0 350.330 2.605 20 50 FFGDRM O=C([O-])CCc1cccc(NC(=O)NNC(=O)c2ccc(Cl)cc2)c1 ZINC001602043060 971127441 /nfs/dbraw/zinc/12/74/41/971127441.db2.gz NGEFLEUGLHAJCC-UHFFFAOYSA-N -1 0 361.785 2.824 20 50 FFGDRM CSc1ccsc1C(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000737189927 944978114 /nfs/dbraw/zinc/97/81/14/944978114.db2.gz DSLRITXRUTXPHT-UHFFFAOYSA-N -1 0 365.444 2.518 20 50 FFGDRM Cc1cc(C)cc(CCC(=O)NNc2oc(C(C)C)nc2-c2nnn[n-]2)c1 ZINC000822196675 945979033 /nfs/dbraw/zinc/97/90/33/945979033.db2.gz SGFXCQHICSJUSS-UHFFFAOYSA-N -1 0 369.429 2.671 20 50 FFGDRM O=C([O-])c1cncc(NC(=O)[C@@]2(c3ccccc3)C[C@H]2Br)c1 ZINC001595270478 949820341 /nfs/dbraw/zinc/82/03/41/949820341.db2.gz DQQIBARWUGSDMY-CZUORRHYSA-N -1 0 361.195 2.824 20 50 FFGDRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)NNc1ccc(Cl)cc1F)O2 ZINC001594748992 953404817 /nfs/dbraw/zinc/40/48/17/953404817.db2.gz NEYROZYKHXZTNU-JRKQCGKRSA-N -1 0 371.796 2.518 20 50 FFGDRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)NNc1cccc(F)c1Cl)O2 ZINC001594750948 953430692 /nfs/dbraw/zinc/43/06/92/953430692.db2.gz WYPHXZPFKJQRJL-IAZHFHGHSA-N -1 0 371.796 2.518 20 50 FFGDRM C[C@@H]1CCc2sc(C(=O)NNC(=O)/C=C\c3ccc(C(=O)[O-])o3)cc2C1 ZINC001589364886 954181339 /nfs/dbraw/zinc/18/13/39/954181339.db2.gz BWIXHHCDRZQLDL-ISGFRBBESA-N -1 0 374.418 2.639 20 50 FFGDRM O=C([O-])C1(C(=O)NNc2c(Cl)cccc2Br)CC=CC1 ZINC001594864564 954310795 /nfs/dbraw/zinc/31/07/95/954310795.db2.gz HNXKPEIJGMUTQV-UHFFFAOYSA-N -1 0 359.607 2.967 20 50 FFGDRM CC(C)Oc1ccc(NC(=S)NNC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000736494075 955217383 /nfs/dbraw/zinc/21/73/83/955217383.db2.gz HUQOWMSHZXFITP-UHFFFAOYSA-N -1 0 373.434 2.803 20 50 FFGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000739804643 955255476 /nfs/dbraw/zinc/25/54/76/955255476.db2.gz HPYHBEGFZUXKBI-YFEUJDIGSA-N -1 0 373.453 2.543 20 50 FFGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCC(C(=O)[O-])CC2)c(C)n1CC(C)C ZINC000740082031 955256588 /nfs/dbraw/zinc/25/65/88/955256588.db2.gz UXLULJBIPLBZGI-ZDLGFXPLSA-N -1 0 357.454 2.991 20 50 FFGDRM O=C([O-])c1cccc(C(=O)NNC(=O)c2c(Cl)cccc2Cl)c1 ZINC000740215576 955258421 /nfs/dbraw/zinc/25/84/21/955258421.db2.gz ZXILFUNVXLMLMP-UHFFFAOYSA-N -1 0 353.161 2.766 20 50 FFGDRM Cc1oc(-c2ccccc2F)nc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001594504717 955350345 /nfs/dbraw/zinc/35/03/45/955350345.db2.gz IDERZQNDLFYCBX-UHFFFAOYSA-N -1 0 356.313 2.639 20 50 FFGDRM Cn1c2ccccc2nc1SCC(=O)NN=Cc1cccc(C(=O)[O-])c1 ZINC000814874640 955363922 /nfs/dbraw/zinc/36/39/22/955363922.db2.gz YIXYYBYULHAEFS-UHFFFAOYSA-N -1 0 368.418 2.514 20 50 FFGDRM Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000846714597 955723065 /nfs/dbraw/zinc/72/30/65/955723065.db2.gz AXSSTPNRLVSVAF-CABCVRRESA-N -1 0 361.829 2.782 20 50 FFGDRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CCCC[C@@H]1CCSS1 ZINC000848458117 955748909 /nfs/dbraw/zinc/74/89/09/955748909.db2.gz OIGITAPQOAWASU-KGLIPLIRSA-N -1 0 354.497 2.908 20 50 FFGDRM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NNc1ncccc1C(=O)[O-] ZINC001589167177 956429011 /nfs/dbraw/zinc/42/90/11/956429011.db2.gz HQDFWZWJZVJBIB-MRVPVSSYSA-N -1 0 370.192 2.997 20 50 FFGDRM O=C([O-])c1ccc(/C=C/C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC001594673285 956634946 /nfs/dbraw/zinc/63/49/46/956634946.db2.gz WSXAFMIEAZIFPM-ZZXKWVIFSA-N -1 0 351.702 2.696 20 50 FFGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-] ZINC001589205358 956662257 /nfs/dbraw/zinc/66/22/57/956662257.db2.gz IPHAEKKCLDLARR-UHFFFAOYSA-N -1 0 355.778 2.828 20 50 FFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CCCOc1ccc2c(c1)CCC2 ZINC001594682730 956701224 /nfs/dbraw/zinc/70/12/24/956701224.db2.gz TWONYEXZDOLGEC-UHFFFAOYSA-N -1 0 355.394 2.571 20 50 FFGDRM Cc1cc(C(=O)NNC(=O)CCCCC(=O)[O-])c(C)n1-c1ccccc1 ZINC001594280979 957741490 /nfs/dbraw/zinc/74/14/90/957741490.db2.gz DHKQABCXSPEYFY-UHFFFAOYSA-N -1 0 357.410 2.500 20 50 FFGDRM CCC(CC)(C(=O)[O-])C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1 ZINC001573785353 960734614 /nfs/dbraw/zinc/73/46/14/960734614.db2.gz QQSACPQJINCLDX-UHFFFAOYSA-N -1 0 367.471 2.682 20 50 FFGDRM COCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001322539845 961007243 /nfs/dbraw/zinc/00/72/43/961007243.db2.gz ANGNGKZVCDFINN-PTNGSMBKSA-N -1 0 354.362 2.704 20 50 FFGDRM N#Cc1ccc(Br)c(NNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC001574486370 961683882 /nfs/dbraw/zinc/68/38/82/961683882.db2.gz VRZGVMLWLNJXCY-HNNXBMFYSA-N -1 0 364.199 2.575 20 50 FFGDRM CC(C)C[C@H](CNC(=O)[C@]1(c2ccccc2)C[C@@H]1Br)C(=O)[O-] ZINC001588847335 961897171 /nfs/dbraw/zinc/89/71/71/961897171.db2.gz MGCNGVDRCYEDRX-IFIJOSMWSA-N -1 0 368.271 2.955 20 50 FFGDRM CN(c1nc(C(=O)NNc2ncccc2C(=O)[O-])cs1)c1ccccc1 ZINC001574023044 961980419 /nfs/dbraw/zinc/98/04/19/961980419.db2.gz VNFLGRNJUHLGRW-UHFFFAOYSA-N -1 0 369.406 2.761 20 50 FFGDRM CC(C)CCOc1ccc(C(=O)NNC(=O)C2(CC(=O)[O-])CCC2)cc1 ZINC001588867674 962028906 /nfs/dbraw/zinc/02/89/06/962028906.db2.gz BUGDJPQNCHBNBX-UHFFFAOYSA-N -1 0 362.426 2.518 20 50 FFGDRM O=C([O-])[C@H](C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C1CCCC1 ZINC001574578231 962085090 /nfs/dbraw/zinc/08/50/90/962085090.db2.gz AJYBZKGRGHCTMW-HNNXBMFYSA-N -1 0 364.467 2.669 20 50 FFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC001605820840 972548643 /nfs/dbraw/zinc/54/86/43/972548643.db2.gz HIXDLTGYSOEZML-LLVKDONJSA-N -1 0 354.288 2.710 20 50 FFGDRM C[C@]1(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)C[C@H]1Br ZINC001603341204 972739581 /nfs/dbraw/zinc/73/95/81/972739581.db2.gz HHINGOZOKGQZON-IUODEOHRSA-N -1 0 355.232 2.999 20 50 FFGDRM CC(C)(C)c1ccc(OCC(=O)NN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736300130 978318515 /nfs/dbraw/zinc/31/85/15/978318515.db2.gz UNWPECNVUFOVQQ-SFHVURJKSA-N -1 0 374.412 2.949 20 50 FFGDRM CCOc1ccccc1OCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000737219541 978390016 /nfs/dbraw/zinc/39/00/16/978390016.db2.gz XYYITJZGYGRAAJ-UHFFFAOYSA-N -1 0 361.306 2.676 20 50 FFGDRM Cc1ccc(NC(=S)NNC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000738628371 978576419 /nfs/dbraw/zinc/57/64/19/978576419.db2.gz PZGFCAFTLUVBKR-UHFFFAOYSA-N -1 0 371.462 2.952 20 50 FFGDRM Cc1ccc(NCC(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)cc1 ZINC000738632794 978577132 /nfs/dbraw/zinc/57/71/32/978577132.db2.gz MJKOYWBLSFYXLA-UHFFFAOYSA-N -1 0 350.378 2.737 20 50 FFGDRM O=C([O-])c1cc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000739215087 978620812 /nfs/dbraw/zinc/62/08/12/978620812.db2.gz HSBUYTJUMVNOCJ-FPYGCLRLSA-N -1 0 358.262 2.820 20 50 FFGDRM O=C([O-])c1ccc2c(c1)CN(C(=O)NNC(=O)CCC1CCCCC1)C2 ZINC000739236343 978622991 /nfs/dbraw/zinc/62/29/91/978622991.db2.gz SRUXNFWOXOXSER-UHFFFAOYSA-N -1 0 359.426 2.802 20 50 FFGDRM O=C([O-])c1cc(OC(=O)Cc2ccc(-n3cccn3)cc2)ccc1[N+](=O)[O-] ZINC000739341750 978630643 /nfs/dbraw/zinc/63/06/43/978630643.db2.gz NWVHNBUKJMFGJS-UHFFFAOYSA-N -1 0 367.317 2.627 20 50 FFGDRM O=C([O-])c1ccc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000739453349 978637067 /nfs/dbraw/zinc/63/70/67/978637067.db2.gz FYALHLLCELDWOZ-UHFFFAOYSA-N -1 0 358.297 2.540 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000740087330 978666894 /nfs/dbraw/zinc/66/68/94/978666894.db2.gz KDAGWLKPZBMHAP-UHFFFAOYSA-N -1 0 368.204 2.699 20 50 FFGDRM O=C([O-])c1cc(OC(=O)[C@H]2C[C@@]23CCOc2ccccc23)ccc1[N+](=O)[O-] ZINC000740088703 978667750 /nfs/dbraw/zinc/66/77/50/978667750.db2.gz VMIZAWNAIJYFFA-AUUYWEPGSA-N -1 0 369.329 2.939 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2cc(F)cc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000740306589 978674448 /nfs/dbraw/zinc/67/44/48/978674448.db2.gz FCMVWMRYCVZCLD-UHFFFAOYSA-N -1 0 350.214 2.560 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2coc(Br)c2)ccc1[N+](=O)[O-] ZINC000740306570 978674532 /nfs/dbraw/zinc/67/45/32/978674532.db2.gz CWUOBXHVBGAULW-UHFFFAOYSA-N -1 0 356.084 2.868 20 50 FFGDRM O=C([O-])COc1ccc(C=NNC(=O)c2ccc(Cl)cc2F)cc1 ZINC000747645290 978686878 /nfs/dbraw/zinc/68/68/78/978686878.db2.gz BMCOPARLWBBNII-UHFFFAOYSA-N -1 0 350.733 2.706 20 50 FFGDRM Cc1ccc(OCC(=O)NN=Cc2cn(CC(=O)[O-])c3ccccc23)cc1 ZINC000799871466 978842429 /nfs/dbraw/zinc/84/24/29/978842429.db2.gz XZHQJTYKIWQSKC-UHFFFAOYSA-N -1 0 365.389 2.563 20 50 FFGDRM CCOc1ccc(O[C@H](C)C(=O)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1 ZINC000814747678 978879658 /nfs/dbraw/zinc/87/96/58/978879658.db2.gz RDIGTEFJVOEQPO-BFHYXJOUSA-N -1 0 362.426 2.846 20 50 FFGDRM Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN=Cc1c[nH]c(C(=O)[O-])c1 ZINC000814750718 978880500 /nfs/dbraw/zinc/88/05/00/978880500.db2.gz WXQUBAZNYQQNBI-LLVKDONJSA-N -1 0 363.801 2.901 20 50 FFGDRM Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NN=Cc1c[nH]c(C(=O)[O-])c1 ZINC000814750719 978880736 /nfs/dbraw/zinc/88/07/36/978880736.db2.gz WXQUBAZNYQQNBI-NSHDSACASA-N -1 0 363.801 2.901 20 50 FFGDRM O=C([O-])c1cc(C=NNC(=O)c2ccc(COc3ccccc3)o2)c[nH]1 ZINC000814762163 978881949 /nfs/dbraw/zinc/88/19/49/978881949.db2.gz QCIFOFFAUXQBJI-UHFFFAOYSA-N -1 0 353.334 2.649 20 50 FFGDRM O=C([O-])CCCNC(=O)NNc1ccc(Br)cc1Cl ZINC000840992598 979290529 /nfs/dbraw/zinc/29/05/29/979290529.db2.gz SGHYHINZPCFBNT-UHFFFAOYSA-N -1 0 350.600 2.593 20 50 FFGDRM C[C@@H](Cc1cnc2ccccc2n1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001592908282 979862695 /nfs/dbraw/zinc/86/26/95/979862695.db2.gz YMWZGLBNVJDBFE-LBPRGKRZSA-N -1 0 350.378 2.650 20 50 FFGDRM CC[C@](O)(C(=O)NNc1ccc(C(=O)[O-])cc1F)c1cccc(Cl)c1 ZINC001595322953 980518033 /nfs/dbraw/zinc/51/80/33/980518033.db2.gz OVTXKRBATRLXTL-QGZVFWFLSA-N -1 0 366.776 2.918 20 50 FFGDRM CC[C@H]1CC[C@H](C(=O)NNc2cc(C(=O)[O-])ccc2Br)O1 ZINC001595414361 981021769 /nfs/dbraw/zinc/02/17/69/981021769.db2.gz DLXXZUBVTSWQJU-JOYOIKCWSA-N -1 0 357.204 2.548 20 50 FFGDRM Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccc(OCC(=O)[O-])cc2)c1C ZINC000916336761 982674228 /nfs/dbraw/zinc/67/42/28/982674228.db2.gz OHQPLBPGXSBMIK-OAHLLOKOSA-N -1 0 370.405 2.684 20 50 FFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)c1C ZINC001596108874 983436676 /nfs/dbraw/zinc/43/66/76/983436676.db2.gz UDJJREGFKJSPPR-BHHCWSLCSA-N -1 0 355.438 2.647 20 50 FFGDRM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccccc1[N+](=O)[O-] ZINC001599893782 984727431 /nfs/dbraw/zinc/72/74/31/984727431.db2.gz FMTLNGFRAVNTRJ-VIFPVBQESA-N -1 0 362.317 2.819 20 50 FFGDRM CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001596723607 984971587 /nfs/dbraw/zinc/97/15/87/984971587.db2.gz MOFWYJNXRDMEPJ-XFXZXTDPSA-N -1 0 354.318 2.700 20 50 FFGDRM CCOC(=O)c1ccc(NNC(=O)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC001596724814 984979592 /nfs/dbraw/zinc/97/95/92/984979592.db2.gz XQLNWFRHYNLEQU-UHFFFAOYSA-N -1 0 356.378 2.556 20 50 FFGDRM Cc1[nH]c(C(=O)NNc2ccc(Br)cc2)c(C)c1C(=O)[O-] ZINC001599953769 985653967 /nfs/dbraw/zinc/65/39/67/985653967.db2.gz KAZKUWLFFQEBDU-UHFFFAOYSA-N -1 0 352.188 2.849 20 50 FFGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1 ZINC001599957281 985711254 /nfs/dbraw/zinc/71/12/54/985711254.db2.gz MPECJRJKVXTFNC-UHFFFAOYSA-N -1 0 366.299 2.977 20 50 FFGDRM CCOc1cc(/C=C\C(=O)NNc2ccc(F)c(C(=O)[O-])c2)ccc1O ZINC001597033913 986466004 /nfs/dbraw/zinc/46/60/04/986466004.db2.gz SCXHKQFEFRQPIS-YWEYNIOJSA-N -1 0 360.341 2.785 20 50 FFGDRM C[C@H]1Sc2ccc(C(=O)NNc3ccccc3C(=O)[O-])cc2NC1=O ZINC001594666224 986964674 /nfs/dbraw/zinc/96/46/74/986964674.db2.gz RUONVICRIUDKKH-SECBINFHSA-N -1 0 357.391 2.574 20 50 FFGDRM CCOc1cccc2c1OCC(C(=O)NNc1ccccc1C(=O)[O-])=C2 ZINC001597165032 986983482 /nfs/dbraw/zinc/98/34/82/986983482.db2.gz OLSTZZQEPCEZKE-UHFFFAOYSA-N -1 0 354.362 2.703 20 50 FFGDRM CC(C)(C(=O)NNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001589575027 987351565 /nfs/dbraw/zinc/35/15/65/987351565.db2.gz UXYUBOGPYXPYIS-UHFFFAOYSA-N -1 0 359.357 2.654 20 50 FFGDRM CCc1cc(Br)ccc1NNC(=O)c1ccc(C(=O)[O-])nc1 ZINC001597424915 987749618 /nfs/dbraw/zinc/74/96/18/987749618.db2.gz ZWJCVLKYZKRFSO-UHFFFAOYSA-N -1 0 364.199 2.862 20 50 FFGDRM CCc1ccc(CC)c(NC(=O)C(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001597520919 988152029 /nfs/dbraw/zinc/15/20/29/988152029.db2.gz CBIKCYDSGXMCIC-UHFFFAOYSA-N -1 0 373.384 2.731 20 50 FFGDRM CSSCCNC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001599804732 988235773 /nfs/dbraw/zinc/23/57/73/988235773.db2.gz STHYFMIRQQJVSF-LBPRGKRZSA-N -1 0 369.512 2.616 20 50 FFGDRM CC(C)(C)OC(=O)[C@@]1(C(=O)NNc2cccc(C(=O)[O-])c2F)CC1(C)C ZINC001589851917 988382652 /nfs/dbraw/zinc/38/26/52/988382652.db2.gz NQRAAEOWMMESCN-SFHVURJKSA-N -1 0 366.389 2.725 20 50 FFGDRM CC(C)(C)c1ccncc1CNC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001590515424 990125873 /nfs/dbraw/zinc/12/58/73/990125873.db2.gz KLFHKLXWRSZMQO-UHFFFAOYSA-N -1 0 356.426 2.833 20 50 FFGDRM CC(C)(CNC(=O)[C@]1(c2ccccc2)C[C@@H]1Br)CC(=O)[O-] ZINC001590706045 990448004 /nfs/dbraw/zinc/44/80/04/990448004.db2.gz FEHOUQGZTRTWJX-LRDDRELGSA-N -1 0 354.244 2.709 20 50 FFGDRM CC(C)[C@H](CNC(=O)NNc1ccc(CC(=O)[O-])cc1)c1cccnc1 ZINC001590983518 991162570 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O=C([O-])c1cc(OC(=O)c2ccc(Br)o2)ccc1[N+](=O)[O-] ZINC000740308037 978675280 /nfs/dbraw/zinc/67/52/80/978675280.db2.gz SPAMHKVQJBTOIC-UHFFFAOYSA-N -1 0 356.084 2.868 20 50 FFGDRM CCc1nc2ccccc2n1CC(=O)NN=C1CC[C@H](CC(=O)[O-])[C@H]1C ZINC000814744195 978879647 /nfs/dbraw/zinc/87/96/47/978879647.db2.gz FYQWJDQIQNYMGR-CHWSQXEVSA-N -1 0 356.426 2.592 20 50 FFGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC000833148862 979095819 /nfs/dbraw/zinc/09/58/19/979095819.db2.gz AAYBKYRSYOJYPI-CHWSQXEVSA-N -1 0 364.467 2.669 20 50 FFGDRM O=C([O-])c1ccc(C=NNC(=O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000916294221 982673200 /nfs/dbraw/zinc/67/32/00/982673200.db2.gz FMOWQXFSEPZRIW-UHFFFAOYSA-N -1 0 366.295 2.933 20 50 FFGDRM CCOc1ccc(O[C@H](C)C(=O)NN=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000916340385 982674169 /nfs/dbraw/zinc/67/41/69/982674169.db2.gz IBKBWIWCIKDHEQ-CYBMUJFWSA-N -1 0 356.378 2.701 20 50 FFGDRM CCCOc1ccc(CNC(=O)NNc2ccc(C(=O)[O-])cc2F)cn1 ZINC001595957125 983148197 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Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNc1ccccc1Br ZINC001599957537 985714253 /nfs/dbraw/zinc/71/42/53/985714253.db2.gz XMWLWDZQLDCNCO-UHFFFAOYSA-N -1 0 352.188 2.849 20 50 FFGDRM Cc1c(Br)cncc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599972982 986039837 /nfs/dbraw/zinc/03/98/37/986039837.db2.gz DMIKLJWLJIBZIU-UHFFFAOYSA-N -1 0 350.172 2.608 20 50 FFGDRM C[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1F)n1ccc2ccccc2c1=O ZINC001589422171 986662460 /nfs/dbraw/zinc/66/24/60/986662460.db2.gz CFWQBCZPVTXSJG-NSHDSACASA-N -1 0 369.352 2.543 20 50 FFGDRM CCc1nc2ccccc2n1CC(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001597695430 988894011 /nfs/dbraw/zinc/89/40/11/988894011.db2.gz FLIPUUPJIVXLKD-UHFFFAOYSA-N -1 0 356.357 2.579 20 50 FFGDRM CCc1oc(/C=C(\C#N)C(=O)NCCc2ccc(OC)cc2)cc1C(=O)[O-] ZINC001597791297 989320856 /nfs/dbraw/zinc/32/08/56/989320856.db2.gz MBNKWFWHHPLIJR-GXDHUFHOSA-N -1 0 368.389 2.815 20 50 FFGDRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)NNc1cccc(Cl)c1 ZINC001590117410 989322139 /nfs/dbraw/zinc/32/21/39/989322139.db2.gz LZPDKOBXADSWNH-GFCCVEGCSA-N -1 0 371.821 2.541 20 50 FFGDRM CCn1c(=O)[nH]c2cc(C(=O)NNc3ccc(C)c(C(=O)[O-])c3)ccc21 ZINC001597833135 989507309 /nfs/dbraw/zinc/50/73/09/989507309.db2.gz ZWFUXFCUKZZOHT-UHFFFAOYSA-N -1 0 354.366 2.525 20 50 FFGDRM CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2ccccc2C(=O)[O-])n1 ZINC001590314034 989741485 /nfs/dbraw/zinc/74/14/85/989741485.db2.gz CNYQGVITHMHOHR-UHFFFAOYSA-N -1 0 372.381 2.884 20 50 FFGDRM CC(C)(C)OC(=O)c1cccnc1NNC(=O)c1ccsc1C(=O)[O-] ZINC001590368227 989844368 /nfs/dbraw/zinc/84/43/68/989844368.db2.gz ARMLHUWAJBLXOS-UHFFFAOYSA-N -1 0 363.395 2.554 20 50 FFGDRM CC(C)(C)c1ccc(CNC(=O)NNc2ccc(CC(=O)[O-])cc2)c(=O)[nH]1 ZINC001590487265 990087092 /nfs/dbraw/zinc/08/70/92/990087092.db2.gz KLVWEZFXZLTFTF-UHFFFAOYSA-N -1 0 372.425 2.538 20 50 FFGDRM CC(C)(Oc1ccc(F)cc1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001590907386 990873559 /nfs/dbraw/zinc/87/35/59/990873559.db2.gz WQINITXPAOPRHN-UHFFFAOYSA-N -1 0 350.321 2.964 20 50 FFGDRM CN(C)N(C(=O)[C@H]1CCCc2ccccc21)c1nc(CC(=O)[O-])cs1 ZINC001598256801 991068243 /nfs/dbraw/zinc/06/82/43/991068243.db2.gz VWOYLDHRDXOYQD-HNNXBMFYSA-N -1 0 359.451 2.700 20 50 FFGDRM COc1ccccc1C/C(C)=C\C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599704617 991273979 /nfs/dbraw/zinc/27/39/79/991273979.db2.gz HXBANZUJGNWANA-OWBHPGMISA-N -1 0 354.406 2.954 20 50 FFGDRM CC(C)CC(=O)N[C@H](C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1 ZINC001591108559 991750425 /nfs/dbraw/zinc/75/04/25/991750425.db2.gz IGWVVWOWRRMENJ-SFHVURJKSA-N -1 0 369.421 2.732 20 50 FFGDRM C[C@H](NC(=O)NNC(=O)C(=O)[O-])c1ccc(-c2ccc(Cl)cc2)s1 ZINC001593102479 993745104 /nfs/dbraw/zinc/74/51/04/993745104.db2.gz UCXKCXJGOJEYNW-QMMMGPOBSA-N -1 0 367.814 2.545 20 50 FFGDRM COc1ccc(OC(C)(C)C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001599600779 993812673 /nfs/dbraw/zinc/81/26/73/993812673.db2.gz QPPFSFJRKIXYKM-UHFFFAOYSA-N -1 0 362.357 2.833 20 50 FFGDRM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NNc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001599604020 993857545 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COC(=O)c1cc(NNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)ccc1F ZINC001598948735 998106388 /nfs/dbraw/zinc/10/63/88/998106388.db2.gz CPBLGUQNDCTWEQ-UHFFFAOYSA-N -1 0 365.292 2.598 20 50 FFGDRM COc1cc([N+](=O)[O-])ccc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599462484 998298952 /nfs/dbraw/zinc/29/89/52/998298952.db2.gz VIFKVGUKKKUXDO-UHFFFAOYSA-N -1 0 365.729 2.712 20 50 FFGDRM COC(=O)c1cc(OC(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001598961177 998332813 /nfs/dbraw/zinc/33/28/13/998332813.db2.gz KMFODUNDNRQSHA-UHFFFAOYSA-N -1 0 359.290 2.607 20 50 FFGDRM COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1Br ZINC001599158484 998416030 /nfs/dbraw/zinc/41/60/30/998416030.db2.gz CQYPGZYCJRFBRA-IWKZGAEBSA-N -1 0 368.183 2.632 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c1C ZINC001599161534 998466125 /nfs/dbraw/zinc/46/61/25/998466125.db2.gz PXIDHZPIPFSPJP-REUADUDTSA-N -1 0 373.453 2.589 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cnc(-c2ccco2)s1 ZINC001599376169 998489680 /nfs/dbraw/zinc/48/96/80/998489680.db2.gz JCVUPIHGHLBWDM-UHFFFAOYSA-N -1 0 359.363 2.867 20 50 FFGDRM COc1cc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)cc(Cl)c1O ZINC001599376635 998497718 /nfs/dbraw/zinc/49/77/18/998497718.db2.gz PVADPKMXEOPQJQ-UHFFFAOYSA-N -1 0 366.757 2.518 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)Cc1csc(C(C)(C)C)n1 ZINC001599376805 998499552 /nfs/dbraw/zinc/49/95/52/998499552.db2.gz CQTPXLXNKBJCEE-UHFFFAOYSA-N -1 0 363.439 2.833 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1c[nH]nc1-c1ccccc1 ZINC001599377321 998508411 /nfs/dbraw/zinc/50/84/11/998508411.db2.gz SJXFFPHBGZIRDB-UHFFFAOYSA-N -1 0 352.350 2.540 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ncoc1-c1ccccc1 ZINC001599377765 998516507 /nfs/dbraw/zinc/51/65/07/998516507.db2.gz NMNXJIBRYPPBHQ-UHFFFAOYSA-N -1 0 353.334 2.805 20 50 FFGDRM COC(=O)c1ccc(NNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(F)c1 ZINC001598983030 998675454 /nfs/dbraw/zinc/67/54/54/998675454.db2.gz WZKDIEVULXWZRM-UHFFFAOYSA-N -1 0 361.329 2.768 20 50 FFGDRM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001594273146 999058868 /nfs/dbraw/zinc/05/88/68/999058868.db2.gz WUPDBHIWEZNHLA-IINYFYTJSA-N -1 0 371.368 2.875 20 50 FFGDRM C[C@@H]1CCCN(c2cc(C(=O)NNc3cccc(C(=O)[O-])c3)ccn2)C1 ZINC001594389931 999478049 /nfs/dbraw/zinc/47/80/49/999478049.db2.gz YXUWGWHOHNXKJS-CYBMUJFWSA-N -1 0 354.410 2.773 20 50 FFGDRM O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000826448965 607464157 /nfs/dbraw/zinc/46/41/57/607464157.db2.gz VISDVZCUDAJILP-UHFFFAOYSA-N -1 0 365.180 2.636 20 50 FFGDRM Cc1ncsc1C(=O)NN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833009872 600747994 /nfs/dbraw/zinc/74/79/94/600747994.db2.gz FIRIPYXAECZZKT-JTQLQIEISA-N -1 0 360.222 2.819 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1C ZINC000831649566 602012699 /nfs/dbraw/zinc/01/26/99/602012699.db2.gz DHAWPCLLKZLCMA-GMNDERRASA-N -1 0 373.453 2.543 20 50 FFGDRM CCc1ccc(C(=O)NNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000827576436 603225491 /nfs/dbraw/zinc/22/54/91/603225491.db2.gz DEMBNSVWMQIILK-CXAGYDPISA-N -1 0 369.421 2.655 20 50 FFGDRM CC(C)c1ccccc1NC(=S)NNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000824475809 604062245 /nfs/dbraw/zinc/06/22/45/604062245.db2.gz BCTAANRULKKSTL-QGZVFWFLSA-N -1 0 364.471 2.518 20 50 FFGDRM Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000826316754 607675994 /nfs/dbraw/zinc/67/59/94/607675994.db2.gz XUCJUEMMHUNAPG-VHSXEESVSA-N -1 0 373.442 2.595 20 50 FFGDRM O=C([O-])Nc1ccc(CCNC(=O)NN=c2nc[nH]c3ccsc32)cc1 ZINC000833288567 604305497 /nfs/dbraw/zinc/30/54/97/604305497.db2.gz ZGFVVZWLNYLZDV-UHFFFAOYSA-N -1 0 372.410 2.650 20 50 FFGDRM CC[C@H](C(=O)NNC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833636417 604742945 /nfs/dbraw/zinc/74/29/45/604742945.db2.gz QRYZUZDJHFMXQJ-INIZCTEOSA-N -1 0 354.406 2.659 20 50 FFGDRM CC(C)C(=O)NNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000833466546 604764163 /nfs/dbraw/zinc/76/41/63/604764163.db2.gz AJKNGLARUBCUDB-UHFFFAOYSA-N -1 0 365.389 2.593 20 50 FFGDRM O=C([O-])N[C@H]1CCC[C@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1 ZINC000832327111 604771436 /nfs/dbraw/zinc/77/14/36/604771436.db2.gz WJXADRJQPNRYRG-ONGXEEELSA-N -1 0 361.320 2.855 20 50 FFGDRM CC(=CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1OC(F)F ZINC000833381575 604799621 /nfs/dbraw/zinc/79/96/21/604799621.db2.gz HNDLRGJZJLUJBK-CSKARUKUSA-N -1 0 363.320 2.928 20 50 FFGDRM COc1ccccc1CC(=O)NN=Cc1cccc2c1N(C(=O)[O-])CCC2 ZINC000829618232 604827605 /nfs/dbraw/zinc/82/76/05/604827605.db2.gz DRBYPGYFOLZLMR-UHFFFAOYSA-N -1 0 367.405 2.819 20 50 FFGDRM Cc1nc(-c2ccccc2)sc1C(=O)NN[C@H](C(=O)[O-])c1cccnc1 ZINC000832992178 604987925 /nfs/dbraw/zinc/98/79/25/604987925.db2.gz ABOKDWWGFCDMMP-AWEZNQCLSA-N -1 0 368.418 2.574 20 50 FFGDRM C[C@@H](CC(=O)NN=c1nc[nH]c2ccsc21)C1CCN(C(=O)[O-])CC1 ZINC000824679591 605125330 /nfs/dbraw/zinc/12/53/30/605125330.db2.gz LJIJZXRIITXXDN-JTQLQIEISA-N -1 0 363.443 2.551 20 50 FFGDRM CN(CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(Cl)cn1 ZINC000833692790 605247699 /nfs/dbraw/zinc/24/76/99/605247699.db2.gz XCLPGLYSGJZAAF-UHFFFAOYSA-N -1 0 369.208 2.666 20 50 FFGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1ccnc2cc(Cl)ccc21 ZINC000834134279 605309313 /nfs/dbraw/zinc/30/93/13/605309313.db2.gz GVRLWILOVLTHOI-NSHDSACASA-N -1 0 358.732 2.623 20 50 FFGDRM CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1OCC(=O)[O-] ZINC000833386432 605326251 /nfs/dbraw/zinc/32/62/51/605326251.db2.gz QDUVWXIWFHLEGS-ZDUSSCGKSA-N -1 0 374.368 2.597 20 50 FFGDRM N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1 ZINC000833969065 605442313 /nfs/dbraw/zinc/44/23/13/605442313.db2.gz PNYRKSDWAWENFD-FYALGJQRSA-N -1 0 356.382 2.827 20 50 FFGDRM CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000833449159 605482229 /nfs/dbraw/zinc/48/22/29/605482229.db2.gz ORGVIOBRRAOYOH-UHFFFAOYSA-N -1 0 369.421 2.693 20 50 FFGDRM O=C([O-])N1CCC[C@H]1CCC(=O)NNC(=S)Nc1cccc(Cl)c1 ZINC000833998601 605541686 /nfs/dbraw/zinc/54/16/86/605541686.db2.gz RPYGVJOIDKHIGP-LBPRGKRZSA-N -1 0 370.862 2.580 20 50 FFGDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000834170097 605738128 /nfs/dbraw/zinc/73/81/28/605738128.db2.gz QXDXANWLAWKHTR-RKDXNWHRSA-N -1 0 356.766 2.518 20 50 FFGDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNc2ccc(OCC(F)(F)F)cc2)C1 ZINC000834171760 605738279 /nfs/dbraw/zinc/73/82/79/605738279.db2.gz WSQNXRFNWOZBPC-GXSJLCMTSA-N -1 0 361.320 2.507 20 50 FFGDRM O=C([O-])NC[C@@H](C(=O)NNc1cccc2cnccc21)c1ccccc1 ZINC000834209042 605738332 /nfs/dbraw/zinc/73/83/32/605738332.db2.gz BPQRYKUURDSFEY-MRXNPFEDSA-N -1 0 350.378 2.729 20 50 FFGDRM O=C([O-])NCCC(=O)NN=C1CCCc2nc(-c3ccccc3)sc21 ZINC000834227915 605748005 /nfs/dbraw/zinc/74/80/05/605748005.db2.gz SBXKDTRXTYMEJM-UHFFFAOYSA-N -1 0 358.423 2.624 20 50 FFGDRM O=C([O-])NCCCC(=O)NN=Cc1c(OC(F)F)ccc2ccccc21 ZINC000834228590 605795867 /nfs/dbraw/zinc/79/58/67/605795867.db2.gz LTKBJTWZTHJHTO-UHFFFAOYSA-N -1 0 365.336 2.939 20 50 FFGDRM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNc1ccc(F)cc1 ZINC000834251578 605825276 /nfs/dbraw/zinc/82/52/76/605825276.db2.gz QNCHHFKIVUVXPP-INIZCTEOSA-N -1 0 356.357 2.629 20 50 FFGDRM O=C([O-])Nc1cccc(CC(=O)NN=c2[n-]c(C(F)(F)F)cs2)c1 ZINC000834266542 605846722 /nfs/dbraw/zinc/84/67/22/605846722.db2.gz FDPOLSLYWGFQLN-UHFFFAOYSA-N -1 0 360.317 2.938 20 50 FFGDRM O=C([O-])Nc1ccc(CC(=O)OCCCI)cc1 ZINC000834257372 605862963 /nfs/dbraw/zinc/86/29/63/605862963.db2.gz YDTSZEAWMWWPGK-UHFFFAOYSA-N -1 0 363.151 2.687 20 50 FFGDRM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNc1ccc(Cl)nc1 ZINC000834251552 605940869 /nfs/dbraw/zinc/94/08/69/605940869.db2.gz PUZXSANTYBNBEZ-AWEZNQCLSA-N -1 0 373.800 2.538 20 50 FFGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)c2ccccc2Br)C1 ZINC000834045594 606045797 /nfs/dbraw/zinc/04/57/97/606045797.db2.gz REURIKIUBRHLAI-JTQLQIEISA-N -1 0 354.204 2.555 20 50 FFGDRM O=C(NNc1ccnc2cc(Cl)ccc21)c1cc(-c2nn[nH]n2)cs1 ZINC000823281535 606583269 /nfs/dbraw/zinc/58/32/69/606583269.db2.gz ULSZULYEYIQXHC-UHFFFAOYSA-N -1 0 371.813 2.887 20 50 FFGDRM N#CC(=Cc1cc(F)c([O-])c(F)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378930 608217246 /nfs/dbraw/zinc/21/72/46/608217246.db2.gz FBPORMACKDONDS-QCDXTXTGSA-N -1 0 353.288 2.640 20 50 FFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cc2ccccc2s1 ZINC000826445603 608580150 /nfs/dbraw/zinc/58/01/50/608580150.db2.gz AWJBCSJDTOFMSU-UHFFFAOYSA-N -1 0 371.813 2.887 20 50 FFGDRM O=C(NN=C1CCc2c1cccc2Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000738128491 945195340 /nfs/dbraw/zinc/19/53/40/945195340.db2.gz DLWWESUYENJRCE-UHFFFAOYSA-N -1 0 352.785 2.600 20 50 FFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)C[C@H](C)c2cccc(F)c2)o1 ZINC000735938554 944716917 /nfs/dbraw/zinc/71/69/17/944716917.db2.gz AOVSVVRZZPKYMW-JTQLQIEISA-N -1 0 373.392 2.754 20 50 FFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)CC=Cc2ccc(F)cc2)o1 ZINC000820203282 945379667 /nfs/dbraw/zinc/37/96/67/945379667.db2.gz QTBNGEGAGDYXOB-ONEGZZNKSA-N -1 0 371.376 2.664 20 50 FFGDRM C[C@@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccc(Br)cc1 ZINC001602792525 971549970 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CCc1cc(NNC(=O)c2cccc(C(=O)[O-])c2)nc(-c2ccccn2)n1 ZINC000737251281 955219711 /nfs/dbraw/zinc/21/97/11/955219711.db2.gz CEFGIEAIDBVWID-UHFFFAOYSA-N -1 0 363.377 2.556 20 50 FFGDRM CC(C)C[C@H](CNC(=O)NNc1ccc(C#N)cc1C(F)(F)F)C(=O)[O-] ZINC000818628543 955419756 /nfs/dbraw/zinc/41/97/56/955419756.db2.gz XHBBHPCSEDFFBU-LLVKDONJSA-N -1 0 372.347 2.950 20 50 FFGDRM CO[C@H](C(=O)[O-])C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F ZINC001593913013 955988689 /nfs/dbraw/zinc/98/86/89/955988689.db2.gz IFFSBPVXCADKGI-KWQFWETISA-N -1 0 357.737 2.944 20 50 FFGDRM CC1(C(=O)[O-])CCN(C(=O)[C@@]2(c3ccccc3)C[C@H]2Br)CC1 ZINC001589188302 956577613 /nfs/dbraw/zinc/57/76/13/956577613.db2.gz IYHCRIXVOUYOBL-CXAGYDPISA-N -1 0 366.255 2.805 20 50 FFGDRM Cc1cc(Br)ccc1NC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001594273315 957686803 /nfs/dbraw/zinc/68/68/03/957686803.db2.gz AOSKWGWWPIVCIV-UHFFFAOYSA-N -1 0 365.187 2.999 20 50 FFGDRM O=C([O-])c1ccc(NC(=O)[C@@]2(c3ccccc3)C[C@H]2Br)nc1 ZINC001574802280 957838073 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20 50 FFGDRM O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833095973 600871011 /nfs/dbraw/zinc/87/10/11/600871011.db2.gz VIRGVESTFBXXHF-GSTHLXFWSA-N -1 0 362.470 2.631 20 50 FFGDRM O=C([O-])Cn1ccc(NC(=O)NN(Cc2ccccc2)c2ccccc2)n1 ZINC000833277728 601066587 /nfs/dbraw/zinc/06/65/87/601066587.db2.gz XPXVARLMUHMJIN-UHFFFAOYSA-N -1 0 365.393 2.711 20 50 FFGDRM N#Cc1cccc([C@H](NNC(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000833074659 601304670 /nfs/dbraw/zinc/30/46/70/601304670.db2.gz CUYSCGFNTRAVAE-AWEZNQCLSA-N -1 0 363.295 2.637 20 50 FFGDRM CCc1[nH]c(C(=O)NNc2ccc(-c3ccccc3)nn2)c(C)c1C(=O)[O-] ZINC000830196111 601588311 /nfs/dbraw/zinc/58/83/11/601588311.db2.gz HAGAOHXXGANYFP-UHFFFAOYSA-N -1 0 365.393 2.798 20 50 FFGDRM Cc1cc(C(=O)NNc2ccc(F)c(F)c2F)cc(C)c1OCC(=O)[O-] ZINC000832864718 601756899 /nfs/dbraw/zinc/75/68/99/601756899.db2.gz SPZLMFJMOLOSSZ-UHFFFAOYSA-N -1 0 368.311 2.941 20 50 FFGDRM N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1nc(-c2ccncc2)cs1 ZINC000833064600 601790772 /nfs/dbraw/zinc/79/07/72/601790772.db2.gz SUYAZGXBTREFSG-LFYBBSHMSA-N -1 0 365.374 2.777 20 50 FFGDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNC(=O)OC(C)(C)C ZINC000829188221 603216824 /nfs/dbraw/zinc/21/68/24/603216824.db2.gz RRJKHJPJLCXTAA-UHFFFAOYSA-N -1 0 359.766 2.608 20 50 FFGDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NN=c1nc(C)cc(C)[nH]1 ZINC000829187129 603280924 /nfs/dbraw/zinc/28/09/24/603280924.db2.gz DFGWLVHOJXFSSG-UHFFFAOYSA-N -1 0 365.777 2.602 20 50 FFGDRM CC(C)c1ccccc1NC(=S)NNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000824476871 603554412 /nfs/dbraw/zinc/55/44/12/603554412.db2.gz ULJWGOKSXQYEQT-RYUDHWBXSA-N -1 0 364.471 2.564 20 50 FFGDRM COc1cc(OC)cc(C(=O)NN=Cc2cccc3c2N(C(=O)[O-])CC3)c1 ZINC000829211237 603820542 /nfs/dbraw/zinc/82/05/42/603820542.db2.gz OTGLKBRNRAWJBA-UHFFFAOYSA-N -1 0 369.377 2.508 20 50 FFGDRM CCOc1ccc(/C=C(\C#N)C(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1 ZINC000827427261 604193577 /nfs/dbraw/zinc/19/35/77/604193577.db2.gz HFKSXXPKBIGDTR-FGNMZNBMSA-N -1 0 371.437 2.887 20 50 FFGDRM CC[C@@H](C(=O)NNC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833636418 604743002 /nfs/dbraw/zinc/74/30/02/604743002.db2.gz QRYZUZDJHFMXQJ-MRXNPFEDSA-N -1 0 354.406 2.659 20 50 FFGDRM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833538385 604800689 /nfs/dbraw/zinc/80/06/89/604800689.db2.gz DHFFPDXAPIXHMF-MRVPVSSYSA-N -1 0 370.192 2.997 20 50 FFGDRM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833540602 604800834 /nfs/dbraw/zinc/80/08/34/604800834.db2.gz MZVQSPVZSSBPSX-MRVPVSSYSA-N -1 0 370.192 2.997 20 50 FFGDRM O=C([O-])c1ccc(=NNC(=O)COc2ccc(Cl)c3cccnc23)[nH]c1 ZINC000833764291 604803726 /nfs/dbraw/zinc/80/37/26/604803726.db2.gz DGNZKQATWYNPMT-UHFFFAOYSA-N -1 0 372.768 2.504 20 50 FFGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1ccc(OCC(F)(F)F)cc1 ZINC000833479509 604939042 /nfs/dbraw/zinc/93/90/42/604939042.db2.gz MXVDLZCBCGBBKF-GFCCVEGCSA-N -1 0 363.336 2.753 20 50 FFGDRM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)n1 ZINC000833826396 605315183 /nfs/dbraw/zinc/31/51/83/605315183.db2.gz GGVBGCAPACCAPJ-YMTOWFKASA-N -1 0 360.336 2.760 20 50 FFGDRM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNc1ccc(-c2ccccc2)nn1 ZINC000833831222 605318057 /nfs/dbraw/zinc/31/80/57/605318057.db2.gz PVKJQTLQIVHJBN-IFXJQAMLSA-N -1 0 369.425 2.803 20 50 FFGDRM C[C@@H](CC(=O)NNc1cc(F)c(F)cc1F)C1CCN(C(=O)[O-])CC1 ZINC000824678859 605344258 /nfs/dbraw/zinc/34/42/58/605344258.db2.gz DTHBRWGTANRWNY-VIFPVBQESA-N -1 0 359.348 2.963 20 50 FFGDRM O=C([O-])N[C@@H](C(=O)NNc1cc(Cl)ccn1)c1cccc(Cl)c1 ZINC000834120569 605477057 /nfs/dbraw/zinc/47/70/57/605477057.db2.gz IJNKKFLRNCRUNY-GFCCVEGCSA-N -1 0 355.181 2.840 20 50 FFGDRM O=C([O-])N1CCC(NC(=O)NN=Cc2c(Cl)oc3ccccc23)CC1 ZINC000834044162 605626707 /nfs/dbraw/zinc/62/67/07/605626707.db2.gz AIMJNOGZSRRWHO-UHFFFAOYSA-N -1 0 364.789 2.862 20 50 FFGDRM O=C([O-])N[C@H](CC(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000834125472 605631914 /nfs/dbraw/zinc/63/19/14/605631914.db2.gz GHQDTEKDJHNVCE-CYBMUJFWSA-N -1 0 353.300 2.946 20 50 FFGDRM CCNC(=O)c1ccc(C)c(NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833657498 605707615 /nfs/dbraw/zinc/70/76/15/605707615.db2.gz QEJCHZPUPKPRIK-UHFFFAOYSA-N -1 0 356.382 2.592 20 50 FFGDRM O=C([O-])N[C@H]1CCC[C@H](C(=O)NNc2ccccc2Br)C1 ZINC000834170552 605717591 /nfs/dbraw/zinc/71/75/91/605717591.db2.gz UKWXEYKFIQGXGY-UWVGGRQHSA-N -1 0 356.220 2.719 20 50 FFGDRM CC(C)(C)C(=O)NCc1ccc(C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC000833422026 605723471 /nfs/dbraw/zinc/72/34/71/605723471.db2.gz RTYFSBDWBVVEBC-UHFFFAOYSA-N -1 0 369.421 2.804 20 50 FFGDRM CN1CCCc2cc(CNC(=O)NNc3cccc(C(=O)[O-])c3)ccc21 ZINC000833698058 605742381 /nfs/dbraw/zinc/74/23/81/605742381.db2.gz XOUHEYHGZAWGDG-UHFFFAOYSA-N -1 0 354.410 2.594 20 50 FFGDRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NNc1ccc(Cl)c(F)c1 ZINC000834149386 605742451 /nfs/dbraw/zinc/74/24/51/605742451.db2.gz FKNFLWWOUKNYPA-CQSZACIVSA-N -1 0 351.765 2.801 20 50 FFGDRM O=C([O-])NCCC(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl ZINC000834226845 605747050 /nfs/dbraw/zinc/74/70/50/605747050.db2.gz DKQLQHDLMUFJGT-UHFFFAOYSA-N -1 0 367.818 2.648 20 50 FFGDRM O=C([O-])Nc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c(O)c1 ZINC000834258467 605765005 /nfs/dbraw/zinc/76/50/05/605765005.db2.gz WYYYNZIINAFGNG-UHFFFAOYSA-N -1 0 366.717 2.801 20 50 FFGDRM CC(C)(C)[C@@H](Br)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833423078 605778990 /nfs/dbraw/zinc/77/89/90/605778990.db2.gz KYBCLKKQHCCUIT-OLZOCXBDSA-N -1 0 354.244 2.834 20 50 FFGDRM Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000830274116 605804081 /nfs/dbraw/zinc/80/40/81/605804081.db2.gz FVFZLBYYQCCEKA-UHFFFAOYSA-N -1 0 371.393 2.542 20 50 FFGDRM Cc1cc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)ccc1NC(=O)[O-] ZINC000829961245 605811131 /nfs/dbraw/zinc/81/11/31/605811131.db2.gz DNFSOARPYYJVMC-UHFFFAOYSA-N -1 0 371.397 2.617 20 50 FFGDRM O=C([O-])Nc1ncccc1C=NNC(=O)c1cccc(OC(F)F)c1 ZINC000834283920 605956250 /nfs/dbraw/zinc/95/62/50/605956250.db2.gz YUFMQBASIBVVFR-UHFFFAOYSA-N -1 0 350.281 2.537 20 50 FFGDRM O=C(CC=Cc1cccc(F)c1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826404604 608628095 /nfs/dbraw/zinc/62/80/95/608628095.db2.gz GIPODAATEITYKS-DUXPYHPUSA-N -1 0 373.779 2.601 20 50 FFGDRM CC(=NNC(=O)c1ccc([O-])c(Cl)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823948212 609159107 /nfs/dbraw/zinc/15/91/07/609159107.db2.gz HPHCWFUCRRYYND-UHFFFAOYSA-N -1 0 374.763 2.519 20 50 FFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)o1 ZINC000735939268 944718902 /nfs/dbraw/zinc/71/89/02/944718902.db2.gz MNPUKAKHGUXANY-VXGBXAGGSA-N -1 0 359.434 2.638 20 50 FFGDRM CCCCC[C@@H](CC)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825267931 947138686 /nfs/dbraw/zinc/13/86/86/947138686.db2.gz NQLRVBZEHDUZBM-SNVBAGLBSA-N -1 0 351.842 2.965 20 50 FFGDRM O=C([O-])[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)c2ccccc21 ZINC001594780039 953620541 /nfs/dbraw/zinc/62/05/41/953620541.db2.gz FWOBLEXZFFVUME-CABCVRRESA-N -1 0 373.796 2.597 20 50 FFGDRM O=C([O-])[C@H](C(=O)NNc1cc(Br)ccc1F)C1CCCC1 ZINC001594835391 954023365 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O=C([O-])c1cccnc1NNC(=O)COc1ccc(Cl)c(Cl)c1 ZINC001594702476 956815569 /nfs/dbraw/zinc/81/55/69/956815569.db2.gz GZZQDVSXPRHKLT-UHFFFAOYSA-N -1 0 356.165 2.609 20 50 FFGDRM CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000008561492 956885808 /nfs/dbraw/zinc/88/58/08/956885808.db2.gz IVATTYHOBVCRNS-UHFFFAOYSA-N -1 0 370.405 2.885 20 50 FFGDRM COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000011291972 956889184 /nfs/dbraw/zinc/88/91/84/956889184.db2.gz MFJAKZUEULLLCA-DGGAMASNSA-N -1 0 354.362 2.703 20 50 FFGDRM Cc1cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])CC2CC2)c(C)n1CC(C)C ZINC001594301174 957911595 /nfs/dbraw/zinc/91/15/95/957911595.db2.gz NMOXLXYUYGBEDE-LSCVHKIXSA-N -1 0 357.454 2.991 20 50 FFGDRM COc1ccc(Br)c(NNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC001594075398 958219175 /nfs/dbraw/zinc/21/91/75/958219175.db2.gz OSOCORZWYDIFHB-HNNXBMFYSA-N -1 0 369.215 2.712 20 50 FFGDRM C#CCN(CC(=O)[O-])C(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C ZINC001573319061 958470341 /nfs/dbraw/zinc/47/03/41/958470341.db2.gz UZNMCMLWXXBTAF-WOJGMQOQSA-N -1 0 355.438 2.604 20 50 FFGDRM COc1ccc(NNC(=O)c2ccc(C(=O)[O-])cn2)c(C(F)(F)F)c1 ZINC001594106468 958471466 /nfs/dbraw/zinc/47/14/66/958471466.db2.gz VRFFCIRPTJAMFN-UHFFFAOYSA-N -1 0 355.272 2.564 20 50 FFGDRM Cc1cccc(OC(F)F)c1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001594408148 958918929 /nfs/dbraw/zinc/91/89/29/958918929.db2.gz BOAJPBQEWOTTHA-UHFFFAOYSA-N -1 0 352.297 2.838 20 50 FFGDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NNc1ccc(Cl)cc1Br ZINC001588541494 958964053 /nfs/dbraw/zinc/96/40/53/958964053.db2.gz CSNURTCRPGMNSD-LBPRGKRZSA-N -1 0 360.595 2.550 20 50 FFGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NNc1cc([N+](=O)[O-])ccc1Br ZINC001588634742 959642560 /nfs/dbraw/zinc/64/25/60/959642560.db2.gz SXXXYIOLVUHNEQ-JTQLQIEISA-N -1 0 374.191 2.547 20 50 FFGDRM Cc1cc(Br)ccc1NNC(=O)NCCC(C)(C)C(=O)[O-] ZINC001574308007 960756025 /nfs/dbraw/zinc/75/60/25/960756025.db2.gz QLEOZIYQFZXVKE-UHFFFAOYSA-N -1 0 358.236 2.885 20 50 FFGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC(C(=O)[O-])C2)c(C)n1-c1ccc(F)cc1 ZINC001574326097 960854254 /nfs/dbraw/zinc/85/42/54/960854254.db2.gz JVXUTKDCTYAYTP-OVCLIPMQSA-N -1 0 367.380 2.683 20 50 FFGDRM Cc1ccc(SCC(=O)NNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001574382655 961121387 /nfs/dbraw/zinc/12/13/87/961121387.db2.gz XKRXGQYNLTVIOH-UHFFFAOYSA-N -1 0 364.467 2.660 20 50 FFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1C ZINC001573866893 961199240 /nfs/dbraw/zinc/19/92/40/961199240.db2.gz MZZJMTIFZVVHMD-JJKBIXFMSA-N -1 0 357.454 2.991 20 50 FFGDRM N#C/C(=C\c1ccc(O)cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001574475002 961643404 /nfs/dbraw/zinc/64/34/04/961643404.db2.gz VLBMEILJQNNBBG-MYSLGKHLSA-N -1 0 362.385 2.626 20 50 FFGDRM O=C([O-])[C@@H]1CC(C(=O)NNc2ccc(Cl)cc2)=NN1c1ccccc1 ZINC001574579123 962096020 /nfs/dbraw/zinc/09/60/20/962096020.db2.gz VVKKSYSKRUPCQM-HNNXBMFYSA-N -1 0 358.785 2.503 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1C ZINC001574119756 962487934 /nfs/dbraw/zinc/48/79/34/962487934.db2.gz UCHRORBVSHOKOY-HRRQBIEZSA-N -1 0 373.453 2.589 20 50 FFGDRM COc1cc(Cl)c(Cl)cc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001574184968 962823208 /nfs/dbraw/zinc/82/32/08/962823208.db2.gz LKLHMLCNZAULLB-UHFFFAOYSA-N -1 0 356.165 2.852 20 50 FFGDRM O=C([O-])[C@@H]1CC(C(=O)NNc2ccccc2Cl)=NN1c1ccccc1 ZINC001605815303 972542030 /nfs/dbraw/zinc/54/20/30/972542030.db2.gz CJWGPYYCHAKSOD-HNNXBMFYSA-N -1 0 358.785 2.503 20 50 FFGDRM O=C([O-])C1(C(=O)NNc2cccc(Br)n2)CCCCCC1 ZINC001605935509 972873799 /nfs/dbraw/zinc/87/37/99/972873799.db2.gz MAYBEIQYBCLIOD-UHFFFAOYSA-N -1 0 356.220 2.712 20 50 FFGDRM Cc1cc(F)c(Br)cc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001605179662 972895866 /nfs/dbraw/zinc/89/58/66/972895866.db2.gz PNEYDMNXMIDLTK-UHFFFAOYSA-N -1 0 368.162 2.747 20 50 FFGDRM N#C/C(=C/c1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C(=O)OC1CCCCC1 ZINC000731664171 978299469 /nfs/dbraw/zinc/29/94/69/978299469.db2.gz ZYPLJGVLCDDCTD-JYRVWZFOSA-N -1 0 374.349 2.841 20 50 FFGDRM CCc1[nH]c(C(=O)NNc2cccc(C(F)(F)F)n2)c(C)c1C(=O)[O-] ZINC000737243652 978390559 /nfs/dbraw/zinc/39/05/59/978390559.db2.gz IFVWMZRPGABOHC-UHFFFAOYSA-N -1 0 356.304 2.754 20 50 FFGDRM CCc1ccccc1OCC(=O)NN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737275577 978393850 /nfs/dbraw/zinc/39/38/50/978393850.db2.gz YNGKKSXAHNYRJD-KRWDZBQOSA-N -1 0 362.813 2.728 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1OC(=O)c1c(C)nn(CCCl)c1C ZINC000737862876 978451608 /nfs/dbraw/zinc/45/16/08/978451608.db2.gz AHBUCXBHOLJACU-UHFFFAOYSA-N -1 0 352.774 2.665 20 50 FFGDRM COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NNC(=O)[O-])c1 ZINC000738080467 978474392 /nfs/dbraw/zinc/47/43/92/978474392.db2.gz YIEIFBUUMVIOPE-UHFFFAOYSA-N -1 0 366.377 2.519 20 50 FFGDRM Cc1c(/C=C(/C#N)C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc(C#N)n1C ZINC000738288880 978511892 /nfs/dbraw/zinc/51/18/92/978511892.db2.gz JSWWLQUUNNGUMN-CHHVJCJISA-N -1 0 363.377 2.518 20 50 FFGDRM Cc1cc(NNC(=O)[C@@H](CC(C)C)NC(=O)[O-])ccc1Br ZINC000738462750 978542140 /nfs/dbraw/zinc/54/21/40/978542140.db2.gz WWMUMSIHRYRWOL-GFCCVEGCSA-N -1 0 358.236 2.883 20 50 FFGDRM Cc1ccc(SCC(=O)NNC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738667621 978585183 /nfs/dbraw/zinc/58/51/83/978585183.db2.gz CJISGQYMDIJJFI-UHFFFAOYSA-N -1 0 359.407 2.638 20 50 FFGDRM O=C([O-])c1ccc(O)c(C=NNC(=O)CCSc2ccc(F)cc2)c1 ZINC000739252900 978624201 /nfs/dbraw/zinc/62/42/01/978624201.db2.gz XTWMZNUMOJDDOA-UHFFFAOYSA-N -1 0 362.382 2.862 20 50 FFGDRM O=C([O-])[C@H](NNC(=O)c1ccc(Br)s1)c1ccc(F)cc1 ZINC000739454430 978639632 /nfs/dbraw/zinc/63/96/32/978639632.db2.gz RLMXBYLWLLEBGN-LLVKDONJSA-N -1 0 373.203 2.710 20 50 FFGDRM O=C([O-])[C@H](NNC(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000739454917 978640769 /nfs/dbraw/zinc/64/07/69/978640769.db2.gz WLQYYKIPQUSIHV-CYBMUJFWSA-N -1 0 356.275 2.905 20 50 FFGDRM O=C([O-])c1ccc(C(=O)NNc2c(F)cc(F)cc2Br)nc1 ZINC000740109588 978669614 /nfs/dbraw/zinc/66/96/14/978669614.db2.gz GDEQDJQUJSYMBD-UHFFFAOYSA-N -1 0 372.125 2.577 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2cccc(Cn3ccnc3)c2)ccc1[N+](=O)[O-] ZINC000740306522 978674420 /nfs/dbraw/zinc/67/44/20/978674420.db2.gz BOCFUEIVVUNAIY-UHFFFAOYSA-N -1 0 367.317 2.757 20 50 FFGDRM O=C([O-])[C@@H]1CCCCCN1S(=O)(=O)c1ccc(CCCCl)cc1 ZINC000776691174 978772150 /nfs/dbraw/zinc/77/21/50/978772150.db2.gz DYGCMFLAMBAUCK-HNNXBMFYSA-N -1 0 359.875 2.876 20 50 FFGDRM C[C@H](Oc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1)C(=O)[O-] ZINC000794689876 978816169 /nfs/dbraw/zinc/81/61/69/978816169.db2.gz ULVMTTJAVWUISW-VUODPORTSA-N -1 0 364.401 2.804 20 50 FFGDRM C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794878876 978824576 /nfs/dbraw/zinc/82/45/76/978824576.db2.gz GGXAWGXNWQDSSJ-OLZOCXBDSA-N -1 0 374.368 2.595 20 50 FFGDRM O=C([O-])c1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)c[nH]1 ZINC000814718931 978876041 /nfs/dbraw/zinc/87/60/41/978876041.db2.gz QBHMMVYHZWBJGS-UHFFFAOYSA-N -1 0 363.373 2.909 20 50 FFGDRM O=C([O-])c1cc(C=NNC(=O)CSc2nc3ccccc3s2)c[nH]1 ZINC000814723199 978876893 /nfs/dbraw/zinc/87/68/93/978876893.db2.gz AVMGTHCTRPYNDT-UHFFFAOYSA-N -1 0 360.420 2.565 20 50 FFGDRM Cc1ccc(-c2cc(C(=O)NN=C3CC[C@H](CC(=O)[O-])[C@@H]3C)[nH]n2)cc1 ZINC000814805107 978886502 /nfs/dbraw/zinc/88/65/02/978886502.db2.gz RMFHDJRTNJCKLB-GXTWGEPZSA-N -1 0 354.410 2.992 20 50 FFGDRM CCc1cccc(C)c1NNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000817880638 978905238 /nfs/dbraw/zinc/90/52/38/978905238.db2.gz BBAFOHXWERETHT-UHFFFAOYSA-N -1 0 369.421 2.656 20 50 FFGDRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)[C@@H](Br)C(C)(C)C ZINC001595041848 979229659 /nfs/dbraw/zinc/22/96/59/979229659.db2.gz YFLSVZIKXXXYKP-SNVBAGLBSA-N -1 0 351.237 2.799 20 50 FFGDRM CC[C@@](CNC(=O)/C(C#N)=C\c1ccc(O)cc1)(C(=O)[O-])c1ccccc1 ZINC001595135374 979575004 /nfs/dbraw/zinc/57/50/04/979575004.db2.gz QLDURTBYINCQJF-JQFUVSSDSA-N -1 0 364.401 2.848 20 50 FFGDRM CC[C@](CNC(=O)NNc1cccc(Cl)n1)(C(=O)[O-])c1ccccc1 ZINC001595149795 979636802 /nfs/dbraw/zinc/63/68/02/979636802.db2.gz JXCGCZNJDSGOJL-QGZVFWFLSA-N -1 0 362.817 2.794 20 50 FFGDRM O=C([O-])Cc1ccc(CNC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)cc1 ZINC000864159918 979774918 /nfs/dbraw/zinc/77/49/18/979774918.db2.gz CPZLRUCZBHDCEF-GRDNDAEWSA-N -1 0 366.255 2.884 20 50 FFGDRM C[C@@](Cn1cccn1)(NC(=O)CCCC[C@@H]1CCSS1)C(=O)[O-] ZINC001592917559 979895258 /nfs/dbraw/zinc/89/52/58/979895258.db2.gz QVYGFASBWVNABF-DOMZBBRYSA-N -1 0 357.501 2.557 20 50 FFGDRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@]34CC[C@@H](C[C@@H]3Br)C4)[C@@H]2C1 ZINC000907939934 981242102 /nfs/dbraw/zinc/24/21/02/981242102.db2.gz HVWIOELNLVUBDD-GLXCXRBRSA-N -1 0 356.260 2.556 20 50 FFGDRM CC(C)(C)[C@@H](Br)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000909759326 981590834 /nfs/dbraw/zinc/59/08/34/981590834.db2.gz QLDQWLUJCNDNEA-CPCISQLKSA-N -1 0 360.170 2.662 20 50 FFGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(C(=O)[O-])CCOCC2)c1C ZINC001595803410 982624533 /nfs/dbraw/zinc/62/45/33/982624533.db2.gz RSHKXORKNGKFIY-ATVHPVEESA-N -1 0 373.453 2.562 20 50 FFGDRM CCCc1c(C(=O)NNc2oc(C(C)C)nc2C#N)[nH]c(C)c1C(=O)[O-] ZINC001596045848 983336837 /nfs/dbraw/zinc/33/68/37/983336837.db2.gz SMFPARKRMJXKAP-UHFFFAOYSA-N -1 0 359.386 2.714 20 50 FFGDRM CCOC(=O)NNC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001596663471 984720612 /nfs/dbraw/zinc/72/06/12/984720612.db2.gz SXMHTFOETZWNJK-UHFFFAOYSA-N -1 0 361.807 2.689 20 50 FFGDRM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001599894141 984731208 /nfs/dbraw/zinc/73/12/08/984731208.db2.gz NIRVWEGVQQHJBW-VIFPVBQESA-N -1 0 362.317 2.819 20 50 FFGDRM CCOc1ccc(/C=C(\C#N)C(=O)NCCc2ncc(C(=O)[O-])s2)cc1 ZINC001597081430 986624933 /nfs/dbraw/zinc/62/49/33/986624933.db2.gz KGICDRHIWBVIEN-UKTHLTGXSA-N -1 0 371.418 2.506 20 50 FFGDRM CCOc1ccc(OC)cc1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001597130140 986843536 /nfs/dbraw/zinc/84/35/36/986843536.db2.gz KGHLQSZCMYXKIZ-UHFFFAOYSA-N -1 0 359.382 2.870 20 50 FFGDRM CCOc1ccc(O[C@H](C)C(=O)NN=Cc2cc(C(=O)[O-])oc2C)cc1 ZINC001597130809 986851808 /nfs/dbraw/zinc/85/18/08/986851808.db2.gz WFIGLWDXTPKCFW-GFCCVEGCSA-N -1 0 360.366 2.603 20 50 FFGDRM CC(C)(C)OC(=O)[C@H](C(=O)NNc1ccccc1C(=O)[O-])C1CCCC1 ZINC001589842634 988332845 /nfs/dbraw/zinc/33/28/45/988332845.db2.gz AHQADKZUNNOIBO-HNNXBMFYSA-N -1 0 362.426 2.976 20 50 FFGDRM CCc1cccc(C)c1NNC(=O)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001597580713 988382315 /nfs/dbraw/zinc/38/23/15/988382315.db2.gz BSWAMEYUQKCMJN-CYBMUJFWSA-N -1 0 369.421 2.827 20 50 FFGDRM CCn1ncnc1-c1ccc(C(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001597969284 990016591 /nfs/dbraw/zinc/01/65/91/990016591.db2.gz HCFHKRQKLVREFU-UHFFFAOYSA-N -1 0 369.356 2.559 20 50 FFGDRM CN(C)N(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1nc(CC(=O)[O-])cs1 ZINC001598255564 991059730 /nfs/dbraw/zinc/05/97/30/991059730.db2.gz GPEVKUYVTZKMBM-KBPBESRZSA-N -1 0 363.414 2.523 20 50 FFGDRM COc1cccc2c1CC[C@H]2NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599690993 991068719 /nfs/dbraw/zinc/06/87/19/991068719.db2.gz WZVOBCFBDWLSSY-OAHLLOKOSA-N -1 0 359.357 2.846 20 50 FFGDRM CN(C)c1cc(C(=O)NNc2ccccc2C(=O)[O-])nc2ccccc21 ZINC001598293000 991207254 /nfs/dbraw/zinc/20/72/54/991207254.db2.gz QLPIXQUHJRJOQM-UHFFFAOYSA-N -1 0 350.378 2.756 20 50 FFGDRM COc1ccccc1SCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001599718396 991496120 /nfs/dbraw/zinc/49/61/20/991496120.db2.gz XLOJXKWXRLLJII-UHFFFAOYSA-N -1 0 363.347 2.999 20 50 FFGDRM COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)[O-])n2C)cc1Cl ZINC001599590198 993670526 /nfs/dbraw/zinc/67/05/26/993670526.db2.gz JYPWTNMDPDYUEI-JXMROGBWSA-N -1 0 359.769 2.931 20 50 FFGDRM COc1cccc(-c2cc(C(=O)NNc3cccc(F)c3C(=O)[O-])[nH]n2)c1 ZINC001599638839 994328777 /nfs/dbraw/zinc/32/87/77/994328777.db2.gz HLKRFDIVTWIJFB-UHFFFAOYSA-N -1 0 370.340 2.680 20 50 FFGDRM COc1cccc(C=C(C#N)C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001599663825 994696677 /nfs/dbraw/zinc/69/66/77/994696677.db2.gz FRIZUPWKKXGHTC-PXNMLYILSA-N -1 0 365.341 2.726 20 50 FFGDRM C[C@@H](Sc1ccccc1C(=O)NNC(=O)CCc1ccccc1)C(=O)[O-] ZINC001593672241 996074727 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COC(=O)c1cc(NNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)ccc1F ZINC001598949094 998113855 /nfs/dbraw/zinc/11/38/55/998113855.db2.gz SLHVQVJRQRDNRY-UHFFFAOYSA-N -1 0 361.329 2.768 20 50 FFGDRM COc1cc(SC#N)ccc1OS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001599461097 998275228 /nfs/dbraw/zinc/27/52/28/998275228.db2.gz KBSCMERGUMMOMC-UHFFFAOYSA-N -1 0 371.436 2.622 20 50 FFGDRM COc1ccc(-c2cc(C(=O)NNc3ccccc3C(=O)[O-])[nH]n2)cc1 ZINC001599467604 998391028 /nfs/dbraw/zinc/39/10/28/998391028.db2.gz JJEGFZOCCXZXKT-UHFFFAOYSA-N -1 0 352.350 2.540 20 50 FFGDRM COc1ccc(-c2ocnc2C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001599472688 998475654 /nfs/dbraw/zinc/47/56/54/998475654.db2.gz ZJUGWBATRWEJTO-UHFFFAOYSA-N -1 0 353.334 2.805 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001599375735 998482792 /nfs/dbraw/zinc/48/27/92/998482792.db2.gz CQFITGFWERDOHQ-JTQLQIEISA-N -1 0 359.338 2.548 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)C1(c2ccccc2)CCOCC1 ZINC001599376682 998497270 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FFGDRM O=C([O-])c1cccnc1NNC(=O)Cc1csc(Cc2ccccc2)n1 ZINC001605723491 974155270 /nfs/dbraw/zinc/15/52/70/974155270.db2.gz CWPPSRWXAYIIPI-UHFFFAOYSA-N -1 0 368.418 2.513 20 50 FFGDRM CC(C)Oc1cc(C(=O)NNc2ccc(CC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001591751674 975807389 /nfs/dbraw/zinc/80/73/89/975807389.db2.gz YWTDIRXPXXNHBH-UHFFFAOYSA-N -1 0 373.365 2.766 20 50 FFGDRM CC(C)Oc1ncccc1CNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001591814310 976050339 /nfs/dbraw/zinc/05/03/39/976050339.db2.gz AMSAWOJJYHPAQQ-UHFFFAOYSA-N -1 0 362.361 2.532 20 50 FFGDRM C[C@](CC(=O)[O-])(NS(=O)(=O)c1ccc(CCCCl)cc1)C1CC1 ZINC001592333340 977771592 /nfs/dbraw/zinc/77/15/92/977771592.db2.gz ADCZRRZXFDHDQZ-MRXNPFEDSA-N -1 0 359.875 2.780 20 50 FFGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNC(=S)Nc1ccccc1C(C)C ZINC000736417509 978332765 /nfs/dbraw/zinc/33/27/65/978332765.db2.gz UOLNAGYCNRSLBG-CQSZACIVSA-N -1 0 366.487 2.810 20 50 FFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccn(CC(=O)[O-])n2)c1C ZINC000737004240 978372952 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FFGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)COc1ccc2ccccc2c1 ZINC000833407329 605039057 /nfs/dbraw/zinc/03/90/57/605039057.db2.gz NFBZDWMITNAQON-CQSZACIVSA-N -1 0 365.389 2.816 20 50 FFGDRM CC(C)CC(=O)N[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)C(C)C ZINC000833474040 605245506 /nfs/dbraw/zinc/24/55/06/605245506.db2.gz SXGBNXHWPBLSLJ-OAHLLOKOSA-N -1 0 369.849 2.668 20 50 FFGDRM C=C1c2ccccc2C(=O)N1CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833372167 605246463 /nfs/dbraw/zinc/24/64/63/605246463.db2.gz NOHXZOBHPUIWCR-UHFFFAOYSA-N -1 0 371.780 2.608 20 50 FFGDRM CC(=NNC(=O)COc1cc(C)ccc1C)c1ccccc1OCC(=O)[O-] ZINC000833385003 605323361 /nfs/dbraw/zinc/32/33/61/605323361.db2.gz QUAJBMBUEYFMJF-UHFFFAOYSA-N -1 0 370.405 2.686 20 50 FFGDRM C[C@@H](CC(=O)NNc1ncccc1C(F)(F)F)C1CCN(C(=O)[O-])CC1 ZINC000824680712 605354385 /nfs/dbraw/zinc/35/43/85/605354385.db2.gz ZCBCVBQBLRZLNR-JTQLQIEISA-N -1 0 374.363 2.960 20 50 FFGDRM N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1 ZINC000833969064 605442446 /nfs/dbraw/zinc/44/24/46/605442446.db2.gz PNYRKSDWAWENFD-FLJWTSDZSA-N -1 0 356.382 2.827 20 50 FFGDRM CC(C)(C)c1ccccc1NC(=O)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833450043 605485472 /nfs/dbraw/zinc/48/54/72/605485472.db2.gz XJBGAECKUAECFK-UHFFFAOYSA-N -1 0 355.394 2.764 20 50 FFGDRM Cc1c(C=C(C#N)C(=O)OCc2cccc(NC(=O)[O-])c2)cc(C#N)n1C ZINC000829860011 605542542 /nfs/dbraw/zinc/54/25/42/605542542.db2.gz TVVPOLVGVSTNJW-CHHVJCJISA-N -1 0 364.361 2.945 20 50 FFGDRM C[C@@H]1CCc2c(sc(NC(=O)CN3CC=C(C#N)CC3)c2C(=O)[O-])C1 ZINC000833618164 605546363 /nfs/dbraw/zinc/54/63/63/605546363.db2.gz ZNNVGHBHMGCEBT-LLVKDONJSA-N -1 0 359.451 2.665 20 50 FFGDRM O=C([O-])N1CCC[C@H](OCC(=O)NNc2ccc(Cl)cc2Cl)C1 ZINC000834009079 605715512 /nfs/dbraw/zinc/71/55/12/605715512.db2.gz BNLJZCUNVLTFJB-JTQLQIEISA-N -1 0 362.213 2.596 20 50 FFGDRM O=C([O-])N1CCC(CC(=O)NNc2cccc(Br)c2)CC1 ZINC000833988325 605715584 /nfs/dbraw/zinc/71/55/84/605715584.db2.gz RKKSZQPNPVYLGL-UHFFFAOYSA-N -1 0 356.220 2.672 20 50 FFGDRM CC(=O)CCc1ccc(O[C@H](C)C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC000833387967 605721299 /nfs/dbraw/zinc/72/12/99/605721299.db2.gz FOYMELRVVVVAQB-CQSZACIVSA-N -1 0 370.405 2.817 20 50 FFGDRM O=C([O-])N[C@H](CC(=O)NNc1cccc2cnccc21)Cc1ccccc1 ZINC000834127148 605737432 /nfs/dbraw/zinc/73/74/32/605737432.db2.gz NRGVAYQIQUBICR-INIZCTEOSA-N -1 0 364.405 2.947 20 50 FFGDRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NNc1ccc(OCC(F)(F)F)cc1 ZINC000834174224 605738092 /nfs/dbraw/zinc/73/80/92/605738092.db2.gz VGCKQRIKBPWTCO-NEPJUHHUSA-N -1 0 361.320 2.507 20 50 FFGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNc2ccc(OCC(F)(F)F)cc2)C1 ZINC000834171762 605738198 /nfs/dbraw/zinc/73/81/98/605738198.db2.gz WSQNXRFNWOZBPC-MWLCHTKSSA-N -1 0 361.320 2.507 20 50 FFGDRM O=C([O-])NCCC(=O)NN=Cc1cc(Cl)ccc1OC1CCCC1 ZINC000834227912 605747700 /nfs/dbraw/zinc/74/77/00/605747700.db2.gz RXJFIPZUFUFNAO-UHFFFAOYSA-N -1 0 353.806 2.769 20 50 FFGDRM O=C([O-])NCCC(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000834227664 605752321 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O=C([O-])N[C@H]1CCCCCC1=NNC(=O)c1cnn(-c2ccccc2)c1 ZINC000834180190 606080186 /nfs/dbraw/zinc/08/01/86/606080186.db2.gz AUKZJDGGCQZJHE-HNNXBMFYSA-N -1 0 355.398 2.558 20 50 FFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)Nc1ccccc1Cl ZINC000826445945 608543025 /nfs/dbraw/zinc/54/30/25/608543025.db2.gz RZBNUDVKHZVGFO-UHFFFAOYSA-N -1 0 365.184 2.717 20 50 FFGDRM Cc1ccccc1[C@@H](C)CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826306243 608579950 /nfs/dbraw/zinc/57/99/50/608579950.db2.gz UFYBNMBTERQJGH-NSHDSACASA-N -1 0 371.832 2.860 20 50 FFGDRM C[C@@H]1C[C@@H](C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)CC(C)(C)C1 ZINC000824864957 609165925 /nfs/dbraw/zinc/16/59/25/609165925.db2.gz GIYYZFOYWRLDCL-MWLCHTKSSA-N -1 0 363.853 2.821 20 50 FFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)C[C@H]2CCc3ccccc32)o1 ZINC000735938557 944716876 /nfs/dbraw/zinc/71/68/76/944716876.db2.gz APBVYGZRALCNQH-GFCCVEGCSA-N -1 0 367.413 2.541 20 50 FFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)C[C@@H](C)c2cccc(F)c2)o1 ZINC000735938555 944717364 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CO[C@@](C)(C(=O)[O-])C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001593926509 956133986 /nfs/dbraw/zinc/13/39/86/956133986.db2.gz JEFZNCIDSZVSNF-LLVKDONJSA-N -1 0 374.237 2.657 20 50 FFGDRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001589166951 956427267 /nfs/dbraw/zinc/42/72/67/956427267.db2.gz ASTNYQAHQJVWCP-LBPRGKRZSA-N -1 0 357.410 2.988 20 50 FFGDRM O=C([O-])c1ccc(C(=O)NNc2ccc(Cl)c(Br)c2)nc1 ZINC001574795877 957819003 /nfs/dbraw/zinc/81/90/03/957819003.db2.gz INSDWTAEDAPISC-UHFFFAOYSA-N -1 0 370.590 2.953 20 50 FFGDRM O=C([O-])c1ccc(NC(=O)[C@]2(c3ccccc3)C[C@@H]2Br)nc1 ZINC001574802279 957838425 /nfs/dbraw/zinc/83/84/25/957838425.db2.gz AFSYUIDKWXWBCV-LRDDRELGSA-N -1 0 361.195 2.824 20 50 FFGDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NNc2cc(Cl)ccc2F)n1 ZINC001573383741 958680330 /nfs/dbraw/zinc/68/03/30/958680330.db2.gz VFPRAUNTEDEJLE-UHFFFAOYSA-N -1 0 355.757 2.644 20 50 FFGDRM CCC(CC)(C(=O)[O-])C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC001573785403 960733765 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O=C(NNc1ccc(OCc2ccccc2)cc1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605815765 972546550 /nfs/dbraw/zinc/54/65/50/972546550.db2.gz UVNUTVSGIZBCGG-FZNQNYSPSA-N -1 0 355.394 2.755 20 50 FFGDRM CC(C)n1ncc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)c1-c1ccccc1 ZINC001592153330 977025159 /nfs/dbraw/zinc/02/51/59/977025159.db2.gz HXQKANVABXSMMD-UHFFFAOYSA-N -1 0 365.393 2.981 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c1C ZINC000737747453 978441318 /nfs/dbraw/zinc/44/13/18/978441318.db2.gz NLCQMPSOCZERGS-WFSQQTBHSA-N -1 0 361.442 2.541 20 50 FFGDRM CCOC(=O)C(C#N)=CN[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000737863492 978451531 /nfs/dbraw/zinc/45/15/31/978451531.db2.gz LCYZGSUPMODZKR-YGNAEDSMSA-N -1 0 367.199 2.525 20 50 FFGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)C(=O)[O-])c(C)n1-c1ccccc1F ZINC000738229769 978503539 /nfs/dbraw/zinc/50/35/39/978503539.db2.gz IGDCLVGZXLJHNB-KMHUVPDISA-N -1 0 355.369 2.730 20 50 FFGDRM Cc1c(C=C(C#N)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc(C#N)n1C ZINC000738288115 978511940 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2.558 20 50 FFGDRM Cc1cc(Br)cnc1NNC(=O)Cc1ccccc1C(=O)[O-] ZINC001594273407 957688708 /nfs/dbraw/zinc/68/87/08/957688708.db2.gz IDWVJSDCQDBEJZ-UHFFFAOYSA-N -1 0 364.199 2.537 20 50 FFGDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NNc2cc(F)cc(Cl)c2)n1 ZINC001588627012 959585049 /nfs/dbraw/zinc/58/50/49/959585049.db2.gz VVARGDDFOFGCIX-UHFFFAOYSA-N -1 0 355.757 2.644 20 50 FFGDRM CCC(CC)(C(=O)[O-])C(=O)NNC(=O)c1cc2c(s1)CCCCC2 ZINC001573784928 960732375 /nfs/dbraw/zinc/73/23/75/960732375.db2.gz NWDLTIITIFKARX-UHFFFAOYSA-N -1 0 352.456 2.669 20 50 FFGDRM O=C([O-])[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C1CCCC1 ZINC001574578232 962084954 /nfs/dbraw/zinc/08/49/54/962084954.db2.gz AJYBZKGRGHCTMW-OAHLLOKOSA-N -1 0 364.467 2.669 20 50 FFGDRM O=C([O-])/C=C\c1cc(C(=O)NNC(=O)c2cccc3ccccc32)co1 ZINC001574667979 962529490 /nfs/dbraw/zinc/52/94/90/962529490.db2.gz SQANTZPMCJWRPL-HJWRWDBZSA-N -1 0 350.330 2.605 20 50 FFGDRM C[C@]1(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C[C@@H]1Br ZINC001357174397 962755577 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CCCc1c(C(=O)NNc2cnnc3ccccc32)[nH]c(C)c1C(=O)[O-] ZINC000737043869 978375308 /nfs/dbraw/zinc/37/53/08/978375308.db2.gz OWWOKFVQNARSCV-UHFFFAOYSA-N -1 0 353.382 2.674 20 50 FFGDRM CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737195730 978387222 /nfs/dbraw/zinc/38/72/22/978387222.db2.gz XRCFRIVEYTYIRN-LYPXWFNGSA-N -1 0 364.401 2.977 20 50 FFGDRM CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737195734 978387679 /nfs/dbraw/zinc/38/76/79/978387679.db2.gz XRCFRIVEYTYIRN-XYSGSMRZSA-N -1 0 364.401 2.977 20 50 FFGDRM COC(=O)c1cc(NC(=O)NNc2c(F)cccc2F)cc(C(=O)[O-])c1 ZINC000737662164 978427679 /nfs/dbraw/zinc/42/76/79/978427679.db2.gz LRHAHOJUYBQUIL-UHFFFAOYSA-N -1 0 365.292 2.598 20 50 FFGDRM O=C([O-])c1cc(C(=O)NN=c2[nH]ccc3sccc32)cc([N+](=O)[O-])c1 ZINC000738672856 978586192 /nfs/dbraw/zinc/58/61/92/978586192.db2.gz LIGRBJDRRYRLRT-UHFFFAOYSA-N -1 0 358.335 2.660 20 50 FFGDRM O=C([O-])c1ccc(O)c(C=NNC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000739453278 978637062 /nfs/dbraw/zinc/63/70/62/978637062.db2.gz FBBTUPAOWSDIBL-UHFFFAOYSA-N -1 0 365.292 2.847 20 50 FFGDRM O=C([O-])NNC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000740001773 978662183 /nfs/dbraw/zinc/66/21/83/978662183.db2.gz PZIUEEPQQKDJHZ-INIZCTEOSA-N -1 0 368.393 2.968 20 50 FFGDRM O=C([O-])Nc1cccc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000740032541 978663711 /nfs/dbraw/zinc/66/37/11/978663711.db2.gz BGWNWXKCSAYELT-UHFFFAOYSA-N -1 0 367.283 2.870 20 50 FFGDRM COc1ccc(CCC(=O)NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000794901984 978826670 /nfs/dbraw/zinc/82/66/70/978826670.db2.gz QNFLSYAJCLBUFE-CQSZACIVSA-N -1 0 370.405 2.630 20 50 FFGDRM Cc1cc(C)c2c(N)c(C(=O)NN=Cc3cccc(C(=O)[O-])c3)sc2n1 ZINC000814777083 978884039 /nfs/dbraw/zinc/88/40/39/978884039.db2.gz NXGWOMAVYZDIBF-UHFFFAOYSA-N -1 0 368.418 2.957 20 50 FFGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC000833148865 979095924 /nfs/dbraw/zinc/09/59/24/979095924.db2.gz AAYBKYRSYOJYPI-STQMWFEESA-N -1 0 364.467 2.669 20 50 FFGDRM CC[C@@H](C)Oc1cc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)ccn1 ZINC000833641236 979212988 /nfs/dbraw/zinc/21/29/88/979212988.db2.gz RIPUAGPCUHBHJH-LLVKDONJSA-N -1 0 359.382 2.723 20 50 FFGDRM CC[C@@](NC(=O)/C(C#N)=C\c1ccc(O)cc1)(C(=O)[O-])c1ccccc1 ZINC001595228965 980089192 /nfs/dbraw/zinc/08/91/92/980089192.db2.gz DUTASTZQOPPHTG-LFDGNKEFSA-N -1 0 350.374 2.805 20 50 FFGDRM CCC1(CC)[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2F)[C@H](C)[C@H]1OC ZINC001595374222 980881496 /nfs/dbraw/zinc/88/14/96/980881496.db2.gz WTXFHDMFWJPHKQ-COLVAYQJSA-N -1 0 367.421 2.990 20 50 FFGDRM CCCC(=O)N1CCC[C@@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001595523146 981346140 /nfs/dbraw/zinc/34/61/40/981346140.db2.gz ADIPCCLFTJPDJW-LLVKDONJSA-N -1 0 367.833 2.520 20 50 FFGDRM CC[C@@H](C(=O)[O-])C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001594755111 981664179 /nfs/dbraw/zinc/66/41/79/981664179.db2.gz BADNXIINTYEPEZ-VXGBXAGGSA-N -1 0 366.483 2.771 20 50 FFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1 ZINC000911618034 982555558 /nfs/dbraw/zinc/55/55/58/982555558.db2.gz JKLGETUXIWCIHG-IUODEOHRSA-N -1 0 357.248 2.697 20 50 FFGDRM CCCCn1cc(CNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c(C)n1 ZINC001595805621 982632407 /nfs/dbraw/zinc/63/24/07/982632407.db2.gz ZPYYYSJMACWAPE-UHFFFAOYSA-N -1 0 363.393 2.655 20 50 FFGDRM CCCNC(=O)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001595937665 983084310 /nfs/dbraw/zinc/08/43/10/983084310.db2.gz LQZQIKKVVIMKIA-UHFFFAOYSA-N -1 0 374.372 2.812 20 50 FFGDRM CCCS(=O)(=O)/C(C#N)=C\c1ccc(C(=O)[O-])c(Br)c1 ZINC001595975394 983210723 /nfs/dbraw/zinc/21/07/23/983210723.db2.gz XRCZOCXJUBKMJK-POHAHGRESA-N -1 0 358.213 2.837 20 50 FFGDRM CCN(Cc1ccccc1NC(=O)NNc1cccc(C(=O)[O-])c1)C(C)=O ZINC001596373523 983877342 /nfs/dbraw/zinc/87/73/42/983877342.db2.gz HUKOFPIIYHLGSC-UHFFFAOYSA-N -1 0 370.409 2.902 20 50 FFGDRM CCNC(=O)c1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2C)c1 ZINC001596489757 984228175 /nfs/dbraw/zinc/22/81/75/984228175.db2.gz MFNGKRUXLFJLJQ-UHFFFAOYSA-N -1 0 356.382 2.592 20 50 FFGDRM CCOC(=O)C(C#N)=CNc1cc(OC)c(Br)cc1C(=O)[O-] ZINC001596509727 984273468 /nfs/dbraw/zinc/27/34/68/984273468.db2.gz WPTFWOJTRAKGJL-BQYQJAHWSA-N -1 0 369.171 2.538 20 50 FFGDRM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001599894171 984732190 /nfs/dbraw/zinc/73/21/90/984732190.db2.gz PTQOFIAYVNCREC-VIFPVBQESA-N -1 0 362.317 2.819 20 50 FFGDRM CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cc(C(=O)[O-])n(C)c2)c1C ZINC001596695037 984826018 /nfs/dbraw/zinc/82/60/18/984826018.db2.gz SNUCEYGYLCVBEK-AWNIVKPZSA-N -1 0 369.377 2.635 20 50 FFGDRM CC(=O)N[C@@H](CC(=O)NNc1cccc(C(=O)[O-])c1C)c1ccc(C)cc1 ZINC001589111246 985349787 /nfs/dbraw/zinc/34/97/87/985349787.db2.gz PHWDCUHETIOQNZ-SFHVURJKSA-N -1 0 369.421 2.712 20 50 FFGDRM CCOc1ccc(O[C@H](C)C(=O)NN=Cc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001597130841 986851831 /nfs/dbraw/zinc/85/18/31/986851831.db2.gz XMNRQEFZAGJSLE-GFCCVEGCSA-N -1 0 374.368 2.840 20 50 FFGDRM CCC(=O)N1CCc2ccc(NC(=O)NNc3cccc(C(=O)[O-])c3)cc21 ZINC001594705192 987146465 /nfs/dbraw/zinc/14/64/65/987146465.db2.gz AERGVFADMLIXAN-UHFFFAOYSA-N -1 0 368.393 2.833 20 50 FFGDRM CC(C)(C(=O)NNC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC001589574765 987349747 /nfs/dbraw/zinc/34/97/47/987349747.db2.gz KKCYQYUZTNAQMC-UHFFFAOYSA-N -1 0 359.357 2.654 20 50 FFGDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)n1 ZINC001589677711 987697634 /nfs/dbraw/zinc/69/76/34/987697634.db2.gz MTPFCOOEQRPSCX-UHFFFAOYSA-N -1 0 371.319 2.870 20 50 FFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001589698347 987780049 /nfs/dbraw/zinc/78/00/49/987780049.db2.gz ASTBDNHDOOWOAC-GXTWGEPZSA-N -1 0 356.260 2.998 20 50 FFGDRM CSC1(C(=O)NNc2cc(C(=O)[O-])ccc2Br)CCC1 ZINC001599784655 987901300 /nfs/dbraw/zinc/90/13/00/987901300.db2.gz XDTBXSDSIVJWRS-UHFFFAOYSA-N -1 0 359.245 2.876 20 50 FFGDRM CCc1ccc([C@H](C)C(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)cc1 ZINC001597512199 988097271 /nfs/dbraw/zinc/09/72/71/988097271.db2.gz RXHOIWXCDRVXHK-LBPRGKRZSA-N -1 0 361.467 2.946 20 50 FFGDRM CSSCCNS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001599805107 988241551 /nfs/dbraw/zinc/24/15/51/988241551.db2.gz ZBXRZBDFXGIXJX-UHFFFAOYSA-N -1 0 357.478 2.828 20 50 FFGDRM CC(C)(C)OC(=O)[C@]1(C(=O)NNc2cccc(C(=O)[O-])c2)CC=CCC1 ZINC001589851902 988381580 /nfs/dbraw/zinc/38/15/80/988381580.db2.gz NGIPVQGKUGYEOT-LJQANCHMSA-N -1 0 360.410 2.896 20 50 FFGDRM CSc1nc(C)c(CCC(=O)NNc2ccc(C)c(C(=O)[O-])c2)c(C)n1 ZINC001599827327 988616584 /nfs/dbraw/zinc/61/65/84/988616584.db2.gz BWWURMLGSMCWDX-UHFFFAOYSA-N -1 0 374.466 2.898 20 50 FFGDRM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)NNc1cccc(Cl)c1 ZINC001590117413 989321849 /nfs/dbraw/zinc/32/18/49/989321849.db2.gz LZPDKOBXADSWNH-LBPRGKRZSA-N -1 0 371.821 2.541 20 50 FFGDRM CC(C)(C)n1ccnc1SCC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001590599865 990256086 /nfs/dbraw/zinc/25/60/86/990256086.db2.gz SNJMQXQCRZIPQZ-UHFFFAOYSA-N -1 0 366.418 2.711 20 50 FFGDRM COc1cccc([C@@H]2C[C@H]2NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001599685190 990976868 /nfs/dbraw/zinc/97/68/68/990976868.db2.gz DTKYGDRKYZNJQR-GOEBONIOSA-N -1 0 359.357 2.715 20 50 FFGDRM COc1cccc([C@@H]2C[C@H]2NC(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001599685415 990980591 /nfs/dbraw/zinc/98/05/91/990980591.db2.gz JYWPQINRSPZGRA-DZGCQCFKSA-N -1 0 359.357 2.715 20 50 FFGDRM CN(C)N(C(=O)c1sccc1C1CC1)c1nc(CC(=O)[O-])cs1 ZINC001598257071 991071198 /nfs/dbraw/zinc/07/11/98/991071198.db2.gz FUPHFGRSRSOGLO-UHFFFAOYSA-N -1 0 351.453 2.833 20 50 FFGDRM COc1ccccc1[C@]1(C)C[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599702253 991237278 /nfs/dbraw/zinc/23/72/78/991237278.db2.gz KCFZYSYZNHMSQY-BEFAXECRSA-N -1 0 373.384 2.889 20 50 FFGDRM CS(=O)(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001599744290 991907257 /nfs/dbraw/zinc/90/72/57/991907257.db2.gz ROACONYBPNKVCE-YVLHZVERSA-N -1 0 357.387 2.873 20 50 FFGDRM COc1ccc2c(c1)[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)CCO2 ZINC001599631782 994229648 /nfs/dbraw/zinc/22/96/48/994229648.db2.gz NLQSVJPOMOJIFY-INIZCTEOSA-N -1 0 371.393 2.852 20 50 FFGDRM COc1ccc2c(ccn2CC(=O)NNc2ccc(C(=O)[O-])cc2OC)c1 ZINC001599633461 994251986 /nfs/dbraw/zinc/25/19/86/994251986.db2.gz BUZUAXRJHRRFKT-UHFFFAOYSA-N -1 0 369.377 2.500 20 50 FFGDRM COc1ccc2c(ccn2CC(=O)NNc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001599633655 994255369 /nfs/dbraw/zinc/25/53/69/994255369.db2.gz IEXIDQUTNQWRSO-UHFFFAOYSA-N -1 0 353.378 2.800 20 50 FFGDRM C[C@H](Oc1ccc(NC(=O)[C@@]2(C)C[C@H]2Br)cc1F)C(=O)[O-] ZINC001593625246 995890896 /nfs/dbraw/zinc/89/08/96/995890896.db2.gz YJACEQQBCNBINW-OXSLBIJZSA-N -1 0 360.179 2.790 20 50 FFGDRM C[C@@H](Oc1ccc(NC(=O)NNc2cccc(C#N)c2)cc1F)C(=O)[O-] ZINC001593630630 995914104 /nfs/dbraw/zinc/91/41/04/995914104.db2.gz DCGHAQHZSURHMZ-SNVBAGLBSA-N -1 0 358.329 2.698 20 50 FFGDRM C[C@]1(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)C[C@H]1Br ZINC001593756494 996408616 /nfs/dbraw/zinc/40/86/16/996408616.db2.gz UAESCPHKGCMYMO-CJNGLKHVSA-N -1 0 370.243 2.720 20 50 FFGDRM CC1(C)C[C@H](CNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)C(C)(C)O1 ZINC001593853623 996633073 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COc1cc(C(=O)[O-])ccc1NNC(=O)c1cccnc1C(F)(F)F ZINC001599376954 998501835 /nfs/dbraw/zinc/50/18/35/998501835.db2.gz WZTPZMJMGVCDQT-UHFFFAOYSA-N -1 0 355.272 2.564 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC001599377095 998504390 /nfs/dbraw/zinc/50/43/90/998504390.db2.gz JOFWUZWMAOOBRS-LUAWRHEFSA-N -1 0 371.349 2.848 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)C[C@@H]1OCCc2ccccc21 ZINC001599377360 998508476 /nfs/dbraw/zinc/50/84/76/998508476.db2.gz VIAKEPNUVVLYDK-INIZCTEOSA-N -1 0 356.378 2.541 20 50 FFGDRM C[C@@H]1C[C@@H](C(=O)NNc2cc(C(=O)[O-])ccc2Br)CCC1=O ZINC001594202861 998781471 /nfs/dbraw/zinc/78/14/71/998781471.db2.gz BMVZOQNAVPCWIM-BDAKNGLRSA-N -1 0 369.215 2.596 20 50 FFGDRM COC(=O)c1cccc(NNC(=O)Nc2cc(C(=O)[O-])sc2C)c1F ZINC001598999147 998808077 /nfs/dbraw/zinc/80/80/77/998808077.db2.gz BNNDSRIBJSLXCY-UHFFFAOYSA-N -1 0 367.358 2.829 20 50 FFGDRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001594272642 999055463 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2.560 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2cnn(-c3ccccc3F)c2)ccc1[N+](=O)[O-] ZINC000740308586 978675258 /nfs/dbraw/zinc/67/52/58/978675258.db2.gz WUUAVRFNNCEEAL-UHFFFAOYSA-N -1 0 371.280 2.837 20 50 FFGDRM C[C@@H](Oc1ccc(C=NNC(=O)c2cccc3cccnc32)cc1)C(=O)[O-] ZINC000794899481 978826539 /nfs/dbraw/zinc/82/65/39/978826539.db2.gz MXDULHUOVDRAGF-CYBMUJFWSA-N -1 0 363.373 2.851 20 50 FFGDRM CC[C@H](COCC(F)(F)F)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001595197893 979921018 /nfs/dbraw/zinc/92/10/18/979921018.db2.gz GLXYKTYTWXCKIL-SECBINFHSA-N -1 0 367.299 2.508 20 50 FFGDRM CC[C@@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1c(C)noc1C ZINC001595253216 980228658 /nfs/dbraw/zinc/22/86/58/980228658.db2.gz WLMNRYLRPYMZEZ-CYBMUJFWSA-N -1 0 350.350 2.906 20 50 FFGDRM CCC[C@H](OCC)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595615920 981639671 /nfs/dbraw/zinc/63/96/71/981639671.db2.gz VCHBGKUIZKZSMA-LBPRGKRZSA-N -1 0 359.220 2.796 20 50 FFGDRM CCCCC[C@@H](O)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595689607 982187712 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C=CCNC(=O)c1ccc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001588843600 984353017 /nfs/dbraw/zinc/35/30/17/984353017.db2.gz AMZQAMXBXFMTLV-UHFFFAOYSA-N -1 0 372.356 2.588 20 50 FFGDRM CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccoc2C(=O)[O-])cc1 ZINC001596723732 984971539 /nfs/dbraw/zinc/97/15/39/984971539.db2.gz OLSLFNUQGVKLQV-LCYFTJDESA-N -1 0 354.318 2.700 20 50 FFGDRM CC(=NNC(=O)c1cccn1C)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589012477 984992874 /nfs/dbraw/zinc/99/28/74/984992874.db2.gz MUUJNLSIUDECCD-UHFFFAOYSA-N -1 0 356.407 2.795 20 50 FFGDRM CCOc1ccc(/C=C(\C#N)C(=O)OCc2cccc(C(=O)[O-])n2)cc1 ZINC001597082116 986631364 /nfs/dbraw/zinc/63/13/64/986631364.db2.gz WNYTZDMAIDYVJJ-GXDHUFHOSA-N -1 0 352.346 2.829 20 50 FFGDRM C[C@@H](C(=O)[O-])N(C1CCC1)S(=O)(=O)c1ccc(CCCCl)cc1 ZINC001589478602 986997837 /nfs/dbraw/zinc/99/78/37/986997837.db2.gz GBISDOXIHYSBSW-LBPRGKRZSA-N -1 0 359.875 2.874 20 50 FFGDRM CC(C)(C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1cccc(C(F)(F)F)n1 ZINC001589574750 987348121 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COc1cc(C(=O)[O-])ccc1NNC(=O)C[C@@H](C)N1CCc2ccccc21 ZINC001599376890 998501156 /nfs/dbraw/zinc/50/11/56/998501156.db2.gz FMLVHHFIXHNHGC-CYBMUJFWSA-N -1 0 369.421 2.678 20 50 FFGDRM C[C@@H]1C[C@H](C(=O)NNc2cc(C(=O)[O-])ccc2Br)CCC1=O ZINC001594202864 998781891 /nfs/dbraw/zinc/78/18/91/998781891.db2.gz BMVZOQNAVPCWIM-RKDXNWHRSA-N -1 0 369.215 2.596 20 50 FFGDRM COC(=O)c1cccc(NNC(=O)Nc2ccc(C(=O)[O-])cc2C)c1F ZINC001598999901 998814850 /nfs/dbraw/zinc/81/48/50/998814850.db2.gz UXPMHNDQPOYFKM-UHFFFAOYSA-N -1 0 361.329 2.768 20 50 FFGDRM N#Cc1ccc(C(=O)NN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000833072686 600746070 /nfs/dbraw/zinc/74/60/70/600746070.db2.gz XFWQVCQFWQYHLF-CQSZACIVSA-N -1 0 364.188 2.925 20 50 FFGDRM N#Cc1cccc([C@@H](NNC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)[O-])c1 ZINC000833075660 601298757 /nfs/dbraw/zinc/29/87/57/601298757.db2.gz MYCPFRDHQDENID-SJFHUFEGSA-N -1 0 353.422 2.521 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CC(=O)[O-])C2CC2)c1C ZINC000831650698 601530126 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FFGDRM O=C([O-])N[C@H](CC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1 ZINC000834125352 605631808 /nfs/dbraw/zinc/63/18/08/605631808.db2.gz DNGBDLVRSABVFV-CYBMUJFWSA-N -1 0 353.300 2.946 20 50 FFGDRM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833440730 605732254 /nfs/dbraw/zinc/73/22/54/605732254.db2.gz MSQPMTYHXBYBLY-WCQYABFASA-N -1 0 363.414 2.521 20 50 FFGDRM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833440731 605732325 /nfs/dbraw/zinc/73/23/25/605732325.db2.gz MSQPMTYHXBYBLY-YPMHNXCESA-N -1 0 363.414 2.521 20 50 FFGDRM O=C([O-])Nc1cnc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cn1 ZINC000834279056 606034325 /nfs/dbraw/zinc/03/43/25/606034325.db2.gz FAYFFQPBBVGJHN-UHFFFAOYSA-N -1 0 354.278 2.847 20 50 FFGDRM C[C@@H](CCC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccccc1 ZINC000824402951 608578073 /nfs/dbraw/zinc/57/80/73/608578073.db2.gz ZEVJJEMMDQDWEV-NSHDSACASA-N -1 0 371.832 2.942 20 50 FFGDRM O=C([O-])CCCCCNC(=O)[C@]1(c2ccccc2)C[C@@H]1Br ZINC001595035938 951404648 /nfs/dbraw/zinc/40/46/48/951404648.db2.gz OXCKNAYYZJCNTK-BBRMVZONSA-N -1 0 354.244 2.853 20 50 FFGDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)c2ccccc21 ZINC001594780044 953620360 /nfs/dbraw/zinc/62/03/60/953620360.db2.gz FWOBLEXZFFVUME-HUUCEWRRSA-N -1 0 373.796 2.597 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccccc1OCC(F)(F)F ZINC001594781822 953637236 /nfs/dbraw/zinc/63/72/36/953637236.db2.gz IYKFBHHGIDJAAI-UHFFFAOYSA-N -1 0 370.287 2.870 20 50 FFGDRM O=C([O-])CCCNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000819443054 955445897 /nfs/dbraw/zinc/44/58/97/955445897.db2.gz IVJKCRKRYOXHQJ-UHFFFAOYSA-N -1 0 356.382 2.554 20 50 FFGDRM COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1C ZINC001594024901 957703290 /nfs/dbraw/zinc/70/32/90/957703290.db2.gz ZZNBBOWZGTUDKP-ZKTNYTPDSA-N -1 0 373.453 2.514 20 50 FFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)C1(c2cccnc2)CC2(CCC2)C1 ZINC001574821009 957911892 /nfs/dbraw/zinc/91/18/92/957911892.db2.gz YAGCHXLTBQIKQM-UHFFFAOYSA-N -1 0 352.394 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CC(C)n1ncc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1Cl ZINC001592157179 977033468 /nfs/dbraw/zinc/03/34/68/977033468.db2.gz GHLNHHNVZHTRJB-UHFFFAOYSA-N -1 0 353.718 2.943 20 50 FFGDRM C[C@@H](CBr)COC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001592212341 977267352 /nfs/dbraw/zinc/26/73/52/977267352.db2.gz QLQJVEPTPBQAIN-JTQLQIEISA-N -1 0 367.199 2.758 20 50 FFGDRM CC(C)c1ccccc1NC(=S)NNC(=O)CCCN(C)C(=O)[O-] ZINC000736523480 978341085 /nfs/dbraw/zinc/34/10/85/978341085.db2.gz RWVXGFZOIGPMDG-UHFFFAOYSA-N -1 0 352.460 2.518 20 50 FFGDRM C[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736708584 978351369 /nfs/dbraw/zinc/35/13/69/978351369.db2.gz UQACKXAJHAQKBK-JTQLQIEISA-N -1 0 356.290 2.538 20 50 FFGDRM COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737987473 978464381 /nfs/dbraw/zinc/46/43/81/978464381.db2.gz UAADKULOCUDBGC-CFINBHSISA-N -1 0 362.341 2.843 20 50 FFGDRM C[C@@H](Oc1ccc(C=NNC(=O)Cn2ccc3ccccc32)cc1)C(=O)[O-] ZINC000794908735 978828130 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CCOc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])c2ncccc12 ZINC001573920027 961524480 /nfs/dbraw/zinc/52/44/80/961524480.db2.gz ROCGMHJLRDVEKJ-UHFFFAOYSA-N -1 0 367.365 2.875 20 50 FFGDRM CC(C)(C)[C@@H](Br)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001332623764 961607936 /nfs/dbraw/zinc/60/79/36/961607936.db2.gz PBZRQZOPNNBYMU-VGMNWLOBSA-N -1 0 374.197 2.908 20 50 FFGDRM N#Cc1ccc(Br)c(NNC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001574486517 961685656 /nfs/dbraw/zinc/68/56/56/961685656.db2.gz ZHXJJMKWXHPGRN-UHFFFAOYSA-N -1 0 360.167 2.776 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1ccnc(Oc2ccccc2)c1 ZINC001574578431 962090540 /nfs/dbraw/zinc/09/05/40/962090540.db2.gz HGXUPCRAPNTZBB-UHFFFAOYSA-N -1 0 350.334 2.724 20 50 FFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC001605820841 972548584 /nfs/dbraw/zinc/54/85/84/972548584.db2.gz HIXDLTGYSOEZML-NSHDSACASA-N -1 0 354.288 2.710 20 50 FFGDRM Cc1cc(NC(=O)NNC(=O)CCCc2ccccc2)ccc1C(=O)[O-] ZINC001605202463 972942560 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FFGDRM N#Cc1cccc(NNC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000739133687 978619283 /nfs/dbraw/zinc/61/92/83/978619283.db2.gz MPBWWTNVRYVIFP-UHFFFAOYSA-N -1 0 368.393 2.628 20 50 FFGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)CCOc3ccccc3)c2c1 ZINC000739250315 978623753 /nfs/dbraw/zinc/62/37/53/978623753.db2.gz GPGQSHGZEAHFLT-UHFFFAOYSA-N -1 0 351.362 2.785 20 50 FFGDRM O=C([O-])COc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1 ZINC000739823646 978655201 /nfs/dbraw/zinc/65/52/01/978655201.db2.gz FPRWJQFUKDKQRB-UHFFFAOYSA-N -1 0 354.284 2.926 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2cnn(-c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000740307442 978674861 /nfs/dbraw/zinc/67/48/61/978674861.db2.gz NKGHVSBVJBFXSN-UHFFFAOYSA-N -1 0 353.290 2.698 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2ccc(N3CCCC3=O)cc2)ccc1[N+](=O)[O-] ZINC000740308481 978675351 /nfs/dbraw/zinc/67/53/51/978675351.db2.gz UKOYUAVMBVNROQ-UHFFFAOYSA-N -1 0 370.317 2.639 20 50 FFGDRM O=C([O-])c1ccc(C=NNC(=O)NCc2cccc(C(F)(F)F)c2)[nH]1 ZINC000749816032 978690495 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20 50 FFGDRM CCOC(=O)C1CCC(CC(=O)NNc2ccc(C(=O)[O-])cc2F)CC1 ZINC001596568523 984456117 /nfs/dbraw/zinc/45/61/17/984456117.db2.gz LCBJXEMSFNUBTI-UHFFFAOYSA-N -1 0 366.389 2.727 20 50 FFGDRM CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(C(=O)[O-])n2)cc1 ZINC001596723616 984971381 /nfs/dbraw/zinc/97/13/81/984971381.db2.gz NJIXMBMVCLNUBI-RAXLEYEMSA-N -1 0 365.345 2.502 20 50 FFGDRM CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C(=O)[O-])co2)cc1 ZINC001596723720 984971416 /nfs/dbraw/zinc/97/14/16/984971416.db2.gz NNPPACDTRZAGKZ-KPKJPENVSA-N -1 0 354.318 2.700 20 50 FFGDRM CCO[C@H](C(=O)NNc1cc(C(=O)[O-])ccc1Br)C(C)C ZINC001596761860 985157573 /nfs/dbraw/zinc/15/75/73/985157573.db2.gz JAHWHYXNLUZCAC-LBPRGKRZSA-N -1 0 359.220 2.652 20 50 FFGDRM CC(=O)c1cccc(O[C@H](C)C(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001589311064 986091269 /nfs/dbraw/zinc/09/12/69/986091269.db2.gz JFTSKBSYXHWIAP-LLVKDONJSA-N -1 0 360.341 2.637 20 50 FFGDRM Cc1c(C(=O)NNc2ccc(CC(=O)[O-])cc2)cnn1-c1ccccc1F ZINC001599982117 986178066 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ZINC001591775214 975917373 /nfs/dbraw/zinc/91/73/73/975917373.db2.gz MISDMRAEXMTHAP-UHFFFAOYSA-N -1 0 357.410 2.927 20 50 FFGDRM C[C@H](CCC(=O)NNc1ccc(C(=O)[O-])c(F)c1)NC(=O)OC(C)(C)C ZINC001592470724 978224155 /nfs/dbraw/zinc/22/41/55/978224155.db2.gz LCEPKVIDVBBSOB-SNVBAGLBSA-N -1 0 369.393 2.660 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1C ZINC000737749714 978442205 /nfs/dbraw/zinc/44/22/05/978442205.db2.gz ZQNBNLWNERAERK-JUTLAJOSSA-N -1 0 373.453 2.589 20 50 FFGDRM O=C([O-])[C@@H](NNC(=O)CN1CCCc2ccccc21)c1cccc(Cl)c1 ZINC000739289252 978627017 /nfs/dbraw/zinc/62/70/17/978627017.db2.gz HEQMYMGUHOLTJF-SFHVURJKSA-N -1 0 373.840 2.539 20 50 FFGDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NNc1c(Cl)cc(Br)cc1Cl ZINC000739545977 978644001 /nfs/dbraw/zinc/64/40/01/978644001.db2.gz DCAGQUVZSVLLCN-NTSWFWBYSA-N -1 0 368.014 2.920 20 50 FFGDRM O=C([O-])c1cc(OC(=O)C2(c3ccccc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000740086945 978666725 /nfs/dbraw/zinc/66/67/25/978666725.db2.gz FDHIJGVZKMTGQB-UHFFFAOYSA-N -1 0 371.345 2.947 20 50 FFGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)c2c1 ZINC000740190162 978672090 /nfs/dbraw/zinc/67/20/90/978672090.db2.gz KRYJLBOUCFNGSQ-UHFFFAOYSA-N -1 0 352.306 2.538 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1[N+](=O)[O-] ZINC000740304897 978674004 /nfs/dbraw/zinc/67/40/04/978674004.db2.gz ZKKNZSPZJXMMIA-UHFFFAOYSA-N -1 0 370.317 2.787 20 50 FFGDRM C[C@@H](Oc1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000794882708 978825700 /nfs/dbraw/zinc/82/57/00/978825700.db2.gz TTZIRFWYQUPGFQ-GFCCVEGCSA-N -1 0 360.797 2.885 20 50 FFGDRM CCC(CC)(CCOC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C)C(=O)[O-] ZINC001595060147 979314190 /nfs/dbraw/zinc/31/41/90/979314190.db2.gz AWATZGYYSGEGQO-OQLLNIDSSA-N -1 0 357.410 2.936 20 50 FFGDRM CCC(CC)[C@H]1C[C@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)CCO1 ZINC001595110225 979453582 /nfs/dbraw/zinc/45/35/82/979453582.db2.gz VDSLZBZSQYLAPL-IAGOWNOFSA-N -1 0 363.458 2.924 20 50 FFGDRM Cc1nn(CCCl)c(C)c1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000852956208 979589560 /nfs/dbraw/zinc/58/95/60/979589560.db2.gz HHBMXVLSMHBMNE-HNNXBMFYSA-N -1 0 361.829 2.563 20 50 FFGDRM CCC1(CC)[C@H](NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)[C@H](C)[C@@H]1OC ZINC001595374201 980881578 /nfs/dbraw/zinc/88/15/78/980881578.db2.gz WMRYSUNERAGJJB-VQISRLSMSA-N -1 0 367.421 2.990 20 50 FFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(C(=O)[O-])CCOCC2)c1C ZINC001595803413 982624549 /nfs/dbraw/zinc/62/45/49/982624549.db2.gz RSHKXORKNGKFIY-SFQUDFHCSA-N -1 0 373.453 2.562 20 50 FFGDRM CCCCn1cc(CNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c(C)n1 ZINC001595805097 982630037 /nfs/dbraw/zinc/63/00/37/982630037.db2.gz OVAVPOZSVGIHIS-UHFFFAOYSA-N -1 0 363.393 2.655 20 50 FFGDRM CCC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)C(=O)[O-] ZINC001595987955 983241612 /nfs/dbraw/zinc/24/16/12/983241612.db2.gz UGLKGGYHFGQGQK-ARLDCUANSA-N -1 0 373.453 2.560 20 50 FFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1C ZINC001596107213 983431451 /nfs/dbraw/zinc/43/14/51/983431451.db2.gz ACMRDPGMRGRLSO-BOPFTXTBSA-N -1 0 368.437 2.639 20 50 FFGDRM C=C(CBr)CN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001588606363 983697347 /nfs/dbraw/zinc/69/73/47/983697347.db2.gz YUXLYPMZWBOFKY-ZDUSSCGKSA-N -1 0 353.260 2.846 20 50 FFGDRM CCO[C@@H]1C[C@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)C12CCCC2 ZINC001596821339 985415414 /nfs/dbraw/zinc/41/54/14/985415414.db2.gz DLHNTHPOWNLCJS-JKSUJKDBSA-N -1 0 361.442 2.678 20 50 FFGDRM C[Si](C)(C)c1ccc(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC001599939278 985434811 /nfs/dbraw/zinc/43/48/11/985434811.db2.gz DSKRWTNEGUQDLU-UHFFFAOYSA-N -1 0 373.437 2.986 20 50 FFGDRM CC(=O)Nc1cccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)c1C ZINC001589211260 985702778 /nfs/dbraw/zinc/70/27/78/985702778.db2.gz HJUDVFMMDBQEGK-UHFFFAOYSA-N -1 0 360.345 2.939 20 50 FFGDRM CC(=O)Nc1cccc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1C ZINC001589212120 985705908 /nfs/dbraw/zinc/70/59/08/985705908.db2.gz SWRBELCJVRHIDT-UHFFFAOYSA-N -1 0 360.345 2.939 20 50 FFGDRM Cc1c(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cnn1-c1ccccn1 ZINC001599982539 986184502 /nfs/dbraw/zinc/18/45/02/986184502.db2.gz ZZMHPAABNFJHFX-UHFFFAOYSA-N -1 0 371.784 2.684 20 50 FFGDRM C[C@@H]1CN(c2ccc(C(=O)NNc3cccc(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC001594561539 986319666 /nfs/dbraw/zinc/31/96/66/986319666.db2.gz IXXQDPQBNCQHNV-OKILXGFUSA-N -1 0 369.421 2.755 20 50 FFGDRM C[C@H]1CN(c2ccc(C(=O)NNc3cccc(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC001594561537 986319869 /nfs/dbraw/zinc/31/98/69/986319869.db2.gz IXXQDPQBNCQHNV-KBPBESRZSA-N -1 0 369.421 2.755 20 50 FFGDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NNc1ncccc1Cl ZINC001597019986 986397840 /nfs/dbraw/zinc/39/78/40/986397840.db2.gz DSLKEVQVAMZDGU-UHFFFAOYSA-N -1 0 350.762 2.981 20 50 FFGDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NNc1cccc([N+](=O)[O-])c1 ZINC001597021559 986412035 /nfs/dbraw/zinc/41/20/35/986412035.db2.gz ZRLQAHRQUOUPKA-UHFFFAOYSA-N -1 0 360.326 2.840 20 50 FFGDRM CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001597082068 986631281 /nfs/dbraw/zinc/63/12/81/986631281.db2.gz WFBDGRNJFXVFGF-MGSUUYSMSA-N -1 0 354.406 2.848 20 50 FFGDRM CCc1ccc(-c2cc(C(=O)NN=C3CCC[C@H](C(=O)[O-])C3)[nH]n2)cc1 ZINC001597489558 988011729 /nfs/dbraw/zinc/01/17/29/988011729.db2.gz LKHKIGKUILBGOS-AWEZNQCLSA-N -1 0 354.410 3.000 20 50 FFGDRM CC(C)(C)C[C@H](O)CC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001589756615 988066354 /nfs/dbraw/zinc/06/63/54/988066354.db2.gz BBHHOLBBEYVKOH-SNVBAGLBSA-N -1 0 373.247 2.778 20 50 FFGDRM CCc1ccc(NNC(=O)C(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1 ZINC001597551738 988276178 /nfs/dbraw/zinc/27/61/78/988276178.db2.gz LGSNFDOKGJOHFT-UHFFFAOYSA-N -1 0 361.423 2.707 20 50 FFGDRM CSc1cc(/C(C#N)=C\c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)ncn1 ZINC001599808538 988295505 /nfs/dbraw/zinc/29/55/05/988295505.db2.gz JDZIOHBNFWPKFI-WCIBSUBMSA-N -1 0 372.362 2.634 20 50 FFGDRM CCc1cccc(C)c1NNC(=O)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001597580714 988382278 /nfs/dbraw/zinc/38/22/78/988382278.db2.gz BSWAMEYUQKCMJN-ZDUSSCGKSA-N -1 0 369.421 2.827 20 50 FFGDRM CCc1ccccc1OCC(=O)NN[C@H](C(=O)[O-])c1ccccc1Cl ZINC001597614585 988520316 /nfs/dbraw/zinc/52/03/16/988520316.db2.gz DHTKZOSTAGOALL-KRWDZBQOSA-N -1 0 362.813 2.728 20 50 FFGDRM CCc1nc2ccccc2n1CCC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001597695506 988894114 /nfs/dbraw/zinc/89/41/14/988894114.db2.gz HEFBSFXDLXVCRN-UHFFFAOYSA-N -1 0 370.384 2.969 20 50 FFGDRM CC(C)(C)c1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)c(=O)[nH]1 ZINC001590487495 990087773 /nfs/dbraw/zinc/08/77/73/990087773.db2.gz MKFOQTUAQADVNH-UHFFFAOYSA-N -1 0 358.398 2.609 20 50 FFGDRM CC(C)(CC=NNC(=O)CSc1nc2ccccc2s1)C(=O)[O-] ZINC001590653654 990343295 /nfs/dbraw/zinc/34/32/95/990343295.db2.gz BSTGWNNXRWVUHO-UHFFFAOYSA-N -1 0 351.453 2.991 20 50 FFGDRM CC(C)(CCNC(=O)[C@]1(c2ccccc2)C[C@@H]1Br)C(=O)[O-] ZINC001590670387 990370399 /nfs/dbraw/zinc/37/03/99/990370399.db2.gz RGLYXWHIHTVVMW-LRDDRELGSA-N -1 0 354.244 2.709 20 50 FFGDRM CC(C)(CCNC(=O)NNc1ncc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001590679480 990391061 /nfs/dbraw/zinc/39/10/61/990391061.db2.gz OYZIYQWFUKTOEG-UHFFFAOYSA-N -1 0 368.743 2.881 20 50 FFGDRM CC(C)(CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C1=CCOCC1 ZINC001590726697 990520716 /nfs/dbraw/zinc/52/07/16/990520716.db2.gz VMLJGMJVTLCWGC-UHFFFAOYSA-N -1 0 351.378 2.523 20 50 FFGDRM COc1cccc2c1CC[C@H]2NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599690230 991057194 /nfs/dbraw/zinc/05/71/94/991057194.db2.gz CBKJOQOIDAOIOE-CYBMUJFWSA-N -1 0 359.357 2.846 20 50 FFGDRM CN(C)N(C(=O)/C=C/SCc1ccco1)c1nc(CC(=O)[O-])cs1 ZINC001598256558 991067322 /nfs/dbraw/zinc/06/73/22/991067322.db2.gz SAGOCSZXEZTGIZ-FNORWQNLSA-N -1 0 367.452 2.620 20 50 FFGDRM CN(C)N(C(=O)c1cc(F)c2ncccc2c1)c1nc(CC(=O)[O-])cs1 ZINC001598257496 991073292 /nfs/dbraw/zinc/07/32/92/991073292.db2.gz MOUGBFQXRJTTEP-UHFFFAOYSA-N -1 0 374.397 2.581 20 50 FFGDRM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599702254 991237197 /nfs/dbraw/zinc/23/71/97/991237197.db2.gz KCFZYSYZNHMSQY-DNVCBOLYSA-N -1 0 373.384 2.889 20 50 FFGDRM COc1cnc2ccccc2c1C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599725460 991615965 /nfs/dbraw/zinc/61/59/65/991615965.db2.gz FROYNPKZZWAFHO-UHFFFAOYSA-N -1 0 351.362 2.627 20 50 FFGDRM COc1nccnc1NNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001599738346 991808512 /nfs/dbraw/zinc/80/85/12/991808512.db2.gz GCGOMOSFVFTJKX-UHFFFAOYSA-N -1 0 359.367 2.547 20 50 FFGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)c1cccc([N+](=O)[O-])c1 ZINC001593101920 993739566 /nfs/dbraw/zinc/73/95/66/993739566.db2.gz NMDXLMUXFYXXGU-VIFPVBQESA-N -1 0 362.317 2.819 20 50 FFGDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599622384 994102357 /nfs/dbraw/zinc/10/23/57/994102357.db2.gz JNLWZGPFQBIONX-UHFFFAOYSA-N -1 0 364.289 2.589 20 50 FFGDRM COc1cccc(/C=C(\C#N)C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001599665114 994717865 /nfs/dbraw/zinc/71/78/65/994717865.db2.gz PQOSDDOCYNJZHE-BXBHGGAKSA-N -1 0 351.358 2.841 20 50 FFGDRM CNc1c(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cccc1[N+](=O)[O-] ZINC001598676903 994860738 /nfs/dbraw/zinc/86/07/38/994860738.db2.gz FKGIMDQGDCUBMH-UHFFFAOYSA-N -1 0 364.745 2.745 20 50 FFGDRM C[C@H](Oc1ccc(NC(=O)NNc2cccc(C#N)c2)cc1F)C(=O)[O-] ZINC001593630620 995914171 /nfs/dbraw/zinc/91/41/71/995914171.db2.gz DCGHAQHZSURHMZ-JTQLQIEISA-N -1 0 358.329 2.698 20 50 FFGDRM C[C@@H](Oc1ccccc1F)C(=O)NN=Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001593651819 996013877 /nfs/dbraw/zinc/01/38/77/996013877.db2.gz RWRKWIGIZFTXFR-GFCCVEGCSA-N -1 0 373.384 2.579 20 50 FFGDRM C[C@@H](Sc1ccccc1C(=O)NN(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001593672270 996074843 /nfs/dbraw/zinc/07/48/43/996074843.db2.gz NWJJJZXKWHPQRM-SNVBAGLBSA-N -1 0 354.428 2.764 20 50 FFGDRM CC1(C)C[C@H](CNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C(C)(C)O1 ZINC001593852952 996628888 /nfs/dbraw/zinc/62/88/88/996628888.db2.gz FIBSVDQUSPIPFI-SNVBAGLBSA-N -1 0 353.394 2.744 20 50 FFGDRM COC(=O)N(C)N=Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001598877699 996774780 /nfs/dbraw/zinc/77/47/80/996774780.db2.gz RWIDUMABCQRIPG-UHFFFAOYSA-N -1 0 362.338 2.598 20 50 FFGDRM COc1ccc(C(=O)NNc2ccccc2C(=O)[O-])c(OC(F)F)c1 ZINC001599483610 996807956 /nfs/dbraw/zinc/80/79/56/996807956.db2.gz GHXRREGSOUIUAK-UHFFFAOYSA-N -1 0 352.293 2.752 20 50 FFGDRM C[C@]1(CNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)CCOC2(CCC2)C1 ZINC001594020628 997530350 /nfs/dbraw/zinc/53/03/50/997530350.db2.gz UUXZWDRVDRKDFB-KRWDZBQOSA-N -1 0 365.405 2.889 20 50 FFGDRM COC(=O)c1cc(COC(=O)/C(C#N)=C\c2ccccc2)cc(C(=O)[O-])c1 ZINC001598933641 997819487 /nfs/dbraw/zinc/81/94/87/997819487.db2.gz PUOUHPKFBMTRJG-IDUWFGFVSA-N -1 0 365.341 2.822 20 50 FFGDRM COc1cc(OC(=O)c2c(C)nn(CCCl)c2C)ccc1C(=O)[O-] ZINC001599447849 998038591 /nfs/dbraw/zinc/03/85/91/998038591.db2.gz PMILIPRITZYVOR-UHFFFAOYSA-N -1 0 352.774 2.665 20 50 FFGDRM COc1cc2cc(C(=O)NNc3cccc(F)c3C(=O)[O-])[nH]c2cc1OC ZINC001599466142 998364687 /nfs/dbraw/zinc/36/46/87/998364687.db2.gz PAEOMCNLKAPRPD-UHFFFAOYSA-N -1 0 373.340 2.779 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@H](C)Oc1cccc(C(C)=O)c1 ZINC001599376595 998496275 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371.301 2.683 20 50 FFGDRM COc1cc(C(=O)NN=CC2CCN(C(=O)[O-])CC2)ccc1OC(C)C ZINC000829088302 603857386 /nfs/dbraw/zinc/85/73/86/603857386.db2.gz WSCXYPHBGVTBSF-UHFFFAOYSA-N -1 0 363.414 2.588 20 50 FFGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1ccc(F)cc1Br ZINC000833480634 604934644 /nfs/dbraw/zinc/93/46/44/604934644.db2.gz RKOKGWZVRVOQGL-LLVKDONJSA-N -1 0 362.199 2.714 20 50 FFGDRM C[C@@]1(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)Cc2ccccc2C(=O)O1 ZINC000833552740 605247942 /nfs/dbraw/zinc/24/79/42/605247942.db2.gz JGCXFWQLFBFAGX-SFHVURJKSA-N -1 0 374.780 2.653 20 50 FFGDRM O=C([O-])N(CC(=O)NNc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000831450584 605355725 /nfs/dbraw/zinc/35/57/25/605355725.db2.gz FCGJNZCUZZGAIS-UHFFFAOYSA-N -1 0 354.288 2.728 20 50 FFGDRM COc1ccc2[nH]c(=NNC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)c(C)cc2c1 ZINC000833735355 605412948 /nfs/dbraw/zinc/41/29/48/605412948.db2.gz XBPIIGCGGBMVGS-OLZOCXBDSA-N -1 0 357.410 2.886 20 50 FFGDRM CC(C[C@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1ccc(CN(C)C)o1 ZINC000824758700 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O=C([O-])CCC(=O)NNc1ccc(Br)cc1C(F)(F)F ZINC000842640792 955603243 /nfs/dbraw/zinc/60/32/43/955603243.db2.gz BKFRITNQYDRFOO-UHFFFAOYSA-N -1 0 355.110 2.776 20 50 FFGDRM C[C@@H]1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)C[C@@H]1C(=O)[O-] ZINC000843304663 955624293 /nfs/dbraw/zinc/62/42/93/955624293.db2.gz OIVHHKKWJYIOGW-DOMZBBRYSA-N -1 0 359.875 2.589 20 50 FFGDRM C[C@](NC(=O)NN=c1[nH]cccc1C(=O)[O-])(c1ccccc1)C(F)(F)F ZINC001589108307 956042715 /nfs/dbraw/zinc/04/27/15/956042715.db2.gz KDLHBWMQDGJYSL-HNNXBMFYSA-N -1 0 368.315 2.884 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)C=CSc1cc(F)ccc1F ZINC001594670029 956611069 /nfs/dbraw/zinc/61/10/69/956611069.db2.gz LNWVOTXNQMOLSW-ALCCZGGFSA-N -1 0 351.334 2.807 20 50 FFGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl ZINC001589220259 956766775 /nfs/dbraw/zinc/76/67/75/956766775.db2.gz ZYSFSBKCOOMCSA-AWEZNQCLSA-N -1 0 360.197 2.647 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)COc1ccc(Cl)cc1Cl ZINC001594702590 956817498 /nfs/dbraw/zinc/81/74/98/956817498.db2.gz QJOKFBUJPSIQBO-UHFFFAOYSA-N -1 0 356.165 2.609 20 50 FFGDRM Cc1cc(Cl)ccc1NNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001594308383 957990660 /nfs/dbraw/zinc/99/06/60/957990660.db2.gz WWKXYCNFFBOUAE-UHFFFAOYSA-N -1 0 351.794 2.813 20 50 FFGDRM Cc1ccc(NC(=O)NNC(=O)/C=C/c2ccc(C(=O)[O-])o2)c(Cl)c1 ZINC001594372870 958552756 /nfs/dbraw/zinc/55/27/56/958552756.db2.gz WXDSFBQAOJPIEQ-QPJJXVBHSA-N -1 0 363.757 2.806 20 50 FFGDRM COc1cccc2nc(NC(=O)NNc3ncccc3C(=O)[O-])sc21 ZINC001594136574 958713391 /nfs/dbraw/zinc/71/33/91/958713391.db2.gz XJDNOARSTZQJJS-UHFFFAOYSA-N -1 0 359.367 2.547 20 50 FFGDRM CCCCc1ccc(NC(=S)NNC(=O)[C@H](C(=O)[O-])C(C)C)cc1 ZINC001573848994 961119739 /nfs/dbraw/zinc/11/97/39/961119739.db2.gz YXDWFMYFDXFELB-CQSZACIVSA-N -1 0 351.472 2.704 20 50 FFGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC001588739512 961152933 /nfs/dbraw/zinc/15/29/33/961152933.db2.gz SEFQNRWFYIYWSI-LBPRGKRZSA-N -1 0 365.506 2.801 20 50 FFGDRM O=C([O-])COc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1 ZINC001574732368 962850541 /nfs/dbraw/zinc/85/05/41/962850541.db2.gz NQPGELAEFQBINP-UHFFFAOYSA-N -1 0 370.283 2.806 20 50 FFGDRM Cc1cc(C(=O)NNc2ncccc2C(=O)[O-])nn1-c1ccc(Cl)cc1 ZINC001605120406 972779154 /nfs/dbraw/zinc/77/91/54/972779154.db2.gz BNKRSSYBKNTEPX-UHFFFAOYSA-N -1 0 371.784 2.684 20 50 FFGDRM O=C([O-])C1(C(=O)NNc2c(F)cc(F)cc2Br)CC=CC1 ZINC001605936019 972878737 /nfs/dbraw/zinc/87/87/37/972878737.db2.gz XLFWBDKYZLHHGE-UHFFFAOYSA-N -1 0 361.142 2.591 20 50 FFGDRM Cc1cc(NC(=O)NNC(=O)c2c[nH]c3ccccc23)ccc1C(=O)[O-] ZINC001605201858 972935235 /nfs/dbraw/zinc/93/52/35/972935235.db2.gz BDKBDTBWCCXWJL-UHFFFAOYSA-N -1 0 352.350 2.641 20 50 FFGDRM CC(C)Oc1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2F)cn1 ZINC001591774939 975913735 /nfs/dbraw/zinc/91/37/35/975913735.db2.gz AOAIANQADZWXJV-UHFFFAOYSA-N -1 0 362.361 2.532 20 50 FFGDRM C[C@H](CCC(=O)NNc1cccc(C(=O)[O-])c1)NC(=O)OC(C)(C)C ZINC001592471836 978234942 /nfs/dbraw/zinc/23/49/42/978234942.db2.gz WFSKUDQVSXESDD-LLVKDONJSA-N -1 0 351.403 2.521 20 50 FFGDRM CCN(Cc1cccc(NC(=O)NNC(=O)[O-])c1)C(=O)OC(C)(C)C ZINC000737103290 978379576 /nfs/dbraw/zinc/37/95/76/978379576.db2.gz GVBBPQWHVVBTLT-UHFFFAOYSA-N -1 0 352.391 2.748 20 50 FFGDRM CCc1[nH]c(C(=O)NNC(=O)[C@@H](CC)c2ccccc2)c(C)c1C(=O)[O-] ZINC000737245441 978391704 /nfs/dbraw/zinc/39/17/04/978391704.db2.gz YVCBTFAMSRPDLD-ZDUSSCGKSA-N -1 0 357.410 2.539 20 50 FFGDRM COC(=O)c1ccc(CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737697084 978431734 /nfs/dbraw/zinc/43/17/34/978431734.db2.gz OCKVSHRACWHEDP-UHFFFAOYSA-N -1 0 373.317 2.618 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)CC(=O)[O-])c1C ZINC000737749649 978442142 /nfs/dbraw/zinc/44/21/42/978442142.db2.gz YZVYKPDGZNLNBF-MJOIQJIUSA-N -1 0 361.442 2.589 20 50 FFGDRM COc1ccc(C(=O)NN=Cc2ccoc2C(=O)[O-])cc1Br ZINC000737926369 978459150 /nfs/dbraw/zinc/45/91/50/978459150.db2.gz WFLYZFVHMIIPRG-UHFFFAOYSA-N -1 0 367.155 2.513 20 50 FFGDRM Cc1c(/C=C(/C#N)C(=O)OCc2ccc(F)cc2C(=O)[O-])cc(C#N)n1C ZINC000738288448 978511874 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FFGDRM CCOc1ccc(/C=C(/C#N)C(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC001597081212 986623560 /nfs/dbraw/zinc/62/35/60/986623560.db2.gz DKKYXJGPXNVZAA-ZROIWOOFSA-N -1 0 354.362 2.908 20 50 FFGDRM CCOc1ccc(/C=C(/C#N)C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001597081434 986624916 /nfs/dbraw/zinc/62/49/16/986624916.db2.gz KJCINRPSBUKVRV-FGLFUFNTSA-N -1 0 354.406 2.608 20 50 FFGDRM CCc1cccc(C)c1NC(=S)NNC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001597580946 988383194 /nfs/dbraw/zinc/38/31/94/988383194.db2.gz JHOBIKXPQGOEJC-BQYQJAHWSA-N -1 0 373.434 2.880 20 50 FFGDRM C[C@@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001599840403 988817051 /nfs/dbraw/zinc/81/70/51/988817051.db2.gz SJQXSNURJSSKBK-SECBINFHSA-N -1 0 362.317 2.819 20 50 FFGDRM CC(C)(C)c1ccc(C(=O)NNC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC001590481446 990072243 /nfs/dbraw/zinc/07/22/43/990072243.db2.gz CCKZHYCDZTVIRJ-DOMZBBRYSA-N -1 0 361.442 2.572 20 50 FFGDRM CC(C)(C)c1nsc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)n1 ZINC001590588882 990240147 /nfs/dbraw/zinc/24/01/47/990240147.db2.gz NOVKXXAHASYUJB-UHFFFAOYSA-N -1 0 353.379 2.822 20 50 FFGDRM COc1ccccc1[C@@H]1C[C@H]1NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001599719217 991507843 /nfs/dbraw/zinc/50/78/43/991507843.db2.gz XYEVYLNDPPIQLQ-SWLSCSKDSA-N -1 0 359.357 2.715 20 50 FFGDRM CC(C)CCC(=O)NNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001591214275 992070067 /nfs/dbraw/zinc/07/00/67/992070067.db2.gz XKISSUSSOTWZEN-UHFFFAOYSA-N -1 0 372.219 2.736 20 50 FFGDRM CC(C)CO[C@@H](C)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001591384632 992433962 /nfs/dbraw/zinc/43/39/62/992433962.db2.gz KFMRZOJQVKAUMH-VIFPVBQESA-N -1 0 359.220 2.652 20 50 FFGDRM CC(C)Cc1nnc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)s1 ZINC001591498250 992637720 /nfs/dbraw/zinc/63/77/20/992637720.db2.gz ZIABTORJIZEOPC-UHFFFAOYSA-N -1 0 353.379 2.723 20 50 FFGDRM CC(C)Cn1cc(C(=O)NNc2ccc(CC(=O)[O-])cc2)c(C(F)F)n1 ZINC001591520294 992686628 /nfs/dbraw/zinc/68/66/28/992686628.db2.gz NJVARYUQFBQIGN-UHFFFAOYSA-N -1 0 366.368 2.861 20 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C[C@@H](NC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(CCCl)cc2)C1 ZINC000825275019 604047334 /nfs/dbraw/zinc/04/73/34/604047334.db2.gz XENYAGOSZXDLKS-OCCSQVGLSA-N -1 0 374.890 2.525 20 50 FFGDRM CCC[C@@](C)(NC(=O)[O-])C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000826721774 604225848 /nfs/dbraw/zinc/22/58/48/604225848.db2.gz USHGFURQQQRXHR-CQSZACIVSA-N -1 0 358.320 2.847 20 50 FFGDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1 ZINC000832327109 604771407 /nfs/dbraw/zinc/77/14/07/604771407.db2.gz WJXADRJQPNRYRG-KOLCDFICSA-N -1 0 361.320 2.855 20 50 FFGDRM Cc1ccc(NCC(=O)NN=Cc2cccc3c2N(C(=O)[O-])CCC3)cc1 ZINC000830396013 604827532 /nfs/dbraw/zinc/82/75/32/604827532.db2.gz RKYQAIWGWPZIME-UHFFFAOYSA-N -1 0 366.421 2.988 20 50 FFGDRM O=C([O-])N1CCCc2cccc(C=NNC(=O)CNc3ccccc3F)c21 ZINC000831497696 604827543 /nfs/dbraw/zinc/82/75/43/604827543.db2.gz HVRIMZPITQDQEJ-UHFFFAOYSA-N -1 0 370.384 2.819 20 50 FFGDRM COC(=O)c1ccccc1CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833717090 605245939 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CC(C)c1ccccc1NC(=S)NNC(=O)c1cccc(C(=O)[O-])n1 ZINC000736522961 978340752 /nfs/dbraw/zinc/34/07/52/978340752.db2.gz KUCCZNYEVPEOEL-UHFFFAOYSA-N -1 0 358.423 2.535 20 50 FFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1C ZINC000737051232 978377313 /nfs/dbraw/zinc/37/73/13/978377313.db2.gz RVQZJZUZMWSDAC-BRVCPTFNSA-N -1 0 358.442 2.681 20 50 FFGDRM Cc1c(/C=C(/C#N)C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc(C#N)n1C ZINC000738289378 978512783 /nfs/dbraw/zinc/51/27/83/978512783.db2.gz PIDZOBOUVQQODP-SXGWCWSVSA-N -1 0 362.389 2.768 20 50 FFGDRM Cc1cc(C)c(NCC(=O)NN[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000738360001 978523570 /nfs/dbraw/zinc/52/35/70/978523570.db2.gz ZYCKBNNWVWCTRM-GOSISDBHSA-N -1 0 359.401 2.610 20 50 FFGDRM Cc1ccc(C(=O)[O-])cc1NC(=O)NNC(=O)CCCc1cccs1 ZINC000738536020 978553251 /nfs/dbraw/zinc/55/32/51/978553251.db2.gz YCANNGDNHZLKBI-UHFFFAOYSA-N -1 0 361.423 2.930 20 50 FFGDRM O=C([O-])Nc1ccc(C(=O)NNc2ccc(Br)nc2)cc1 ZINC000738659630 978583454 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ZINC000829142202 604316267 /nfs/dbraw/zinc/31/62/67/604316267.db2.gz NZHHEMWCDLOEQR-ZBEGNZNMSA-N -1 0 361.373 2.922 20 50 FFGDRM O=C([O-])NCC1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000832443101 604771744 /nfs/dbraw/zinc/77/17/44/604771744.db2.gz OMVLIQZLVRAIOZ-UHFFFAOYSA-N -1 0 361.320 2.856 20 50 FFGDRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833536325 604805456 /nfs/dbraw/zinc/80/54/56/604805456.db2.gz ATLDPBAIFHQWIC-GFCCVEGCSA-N -1 0 357.410 2.988 20 50 FFGDRM CC(C)CCOc1ccc(C(=O)NN[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000826860905 604987473 /nfs/dbraw/zinc/98/74/73/604987473.db2.gz IXBRYGONSBYRDS-QGZVFWFLSA-N -1 0 357.410 2.567 20 50 FFGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1cc2ccccc2cc1O ZINC000833406589 605038179 /nfs/dbraw/zinc/03/81/79/605038179.db2.gz NZTNQXAORJDYFA-GFCCVEGCSA-N -1 0 351.362 2.756 20 50 FFGDRM CNc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000833701164 605245933 /nfs/dbraw/zinc/24/59/33/605245933.db2.gz 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C[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000833792128 605715468 /nfs/dbraw/zinc/71/54/68/605715468.db2.gz ZQNGEIAXNIOGKK-NHYWBVRUSA-N -1 0 358.354 2.683 20 50 FFGDRM O=C([O-])N[C@@H](C(=O)NNc1ccccc1Br)c1ccccc1 ZINC000834252100 605718172 /nfs/dbraw/zinc/71/81/72/605718172.db2.gz YQRJXPPXXWZSFV-CYBMUJFWSA-N -1 0 364.199 2.901 20 50 FFGDRM N#Cc1ccc(NNC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)cc1 ZINC000833975700 605719095 /nfs/dbraw/zinc/71/90/95/605719095.db2.gz OYZCJUKKYXIIFF-UHFFFAOYSA-N -1 0 364.405 2.713 20 50 FFGDRM O=C([O-])NCc1ccc(C(=O)NNc2ccc(Br)cc2F)o1 ZINC000834248240 605721077 /nfs/dbraw/zinc/72/10/77/605721077.db2.gz CDGXBJANPSZYED-UHFFFAOYSA-N -1 0 372.150 2.706 20 50 FFGDRM CC(=O)CCc1ccc(O[C@@H](C)C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC000833387966 605721315 /nfs/dbraw/zinc/72/13/15/605721315.db2.gz FOYMELRVVVVAQB-AWEZNQCLSA-N -1 0 370.405 2.817 20 50 FFGDRM O=C([O-])N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)c1ccc(Cl)nc1 ZINC000834045171 605722775 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CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)c2cccc(Cl)c2F)o1 ZINC000820201918 945371611 /nfs/dbraw/zinc/37/16/11/945371611.db2.gz CFCMGAGNUVXHDQ-UHFFFAOYSA-N -1 0 365.756 2.528 20 50 FFGDRM C[C@@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])c1cccc(Br)c1 ZINC001602793048 971553215 /nfs/dbraw/zinc/55/32/15/971553215.db2.gz NVZHCSJSCPHLDW-SECBINFHSA-N -1 0 364.199 2.789 20 50 FFGDRM CC[C@H]1CCc2nc(NC(=O)NNc3ncccc3C(=O)[O-])sc2C1 ZINC001589624895 949463895 /nfs/dbraw/zinc/46/38/95/949463895.db2.gz ONDLSEZXMZGLLP-VIFPVBQESA-N -1 0 361.427 2.900 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1c(Cl)cccc1Br ZINC001595261994 949676911 /nfs/dbraw/zinc/67/69/11/949676911.db2.gz NVSGLNCGZWZTNA-UHFFFAOYSA-N -1 0 370.590 2.953 20 50 FFGDRM O=C([O-])CC[C@H]1C[C@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)CO1 ZINC001595006527 951206739 /nfs/dbraw/zinc/20/67/39/951206739.db2.gz SGVYGPHQKZWXNW-WPRPVWTQSA-N -1 0 364.295 2.558 20 50 FFGDRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)CO1 ZINC001595006524 951207053 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O=C([O-])c1ccc(CNC(=O)NNC(=O)c2ccc3ccccc3c2)cc1 ZINC000819195086 955439330 /nfs/dbraw/zinc/43/93/30/955439330.db2.gz ZOYHKZPSCPORRD-UHFFFAOYSA-N -1 0 363.373 2.682 20 50 FFGDRM CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000819932702 955463020 /nfs/dbraw/zinc/46/30/20/955463020.db2.gz WUMYHFMVYYKGKS-UHFFFAOYSA-N -1 0 355.394 2.764 20 50 FFGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N(CC(=O)[O-])CC2CC2)c1C ZINC001593956150 956426420 /nfs/dbraw/zinc/42/64/20/956426420.db2.gz KYMASGAPFWGOJX-GHIJENOOSA-N -1 0 373.453 2.543 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)CSc1nc2ccccc2s1 ZINC001594702969 956823142 /nfs/dbraw/zinc/82/31/42/956823142.db2.gz UNCBJDNDNVPQIP-UHFFFAOYSA-N -1 0 360.420 2.625 20 50 FFGDRM Cc1cc(CC(=O)NNc2ncccc2C(=O)[O-])c(C)n1-c1ccccc1 ZINC001594300210 957897026 /nfs/dbraw/zinc/89/70/26/957897026.db2.gz DJZVEZWPLFRPKW-UHFFFAOYSA-N -1 0 364.405 2.873 20 50 FFGDRM COc1ccc(Br)c(NNC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC001594075235 958215410 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CC(C)(C)[C@H](C(=O)[O-])C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl ZINC001588633935 959632356 /nfs/dbraw/zinc/63/23/56/959632356.db2.gz FRILAGYTZPQBPN-JTQLQIEISA-N -1 0 362.213 2.893 20 50 FFGDRM Cc1oc(CNC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)cc1C(=O)[O-] ZINC001319846131 960959190 /nfs/dbraw/zinc/95/91/90/960959190.db2.gz QCGSCEKNTFXFDU-ONENECBXSA-N -1 0 356.216 2.856 20 50 FFGDRM O=C([O-])[C@@H](C(=O)NNc1ccc(Br)c(F)c1)C1CCCC1 ZINC001574617737 962236503 /nfs/dbraw/zinc/23/65/03/962236503.db2.gz VBYCMLUBEBDNJC-GFCCVEGCSA-N -1 0 359.195 2.922 20 50 FFGDRM N#C/C(=C\c1ccc(C(=O)[O-])cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000011296435 967494575 /nfs/dbraw/zinc/49/45/75/967494575.db2.gz KPEIMCNUOOLQMK-GXDHUFHOSA-N -1 0 358.361 2.960 20 50 FFGDRM O=C([O-])COc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1 ZINC001606285292 973680022 /nfs/dbraw/zinc/68/00/22/973680022.db2.gz YAESKADCTJGMRU-UHFFFAOYSA-N -1 0 354.284 2.926 20 50 FFGDRM O=C([O-])c1ccccc1CC(=O)NNC(=O)c1ccc(Cl)cc1Cl ZINC001605716029 974149845 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FFGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)c3cnn(-c4ccccc4)c3)c2c1 ZINC000740190708 978672130 /nfs/dbraw/zinc/67/21/30/978672130.db2.gz OTXGRBCIUVNQNR-UHFFFAOYSA-N -1 0 373.372 2.816 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2ccc(NC(=O)C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000740308501 978675450 /nfs/dbraw/zinc/67/54/50/978675450.db2.gz UUNOMIFEPMXGIH-UHFFFAOYSA-N -1 0 370.317 2.861 20 50 FFGDRM C[C@@H](Oc1ccc(C=NNC(=O)c2c[nH]c3ccccc32)cc1)C(=O)[O-] ZINC000794858608 978823243 /nfs/dbraw/zinc/82/32/43/978823243.db2.gz PDTPBKJGVZIZRV-GFCCVEGCSA-N -1 0 351.362 2.784 20 50 FFGDRM C[C@H](Oc1ccc(C=NNC(=O)Nc2ccc(N(C)C)cc2)cc1)C(=O)[O-] ZINC000794911564 978828224 /nfs/dbraw/zinc/82/82/24/978828224.db2.gz IVYAUKIKFLRKFT-ZDUSSCGKSA-N -1 0 370.409 2.760 20 50 FFGDRM C[C@H]1C(=NNC(=O)c2cc(Br)ccc2O)CC[C@@H]1CC(=O)[O-] ZINC000814857659 978894016 /nfs/dbraw/zinc/89/40/16/978894016.db2.gz RAKGFNFKIQJVTA-RKDXNWHRSA-N -1 0 369.215 2.761 20 50 FFGDRM CC(=NNC(=O)c1cc(Br)c[nH]1)c1ccc(C(=O)[O-])cc1 ZINC000825804566 978941844 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CCOC(=O)c1ccc(NNC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1C ZINC001596724786 984979165 /nfs/dbraw/zinc/97/91/65/984979165.db2.gz VPEJLBGIOHSLEO-TWGQIWQCSA-N -1 0 358.350 2.619 20 50 FFGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNc1cccc(F)c1Br ZINC001599957313 985710665 /nfs/dbraw/zinc/71/06/65/985710665.db2.gz OEDNNXVSOGTZKB-UHFFFAOYSA-N -1 0 370.178 2.988 20 50 FFGDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NN=c1[nH]c2ccncc2s1 ZINC001597020735 986404643 /nfs/dbraw/zinc/40/46/43/986404643.db2.gz OQBLJTNDGKAUHT-UHFFFAOYSA-N -1 0 373.394 2.937 20 50 FFGDRM CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)[O-])c2N)cc1 ZINC001597081589 986626285 /nfs/dbraw/zinc/62/62/85/986626285.db2.gz LUWGGGLWVRUXNV-RAXLEYEMSA-N -1 0 351.362 2.911 20 50 FFGDRM CCOc1ccc2c(c1)[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)CCO2 ZINC001597142893 986894123 /nfs/dbraw/zinc/89/41/23/986894123.db2.gz OUJSQAAJDLJZQV-MRXNPFEDSA-N -1 0 371.393 2.933 20 50 FFGDRM CSc1ccc(NC(=O)NNC(=O)CCc2ccccc2)cc1C(=O)[O-] ZINC001599818877 988476916 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2.619 20 50 FFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1C ZINC000737051234 978377214 /nfs/dbraw/zinc/37/72/14/978377214.db2.gz RVQZJZUZMWSDAC-LPPOOGIUSA-N -1 0 358.442 2.681 20 50 FFGDRM CCOC(=O)C(C#N)=CNc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000737128808 978380530 /nfs/dbraw/zinc/38/05/30/978380530.db2.gz AVUILBMVLPQZHO-JXMROGBWSA-N -1 0 358.272 2.708 20 50 FFGDRM Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](C)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000738378293 978528430 /nfs/dbraw/zinc/52/84/30/978528430.db2.gz DMHHXWWKYKTATG-GFQQVXNGSA-N -1 0 369.396 2.977 20 50 FFGDRM Cc1ccc(NC(=S)NNC(=O)CCc2ccc(C(=O)[O-])cc2)cc1C ZINC000738627567 978576197 /nfs/dbraw/zinc/57/61/97/978576197.db2.gz HPJASVFBVYGEJX-UHFFFAOYSA-N -1 0 371.462 2.952 20 50 FFGDRM Cc1nc2ccccc2n1CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738877571 978606534 /nfs/dbraw/zinc/60/65/34/978606534.db2.gz UCYPRQJJOXDOMM-UHFFFAOYSA-N -1 0 355.306 2.557 20 50 FFGDRM Cc1nn(C)c2sc(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc12 ZINC000738919899 978608719 /nfs/dbraw/zinc/60/87/19/978608719.db2.gz QOPSSDCGQGQINR-UHFFFAOYSA-N -1 0 361.335 2.769 20 50 FFGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738923518 978609585 /nfs/dbraw/zinc/60/95/85/978609585.db2.gz XCCTXRDQVVLUBV-UHFFFAOYSA-N -1 0 350.806 2.759 20 50 FFGDRM N#Cc1ccc([C@@H](NNC(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000739105494 978617538 /nfs/dbraw/zinc/61/75/38/978617538.db2.gz HLACJJXSFQDLNJ-CQSZACIVSA-N -1 0 364.188 2.925 20 50 FFGDRM O=C([O-])c1ccc(CCC(=O)NNc2ncccc2C(F)(F)F)cc1 ZINC000739255540 978624128 /nfs/dbraw/zinc/62/41/28/978624128.db2.gz ABWPUEDXQJOCBR-UHFFFAOYSA-N -1 0 353.300 2.875 20 50 FFGDRM O=C([O-])c1cc(OC(=O)Cc2cnn(-c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000739351490 978632034 /nfs/dbraw/zinc/63/20/34/978632034.db2.gz MFABAMXQSKPRHT-UHFFFAOYSA-N -1 0 367.317 2.627 20 50 FFGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)Cn3ccc4ccccc43)c2c1 ZINC000739356318 978632528 /nfs/dbraw/zinc/63/25/28/978632528.db2.gz HEUVJGXEBZYOBR-UHFFFAOYSA-N -1 0 360.373 2.971 20 50 FFGDRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)NNC(=O)C1CCC1 ZINC000739453213 978636721 /nfs/dbraw/zinc/63/67/21/978636721.db2.gz DGOUMOPMWYHLEG-UHFFFAOYSA-N -1 0 374.418 2.831 20 50 FFGDRM Cc1cc(C)cc(OCC(=O)NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794868156 978823811 /nfs/dbraw/zinc/82/38/11/978823811.db2.gz HHDCKBUKFOWUSU-HNNXBMFYSA-N -1 0 370.405 2.684 20 50 FFGDRM O=C([O-])c1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c[nH]1 ZINC000814688212 978872489 /nfs/dbraw/zinc/87/24/89/978872489.db2.gz ORGTYFRNIFCMPM-UHFFFAOYSA-N -1 0 356.165 2.549 20 50 FFGDRM CCOc1ccc(O[C@H](C)C(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1 ZINC000814747679 978879497 /nfs/dbraw/zinc/87/94/97/978879497.db2.gz RDIGTEFJVOEQPO-MCIONIFRSA-N -1 0 362.426 2.846 20 50 FFGDRM C[C@@H](NC(=O)C1CCCCC1)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001593006875 980223375 /nfs/dbraw/zinc/22/33/75/980223375.db2.gz GHKCTLPVAIHOBS-SNVBAGLBSA-N -1 0 367.833 2.566 20 50 FFGDRM CC[C@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1c(C)noc1C ZINC001595253222 980228443 /nfs/dbraw/zinc/22/84/43/980228443.db2.gz WLMNRYLRPYMZEZ-ZDUSSCGKSA-N -1 0 350.350 2.906 20 50 FFGDRM CC[C@@H](Nc1cccnc1Cl)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595322614 980514673 /nfs/dbraw/zinc/51/46/73/980514673.db2.gz FIAYVCGHRXSDCW-SNVBAGLBSA-N -1 0 366.780 2.906 20 50 FFGDRM CCC[C@@H](OCC)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595615919 981639485 /nfs/dbraw/zinc/63/94/85/981639485.db2.gz VCHBGKUIZKZSMA-GFCCVEGCSA-N -1 0 359.220 2.796 20 50 FFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC000911618033 982556007 /nfs/dbraw/zinc/55/60/07/982556007.db2.gz JKLGETUXIWCIHG-DOMZBBRYSA-N -1 0 357.248 2.697 20 50 FFGDRM CCCOc1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2F)cn1 ZINC001595956566 983145495 /nfs/dbraw/zinc/14/54/95/983145495.db2.gz LIAWLIPUDJVVPW-UHFFFAOYSA-N -1 0 362.361 2.534 20 50 FFGDRM CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001596158873 983522312 /nfs/dbraw/zinc/52/23/12/983522312.db2.gz VDTCSOLAGHNNLT-JTQLQIEISA-N -1 0 369.393 2.613 20 50 FFGDRM C#CCOc1ccc(F)cc1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001588498169 983543873 /nfs/dbraw/zinc/54/38/73/983543873.db2.gz ZAKQLEUBCJRQTL-UHFFFAOYSA-N -1 0 357.341 2.613 20 50 FFGDRM C=CC[C@H](OC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)C(=O)[O-] ZINC001588751595 984077881 /nfs/dbraw/zinc/07/78/81/984077881.db2.gz ONPPEZPMOYSGPA-NCNAPHLGSA-N -1 0 372.421 2.763 20 50 FFGDRM CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C(=O)[O-])co2)cc1 ZINC001596723719 984971492 /nfs/dbraw/zinc/97/14/92/984971492.db2.gz NNPPACDTRZAGKZ-GHXNOFRVSA-N -1 0 354.318 2.700 20 50 FFGDRM CCOC(=O)c1ccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC001596724329 984975967 /nfs/dbraw/zinc/97/59/67/984975967.db2.gz DHVJTOQXPLAAAQ-UHFFFAOYSA-N -1 0 357.366 2.639 20 50 FFGDRM CC(=O)N1Cc2ccc(NC(=O)NNc3ccc(F)c(C(=O)[O-])c3)cc2C1 ZINC001589097662 985295930 /nfs/dbraw/zinc/29/59/30/985295930.db2.gz MZECRCJUDMIGBC-UHFFFAOYSA-N -1 0 372.356 2.535 20 50 FFGDRM Cc1nc(-c2ccccc2)[nH]c1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599941527 985460788 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CCc1nc([C@@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2F)cs1 ZINC001597657181 988715722 /nfs/dbraw/zinc/71/57/22/988715722.db2.gz YNIRGIIPOFYOPA-MRVPVSSYSA-N -1 0 352.391 2.930 20 50 FFGDRM CN(C)N(C(=O)CC[C@H]1CC1(Cl)Cl)c1nc(CC(=O)[O-])cs1 ZINC001598255319 991057822 /nfs/dbraw/zinc/05/78/22/991057822.db2.gz CXVCWWGVNRFZFZ-QMMMGPOBSA-N -1 0 366.270 2.554 20 50 FFGDRM CN(C)N(C(=O)CC(C)(C)CC(F)(F)F)c1nc(CC(=O)[O-])cs1 ZINC001598256854 991068208 /nfs/dbraw/zinc/06/82/08/991068208.db2.gz WQZOUNVBHCHODL-UHFFFAOYSA-N -1 0 367.393 2.949 20 50 FFGDRM COc1ccccc1[C@@H]1C[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599718963 991504262 /nfs/dbraw/zinc/50/42/62/991504262.db2.gz MQVIPOAZYKWOHQ-GXTWGEPZSA-N -1 0 359.357 2.715 20 50 FFGDRM CC(C)CCc1nnc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)s1 ZINC001591270554 992190074 /nfs/dbraw/zinc/19/00/74/992190074.db2.gz VIOQHEXMBKOZBO-UHFFFAOYSA-N -1 0 363.443 2.902 20 50 FFGDRM CC(C)N(CC(=O)NNc1cccc(F)c1C(=O)[O-])C(=O)OC(C)(C)C ZINC001591561259 992763459 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FFGDRM C[C@]1(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C[C@H]1Br ZINC001593748064 996376869 /nfs/dbraw/zinc/37/68/69/996376869.db2.gz CBPBQXXAWBQTAL-DOMZBBRYSA-N -1 0 356.191 2.582 20 50 FFGDRM COc1ccc(C(=O)NNc2ccc(CC(=O)[O-])cc2)c(OC(F)F)c1 ZINC001599484505 996823955 /nfs/dbraw/zinc/82/39/55/996823955.db2.gz XDBKDYVHUVLRJG-UHFFFAOYSA-N -1 0 366.320 2.681 20 50 FFGDRM C[C@@]1(CNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)CCOC2(CCC2)C1 ZINC001594020629 997530908 /nfs/dbraw/zinc/53/09/08/997530908.db2.gz UUXZWDRVDRKDFB-QGZVFWFLSA-N -1 0 365.405 2.889 20 50 FFGDRM COc1cc(F)c(F)cc1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599426240 997681246 /nfs/dbraw/zinc/68/12/46/997681246.db2.gz UDRNTKGEFABWGM-UHFFFAOYSA-N -1 0 351.309 2.749 20 50 FFGDRM COC(=O)c1cc(C)cc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001598927813 997682477 /nfs/dbraw/zinc/68/24/77/997682477.db2.gz QYSBYUWGZPZGLD-UHFFFAOYSA-N -1 0 361.329 2.768 20 50 FFGDRM COc1cc(OC2CC2)ccc1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599454872 998170836 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356.220 2.781 20 50 FFGDRM COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000829226286 604328005 /nfs/dbraw/zinc/32/80/05/604328005.db2.gz XYTMIWJBMCVGTD-RYUDHWBXSA-N -1 0 366.370 2.925 20 50 FFGDRM O=C([O-])c1ccc(=NNC(=O)COc2cc(Cl)cc(Cl)c2)[nH]c1 ZINC000833764668 604806022 /nfs/dbraw/zinc/80/60/22/604806022.db2.gz ODACWMZEEPREFG-UHFFFAOYSA-N -1 0 356.165 2.609 20 50 FFGDRM CC(C)C(=O)NNC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000833466668 605227880 /nfs/dbraw/zinc/22/78/80/605227880.db2.gz FRCBRSMJFRWRHF-UHFFFAOYSA-N -1 0 371.393 2.773 20 50 FFGDRM C=CCc1cc(C(=O)NNc2ccccc2C(=O)[O-])cc(OC)c1OC ZINC000833378399 605259910 /nfs/dbraw/zinc/25/99/10/605259910.db2.gz MYFJCCRNRLIFHZ-UHFFFAOYSA-N -1 0 356.378 2.887 20 50 FFGDRM O=C([O-])NCc1ccc(C(=O)NNc2ccccc2Br)cc1 ZINC000834249648 605718259 /nfs/dbraw/zinc/71/82/59/605718259.db2.gz ZHSYVNQNGOSQOC-UHFFFAOYSA-N -1 0 364.199 2.974 20 50 FFGDRM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833392654 605733721 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20 50 FFGDRM O=C([O-])CCCCNC(=O)NNC(=O)c1cc2c(s1)CCCCCC2 ZINC000821518927 955510866 /nfs/dbraw/zinc/51/08/66/955510866.db2.gz RZICGCCGLHGAGT-UHFFFAOYSA-N -1 0 367.471 2.606 20 50 FFGDRM C[C@](CNC(=O)/C(C#N)=C\c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001589039354 955581094 /nfs/dbraw/zinc/58/10/94/955581094.db2.gz BLTBKQWPYTYANF-UMDONVSZSA-N -1 0 352.365 2.891 20 50 FFGDRM Cc1ccc(Br)c(C(=O)NN=c2[nH]cccc2C(=O)[O-])c1 ZINC001594341837 958295928 /nfs/dbraw/zinc/29/59/28/958295928.db2.gz HDTIEQXDJWUGJV-UHFFFAOYSA-N -1 0 350.172 2.608 20 50 FFGDRM CC(C)N(C)c1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1F ZINC001573543454 959193254 /nfs/dbraw/zinc/19/32/54/959193254.db2.gz FGKRKYMVGZFAAX-UHFFFAOYSA-N -1 0 361.377 2.912 20 50 FFGDRM Cc1cc(NC(=O)NNc2ccc3c(cc[nH]c3=O)c2)ccc1C(=O)[O-] ZINC001574338158 960921235 /nfs/dbraw/zinc/92/12/35/960921235.db2.gz CMZLNXFKGINMEC-UHFFFAOYSA-N -1 0 352.350 2.683 20 50 FFGDRM Cc1ccc(CC(=O)NN=c2[nH]cccc2C(=O)[O-])c(Br)c1 ZINC001574361602 961032369 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O=C([O-])[C@@H](CC(F)(F)F)NS(=O)(=O)c1ccc(CCCCl)cc1 ZINC000275161000 970315612 /nfs/dbraw/zinc/31/56/12/970315612.db2.gz ALQVVSIVRPRMCL-LLVKDONJSA-N -1 0 373.780 2.542 20 50 FFGDRM Cc1c(C(=O)NNc2ncccc2C(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC001605076571 972705036 /nfs/dbraw/zinc/70/50/36/972705036.db2.gz IYXUOHFXPLUMIX-UHFFFAOYSA-N -1 0 371.784 2.684 20 50 FFGDRM Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)CCCCC(=O)[O-] ZINC001605172811 972880318 /nfs/dbraw/zinc/88/03/18/972880318.db2.gz IEFOREOVLWNDKX-LBPRGKRZSA-N -1 0 370.833 2.517 20 50 FFGDRM Cc1cc(NNC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)ccc1Cl ZINC001605213486 972957606 /nfs/dbraw/zinc/95/76/06/972957606.db2.gz OFDBLYJLFQVSFO-UHFFFAOYSA-N -1 0 351.794 2.813 20 50 FFGDRM Cc1ccc(NC(=O)NNC(=O)c2coc(/C=C\C(=O)[O-])c2)c(Cl)c1 ZINC001605294187 973104762 /nfs/dbraw/zinc/10/47/62/973104762.db2.gz PRZHCRTVYOVGRV-HYXAFXHYSA-N -1 0 363.757 2.806 20 50 FFGDRM CC(C)c1nc(C#N)c(NNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])o1 ZINC001592008713 976680156 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FFGDRM CN(C)c1ccc(CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737376936 978401651 /nfs/dbraw/zinc/40/16/51/978401651.db2.gz GXQJLWWGGXHGEK-UHFFFAOYSA-N -1 0 358.350 2.897 20 50 FFGDRM COC(=O)c1cc(OC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000737666236 978428293 /nfs/dbraw/zinc/42/82/93/978428293.db2.gz RZDRHJKMJBQXSB-UHFFFAOYSA-N -1 0 373.317 2.618 20 50 FFGDRM COc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc2c1O[C@@H](C)C2 ZINC000737864702 978451522 /nfs/dbraw/zinc/45/15/22/978451522.db2.gz ULVXTFNMLMUZCX-VIFPVBQESA-N -1 0 373.317 2.844 20 50 FFGDRM O=C([O-])c1cc(OC(=O)COc2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] ZINC000739328538 978629084 /nfs/dbraw/zinc/62/90/84/978629084.db2.gz KKMIFIMFNWOBNA-UHFFFAOYSA-N -1 0 357.318 2.766 20 50 FFGDRM O=C([O-])[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1ccccc1 ZINC000776646790 978766314 /nfs/dbraw/zinc/76/63/14/978766314.db2.gz OZGYTYKQXYCWDX-HVOFVXBASA-N -1 0 366.255 2.925 20 50 FFGDRM O=C([O-])CN(C1CCCC1)S(=O)(=O)c1ccc(CCCCl)cc1 ZINC000776660858 978767101 /nfs/dbraw/zinc/76/71/01/978767101.db2.gz NJWOOQDGEAPFCE-UHFFFAOYSA-N -1 0 359.875 2.876 20 50 FFGDRM C[C@H]1C(=NNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC[C@@H]1CC(=O)[O-] ZINC000814876981 978895271 /nfs/dbraw/zinc/89/52/71/978895271.db2.gz HHDLSUCRPCBVRI-ZYHUDNBSSA-N -1 0 358.373 2.822 20 50 FFGDRM C[C@H](CNC(=O)NNc1ccc(C(=O)[O-])cc1F)Oc1ccc(F)cc1 ZINC001592676116 979094336 /nfs/dbraw/zinc/09/43/36/979094336.db2.gz MGXAMALDZCEBCC-SNVBAGLBSA-N -1 0 365.336 2.757 20 50 FFGDRM CC[C@H](Oc1ccccc1F)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001595357902 980727061 /nfs/dbraw/zinc/72/70/61/980727061.db2.gz TVOZEJBFAFHYFD-AWEZNQCLSA-N -1 0 350.321 2.964 20 50 FFGDRM CCCCC[C@H](O)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595689609 982187402 /nfs/dbraw/zinc/18/74/02/982187402.db2.gz DNZPRAYFBNKGRP-LBPRGKRZSA-N -1 0 359.220 2.532 20 50 FFGDRM CCCCc1ccc(NC(=S)NNC(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC001595796516 982602729 /nfs/dbraw/zinc/60/27/29/982602729.db2.gz NEQWJQZRDNYXLJ-UHFFFAOYSA-N -1 0 372.450 2.754 20 50 FFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(CC(=O)[O-])CCOCC2)c1C ZINC001596108148 983433398 /nfs/dbraw/zinc/43/33/98/983433398.db2.gz QIKZQSJWLKOXOZ-BOPFTXTBSA-N -1 0 373.453 2.562 20 50 FFGDRM CCOC(=O)Oc1ccc(C(=O)NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC001596672128 984747450 /nfs/dbraw/zinc/74/74/50/984747450.db2.gz UVBSEQKGJAVSSC-UHFFFAOYSA-N -1 0 358.350 2.606 20 50 FFGDRM C[C@H]1CN(C(=O)[C@]2(c3ccccc3)C[C@H]2Br)C[C@]1(C)C(=O)[O-] ZINC001599915485 985049947 /nfs/dbraw/zinc/04/99/47/985049947.db2.gz ZWPRYICCRKAVLX-LPOXYFBYSA-N -1 0 366.255 2.661 20 50 FFGDRM CC(=O)Nc1cc(Cl)c(NC(=O)NNc2ccccn2)cc1C(=O)[O-] ZINC001589174088 985543201 /nfs/dbraw/zinc/54/32/01/985543201.db2.gz SACAZTPVKHSMLC-UHFFFAOYSA-N -1 0 363.761 2.540 20 50 FFGDRM CC(=O)Nc1ccc(C(=O)NNc2ccc(CC(=O)[O-])cc2)cc1Cl ZINC001589186490 985574062 /nfs/dbraw/zinc/57/40/62/985574062.db2.gz SMBNPWJZQCQFSW-UHFFFAOYSA-N -1 0 361.785 2.682 20 50 FFGDRM CC(=O)Nc1cccc([C@H](C)NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001589206470 985678816 /nfs/dbraw/zinc/67/88/16/985678816.db2.gz ZWOOYZDXWCUKBX-JTQLQIEISA-N -1 0 374.372 2.870 20 50 FFGDRM CCOc1cc(C(=O)NNc2c(C)cccc2F)ccc1OCC(=O)[O-] ZINC001597005806 986331905 /nfs/dbraw/zinc/33/19/05/986331905.db2.gz IBLWXQUBHYFYLX-UHFFFAOYSA-N -1 0 362.357 2.753 20 50 FFGDRM CC(C)(C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC001589575110 987352728 /nfs/dbraw/zinc/35/27/28/987352728.db2.gz ZCTSXOUETFNEIX-UHFFFAOYSA-N -1 0 370.405 2.506 20 50 FFGDRM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001589738288 988001423 /nfs/dbraw/zinc/00/14/23/988001423.db2.gz KQUBXDNXQUHQPL-IAQYHMDHSA-N -1 0 367.421 2.991 20 50 FFGDRM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001589738289 988001642 /nfs/dbraw/zinc/00/16/42/988001642.db2.gz KQUBXDNXQUHQPL-NHYWBVRUSA-N -1 0 367.421 2.991 20 50 FFGDRM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001589738875 988008005 /nfs/dbraw/zinc/00/80/05/988008005.db2.gz YJFMFDSQZFUWOY-ABAIWWIYSA-N -1 0 367.421 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C[C@H](CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)NC(=O)C1CCCC1 ZINC001592252579 977482213 /nfs/dbraw/zinc/48/22/13/977482213.db2.gz NCYLLRODIGWGEO-SNVBAGLBSA-N -1 0 367.833 2.566 20 50 FFGDRM C[C@@H](CCC(=O)NNc1cccc(C(=O)[O-])c1)NC(=O)OC(C)(C)C ZINC001592471839 978234702 /nfs/dbraw/zinc/23/47/02/978234702.db2.gz WFSKUDQVSXESDD-NSHDSACASA-N -1 0 351.403 2.521 20 50 FFGDRM CC(C)c1ccccc1NC(=S)NNC(=O)c1ccc(C(=O)[O-])nc1 ZINC000736523452 978341095 /nfs/dbraw/zinc/34/10/95/978341095.db2.gz QMPMXTAXIWKMMW-UHFFFAOYSA-N -1 0 358.423 2.535 20 50 FFGDRM COc1ccc(/C=C(\C#N)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737987472 978464290 /nfs/dbraw/zinc/46/42/90/978464290.db2.gz UAADKULOCUDBGC-BXBHGGAKSA-N -1 0 362.341 2.843 20 50 FFGDRM Cc1c(/C=C(\C#N)C(=O)OCc2ccc(F)cc2C(=O)[O-])cc(C#N)n1C ZINC000738288438 978511798 /nfs/dbraw/zinc/51/17/98/978511798.db2.gz DNIULQNSQOMJCT-LHHJGKSTSA-N -1 0 367.336 2.693 20 50 FFGDRM Cc1cc(C)cc(OCC(=O)NN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738363244 978524574 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CC(C)(CCNC(=O)[C@]1(c2ccccc2)C[C@H]1Br)C(=O)[O-] ZINC001590670391 990370215 /nfs/dbraw/zinc/37/02/15/990370215.db2.gz RGLYXWHIHTVVMW-WBMJQRKESA-N -1 0 354.244 2.709 20 50 FFGDRM CS[C@@H](C(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C)c1ccccc1 ZINC001599779511 992347051 /nfs/dbraw/zinc/34/70/51/992347051.db2.gz AJKMIEHEYRJZJF-CQSZACIVSA-N -1 0 365.480 2.684 20 50 FFGDRM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccc2[nH]c(=O)oc2c1 ZINC001593101544 993736260 /nfs/dbraw/zinc/73/62/60/993736260.db2.gz GMMXBPSZTPMPHZ-QMMMGPOBSA-N -1 0 374.328 2.758 20 50 FFGDRM C[C@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001593102080 993740406 /nfs/dbraw/zinc/74/04/06/993740406.db2.gz OSHYCRWLQTUYHM-QMMMGPOBSA-N -1 0 374.328 2.758 20 50 FFGDRM COc1ccc2cccc(CC(=O)NN=c3ccc(C(=O)[O-])c[nH]3)c2c1 ZINC001599635670 994284499 /nfs/dbraw/zinc/28/44/99/994284499.db2.gz CKUZFQMHJUADLW-UHFFFAOYSA-N -1 0 351.362 2.627 20 50 FFGDRM C[C@@H](OCc1ccc(F)cc1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001593608466 995795635 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CCC1(CC)[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2F)C[C@@H]1OC ZINC001595373030 980868550 /nfs/dbraw/zinc/86/85/50/980868550.db2.gz BEBWFHXTSJEUGZ-STQMWFEESA-N -1 0 353.394 2.744 20 50 FFGDRM CCC1(CC)[C@H](NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)[C@@H](C)[C@H]1OC ZINC001595374200 980881504 /nfs/dbraw/zinc/88/15/04/980881504.db2.gz WMRYSUNERAGJJB-VCTAVGKDSA-N -1 0 367.421 2.990 20 50 FFGDRM CCCCc1ccc(NC(=S)NNC(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC001595797153 982605186 /nfs/dbraw/zinc/60/51/86/982605186.db2.gz VAXFPYXCEQKDJE-GFCCVEGCSA-N -1 0 351.472 2.848 20 50 FFGDRM CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001596157913 983519859 /nfs/dbraw/zinc/51/98/59/983519859.db2.gz ICWCOTAYXXXPCT-GFCCVEGCSA-N -1 0 365.430 2.782 20 50 FFGDRM C#CCOc1ccc(F)cc1NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001588498104 983543435 /nfs/dbraw/zinc/54/34/35/983543435.db2.gz WKOFAYVCOMJRHL-UHFFFAOYSA-N -1 0 361.304 2.824 20 50 FFGDRM C=CC(C)(C)CNC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001588676853 983831306 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ZINC000831517175 605406395 /nfs/dbraw/zinc/40/63/95/605406395.db2.gz PMLLYMRFGJWTIO-SECBINFHSA-N -1 0 362.213 2.596 20 50 FFGDRM C[C@@H](C(=O)NN=c1[nH]c2ccccc2[nH]1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833789123 605506468 /nfs/dbraw/zinc/50/64/68/605506468.db2.gz GPDUAOLKQXFTNB-IAQYHMDHSA-N -1 0 353.382 2.651 20 50 FFGDRM COc1cccc2[nH]cc(CC(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c21 ZINC000833736129 605508372 /nfs/dbraw/zinc/50/83/72/605508372.db2.gz XOQNQLNPOJHPGN-UHFFFAOYSA-N -1 0 370.317 2.931 20 50 FFGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000833385233 605587036 /nfs/dbraw/zinc/58/70/36/605587036.db2.gz UAKWYYRPTMUGOH-UHFFFAOYSA-N -1 0 359.357 2.513 20 50 FFGDRM CNC(=O)c1ccc(Cl)c(NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833700535 605709706 /nfs/dbraw/zinc/70/97/06/605709706.db2.gz LOOUETBXTMLPRT-UHFFFAOYSA-N -1 0 362.773 2.546 20 50 FFGDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833472044 605721161 /nfs/dbraw/zinc/72/11/61/605721161.db2.gz RDKFMXACNCSYCB-QGZVFWFLSA-N -1 0 353.378 2.803 20 50 FFGDRM COc1cc2cc(C(=O)NNc3ccccc3C(=O)[O-])[nH]c2cc1OC ZINC000833730374 605722687 /nfs/dbraw/zinc/72/26/87/605722687.db2.gz VYCBVGNDZCEIQO-UHFFFAOYSA-N -1 0 355.350 2.640 20 50 FFGDRM O=C([O-])c1ccccc1NNC(=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000833783695 605724739 /nfs/dbraw/zinc/72/47/39/605724739.db2.gz DHMYGIBWFCCNAJ-SFHVURJKSA-N -1 0 370.405 2.765 20 50 FFGDRM CC(C)c1n[nH]c(C(=O)NNc2cccc(C(=O)[O-])c2)c1Br ZINC000833511464 605734856 /nfs/dbraw/zinc/73/48/56/605734856.db2.gz UFZOSCLODYFWNX-UHFFFAOYSA-N -1 0 367.203 2.751 20 50 FFGDRM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833602809 605735168 /nfs/dbraw/zinc/73/51/68/605735168.db2.gz CDOOPKOESDCEIR-BZNIZROVSA-N -1 0 353.378 2.736 20 50 FFGDRM O=C([O-])N1CCOC[C@H]1[C@@H]1CCCC1=NNC(=O)c1cc2ccccc2o1 ZINC000834044984 605744565 /nfs/dbraw/zinc/74/45/65/605744565.db2.gz KMYPSEMFGSIGIX-HIFRSBDPSA-N -1 0 371.393 2.698 20 50 FFGDRM CC(C)NC(=O)Nc1ccccc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833503207 605771581 /nfs/dbraw/zinc/77/15/81/605771581.db2.gz PERGVLLMUDDTMT-UHFFFAOYSA-N -1 0 356.382 2.672 20 50 FFGDRM Cc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2O)ccc1NC(=O)[O-] ZINC000829962198 605874681 /nfs/dbraw/zinc/87/46/81/605874681.db2.gz VYYHQYVKPLXFRP-UHFFFAOYSA-N -1 0 363.757 2.519 20 50 FFGDRM O=C([O-])NCCCC(=O)NNC(=O)CC1CCC(c2ccccc2)CC1 ZINC000834230229 605977402 /nfs/dbraw/zinc/97/74/02/605977402.db2.gz AULNMGSKUTZCOW-UHFFFAOYSA-N -1 0 361.442 2.546 20 50 FFGDRM O=C(CCC=Cc1ccccc1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826405513 608574690 /nfs/dbraw/zinc/57/46/90/608574690.db2.gz ITGCTJALVBXPFB-YWEYNIOJSA-N -1 0 369.816 2.852 20 50 FFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000826445267 608575220 /nfs/dbraw/zinc/57/52/20/608575220.db2.gz MWDDNOQFJGJRFH-UHFFFAOYSA-N -1 0 373.848 2.575 20 50 FFGDRM Cc1ccc(C[C@@H](C)C(=O)NNc2oc(C(C)C)nc2-c2nnn[n-]2)cc1 ZINC000826286410 609450508 /nfs/dbraw/zinc/45/05/08/609450508.db2.gz AYJWIELTYNRWGY-GFCCVEGCSA-N -1 0 369.429 2.608 20 50 FFGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1CCC(C)C ZINC001600184592 970775041 /nfs/dbraw/zinc/77/50/41/970775041.db2.gz PKFHGALBGPRUDZ-LTKMBJGESA-N -1 0 357.454 2.991 20 50 FFGDRM O=C([O-])c1ccc(NC(=O)NNc2ccc3c(cc[nH]c3=O)c2)c(F)c1 ZINC001601559202 971015530 /nfs/dbraw/zinc/01/55/30/971015530.db2.gz NFEUJLUPLMHYMT-UHFFFAOYSA-N -1 0 356.313 2.514 20 50 FFGDRM CC(C)Oc1ccccc1C(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000735914244 944711809 /nfs/dbraw/zinc/71/18/09/944711809.db2.gz UEQVCMCWVBOVCA-UHFFFAOYSA-N -1 0 371.401 2.522 20 50 FFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)CC=Cc2ccc(F)cc2)o1 ZINC000820203281 945377606 /nfs/dbraw/zinc/37/76/06/945377606.db2.gz QTBNGEGAGDYXOB-ARJAWSKDSA-N -1 0 371.376 2.664 20 50 FFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@@H]2CCCc3sccc32)o1 ZINC000820203463 945380406 /nfs/dbraw/zinc/38/04/06/945380406.db2.gz UPFLVFGYMOXOBH-SNVBAGLBSA-N -1 0 373.442 2.603 20 50 FFGDRM O=C([O-])c1ccccc1CNC(=O)NNc1cc(Cl)nc2ncccc12 ZINC001594772098 953570653 /nfs/dbraw/zinc/57/06/53/953570653.db2.gz RLNZXCQOFQBJRM-UHFFFAOYSA-N -1 0 371.784 2.808 20 50 FFGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000739804636 955255011 /nfs/dbraw/zinc/25/50/11/955255011.db2.gz HPYHBEGFZUXKBI-FNHQQPGVSA-N -1 0 373.453 2.543 20 50 FFGDRM COc1ccc(NC(=O)/C(C#N)=C\c2cccc(C(=O)[O-])c2)cc1OC ZINC000765827857 955314723 /nfs/dbraw/zinc/31/47/23/955314723.db2.gz YRHGJKGXBXSECU-ZROIWOOFSA-N -1 0 352.346 2.948 20 50 FFGDRM O=C([O-])c1cccc(CNC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)c1 ZINC000776631203 955330355 /nfs/dbraw/zinc/33/03/55/955330355.db2.gz GXEJYIGVAWWSEN-YNZJMPHRSA-N -1 0 352.228 2.955 20 50 FFGDRM C[C@H](Nc1nc2ccccc2s1)C(=O)NN=C1CCC(C(=O)[O-])CC1 ZINC000814782072 955360821 /nfs/dbraw/zinc/36/08/21/955360821.db2.gz KQIIAOCIHNXCSQ-VUWPPUDQSA-N -1 0 360.439 2.844 20 50 FFGDRM CCn1c2ccccc2nc1SCC(=O)NN=C1CCC(C(=O)[O-])CC1 ZINC000814874429 955364313 /nfs/dbraw/zinc/36/43/13/955364313.db2.gz QFSUSGJQJBUVGX-UHFFFAOYSA-N -1 0 374.466 2.895 20 50 FFGDRM CCC(CC)(CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000818626752 955415854 /nfs/dbraw/zinc/41/58/54/955415854.db2.gz IMRZHPXYVAZROR-UHFFFAOYSA-N -1 0 363.458 2.819 20 50 FFGDRM O=C([O-])c1ccc(CNC(=O)NNC(=O)c2cccc3ccccc32)cc1 ZINC000819195023 955438792 /nfs/dbraw/zinc/43/87/92/955438792.db2.gz UEVBUZKZKDCUAW-UHFFFAOYSA-N -1 0 363.373 2.682 20 50 FFGDRM Cc1cc(/C=C(\C#N)C(=O)NCCCCC(=O)[O-])c(C)n1C[C@@H]1CCCO1 ZINC001594301073 957910242 /nfs/dbraw/zinc/91/02/42/957910242.db2.gz HEVKXHQFGYGOGW-RLGUWMIQSA-N -1 0 373.453 2.562 20 50 FFGDRM Cc1cc(Cl)ccc1NNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594308204 957989285 /nfs/dbraw/zinc/98/92/85/957989285.db2.gz QLATUPZQIDCLDT-OFKYTCTHSA-N -1 0 367.833 2.687 20 50 FFGDRM C=CCOc1ccc(C=CC(=O)NNc2ncccc2C(=O)[O-])cc1OC ZINC001588466520 958513270 /nfs/dbraw/zinc/51/32/70/958513270.db2.gz XFEAYBZRKQKVPT-CLFYSBASSA-N -1 0 369.377 2.510 20 50 FFGDRM C[C@H](Oc1ccc2ccccc2c1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001594244413 959555865 /nfs/dbraw/zinc/55/58/65/959555865.db2.gz NWTSWUJZWLSISP-LBPRGKRZSA-N -1 0 351.362 2.844 20 50 FFGDRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001603277377 972500395 /nfs/dbraw/zinc/50/03/95/972500395.db2.gz VVGSJKIIBCUJSL-GFCCVEGCSA-N -1 0 357.410 2.988 20 50 FFGDRM O=C([O-])c1ccccc1CNC(=O)NNC(=O)c1cccc2ccccc21 ZINC001605808519 972524300 /nfs/dbraw/zinc/52/43/00/972524300.db2.gz KYUZMMWABVSLON-UHFFFAOYSA-N -1 0 363.373 2.682 20 50 FFGDRM Cc1cccc(NC(=S)NNC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1C ZINC001574396875 961212676 /nfs/dbraw/zinc/21/26/76/961212676.db2.gz ANYBMUBQLOLQAC-CLFYSBASSA-N -1 0 359.407 2.626 20 50 FFGDRM Cc1cccc(NNC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c1Cl ZINC001574397248 961216980 /nfs/dbraw/zinc/21/69/80/961216980.db2.gz NGMBNQJPXJSMTC-JKGQDXBKSA-N -1 0 367.833 2.687 20 50 FFGDRM CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCC(=O)[O-])c2C)cc1 ZINC001573920389 961531838 /nfs/dbraw/zinc/53/18/38/961531838.db2.gz OSTQIXORYJSDPZ-MHWRWJLKSA-N -1 0 367.405 2.601 20 50 FFGDRM N#Cc1ccc(Br)c(NNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC001574486371 961683912 /nfs/dbraw/zinc/68/39/12/961683912.db2.gz VRZGVMLWLNJXCY-OAHLLOKOSA-N -1 0 364.199 2.575 20 50 FFGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c1C ZINC001574118343 962472085 /nfs/dbraw/zinc/47/20/85/962472085.db2.gz JRICYCCXPCRKPM-PXJDSDGNSA-N -1 0 373.453 2.683 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cccc(Br)c1F ZINC001605820929 972551037 /nfs/dbraw/zinc/55/10/37/972551037.db2.gz MGPHKCLGTDAWNH-UHFFFAOYSA-N -1 0 369.150 2.830 20 50 FFGDRM CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001603640397 973981770 /nfs/dbraw/zinc/98/17/70/973981770.db2.gz FKTSHSJDGGYSFA-HZPDHXFCSA-N -1 0 362.426 2.518 20 50 FFGDRM CC(C)n1c(=O)[nH]c2ccc(C(=O)NNc3cccc(C(=O)[O-])c3F)cc21 ZINC001592118009 976923112 /nfs/dbraw/zinc/92/31/12/976923112.db2.gz WDOABSWVUKBDNM-UHFFFAOYSA-N -1 0 372.356 2.917 20 50 FFGDRM C[C@@H](Nc1nc2ccccc2s1)C(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000730582492 978297048 /nfs/dbraw/zinc/29/70/48/978297048.db2.gz CGLPETGDUWDYDF-LLVKDONJSA-N -1 0 368.418 2.945 20 50 FFGDRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736703031 978349767 /nfs/dbraw/zinc/34/97/67/978349767.db2.gz KKRBWEJIBRUZQL-QMMMGPOBSA-N -1 0 367.260 2.944 20 50 FFGDRM CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737195728 978387432 /nfs/dbraw/zinc/38/74/32/978387432.db2.gz XRCFRIVEYTYIRN-GTVARFKMSA-N -1 0 364.401 2.977 20 50 FFGDRM CCOc1ccc(C=C(C#N)C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000737199610 978387636 /nfs/dbraw/zinc/38/76/36/978387636.db2.gz LQOXJDBQYYJZLX-NTUHNPAUSA-N -1 0 369.329 2.710 20 50 FFGDRM COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737987566 978464228 /nfs/dbraw/zinc/46/42/28/978464228.db2.gz UAADKULOCUDBGC-GANRHZMWSA-N -1 0 362.341 2.843 20 50 FFGDRM Cc1noc(-c2ccccc2C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000738938341 978610219 /nfs/dbraw/zinc/61/02/19/978610219.db2.gz WRMRTSYEMDLNQS-UHFFFAOYSA-N -1 0 369.289 2.871 20 50 FFGDRM O=C([O-])c1cc(OC(=O)C2=NO[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000740306583 978674366 /nfs/dbraw/zinc/67/43/66/978674366.db2.gz DRSUFYNUHDXZTD-OAHLLOKOSA-N -1 0 356.290 2.716 20 50 FFGDRM O=C([O-])[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1ccccc1 ZINC000776646792 978766411 /nfs/dbraw/zinc/76/64/11/978766411.db2.gz OZGYTYKQXYCWDX-PLNCSYRRSA-N -1 0 366.255 2.925 20 50 FFGDRM C[C@@H](CNC(=O)NNc1cc(C(=O)[O-])ccc1Br)C1CC1 ZINC001592676648 979096924 /nfs/dbraw/zinc/09/69/24/979096924.db2.gz TVXNHTXTJZYQTJ-QMMMGPOBSA-N -1 0 356.220 2.820 20 50 FFGDRM CCC1(CC)[C@H](NC(=O)NNc2ccc(C(=O)[O-])cc2F)[C@@H](C)[C@H]1OC ZINC001595373525 980873631 /nfs/dbraw/zinc/87/36/31/980873631.db2.gz KUIRARVXRGTFMH-VCTAVGKDSA-N -1 0 367.421 2.990 20 50 FFGDRM CC[C@](C)(NC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C)C(=O)[O-] ZINC001594834919 982025463 /nfs/dbraw/zinc/02/54/63/982025463.db2.gz BQBWAOJXUSVULS-CESIZUJHSA-N -1 0 361.442 2.589 20 50 FFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC000911618037 982555662 /nfs/dbraw/zinc/55/56/62/982555662.db2.gz JKLGETUXIWCIHG-WFASDCNBSA-N -1 0 357.248 2.697 20 50 FFGDRM CCC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C)C(=O)[O-] ZINC001595987957 983241805 /nfs/dbraw/zinc/24/18/05/983241805.db2.gz UGLKGGYHFGQGQK-RRBNNULLSA-N -1 0 373.453 2.560 20 50 FFGDRM CCCc1c(C(=O)NNc2cccc(C(=O)[O-])c2C)[nH]c(C)c1C(=O)OC ZINC001596045419 983332886 /nfs/dbraw/zinc/33/28/86/983332886.db2.gz BNYQYXCUPSCXSN-UHFFFAOYSA-N -1 0 373.409 2.826 20 50 FFGDRM CCNC(=O)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2C)c(C)c1 ZINC001596483373 984215106 /nfs/dbraw/zinc/21/51/06/984215106.db2.gz KHKPRIYPYRHKBA-UHFFFAOYSA-N -1 0 370.409 2.900 20 50 FFGDRM CCNc1ncc(C(=O)NNc2cccc(F)c2C(=O)[O-])cc1Cl ZINC001596507119 984264577 /nfs/dbraw/zinc/26/45/77/984264577.db2.gz AFRMBKPVHCTUKI-UHFFFAOYSA-N -1 0 352.753 2.761 20 50 FFGDRM C[C@H]1CN(C(=O)[C@]2(c3ccccc3)C[C@H]2Br)CC[C@H]1C(=O)[O-] ZINC001599915251 985046302 /nfs/dbraw/zinc/04/63/02/985046302.db2.gz STEGXVHEJKLTPJ-VYHVBIQSSA-N -1 0 366.255 2.661 20 50 FFGDRM CCO/C=C(/C#N)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001596864967 985675562 /nfs/dbraw/zinc/67/55/62/985675562.db2.gz YTCNMDIBIFTRSZ-CLFYSBASSA-N -1 0 353.172 2.838 20 50 FFGDRM CC(=O)c1[nH]c(CC(=O)NNc2cc(F)cc(Cl)c2)c(C(=O)[O-])c1C ZINC001589243321 985836220 /nfs/dbraw/zinc/83/62/20/985836220.db2.gz JGCMIKOJFUAUHZ-UHFFFAOYSA-N -1 0 367.764 2.702 20 50 FFGDRM CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC001597082120 986630999 /nfs/dbraw/zinc/63/09/99/986630999.db2.gz WPUXRMBGTYMKNW-SVTZGKHISA-N -1 0 356.300 2.514 20 50 FFGDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NNC(=O)c2c[nH]c3ccccc23)cc1 ZINC001589512475 987150063 /nfs/dbraw/zinc/15/00/63/987150063.db2.gz TWWADFHIBCWJLD-LLVKDONJSA-N -1 0 366.377 2.823 20 50 FFGDRM CC(C)(C(=O)NNc1cccc(C(=O)[O-])c1F)c1ccc2c(c1)OCCO2 ZINC001589574708 987348664 /nfs/dbraw/zinc/34/86/64/987348664.db2.gz GPJYBYTWJFAHSG-UHFFFAOYSA-N -1 0 374.368 2.716 20 50 FFGDRM CCc1cccc(C)c1NC(=S)NNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001597581154 988385984 /nfs/dbraw/zinc/38/59/84/988385984.db2.gz PYWRJJSOCVNTGT-HDJSIYSDSA-N -1 0 363.483 2.766 20 50 FFGDRM CCc1nc2ccccc2c(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)c1C ZINC001597691976 988890256 /nfs/dbraw/zinc/89/02/56/988890256.db2.gz XEYZFZQUFFQWQV-UHFFFAOYSA-N -1 0 350.378 2.956 20 50 FFGDRM CC(C)(CNC(=O)[C@@]1(c2ccccc2)C[C@@H]1Br)CC(=O)[O-] ZINC001590706044 990448160 /nfs/dbraw/zinc/44/81/60/990448160.db2.gz FEHOUQGZTRTWJX-BLLLJJGKSA-N -1 0 354.244 2.709 20 50 FFGDRM CC(C)(CNC(=O)NNc1ccc(F)cc1Br)CC(=O)[O-] ZINC001590726640 990519991 /nfs/dbraw/zinc/51/99/91/990519991.db2.gz RFMFHCVGYNBKRE-UHFFFAOYSA-N -1 0 362.199 2.715 20 50 FFGDRM CC(C)[C@H](C(=O)NNc1cccc(C(=O)[O-])c1F)C(=O)OC(C)(C)C ZINC001590956850 991031988 /nfs/dbraw/zinc/03/19/88/991031988.db2.gz FUHZUKZCGNTZLM-GFCCVEGCSA-N -1 0 354.378 2.581 20 50 FFGDRM CN(C)N(C(=O)Cc1ccc(Cl)s1)c1nc(CC(=O)[O-])cs1 ZINC001598257974 991077137 /nfs/dbraw/zinc/07/71/37/991077137.db2.gz WBJBXLBJDATNMQ-UHFFFAOYSA-N -1 0 359.860 2.537 20 50 FFGDRM CC(C)[C@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1cccnc1 ZINC001590983219 991158645 /nfs/dbraw/zinc/15/86/45/991158645.db2.gz FCZASGFTMRXQKB-HNNXBMFYSA-N -1 0 360.389 2.985 20 50 FFGDRM CS[C@H](C(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C)c1ccccc1 ZINC001599779508 992346798 /nfs/dbraw/zinc/34/67/98/992346798.db2.gz AJKMIEHEYRJZJF-AWEZNQCLSA-N -1 0 365.480 2.684 20 50 FFGDRM CC(C)NC(=O)Nc1cccc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001591655496 992979562 /nfs/dbraw/zinc/97/95/62/992979562.db2.gz KBVIVPIVDZIFID-UHFFFAOYSA-N -1 0 374.372 2.811 20 50 FFGDRM C[C@H](NC(=O)NNC(=O)CCC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593102268 993742767 /nfs/dbraw/zinc/74/27/67/993742767.db2.gz QRDZASBYHACOHD-JTQLQIEISA-N -1 0 368.459 2.593 20 50 FFGDRM COc1cccc(C[C@@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001599664863 994713310 /nfs/dbraw/zinc/71/33/10/994713310.db2.gz HGDIZHAOBCDIGH-LLVKDONJSA-N -1 0 361.373 2.790 20 50 FFGDRM COc1cccc(CCC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1F ZINC001599670914 994810262 /nfs/dbraw/zinc/81/02/62/994810262.db2.gz SHTTWNDHZKWXCO-UHFFFAOYSA-N -1 0 350.321 2.748 20 50 FFGDRM C[C@@H](Oc1cccc(Cl)c1)C(=O)NN[C@H](C(=O)[O-])c1ccsc1 ZINC001593639291 995940795 /nfs/dbraw/zinc/94/07/95/995940795.db2.gz HPTUVHHXVICEPI-RNCFNFMXSA-N -1 0 354.815 2.616 20 50 FFGDRM C[C@H](Sc1ccccc1C(=O)NN=c1[nH]c2ccccc2[nH]1)C(=O)[O-] ZINC001593671960 996072690 /nfs/dbraw/zinc/07/26/90/996072690.db2.gz DNUSRQXLVSHDDR-JTQLQIEISA-N -1 0 356.407 2.885 20 50 FFGDRM C[C@]1(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C[C@@H]1Br ZINC001593748067 996377004 /nfs/dbraw/zinc/37/70/04/996377004.db2.gz CBPBQXXAWBQTAL-WFASDCNBSA-N -1 0 356.191 2.582 20 50 FFGDRM COCc1cc(CNC(=O)NNc2cccc(C(=O)[O-])c2F)ccc1F ZINC001599282514 996916669 /nfs/dbraw/zinc/91/66/69/996916669.db2.gz SRCURNCWZGANMF-UHFFFAOYSA-N -1 0 365.336 2.636 20 50 FFGDRM CO[C@@H]1CCC[C@H](C(=O)NNc2cc(C(=O)[O-])ccc2Br)C1 ZINC001599103653 997435380 /nfs/dbraw/zinc/43/53/80/997435380.db2.gz OGFMMBZGEYANMI-GXSJLCMTSA-N -1 0 371.231 2.796 20 50 FFGDRM COc1ccc(C2(C(=O)NNc3ccccc3C(=O)[O-])CCOCC2)cc1 ZINC001599536932 997759947 /nfs/dbraw/zinc/75/99/47/997759947.db2.gz NSGGVNHQGCXXBZ-UHFFFAOYSA-N -1 0 370.405 2.585 20 50 FFGDRM COc1c(NC(=O)NC[C@@]2(C)C[C@@H]2Br)cccc1C(=O)[O-] ZINC001599341795 997933337 /nfs/dbraw/zinc/93/33/37/997933337.db2.gz WONHHIOTKXNMEQ-IINYFYTJSA-N -1 0 357.204 2.688 20 50 FFGDRM COc1ccc(/C=C/C(=O)[O-])cc1OS(=O)(=O)CC(C)(C)CCl ZINC001599547880 997955251 /nfs/dbraw/zinc/95/52/51/997955251.db2.gz ZVSSOKFCZSQHKP-FNORWQNLSA-N -1 0 362.831 2.767 20 50 FFGDRM COc1ccc(CCC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1F ZINC001599552345 998029681 /nfs/dbraw/zinc/02/96/81/998029681.db2.gz BMZTZKDUTQEWEI-UHFFFAOYSA-N -1 0 350.321 2.748 20 50 FFGDRM COc1ccc(CC[C@H](C)NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC001599553547 998050583 /nfs/dbraw/zinc/05/05/83/998050583.db2.gz IZDXCRDPIJZKPW-AWEZNQCLSA-N -1 0 371.437 2.970 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1C ZINC001599161741 998469929 /nfs/dbraw/zinc/46/99/29/998469929.db2.gz SIUOZAUJBDWJTI-VSGGTOSXSA-N -1 0 373.453 2.541 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCC2(C(=O)[O-])CC2)c1C ZINC001599162242 998478152 /nfs/dbraw/zinc/47/81/52/998478152.db2.gz XXTFSXQWUKUGSK-MJOIQJIUSA-N -1 0 360.410 2.627 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)C(F)(F)Cc1ccccc1 ZINC001599375700 998481262 /nfs/dbraw/zinc/48/12/62/998481262.db2.gz AZWIZPGBJOHUAA-UHFFFAOYSA-N -1 0 350.321 2.715 20 50 FFGDRM COC(=O)c1ccc(Cl)c(C(=O)NNc2ccc(CC(=O)[O-])cc2)c1 ZINC001598975565 998596334 /nfs/dbraw/zinc/59/63/34/998596334.db2.gz JFONTDNRWJJZKV-UHFFFAOYSA-N -1 0 362.769 2.511 20 50 FFGDRM CO[C@@H](CC(C)C)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001599045486 999148138 /nfs/dbraw/zinc/14/81/38/999148138.db2.gz QCSRJSAAYOIIIH-LBPRGKRZSA-N -1 0 359.220 2.652 20 50 FFGDRM O=C([O-])[C@H](NNC(=O)c1cccc(Br)c1)c1ccc(F)cc1 ZINC000833149185 600758055 /nfs/dbraw/zinc/75/80/55/600758055.db2.gz HLFYIEFIGGCGOE-CYBMUJFWSA-N -1 0 367.174 2.649 20 50 FFGDRM O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833095974 600870999 /nfs/dbraw/zinc/87/09/99/600870999.db2.gz VIRGVESTFBXXHF-PGPWEFTKSA-N -1 0 362.470 2.631 20 50 FFGDRM N#Cc1cccc([C@H](NNC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)[O-])c1 ZINC000833075045 601298985 /nfs/dbraw/zinc/29/89/85/601298985.db2.gz GZIZSKLPDXZBHD-IXYLRAAXSA-N -1 0 367.449 2.911 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OC/C=C(/C)C(=O)[O-])c1C ZINC000831651342 601406126 /nfs/dbraw/zinc/40/61/26/601406126.db2.gz WLWFFPCGDYCEET-WZJVMSCRSA-N -1 0 360.410 2.793 20 50 FFGDRM O=C([O-])Nc1ccc(C=NNC(=O)c2ccc(Br)s2)cn1 ZINC000832841246 603486026 /nfs/dbraw/zinc/48/60/26/603486026.db2.gz UDQQICZFRCKPEY-UHFFFAOYSA-N -1 0 369.200 2.759 20 50 FFGDRM C[C@H](C(=O)NNc1cnnc2ccccc21)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823703971 603618307 /nfs/dbraw/zinc/61/83/07/603618307.db2.gz QRFSBLQVADVMRQ-SJCJKPOMSA-N -1 0 365.393 2.718 20 50 FFGDRM Cc1nc(Cl)cc(NNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)n1 ZINC000830761402 603919735 /nfs/dbraw/zinc/91/97/35/603919735.db2.gz RTCWLHGLGGSLJZ-YMTOWFKASA-N -1 0 363.805 2.527 20 50 FFGDRM CC(C)(CC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)NC(=O)[O-] ZINC000823881977 604032542 /nfs/dbraw/zinc/03/25/42/604032542.db2.gz MTEIGOMUOFRNJO-UHFFFAOYSA-N -1 0 370.409 2.943 20 50 FFGDRM CCOc1ccc(C(=O)NN=C(C)[C@@H]2CCCCN2C(=O)[O-])cc1OC ZINC000827426903 604088577 /nfs/dbraw/zinc/08/85/77/604088577.db2.gz ANAHVDZYRFHDOB-AWEZNQCLSA-N -1 0 363.414 2.732 20 50 FFGDRM C[C@@H](CC(=O)NNc1cc(F)c(F)c(F)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824679945 604582685 /nfs/dbraw/zinc/58/26/85/604582685.db2.gz POQZVIGDGYPMRV-UWVGGRQHSA-N -1 0 359.348 2.963 20 50 FFGDRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)cc1 ZINC000825388259 604610794 /nfs/dbraw/zinc/61/07/94/604610794.db2.gz CKYOBOITVFBJLR-LLVKDONJSA-N -1 0 373.369 2.750 20 50 FFGDRM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833538373 604805245 /nfs/dbraw/zinc/80/52/45/604805245.db2.gz CXPMEHWSISUXBR-MRVPVSSYSA-N -1 0 370.192 2.997 20 50 FFGDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833538639 605247224 /nfs/dbraw/zinc/24/72/24/605247224.db2.gz UOCCUNHNGJTWLZ-JTQLQIEISA-N -1 0 359.769 2.820 20 50 FFGDRM CC(=O)c1ccc(OCCCC(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC000833401461 605257969 /nfs/dbraw/zinc/25/79/69/605257969.db2.gz LRPMDQZKNLUSDH-UHFFFAOYSA-N -1 0 356.378 2.890 20 50 FFGDRM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC000833605554 605260484 /nfs/dbraw/zinc/26/04/84/605260484.db2.gz QCQFASJZILHONG-XHDPSFHLSA-N -1 0 353.378 2.736 20 50 FFGDRM CC[C@H](C(=O)NNC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000833636391 605437545 /nfs/dbraw/zinc/43/75/45/605437545.db2.gz QEQOZCBZZDNOSZ-HNNXBMFYSA-N -1 0 361.442 2.546 20 50 FFGDRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1ccc(Cl)nc1 ZINC000834045173 605722616 /nfs/dbraw/zinc/72/26/16/605722616.db2.gz MPAIHBDTGMSHLC-DGCLKSJQSA-N -1 0 350.806 2.763 20 50 FFGDRM N#Cc1ccc(NNC(=O)[C@H]2CCCCN2C(=O)[O-])cc1C(F)(F)F ZINC000833973641 605735283 /nfs/dbraw/zinc/73/52/83/605735283.db2.gz BELNLWPZUAGWSQ-GFCCVEGCSA-N -1 0 356.304 2.553 20 50 FFGDRM O=C([O-])c1cccc(NNC(=O)Cc2csc(-c3ccccn3)n2)c1 ZINC000833765365 605736420 /nfs/dbraw/zinc/73/64/20/605736420.db2.gz JXAYNEVVZBZDSD-UHFFFAOYSA-N -1 0 354.391 2.589 20 50 FFGDRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NNc1ccc(OCC(F)(F)F)cc1 ZINC000834174227 605737954 /nfs/dbraw/zinc/73/79/54/605737954.db2.gz VGCKQRIKBPWTCO-VXGBXAGGSA-N -1 0 361.320 2.507 20 50 FFGDRM O=C([O-])Nc1cccc(CC(=O)NNC(=O)CCCc2cccs2)c1 ZINC000834266952 605803994 /nfs/dbraw/zinc/80/39/94/605803994.db2.gz MJEXVFMFMONSSH-UHFFFAOYSA-N -1 0 361.423 2.551 20 50 FFGDRM CCSc1cccc(C(=O)NNc2oc(C(C)C)nc2-c2nnn[n-]2)c1 ZINC000825673846 608120779 /nfs/dbraw/zinc/12/07/79/608120779.db2.gz DSZNXFCPJPGXBV-UHFFFAOYSA-N -1 0 373.442 2.847 20 50 FFGDRM C[C@H](CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1CCCCC1 ZINC000824385527 608571214 /nfs/dbraw/zinc/57/12/14/608571214.db2.gz WFJAELULQNOSQZ-SNVBAGLBSA-N -1 0 363.853 2.965 20 50 FFGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1sccc1C1CC1 ZINC000826445663 608577591 /nfs/dbraw/zinc/57/75/91/608577591.db2.gz DVBPZVGAMWMIAJ-UHFFFAOYSA-N -1 0 361.818 2.611 20 50 FFGDRM O=C([O-])CCc1cccc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)c1 ZINC001611459510 971061642 /nfs/dbraw/zinc/06/16/42/971061642.db2.gz GYPGFVGMQRLNIO-UHFFFAOYSA-N -1 0 373.434 2.721 20 50 FFGDRM N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000006279743 948771003 /nfs/dbraw/zinc/77/10/03/948771003.db2.gz KZVHIRZRDTXRPT-NTEUORMPSA-N -1 0 350.330 2.702 20 50 FFGDRM O=C([O-])CCCCCNC(=O)[C@@]1(c2ccccc2)C[C@@H]1Br ZINC001595036041 951404513 /nfs/dbraw/zinc/40/45/13/951404513.db2.gz OXCKNAYYZJCNTK-XJKSGUPXSA-N -1 0 354.244 2.853 20 50 FFGDRM CCc1cc(Br)ccc1NNC(=O)c1ccc(C(=O)[O-])cn1 ZINC001593628530 953573021 /nfs/dbraw/zinc/57/30/21/953573021.db2.gz LLPYNEMMVDQQFD-UHFFFAOYSA-N -1 0 364.199 2.862 20 50 FFGDRM O=C([O-])[C@@H]1C[C@H](NC(=O)NNc2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC001594779814 953618953 /nfs/dbraw/zinc/61/89/53/953618953.db2.gz FWCIBQNQWBQDCO-DOMZBBRYSA-N -1 0 374.328 2.673 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)C(=Cc1ccccc1)C(F)(F)F ZINC001594782214 953643290 /nfs/dbraw/zinc/64/32/90/953643290.db2.gz SMBVMPANBJUNJI-FMIVXFBMSA-N -1 0 351.284 2.869 20 50 FFGDRM CC[C@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C ZINC001589430181 954645219 /nfs/dbraw/zinc/64/52/19/954645219.db2.gz MEFITZCKJFMDLM-ZGOZOZORSA-N -1 0 373.453 2.513 20 50 FFGDRM COc1ccc(Br)c(C(=O)NN=C2CCC(C(=O)[O-])CC2)c1 ZINC000738084791 955232412 /nfs/dbraw/zinc/23/24/12/955232412.db2.gz QQVZVCQBSSHOJO-UHFFFAOYSA-N -1 0 369.215 2.818 20 50 FFGDRM O=C([O-])c1ccc(/C=C\C(=O)NNc2ccccc2Br)o1 ZINC001594672297 956622941 /nfs/dbraw/zinc/62/29/41/956622941.db2.gz FQZQJFPPLXQRMX-VURMDHGXSA-N -1 0 351.156 2.897 20 50 FFGDRM O=C([O-])c1ccccc1CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000902368428 956710979 /nfs/dbraw/zinc/71/09/79/956710979.db2.gz ITNQQAKIFYHEHD-YNZJMPHRSA-N -1 0 352.228 2.955 20 50 FFGDRM COC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000011291976 956889299 /nfs/dbraw/zinc/88/92/99/956889299.db2.gz MFJAKZUEULLLCA-KMHUVPDISA-N -1 0 354.362 2.703 20 50 FFGDRM CC(=Cc1ccc(Br)o1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001588480096 958583860 /nfs/dbraw/zinc/58/38/60/958583860.db2.gz CGXPRMAHQFKKCE-FPLPWBNLSA-N -1 0 366.171 2.682 20 50 FFGDRM Cc1cccc(CC(=O)NN=c2[nH]cccc2C(=O)[O-])c1Br ZINC001594408276 958920292 /nfs/dbraw/zinc/92/02/92/958920292.db2.gz HXHLGUDMHJRCML-UHFFFAOYSA-N -1 0 364.199 2.537 20 50 FFGDRM CC(C)[C@H](CNC(=O)[C@]1(c2ccccc2)C[C@H]1Br)C(=O)[O-] ZINC001573489479 958998988 /nfs/dbraw/zinc/99/89/88/958998988.db2.gz FFJMYSVCTNQKNS-ZENOOKHLSA-N -1 0 354.244 2.565 20 50 FFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1C ZINC001573866899 961199162 /nfs/dbraw/zinc/19/91/62/961199162.db2.gz MZZJMTIFZVVHMD-UNPQPQDMSA-N -1 0 357.454 2.991 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC001574578363 962088331 /nfs/dbraw/zinc/08/83/31/962088331.db2.gz FVOIJGRNSGCYHL-UHFFFAOYSA-N -1 0 354.366 2.838 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c1C ZINC001574118335 962471783 /nfs/dbraw/zinc/47/17/83/962471783.db2.gz JRICYCCXPCRKPM-KORPRERVSA-N -1 0 373.453 2.683 20 50 FFGDRM O=C([O-])c1coc(CNS(=O)(=O)c2ccc(CCCCl)cc2)c1 ZINC000277165766 962847335 /nfs/dbraw/zinc/84/73/35/962847335.db2.gz SZDZTEZVIYUVIU-UHFFFAOYSA-N -1 0 357.815 2.628 20 50 FFGDRM O=C([O-])[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccccc2Cl)c2ccccc21 ZINC001605815884 972546036 /nfs/dbraw/zinc/54/60/36/972546036.db2.gz WTYCCHSLYHFGGL-HIFRSBDPSA-N -1 0 373.796 2.597 20 50 FFGDRM O=C([O-])c1cncc(NC(=O)NNc2ccccc2OC(F)(F)F)c1 ZINC001605815888 972546191 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O=C([O-])NCCCC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000834230887 605545498 /nfs/dbraw/zinc/54/54/98/605545498.db2.gz DDKQTLVBXFIZTN-UHFFFAOYSA-N -1 0 356.382 2.554 20 50 FFGDRM O=C([O-])N[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000834120911 605715975 /nfs/dbraw/zinc/71/59/75/605715975.db2.gz JXTCWEXJQKTQSC-CYBMUJFWSA-N -1 0 364.745 2.700 20 50 FFGDRM O=C([O-])N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000834046064 605720868 /nfs/dbraw/zinc/72/08/68/605720868.db2.gz XDSJNAPTNQFHQU-ZFWWWQNUSA-N -1 0 360.370 2.623 20 50 FFGDRM CC(C)Cn1ncc2cc(C(=O)NNc3cccc(C(=O)[O-])c3)cnc21 ZINC000833495742 605729924 /nfs/dbraw/zinc/72/99/24/605729924.db2.gz RVCHNEGNOINYRH-UHFFFAOYSA-N -1 0 353.382 2.542 20 50 FFGDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833636584 605744511 /nfs/dbraw/zinc/74/45/11/605744511.db2.gz WSVBVMZCBXMYNT-INIZCTEOSA-N -1 0 368.393 2.892 20 50 FFGDRM N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833967238 605895228 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Cc1cc(NC(=O)NNC(=O)c2cn(C)c3ccccc23)ccc1C(=O)[O-] ZINC001594322968 958136351 /nfs/dbraw/zinc/13/63/51/958136351.db2.gz KTQAOMNUEGLYIL-UHFFFAOYSA-N -1 0 366.377 2.651 20 50 FFGDRM Cc1cc2sc(NC(=O)NNc3ncccc3C(=O)[O-])nc2cc1F ZINC001594333123 958245058 /nfs/dbraw/zinc/24/50/58/958245058.db2.gz OVWGJSMXNWQWKK-UHFFFAOYSA-N -1 0 361.358 2.986 20 50 FFGDRM C=CCOc1ccc(C=CC(=O)NNc2ncccc2C(=O)[O-])cc1OC ZINC001588466521 958513017 /nfs/dbraw/zinc/51/30/17/958513017.db2.gz XFEAYBZRKQKVPT-VQHVLOKHSA-N -1 0 369.377 2.510 20 50 FFGDRM CC(C)[C@H](CNC(=O)[C@]1(c2ccccc2)C[C@@H]1Br)C(=O)[O-] ZINC001573489478 958999016 /nfs/dbraw/zinc/99/90/16/958999016.db2.gz FFJMYSVCTNQKNS-XEZPLFJOSA-N -1 0 354.244 2.565 20 50 FFGDRM CC(C)[C@@H](C(=O)[O-])C(=O)NNc1ccc(-c2ccc(Cl)s2)nn1 ZINC001588807591 961482041 /nfs/dbraw/zinc/48/20/41/961482041.db2.gz BRTQYKIWAVXQMK-GFCCVEGCSA-N -1 0 354.819 2.658 20 50 FFGDRM O=C([O-])[C@H]1CC(C(=O)NNc2ccccc2Cl)=NN1c1ccccc1 ZINC001605815304 972541773 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0 369.421 2.718 20 50 FFGDRM C[C@@H]1C(=NNC(=O)CSc2nc3ccccc3n2C)CC[C@H]1CC(=O)[O-] ZINC000814874481 978895330 /nfs/dbraw/zinc/89/53/30/978895330.db2.gz SCWGXYGGLYSNGE-RYUDHWBXSA-N -1 0 374.466 2.658 20 50 FFGDRM CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(C(=O)[O-])cc1 ZINC000825804598 978941856 /nfs/dbraw/zinc/94/18/56/978941856.db2.gz NQASUCZTJQNYNU-UHFFFAOYSA-N -1 0 364.199 2.640 20 50 FFGDRM O=C([O-])[C@H](CNS(=O)(=O)c1ccc(CCCCl)cc1)CC1CC1 ZINC000844822351 979399606 /nfs/dbraw/zinc/39/96/06/979399606.db2.gz VZKXRQPZHOTXDM-AWEZNQCLSA-N -1 0 359.875 2.637 20 50 FFGDRM C[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1ncc(C(=O)[O-])s1 ZINC000856994310 979621521 /nfs/dbraw/zinc/62/15/21/979621521.db2.gz VKXGGBCDSFVBNC-VGMIOIIVSA-N -1 0 373.272 2.972 20 50 FFGDRM CCCCn1cc(CNC(=O)NNc2cccc(C(=O)[O-])c2C)c(C)n1 ZINC001595805627 982632107 /nfs/dbraw/zinc/63/21/07/982632107.db2.gz ZTFDTOJVXDIMMS-UHFFFAOYSA-N -1 0 359.430 2.825 20 50 FFGDRM O=C([O-])COc1ccc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000916310257 982674158 /nfs/dbraw/zinc/67/41/58/982674158.db2.gz RBMPWCZRFXWOSS-UHFFFAOYSA-N -1 0 356.422 2.817 20 50 FFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])c1C ZINC001596107266 983431825 /nfs/dbraw/zinc/43/18/25/983431825.db2.gz COYDHSJYCNGGHH-YGCCTNMVSA-N -1 0 355.438 2.888 20 50 FFGDRM CCOC(=O)C(C#N)=CNc1cc(OC)c(Br)cc1C(=O)[O-] ZINC001596509728 984273473 /nfs/dbraw/zinc/27/34/73/984273473.db2.gz WPTFWOJTRAKGJL-FPLPWBNLSA-N -1 0 369.171 2.538 20 50 FFGDRM CCOC(=O)c1ccc(NNC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1C ZINC001596724785 984979014 /nfs/dbraw/zinc/97/90/14/984979014.db2.gz VPEJLBGIOHSLEO-RMKNXTFCSA-N -1 0 358.350 2.619 20 50 FFGDRM C[C@H]1CN(C(=O)[C@@]2(c3ccccc3)C[C@H]2Br)CC[C@H]1C(=O)[O-] ZINC001599915253 985045697 /nfs/dbraw/zinc/04/56/97/985045697.db2.gz STEGXVHEJKLTPJ-ZCTGUTNYSA-N -1 0 366.255 2.661 20 50 FFGDRM CCOC1(C(=O)NNc2cc(C(=O)[O-])ccc2Br)CCCC1 ZINC001596798657 985308016 /nfs/dbraw/zinc/30/80/16/985308016.db2.gz QKPXCCOXCJUYNB-UHFFFAOYSA-N -1 0 371.231 2.940 20 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/nfs/dbraw/zinc/35/03/85/987350385.db2.gz QURQZRIXFWGORS-UHFFFAOYSA-N -1 0 360.797 2.777 20 50 FFGDRM CCc1c(C(=O)NNc2ccc(CC(=O)[O-])cc2)cnn1C1CCCC1 ZINC001597410806 987696561 /nfs/dbraw/zinc/69/65/61/987696561.db2.gz LPHPMZWBHWUSNX-UHFFFAOYSA-N -1 0 356.426 2.945 20 50 FFGDRM CC(C)(C)[C@@H](Br)C(=O)OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589700139 987789371 /nfs/dbraw/zinc/78/93/71/987789371.db2.gz UKGNLZVKWMYABC-LBPRGKRZSA-N -1 0 372.215 2.676 20 50 FFGDRM CCc1csc(-n2cc(C(=O)NNc3ccc(C)c(C(=O)[O-])c3)cn2)n1 ZINC001597640349 988636854 /nfs/dbraw/zinc/63/68/54/988636854.db2.gz WJROOAOPRGSGQQ-UHFFFAOYSA-N -1 0 371.422 2.655 20 50 FFGDRM COc1ccccc1-c1nc(C(=O)NNc2ccc(C(=O)[O-])cn2)cs1 ZINC001599693406 991108103 /nfs/dbraw/zinc/10/81/03/991108103.db2.gz YBYMMUMEGCTNOV-UHFFFAOYSA-N -1 0 370.390 2.669 20 50 FFGDRM COc1ccccc1C(=O)NN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001599697333 991167478 /nfs/dbraw/zinc/16/74/78/991167478.db2.gz XUQPBRALDNJBHH-AWEZNQCLSA-N -1 0 352.749 2.548 20 50 FFGDRM COc1ccccc1C(=O)NN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001599697334 991167597 /nfs/dbraw/zinc/16/75/97/991167597.db2.gz XUQPBRALDNJBHH-CQSZACIVSA-N -1 0 352.749 2.548 20 50 FFGDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001591051952 991454047 /nfs/dbraw/zinc/45/40/47/991454047.db2.gz KAISYNAPTIYPMZ-IBGZPJMESA-N -1 0 367.405 2.732 20 50 FFGDRM COc1ccccc1OCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599716530 991465287 /nfs/dbraw/zinc/46/52/87/991465287.db2.gz BTDSIWATVPXXNL-UHFFFAOYSA-N -1 0 350.758 2.569 20 50 FFGDRM CN(NC(=O)OCc1ccccc1)C(=O)c1ccccc1CCC(=O)[O-] ZINC001598541316 992904678 /nfs/dbraw/zinc/90/46/78/992904678.db2.gz LRWRNKHVAZKQJJ-UHFFFAOYSA-N -1 0 356.378 2.617 20 50 FFGDRM C[C@@H](Oc1ccc(F)cc1)C(=O)NN[C@H](C(=O)[O-])c1ccccc1Cl ZINC001593620232 995868760 /nfs/dbraw/zinc/86/87/60/995868760.db2.gz GZVMUHYZNBZROP-BMIGLBTASA-N -1 0 366.776 2.693 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1OS(=O)(=O)c1ccc(CCCl)cc1 ZINC001599380964 996843616 /nfs/dbraw/zinc/84/36/16/996843616.db2.gz ZJJJFZQNYAKBBW-UHFFFAOYSA-N -1 0 370.810 2.942 20 50 FFGDRM COc1cc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c(C)c(OC)c1 ZINC001599440551 997922660 /nfs/dbraw/zinc/92/26/60/997922660.db2.gz VVIOIJDBEXDOSK-UHFFFAOYSA-N -1 0 363.345 2.998 20 50 FFGDRM CO[C@@H]1Cc2ccc(NC(=O)NNc3cccc(C(=O)[O-])c3C)cc2C1 ZINC001599139748 998106904 /nfs/dbraw/zinc/10/69/04/998106904.db2.gz YEQCXSCUACTHKT-OAHLLOKOSA-N -1 0 355.394 2.955 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)CCCC(=O)[O-])c1C ZINC001599162036 998474777 /nfs/dbraw/zinc/47/47/77/998474777.db2.gz VMFPNPAMZFFNCB-XGHPXPSOSA-N -1 0 361.442 2.543 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)COc1cc(C)ccc1Cl ZINC001599376749 998498346 /nfs/dbraw/zinc/49/83/46/998498346.db2.gz CBLQWDZHWUXCSU-UHFFFAOYSA-N -1 0 364.785 2.877 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001599377048 998504727 /nfs/dbraw/zinc/50/47/27/998504727.db2.gz ZCDKJRJTMLIBMX-UHFFFAOYSA-N -1 0 358.398 2.921 20 50 FFGDRM COc1ccc(C(=O)CCC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1F ZINC001599478380 998568268 /nfs/dbraw/zinc/56/82/68/998568268.db2.gz XAWSLJJNTZGUIR-UHFFFAOYSA-N -1 0 374.368 2.568 20 50 FFGDRM COC(=O)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)c(C)c1 ZINC001598981393 998660598 /nfs/dbraw/zinc/66/05/98/998660598.db2.gz QQEDXJDOJLXSFR-UHFFFAOYSA-N -1 0 361.329 2.768 20 50 FFGDRM O=C([O-])[C@@H](NNC(=O)Cc1cccc2ccccc21)c1ccccc1F ZINC000833118584 600736010 /nfs/dbraw/zinc/73/60/10/600736010.db2.gz JRARTHHSAWTXDE-IBGZPJMESA-N -1 0 352.365 2.968 20 50 FFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1C ZINC000829440479 601658241 /nfs/dbraw/zinc/65/82/41/601658241.db2.gz MHCDAWCZZJAGFB-OUQXZNHLSA-N -1 0 361.417 2.837 20 50 FFGDRM O=C([O-])c1cc(OC(=O)CCc2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000833102093 601676859 /nfs/dbraw/zinc/67/68/59/601676859.db2.gz BEIXVEDGQIRVFX-UHFFFAOYSA-N -1 0 360.278 2.739 20 50 FFGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c(C)n1CC(C)C ZINC000832881758 601715777 /nfs/dbraw/zinc/71/57/77/601715777.db2.gz VLLZKQHKRVRZHR-NXNKFBBFSA-N -1 0 361.417 2.693 20 50 FFGDRM CC(C)(CNC(=O)NNc1nc(Cl)c(Cl)cc1Cl)NC(=O)[O-] ZINC000823941731 603450093 /nfs/dbraw/zinc/45/00/93/603450093.db2.gz YCWODBHXABIAIN-UHFFFAOYSA-N -1 0 370.624 2.714 20 50 FFGDRM O=C([O-])N[C@H]1CCC[C@H](C(=O)NNc2ccc(Br)cc2)C1 ZINC000832327448 603455802 /nfs/dbraw/zinc/45/58/02/603455802.db2.gz YGIDTVVOMRKAFK-CABZTGNLSA-N -1 0 356.220 2.719 20 50 FFGDRM CN(C)c1ccc(NC(=O)NN=Cc2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000828074666 603822824 /nfs/dbraw/zinc/82/28/24/603822824.db2.gz ZYLKDFJZGWFPBZ-UHFFFAOYSA-N -1 0 367.409 2.949 20 50 FFGDRM CC(C)N(CCC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000824341026 604225832 /nfs/dbraw/zinc/22/58/32/604225832.db2.gz BRWJCBOFAFTTIN-UHFFFAOYSA-N -1 0 358.320 2.799 20 50 FFGDRM O=C([O-])c1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)cc1F ZINC000833148672 604308688 /nfs/dbraw/zinc/30/86/88/604308688.db2.gz PEYKYRJRTPSZSZ-UHFFFAOYSA-N -1 0 352.325 2.738 20 50 FFGDRM CC(C)(C(=O)[O-])[C@H](NC(=O)NNc1ccc(Cl)nn1)c1ccccc1 ZINC000826102850 604534061 /nfs/dbraw/zinc/53/40/61/604534061.db2.gz JZJGOABPIYIBBC-CYBMUJFWSA-N -1 0 363.805 2.608 20 50 FFGDRM C[C@@H](CC(=O)NNc1ccc(F)c(F)c1F)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824680403 604580684 /nfs/dbraw/zinc/58/06/84/604580684.db2.gz VHNBOVREDAHAQU-UWVGGRQHSA-N -1 0 359.348 2.963 20 50 FFGDRM C[C@@H](CC(=O)NNc1cccc(C(F)(F)F)n1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824679585 604582184 /nfs/dbraw/zinc/58/21/84/604582184.db2.gz LGHRAQIMQHWBKY-QWRGUYRKSA-N -1 0 374.363 2.960 20 50 FFGDRM CCOc1ccc(CCC(=O)NNc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000833664509 604647897 /nfs/dbraw/zinc/64/78/97/604647897.db2.gz VCKACFAIUUWXPN-UHFFFAOYSA-N -1 0 358.394 2.868 20 50 FFGDRM C=CCOc1ccc(C=CC(=O)NNc2ccc(C(=O)[O-])cn2)cc1OC ZINC000833378127 604801515 /nfs/dbraw/zinc/80/15/15/604801515.db2.gz YFGUDPYPOBJMBO-WEVVVXLNSA-N -1 0 369.377 2.510 20 50 FFGDRM O=C([O-])c1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1F ZINC000833149104 604804988 /nfs/dbraw/zinc/80/49/88/604804988.db2.gz FAMKGRLEKWIRDM-UHFFFAOYSA-N -1 0 360.385 2.501 20 50 FFGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1cccc(C(F)(F)F)c1 ZINC000833407624 605040180 /nfs/dbraw/zinc/04/01/80/605040180.db2.gz UEVGUIDARLTJQD-SNVBAGLBSA-N -1 0 353.300 2.916 20 50 FFGDRM CC(C)(C)[C@@H]1CCc2sc(C(=O)NN[C@@H](C(=O)[O-])C3CC3)cc2C1 ZINC000833424069 605061814 /nfs/dbraw/zinc/06/18/14/605061814.db2.gz HEHWBJZAJWJDQQ-IUODEOHRSA-N -1 0 350.484 2.997 20 50 FFGDRM Cc1cccc(-n2cc(C(=O)NNc3ccc(C(=O)[O-])c(Cl)c3)nn2)c1 ZINC000833752225 605244849 /nfs/dbraw/zinc/24/48/49/605244849.db2.gz NVTMSWCXYIJYNP-UHFFFAOYSA-N -1 0 371.784 2.684 20 50 FFGDRM CC(C)c1nnc(CCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000833512247 605249024 /nfs/dbraw/zinc/24/90/24/605249024.db2.gz RNIOLCFKBGTKQF-UHFFFAOYSA-N -1 0 352.778 2.621 20 50 FFGDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833544886 605258270 /nfs/dbraw/zinc/25/82/70/605258270.db2.gz BAXMQYDDNPVPIU-SNVBAGLBSA-N -1 0 361.379 2.917 20 50 FFGDRM CC(=NNC(=O)c1cc2c(s1)CCC2)c1ccccc1OCC(=O)[O-] ZINC000833385228 605326309 /nfs/dbraw/zinc/32/63/09/605326309.db2.gz TYMXUINWRPWBCL-UHFFFAOYSA-N -1 0 358.419 2.854 20 50 FFGDRM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNc1cc(Cl)ccn1 ZINC000834250228 605476951 /nfs/dbraw/zinc/47/69/51/605476951.db2.gz BOHYVUJYGGRSOG-AWEZNQCLSA-N -1 0 373.800 2.538 20 50 FFGDRM O=C([O-])N1CCC[C@H]1CCC(=O)NNc1ccccc1Br ZINC000833997832 605533676 /nfs/dbraw/zinc/53/36/76/605533676.db2.gz GZNCDGMDUIOWLS-JTQLQIEISA-N -1 0 356.220 2.815 20 50 FFGDRM O=C([O-])N[C@H](CC(=O)N[N-]C(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000834125290 605619215 /nfs/dbraw/zinc/61/92/15/605619215.db2.gz CFYPNNNFYRHQLT-CQSZACIVSA-N -1 0 367.361 2.593 20 50 FFGDRM O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2cccc(C(F)(F)F)c2)CC1 ZINC000834048743 605832589 /nfs/dbraw/zinc/83/25/89/605832589.db2.gz QSCBPNXCJKHQCL-LBPRGKRZSA-N -1 0 357.332 2.929 20 50 FFGDRM O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2ccc(OC(F)F)cc2)CC1 ZINC000834047222 605964719 /nfs/dbraw/zinc/96/47/19/605964719.db2.gz HZWRQKWQFQKLOQ-LBPRGKRZSA-N -1 0 355.341 2.511 20 50 FFGDRM O=C([O-])Nc1ccccc1CC(=O)NNC(=O)c1ccc2ccccc2c1 ZINC000834271610 606048638 /nfs/dbraw/zinc/04/86/38/606048638.db2.gz CUPZHKFSERGTMD-UHFFFAOYSA-N -1 0 363.373 2.933 20 50 FFGDRM Cc1ccc(Cl)cc1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826289370 608577286 /nfs/dbraw/zinc/57/72/86/608577286.db2.gz XPJFEFXHCIEFLT-UHFFFAOYSA-N -1 0 364.196 2.634 20 50 FFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@H]2C[C@H]2C2CCCCC2)o1 ZINC000735939266 944720232 /nfs/dbraw/zinc/72/02/32/944720232.db2.gz MNPUKAKHGUXANY-RYUDHWBXSA-N -1 0 359.434 2.638 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC001595261965 949677361 /nfs/dbraw/zinc/67/73/61/949677361.db2.gz NMXHKSXBQQMLMR-UHFFFAOYSA-N -1 0 360.679 2.604 20 50 FFGDRM O=C([O-])c1cncc(NC(=O)[C@@]2(c3ccccc3)C[C@@H]2Br)c1 ZINC001595270480 949820795 /nfs/dbraw/zinc/82/07/95/949820795.db2.gz DQQIBARWUGSDMY-XJKSGUPXSA-N -1 0 361.195 2.824 20 50 FFGDRM CC(C)(C)OC(=O)c1cccc(NC(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001602915845 971867295 /nfs/dbraw/zinc/86/72/95/971867295.db2.gz IFHPYNNQVNVEFM-UHFFFAOYSA-N -1 0 372.381 2.884 20 50 FFGDRM O=C([O-])c1ccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2F)c(F)c1 ZINC001594779718 953618981 /nfs/dbraw/zinc/61/89/81/953618981.db2.gz CQQRVPKSLWFJQL-UHFFFAOYSA-N -1 0 352.253 2.720 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1ccccc1Oc1ccncc1 ZINC001594781970 953639738 /nfs/dbraw/zinc/63/97/38/953639738.db2.gz ZMSABGMJOUBGCG-UHFFFAOYSA-N -1 0 350.334 2.724 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001594781997 953640182 /nfs/dbraw/zinc/64/01/82/953640182.db2.gz NIZRUQORUVIRNR-GFCCVEGCSA-N -1 0 364.308 2.715 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC001594782017 953641696 /nfs/dbraw/zinc/64/16/96/953641696.db2.gz OACVBJPKYSXDLC-UHFFFAOYSA-N -1 0 373.316 2.935 20 50 FFGDRM COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)[O-])c2C)cc1 ZINC000738084195 955232445 /nfs/dbraw/zinc/23/24/45/955232445.db2.gz INGIFFSNUBXHTO-RKPNYOAGSA-N -1 0 367.405 2.599 20 50 FFGDRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccccc1 ZINC000819631254 955451628 /nfs/dbraw/zinc/45/16/28/955451628.db2.gz AYIUVONQVVETPR-HNNXBMFYSA-N -1 0 353.827 2.572 20 50 FFGDRM C[C@@H]1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)C[C@H]1C(=O)[O-] ZINC000843304664 955623379 /nfs/dbraw/zinc/62/33/79/955623379.db2.gz OIVHHKKWJYIOGW-IUODEOHRSA-N -1 0 359.875 2.589 20 50 FFGDRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F ZINC001593913014 955987878 /nfs/dbraw/zinc/98/78/78/955987878.db2.gz IFFSBPVXCADKGI-LDYMZIIASA-N -1 0 357.737 2.944 20 50 FFGDRM O=C([O-])c1ccc(/C=C\C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC001594673284 956635374 /nfs/dbraw/zinc/63/53/74/956635374.db2.gz WSXAFMIEAZIFPM-UTCJRWHESA-N -1 0 351.702 2.696 20 50 FFGDRM COc1ccc(SCCCC(=O)NN=c2[nH]cccc2C(=O)[O-])cc1 ZINC001594112020 958519255 /nfs/dbraw/zinc/51/92/55/958519255.db2.gz PIZHOVOOHJWTRY-UHFFFAOYSA-N -1 0 361.423 2.804 20 50 FFGDRM Cc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1-c1ncco1 ZINC001594373052 958556303 /nfs/dbraw/zinc/55/63/03/958556303.db2.gz YHOWYQRGDIQPIJ-UHFFFAOYSA-N -1 0 353.338 2.892 20 50 FFGDRM Cc1cccc(Br)c1NNC(=O)NCC1(C(=O)[O-])CCC1 ZINC001594386435 958676402 /nfs/dbraw/zinc/67/64/02/958676402.db2.gz JKQMWELOEUFMNT-UHFFFAOYSA-N -1 0 356.220 2.639 20 50 FFGDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NNc2cccc(F)c2Cl)n1 ZINC001588625559 959572441 /nfs/dbraw/zinc/57/24/41/959572441.db2.gz IEBVMJHCDZGYBS-UHFFFAOYSA-N -1 0 355.757 2.644 20 50 FFGDRM C[C@@H](SCC(=O)NNc1ncccc1C(=O)[O-])c1nc2ccccc2[nH]1 ZINC001603281945 972515472 /nfs/dbraw/zinc/51/54/72/972515472.db2.gz UPABUBZIIXXTSJ-SNVBAGLBSA-N -1 0 371.422 2.594 20 50 FFGDRM C[C@H](SCC(=O)NNc1ncccc1C(=O)[O-])c1nc2ccccc2[nH]1 ZINC001603281944 972515594 /nfs/dbraw/zinc/51/55/94/972515594.db2.gz UPABUBZIIXXTSJ-JTQLQIEISA-N -1 0 371.422 2.594 20 50 FFGDRM O=C([O-])c1cccc(NC(=O)NNC(=O)Cc2cccc3ccccc32)c1 ZINC001574538054 961928285 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CC(C)c1c(Cl)ncnc1NNC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001591923841 976402240 /nfs/dbraw/zinc/40/22/40/976402240.db2.gz UVRLMYONWZXVDX-XIKOKIGWSA-N -1 0 374.828 2.955 20 50 FFGDRM CC(C)c1noc2ncc(C(=O)NNc3cccc(F)c3C(=O)[O-])cc21 ZINC001592101932 976864383 /nfs/dbraw/zinc/86/43/83/976864383.db2.gz JQQHBHIHQVZVEF-UHFFFAOYSA-N -1 0 358.329 2.940 20 50 FFGDRM C[C@@H](CN(C1CC1)S(=O)(=O)c1ccc(CCCCl)cc1)C(=O)[O-] ZINC000736576506 978343981 /nfs/dbraw/zinc/34/39/81/978343981.db2.gz AEBHACHPEDOVDU-LBPRGKRZSA-N -1 0 359.875 2.732 20 50 FFGDRM CCCc1c(C(=O)NNC(=O)C(C)(C)c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC000737039739 978374373 /nfs/dbraw/zinc/37/43/73/978374373.db2.gz HRFDXVJMERSZFH-UHFFFAOYSA-N -1 0 371.437 2.713 20 50 FFGDRM CN(C)c1cccc(C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)c1 ZINC000737375871 978400973 /nfs/dbraw/zinc/40/09/73/978400973.db2.gz OFTIHIUZODYEDP-UHFFFAOYSA-N -1 0 350.378 2.696 20 50 FFGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cc(C(=O)[O-])co2)c1C ZINC000737825834 978446960 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FFGDRM C[C@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)CC[C@H]1C(=O)[O-] ZINC000785703581 978794456 /nfs/dbraw/zinc/79/44/56/978794456.db2.gz WHODVSVKUWCMGB-SWLSCSKDSA-N -1 0 359.875 2.589 20 50 FFGDRM C[C@H](Oc1ccc(C=NNC(=O)c2cc(Cl)ccc2O)cc1)C(=O)[O-] ZINC000794887771 978825811 /nfs/dbraw/zinc/82/58/11/978825811.db2.gz YLRZLRSJYUOCHH-JTQLQIEISA-N -1 0 362.769 2.661 20 50 FFGDRM O=C([O-])Cn1cc(C=NNC(=O)CCOc2ccccc2)c2ccccc21 ZINC000799878415 978843387 /nfs/dbraw/zinc/84/33/87/978843387.db2.gz XRNFEMFRTJBBLU-UHFFFAOYSA-N -1 0 365.389 2.645 20 50 FFGDRM CC(=NNC(=O)c1cc(Br)cn1C)c1cc(C(=O)[O-])cs1 ZINC000814787442 978885017 /nfs/dbraw/zinc/88/50/17/978885017.db2.gz MSKAVICOWGXNOB-UHFFFAOYSA-N -1 0 370.228 2.701 20 50 FFGDRM O=C([O-])c1cccc(C=NNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000814877324 978895081 /nfs/dbraw/zinc/89/50/81/978895081.db2.gz MNHHTEWJKVGCFR-UHFFFAOYSA-N -1 0 352.325 2.678 20 50 FFGDRM C[C@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)N1CCc2ccccc21 ZINC001592676140 979095130 /nfs/dbraw/zinc/09/51/30/979095130.db2.gz NEVARXHETRAZBD-GFCCVEGCSA-N -1 0 372.400 2.601 20 50 FFGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000833149426 979095934 /nfs/dbraw/zinc/09/59/34/979095934.db2.gz QBVRUTFYRGEPAR-IUCAKERBSA-N -1 0 359.209 2.645 20 50 FFGDRM CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000909759430 981590420 /nfs/dbraw/zinc/59/04/20/981590420.db2.gz QLDQWLUJCNDNEA-WRWORJQWSA-N -1 0 360.170 2.662 20 50 FFGDRM CC[C@@H](C(=O)[O-])C(=O)NNc1cccc(OC(F)F)c1Br ZINC001594755308 981664977 /nfs/dbraw/zinc/66/49/77/981664977.db2.gz GIPFOAYBJXBQTB-ZCFIWIBFSA-N -1 0 367.146 2.604 20 50 FFGDRM Cn1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)n1 ZINC001116389139 982929980 /nfs/dbraw/zinc/92/99/80/982929980.db2.gz QDDBFRIQORHXNT-GXDHUFHOSA-N -1 0 362.345 2.924 20 50 FFGDRM CC(=O)CCc1ccc(OCC(=O)NNc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001589035143 985079895 /nfs/dbraw/zinc/07/98/95/985079895.db2.gz NATJOBSDWFUUJR-UHFFFAOYSA-N -1 0 370.405 2.737 20 50 FFGDRM CCOc1ccc(NNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1 ZINC001597125710 986831767 /nfs/dbraw/zinc/83/17/67/986831767.db2.gz BYAZINBYXNOBKH-UHFFFAOYSA-N -1 0 355.354 2.808 20 50 FFGDRM CCOc1ccc(NNC(=O)NCc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001597126113 986837103 /nfs/dbraw/zinc/83/71/03/986837103.db2.gz VDQLXILXQVWFIH-UHFFFAOYSA-N -1 0 359.382 2.618 20 50 FFGDRM CCOc1nc2cc(C(=O)NNc3ccc(C(=O)[O-])c(F)c3)ccc2[nH]1 ZINC001597196465 987086828 /nfs/dbraw/zinc/08/68/28/987086828.db2.gz KRUZTGZOUWNVFB-UHFFFAOYSA-N -1 0 358.329 2.556 20 50 FFGDRM CCC(=O)Nc1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2C)c1 ZINC001594715886 987189465 /nfs/dbraw/zinc/18/94/65/987189465.db2.gz ZKHJLAAYMXNAOU-UHFFFAOYSA-N -1 0 370.409 2.868 20 50 FFGDRM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001589738290 988001290 /nfs/dbraw/zinc/00/12/90/988001290.db2.gz KQUBXDNXQUHQPL-XHDPSFHLSA-N -1 0 367.421 2.991 20 50 FFGDRM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001589738903 988008254 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C[C@]1(C(=O)[O-])CCCN(C(=O)[C@]2(c3ccccc3)C[C@H]2Br)C1 ZINC001593765787 996442921 /nfs/dbraw/zinc/44/29/21/996442921.db2.gz WXSCHCSCQYALLN-COXVUDFISA-N -1 0 366.255 2.805 20 50 FFGDRM CC1(C)CC[C@H]1NC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001593883798 996718671 /nfs/dbraw/zinc/71/86/71/996718671.db2.gz UPVKEONHKGWXHC-LLVKDONJSA-N -1 0 356.220 2.962 20 50 FFGDRM C[C@]1(CNC(=O)NNc2cccc(C(=O)[O-])c2F)CC1(Cl)Cl ZINC001594019946 997522313 /nfs/dbraw/zinc/52/23/13/997522313.db2.gz GHKBSQQHJKECEM-GFCCVEGCSA-N -1 0 350.177 2.734 20 50 FFGDRM COc1c(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC001599328722 997709955 /nfs/dbraw/zinc/70/99/55/997709955.db2.gz XJJJJGNDXXCJHW-UHFFFAOYSA-N -1 0 366.377 2.644 20 50 FFGDRM COc1c(NC(=O)NN=c2[nH]c3ccncc3s2)cccc1C(=O)[O-] ZINC001599339147 997892252 /nfs/dbraw/zinc/89/22/52/997892252.db2.gz HKMNWCQBMGUGGL-UHFFFAOYSA-N -1 0 359.367 2.547 20 50 FFGDRM COCCN(CC(C)C)NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001599234863 997927288 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COC(=O)c1ccc(NC(=O)NNc2cc(F)ccc2C)cc1C(=O)[O-] ZINC001598981215 998659883 /nfs/dbraw/zinc/65/98/83/998659883.db2.gz NGFNLYXBMIARST-UHFFFAOYSA-N -1 0 361.329 2.768 20 50 FFGDRM CC1CCN(c2ccc(C(=O)NNc3cccc(F)c3C(=O)[O-])cn2)CC1 ZINC001594434341 999613117 /nfs/dbraw/zinc/61/31/17/999613117.db2.gz OEVAIGCTTAJKFA-UHFFFAOYSA-N -1 0 372.400 2.912 20 50 FFGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000833016807 600883336 /nfs/dbraw/zinc/88/33/36/600883336.db2.gz IDWDGHKSDCHNII-UHFFFAOYSA-N -1 0 361.789 2.566 20 50 FFGDRM O=C([O-])Nc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1F ZINC000833287468 601293630 /nfs/dbraw/zinc/29/36/30/601293630.db2.gz IUHRODIAXKBTNR-UHFFFAOYSA-N -1 0 351.721 2.644 20 50 FFGDRM C/C(=C\COC(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C)C(=O)[O-] ZINC000825747292 601409811 /nfs/dbraw/zinc/40/98/11/601409811.db2.gz RXVRBOZINUCFSO-PUVVRQMXSA-N -1 0 372.421 2.765 20 50 FFGDRM Cc1c(/C=C(\C#N)C(=O)OCc2ccc(C(=O)[O-])s2)cc(C#N)n1C ZINC000832853688 602002591 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FFGDRM C[C@H](CC(=O)NNc1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824680307 604580332 /nfs/dbraw/zinc/58/03/32/604580332.db2.gz UABJRXSUMAPYJO-GHMZBOCLSA-N -1 0 374.363 2.960 20 50 FFGDRM C[C@H](CC(=O)NNc1ccc(F)c(F)c1F)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824680407 604580416 /nfs/dbraw/zinc/58/04/16/604580416.db2.gz VHNBOVREDAHAQU-ZJUUUORDSA-N -1 0 359.348 2.963 20 50 FFGDRM O=C([O-])c1cccc(CC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000833765756 604667552 /nfs/dbraw/zinc/66/75/52/604667552.db2.gz KWEMKLYINOHKCW-UHFFFAOYSA-N -1 0 367.188 2.695 20 50 FFGDRM CCc1ccc(-c2cc(C(=O)NN=C3CCC(NC(=O)[O-])CC3)[nH]n2)cc1 ZINC000827568489 604695120 /nfs/dbraw/zinc/69/51/20/604695120.db2.gz CGHPTLNVVGTZPQ-UHFFFAOYSA-N -1 0 369.425 2.935 20 50 FFGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000833406967 605038011 /nfs/dbraw/zinc/03/80/11/605038011.db2.gz KYERRLUJZANOQU-CQSZACIVSA-N -1 0 371.437 2.960 20 50 FFGDRM O=C([O-])NNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000832748454 605187356 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20 50 FFGDRM O=C([O-])N1CCc2ccc(NC(=O)NNc3ncccc3Cl)cc2C1 ZINC000834048521 605657651 /nfs/dbraw/zinc/65/76/51/605657651.db2.gz MQBZZHYWDGUDMX-UHFFFAOYSA-N -1 0 361.789 2.920 20 50 FFGDRM O=C([O-])N1CCOC[C@H]1[C@@H]1CCCC1=NNC(=O)c1cccc(Cl)c1 ZINC000834046051 605741048 /nfs/dbraw/zinc/74/10/48/605741048.db2.gz WTDRJYKZNXVPFS-HIFRSBDPSA-N -1 0 365.817 2.605 20 50 FFGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000833522086 605746605 /nfs/dbraw/zinc/74/66/05/605746605.db2.gz WXPFNECBMYDASK-BWACUDIHSA-N -1 0 355.394 2.964 20 50 FFGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NN=C(c1ccccc1)c1ccccc1 ZINC000834136701 606007723 /nfs/dbraw/zinc/00/77/23/606007723.db2.gz UZQNUSRJDFFNIQ-CQSZACIVSA-N -1 0 361.348 2.847 20 50 FFGDRM CCOc1ccc(C(=O)NN=C2CCCCC[C@H]2NC(=O)[O-])cc1OC ZINC000833862748 606077889 /nfs/dbraw/zinc/07/78/89/606077889.db2.gz NKOGJCKNOWMBFT-CYBMUJFWSA-N -1 0 363.414 2.780 20 50 FFGDRM C=C[C@H](CC(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1)c1ccccc1 ZINC000823883666 607979743 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FFGDRM O=C([O-])c1cncc(NC(=O)[C@]2(c3ccccc3)C[C@@H]2Br)c1 ZINC001595270476 949821899 /nfs/dbraw/zinc/82/18/99/949821899.db2.gz DQQIBARWUGSDMY-BBRMVZONSA-N -1 0 361.195 2.824 20 50 FFGDRM O=C([O-])COc1cccc(C(=O)NNc2ncc(Cl)cc2Cl)c1 ZINC001595123373 951985153 /nfs/dbraw/zinc/98/51/53/951985153.db2.gz VAEQKJBIZNDCBX-UHFFFAOYSA-N -1 0 356.165 2.609 20 50 FFGDRM O=C([O-])c1ccc(NC(=O)NNC(=O)c2ccccc2Cl)c(F)c1 ZINC001594780570 953626285 /nfs/dbraw/zinc/62/62/85/953626285.db2.gz XVEIFABWTDNFGI-UHFFFAOYSA-N -1 0 351.721 2.644 20 50 FFGDRM O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594780602 953627814 /nfs/dbraw/zinc/62/78/14/953627814.db2.gz YWWPAWKKNQATTE-WRXNHJIOSA-N -1 0 351.712 2.848 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(OCc2ccccc2)ccn1 ZINC001594781081 953628841 /nfs/dbraw/zinc/62/88/41/953628841.db2.gz FYJKMVIVXQMJMT-UHFFFAOYSA-N -1 0 364.361 2.511 20 50 FFGDRM CCc1cccc(C)c1NC(=S)NNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001593640099 953636832 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FFGDRM O=C([O-])c1cc(OC(=O)COC/C=C/c2ccccc2)ccc1[N+](=O)[O-] ZINC000833114315 602126338 /nfs/dbraw/zinc/12/63/38/602126338.db2.gz JRRUYJZMTQMJTO-QPJJXVBHSA-N -1 0 357.318 2.928 20 50 FFGDRM COc1ccc(C(=O)NN=Cc2cccc3c2N(C(=O)[O-])CC3)cc1OC ZINC000829284697 603817954 /nfs/dbraw/zinc/81/79/54/603817954.db2.gz NFHQVZFWBOTIII-UHFFFAOYSA-N -1 0 369.377 2.508 20 50 FFGDRM O=C(CCC1CCCCC1)NNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831423910 603877024 /nfs/dbraw/zinc/87/70/24/603877024.db2.gz MQAHKPFUVFMXAD-MQVJKMGUSA-N -1 0 365.474 2.805 20 50 FFGDRM Cc1nc(Cl)cc(NNC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)n1 ZINC000830761400 603919789 /nfs/dbraw/zinc/91/97/89/603919789.db2.gz RTCWLHGLGGSLJZ-OTYXRUKQSA-N -1 0 363.805 2.527 20 50 FFGDRM Cc1ccc(C(=O)NNC(=O)Nc2ccc(N(C)C)cc2)cc1NC(=O)[O-] ZINC000830225487 604033137 /nfs/dbraw/zinc/03/31/37/604033137.db2.gz PRMZQNZABKWGJM-UHFFFAOYSA-N -1 0 371.397 2.617 20 50 FFGDRM Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c(Cl)c1 ZINC000830390023 604033170 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FFGDRM Cc1c(C(=O)NNc2ccccc2C(=O)[O-])nnn1-c1cccc(Cl)c1 ZINC001599982352 986181169 /nfs/dbraw/zinc/18/11/69/986181169.db2.gz QNHMPLSSRUWPFQ-UHFFFAOYSA-N -1 0 371.784 2.684 20 50 FFGDRM CCOc1c(Cl)cc(C(=O)NNc2ccc(C(=O)[O-])cn2)cc1OC ZINC001596987346 986266489 /nfs/dbraw/zinc/26/64/89/986266489.db2.gz WRTYOGLHPDWMHP-UHFFFAOYSA-N -1 0 365.773 2.597 20 50 FFGDRM CCOc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC001597062065 986551586 /nfs/dbraw/zinc/55/15/86/986551586.db2.gz CZMDJAVOJTUMLH-UHFFFAOYSA-N -1 0 363.301 2.588 20 50 FFGDRM C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N1CCc2ccccc2C1 ZINC001589424663 986696204 /nfs/dbraw/zinc/69/62/04/986696204.db2.gz YZZOWTBIEKURJO-GFCCVEGCSA-N -1 0 373.840 2.928 20 50 FFGDRM CCC(=O)N(C)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001594696732 987123966 /nfs/dbraw/zinc/12/39/66/987123966.db2.gz XQMFZRDCLOEVHE-UHFFFAOYSA-N -1 0 356.382 2.906 20 50 FFGDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@@H]3[C@@H](Br)[C@@H]3C2)cc1 ZINC001589507757 987124865 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CC(C)(C)NC(=S)NNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001589832086 988305242 /nfs/dbraw/zinc/30/52/42/988305242.db2.gz OJJGUINSEVJHRD-UHFFFAOYSA-N -1 0 371.462 2.959 20 50 FFGDRM CCc1cccc(C)c1NC(=S)NNC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001597580948 988384825 /nfs/dbraw/zinc/38/48/25/988384825.db2.gz JHOBIKXPQGOEJC-FPLPWBNLSA-N -1 0 373.434 2.880 20 50 FFGDRM C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N(C)C(=O)OC(C)(C)C ZINC001599830921 988672741 /nfs/dbraw/zinc/67/27/41/988672741.db2.gz KWCJEWJCTSKUDJ-VIFPVBQESA-N -1 0 371.821 2.737 20 50 FFGDRM CCc1sc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1Br ZINC001597818358 989452735 /nfs/dbraw/zinc/45/27/35/989452735.db2.gz QQIOEYJLQHVDMK-UHFFFAOYSA-N -1 0 370.228 2.923 20 50 FFGDRM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001598333976 991376686 /nfs/dbraw/zinc/37/66/86/991376686.db2.gz VBKLYBROPAIQPK-LSDHHAIUSA-N -1 0 357.385 2.837 20 50 FFGDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001591051953 991454109 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Cn1cc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1C(=O)[O-] ZINC000833053420 601783827 /nfs/dbraw/zinc/78/38/27/601783827.db2.gz TXWWGNNWSUVFDQ-UHFFFAOYSA-N -1 0 356.831 2.696 20 50 FFGDRM O=C([O-])Nc1ccc(C=NNC(=O)c2ccccc2Br)cn1 ZINC000832840313 603486099 /nfs/dbraw/zinc/48/60/99/603486099.db2.gz HKFKCSYPVVZATN-UHFFFAOYSA-N -1 0 363.171 2.698 20 50 FFGDRM O=C([O-])Nc1ccc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)cn1 ZINC000832841574 603488864 /nfs/dbraw/zinc/48/88/64/603488864.db2.gz YJTXYGAMKHATQC-UHFFFAOYSA-N -1 0 365.296 2.929 20 50 FFGDRM C[C@@H](NC(=O)NNc1cc(F)c(F)c(F)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825172216 604031866 /nfs/dbraw/zinc/03/18/66/604031866.db2.gz RCFNFOQSMWCYGH-RKDXNWHRSA-N -1 0 360.336 2.509 20 50 FFGDRM O=C([O-])NC[C@@H](NC(=O)NNc1ccc(Cl)nc1)C1CCCCC1 ZINC000832427232 604130233 /nfs/dbraw/zinc/13/02/33/604130233.db2.gz HFOFCBMGZKOZCF-GFCCVEGCSA-N -1 0 355.826 2.578 20 50 FFGDRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)cc1 ZINC000825388260 604610616 /nfs/dbraw/zinc/61/06/16/604610616.db2.gz CKYOBOITVFBJLR-NSHDSACASA-N -1 0 373.369 2.750 20 50 FFGDRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCO1 ZINC000825302009 604682733 /nfs/dbraw/zinc/68/27/33/604682733.db2.gz NGDMLVJPTWJTFU-AVGNSLFASA-N -1 0 362.517 2.584 20 50 FFGDRM CC(C)(C)c1ccc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1[N+](=O)[O-] ZINC000833450296 604800185 /nfs/dbraw/zinc/80/01/85/604800185.db2.gz NFDQWYPHHBXSFP-UHFFFAOYSA-N -1 0 358.354 2.742 20 50 FFGDRM CC[C@H](NC(=O)[O-])C(=O)NNc1ccc(Br)cc1Cl ZINC000827525179 605157306 /nfs/dbraw/zinc/15/73/06/605157306.db2.gz ZKQIIXOVSDZPMF-QMMMGPOBSA-N -1 0 350.600 2.592 20 50 FFGDRM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNc1ncccc1C(F)(F)F ZINC000833832396 605316035 /nfs/dbraw/zinc/31/60/35/605316035.db2.gz VWJZPLIYXBLXJX-HZMBPMFUSA-N -1 0 360.336 2.760 20 50 FFGDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNc1ccc(-c2ccccc2)nn1 ZINC000833831224 605317931 /nfs/dbraw/zinc/31/79/31/605317931.db2.gz PVKJQTLQIVHJBN-KUHUBIRLSA-N -1 0 369.425 2.803 20 50 FFGDRM CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccccc1OCC(=O)[O-] ZINC000833384866 605323068 /nfs/dbraw/zinc/32/30/68/605323068.db2.gz OKDCPZVYNDQUIK-UHFFFAOYSA-N -1 0 370.405 2.686 20 50 FFGDRM CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccccc1OCC(=O)[O-] ZINC000833384849 605323694 /nfs/dbraw/zinc/32/36/94/605323694.db2.gz NYRSLCINANZSBX-UHFFFAOYSA-N -1 0 351.362 2.785 20 50 FFGDRM O=C([O-])N1CCC[C@@H](OCC(=O)NNc2cc(Cl)ccc2Cl)C1 ZINC000831517166 605377906 /nfs/dbraw/zinc/37/79/06/605377906.db2.gz PFFLKAZYVCNGKP-SNVBAGLBSA-N -1 0 362.213 2.596 20 50 FFGDRM O=C([O-])N1CCC(NC(=O)NN=Cc2cccc(-c3cccnc3)c2)CC1 ZINC000831736848 605453973 /nfs/dbraw/zinc/45/39/73/605453973.db2.gz WOBMEGVEVDHSOW-UHFFFAOYSA-N -1 0 367.409 2.524 20 50 FFGDRM O=C([O-])N[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000832104162 605563634 /nfs/dbraw/zinc/56/36/34/605563634.db2.gz DWNNUDJPWUSTGK-AWEZNQCLSA-N -1 0 361.785 2.500 20 50 FFGDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NNc2cccc(Br)c2)C1 ZINC000834167171 605715942 /nfs/dbraw/zinc/71/59/42/605715942.db2.gz AEJRMAKMULUDML-MWLCHTKSSA-N -1 0 356.220 2.719 20 50 FFGDRM CC(C)(C)OC(=O)NC1(CC(=O)NNc2cccc(C(=O)[O-])c2)CCC1 ZINC000833440506 605732248 /nfs/dbraw/zinc/73/22/48/605732248.db2.gz JCHSYOWBAWBNPN-UHFFFAOYSA-N -1 0 363.414 2.665 20 50 FFGDRM CC(C)N(CCC(=O)NNc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC000833496456 605734564 /nfs/dbraw/zinc/73/45/64/605734564.db2.gz DPXQGGMQXFFNKA-UHFFFAOYSA-N -1 0 365.430 2.864 20 50 FFGDRM O=C([O-])N[C@H]1CC(=NNC(=O)CCc2ccccc2O)c2ccccc21 ZINC000834156895 605743797 /nfs/dbraw/zinc/74/37/97/605743797.db2.gz DOHIJJWATIPSKO-HNNXBMFYSA-N -1 0 353.378 2.558 20 50 FFGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000833521744 605746541 /nfs/dbraw/zinc/74/65/41/605746541.db2.gz RSSHVQJXMCEZET-CYBMUJFWSA-N -1 0 365.393 2.958 20 50 FFGDRM CC(C)(C)[C@H](Br)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833423080 605778902 /nfs/dbraw/zinc/77/89/02/605778902.db2.gz KYBCLKKQHCCUIT-QWHCGFSZSA-N -1 0 354.244 2.834 20 50 FFGDRM C[C@H](CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)CC(C)(C)C ZINC000824385470 608576782 /nfs/dbraw/zinc/57/67/82/608576782.db2.gz UUWWMKBFLIZPCG-SECBINFHSA-N -1 0 351.842 2.821 20 50 FFGDRM C[C@@H](CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccccc1 ZINC000824385166 608579426 /nfs/dbraw/zinc/57/94/26/608579426.db2.gz NJOCUGVSHNEYOK-JTQLQIEISA-N -1 0 357.805 2.552 20 50 FFGDRM Cc1ccc(/C=C/CC(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)cc1 ZINC000826285471 608627620 /nfs/dbraw/zinc/62/76/20/608627620.db2.gz APEPBFVVVQPBKL-NSCUHMNNSA-N -1 0 369.816 2.770 20 50 FFGDRM O=C([O-])CCC(=O)NNc1cc(C(F)(F)F)ccc1Br ZINC001594996669 951088459 /nfs/dbraw/zinc/08/84/59/951088459.db2.gz HBBBOHHXJHXCKX-UHFFFAOYSA-N -1 0 355.110 2.776 20 50 FFGDRM O=C([O-])Cc1cccc(NC(=O)NNc2cccc(Br)n2)c1 ZINC001595131706 952035285 /nfs/dbraw/zinc/03/52/85/952035285.db2.gz FXCCWUWGALECFC-UHFFFAOYSA-N -1 0 365.187 2.620 20 50 FFGDRM O=C([O-])Cc1cccc(NC(=O)N[N-]C(=O)c2cc3ccccc3o2)c1 ZINC001595132062 952038875 /nfs/dbraw/zinc/03/88/75/952038875.db2.gz ZSVYLUNODLNDLO-UHFFFAOYSA-N -1 0 353.334 2.526 20 50 FFGDRM O=C([O-])c1cncc(NC(=O)NNc2ccc(F)cc2Br)c1 ZINC001594779665 953617580 /nfs/dbraw/zinc/61/75/80/953617580.db2.gz BDDQVGQHVBEMBS-UHFFFAOYSA-N -1 0 369.150 2.830 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cc(-c2ccccc2F)on1 ZINC001594781465 953633128 /nfs/dbraw/zinc/63/31/28/953633128.db2.gz AAUFQVMCYZKMIM-UHFFFAOYSA-N -1 0 357.301 2.723 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC001594781908 953638519 /nfs/dbraw/zinc/63/85/19/953638519.db2.gz XUHBHMYRFIWUCG-UHFFFAOYSA-N -1 0 357.757 2.580 20 50 FFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Nc1ccccc1Br ZINC001594782220 953642960 /nfs/dbraw/zinc/64/29/60/953642960.db2.gz SSJOBPSSTZRZKG-UHFFFAOYSA-N -1 0 351.160 2.691 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)C(=Cc1ccccc1)C(F)(F)F ZINC001594782215 953643163 /nfs/dbraw/zinc/64/31/63/953643163.db2.gz SMBVMPANBJUNJI-XFXZXTDPSA-N -1 0 351.284 2.869 20 50 FFGDRM O=C([O-])COc1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)c1 ZINC000739826572 955256390 /nfs/dbraw/zinc/25/63/90/955256390.db2.gz XZUUZWRCAYYOMK-UHFFFAOYSA-N -1 0 354.284 2.926 20 50 FFGDRM CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(C(=O)[O-])c2)cc1 ZINC000774122170 955326312 /nfs/dbraw/zinc/32/63/12/955326312.db2.gz YSQZUDSVENGJRG-LFIBNONCSA-N -1 0 363.373 2.632 20 50 FFGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])C(C)C)c1C ZINC000820710025 955476752 /nfs/dbraw/zinc/47/67/52/955476752.db2.gz FGXJTJAALGLTQO-XPGOGFAUSA-N -1 0 361.442 2.541 20 50 FFGDRM C[C@H](Oc1cccc2ccccc21)C(=O)NNc1ncccc1C(=O)[O-] ZINC001589167421 956432790 /nfs/dbraw/zinc/43/27/90/956432790.db2.gz LWWLHMPONSZKPQ-LBPRGKRZSA-N -1 0 351.362 2.844 20 50 FFGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@H]2CC(=O)[O-])c1C ZINC001594024898 957702911 /nfs/dbraw/zinc/70/29/11/957702911.db2.gz ZZNBBOWZGTUDKP-PNDHZVEESA-N -1 0 373.453 2.514 20 50 FFGDRM Cc1cc(C)c(NNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)c(C)c1 ZINC001594296081 957871311 /nfs/dbraw/zinc/87/13/11/957871311.db2.gz BNYHCFJBJKJVRL-QGZVFWFLSA-N -1 0 366.421 2.774 20 50 FFGDRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1 ZINC001574462250 961538636 /nfs/dbraw/zinc/53/86/36/961538636.db2.gz HAJAHJRMUDDPLH-LBPRGKRZSA-N -1 0 367.522 2.745 20 50 FFGDRM O=C([O-])c1ccc(/C=C/C(=O)NNC(=S)Nc2cccc(Cl)c2)o1 ZINC001574514279 961837668 /nfs/dbraw/zinc/83/76/68/961837668.db2.gz ZCLPBUSOLDUZNX-FNORWQNLSA-N -1 0 365.798 2.662 20 50 FFGDRM CC(C)C[C@@H](CNC(=O)NNc1cc(Cl)nc2ncccc12)C(=O)[O-] ZINC001588852958 961952174 /nfs/dbraw/zinc/95/21/74/961952174.db2.gz MGILXOQEVMSPGB-JTQLQIEISA-N -1 0 365.821 2.656 20 50 FFGDRM CC(C)[C@H](CNC(=O)NNc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000848591151 969267389 /nfs/dbraw/zinc/26/73/89/969267389.db2.gz ZFHYTYKIAOFAQR-VIFPVBQESA-N -1 0 362.199 2.571 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC001605820837 972548855 /nfs/dbraw/zinc/54/88/55/972548855.db2.gz HBSFCKYNPLWZIT-UHFFFAOYSA-N -1 0 369.406 2.976 20 50 FFGDRM Cc1c(Br)ccc(C(=O)NNc2ncccc2C(=O)[O-])c1F ZINC001605067228 972695647 /nfs/dbraw/zinc/69/56/47/972695647.db2.gz QOHBYFGQEVSGSO-UHFFFAOYSA-N -1 0 368.162 2.747 20 50 FFGDRM Cc1cc(Br)cnc1NNC(=O)C=Cc1ccc(C(=O)[O-])o1 ZINC001605102256 972759151 /nfs/dbraw/zinc/75/91/51/972759151.db2.gz RHUDRBGQLKHLRW-HWKANZROSA-N -1 0 366.171 2.600 20 50 FFGDRM COc1ccc(C(=O)NNc2ncccc2C(=O)[O-])cc1-c1ccccn1 ZINC001604763984 973983404 /nfs/dbraw/zinc/98/34/04/973983404.db2.gz VZJHCQBPFBKQCK-UHFFFAOYSA-N -1 0 364.361 2.607 20 50 FFGDRM CC(C)Oc1c(NC(=O)NNC(=O)c2ccccc2)cccc1C(=O)[O-] ZINC001591747173 975789568 /nfs/dbraw/zinc/78/95/68/975789568.db2.gz KELKXHVUAJJQOW-UHFFFAOYSA-N -1 0 357.366 2.639 20 50 FFGDRM COc1cc(Cl)ccc1C(=O)NNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737888208 978453683 /nfs/dbraw/zinc/45/36/83/978453683.db2.gz CCNLSPIFNXUNQS-UHFFFAOYSA-N -1 0 363.757 2.513 20 50 FFGDRM COc1ccc(C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)cc1OC ZINC000737926166 978459207 /nfs/dbraw/zinc/45/92/07/978459207.db2.gz NBYRTWTXJXJSGP-UHFFFAOYSA-N -1 0 367.361 2.647 20 50 FFGDRM O=C([O-])[C@@H](NNC(=O)c1cc(F)ccc1Br)c1ccccc1 ZINC000738507059 978548736 /nfs/dbraw/zinc/54/87/36/978548736.db2.gz VJDCXRPPVVSXRC-ZDUSSCGKSA-N -1 0 367.174 2.649 20 50 FFGDRM O=C([O-])[C@H](NNC(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000738506640 978549006 /nfs/dbraw/zinc/54/90/06/978549006.db2.gz FCPUHHYQJGIXFH-CYBMUJFWSA-N -1 0 367.174 2.649 20 50 FFGDRM O=C([O-])[C@H]1CC12CCN(S(=O)(=O)c1ccc(CCCCl)cc1)CC2 ZINC000739537630 978643971 /nfs/dbraw/zinc/64/39/71/978643971.db2.gz YOSFINNFOSHWOM-OAHLLOKOSA-N -1 0 371.886 2.733 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2ccc(C(F)(F)F)nc2)ccc1[N+](=O)[O-] ZINC000740307412 978675015 /nfs/dbraw/zinc/67/50/15/978675015.db2.gz MSEMZYVVIKEIBX-UHFFFAOYSA-N -1 0 356.212 2.926 20 50 FFGDRM O=C([O-])c1cccc(C=NNC(=O)COc2cccc(C(F)(F)F)c2)c1 ZINC000814718234 978876253 /nfs/dbraw/zinc/87/62/53/978876253.db2.gz OFDIISLJUQICPF-UHFFFAOYSA-N -1 0 366.295 2.933 20 50 FFGDRM CC(=NNC(=O)c1cc(N)cc([N+](=O)[O-])c1)[C@H](C)CCCCC(=O)[O-] ZINC000814753246 978880819 /nfs/dbraw/zinc/88/08/19/978880819.db2.gz RNKAILCHXXNSKN-SNVBAGLBSA-N -1 0 350.375 2.564 20 50 FFGDRM C[C@H](NC(=O)C1CCCCC1)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001593006874 980223206 /nfs/dbraw/zinc/22/32/06/980223206.db2.gz GHKCTLPVAIHOBS-JTQLQIEISA-N -1 0 367.833 2.566 20 50 FFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC000911616195 982550518 /nfs/dbraw/zinc/55/05/18/982550518.db2.gz KLIGZQLWXXVSOL-WFASDCNBSA-N -1 0 357.248 2.697 20 50 FFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@]2(COC)C(=O)[O-])c1C ZINC001596108416 983434284 /nfs/dbraw/zinc/43/42/84/983434284.db2.gz ZKMKEKVJPGDWOJ-FVECTHPASA-N -1 0 373.453 2.514 20 50 FFGDRM CCOC(=O)Oc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001596671452 984741016 /nfs/dbraw/zinc/74/10/16/984741016.db2.gz ABVJTGZBTYLJQO-UHFFFAOYSA-N -1 0 362.313 2.816 20 50 FFGDRM CC(=O)N[C@H](CC(=O)NNc1ccc(C)c(C(=O)[O-])c1)c1ccc(C)cc1 ZINC001589111326 985349905 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CC[C@@H](C(=O)NNc1ccc(F)c(C(=O)[O-])c1)N(C)C(=O)OC(C)(C)C ZINC001594736549 987278860 /nfs/dbraw/zinc/27/88/60/987278860.db2.gz NZYQBKZKFFORGN-ZDUSSCGKSA-N -1 0 369.393 2.613 20 50 FFGDRM C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001589553256 987289935 /nfs/dbraw/zinc/28/99/35/987289935.db2.gz MMNPHXNSXJUDAU-SECBINFHSA-N -1 0 360.278 2.910 20 50 FFGDRM CC(C)(C(=O)[O-])[C@H](NC(=O)NN=c1ncc(Cl)c[nH]1)c1ccccc1 ZINC001589599016 987421025 /nfs/dbraw/zinc/42/10/25/987421025.db2.gz RUMVKDJMHKVBDU-GFCCVEGCSA-N -1 0 363.805 2.608 20 50 FFGDRM CCc1[nH]c(C(=O)NNc2cc(Cl)nc3ncccc23)c(C)c1C(=O)[O-] ZINC001597383513 987584009 /nfs/dbraw/zinc/58/40/09/987584009.db2.gz AZUOYPBSVROBQC-UHFFFAOYSA-N -1 0 373.800 2.937 20 50 FFGDRM CC(C)(C(=O)[O-])n1cc(NC(=O)NNc2cccc(F)c2Cl)cn1 ZINC001589666692 987656314 /nfs/dbraw/zinc/65/63/14/987656314.db2.gz NLPJQRPUUFZEIM-UHFFFAOYSA-N -1 0 355.757 2.644 20 50 FFGDRM CCc1ccc([C@H](COC)NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)o1 ZINC001597512843 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CCCCC[C@@H](C)CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825267155 608578243 /nfs/dbraw/zinc/57/82/43/608578243.db2.gz JALKNZNQXJDHEH-SNVBAGLBSA-N -1 0 351.842 2.965 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1cccnc1SC(F)(F)F ZINC001595262036 949678529 /nfs/dbraw/zinc/67/85/29/949678529.db2.gz OONGCLJEQJSBIB-UHFFFAOYSA-N -1 0 358.301 2.544 20 50 FFGDRM O=C([O-])[C@H]1C[C@@H](NC(=O)NNc2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC001594780032 953620643 /nfs/dbraw/zinc/62/06/43/953620643.db2.gz FWCIBQNQWBQDCO-SWLSCSKDSA-N -1 0 374.328 2.673 20 50 FFGDRM CCc1cccc(C)c1NC(=S)NNC(=O)Cc1ccccc1C(=O)[O-] ZINC001593640344 953640209 /nfs/dbraw/zinc/64/02/09/953640209.db2.gz XRUKYSKOLGUXNR-UHFFFAOYSA-N -1 0 371.462 2.816 20 50 FFGDRM CC[C@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C\c1cc(C)n(C[C@@H]2CCCO2)c1C ZINC001589430178 954645202 /nfs/dbraw/zinc/64/52/02/954645202.db2.gz MEFITZCKJFMDLM-ARLDCUANSA-N -1 0 373.453 2.513 20 50 FFGDRM CC[C@@H](CNC(=O)NNc1ccc(Br)cc1Cl)C(=O)[O-] ZINC001589538220 955177199 /nfs/dbraw/zinc/17/71/99/955177199.db2.gz FILOIZCHSTZAJL-ZETCQYMHSA-N -1 0 364.627 2.839 20 50 FFGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1C ZINC000737747946 955224429 /nfs/dbraw/zinc/22/44/29/955224429.db2.gz PMWZFIRLZHLPHH-YFFQGZOTSA-N -1 0 373.453 2.543 20 50 FFGDRM Cc1cc(/C=C(\C#N)C(=O)N(CC(=O)[O-])C(C)C)c(C)n1C[C@H]1CCCO1 ZINC000820972764 955485252 /nfs/dbraw/zinc/48/52/52/955485252.db2.gz VVTGIBCINJCHHW-JIARHERNSA-N -1 0 373.453 2.513 20 50 FFGDRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CCCC[C@H]1CCSS1 ZINC000848458121 955749114 /nfs/dbraw/zinc/74/91/14/955749114.db2.gz OIGITAPQOAWASU-UONOGXRCSA-N -1 0 354.497 2.908 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])CC2CC2)c1C ZINC001593956153 956426762 /nfs/dbraw/zinc/42/67/62/956426762.db2.gz KYMASGAPFWGOJX-RQRKTLAASA-N -1 0 373.453 2.543 20 50 FFGDRM COCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@H]2CC(=O)[O-])c1C ZINC001594024899 957703385 /nfs/dbraw/zinc/70/33/85/957703385.db2.gz ZZNBBOWZGTUDKP-RLGUWMIQSA-N -1 0 373.453 2.514 20 50 FFGDRM Cc1cc(/C=C(\C#N)C(=O)NCCC(=O)[O-])c(C)n1-c1ccccc1F ZINC001594301166 957911507 /nfs/dbraw/zinc/91/15/07/957911507.db2.gz MWOCJVFHBKCKRN-XNTDXEJSSA-N -1 0 355.369 2.731 20 50 FFGDRM C#CCN(CC(=O)[O-])C(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C ZINC001573319083 958470171 /nfs/dbraw/zinc/47/01/71/958470171.db2.gz UZNMCMLWXXBTAF-WQRHYEAKSA-N -1 0 355.438 2.604 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(F)c(F)cc1Br ZINC001574578268 962085926 /nfs/dbraw/zinc/08/59/26/962085926.db2.gz CHRXDNGLYZUSSZ-UHFFFAOYSA-N -1 0 372.125 2.577 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c1C ZINC001574118332 962471423 /nfs/dbraw/zinc/47/14/23/962471423.db2.gz JRICYCCXPCRKPM-FMGUIHAWSA-N -1 0 373.453 2.683 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001605820757 972547679 /nfs/dbraw/zinc/54/76/79/972547679.db2.gz CHXOYUHSNLEDPK-UHFFFAOYSA-N -1 0 367.321 2.990 20 50 FFGDRM Cc1ccc(C)c(NC(=S)NNC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001605141490 972821032 /nfs/dbraw/zinc/82/10/32/972821032.db2.gz XNCPFUFACZTMTE-UHFFFAOYSA-N -1 0 357.435 2.941 20 50 FFGDRM Cc1ccc(C)c(NC(=S)NNC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001605254413 973017120 /nfs/dbraw/zinc/01/71/20/973017120.db2.gz CXFFVVHNXSCNOZ-AATRIKPKSA-N -1 0 359.407 2.626 20 50 FFGDRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)Cc2ccccc21 ZINC001606048852 973158801 /nfs/dbraw/zinc/15/88/01/973158801.db2.gz YTBQBOQJHHEXAH-INIZCTEOSA-N -1 0 365.838 2.798 20 50 FFGDRM Cc1ccnc(-c2cccc(NC(=O)NNc3ncccc3C(=O)[O-])c2)n1 ZINC001605359549 973279448 /nfs/dbraw/zinc/27/94/48/973279448.db2.gz FUXRNTMRJMUQRK-UHFFFAOYSA-N -1 0 364.365 2.694 20 50 FFGDRM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NNc1ncccc1C(=O)[O-] ZINC001603516140 973528693 /nfs/dbraw/zinc/52/86/93/973528693.db2.gz NCLGDRPGKXHQCK-NSHDSACASA-N -1 0 368.397 2.561 20 50 FFGDRM CC[C@]1(C)Oc2ccc(NC(=O)NNc3ncccc3C(=O)[O-])cc2O1 ZINC001603612051 973892986 /nfs/dbraw/zinc/89/29/86/973892986.db2.gz WEQPLZJYBMRWOV-QGZVFWFLSA-N -1 0 358.354 2.826 20 50 FFGDRM COc1ccc(C(=O)NNc2ncccc2C(=O)[O-])cc1OC1CCCC1 ZINC001604763875 973982283 /nfs/dbraw/zinc/98/22/83/973982283.db2.gz JOYAXWVXDUGCOY-UHFFFAOYSA-N -1 0 371.393 2.867 20 50 FFGDRM CC(C)c1ncc(Cl)c(C(=O)NNc2cccc(F)c2C(=O)[O-])n1 ZINC001592032986 976746606 /nfs/dbraw/zinc/74/66/06/976746606.db2.gz BPSVNGYHBZRDTH-UHFFFAOYSA-N -1 0 352.753 2.848 20 50 FFGDRM CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC000736122467 978304173 /nfs/dbraw/zinc/30/41/73/978304173.db2.gz VLEFYQQQVIKSFB-UHFFFAOYSA-N -1 0 354.406 2.968 20 50 FFGDRM CC(C)(C)c1ccc(C(=O)NN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736297116 978317972 /nfs/dbraw/zinc/31/79/72/978317972.db2.gz NYKAMOPAAHLUTQ-QGZVFWFLSA-N -1 0 351.406 2.916 20 50 FFGDRM COc1ccc(CCC(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)cc1 ZINC000737986891 978464147 /nfs/dbraw/zinc/46/41/47/978464147.db2.gz LRZJCMXMSKNRSB-UHFFFAOYSA-N -1 0 365.389 2.958 20 50 FFGDRM COc1cccc(SCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738112460 978479511 /nfs/dbraw/zinc/47/95/11/978479511.db2.gz NTEIXROHGALXJD-UHFFFAOYSA-N -1 0 363.347 2.999 20 50 FFGDRM COc1ccccc1C(=O)NN=Cc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000738114636 978480491 /nfs/dbraw/zinc/48/04/91/978480491.db2.gz ACZRVVUIGXKCII-UHFFFAOYSA-N -1 0 356.378 2.539 20 50 FFGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000738249939 978507037 /nfs/dbraw/zinc/50/70/37/978507037.db2.gz BXGFHZGTEJEYAK-AYCSXLNKSA-N -1 0 351.406 2.899 20 50 FFGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)n1CC(C)C ZINC000738378398 978528261 /nfs/dbraw/zinc/52/82/61/978528261.db2.gz FVZUUUGDUWZCIO-BZMUBCNJSA-N -1 0 357.454 2.991 20 50 FFGDRM O=C([O-])NCCC(=O)NNc1c(Cl)cc(Br)cc1Cl ZINC000738656865 978581820 /nfs/dbraw/zinc/58/18/20/978581820.db2.gz IPXOILUZIYHMQZ-UHFFFAOYSA-N -1 0 371.018 2.857 20 50 FFGDRM O=C([O-])[C@H]1C[C@@H]1C(=O)NNc1ccc(Br)cc1C(F)(F)F ZINC000739550132 978644878 /nfs/dbraw/zinc/64/48/78/978644878.db2.gz WBNBIGFFRVEOMN-BQBZGAKWSA-N -1 0 367.121 2.632 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2ccc3c(c2)NC(=O)CS3)ccc1[N+](=O)[O-] ZINC000740308007 978675354 /nfs/dbraw/zinc/67/53/54/978675354.db2.gz ZVOFWMADPBGKPX-UHFFFAOYSA-N -1 0 374.330 2.556 20 50 FFGDRM C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(C(=O)[O-])[nH]1 ZINC000749809923 978689367 /nfs/dbraw/zinc/68/93/67/978689367.db2.gz MNFCLRZCIXLLHR-GFCCVEGCSA-N -1 0 351.362 2.784 20 50 FFGDRM C[C@H]1C(=NNC(=O)CSc2nc3ccccc3n2C)CC[C@@H]1CC(=O)[O-] ZINC000814874482 978895283 /nfs/dbraw/zinc/89/52/83/978895283.db2.gz SCWGXYGGLYSNGE-VXGBXAGGSA-N -1 0 374.466 2.658 20 50 FFGDRM CCC(CC)(C(=O)NNc1ccccc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001595041717 979227734 /nfs/dbraw/zinc/22/77/34/979227734.db2.gz VMJXRFZBCPQWHC-UHFFFAOYSA-N -1 0 350.415 2.976 20 50 FFGDRM CCCC(=O)Nc1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC001595531230 981366486 /nfs/dbraw/zinc/36/64/86/981366486.db2.gz FVOAJXZTYAUKKA-UHFFFAOYSA-N -1 0 370.409 2.950 20 50 FFGDRM CCCCOc1cccc(NC(=O)C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC001595780530 982549766 /nfs/dbraw/zinc/54/97/66/982549766.db2.gz FEFXFNHBWGHFTL-UHFFFAOYSA-N -1 0 371.393 2.646 20 50 FFGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)c1C ZINC001595803163 982623273 /nfs/dbraw/zinc/62/32/73/982623273.db2.gz ONRQWGPNZSDVAB-KDMTZKAISA-N -1 0 373.453 2.514 20 50 FFGDRM CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000916340388 982674445 /nfs/dbraw/zinc/67/44/45/982674445.db2.gz IBKBWIWCIKDHEQ-ZDUSSCGKSA-N -1 0 356.378 2.701 20 50 FFGDRM CC[C@@H](C)c1nc(C)c(CC(=O)NNc2ccccc2C(=O)[O-])c(C)n1 ZINC001595015109 982958600 /nfs/dbraw/zinc/95/86/00/982958600.db2.gz FEBKAGCXXRIJID-LLVKDONJSA-N -1 0 356.426 2.991 20 50 FFGDRM C[C@H]1CN(C(=O)[C@]2(c3ccccc3)C[C@@H]2Br)C[C@]1(C)C(=O)[O-] ZINC001599915486 985049778 /nfs/dbraw/zinc/04/97/78/985049778.db2.gz ZWPRYICCRKAVLX-SCTFDZSOSA-N -1 0 366.255 2.661 20 50 FFGDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)[C@@H](Br)C(C)(C)C ZINC001596908422 985907922 /nfs/dbraw/zinc/90/79/22/985907922.db2.gz VOJMAYGMBCCSER-NWDGAFQWSA-N -1 0 366.296 2.772 20 50 FFGDRM CCOCc1ccc(CNC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001596964068 986165937 /nfs/dbraw/zinc/16/59/37/986165937.db2.gz GICTVVPNKUAUSM-UHFFFAOYSA-N -1 0 361.373 2.887 20 50 FFGDRM Cc1c(C(=O)[O-])cc(C=NNC(=O)c2cccc(Br)c2)n1C ZINC001599984693 986213542 /nfs/dbraw/zinc/21/35/42/986213542.db2.gz ZCYRPZGFGDFIED-UHFFFAOYSA-N -1 0 364.199 2.558 20 50 FFGDRM CC(C)(C(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001589574656 987347587 /nfs/dbraw/zinc/34/75/87/987347587.db2.gz CRHBSXLSGGTUCZ-UHFFFAOYSA-N -1 0 361.329 2.853 20 50 FFGDRM CCc1oc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)cc1C(=O)[O-] ZINC001597791876 989328198 /nfs/dbraw/zinc/32/81/98/989328198.db2.gz WURCVSUIPCTKFQ-MDWZMJQESA-N -1 0 354.362 2.772 20 50 FFGDRM CCc1oc(C=NNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1C(=O)[O-] ZINC001597792710 989334655 /nfs/dbraw/zinc/33/46/55/989334655.db2.gz GREFYHBLGOYCSR-UHFFFAOYSA-N -1 0 370.340 2.833 20 50 FFGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])no2)C1 ZINC001590451557 990014376 /nfs/dbraw/zinc/01/43/76/990014376.db2.gz NFKSIUHVFOMDHT-LLVKDONJSA-N -1 0 354.479 2.999 20 50 FFGDRM CN(C(=O)C1CC1)c1ccccc1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001597996802 990106060 /nfs/dbraw/zinc/10/60/60/990106060.db2.gz FZJFJDHBIBBRDQ-UHFFFAOYSA-N -1 0 371.368 2.654 20 50 FFGDRM COc1cccc([C@H]2C[C@H](NC(=O)NNc3cccc(C(=O)[O-])c3)C2)c1 ZINC001599687540 991010005 /nfs/dbraw/zinc/01/00/05/991010005.db2.gz OSICUURMOACUBQ-KOMQPUFPSA-N -1 0 355.394 2.966 20 50 FFGDRM CN(C)N(C(=O)C[C@H]1CCc2ccccc21)c1nc(CC(=O)[O-])cs1 ZINC001598255340 991059551 /nfs/dbraw/zinc/05/95/51/991059551.db2.gz DJSICECOSTWZOP-CYBMUJFWSA-N -1 0 359.451 2.700 20 50 FFGDRM CC(C)[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1cccnc1 ZINC001590983220 991158714 /nfs/dbraw/zinc/15/87/14/991158714.db2.gz FCZASGFTMRXQKB-OAHLLOKOSA-N -1 0 360.389 2.985 20 50 FFGDRM C[S@@](=O)c1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001599778676 992337727 /nfs/dbraw/zinc/33/77/27/992337727.db2.gz PZOJXEOKARYXAJ-HSZRJFAPSA-N -1 0 352.799 2.533 20 50 FFGDRM C[C@@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC001593102078 993740487 /nfs/dbraw/zinc/74/04/87/993740487.db2.gz OSHYCRWLQTUYHM-MRVPVSSYSA-N -1 0 374.328 2.758 20 50 FFGDRM COc1ccc2[nH]cc(CC(=O)NNc3cccc(F)c3C(=O)[O-])c2c1 ZINC001599623599 994117517 /nfs/dbraw/zinc/11/75/17/994117517.db2.gz ZELOSNWCISEZCA-UHFFFAOYSA-N -1 0 357.341 2.700 20 50 FFGDRM COc1cccc(CO[C@@H](C)C(=O)NNc2cccc(C(=O)[O-])c2C)c1 ZINC001599675050 994884096 /nfs/dbraw/zinc/88/40/96/994884096.db2.gz IHJQARMLHHVJJZ-ZDUSSCGKSA-N -1 0 358.394 2.750 20 50 FFGDRM C[C@@H](Oc1cccc(Cl)c1)C(=O)NN[C@@H](C(=O)[O-])c1ccsc1 ZINC001593639290 995940893 /nfs/dbraw/zinc/94/08/93/995940893.db2.gz HPTUVHHXVICEPI-NOZJJQNGSA-N -1 0 354.815 2.616 20 50 FFGDRM COc1ccc(C(=O)NN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC001599483530 996806093 /nfs/dbraw/zinc/80/60/93/996806093.db2.gz BCBPZHIAGBBUIF-CQSZACIVSA-N -1 0 368.311 2.774 20 50 FFGDRM COc1cc(C)c(NC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1OC ZINC001599392784 997068677 /nfs/dbraw/zinc/06/86/77/997068677.db2.gz HRFYXODTJSHNFA-UHFFFAOYSA-N -1 0 363.345 2.998 20 50 FFGDRM COc1cc(CCNC(=O)NNc2cccc(C(=O)[O-])c2F)ccc1C ZINC001599404732 997276156 /nfs/dbraw/zinc/27/61/56/997276156.db2.gz YNQPIKQUGLQDHW-UHFFFAOYSA-N -1 0 361.373 2.710 20 50 FFGDRM C[C@]1(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)C[C@H]1Br ZINC001594020443 997528353 /nfs/dbraw/zinc/52/83/53/997528353.db2.gz MSPPXBGIPURTLL-IUODEOHRSA-N -1 0 355.232 2.999 20 50 FFGDRM COc1cc(Cl)cc(C(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)c1 ZINC001599420006 997577006 /nfs/dbraw/zinc/57/70/06/997577006.db2.gz UCJJPKOXSWJJIV-UHFFFAOYSA-N -1 0 369.830 2.556 20 50 FFGDRM COc1cc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)ccc1C(=O)[O-] ZINC001599438317 997888203 /nfs/dbraw/zinc/88/82/03/997888203.db2.gz QGFDHOQBPDNVHK-SMDDNHRTSA-N -1 0 357.204 2.688 20 50 FFGDRM COc1cc(NC(=O)NNc2ccnc(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC001599439673 997911104 /nfs/dbraw/zinc/91/11/04/997911104.db2.gz LNQBVSGMGYKOFM-UHFFFAOYSA-N -1 0 370.287 2.956 20 50 FFGDRM COC(=O)c1cc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)ccc1F ZINC001598946906 998073755 /nfs/dbraw/zinc/07/37/55/998073755.db2.gz KGRJPIQZLFPBFQ-UHFFFAOYSA-N -1 0 365.292 2.598 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC001599376146 998489675 /nfs/dbraw/zinc/48/96/75/998489675.db2.gz LOPUJRGIRDRXAV-QRWLVFNGSA-N -1 0 352.390 2.741 20 50 FFGDRM COC(=O)c1ccc(NNC(=O)c2cccc(CC(=O)[O-])c2)cc1Cl ZINC001598982939 998674657 /nfs/dbraw/zinc/67/46/57/998674657.db2.gz PGKNKOTULPTMNF-UHFFFAOYSA-N -1 0 362.769 2.511 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2ccc(Br)nc2)ccc1[N+](=O)[O-] ZINC000833352893 601058737 /nfs/dbraw/zinc/05/87/37/601058737.db2.gz CQTCRVOBJSFEEP-UHFFFAOYSA-N -1 0 367.111 2.670 20 50 FFGDRM Cc1ccc(NC(=O)NNC(=O)NCC2(C(=O)[O-])CCCC2)c(Cl)c1 ZINC000832948331 601423173 /nfs/dbraw/zinc/42/31/73/601423173.db2.gz FZJFUQACKCQXQF-UHFFFAOYSA-N -1 0 368.821 2.629 20 50 FFGDRM CCc1ccc(C(=O)NNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000827576439 603227275 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O=C([O-])c1cc(OC(=O)c2csc([C@@H]3CCCO3)n2)ccc1[N+](=O)[O-] ZINC000833785653 604621265 /nfs/dbraw/zinc/62/12/65/604621265.db2.gz LNSXFLRBQQAIRH-LBPRGKRZSA-N -1 0 364.335 2.820 20 50 FFGDRM CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1ccc(C(=O)[O-])cc1 ZINC000825804484 604638701 /nfs/dbraw/zinc/63/87/01/604638701.db2.gz KGLUEWXZVXDPFQ-UHFFFAOYSA-N -1 0 350.334 2.589 20 50 FFGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C2(C(=O)[O-])CCCC2)c1C ZINC000831801175 604723391 /nfs/dbraw/zinc/72/33/91/604723391.db2.gz ZIYRSLUVXCOPBH-ATVHPVEESA-N -1 0 373.453 2.514 20 50 FFGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNc1ccc(OCC(F)(F)F)cc1 ZINC000833479512 604939075 /nfs/dbraw/zinc/93/90/75/604939075.db2.gz MXVDLZCBCGBBKF-LBPRGKRZSA-N -1 0 363.336 2.753 20 50 FFGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)CCSc1ccc(F)cc1 ZINC000833406483 605039182 /nfs/dbraw/zinc/03/91/82/605039182.db2.gz HAWJLTLLYOTISG-LBPRGKRZSA-N -1 0 363.414 2.905 20 50 FFGDRM C[C@H](CC(=O)NN=c1nc[nH]c2ccsc21)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824679191 605125167 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373.384 2.903 20 50 FFGDRM N#Cc1cc(Cl)nc(NNC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000833970864 605515464 /nfs/dbraw/zinc/51/54/64/605515464.db2.gz VNRGTOJYUZFSOC-ZDUSSCGKSA-N -1 0 373.800 2.839 20 50 FFGDRM CNC(=O)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1Cl ZINC000833700916 605709590 /nfs/dbraw/zinc/70/95/90/605709590.db2.gz VIXOTZPCYVECFS-UHFFFAOYSA-N -1 0 362.773 2.546 20 50 FFGDRM Cc1nc(C)n(-c2ccccc2NC(=O)NNc2cccc(C(=O)[O-])c2)n1 ZINC000833755743 605714529 /nfs/dbraw/zinc/71/45/29/605714529.db2.gz ZPIWKQOKCOAPPO-UHFFFAOYSA-N -1 0 366.381 2.731 20 50 FFGDRM O=C([O-])N[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000834121355 605714786 /nfs/dbraw/zinc/71/47/86/605714786.db2.gz LDRFTJFYDVKCNU-ZDUSSCGKSA-N -1 0 364.745 2.700 20 50 FFGDRM CC(=O)CCc1ccc(O[C@@H](C)C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833388656 605730330 /nfs/dbraw/zinc/73/03/30/605730330.db2.gz UUFQCCUDOUSQCM-AWEZNQCLSA-N -1 0 370.405 2.817 20 50 FFGDRM Cc1nc2ccccc2n1CCCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833755768 605740878 /nfs/dbraw/zinc/74/08/78/605740878.db2.gz ASDKUOZXDYFSLP-UHFFFAOYSA-N -1 0 367.409 2.759 20 50 FFGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(-n2ccnc2)c1 ZINC000833520232 605743701 /nfs/dbraw/zinc/74/37/01/605743701.db2.gz BUIKNAUDVCOEAX-CYBMUJFWSA-N -1 0 365.393 2.958 20 50 FFGDRM CCOc1ccc(/C=C(/C#N)C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833663458 605775123 /nfs/dbraw/zinc/77/51/23/605775123.db2.gz KCOXVHZAXWTWLI-GDNBJRDFSA-N -1 0 351.362 2.834 20 50 FFGDRM Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCC[C@@H]3NC(=O)[O-])[nH]n2)c1 ZINC000833905030 605860207 /nfs/dbraw/zinc/86/02/07/605860207.db2.gz NOZMFMWHZCCILR-ZDUSSCGKSA-N -1 0 355.398 2.599 20 50 FFGDRM CC[C@H](Cc1ccccc1)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825127861 608574236 /nfs/dbraw/zinc/57/42/36/608574236.db2.gz PAXGSGCDWDKTQK-GFCCVEGCSA-N -1 0 371.832 2.627 20 50 FFGDRM CC(=CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cccc(F)c1 ZINC000823942510 608576738 /nfs/dbraw/zinc/57/67/38/608576738.db2.gz DTSHULSNIFSCKB-UITAMQMPSA-N -1 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ZINC000737383590 945053459 /nfs/dbraw/zinc/05/34/59/945053459.db2.gz CGAVAEGAUIRAFG-NSHDSACASA-N -1 0 355.402 2.533 20 50 FFGDRM C[C@@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])c1ccc(Br)s1 ZINC001602793090 971553030 /nfs/dbraw/zinc/55/30/30/971553030.db2.gz PATVTIHNJQKLGP-SSDOTTSWSA-N -1 0 370.228 2.851 20 50 FFGDRM CCCCCCOc1ccc(C(=O)NNC(=O)[C@]2(C(=O)[O-])C[C@H]2C)cc1 ZINC001589645654 949731090 /nfs/dbraw/zinc/73/10/90/949731090.db2.gz NFGXOAPQRACTLG-YJYMSZOUSA-N -1 0 362.426 2.518 20 50 FFGDRM O=C([O-])[C@@H]1C[C@@H](NC(=O)NNc2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC001594779818 953620692 /nfs/dbraw/zinc/62/06/92/953620692.db2.gz FWCIBQNQWBQDCO-IUODEOHRSA-N -1 0 374.328 2.673 20 50 FFGDRM O=C([O-])[C@@]1(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCCO1 ZINC001594864390 954308488 /nfs/dbraw/zinc/30/84/88/954308488.db2.gz AGLZOABTXNEOBN-LBPRGKRZSA-N -1 0 353.589 2.724 20 50 FFGDRM CC[C@H](CNC(=O)NNc1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC001589538193 955177467 /nfs/dbraw/zinc/17/74/67/955177467.db2.gz DTACLGGHNHALFN-SSDOTTSWSA-N -1 0 364.627 2.839 20 50 FFGDRM COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)C(=O)[O-])c2C)cc1 ZINC000738084198 955232678 /nfs/dbraw/zinc/23/26/78/955232678.db2.gz INGIFFSNUBXHTO-YDRQLGOLSA-N -1 0 367.405 2.599 20 50 FFGDRM CC(C)c1nc2ccccn2c1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001603107013 972182498 /nfs/dbraw/zinc/18/24/98/972182498.db2.gz IMWXQGKRYNRIGO-UHFFFAOYSA-N -1 0 354.370 2.700 20 50 FFGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001589219841 956761811 /nfs/dbraw/zinc/76/18/11/956761811.db2.gz RLGMCSMAGXDPHW-ZDUSSCGKSA-N -1 0 361.276 2.558 20 50 FFGDRM O=C([O-])c1ccccc1NC(=O)NNC(=O)Cc1ccc2ccccc2c1 ZINC001594707890 956854355 /nfs/dbraw/zinc/85/43/55/956854355.db2.gz RMSGFNLJIIHZIV-UHFFFAOYSA-N -1 0 363.373 2.933 20 50 FFGDRM CCOC(=O)C(C#N)=CNc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000066887875 957645352 /nfs/dbraw/zinc/64/53/52/957645352.db2.gz UJFQZUXZIBYLFF-ZRDIBKRKSA-N -1 0 357.391 2.820 20 50 FFGDRM Cc1ccccc1-c1nc(C(=O)NNc2ncccc2C(=O)[O-])cs1 ZINC001594414212 958986945 /nfs/dbraw/zinc/98/69/45/958986945.db2.gz XOPLVWWIXRAOIZ-UHFFFAOYSA-N -1 0 354.391 2.969 20 50 FFGDRM COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)[O-])cc1 ZINC000212136272 959709175 /nfs/dbraw/zinc/70/91/75/959709175.db2.gz STAIEKLEIRKUHJ-UVTDQMKNSA-N -1 0 352.346 2.704 20 50 FFGDRM CC(C)[C@H](C(=O)[O-])C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC001588807385 961480398 /nfs/dbraw/zinc/48/03/98/961480398.db2.gz CADVNJSCETXGHA-INIZCTEOSA-N -1 0 355.394 2.863 20 50 FFGDRM O=C(NNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)Nc1ccc(-c2ccccc2)cc1 ZINC001574578485 962089904 /nfs/dbraw/zinc/08/99/04/962089904.db2.gz IEGPOIXZFGHQJX-FZNQNYSPSA-N -1 0 368.393 2.553 20 50 FFGDRM O=C([O-])CC[C@H]1C[C@@H](C(=O)NNc2c(Cl)cc(F)cc2Cl)CO1 ZINC001574687193 962621054 /nfs/dbraw/zinc/62/10/54/962621054.db2.gz SAOZGEIITIAKNE-APPZFPTMSA-N -1 0 365.188 2.846 20 50 FFGDRM O=C([O-])C1(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CCC1 ZINC001605814577 972534848 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373.453 2.697 20 50 FFGDRM C[C@@H](CC(=O)NNC(=O)c1cccc(Cl)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824671942 604284428 /nfs/dbraw/zinc/28/44/28/604284428.db2.gz OGGUURWHQFKLCI-AAEUAGOBSA-N -1 0 367.833 2.517 20 50 FFGDRM COc1cc(C(=O)NN=C(C)c2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000831877643 604635969 /nfs/dbraw/zinc/63/59/69/604635969.db2.gz KBSSWZSMIDSACW-UHFFFAOYSA-N -1 0 372.377 2.565 20 50 FFGDRM CC(C)c1c(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cnn1-c1ccccc1 ZINC000833508565 604803031 /nfs/dbraw/zinc/80/30/31/604803031.db2.gz MGAQPCYSPOONGE-UHFFFAOYSA-N -1 0 365.393 2.846 20 50 FFGDRM O=C([O-])c1ccc(=NNC(=O)COc2ccc(Cl)c(Cl)c2)[nH]c1 ZINC000833764830 604803756 /nfs/dbraw/zinc/80/37/56/604803756.db2.gz WYTHZWLBJDUTOE-UHFFFAOYSA-N -1 0 356.165 2.609 20 50 FFGDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(CCCl)cc2)C1 ZINC000833419550 604900298 /nfs/dbraw/zinc/90/02/98/604900298.db2.gz OJMJQJFVHJYWKE-CQSZACIVSA-N -1 0 373.902 2.979 20 50 FFGDRM CCOc1cc(C(=O)NNc2cc(C)cc(C)c2)ccc1OCC(=O)[O-] ZINC000833663170 604937698 /nfs/dbraw/zinc/93/76/98/604937698.db2.gz NQXLSNCXGXXONB-UHFFFAOYSA-N -1 0 358.394 2.922 20 50 FFGDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNc1ccc(Br)nc1 ZINC000833830229 605313146 /nfs/dbraw/zinc/31/31/46/605313146.db2.gz MIELJMYEDIFLIP-YGRLFVJLSA-N -1 0 371.235 2.504 20 50 FFGDRM C[C@H](CC(=O)NNc1cccc(C(F)(F)F)n1)C1CCN(C(=O)[O-])CC1 ZINC000824680702 605355087 /nfs/dbraw/zinc/35/50/87/605355087.db2.gz YVXFXIOPHBYDMU-SNVBAGLBSA-N -1 0 374.363 2.960 20 50 FFGDRM O=C([O-])NCC(=O)NN=Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000834202563 605387837 /nfs/dbraw/zinc/38/78/37/605387837.db2.gz XYBFESRWYFQDHP-UHFFFAOYSA-N -1 0 355.272 2.683 20 50 FFGDRM O=C([O-])N1CCC[C@H]1CCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833998674 605415064 /nfs/dbraw/zinc/41/50/64/605415064.db2.gz SUPOGHJNTPJKKW-JTQLQIEISA-N -1 0 356.766 2.614 20 50 FFGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1c(Cl)cc(F)cc1Cl ZINC000834134348 605453131 /nfs/dbraw/zinc/45/31/31/605453131.db2.gz INBUEOCEVFNDSL-ZETCQYMHSA-N -1 0 360.119 2.867 20 50 FFGDRM CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000833449439 605482122 /nfs/dbraw/zinc/48/21/22/605482122.db2.gz UMDXCUNACBDARP-UHFFFAOYSA-N -1 0 355.394 2.764 20 50 FFGDRM C[C@H](C(=O)NN=c1[nH]c2ccccc2[nH]1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833789128 605506753 /nfs/dbraw/zinc/50/67/53/605506753.db2.gz GPDUAOLKQXFTNB-XHDPSFHLSA-N -1 0 353.382 2.651 20 50 FFGDRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NNc2ccc(F)cc2Br)C1 ZINC000834169299 605717594 /nfs/dbraw/zinc/71/75/94/605717594.db2.gz LTRPXKJLHBDGHN-WCBMZHEXSA-N -1 0 374.210 2.858 20 50 FFGDRM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833602810 605735196 /nfs/dbraw/zinc/73/51/96/605735196.db2.gz CDOOPKOESDCEIR-MEDUHNTESA-N -1 0 353.378 2.736 20 50 FFGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNc2ccc(OCC(F)(F)F)cc2)C1 ZINC000834171761 605738067 /nfs/dbraw/zinc/73/80/67/605738067.db2.gz WSQNXRFNWOZBPC-KOLCDFICSA-N -1 0 361.320 2.507 20 50 FFGDRM O=C([O-])NCc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000834248971 605738082 /nfs/dbraw/zinc/73/80/82/605738082.db2.gz LYFZFTQAMXTBCL-UHFFFAOYSA-N -1 0 364.745 2.773 20 50 FFGDRM CCOc1ccc(/C=C(\C#N)C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833663459 605774781 /nfs/dbraw/zinc/77/47/81/605774781.db2.gz KCOXVHZAXWTWLI-XNTDXEJSSA-N -1 0 351.362 2.834 20 50 FFGDRM O=C([O-])N1CCC(NC(=O)NN=Cc2ccc(SC(F)F)cc2)CC1 ZINC000834045462 605887906 /nfs/dbraw/zinc/88/79/06/605887906.db2.gz OKFUGGZSKBMOAA-UHFFFAOYSA-N -1 0 372.397 2.777 20 50 FFGDRM O=C([O-])N1CCC[C@@H](C=NNC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000834045022 606053791 /nfs/dbraw/zinc/05/37/91/606053791.db2.gz LCVNGNQDHNSSTC-JTQLQIEISA-N -1 0 356.329 2.785 20 50 FFGDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNc1ccc(OC(F)F)cc1 ZINC000833829393 606077998 /nfs/dbraw/zinc/07/79/98/606077998.db2.gz JLONAWQVJWLCFT-WBMJQRKESA-N -1 0 357.357 2.948 20 50 FFGDRM Cc1c2ccccc2oc1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826234645 608574709 /nfs/dbraw/zinc/57/47/09/608574709.db2.gz HOXHPLYICDXYNQ-UHFFFAOYSA-N -1 0 369.772 2.727 20 50 FFGDRM CCCCCC[C@@H](C)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825271777 608575622 /nfs/dbraw/zinc/57/56/22/608575622.db2.gz NXDLPGXXMYNYBC-SNVBAGLBSA-N -1 0 351.842 2.965 20 50 FFGDRM CC1(C)CCC[C@H](CC(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)C1 ZINC000824803344 608580999 /nfs/dbraw/zinc/58/09/99/608580999.db2.gz TZGWCMVVNBFRTI-SNVBAGLBSA-N -1 0 363.853 2.965 20 50 FFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)CCC=Cc2ccccc2)o1 ZINC000735938597 944716280 /nfs/dbraw/zinc/71/62/80/944716280.db2.gz BSAZTONSXMPMMH-UXBLZVDNSA-N -1 0 367.413 2.915 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001594781155 953630416 /nfs/dbraw/zinc/63/04/16/953630416.db2.gz HYDSWLXOFGCIIB-UHFFFAOYSA-N -1 0 357.700 2.792 20 50 FFGDRM C[C@H]1CCc2sc(C(=O)NNC(=O)c3coc(/C=C/C(=O)[O-])c3)cc2C1 ZINC001589365634 954189657 /nfs/dbraw/zinc/18/96/57/954189657.db2.gz SBUAEMFANUWJNR-GFAPAMAISA-N -1 0 374.418 2.639 20 50 FFGDRM C[C@@](CNC(=O)/C(C#N)=C\c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001589039352 955579328 /nfs/dbraw/zinc/57/93/28/955579328.db2.gz BLTBKQWPYTYANF-HFZJLKNISA-N -1 0 352.365 2.891 20 50 FFGDRM C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001589167776 956436366 /nfs/dbraw/zinc/43/63/66/956436366.db2.gz YYFVVRIUIVCZLP-BLLLJJGKSA-N -1 0 372.421 2.501 20 50 FFGDRM COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)[O-])cc2OC)o1 ZINC000023738260 957156694 /nfs/dbraw/zinc/15/66/94/957156694.db2.gz IERDIDVBTCGHPA-KPKJPENVSA-N -1 0 357.318 2.645 20 50 FFGDRM COc1ccc(Br)c(NNC(=O)NCCCCCC(=O)[O-])c1 ZINC001594075198 958214200 /nfs/dbraw/zinc/21/42/00/958214200.db2.gz HEBOTXRBQGCVOL-UHFFFAOYSA-N -1 0 374.235 2.729 20 50 FFGDRM CC(=Cc1ccc(Br)o1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001588480092 958584223 /nfs/dbraw/zinc/58/42/23/958584223.db2.gz CGXPRMAHQFKKCE-BQYQJAHWSA-N -1 0 366.171 2.682 20 50 FFGDRM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)NNc1ncccc1C(=O)[O-] ZINC001594385829 958665195 /nfs/dbraw/zinc/66/51/95/958665195.db2.gz HSSFWWUWILVAHI-UHFFFAOYSA-N -1 0 351.366 2.544 20 50 FFGDRM Cc1cccc(NNC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c1Cl ZINC001594409100 958931077 /nfs/dbraw/zinc/93/10/77/958931077.db2.gz XFXDXOFUDYQRRC-UHFFFAOYSA-N -1 0 351.794 2.813 20 50 FFGDRM COc1ccc2[nH]c(=NNC(=O)C=Cc3ccc(C(=O)[O-])o3)c(C)cc2c1 ZINC001574227209 960406129 /nfs/dbraw/zinc/40/61/29/960406129.db2.gz SVILDZINVLIRNY-YVMONPNESA-N -1 0 367.361 3.000 20 50 FFGDRM CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)c1ccc(CCCCl)cc1 ZINC001588656849 960414425 /nfs/dbraw/zinc/41/44/25/960414425.db2.gz JSBGIVQGBSKCJO-UHFFFAOYSA-N -1 0 361.891 2.979 20 50 FFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1C ZINC001573866896 961199033 /nfs/dbraw/zinc/19/90/33/961199033.db2.gz MZZJMTIFZVVHMD-OOJVEGCXSA-N -1 0 357.454 2.991 20 50 FFGDRM CCc1nc2ccccc2c(C(=O)NNc2ncccc2C(=O)[O-])c1C ZINC001573964371 961707899 /nfs/dbraw/zinc/70/78/99/961707899.db2.gz NTHSVHUQSBZCJY-UHFFFAOYSA-N -1 0 350.378 2.956 20 50 FFGDRM O=C([O-])[C@H](NS(=O)(=O)c1ccc(CCl)cc1)c1ccc(F)cc1 ZINC001574621552 962253483 /nfs/dbraw/zinc/25/34/83/962253483.db2.gz RPDFDCJCHMMSSK-CQSZACIVSA-N -1 0 357.790 2.669 20 50 FFGDRM Cc1cc(/C=C(\C#N)C(=O)NCCC(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC001574701444 962682080 /nfs/dbraw/zinc/68/20/80/962682080.db2.gz WZYYNYSEINHIBI-GZTJUZNOSA-N -1 0 351.406 2.900 20 50 FFGDRM O=C([O-])CC1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)CC1 ZINC000285022190 962879859 /nfs/dbraw/zinc/87/98/59/962879859.db2.gz IAYAFPCKGFLINP-UHFFFAOYSA-N -1 0 359.875 2.733 20 50 FFGDRM CC(C)[C@@H](CNC(=O)NNc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000848591149 969267626 /nfs/dbraw/zinc/26/76/26/969267626.db2.gz ZFHYTYKIAOFAQR-SECBINFHSA-N -1 0 362.199 2.571 20 50 FFGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNC(=O)c1c(Cl)cccc1Cl ZINC001603312801 972610365 /nfs/dbraw/zinc/61/03/65/972610365.db2.gz RANMCEAASGJCOE-UHFFFAOYSA-N -1 0 373.236 2.891 20 50 FFGDRM Cc1c(Br)scc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001605077176 972711570 /nfs/dbraw/zinc/71/15/70/972711570.db2.gz QCXJMKGGLVVLMH-UHFFFAOYSA-N -1 0 356.201 2.669 20 50 FFGDRM C[C@H]1CCc2sc(C(=O)NNC(=O)c3cccc(C(=O)[O-])c3)cc2C1 ZINC001603439513 973217499 /nfs/dbraw/zinc/21/74/99/973217499.db2.gz OQNQYOGYQAVWGM-JTQLQIEISA-N -1 0 358.419 2.646 20 50 FFGDRM Cc1nc(-c2ccc(C(=O)NNc3ncccc3C(=O)[O-])cc2)cs1 ZINC001605394152 973369564 /nfs/dbraw/zinc/36/95/64/973369564.db2.gz GGHICMRPVNGSAJ-UHFFFAOYSA-N -1 0 354.391 2.969 20 50 FFGDRM COc1ccc(NNC(=O)C2(CC(=O)[O-])CCC2)c(Br)c1 ZINC001604821145 974060880 /nfs/dbraw/zinc/06/08/80/974060880.db2.gz NJRXUGQPHUDQJA-UHFFFAOYSA-N -1 0 357.204 2.546 20 50 FFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CCc1cc(Br)cs1 ZINC001605687315 974101861 /nfs/dbraw/zinc/10/18/61/974101861.db2.gz MGLKKARUQUNCKA-UHFFFAOYSA-N -1 0 370.228 2.680 20 50 FFGDRM CC(C)c1ncc(Cl)c(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)n1 ZINC001592033994 976750801 /nfs/dbraw/zinc/75/08/01/976750801.db2.gz ROVIUXBMETZIIJ-UHFFFAOYSA-N -1 0 352.753 2.848 20 50 FFGDRM CC(C)[C@H](NC(=O)[O-])C(=O)Oc1ccc([N+](=O)[O-])cc1Br ZINC000736384477 978328727 /nfs/dbraw/zinc/32/87/27/978328727.db2.gz 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ZINC000739956634 978660237 /nfs/dbraw/zinc/66/02/37/978660237.db2.gz ITSQTDQFTUWNGW-UHFFFAOYSA-N -1 0 350.600 2.593 20 50 FFGDRM O=C([O-])c1cccc(C(=O)NNc2c(F)cc(F)cc2Br)n1 ZINC000740217203 978672678 /nfs/dbraw/zinc/67/26/78/978672678.db2.gz SWQMFHRYXCUMNC-UHFFFAOYSA-N -1 0 372.125 2.577 20 50 FFGDRM O=C([O-])[C@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1ccccc1 ZINC000776646794 978766361 /nfs/dbraw/zinc/76/63/61/978766361.db2.gz OZGYTYKQXYCWDX-XZBIERFOSA-N -1 0 366.255 2.925 20 50 FFGDRM C[C@@H](Oc1ccc(C=NNC(=O)[C@H](C)Oc2ccccc2F)cc1)C(=O)[O-] ZINC000794878877 978824591 /nfs/dbraw/zinc/82/45/91/978824591.db2.gz GGXAWGXNWQDSSJ-QWHCGFSZSA-N -1 0 374.368 2.595 20 50 FFGDRM C[C@@H]1C(=NNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC[C@@H]1CC(=O)[O-] ZINC000814876977 978895300 /nfs/dbraw/zinc/89/53/00/978895300.db2.gz HHDLSUCRPCBVRI-CMPLNLGQSA-N -1 0 358.373 2.822 20 50 FFGDRM COc1cc(NC(=O)NN=Cc2c[nH]c(C(=O)[O-])c2)c(OC)cc1Cl ZINC000814996876 978900531 /nfs/dbraw/zinc/90/05/31/978900531.db2.gz OHMHJAOFOCNQNN-UHFFFAOYSA-N -1 0 366.761 2.539 20 50 FFGDRM CCC(CC)(CCOC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C)C(=O)[O-] ZINC001595060146 979313708 /nfs/dbraw/zinc/31/37/08/979313708.db2.gz AWATZGYYSGEGQO-DHDCSXOGSA-N -1 0 357.410 2.936 20 50 FFGDRM C[C@@H](NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1ncc(C(=O)[O-])s1 ZINC000856994314 979621527 /nfs/dbraw/zinc/62/15/27/979621527.db2.gz VKXGGBCDSFVBNC-ZCZIFAQMSA-N -1 0 373.272 2.972 20 50 FFGDRM C#C[C@@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001588373529 983338544 /nfs/dbraw/zinc/33/85/44/983338544.db2.gz GTIQPNQRTLUITJ-MRXNPFEDSA-N -1 0 357.797 2.968 20 50 FFGDRM C=CCc1ccc(OCC(=O)NNc2cccc(F)c2C(=O)[O-])c(OC)c1 ZINC001588885879 984470509 /nfs/dbraw/zinc/47/05/09/984470509.db2.gz XSQGNMOOIHEUPD-UHFFFAOYSA-N -1 0 374.368 2.783 20 50 FFGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1[N+](=O)[O-] ZINC001599893887 984728826 /nfs/dbraw/zinc/72/88/26/984728826.db2.gz IETMMJARTIIYTG-VIFPVBQESA-N -1 0 362.317 2.819 20 50 FFGDRM C[C@H](NC(=O)NNc1cc(C(=O)[O-])ccc1Br)C(F)(F)F ZINC001599894154 984732151 /nfs/dbraw/zinc/73/21/51/984732151.db2.gz OHDXVXQOCPCIRS-YFKPBYRVSA-N -1 0 370.125 2.724 20 50 FFGDRM CCOC1(C(=O)NNc2cc(C(=O)[O-])ccc2Br)CCC1 ZINC001596798939 985309292 /nfs/dbraw/zinc/30/92/92/985309292.db2.gz WTJMBVGGBXTZIZ-UHFFFAOYSA-N -1 0 357.204 2.550 20 50 FFGDRM CC(=O)N[C@H](CC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccc(C)cc1 ZINC001589110482 985344320 /nfs/dbraw/zinc/34/43/20/985344320.db2.gz BNZSIPGQXINFFL-MRXNPFEDSA-N -1 0 373.384 2.543 20 50 FFGDRM CC(=O)Nc1cncc(C(=O)NN=C2CCC[C@@H](CCCC(=O)[O-])C2)c1 ZINC001589218287 985724554 /nfs/dbraw/zinc/72/45/54/985724554.db2.gz UTHLYHDAMWMDBC-ZDUSSCGKSA-N -1 0 360.414 2.571 20 50 FFGDRM CCOCCOc1ccccc1C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001596939144 986067598 /nfs/dbraw/zinc/06/75/98/986067598.db2.gz BLZWDACGGJWUSA-UHFFFAOYSA-N -1 0 358.394 2.865 20 50 FFGDRM CCOCn1nc(C)c(C[C@H](C)C(=O)NNc2ccccc2C(=O)[O-])c1C ZINC001596959243 986149301 /nfs/dbraw/zinc/14/93/01/986149301.db2.gz PLYDYAINCYIZTI-LBPRGKRZSA-N -1 0 374.441 2.514 20 50 FFGDRM CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)cc1 ZINC001597081830 986628268 /nfs/dbraw/zinc/62/82/68/986628268.db2.gz PYYRTVRLVULGDB-KAMYIIQDSA-N -1 0 368.393 2.647 20 50 FFGDRM CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)cc1 ZINC001597081831 986628864 /nfs/dbraw/zinc/62/88/64/986628864.db2.gz PYYRTVRLVULGDB-SDNWHVSQSA-N -1 0 368.393 2.647 20 50 FFGDRM C[C@@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589424641 986694905 /nfs/dbraw/zinc/69/49/05/986694905.db2.gz YQMUJGJJGGRLFG-MRVPVSSYSA-N -1 0 365.292 2.818 20 50 FFGDRM CC(C)(C)[C@@H](Br)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001589699730 987786741 /nfs/dbraw/zinc/78/67/41/987786741.db2.gz PPBMBFNPTOCHLJ-YPMHNXCESA-N -1 0 374.250 2.995 20 50 FFGDRM CSSCCNC(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001599804841 988238129 /nfs/dbraw/zinc/23/81/29/988238129.db2.gz VKWPXVUHUMXVDH-UHFFFAOYSA-N -1 0 361.514 2.742 20 50 FFGDRM CCc1ccc(NNC(=O)NCCc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001597551322 988273845 /nfs/dbraw/zinc/27/38/45/988273845.db2.gz FOJXZLPBJCLWIY-UHFFFAOYSA-N -1 0 357.410 2.825 20 50 FFGDRM CC(C)(CNC(=O)NNc1cccc(F)c1Br)CC(=O)[O-] ZINC001590726745 990521618 /nfs/dbraw/zinc/52/16/18/990521618.db2.gz YUINZQDEPLKGPN-UHFFFAOYSA-N -1 0 362.199 2.715 20 50 FFGDRM COc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001599696592 991158025 /nfs/dbraw/zinc/15/80/25/991158025.db2.gz DXEARHATMCLSKG-UHFFFAOYSA-N -1 0 363.757 2.513 20 50 FFGDRM COc1ccccc1[C@]1(C)C[C@H]1NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599702627 991243777 /nfs/dbraw/zinc/24/37/77/991243777.db2.gz NQMMCUSZYRSTQZ-APWZRJJASA-N -1 0 373.384 2.889 20 50 FFGDRM COc1ccccc1OCC(=O)NN=C1CCC[C@@H](CCCC(=O)[O-])C1 ZINC001599716496 991463931 /nfs/dbraw/zinc/46/39/31/991463931.db2.gz AWXAGTAUAOYPSB-AWEZNQCLSA-N -1 0 362.426 2.991 20 50 FFGDRM CN(CC(=O)NNc1ccc(C(=O)[O-])cc1F)c1nc2ccccc2s1 ZINC001598396552 991659851 /nfs/dbraw/zinc/65/98/51/991659851.db2.gz LVDUCZMJODDQTB-UHFFFAOYSA-N -1 0 374.397 2.713 20 50 FFGDRM CN(NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)c1ccccn1 ZINC001598542100 992913653 /nfs/dbraw/zinc/91/36/53/992913653.db2.gz VPXGMCMPQJJZJE-UHFFFAOYSA-N -1 0 369.425 2.943 20 50 FFGDRM COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)[O-])n2C)cc1Cl ZINC001599590200 993670294 /nfs/dbraw/zinc/67/02/94/993670294.db2.gz JYPWTNMDPDYUEI-YFHOEESVSA-N -1 0 359.769 2.931 20 50 FFGDRM COc1ccc2c(c1)OC[C@H]2CC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599632163 994234990 /nfs/dbraw/zinc/23/49/90/994234990.db2.gz GEDQZIROLLNGCF-SNVBAGLBSA-N -1 0 360.341 2.542 20 50 FFGDRM C[C@](O)(C(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001593375695 995081774 /nfs/dbraw/zinc/08/17/74/995081774.db2.gz JTESTWUOGJMEFB-MRXNPFEDSA-N -1 0 352.749 2.528 20 50 FFGDRM C[C@@H](Oc1ccc(NC(=O)NNc2ncccc2Cl)cc1F)C(=O)[O-] ZINC001593630803 995914825 /nfs/dbraw/zinc/91/48/25/995914825.db2.gz DOXQCKBVPZWUCN-MRVPVSSYSA-N -1 0 368.752 2.875 20 50 FFGDRM COc1ccc(C(=O)NNc2ccc(CC(=O)[O-])cc2)c(OC(C)C)c1 ZINC001599483771 996811163 /nfs/dbraw/zinc/81/11/63/996811163.db2.gz INVLDJIPHLBKQQ-UHFFFAOYSA-N -1 0 358.394 2.866 20 50 FFGDRM COc1cc(CN(CC(=O)[O-])C(=O)C2CCC(Cl)CC2)cc(OC)c1 ZINC001599403818 997260185 /nfs/dbraw/zinc/26/01/85/997260185.db2.gz QMNGHZFZDPSZJL-UHFFFAOYSA-N -1 0 369.845 2.915 20 50 FFGDRM C[C@]1(CNC(=O)NNc2cccc(C(=O)[O-])c2F)CCOC2(CCC2)C1 ZINC001594020431 997527959 /nfs/dbraw/zinc/52/79/59/997527959.db2.gz MLKNLVFIELJCOZ-KRWDZBQOSA-N -1 0 365.405 2.889 20 50 FFGDRM COc1c(F)cc(NC(=O)NNc2cccc(C(=O)[O-])c2)c(OC)c1F ZINC001599336582 997848250 /nfs/dbraw/zinc/84/82/50/997848250.db2.gz YDDWUYFFKYMJKY-UHFFFAOYSA-N -1 0 367.308 2.829 20 50 FFGDRM COc1cc(NNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1Cl ZINC001599444958 997993546 /nfs/dbraw/zinc/99/35/46/997993546.db2.gz PFFNOVKRIRMKJK-UHFFFAOYSA-N -1 0 365.729 2.712 20 50 FFGDRM COc1cc(OC)c(OC)cc1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599449889 998073971 /nfs/dbraw/zinc/07/39/71/998073971.db2.gz OWNRBBKQYRDRLE-UHFFFAOYSA-N -1 0 361.354 2.559 20 50 FFGDRM COC(=O)c1cc(NNC(=O)Nc2cc(C(=O)[O-])cs2)ccc1F ZINC001598948983 998111276 /nfs/dbraw/zinc/11/12/76/998111276.db2.gz ONOAAYDMNDUERD-UHFFFAOYSA-N -1 0 353.331 2.521 20 50 FFGDRM COc1cc(C(=O)NNc2cccc(C(=O)[O-])c2)ccc1Br ZINC001599355455 998171830 /nfs/dbraw/zinc/17/18/30/998171830.db2.gz UZZPMYVIYBLPGP-UHFFFAOYSA-N -1 0 365.183 2.913 20 50 FFGDRM COCCOc1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2C)cc1 ZINC001599258125 998338023 /nfs/dbraw/zinc/33/80/23/998338023.db2.gz JIMWVXHEBJDWGP-UHFFFAOYSA-N -1 0 373.409 2.545 20 50 FFGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OC2CC(C(=O)[O-])C2)c1C ZINC001599158548 998416425 /nfs/dbraw/zinc/41/64/25/998416425.db2.gz CGEAPMJCAJIQAF-DBHJVMGZSA-N -1 0 360.410 2.626 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC001599375947 998486721 /nfs/dbraw/zinc/48/67/21/998486721.db2.gz GMFNMBMNINUIJX-UHFFFAOYSA-N -1 0 356.378 2.864 20 50 FFGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(C(=O)[O-])CCCCC2)c1C ZINC001599267359 998491143 /nfs/dbraw/zinc/49/11/43/998491143.db2.gz ACNYPGICABVWGD-ATVHPVEESA-N -1 0 373.453 2.562 20 50 FFGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccoc2C(=O)[O-])c1C ZINC001599269102 998518422 /nfs/dbraw/zinc/51/84/22/998518422.db2.gz XCHPJEFRSVTENZ-SXGWCWSVSA-N -1 0 372.377 2.693 20 50 FFGDRM COC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC001599170249 998601469 /nfs/dbraw/zinc/60/14/69/998601469.db2.gz UBKBIWVVJVQLLI-BXBHGGAKSA-N -1 0 373.453 2.733 20 50 FFGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)c2c(Cl)cccc2Cl)C1 ZINC000833149364 600927678 /nfs/dbraw/zinc/92/76/78/600927678.db2.gz NZSICKFIUHCPQD-DTWKUNHWSA-N -1 0 359.209 2.645 20 50 FFGDRM O=C([O-])CN(c1cccc(F)c1)S(=O)(=O)c1ccc(CCCl)cc1 ZINC000833249899 601205480 /nfs/dbraw/zinc/20/54/80/601205480.db2.gz UUCWGCGBIVBBBF-UHFFFAOYSA-N -1 0 371.817 2.887 20 50 FFGDRM Cc1c2ccccc2oc(=O)c1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000832853236 601676803 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FFGDRM C[C@H](CN(C)C(=O)[O-])C(=O)Oc1ccc([N+](=O)[O-])cc1Br ZINC000824895934 603436365 /nfs/dbraw/zinc/43/63/65/603436365.db2.gz ILORKZPDZMIHCV-SSDOTTSWSA-N -1 0 361.148 2.509 20 50 FFGDRM O=C([O-])NC1(CC(=O)Oc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000832219585 603436934 /nfs/dbraw/zinc/43/69/34/603436934.db2.gz ODLXHKABJOYFAR-UHFFFAOYSA-N -1 0 373.159 2.843 20 50 FFGDRM C[C@H](Oc1ccccc1F)C(=O)NN=Cc1cccc2c1N(C(=O)[O-])CC2 ZINC000825616970 603819301 /nfs/dbraw/zinc/81/93/01/603819301.db2.gz NAZCXGHFNKYOFC-LBPRGKRZSA-N -1 0 371.368 2.784 20 50 FFGDRM CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1 ZINC000827427262 604193511 /nfs/dbraw/zinc/19/35/11/604193511.db2.gz HFKSXXPKBIGDTR-OOIIRUBYSA-N -1 0 371.437 2.887 20 50 FFGDRM O=C([O-])NCc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)o1 ZINC000832702291 604771807 /nfs/dbraw/zinc/77/18/07/604771807.db2.gz ODNQIFKNOHHQFX-UHFFFAOYSA-N -1 0 359.260 2.703 20 50 FFGDRM CCc1[nH]c(C(=O)NNc2ccc(OC(F)F)cc2)c(C)c1C(=O)[O-] ZINC000833667148 604939611 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FFGDRM O=C([O-])N[C@H](CC(=O)NNC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000832104492 605566221 /nfs/dbraw/zinc/56/62/21/605566221.db2.gz GTBDYLBAKOJRQY-CQSZACIVSA-N -1 0 361.785 2.500 20 50 FFGDRM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NNc1cnnc2ccccc21 ZINC000832356693 605609277 /nfs/dbraw/zinc/60/92/77/605609277.db2.gz CWXWGOSATMGPTK-ZIAGYGMSSA-N -1 0 357.414 2.680 20 50 FFGDRM O=C([O-])N1CCC(NC(=O)NN=Cc2cccc(-c3ccccn3)c2)CC1 ZINC000834046186 605677818 /nfs/dbraw/zinc/67/78/18/605677818.db2.gz YRZXDMLXAZADHP-UHFFFAOYSA-N -1 0 367.409 2.524 20 50 FFGDRM N#Cc1cccc(NNC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)c1 ZINC000833976194 605715531 /nfs/dbraw/zinc/71/55/31/605715531.db2.gz JXEAURRPHZFKOD-UHFFFAOYSA-N -1 0 364.405 2.713 20 50 FFGDRM C[C@@]1(C(=O)NNc2ccccc2C(=O)[O-])CCCN1C(=O)c1ccccc1 ZINC000833552755 605724110 /nfs/dbraw/zinc/72/41/10/605724110.db2.gz JWJUQLVSERYVGO-FQEVSTJZSA-N -1 0 367.405 2.523 20 50 FFGDRM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833440726 605732369 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CC[C@H](Cc1cn([C@@]2(Cl)C[C@@H]2CCBr)nn1)C(=O)[O-] ZINC001595217776 980028286 /nfs/dbraw/zinc/02/82/86/980028286.db2.gz IBLKVIUEOIXCEZ-PTRXPTGYSA-N -1 0 350.644 2.628 20 50 FFGDRM O=C([O-])C1CCC(=NNC(=O)COc2ccccc2Br)CC1 ZINC000872415239 980075289 /nfs/dbraw/zinc/07/52/89/980075289.db2.gz FEYSYISEYDHSLI-UHFFFAOYSA-N -1 0 369.215 2.575 20 50 FFGDRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@@H](Br)C(C)(C)C ZINC000909509265 981517538 /nfs/dbraw/zinc/51/75/38/981517538.db2.gz KKWVYIWESSAHKU-CQSZACIVSA-N -1 0 372.259 2.918 20 50 FFGDRM CC[C@](C)(NC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C)C(=O)[O-] ZINC001594834921 982025325 /nfs/dbraw/zinc/02/53/25/982025325.db2.gz BQBWAOJXUSVULS-GNBZGYCPSA-N -1 0 361.442 2.589 20 50 FFGDRM CCN(C)[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC001596191222 983565513 /nfs/dbraw/zinc/56/55/13/983565513.db2.gz KEKCIZCOIBDPHV-QGZVFWFLSA-N -1 0 357.410 2.530 20 50 FFGDRM CC(=O)Nc1cccc([C@@H](C)NC(=O)NNc2ccc(CC(=O)[O-])cc2)c1 ZINC001589205560 985671332 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CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001596158875 983522109 /nfs/dbraw/zinc/52/21/09/983522109.db2.gz VDTCSOLAGHNNLT-SNVBAGLBSA-N -1 0 369.393 2.613 20 50 FFGDRM CCN(CC)C(=O)c1ccc(C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC001596250070 983653680 /nfs/dbraw/zinc/65/36/80/983653680.db2.gz MBBXFFNEKHKLLO-UHFFFAOYSA-N -1 0 355.394 2.624 20 50 FFGDRM CCN(CCNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1cccc(C)c1 ZINC001596334942 983779058 /nfs/dbraw/zinc/77/90/58/983779058.db2.gz WVTDJDKWAHMKEN-UHFFFAOYSA-N -1 0 374.416 2.985 20 50 FFGDRM CCNC(=O)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c(C)c1 ZINC001596483480 984215522 /nfs/dbraw/zinc/21/55/22/984215522.db2.gz NFKRRXSAYFMIBL-UHFFFAOYSA-N -1 0 356.382 2.592 20 50 FFGDRM Cc1c2ccccc2[nH]c(=O)c1C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599982306 986181125 /nfs/dbraw/zinc/18/11/25/986181125.db2.gz OUIQYAWOTZBCKO-UHFFFAOYSA-N -1 0 351.362 2.633 20 50 FFGDRM C[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])[C@H]1OCCc2sccc21 ZINC001589422156 986662679 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FFGDRM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNc2cccc(F)c2C(=O)[O-])cc1 ZINC001598333895 991375400 /nfs/dbraw/zinc/37/54/00/991375400.db2.gz RPPHTUFFVAKFPM-UONOGXRCSA-N -1 0 357.385 2.837 20 50 FFGDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001591051467 991451694 /nfs/dbraw/zinc/45/16/94/991451694.db2.gz DFDXOMONKSDUGZ-QGZVFWFLSA-N -1 0 371.368 2.942 20 50 FFGDRM COc1ncc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1Cl ZINC001599736243 991778757 /nfs/dbraw/zinc/77/87/57/991778757.db2.gz QDJURIFXKCNVCE-UHFFFAOYSA-N -1 0 352.686 2.569 20 50 FFGDRM C[C@@H](NC(=O)NNC(=O)C(=O)[O-])c1ccc(-c2ccc(Cl)cc2)s1 ZINC001593102478 993744936 /nfs/dbraw/zinc/74/49/36/993744936.db2.gz UCXKCXJGOJEYNW-MRVPVSSYSA-N -1 0 367.814 2.545 20 50 FFGDRM COc1ccc2c(CC(=O)NNc3ccc(CC(=O)[O-])cc3)coc2c1 ZINC001599624139 994124285 /nfs/dbraw/zinc/12/42/85/994124285.db2.gz OEINEBRNIIJPRE-UHFFFAOYSA-N -1 0 354.362 2.754 20 50 FFGDRM COc1ccc2c(c1)CC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1C)C2 ZINC001599627515 994170170 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COC1CCC(CCNC(=O)NNc2ccc(C(=O)[O-])cc2F)CC1 ZINC001599099595 997357989 /nfs/dbraw/zinc/35/79/89/997357989.db2.gz CSJPUNONINMDER-UHFFFAOYSA-N -1 0 353.394 2.745 20 50 FFGDRM C[C@]1(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C[C@@H]1Br ZINC001594015847 997498442 /nfs/dbraw/zinc/49/84/42/997498442.db2.gz XMELLDBDEBYRPM-XJKSGUPXSA-N -1 0 365.227 2.629 20 50 FFGDRM COc1c(NC(=O)NNC(=O)C(C)(C)c2ccccc2)cccc1C(=O)[O-] ZINC001599338958 997887795 /nfs/dbraw/zinc/88/77/95/997887795.db2.gz CJHPJILZRWJXIA-UHFFFAOYSA-N -1 0 371.393 2.524 20 50 FFGDRM COc1ccc(CCC(=O)NN=Cc2cc(C(=O)[O-])c3n2CCCC3)cc1 ZINC001599552677 998036168 /nfs/dbraw/zinc/03/61/68/998036168.db2.gz LDGBZTSDYNXOBO-UHFFFAOYSA-N -1 0 369.421 2.614 20 50 FFGDRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001594136680 998381230 /nfs/dbraw/zinc/38/12/30/998381230.db2.gz RDXUATLBKUQNDI-UVBJJODRSA-N -1 0 359.451 2.630 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)Cc1coc(-c2cccs2)n1 ZINC001599376958 998501937 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370.449 2.681 20 50 FFGDRM Cc1cccc(NC(=S)NNC(=O)c2ccc(C(=O)[O-])c(F)c2)c1C ZINC000832971259 604806160 /nfs/dbraw/zinc/80/61/60/604806160.db2.gz UGJIAAUGOFCTLP-UHFFFAOYSA-N -1 0 361.398 2.772 20 50 FFGDRM O=C([O-])N1CCCc2cccc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)c21 ZINC000831735811 604825785 /nfs/dbraw/zinc/82/57/85/604825785.db2.gz AZVWRAPPZZQLAW-UHFFFAOYSA-N -1 0 368.349 2.789 20 50 FFGDRM O=C([O-])N1CCCc2cccc(C=NNC(=O)COc3ccc(F)cc3)c21 ZINC000831545385 604827633 /nfs/dbraw/zinc/82/76/33/604827633.db2.gz NTCCTLJYFDZIEA-UHFFFAOYSA-N -1 0 371.368 2.785 20 50 FFGDRM C[C@H](Sc1ccccc1C(=O)NNc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833545148 604935494 /nfs/dbraw/zinc/93/54/94/604935494.db2.gz DZKUCSFSKOTWHH-JTQLQIEISA-N -1 0 361.379 2.917 20 50 FFGDRM CC(=O)c1cccc(OCCCC(=O)NNc2ccccc2C(=O)[O-])c1 ZINC000833404086 605259921 /nfs/dbraw/zinc/25/99/21/605259921.db2.gz WSVNYNPDRGEYRV-UHFFFAOYSA-N -1 0 356.378 2.890 20 50 FFGDRM CC(C)NC(=O)Nc1ccc(C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC000833503315 605260527 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370.409 2.800 20 50 FFGDRM Cc1ccc(C(=O)NNC(=O)c2cccc3cccnc32)cc1NC(=O)[O-] ZINC000830225086 602774517 /nfs/dbraw/zinc/77/45/17/602774517.db2.gz DXORCOANVLMEJJ-UHFFFAOYSA-N -1 0 364.361 2.708 20 50 FFGDRM C[C@@H](C(=O)NNc1ccccc1[N+](=O)[O-])[C@H](NC(=O)[O-])c1ccccc1 ZINC000823702965 603214266 /nfs/dbraw/zinc/21/42/66/603214266.db2.gz MGGNZCUMTKDCFF-ABAIWWIYSA-N -1 0 358.354 2.683 20 50 FFGDRM Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1NC(=O)[O-] ZINC000830225623 603227791 /nfs/dbraw/zinc/22/77/91/603227791.db2.gz RNWPEEIUCWLXQK-UHFFFAOYSA-N -1 0 366.377 2.570 20 50 FFGDRM Cc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1NC(=O)[O-] ZINC000830224884 603246024 /nfs/dbraw/zinc/24/60/24/603246024.db2.gz CCBIQXPDSWXOHT-UHFFFAOYSA-N -1 0 366.377 2.651 20 50 FFGDRM O=C([O-])NC[C@@H](C(=O)NN=c1[nH]ccc2sccc21)c1ccccc1 ZINC000832408731 603622831 /nfs/dbraw/zinc/62/28/31/603622831.db2.gz UCIFGKGPZYFTAO-CYBMUJFWSA-N -1 0 356.407 2.791 20 50 FFGDRM O=C([O-])NC[C@@H](C(=O)NNc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000832407426 603658543 /nfs/dbraw/zinc/65/85/43/603658543.db2.gz ICERKBJBJZLPGA-LLVKDONJSA-N -1 0 368.315 2.595 20 50 FFGDRM CC(C)(CNC(=O)[O-])C(=O)NNc1ccc(Br)cc1Cl ZINC000823964387 603796602 /nfs/dbraw/zinc/79/66/02/603796602.db2.gz CTZOYVDMNXQOIA-UHFFFAOYSA-N -1 0 364.627 2.839 20 50 FFGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)CCc3ccccc3O)c21 ZINC000831437405 603823746 /nfs/dbraw/zinc/82/37/46/603823746.db2.gz SQHCVSAHUAJNJX-UHFFFAOYSA-N -1 0 353.378 2.516 20 50 FFGDRM COc1ccccc1NC(=S)NNC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829637476 604031616 /nfs/dbraw/zinc/03/16/16/604031616.db2.gz DKDANEYKWOXUMD-UHFFFAOYSA-N -1 0 374.422 2.725 20 50 FFGDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000824210580 604225905 /nfs/dbraw/zinc/22/59/05/604225905.db2.gz HEMCULZVRKFIHI-GFCCVEGCSA-N -1 0 358.320 2.702 20 50 FFGDRM Cc1cc(C(=O)NNC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(C)o1 ZINC000832864513 604535658 /nfs/dbraw/zinc/53/56/58/604535658.db2.gz LGMVCZNESIACJS-HNNXBMFYSA-N -1 0 373.409 2.693 20 50 FFGDRM CCc1[nH]c(C(=O)NNC(=S)Nc2cc(C)ccc2C)c(C)c1C(=O)[O-] ZINC000830195858 604704583 /nfs/dbraw/zinc/70/45/83/604704583.db2.gz DAPXFCSZPSTJFR-UHFFFAOYSA-N -1 0 374.466 2.832 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2cccc(Br)n2)ccc1[N+](=O)[O-] ZINC000833785627 604758277 /nfs/dbraw/zinc/75/82/77/604758277.db2.gz JWUDDNKWEBTVTA-UHFFFAOYSA-N -1 0 367.111 2.670 20 50 FFGDRM CC(C)(C)C(=O)Nc1ccccc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833422081 604802235 /nfs/dbraw/zinc/80/22/35/604802235.db2.gz VZJQLWAUHXNBHW-UHFFFAOYSA-N -1 0 356.382 2.521 20 50 FFGDRM Cc1ccccc1-c1nc(C(=O)NNc2ccc(C(=O)[O-])cn2)cs1 ZINC000833753007 604803753 /nfs/dbraw/zinc/80/37/53/604803753.db2.gz JQZNIIRMOIODSQ-UHFFFAOYSA-N -1 0 354.391 2.969 20 50 FFGDRM Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832926560 604806245 /nfs/dbraw/zinc/80/62/45/604806245.db2.gz SMCQEZJESXJCGF-UHFFFAOYSA-N -1 0 361.398 2.772 20 50 FFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1C ZINC000833653262 604998030 /nfs/dbraw/zinc/99/80/30/604998030.db2.gz XRRKBSPZHPVQLY-LVOZBFFPSA-N -1 0 353.369 2.647 20 50 FFGDRM COc1ccc(/C=C(\C#N)C(=O)OCCOc2ccccc2C(=O)[O-])cc1 ZINC000833732424 605180895 /nfs/dbraw/zinc/18/08/95/605180895.db2.gz KXDWHCQCTNMKMU-NTCAYCPXSA-N -1 0 367.357 2.923 20 50 FFGDRM CC(C)(C)OC(=O)NCCCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833442460 605245698 /nfs/dbraw/zinc/24/56/98/605245698.db2.gz OYAIDCNPJPIFNM-UHFFFAOYSA-N -1 0 371.821 2.786 20 50 FFGDRM CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)c1cccc(OC(F)F)c1 ZINC000824758775 605465043 /nfs/dbraw/zinc/46/50/43/605465043.db2.gz BPHSKLOABYXCSJ-LBPRGKRZSA-N -1 0 355.341 2.926 20 50 FFGDRM CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000833449274 605482190 /nfs/dbraw/zinc/48/21/90/605482190.db2.gz RFYKBGXPBKPEJR-UHFFFAOYSA-N -1 0 373.384 2.903 20 50 FFGDRM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NNc1cnnc2ccccc21 ZINC000832356690 605609570 /nfs/dbraw/zinc/60/95/70/605609570.db2.gz CWXWGOSATMGPTK-UONOGXRCSA-N -1 0 357.414 2.680 20 50 FFGDRM O=C([O-])N[C@@H](CC(=O)NN=c1nc[nH]c2ccsc21)c1ccccc1 ZINC000834126140 605624371 /nfs/dbraw/zinc/62/43/71/605624371.db2.gz IBRHLQJDRYYPTG-LBPRGKRZSA-N -1 0 357.395 2.533 20 50 FFGDRM O=C([O-])N[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000834120914 605716010 /nfs/dbraw/zinc/71/60/10/605716010.db2.gz JXTCWEXJQKTQSC-ZDUSSCGKSA-N -1 0 364.745 2.700 20 50 FFGDRM CC(C)Cn1ncc(C(=O)NNc2ccccc2C(=O)[O-])c1C(F)F ZINC000833495431 605722038 /nfs/dbraw/zinc/72/20/38/605722038.db2.gz ZSKFUTFHFXHVHF-UHFFFAOYSA-N -1 0 352.341 2.932 20 50 FFGDRM COc1ccc(CCCC(=O)NNc2ccccc2C(=O)[O-])c(OC)c1 ZINC000833732282 605724517 /nfs/dbraw/zinc/72/45/17/605724517.db2.gz ZKTXBQSFESIDGX-UHFFFAOYSA-N -1 0 358.394 2.868 20 50 FFGDRM CC(C)=CC(=O)NCc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833463036 605737001 /nfs/dbraw/zinc/73/70/01/605737001.db2.gz VIDXOGSUFJBPCQ-UHFFFAOYSA-N -1 0 367.405 2.724 20 50 FFGDRM CC(C)(CO)[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833460230 605745447 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CC(C)(C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1CCCCC1 ZINC000824064266 608574212 /nfs/dbraw/zinc/57/42/12/608574212.db2.gz FOKDHPXGFWPUMN-UHFFFAOYSA-N -1 0 363.853 2.965 20 50 FFGDRM O=C([O-])c1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC001595220952 949245821 /nfs/dbraw/zinc/24/58/21/949245821.db2.gz RFUZUUVEGIHONA-UHFFFAOYSA-N -1 0 358.419 2.790 20 50 FFGDRM CCOC(=O)c1ccc(NNC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1C ZINC001591176326 951087221 /nfs/dbraw/zinc/08/72/21/951087221.db2.gz LFWCNGMDDKRRHR-TWGQIWQCSA-N -1 0 358.350 2.619 20 50 FFGDRM CCOc1c(Cl)cccc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001592009348 951292522 /nfs/dbraw/zinc/29/25/22/951292522.db2.gz PGWHYFJEJYZLMS-UHFFFAOYSA-N -1 0 350.762 2.981 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1ccnc(OC2CCCCC2)c1 ZINC001594781210 953630440 /nfs/dbraw/zinc/63/04/40/953630440.db2.gz JJEDINKVLKWNGV-UHFFFAOYSA-N -1 0 356.382 2.643 20 50 FFGDRM O=C([O-])c1cc(NC(=O)NNc2cccc(F)c2Br)ccn1 ZINC001594782359 953645493 /nfs/dbraw/zinc/64/54/93/953645493.db2.gz ZUQGFUIALYDAKZ-UHFFFAOYSA-N -1 0 369.150 2.830 20 50 FFGDRM Cc1cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])C(C)C)c(C)n1C[C@@H]1CCCO1 ZINC000820972765 955486155 /nfs/dbraw/zinc/48/61/55/955486155.db2.gz VVTGIBCINJCHHW-XUKORKDYSA-N -1 0 373.453 2.513 20 50 FFGDRM O=C([O-])C1(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCOCC1 ZINC000844152569 955647098 /nfs/dbraw/zinc/64/70/98/955647098.db2.gz VHIAYDRLPROEJB-UHFFFAOYSA-N -1 0 367.616 2.971 20 50 FFGDRM CO[C@@H](C(=O)NNc1ncccc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC001593899391 955859559 /nfs/dbraw/zinc/85/95/59/955859559.db2.gz ZGFGGOLNWJSWKM-GFCCVEGCSA-N -1 0 369.299 2.629 20 50 FFGDRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001589166950 956427565 /nfs/dbraw/zinc/42/75/65/956427565.db2.gz ASTNYQAHQJVWCP-GFCCVEGCSA-N -1 0 357.410 2.988 20 50 FFGDRM C[C@H](c1ccccc1)n1cc(NC(=O)NNc2ncccc2C(=O)[O-])cn1 ZINC001589177890 956515378 /nfs/dbraw/zinc/51/53/78/956515378.db2.gz XMWHXJKNQAVMKP-GFCCVEGCSA-N -1 0 366.381 2.734 20 50 FFGDRM O=C([O-])c1ccccc1CC(=O)NNc1ccc(F)cc1Br ZINC001594709755 956868372 /nfs/dbraw/zinc/86/83/72/956868372.db2.gz LRTRPRZBSAMPGA-UHFFFAOYSA-N -1 0 367.174 2.972 20 50 FFGDRM COc1ccc(Br)c(NNC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001594075234 958216049 /nfs/dbraw/zinc/21/60/49/958216049.db2.gz JHHUUWGTJULOEM-CYBMUJFWSA-N -1 0 371.231 2.792 20 50 FFGDRM Cc1ccc(-c2cc(C(=O)NNc3ncccc3C(=O)[O-])[nH]n2)cc1C ZINC001594334181 958252592 /nfs/dbraw/zinc/25/25/92/958252592.db2.gz OZAQPZZWPNOFRR-UHFFFAOYSA-N -1 0 351.366 2.544 20 50 FFGDRM Cc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1N1CCCC1 ZINC001594372694 958549770 /nfs/dbraw/zinc/54/97/70/958549770.db2.gz CVMUDZCBFHRLRA-UHFFFAOYSA-N -1 0 355.398 2.837 20 50 FFGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CCCO2)C1 ZINC001573462571 958918693 /nfs/dbraw/zinc/91/86/93/958918693.db2.gz FDONERLHBZXQRR-GUYCJALGSA-N -1 0 357.523 2.633 20 50 FFGDRM Cc1cccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(C(=O)[O-])c2)c1C ZINC001594408661 958926479 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O=C([O-])c1cccnc1NNC(=O)CCc1ncc(-c2ccccc2)o1 ZINC001605689262 974104639 /nfs/dbraw/zinc/10/46/39/974104639.db2.gz DDYOSZCDGSTAGF-UHFFFAOYSA-N -1 0 352.350 2.511 20 50 FFGDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NNC(=O)CC1CCCC1 ZINC001591769716 975896762 /nfs/dbraw/zinc/89/67/62/975896762.db2.gz XKUBTPUNKDAKJS-UHFFFAOYSA-N -1 0 363.414 2.905 20 50 FFGDRM CC(=O)c1cccc(O[C@@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000736195073 978309184 /nfs/dbraw/zinc/30/91/84/978309184.db2.gz ASXKTUMRNURIKI-NSHDSACASA-N -1 0 373.317 2.869 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1C ZINC000737749713 978442191 /nfs/dbraw/zinc/44/21/91/978442191.db2.gz ZQNBNLWNERAERK-FMDQBMBESA-N -1 0 373.453 2.589 20 50 FFGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000738249967 978507202 /nfs/dbraw/zinc/50/72/02/978507202.db2.gz BXGFHZGTEJEYAK-NGWPFTMJSA-N -1 0 351.406 2.899 20 50 FFGDRM Cc1cc(C=NNC(=O)Cc2ccccc2F)cc(C)c1OCC(=O)[O-] ZINC000738380371 978531278 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988386032 /nfs/dbraw/zinc/38/60/32/988386032.db2.gz OVYZTIZTKGPRJT-UHFFFAOYSA-N -1 0 363.464 2.949 20 50 FFGDRM CSc1ccc([N+](=O)[O-])c(C(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001599822011 988530483 /nfs/dbraw/zinc/53/04/83/988530483.db2.gz BALFZASBWIRHDT-UHFFFAOYSA-N -1 0 365.342 2.911 20 50 FFGDRM CSc1ncc(Cl)c(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001599829140 988643234 /nfs/dbraw/zinc/64/32/34/988643234.db2.gz LULRZXYSGIUATR-UHFFFAOYSA-N -1 0 373.221 2.960 20 50 FFGDRM CN(C)c1cccc(CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC001598335197 991385530 /nfs/dbraw/zinc/38/55/30/991385530.db2.gz XPDQBFFHNGGLPH-UHFFFAOYSA-N -1 0 358.350 2.897 20 50 FFGDRM CS(=O)(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001599744289 991906885 /nfs/dbraw/zinc/90/68/85/991906885.db2.gz ROACONYBPNKVCE-LICLKQGHSA-N -1 0 357.387 2.873 20 50 FFGDRM CN(CCCNC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1 ZINC001598480789 992145922 /nfs/dbraw/zinc/14/59/22/992145922.db2.gz WEXRVGQMLLCDJC-UHFFFAOYSA-N -1 0 360.389 2.677 20 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/nfs/dbraw/zinc/99/00/63/988990063.db2.gz JGIFTORATMOLAV-UHFFFAOYSA-N -1 0 357.197 2.744 20 50 FFGDRM CC(C)(CCl)CS(=O)(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC001590700965 990414610 /nfs/dbraw/zinc/41/46/10/990414610.db2.gz AHNRYCXORSJRSP-CQSZACIVSA-N -1 0 361.891 2.647 20 50 FFGDRM CC(C)C(=O)Nc1ccc(C(=O)NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC001590944393 990987282 /nfs/dbraw/zinc/98/72/82/990987282.db2.gz CXWSNFCVQSVAIH-UHFFFAOYSA-N -1 0 355.394 2.665 20 50 FFGDRM COc1cccc2c1CC[C@@H]2NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599690992 991069198 /nfs/dbraw/zinc/06/91/98/991069198.db2.gz WZVOBCFBDWLSSY-HNNXBMFYSA-N -1 0 359.357 2.846 20 50 FFGDRM CN(C)c1cc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc(C(F)(F)F)c1 ZINC001598293532 991210133 /nfs/dbraw/zinc/21/01/33/991210133.db2.gz ZCTFRTRLYWBEBH-UHFFFAOYSA-N -1 0 368.315 2.622 20 50 FFGDRM CC(C)[C@@H]1C[C@@H](CNC(=O)NNc2cccc(C(=O)[O-])c2F)CCO1 ZINC001591074877 991553480 /nfs/dbraw/zinc/55/34/80/991553480.db2.gz LFWHWHMZZCBYJI-FZMZJTMJSA-N -1 0 353.394 2.601 20 50 FFGDRM COc1cccc(NNC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)n1 ZINC001599679741 994959302 /nfs/dbraw/zinc/95/93/02/994959302.db2.gz FQCPURLHQXPWLX-UHFFFAOYSA-N -1 0 354.725 2.730 20 50 FFGDRM C[C@H](Oc1ccc(F)cc1)C(=O)NN[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001593620237 995868745 /nfs/dbraw/zinc/86/87/45/995868745.db2.gz GZVMUHYZNBZROP-ZUZCIYMTSA-N -1 0 366.776 2.693 20 50 FFGDRM C[C@@]1(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)C[C@@H]1Br ZINC001593756496 996408641 /nfs/dbraw/zinc/40/86/41/996408641.db2.gz UAESCPHKGCMYMO-XJKSGUPXSA-N -1 0 370.243 2.720 20 50 FFGDRM COc1ccc(C(=O)NN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC001599483529 996805511 /nfs/dbraw/zinc/80/55/11/996805511.db2.gz BCBPZHIAGBBUIF-AWEZNQCLSA-N -1 0 368.311 2.774 20 50 FFGDRM COc1ccc(C(=O)NNc2ccccc2C(=O)[O-])c(Br)c1 ZINC001599483803 996811188 /nfs/dbraw/zinc/81/11/88/996811188.db2.gz JDKVOJQZJGCPGU-UHFFFAOYSA-N -1 0 365.183 2.913 20 50 FFGDRM COc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1OC(F)F ZINC001599484584 996825733 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COc1cc(SC#N)ccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001599461651 998283190 /nfs/dbraw/zinc/28/31/90/998283190.db2.gz YHMUWOZQPYOVSW-UHFFFAOYSA-N -1 0 365.388 2.734 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001599376915 998501769 /nfs/dbraw/zinc/50/17/69/998501769.db2.gz WCIULLWBEKRADB-HNNXBMFYSA-N -1 0 356.378 2.654 20 50 FFGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)C[C@H]1OCCc2ccccc21 ZINC001599377361 998508581 /nfs/dbraw/zinc/50/85/81/998508581.db2.gz VIAKEPNUVVLYDK-MRXNPFEDSA-N -1 0 356.378 2.541 20 50 FFGDRM COc1ccc(Br)c(NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001599475829 998530970 /nfs/dbraw/zinc/53/09/70/998530970.db2.gz LQZXOIIFERVSHN-NXEZZACHSA-N -1 0 371.231 2.792 20 50 FFGDRM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001594272640 999055568 /nfs/dbraw/zinc/05/55/68/999055568.db2.gz PUJKZROWGNQVRT-IINYFYTJSA-N -1 0 371.368 2.875 20 50 FFGDRM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001594273144 999059032 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373.453 2.589 20 50 FFGDRM N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1nc(-c2ccncc2)cs1 ZINC000833064601 601790918 /nfs/dbraw/zinc/79/09/18/601790918.db2.gz SUYAZGXBTREFSG-XGICHPGQSA-N -1 0 365.374 2.777 20 50 FFGDRM CCOc1cc(C(=O)NNc2cc(C)ccc2F)ccc1OCC(=O)[O-] ZINC000830038205 602050298 /nfs/dbraw/zinc/05/02/98/602050298.db2.gz NBVXHTWVEQISNF-UHFFFAOYSA-N -1 0 362.357 2.753 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2ccnc(Br)c2)ccc1[N+](=O)[O-] ZINC000833352863 602296297 /nfs/dbraw/zinc/29/62/97/602296297.db2.gz BAKJFZMUAYTQRP-UHFFFAOYSA-N -1 0 367.111 2.670 20 50 FFGDRM C[C@H](C(=O)NNc1ccccc1[N+](=O)[O-])[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702969 603214184 /nfs/dbraw/zinc/21/41/84/603214184.db2.gz MGGNZCUMTKDCFF-XHDPSFHLSA-N -1 0 358.354 2.683 20 50 FFGDRM O=C([O-])N[C@@H](CC(=O)NNc1ccc(F)c(F)c1F)Cc1ccccc1 ZINC000832104749 603557733 /nfs/dbraw/zinc/55/77/33/603557733.db2.gz IIBFTZXVDODOPJ-LLVKDONJSA-N -1 0 367.327 2.816 20 50 FFGDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNC(=O)CC(C)(C)C ZINC000829187155 603566484 /nfs/dbraw/zinc/56/64/84/603566484.db2.gz DSERZVYNJODSCI-UHFFFAOYSA-N -1 0 357.794 2.636 20 50 FFGDRM Cc1cc(NNC(=O)C[C@@H]2CCCN2C(=O)[O-])ccc1Br ZINC000830122512 603621028 /nfs/dbraw/zinc/62/10/28/603621028.db2.gz MXZPCXUGIXEYTB-NSHDSACASA-N -1 0 356.220 2.733 20 50 FFGDRM O=C([O-])N1CCC(C=NNC(=O)c2cccc(Br)c2)CC1 ZINC000831730855 603860596 /nfs/dbraw/zinc/86/05/96/603860596.db2.gz ODDSCSXDSAHKFN-UHFFFAOYSA-N -1 0 354.204 2.555 20 50 FFGDRM Cc1nc(Cl)cc(NNC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)n1 ZINC000830764047 603919691 /nfs/dbraw/zinc/91/96/91/603919691.db2.gz HHYIQWPFAWXSPD-GFCCVEGCSA-N -1 0 363.805 2.671 20 50 FFGDRM Cc1ccc(NC(=O)NNC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c(Cl)c1 ZINC000830390025 604033272 /nfs/dbraw/zinc/03/32/72/604033272.db2.gz AUANKYUYYHBUDW-WDEREUQCSA-N -1 0 368.821 2.628 20 50 FFGDRM CCOc1ccc(/C=C(\C#N)C(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1 ZINC000827427259 604193943 /nfs/dbraw/zinc/19/39/43/604193943.db2.gz HFKSXXPKBIGDTR-AHEZAYJZSA-N -1 0 371.437 2.887 20 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50 FFGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc(Cl)c(Br)c1 ZINC000834228916 606009779 /nfs/dbraw/zinc/00/97/79/606009779.db2.gz SUENVQSGZXVMAI-UHFFFAOYSA-N -1 0 362.611 2.600 20 50 FFGDRM CC(C)(C)c1ccccc1C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824136690 608575556 /nfs/dbraw/zinc/57/55/56/608575556.db2.gz VCGWFRQASSDMIH-UHFFFAOYSA-N -1 0 371.832 2.970 20 50 FFGDRM CCc1ccc([C@H](C)C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)cc1 ZINC000825704612 608576634 /nfs/dbraw/zinc/57/66/34/608576634.db2.gz KNBOVGKKKWUTIE-JTQLQIEISA-N -1 0 371.832 2.724 20 50 FFGDRM CCc1ccc([C@@H](C)C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)cc1 ZINC000825704613 608576785 /nfs/dbraw/zinc/57/67/85/608576785.db2.gz KNBOVGKKKWUTIE-SNVBAGLBSA-N -1 0 371.832 2.724 20 50 FFGDRM CCCCC[C@H](C)CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825267152 608578180 /nfs/dbraw/zinc/57/81/80/608578180.db2.gz JALKNZNQXJDHEH-JTQLQIEISA-N -1 0 351.842 2.965 20 50 FFGDRM CC(C)(C)SCCCC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000824123351 608581073 /nfs/dbraw/zinc/58/10/73/608581073.db2.gz FUHJUMDHOJMGNG-UHFFFAOYSA-N -1 0 369.882 2.670 20 50 FFGDRM O=C(CC=Cc1ccc(F)cc1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826404438 608625322 /nfs/dbraw/zinc/62/53/22/608625322.db2.gz AMJITZXPYVKXJQ-OWOJBTEDSA-N -1 0 373.779 2.601 20 50 FFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)C(C)(C)c2ccc(F)cc2)o1 ZINC000735939234 944718934 /nfs/dbraw/zinc/71/89/34/944718934.db2.gz LUSRSXIBTYFGTF-UHFFFAOYSA-N -1 0 373.392 2.538 20 50 FFGDRM O=C([O-])CCCCC(=O)NNC(=O)c1cc2c(s1)CCCCCC2 ZINC001595032689 951381438 /nfs/dbraw/zinc/38/14/38/951381438.db2.gz KGASICQCTOJONI-UHFFFAOYSA-N -1 0 352.456 2.813 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(Oc2ccccc2)nc1 ZINC001594781004 953629036 /nfs/dbraw/zinc/62/90/36/953629036.db2.gz CELSECJCNHUBPT-UHFFFAOYSA-N -1 0 350.334 2.724 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1cccc(NCc2ccccn2)c1 ZINC001594781909 953638749 /nfs/dbraw/zinc/63/87/49/953638749.db2.gz XWGUUJUUNUIFEC-UHFFFAOYSA-N -1 0 363.377 2.544 20 50 FFGDRM C[C@@H]1CCN(C(=O)[C@]2(c3ccccc3)C[C@@H]2Br)C[C@H]1C(=O)[O-] ZINC001589337660 954007789 /nfs/dbraw/zinc/00/77/89/954007789.db2.gz XOAMHCBPMHAJTF-CVGURMSBSA-N -1 0 366.255 2.661 20 50 FFGDRM CC(C)(C)c1ccc(C(=O)NNC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000736298010 955216483 /nfs/dbraw/zinc/21/64/83/955216483.db2.gz ZCUXRCVYUOGMBG-UHFFFAOYSA-N -1 0 361.442 2.572 20 50 FFGDRM COc1ccc(CCNC(=O)/C(C#N)=C\c2cccc(C(=O)[O-])c2)cc1 ZINC000774114280 955326233 /nfs/dbraw/zinc/32/62/33/955326233.db2.gz JDBCJGCHCLBSPV-ATVHPVEESA-N -1 0 350.374 2.659 20 50 FFGDRM Cc1cc(C)c2c(N)c(C(=O)NN=C3CCC(C(=O)[O-])CC3)sc2n1 ZINC000814777161 955362177 /nfs/dbraw/zinc/36/21/77/955362177.db2.gz NMLRVWUZYLJRKK-UHFFFAOYSA-N -1 0 360.439 2.856 20 50 FFGDRM Cc1ccc(NC(=O)NNC(=O)NC[C@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC000818627832 955417424 /nfs/dbraw/zinc/41/74/24/955417424.db2.gz NTNJOONYFMXCRM-NSHDSACASA-N -1 0 370.837 2.731 20 50 FFGDRM CC(C)Cn1ncc(NC(=O)NNc2ncccc2C(=O)[O-])c1C1CC1 ZINC001603056768 972125835 /nfs/dbraw/zinc/12/58/35/972125835.db2.gz XUIGYSYXGFMJFG-UHFFFAOYSA-N -1 0 358.402 2.658 20 50 FFGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1C ZINC001594024900 957702895 /nfs/dbraw/zinc/70/28/95/957702895.db2.gz ZZNBBOWZGTUDKP-UWKDKTGGSA-N -1 0 373.453 2.514 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1c[nH]nc1-c1cc2ccccc2o1 ZINC001574820981 957910124 /nfs/dbraw/zinc/91/01/24/957910124.db2.gz XJZADMNMNFDPBV-UHFFFAOYSA-N -1 0 363.333 2.673 20 50 FFGDRM COc1ccc(Br)c(NNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC001594075400 958218163 /nfs/dbraw/zinc/21/81/63/958218163.db2.gz OSOCORZWYDIFHB-OAHLLOKOSA-N -1 0 369.215 2.712 20 50 FFGDRM COc1ccc(OC(C)C)c(NC(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001594107346 958479182 /nfs/dbraw/zinc/47/91/82/958479182.db2.gz JXISOOVFOAUVQX-UHFFFAOYSA-N -1 0 360.370 2.724 20 50 FFGDRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001603277378 972500908 /nfs/dbraw/zinc/50/09/08/972500908.db2.gz VVGSJKIIBCUJSL-LBPRGKRZSA-N -1 0 357.410 2.988 20 50 FFGDRM CC(C)[C@@H](CNC(=O)NNc1cc(F)ccc1Br)C(=O)[O-] ZINC001588824867 961660346 /nfs/dbraw/zinc/66/03/46/961660346.db2.gz DHRXIBJTTCSLBT-SECBINFHSA-N -1 0 362.199 2.571 20 50 FFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CCCCC(=O)c1ccc(F)cc1 ZINC001574524766 961873802 /nfs/dbraw/zinc/87/38/02/961873802.db2.gz YYNVDKYQUKDJFB-UHFFFAOYSA-N -1 0 359.357 2.805 20 50 FFGDRM O=C([O-])CCc1cccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2F)c1 ZINC001574709957 962700464 /nfs/dbraw/zinc/70/04/64/962700464.db2.gz KAHYJICHNXSPES-UHFFFAOYSA-N -1 0 362.317 2.900 20 50 FFGDRM CC(C)[C@H](CNC(=O)NNc1ccc(F)cc1Br)C(=O)[O-] ZINC000848587403 969265293 /nfs/dbraw/zinc/26/52/93/969265293.db2.gz GVTJDDOKJYSDRG-VIFPVBQESA-N -1 0 362.199 2.571 20 50 FFGDRM Cc1c(NNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cccc1[N+](=O)[O-] ZINC000848596712 969269802 /nfs/dbraw/zinc/26/98/02/969269802.db2.gz WEGZNGYFVXLVBA-SDDRHHMPSA-N -1 0 364.402 2.665 20 50 FFGDRM O=C(NNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)Nc1ccc(-c2ccccc2)cc1 ZINC001574819353 969876722 /nfs/dbraw/zinc/87/67/22/969876722.db2.gz IEGPOIXZFGHQJX-KOMQPUFPSA-N -1 0 368.393 2.553 20 50 FFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Nc1cccc(Br)c1 ZINC001605820805 972548482 /nfs/dbraw/zinc/54/84/82/972548482.db2.gz FGHAWGHXGJYWAR-UHFFFAOYSA-N -1 0 351.160 2.691 20 50 FFGDRM Cc1ccc(NC(=S)NNC(=O)/C=C\c2ccc(C(=O)[O-])o2)c(C)c1 ZINC001605294369 973106594 /nfs/dbraw/zinc/10/65/94/973106594.db2.gz XIZDYBAOPABZGH-YVMONPNESA-N -1 0 359.407 2.626 20 50 FFGDRM COC(=O)c1cccc(NNC(=O)Nc2cccc(CCC(=O)[O-])c2)c1C ZINC001604402043 973139893 /nfs/dbraw/zinc/13/98/93/973139893.db2.gz VHSNMZVZYXAWQB-UHFFFAOYSA-N -1 0 371.393 2.947 20 50 FFGDRM CC[C@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C ZINC001603489288 973424170 /nfs/dbraw/zinc/42/41/70/973424170.db2.gz XQSJMHMQNQVEHK-HKFHAACFSA-N -1 0 361.442 2.541 20 50 FFGDRM CC(C)O[C@@H]1C[C@H](NC(=O)NNc2ccc(C(=O)[O-])cc2F)C1(C)C ZINC001591695615 975524724 /nfs/dbraw/zinc/52/47/24/975524724.db2.gz LKWFKVXOQLKGBA-UONOGXRCSA-N -1 0 353.394 2.742 20 50 FFGDRM CC(C)Oc1cc(CNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)ccn1 ZINC001591755179 975816167 /nfs/dbraw/zinc/81/61/67/975816167.db2.gz DKKFHXDGGCQMGT-UHFFFAOYSA-N -1 0 362.361 2.532 20 50 FFGDRM CC(C)Oc1ccccc1C(F)(F)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001591801617 976019287 /nfs/dbraw/zinc/01/92/87/976019287.db2.gz RQTGSVYGGNXYIP-UHFFFAOYSA-N -1 0 365.336 2.802 20 50 FFGDRM CC(=O)Nc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1F ZINC000736158563 978306563 /nfs/dbraw/zinc/30/65/63/978306563.db2.gz UPIDGAFXFWYJNT-UHFFFAOYSA-N -1 0 362.269 2.610 20 50 FFGDRM COC(=O)c1cc(NC(=O)NNc2cccc(Cl)c2)cc(C(=O)[O-])c1 ZINC000737663631 978428588 /nfs/dbraw/zinc/42/85/88/978428588.db2.gz ZIEHWEHVFIBUQD-UHFFFAOYSA-N -1 0 363.757 2.973 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N[C@](C)(C(=O)[O-])C2CC2)c1C ZINC000737749715 978442241 /nfs/dbraw/zinc/44/22/41/978442241.db2.gz ZQNBNLWNERAERK-MOHVQHSGSA-N -1 0 373.453 2.589 20 50 FFGDRM COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C)[nH]c2C(=O)[O-])c1C ZINC000737825595 978447262 /nfs/dbraw/zinc/44/72/62/978447262.db2.gz AOWKEIGDPZAKJX-OQLLNIDSSA-N -1 0 370.409 2.632 20 50 FFGDRM Cc1c(/C=C(\C#N)C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc(C#N)n1C ZINC000738289973 978512665 /nfs/dbraw/zinc/51/26/65/978512665.db2.gz XTQCZYSGMFMXDD-NHKNYXOTSA-N -1 0 374.400 2.717 20 50 FFGDRM Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cccc(NC(=O)[O-])c2)c1C ZINC000738733738 978598098 /nfs/dbraw/zinc/59/80/98/978598098.db2.gz DXPHRDNGBSMTSV-CYBMUJFWSA-N -1 0 371.393 2.622 20 50 FFGDRM Cc1nn(CCCl)c(C)c1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738923832 978610188 /nfs/dbraw/zinc/61/01/88/978610188.db2.gz ZYOSDSVRHSOYEB-UHFFFAOYSA-N -1 0 364.833 2.801 20 50 FFGDRM O=C([O-])[C@@H]1C[C@H]1C(=O)NNc1ccc(Br)cc1C(F)(F)F ZINC000739550137 978644864 /nfs/dbraw/zinc/64/48/64/978644864.db2.gz WBNBIGFFRVEOMN-RNFRBKRXSA-N -1 0 367.121 2.632 20 50 FFGDRM CN(Cc1ccccc1)C(=O)/C(C#N)=C\c1ccc(OCC(=O)[O-])cc1 ZINC000787150353 978795699 /nfs/dbraw/zinc/79/56/99/978795699.db2.gz OHMISFPQUYWLIJ-BOPFTXTBSA-N -1 0 350.374 2.716 20 50 FFGDRM C[C@H](Oc1ccc(C=NNC(=O)c2ccc3ccccc3n2)cc1)C(=O)[O-] ZINC000794856363 978822916 /nfs/dbraw/zinc/82/29/16/978822916.db2.gz JDHMWRYROYOWHH-ZDUSSCGKSA-N -1 0 363.373 2.851 20 50 FFGDRM Cc1ccc(-c2cc(C(=O)NN=C3CC[C@@H](CC(=O)[O-])[C@@H]3C)[nH]n2)cc1 ZINC000814805108 978886560 /nfs/dbraw/zinc/88/65/60/978886560.db2.gz RMFHDJRTNJCKLB-JSGCOSHPSA-N -1 0 354.410 2.992 20 50 FFGDRM CCC(O)(CC)C(C)(C)CNC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595322366 980512428 /nfs/dbraw/zinc/51/24/28/980512428.db2.gz XBRCYUZXLBWNSL-UHFFFAOYSA-N -1 0 351.447 2.517 20 50 FFGDRM CC[C@H](OC(=O)/C(C#N)=C\c1cc(C)n(C[C@H]2CCCO2)c1C)C(=O)[O-] ZINC001595332697 980580874 /nfs/dbraw/zinc/58/08/74/980580874.db2.gz ZMZTYILPZHLHJU-DNQJIUQOSA-N -1 0 360.410 2.597 20 50 FFGDRM CC[C@H](OC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)C(=O)[O-] ZINC001595332700 980580952 /nfs/dbraw/zinc/58/09/52/980580952.db2.gz ZMZTYILPZHLHJU-NPTTZVSOSA-N -1 0 360.410 2.597 20 50 FFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(C(=O)[O-])ns2)c1C ZINC001596108548 983434669 /nfs/dbraw/zinc/43/46/69/983434669.db2.gz BQRGWHABEMIUCC-GHXNOFRVSA-N -1 0 359.411 2.610 20 50 FFGDRM CCNc1ncc(C(=O)NNc2ccc(C(=O)[O-])cc2F)cc1Cl ZINC001596507670 984266554 /nfs/dbraw/zinc/26/65/54/984266554.db2.gz OWULQYXVXBWPJR-UHFFFAOYSA-N -1 0 352.753 2.761 20 50 FFGDRM C=CCOc1ccc(CNC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001588873964 984446557 /nfs/dbraw/zinc/44/65/57/984446557.db2.gz PAHXYUKNMKRWBO-UHFFFAOYSA-N -1 0 359.357 2.915 20 50 FFGDRM CCOC(=O)Nc1ccc(F)c(C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC001596679380 984762300 /nfs/dbraw/zinc/76/23/00/984762300.db2.gz HGXXDFJHQDQLOA-UHFFFAOYSA-N -1 0 361.329 2.849 20 50 FFGDRM CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(C(=O)[O-])n2)cc1 ZINC001596723615 984971554 /nfs/dbraw/zinc/97/15/54/984971554.db2.gz NJIXMBMVCLNUBI-JLHYYAGUSA-N -1 0 365.345 2.502 20 50 FFGDRM CC(=O)N[C@@H](CC(=O)NNc1cccc(F)c1C(=O)[O-])c1ccc(C)cc1 ZINC001589110846 985346342 /nfs/dbraw/zinc/34/63/42/985346342.db2.gz GVSIKNOGBJWDSH-INIZCTEOSA-N -1 0 373.384 2.543 20 50 FFGDRM CCOc1cc(C)ccc1CNC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001597030883 986445769 /nfs/dbraw/zinc/44/57/69/986445769.db2.gz FHXMPYWWLLUWEA-UHFFFAOYSA-N -1 0 357.410 2.847 20 50 FFGDRM CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC001597082118 986630985 /nfs/dbraw/zinc/63/09/85/986630985.db2.gz WPUXRMBGTYMKNW-HJTPGIPUSA-N -1 0 356.300 2.514 20 50 FFGDRM CC[C@H](C(=O)NNC(=O)Nc1cccc(C(=O)[O-])c1OC)c1ccccc1 ZINC001594737514 987281384 /nfs/dbraw/zinc/28/13/84/987281384.db2.gz WVKATFSACHDAJC-ZDUSSCGKSA-N -1 0 371.393 2.740 20 50 FFGDRM CCc1c(C(=O)NNc2cc(C(=O)[O-])ccc2Br)ccn1C ZINC001597406934 987689087 /nfs/dbraw/zinc/68/90/87/987689087.db2.gz AVIBOWGDKDPNRD-UHFFFAOYSA-N -1 0 366.215 2.805 20 50 FFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001589698349 987779681 /nfs/dbraw/zinc/77/96/81/987779681.db2.gz ASTBDNHDOOWOAC-JSGCOSHPSA-N -1 0 356.260 2.998 20 50 FFGDRM CC(C)(C)[C@H](Br)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001589699729 987786602 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20 50 FFGDRM CC(C)(CCl)CS(=O)(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001590701716 990418475 /nfs/dbraw/zinc/41/84/75/990418475.db2.gz OYACVGLEOFMVPY-CQSZACIVSA-N -1 0 373.902 2.989 20 50 FFGDRM CN(C)NC(=O)Nc1cccc(NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC001598257070 991070622 /nfs/dbraw/zinc/07/06/22/991070622.db2.gz FTBRWDDAOZCCFF-UHFFFAOYSA-N -1 0 370.409 2.554 20 50 FFGDRM CN1CCc2[nH]c3ccc(C(=O)NNc4ccccc4C(=O)[O-])cc3c2C1 ZINC001598626875 994111967 /nfs/dbraw/zinc/11/19/67/994111967.db2.gz UBEJUEDKLAGJKC-UHFFFAOYSA-N -1 0 364.405 2.611 20 50 FFGDRM COc1cccc(C=C(C#N)C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001599663824 994696840 /nfs/dbraw/zinc/69/68/40/994696840.db2.gz FRIZUPWKKXGHTC-LZYBPNLTSA-N -1 0 365.341 2.726 20 50 FFGDRM COc1cccc(/C=C(/C#N)C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001599665117 994717820 /nfs/dbraw/zinc/71/78/20/994717820.db2.gz PQOSDDOCYNJZHE-CFINBHSISA-N -1 0 351.358 2.841 20 50 FFGDRM COC(=O)[C@@H](C)c1ccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC001598691978 995080222 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ZINC001605715839 974146269 /nfs/dbraw/zinc/14/62/69/974146269.db2.gz AAIOJVMCCZNDSE-UHFFFAOYSA-N -1 0 367.188 2.695 20 50 FFGDRM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001591837623 976115150 /nfs/dbraw/zinc/11/51/50/976115150.db2.gz YHFCLWBSLNCERP-CYBMUJFWSA-N -1 0 369.393 2.516 20 50 FFGDRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001591889695 976254783 /nfs/dbraw/zinc/25/47/83/976254783.db2.gz ALAANWIUFYHYCS-ZDUSSCGKSA-N -1 0 369.393 2.516 20 50 FFGDRM CC(C)n1ncc2cc(NC(=O)NNc3cccc(C(=O)[O-])c3F)cnc21 ZINC001592162882 977045481 /nfs/dbraw/zinc/04/54/81/977045481.db2.gz IFGLXVVEXGOFCR-UHFFFAOYSA-N -1 0 372.360 2.998 20 50 FFGDRM CC(C)n1ncc2cc(NC(=O)NNc3ccc(F)c(C(=O)[O-])c3)cnc21 ZINC001592163289 977051314 /nfs/dbraw/zinc/05/13/14/977051314.db2.gz VIUJVJNNKHHUBA-UHFFFAOYSA-N -1 0 372.360 2.998 20 50 FFGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNc1ccc(Br)cc1Cl ZINC000736373324 978324044 /nfs/dbraw/zinc/32/40/44/978324044.db2.gz CGYYJJZIBYTHSK-JTQLQIEISA-N -1 0 364.627 2.838 20 50 FFGDRM C[C@H](Oc1ccc(F)cc1)C(=O)NN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736703339 978350288 /nfs/dbraw/zinc/35/02/88/978350288.db2.gz QFPWQVJCUYKBPR-ZUZCIYMTSA-N -1 0 366.776 2.693 20 50 FFGDRM CCC(=O)c1ccc(OCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000736848251 978361003 /nfs/dbraw/zinc/36/10/03/978361003.db2.gz IKSDKSWYQKIEDU-UHFFFAOYSA-N -1 0 373.317 2.870 20 50 FFGDRM CCC(=O)Nc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000736847418 978361111 /nfs/dbraw/zinc/36/11/11/978361111.db2.gz CWFIENWVWCEMAB-UHFFFAOYSA-N -1 0 358.306 2.861 20 50 FFGDRM CN(CCCC(=O)Oc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000737438387 978408711 /nfs/dbraw/zinc/40/87/11/978408711.db2.gz NZRMZUOITNXFSL-UHFFFAOYSA-N -1 0 361.148 2.653 20 50 FFGDRM Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2NC(=O)[O-])c1C ZINC000738734698 978598047 /nfs/dbraw/zinc/59/80/47/978598047.db2.gz NTQCNQOTJMRFHL-ZDUSSCGKSA-N -1 0 371.393 2.622 20 50 FFGDRM Cn1cc(C(=O)NN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c2ccccc21 ZINC000739023237 978613345 /nfs/dbraw/zinc/61/33/45/978613345.db2.gz TVIRQRZFBKEMMJ-MRXNPFEDSA-N -1 0 357.797 2.892 20 50 FFGDRM O=C([O-])c1ccc(C=NNC(=O)c2cc(F)ccc2Br)o1 ZINC000740124353 978670506 /nfs/dbraw/zinc/67/05/06/978670506.db2.gz WGPGTOMUKBZAFA-UHFFFAOYSA-N -1 0 355.119 2.643 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2cnc(-c3ccccc3)nc2)ccc1[N+](=O)[O-] ZINC000740307043 978674456 /nfs/dbraw/zinc/67/44/56/978674456.db2.gz HJUVHYSRASKIJU-UHFFFAOYSA-N -1 0 365.301 2.969 20 50 FFGDRM Cc1ccc(NCC(=O)NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000794878967 978824697 /nfs/dbraw/zinc/82/46/97/978824697.db2.gz JZLQLJFNSWNXOX-HNNXBMFYSA-N -1 0 369.421 2.718 20 50 FFGDRM Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2c[nH]c(C(=O)[O-])c2)cc1 ZINC000814704519 978874537 /nfs/dbraw/zinc/87/45/37/978874537.db2.gz NIEOIVWGZUITRB-UHFFFAOYSA-N -1 0 350.378 2.884 20 50 FFGDRM C[C@](Cn1cccn1)(NC(=O)CCCC[C@@H]1CCSS1)C(=O)[O-] ZINC001592917560 979895247 /nfs/dbraw/zinc/89/52/47/979895247.db2.gz QVYGFASBWVNABF-IUODEOHRSA-N -1 0 357.501 2.557 20 50 FFGDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595212790 980002646 /nfs/dbraw/zinc/00/26/46/980002646.db2.gz RIMOQIRLYHWFKN-HNNXBMFYSA-N -1 0 371.393 2.934 20 50 FFGDRM CC(C)(C)[C@H](Br)C(=O)N[C@](C)(CC(=O)[O-])c1ccccn1 ZINC000911616193 982550442 /nfs/dbraw/zinc/55/04/42/982550442.db2.gz KLIGZQLWXXVSOL-IUODEOHRSA-N -1 0 357.248 2.697 20 50 FFGDRM CCCCc1ccc(NC(=S)NNC(=O)C23CC(C(=O)[O-])(C2)C3)cc1 ZINC001595796138 982600580 /nfs/dbraw/zinc/60/05/80/982600580.db2.gz HPEJUHZLLZBVPR-UHFFFAOYSA-N -1 0 361.467 2.602 20 50 FFGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ocnc2C(=O)[O-])c1C ZINC001595802708 982621113 /nfs/dbraw/zinc/62/11/13/982621113.db2.gz LJSCZWZTBBRILX-NVNXTCNLSA-N -1 0 370.409 2.815 20 50 FFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2oncc2C(=O)[O-])c1C ZINC001596108848 983436144 /nfs/dbraw/zinc/43/61/44/983436144.db2.gz RYSKLKALLBLVAR-VGOFMYFVSA-N -1 0 357.366 2.852 20 50 FFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)c1C ZINC001596108875 983436564 /nfs/dbraw/zinc/43/65/64/983436564.db2.gz UDJJREGFKJSPPR-GMRNYLDCSA-N -1 0 355.438 2.647 20 50 FFGDRM CCN(CCNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1C ZINC001596334245 983775485 /nfs/dbraw/zinc/77/54/85/983775485.db2.gz AXTROZPJARFDIW-UHFFFAOYSA-N -1 0 374.416 2.985 20 50 FFGDRM CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001589012327 984991472 /nfs/dbraw/zinc/99/14/72/984991472.db2.gz HVZOPJNKYDCOGG-UHFFFAOYSA-N -1 0 363.320 2.974 20 50 FFGDRM CC(=O)Nc1ccc(C)c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC001589190135 985590421 /nfs/dbraw/zinc/59/04/21/985590421.db2.gz XWIZEAQSWPONQY-UHFFFAOYSA-N -1 0 358.306 2.779 20 50 FFGDRM CCOc1nc2cc(C(=O)NNc3cccc(C(=O)[O-])c3F)ccc2[nH]1 ZINC001597196751 987088314 /nfs/dbraw/zinc/08/83/14/987088314.db2.gz SHWXJCQHYIKWGB-UHFFFAOYSA-N -1 0 358.329 2.556 20 50 FFGDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NNC(=O)c2cc3c(s2)CCC3)cc1 ZINC001589513015 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O=C([O-])N[C@H](CC(=O)NNc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000834126248 605632011 /nfs/dbraw/zinc/63/20/11/605632011.db2.gz JTTQRVNHSOSVCX-LLVKDONJSA-N -1 0 368.315 2.943 20 50 FFGDRM O=C([O-])N1CCC(CC(=O)NNc2ccccc2Br)CC1 ZINC000833986765 605716800 /nfs/dbraw/zinc/71/68/00/605716800.db2.gz AMPIIWKYVWIAGV-UHFFFAOYSA-N -1 0 356.220 2.672 20 50 FFGDRM O=C([O-])NC1(CC(=O)NNc2ccc(F)cc2Br)CCC1 ZINC000834155424 605717474 /nfs/dbraw/zinc/71/74/74/605717474.db2.gz OJKUJVRVIXBJEY-UHFFFAOYSA-N -1 0 360.183 2.612 20 50 FFGDRM O=C([O-])NC1(CC(=O)NNc2ccc(Br)cc2F)CCC1 ZINC000834155963 605720800 /nfs/dbraw/zinc/72/08/00/605720800.db2.gz SZOVWQQZRGVYSO-UHFFFAOYSA-N -1 0 360.183 2.612 20 50 FFGDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833472040 605721157 /nfs/dbraw/zinc/72/11/57/605721157.db2.gz RDKFMXACNCSYCB-KRWDZBQOSA-N -1 0 353.378 2.803 20 50 FFGDRM CC(=O)c1cccc(OCCCC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833403156 605737077 /nfs/dbraw/zinc/73/70/77/605737077.db2.gz 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CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)c2ccc(Cl)c(F)c2)o1 ZINC000824358519 608237435 /nfs/dbraw/zinc/23/74/35/608237435.db2.gz MEKMJROSASGVEA-UHFFFAOYSA-N -1 0 365.756 2.528 20 50 FFGDRM O=C([O-])CCc1cccc(NC(=O)NN=c2cnc3ccccc3[nH]2)c1 ZINC001611459584 971062832 /nfs/dbraw/zinc/06/28/32/971062832.db2.gz RKZCVQLDVQUKGW-UHFFFAOYSA-N -1 0 351.366 2.796 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1c2c(sc1-n1cccc1)CCC2 ZINC001595262109 949679148 /nfs/dbraw/zinc/67/91/48/949679148.db2.gz QLMWOHGSVRXXFD-UHFFFAOYSA-N -1 0 368.418 2.878 20 50 FFGDRM O=C([O-])CCCCCNC(=O)NNc1cc(Br)ccc1F ZINC001595038530 951416180 /nfs/dbraw/zinc/41/61/80/951416180.db2.gz FNZKUXNNBOGYBL-UHFFFAOYSA-N -1 0 362.199 2.859 20 50 FFGDRM O=C([O-])c1ncccc1NC(=O)NNc1ccc(Br)c(F)c1 ZINC001594780074 953622046 /nfs/dbraw/zinc/62/20/46/953622046.db2.gz HENFEWMHSONWHO-UHFFFAOYSA-N -1 0 369.150 2.830 20 50 FFGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1cc(C#N)ccc1Br ZINC001589476032 954958821 /nfs/dbraw/zinc/95/88/21/954958821.db2.gz QQSDJXQCMTZESP-UHFFFAOYSA-N -1 0 354.204 2.655 20 50 FFGDRM O=C([O-])C1CCC(=NNC(=O)COc2ccc(Br)cc2)CC1 ZINC000814724517 955358740 /nfs/dbraw/zinc/35/87/40/955358740.db2.gz PZDBAMGEUPAMHL-UHFFFAOYSA-N -1 0 369.215 2.575 20 50 FFGDRM CCC(CC)(CNC(=O)NNC(=O)c1cccc2ccccc21)C(=O)[O-] ZINC000818626667 955415342 /nfs/dbraw/zinc/41/53/42/955415342.db2.gz FEKDDAJIBNDYOS-UHFFFAOYSA-N -1 0 357.410 2.675 20 50 FFGDRM O=C([O-])CCCCNC(=O)NNc1ncc(C(F)(F)F)cc1Cl ZINC000821518933 955510493 /nfs/dbraw/zinc/51/04/93/955510493.db2.gz SLFHHKAIUQBECF-UHFFFAOYSA-N -1 0 354.716 2.635 20 50 FFGDRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CCCC[C@@H]1CCSS1 ZINC000848458124 955748430 /nfs/dbraw/zinc/74/84/30/955748430.db2.gz OIGITAPQOAWASU-ZIAGYGMSSA-N -1 0 354.497 2.908 20 50 FFGDRM Cc1cc(Br)ccc1NNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594273311 957687457 /nfs/dbraw/zinc/68/74/57/957687457.db2.gz ACWIERCBQJSCQT-UHFFFAOYSA-N -1 0 365.187 2.999 20 50 FFGDRM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001603276914 972498993 /nfs/dbraw/zinc/49/89/93/972498993.db2.gz QVPKMUTVHWYCNX-QMMMGPOBSA-N -1 0 370.192 2.997 20 50 FFGDRM Cc1cc(NNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)ccc1Cl ZINC001574343326 960951100 /nfs/dbraw/zinc/95/11/00/960951100.db2.gz PNJXWPBUWUGODB-MRXNPFEDSA-N -1 0 372.812 2.811 20 50 FFGDRM CCOC(=O)C=Cc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001573895164 961389818 /nfs/dbraw/zinc/38/98/18/961389818.db2.gz WAZAUHLSFRVWIG-JXMROGBWSA-N -1 0 370.365 2.505 20 50 FFGDRM CC(C)C[C@H](CNC(=O)[C@]1(c2ccccc2)C[C@H]1Br)C(=O)[O-] ZINC001588847336 961898339 /nfs/dbraw/zinc/89/83/39/961898339.db2.gz MGCNGVDRCYEDRX-MRRJBJDNSA-N -1 0 368.271 2.955 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cccc(COCC2CC2)c1 ZINC001574579128 962096246 /nfs/dbraw/zinc/09/62/46/962096246.db2.gz VZNQPBVOQNYUIK-UHFFFAOYSA-N -1 0 356.382 2.855 20 50 FFGDRM CC(C)c1cc(C(=O)NNc2ncccc2C(=O)[O-])nn1-c1ccccc1 ZINC001588964186 962645463 /nfs/dbraw/zinc/64/54/63/962645463.db2.gz WNOIMZSTYPTXKW-UHFFFAOYSA-N -1 0 365.393 2.846 20 50 FFGDRM COc1ccc(-c2ncc(C(=O)NNc3ncccc3C(=O)[O-])s2)cc1 ZINC001574193644 962856993 /nfs/dbraw/zinc/85/69/93/962856993.db2.gz AGKCLLGCYQMUJA-UHFFFAOYSA-N -1 0 370.390 2.669 20 50 FFGDRM CC(C)[C@@H](CNC(=O)NNc1ccc(F)cc1Br)C(=O)[O-] ZINC000848587402 969265754 /nfs/dbraw/zinc/26/57/54/969265754.db2.gz GVTJDDOKJYSDRG-SECBINFHSA-N -1 0 362.199 2.571 20 50 FFGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNc2ncc(Br)cc2C)c1 ZINC001605141407 972819272 /nfs/dbraw/zinc/81/92/72/972819272.db2.gz TUVSIOMFFDGAMH-UHFFFAOYSA-N -1 0 364.199 2.916 20 50 FFGDRM CC(C)O[C@H]1C[C@H](NC(=O)NNc2ccc(C(=O)[O-])cc2F)C1(C)C ZINC001591695610 975525038 /nfs/dbraw/zinc/52/50/38/975525038.db2.gz LKWFKVXOQLKGBA-KBPBESRZSA-N -1 0 353.394 2.742 20 50 FFGDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NNC(=O)OC(C)(C)C ZINC001591769604 975893147 /nfs/dbraw/zinc/89/31/47/975893147.db2.gz QOTFMBMKWYJZJT-UHFFFAOYSA-N -1 0 353.375 2.733 20 50 FFGDRM Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000734305461 978301406 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C=CCOc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)cc1OC ZINC000833377818 604648003 /nfs/dbraw/zinc/64/80/03/604648003.db2.gz OJEMOKPSMJWSTH-UHFFFAOYSA-N -1 0 372.377 2.724 20 50 FFGDRM COCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C2(C(=O)[O-])CCCC2)c1C ZINC000831801177 604723401 /nfs/dbraw/zinc/72/34/01/604723401.db2.gz ZIYRSLUVXCOPBH-SFQUDFHCSA-N -1 0 373.453 2.514 20 50 FFGDRM CC(C)c1nc(C#N)c(NNC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)o1 ZINC000824481729 604786913 /nfs/dbraw/zinc/78/69/13/604786913.db2.gz CIZWRVQKHWZNMQ-LLVKDONJSA-N -1 0 363.418 2.529 20 50 FFGDRM Cc1ccc(F)c(NC(=S)NNC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832935706 604817347 /nfs/dbraw/zinc/81/73/47/604817347.db2.gz KAILWBLWKAOJRI-UHFFFAOYSA-N -1 0 365.361 2.603 20 50 FFGDRM O=C([O-])c1ccc(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)cc1F ZINC000833149609 604822746 /nfs/dbraw/zinc/82/27/46/604822746.db2.gz WITIHKHCWBTQEH-UHFFFAOYSA-N -1 0 370.258 2.618 20 50 FFGDRM CC(C)(C)[C@H]1CCc2sc(C(=O)NN[C@H](C(=O)[O-])C3CC3)cc2C1 ZINC000833424073 605062022 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Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)C(=O)[O-])c(C)n1-c1cccc(C)c1 ZINC000738307518 955237528 /nfs/dbraw/zinc/23/75/28/955237528.db2.gz ZMWBJSSDASHDSR-NGWPFTMJSA-N -1 0 351.406 2.899 20 50 FFGDRM Cc1cc(/C=C(/C#N)C(=O)Nc2cnn(CC(=O)[O-])c2)c(C)n1CC(C)C ZINC000738379815 955238861 /nfs/dbraw/zinc/23/88/61/955238861.db2.gz SVUQFKLNXWPIIZ-SOFYXZRVSA-N -1 0 369.425 2.588 20 50 FFGDRM CCC(CC)(CNC(=O)NNC(=O)Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000818627794 955418037 /nfs/dbraw/zinc/41/80/37/955418037.db2.gz YZOATRREMPFWFJ-UHFFFAOYSA-N -1 0 371.437 2.604 20 50 FFGDRM C[C@H]1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)C[C@H]1C(=O)[O-] ZINC000843304665 955623873 /nfs/dbraw/zinc/62/38/73/955623873.db2.gz OIVHHKKWJYIOGW-SWLSCSKDSA-N -1 0 359.875 2.589 20 50 FFGDRM N#Cc1ccc(Br)c(NNC(=O)NCCCCCC(=O)[O-])c1 ZINC001594617127 956246372 /nfs/dbraw/zinc/24/63/72/956246372.db2.gz DMXDRNOAEUPBQG-UHFFFAOYSA-N -1 0 369.219 2.592 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)COc1cc(Cl)ccc1Cl ZINC001594702632 956818192 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Cc1c(/C=C(\C#N)C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc(C#N)n1C ZINC000832853896 601461652 /nfs/dbraw/zinc/46/16/52/601461652.db2.gz WLCZTMPYXNWAJX-XXLSNGBASA-N -1 0 353.334 2.708 20 50 FFGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@@H]2C(=O)[O-])c1C ZINC000831651405 601628027 /nfs/dbraw/zinc/62/80/27/601628027.db2.gz YBTJDUUEZJLCSS-YQKSZQHPSA-N -1 0 373.453 2.685 20 50 FFGDRM N#Cc1cccc(C(=O)NN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000833074496 601974973 /nfs/dbraw/zinc/97/49/73/601974973.db2.gz ZABRPVJTFRNCQP-AWEZNQCLSA-N -1 0 364.188 2.925 20 50 FFGDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NNc2ccc(Br)cc2)C1 ZINC000832327454 603455707 /nfs/dbraw/zinc/45/57/07/603455707.db2.gz YGIDTVVOMRKAFK-SKDRFNHKSA-N -1 0 356.220 2.719 20 50 FFGDRM CC(C)c1ccccc1NC(=S)NNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000824476872 603554236 /nfs/dbraw/zinc/55/42/36/603554236.db2.gz ULJWGOKSXQYEQT-VXGBXAGGSA-N -1 0 364.471 2.564 20 50 FFGDRM Cc1cc(NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)ccc1Br ZINC000830121551 603621281 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2.726 20 50 FFGDRM O=C([O-])NC1CCC(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1 ZINC000832276949 604771825 /nfs/dbraw/zinc/77/18/25/604771825.db2.gz FBSRZLCNICDTCQ-UHFFFAOYSA-N -1 0 361.320 2.855 20 50 FFGDRM O=C([O-])c1ccc(C(=O)NNC(=S)Nc2cccc(Cl)c2)cc1F ZINC000833149652 604804724 /nfs/dbraw/zinc/80/47/24/604804724.db2.gz XYLDTYIKHQMCIH-UHFFFAOYSA-N -1 0 367.789 2.809 20 50 FFGDRM CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2ccc(C(=O)[O-])cn2)c1 ZINC000833444216 604806696 /nfs/dbraw/zinc/80/66/96/604806696.db2.gz ASHOTAZVUIBKAF-UHFFFAOYSA-N -1 0 372.381 2.884 20 50 FFGDRM Cc1ccccc1NC(=O)NNC(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1 ZINC000830586712 604824606 /nfs/dbraw/zinc/82/46/06/604824606.db2.gz OKDYMIVCKPDSPM-CYBMUJFWSA-N -1 0 362.430 2.564 20 50 FFGDRM CCc1[nH]c(C(=O)NNC(=S)Nc2ccc(C)cc2C)c(C)c1C(=O)[O-] ZINC000830197578 604959860 /nfs/dbraw/zinc/95/98/60/604959860.db2.gz XVEKCHPVNQMHTN-UHFFFAOYSA-N -1 0 374.466 2.832 20 50 FFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CC(F)F)C(=O)[O-])c1C ZINC000833653264 604998410 /nfs/dbraw/zinc/99/84/10/604998410.db2.gz XRRKBSPZHPVQLY-WTWVRAIASA-N -1 0 353.369 2.647 20 50 FFGDRM Cc1cccc(NC(=S)NNC(=O)CN(C(=O)[O-])c2ccccc2)c1C ZINC000830521377 605252034 /nfs/dbraw/zinc/25/20/34/605252034.db2.gz GPFKXBZTCLNTQM-UHFFFAOYSA-N -1 0 372.450 2.806 20 50 FFGDRM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNc1ccccc1C(=O)[O-] ZINC000833392453 605257660 /nfs/dbraw/zinc/25/76/60/605257660.db2.gz IMISYNKVPQCQQX-GOSISDBHSA-N -1 0 365.389 2.792 20 50 FFGDRM N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1 ZINC000833969085 605454771 /nfs/dbraw/zinc/45/47/71/605454771.db2.gz QFCSYBRIWHHWGA-ORRMDDHSSA-N -1 0 356.382 2.827 20 50 FFGDRM CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC000824758890 605468382 /nfs/dbraw/zinc/46/83/82/605468382.db2.gz DVVMOMPKIDMQJO-NSHDSACASA-N -1 0 361.427 2.776 20 50 FFGDRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1S(=O)(=O)c1ccc(CCCCl)cc1 ZINC000825845822 605537109 /nfs/dbraw/zinc/53/71/09/605537109.db2.gz RCIUWGQKFLZTRV-JSGCOSHPSA-N -1 0 374.890 2.667 20 50 FFGDRM CC(=NNC(=O)NCC(=O)[O-])c1sc(-c2ccc(Cl)cc2)nc1C ZINC000833385066 605584705 /nfs/dbraw/zinc/58/47/05/605584705.db2.gz RUYHZXPCEFXCGE-UHFFFAOYSA-N -1 0 366.830 2.880 20 50 FFGDRM O=C([O-])N1CCc2c1cccc2NC(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000834050200 605659270 /nfs/dbraw/zinc/65/92/70/605659270.db2.gz XGUNPTUNQQFYAD-UHFFFAOYSA-N -1 0 357.326 2.784 20 50 FFGDRM Cc1c(NC(=O)NNc2cccc(C(=O)[O-])c2)cccc1N1CCOC1=O ZINC000833741840 605714590 /nfs/dbraw/zinc/71/45/90/605714590.db2.gz IRGREARAYNQPHG-UHFFFAOYSA-N -1 0 370.365 2.798 20 50 FFGDRM O=C([O-])NCc1ccc(C(=O)NNc2ccc(F)cc2Br)o1 ZINC000834248884 605718282 /nfs/dbraw/zinc/71/82/82/605718282.db2.gz KAOAYPRBHUKKSL-UHFFFAOYSA-N -1 0 372.150 2.706 20 50 FFGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1noc(-c2ccccc2)n1 ZINC000833520790 605745688 /nfs/dbraw/zinc/74/56/88/605745688.db2.gz HYBQEJFWOMZFNT-LLVKDONJSA-N -1 0 367.365 2.822 20 50 FFGDRM Cc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)ccc1NC(=O)[O-] ZINC000829961257 605803514 /nfs/dbraw/zinc/80/35/14/605803514.db2.gz FEDXLNBPALIDAU-UHFFFAOYSA-N -1 0 352.350 2.641 20 50 FFGDRM Cc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)ccc1NC(=O)[O-] ZINC000829962189 605804539 /nfs/dbraw/zinc/80/45/39/605804539.db2.gz VLPJUHJQINOKBN-UHFFFAOYSA-N -1 0 366.377 2.651 20 50 FFGDRM Cn1nc(C(=O)[O-])cc1C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1 ZINC001601001365 970901855 /nfs/dbraw/zinc/90/18/55/970901855.db2.gz IYSMUSXUWUYJLA-UHFFFAOYSA-N -1 0 362.695 2.547 20 50 FFGDRM O=C([O-])C1CCC(NC(=O)NNc2cccc(F)c2Br)CC1 ZINC001601560351 971015788 /nfs/dbraw/zinc/01/57/88/971015788.db2.gz BIYCLXAAVDRTIG-UHFFFAOYSA-N -1 0 374.210 2.858 20 50 FFGDRM CCCc1noc2nc(CC)cc(C(=O)NNc3ncccc3C(=O)[O-])c12 ZINC001589693451 950145737 /nfs/dbraw/zinc/14/57/37/950145737.db2.gz PKEFJUXKFHBEIU-UHFFFAOYSA-N -1 0 369.381 2.588 20 50 FFGDRM O=C([O-])CC1(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CCOCC1 ZINC001594978932 950966945 /nfs/dbraw/zinc/96/69/45/950966945.db2.gz XTJFDQCIXHHLDK-UHFFFAOYSA-N -1 0 359.334 2.925 20 50 FFGDRM O=C([O-])COc1ccc(C(=O)NNc2cccc(Br)c2)cc1 ZINC001595119425 951965525 /nfs/dbraw/zinc/96/55/25/951965525.db2.gz UXPQQDSZFHSQLB-UHFFFAOYSA-N -1 0 365.183 2.669 20 50 FFGDRM O=C([O-])c1cc(NC(=O)[C@@]2(c3ccccc3)C[C@@H]2Br)ccn1 ZINC001595207778 952342763 /nfs/dbraw/zinc/34/27/63/952342763.db2.gz GIZWWKNINYXCDG-XJKSGUPXSA-N -1 0 361.195 2.824 20 50 FFGDRM CC(C)(C)c1ccc(C(=O)NNC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001602923024 971883517 /nfs/dbraw/zinc/88/35/17/971883517.db2.gz OXYRMNUQHOVKQP-PKNBQFBNSA-N -1 0 356.378 2.750 20 50 FFGDRM O=C([O-])[C@@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)CC=CCC1 ZINC001594778851 953609964 /nfs/dbraw/zinc/60/99/64/953609964.db2.gz BOMQCNUCCZMINB-HNNXBMFYSA-N -1 0 372.208 2.957 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(Oc2ccccc2)cn1 ZINC001594781914 953638087 /nfs/dbraw/zinc/63/80/87/953638087.db2.gz YBGNHZCGWYZFLS-UHFFFAOYSA-N -1 0 350.334 2.724 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1 ZINC001594781998 953640412 /nfs/dbraw/zinc/64/04/12/953640412.db2.gz NIZRUQORUVIRNR-LBPRGKRZSA-N -1 0 364.308 2.715 20 50 FFGDRM O=C([O-])c1cccc(CNC(=O)NNc2ccc(OC(F)F)cc2)c1 ZINC000821446562 955504766 /nfs/dbraw/zinc/50/47/66/955504766.db2.gz WWKVYLDEXPOTPN-UHFFFAOYSA-N -1 0 351.309 2.813 20 50 FFGDRM C[C@](CNC(=O)/C(C#N)=C/c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001589039355 955580814 /nfs/dbraw/zinc/58/08/14/955580814.db2.gz BLTBKQWPYTYANF-WLEBTQASSA-N -1 0 352.365 2.891 20 50 FFGDRM Cc1cc(Br)cnc1NNC(=O)c1coc(C=CC(=O)[O-])c1 ZINC001594273563 957691403 /nfs/dbraw/zinc/69/14/03/957691403.db2.gz ZIQLWCPMQFYYSH-IHWYPQMZSA-N -1 0 366.171 2.600 20 50 FFGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNc2ncccc2Br)c1 ZINC001594288150 957792543 /nfs/dbraw/zinc/79/25/43/957792543.db2.gz AEFCZTYXTRBVTA-UHFFFAOYSA-N -1 0 350.172 2.608 20 50 FFGDRM C[C@@H](C(=O)[O-])C(=O)NNc1cc(C(F)(F)F)ccc1Br ZINC001573372467 958639801 /nfs/dbraw/zinc/63/98/01/958639801.db2.gz SPSPYDHLFXIVJY-RXMQYKEDSA-N -1 0 355.110 2.632 20 50 FFGDRM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001573500204 959055450 /nfs/dbraw/zinc/05/54/50/959055450.db2.gz PINRZGKLFAUYOH-CQSZACIVSA-N -1 0 363.801 2.980 20 50 FFGDRM CN(c1ccccc1)c1ccc(C(=O)NNc2ncccc2C(=O)[O-])cn1 ZINC001574022113 961971349 /nfs/dbraw/zinc/97/13/49/961971349.db2.gz IUKUGIQHAVODCX-UHFFFAOYSA-N -1 0 363.377 2.700 20 50 FFGDRM CC(C)CCOc1ccc(C(=O)NNC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001588867904 962034357 /nfs/dbraw/zinc/03/43/57/962034357.db2.gz NYSZMDUWTDEKOK-FQEVSTJZSA-N -1 0 374.437 2.684 20 50 FFGDRM CON(C(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C)[C@H](C)C(=O)[O-] ZINC001574168785 962738382 /nfs/dbraw/zinc/73/83/82/962738382.db2.gz GNQHFAGORNOYGQ-DISPHTKASA-N -1 0 361.442 2.921 20 50 FFGDRM O=C([O-])c1ccc(Br)c(NC(=O)NNc2ncccc2F)c1 ZINC001605821223 972553249 /nfs/dbraw/zinc/55/32/49/972553249.db2.gz XULAPIKYKMSGIT-UHFFFAOYSA-N -1 0 369.150 2.830 20 50 FFGDRM Cc1cc(Br)cnc1NNC(=O)C=Cc1ccc(C(=O)[O-])o1 ZINC001605102259 972759318 /nfs/dbraw/zinc/75/93/18/972759318.db2.gz RHUDRBGQLKHLRW-HYXAFXHYSA-N -1 0 366.171 2.600 20 50 FFGDRM O=C([O-])/C=C\c1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)co1 ZINC001606065389 973209352 /nfs/dbraw/zinc/20/93/52/973209352.db2.gz ZCWGYEDLHJYUPB-RQOWECAXSA-N -1 0 351.702 2.696 20 50 FFGDRM CC(C)n1ncc2c1[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)CCC2 ZINC001592156932 977031116 /nfs/dbraw/zinc/03/11/16/977031116.db2.gz ABWMJJFNQRVPAP-HNNXBMFYSA-N -1 0 357.414 2.866 20 50 FFGDRM C[C@@H](CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)NC(=O)C1CCCC1 ZINC001592252578 977482194 /nfs/dbraw/zinc/48/21/94/977482194.db2.gz NCYLLRODIGWGEO-JTQLQIEISA-N -1 0 367.833 2.566 20 50 FFGDRM C[C@@H](CC(=O)NNc1cccc(C(=O)[O-])c1F)N1CCc2ccccc21 ZINC001592253266 977485098 /nfs/dbraw/zinc/48/50/98/977485098.db2.gz TXPHLQHXQVRYLE-LBPRGKRZSA-N -1 0 357.385 2.808 20 50 FFGDRM Cc1c(/C=C(\C#N)C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc(C#N)n1C ZINC000738288883 978511784 /nfs/dbraw/zinc/51/17/84/978511784.db2.gz JSWWLQUUNNGUMN-VIZOYTHASA-N -1 0 363.377 2.518 20 50 FFGDRM O=C([O-])[C@@H]1C[C@H]1C(=O)NNc1c(Cl)cc(Br)cc1Cl ZINC000739545978 978643838 /nfs/dbraw/zinc/64/38/38/978643838.db2.gz DCAGQUVZSVLLCN-PHDIDXHHSA-N -1 0 368.014 2.920 20 50 FFGDRM O=C([O-])c1cc(OC(=O)c2ccn(-c3cccc(F)c3)n2)ccc1[N+](=O)[O-] ZINC000740308492 978675343 /nfs/dbraw/zinc/67/53/43/978675343.db2.gz UQAJNUCUKGXUSS-UHFFFAOYSA-N -1 0 371.280 2.837 20 50 FFGDRM C[C@H](Oc1ccc(C=NNC(=O)C(C)(C)c2ccccc2)cc1)C(=O)[O-] ZINC000794909932 978828150 /nfs/dbraw/zinc/82/81/50/978828150.db2.gz URLAFYCMCQSCGX-AWEZNQCLSA-N -1 0 354.406 2.966 20 50 FFGDRM C[C@@H](COc1ccccc1F)NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592788766 979430699 /nfs/dbraw/zinc/43/06/99/979430699.db2.gz YVLFAOMBTPNVKS-JTQLQIEISA-N -1 0 365.336 2.757 20 50 FFGDRM CCC(CC)[C@H]1C[C@@H](NC(=O)NNc2ccc(CC(=O)[O-])cc2)CCO1 ZINC001595110224 979453786 /nfs/dbraw/zinc/45/37/86/979453786.db2.gz VDSLZBZSQYLAPL-DLBZAZTESA-N -1 0 363.458 2.924 20 50 FFGDRM CCC1(CC)[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2F)C[C@H]1OC ZINC001595373027 980868660 /nfs/dbraw/zinc/86/86/60/980868660.db2.gz BEBWFHXTSJEUGZ-CHWSQXEVSA-N -1 0 353.394 2.744 20 50 FFGDRM CCCCCCOc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001595714477 982308990 /nfs/dbraw/zinc/30/89/90/982308990.db2.gz AZJQDRRERDTICI-GASCZTMLSA-N -1 0 362.426 2.518 20 50 FFGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@](C)(CC(=O)[O-])c1ccccn1 ZINC000911616194 982550879 /nfs/dbraw/zinc/55/08/79/982550879.db2.gz KLIGZQLWXXVSOL-SWLSCSKDSA-N -1 0 357.248 2.697 20 50 FFGDRM COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)[O-])cc2)c1C ZINC000915848976 982667828 /nfs/dbraw/zinc/66/78/28/982667828.db2.gz FYOLPJHDRPDWHU-BOPFTXTBSA-N -1 0 367.405 2.995 20 50 FFGDRM CC[C@H](C)c1nc(C)c(CC(=O)NNc2ccccc2C(=O)[O-])c(C)n1 ZINC001595015116 982958635 /nfs/dbraw/zinc/95/86/35/982958635.db2.gz FEBKAGCXXRIJID-NSHDSACASA-N -1 0 356.426 2.991 20 50 FFGDRM CCN(C)C(=O)c1cccc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001596187139 983559635 /nfs/dbraw/zinc/55/96/35/983559635.db2.gz QSYAQKZDZCGRHK-UHFFFAOYSA-N -1 0 355.394 2.542 20 50 FFGDRM CCN(CCNC(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(C)c1 ZINC001596334356 983776095 /nfs/dbraw/zinc/77/60/95/983776095.db2.gz FLHQSPCQJMHGCH-UHFFFAOYSA-N -1 0 356.426 2.846 20 50 FFGDRM C=CCn1cc2ccc(NC(=O)NNc3ccc(CC(=O)[O-])cc3)cc2n1 ZINC001588909343 984543554 /nfs/dbraw/zinc/54/35/54/984543554.db2.gz QGVWKXUUHJOHBP-UHFFFAOYSA-N -1 0 365.393 2.998 20 50 FFGDRM C[C@H]1CN(C(=O)[C@@]2(c3ccccc3)C[C@@H]2Br)C[C@]1(C)C(=O)[O-] ZINC001599915487 985050425 /nfs/dbraw/zinc/05/04/25/985050425.db2.gz ZWPRYICCRKAVLX-WGGXSYPISA-N -1 0 366.255 2.661 20 50 FFGDRM CCOc1ccc(CCNC(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001597094534 986679277 /nfs/dbraw/zinc/67/92/77/986679277.db2.gz FQDFOBOVWXQYBN-UHFFFAOYSA-N -1 0 361.373 2.791 20 50 FFGDRM C[C@@H]1Cc2ccccc2N1CCNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594624192 986681751 /nfs/dbraw/zinc/68/17/51/986681751.db2.gz OHFKNIQVNUBRLT-GFCCVEGCSA-N -1 0 372.400 2.601 20 50 FFGDRM CC[C@H](C(=O)NNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001594737540 987281519 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O=C([O-])Nc1ccccc1CC(=O)NNc1ccc(Br)nc1 ZINC000834274312 606098194 /nfs/dbraw/zinc/09/81/94/606098194.db2.gz KKGIOPBYQNBBLY-UHFFFAOYSA-N -1 0 365.187 2.620 20 50 FFGDRM Cc1ccccc1C(C)(C)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826306054 608574669 /nfs/dbraw/zinc/57/46/69/608574669.db2.gz OTCXWEQCGHEAPJ-UHFFFAOYSA-N -1 0 371.832 2.644 20 50 FFGDRM CC(C)[C@H]1CC[C@H](C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)CC1 ZINC000824342016 608576942 /nfs/dbraw/zinc/57/69/42/608576942.db2.gz IPDGLAXHTGZKPA-XYPYZODXSA-N -1 0 363.853 2.821 20 50 FFGDRM CC[C@@H](CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccccc1 ZINC000825083166 608577055 /nfs/dbraw/zinc/57/70/55/608577055.db2.gz XZTHXKPJEQEWCB-NSHDSACASA-N -1 0 371.832 2.942 20 50 FFGDRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NNC(=O)c1cccc2ccccc21 ZINC001601236004 970960080 /nfs/dbraw/zinc/96/00/80/970960080.db2.gz LCNKJPMYDOYSRB-PKNBQFBNSA-N -1 0 350.330 2.605 20 50 FFGDRM O=C([O-])c1cccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1 ZINC001595241266 949461216 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FFGDRM CC(C)(CO)[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833460235 605745551 /nfs/dbraw/zinc/74/55/51/605745551.db2.gz ZVBIWMSQVAEFNB-QGZVFWFLSA-N -1 0 371.437 2.813 20 50 FFGDRM CC(C)(C)Oc1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)n1 ZINC000833447578 605748040 /nfs/dbraw/zinc/74/80/40/605748040.db2.gz VMDHSEQMKXFKTG-UHFFFAOYSA-N -1 0 358.398 2.783 20 50 FFGDRM O=C([O-])N1CCSC[C@H]1CC(=O)NNc1cccc(C(F)(F)F)c1 ZINC000831414968 605877164 /nfs/dbraw/zinc/87/71/64/605877164.db2.gz UUCUXJSYUQOSPD-LLVKDONJSA-N -1 0 363.361 2.634 20 50 FFGDRM CC1(C)CCC(CC(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)CC1 ZINC000824795891 608574377 /nfs/dbraw/zinc/57/43/77/608574377.db2.gz HVBYZIAIKAYDGE-UHFFFAOYSA-N -1 0 363.853 2.965 20 50 FFGDRM O=C(CCC=Cc1ccccc1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826405512 608574556 /nfs/dbraw/zinc/57/45/56/608574556.db2.gz ITGCTJALVBXPFB-XBXARRHUSA-N -1 0 369.816 2.852 20 50 FFGDRM CC(C)[C@H](C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccccc1 ZINC000824184393 608575495 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CC(C)n1cc(C(=O)NNc2cccc(C(=O)[O-])c2)c(C2CCOCC2)n1 ZINC001592126502 976943776 /nfs/dbraw/zinc/94/37/76/976943776.db2.gz REZMLNRZDIQKOI-UHFFFAOYSA-N -1 0 372.425 2.813 20 50 FFGDRM C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N(C)Cc1ccccc1 ZINC000736225099 978311405 /nfs/dbraw/zinc/31/14/05/978311405.db2.gz WACLUCKMRIWDOI-LBPRGKRZSA-N -1 0 358.350 2.719 20 50 FFGDRM CN(CC(=O)NNc1c(Cl)cc(Br)cc1Cl)C(=O)[O-] ZINC000737392899 978403814 /nfs/dbraw/zinc/40/38/14/978403814.db2.gz DTZULVYJQQOLDF-UHFFFAOYSA-N -1 0 371.018 2.809 20 50 FFGDRM COc1cc(OC)c(NC(=O)NN=Cc2ccc(C(=O)[O-])o2)cc1Cl ZINC000737900619 978455383 /nfs/dbraw/zinc/45/53/83/978455383.db2.gz YVMCGRIGUWNAOS-UHFFFAOYSA-N -1 0 367.745 2.804 20 50 FFGDRM COc1ccc(O[C@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000738043653 978470556 /nfs/dbraw/zinc/47/05/56/978470556.db2.gz DVQOXKIOLLQKMB-SNVBAGLBSA-N -1 0 361.306 2.675 20 50 FFGDRM CSc1nc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c2ccccn21 ZINC000738211175 978500463 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CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCOCC2)C1 ZINC001588739248 961146164 /nfs/dbraw/zinc/14/61/64/961146164.db2.gz IVWYVJLKCMZRDV-AWEZNQCLSA-N -1 0 371.550 2.881 20 50 FFGDRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NNC(=O)c1cc2c(s1)CCCCC2 ZINC001574512889 961816941 /nfs/dbraw/zinc/81/69/41/961816941.db2.gz AYVFWCNRMSRSLK-VQHVLOKHSA-N -1 0 374.418 2.783 20 50 FFGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC001574525035 961876118 /nfs/dbraw/zinc/87/61/18/961876118.db2.gz DBAABYRYAMNJNP-UHFFFAOYSA-N -1 0 350.378 2.851 20 50 FFGDRM O=C(NNc1ccc(Cl)c(Br)c1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574578413 962090203 /nfs/dbraw/zinc/09/02/03/962090203.db2.gz GXYPYZYPKQPUDW-WRXNHJIOSA-N -1 0 362.611 2.592 20 50 FFGDRM Cc1c(Br)cccc1NC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001605067213 972696219 /nfs/dbraw/zinc/69/62/19/972696219.db2.gz PKSRWVUCRWAGEU-UHFFFAOYSA-N -1 0 365.187 2.999 20 50 FFGDRM Cc1cc2ccccc2[nH]c1=NNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001605232702 972986507 /nfs/dbraw/zinc/98/65/07/972986507.db2.gz CXIWPKWHECNQOQ-UHFFFAOYSA-N -1 0 351.362 2.764 20 50 FFGDRM C[C@@H]1CCc2sc(C(=O)NNC(=O)C3(C(=O)[O-])CCCCC3)cc2C1 ZINC001603440691 973226815 /nfs/dbraw/zinc/22/68/15/973226815.db2.gz ZWKTXXXKSGLDHW-LLVKDONJSA-N -1 0 364.467 2.669 20 50 FFGDRM CCCCCCOc1ccc(C(=O)NNC(=O)[C@H](C(=O)[O-])C(C)C)cc1 ZINC001603640772 973985917 /nfs/dbraw/zinc/98/59/17/973985917.db2.gz RDYIOJAZNLADQE-MRXNPFEDSA-N -1 0 364.442 2.764 20 50 FFGDRM CC(C)Oc1c(NC(=O)NNC(=O)CC2CCCC2)cccc1C(=O)[O-] ZINC001591747767 975798846 /nfs/dbraw/zinc/79/88/46/975798846.db2.gz ZGNRCVPVBPSBKG-UHFFFAOYSA-N -1 0 363.414 2.905 20 50 FFGDRM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001591837613 976115320 /nfs/dbraw/zinc/11/53/20/976115320.db2.gz XPQRJYMUOMHXSF-CYBMUJFWSA-N -1 0 369.393 2.516 20 50 FFGDRM C[C@@H](CCC(=O)NNc1ccc(C(=O)[O-])c(F)c1)NC(=O)OC(C)(C)C ZINC001592470723 978224115 /nfs/dbraw/zinc/22/41/15/978224115.db2.gz LCEPKVIDVBBSOB-JTQLQIEISA-N -1 0 369.393 2.660 20 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Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc(OCC(=O)[O-])cc2)c1 ZINC000786056269 978795268 /nfs/dbraw/zinc/79/52/68/978795268.db2.gz OLHGVTDVFXNTNR-LICLKQGHSA-N -1 0 350.374 2.682 20 50 FFGDRM O=C([O-])Cn1cc(C=NNC(=O)c2c[nH]c3ccccc23)c2ccccc21 ZINC000799866708 978841441 /nfs/dbraw/zinc/84/14/41/978841441.db2.gz PXERXPMMVQVPKP-UHFFFAOYSA-N -1 0 360.373 2.971 20 50 FFGDRM Cc1ccc(C(=O)NN=Cc2cn(CC(=O)[O-])c3ccccc23)cc1F ZINC000799886195 978845030 /nfs/dbraw/zinc/84/50/30/978845030.db2.gz WAJBOJJOXWEVLT-UHFFFAOYSA-N -1 0 353.353 2.937 20 50 FFGDRM COc1cc(C(=O)NN=Cc2cccc(C(=O)[O-])c2)ccc1OC(C)C ZINC000814756481 978881620 /nfs/dbraw/zinc/88/16/20/978881620.db2.gz WBNCGVJEPRXNML-UHFFFAOYSA-N -1 0 356.378 2.945 20 50 FFGDRM Cc1ccc(-c2cc(C(=O)NN=C3CC[C@@H](CC(=O)[O-])[C@H]3C)[nH]n2)cc1 ZINC000814805109 978886556 /nfs/dbraw/zinc/88/65/56/978886556.db2.gz RMFHDJRTNJCKLB-OCCSQVGLSA-N -1 0 354.410 2.992 20 50 FFGDRM COc1ccc(NC(=O)NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000814998835 978900440 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FFGDRM CCCCCn1cc(CNC(=O)NNc2cccc(C(=O)[O-])c2)c(C)n1 ZINC001595728216 982358542 /nfs/dbraw/zinc/35/85/42/982358542.db2.gz XQWZTFNNDINMDU-UHFFFAOYSA-N -1 0 359.430 2.906 20 50 FFGDRM CCCSc1nsc(NC(=O)NNc2cccc(C(=O)[O-])c2)n1 ZINC001595987561 983239482 /nfs/dbraw/zinc/23/94/82/983239482.db2.gz KJTUVXNMBVHVKJ-UHFFFAOYSA-N -1 0 353.429 2.887 20 50 FFGDRM CCNC(=O)N(C)NC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001596463341 984180695 /nfs/dbraw/zinc/18/06/95/984180695.db2.gz WCJHRFMPDVCUSG-UHFFFAOYSA-N -1 0 374.850 2.605 20 50 FFGDRM CCOC(=O)C[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)CC(C)C ZINC001596630606 984615319 /nfs/dbraw/zinc/61/53/19/984615319.db2.gz BPHQQIHYHWZUMU-ZDUSSCGKSA-N -1 0 365.430 2.626 20 50 FFGDRM C[C@H](NC(=O)CCC(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001599893036 984719197 /nfs/dbraw/zinc/71/91/97/984719197.db2.gz VZUSSASYGLSCST-LBPRGKRZSA-N -1 0 373.384 2.625 20 50 FFGDRM CCOc1ccc(/C=C(/C#N)C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC001597081974 986629713 /nfs/dbraw/zinc/62/97/13/986629713.db2.gz SVHJPHWKPXNYNF-KAMYIIQDSA-N -1 0 351.362 2.834 20 50 FFGDRM C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N1CCc2ccccc2C1 ZINC001589424664 986695985 /nfs/dbraw/zinc/69/59/85/986695985.db2.gz YZZOWTBIEKURJO-LBPRGKRZSA-N -1 0 373.840 2.928 20 50 FFGDRM CCOc1cccc(CCNC(=O)NNc2ccc(CC(=O)[O-])cc2)c1 ZINC001597153503 986937830 /nfs/dbraw/zinc/93/78/30/986937830.db2.gz KMUIFTCSCYDGKD-UHFFFAOYSA-N -1 0 357.410 2.581 20 50 FFGDRM CC(C)(C)C(=O)Nc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2F)cn1 ZINC001589693839 987769579 /nfs/dbraw/zinc/76/95/79/987769579.db2.gz GNHUBGAEPITETR-UHFFFAOYSA-N -1 0 374.372 2.660 20 50 FFGDRM CC(C)(C)[C@H](Br)C(=O)OCC(=O)Nc1ccccc1C(=O)[O-] ZINC001589699742 987787630 /nfs/dbraw/zinc/78/76/30/987787630.db2.gz QIDRWVPOABFVLW-GFCCVEGCSA-N -1 0 372.215 2.676 20 50 FFGDRM CC(C)[C@H](NC(=O)NNC(=O)C(=O)[O-])c1ccc(C2CCCCC2)cc1 ZINC001591013212 991281551 /nfs/dbraw/zinc/28/15/51/991281551.db2.gz JPVUJXBTRPUKAD-INIZCTEOSA-N -1 0 361.442 2.846 20 50 FFGDRM COc1ccc(OCCCC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001599605918 993884721 /nfs/dbraw/zinc/88/47/21/993884721.db2.gz GIROENYLFVEKOW-UHFFFAOYSA-N -1 0 362.357 2.835 20 50 FFGDRM COc1ccc([C@@H]2C[C@H]2NC(=O)NNc2cccc(C(=O)[O-])c2C)cc1 ZINC001599621299 994086687 /nfs/dbraw/zinc/08/66/87/994086687.db2.gz OYKYAWOZXCQPQV-DOTOQJQBSA-N -1 0 355.394 2.884 20 50 FFGDRM COC(=O)[C@H](C)c1ccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1 ZINC001598691977 995080259 /nfs/dbraw/zinc/08/02/59/995080259.db2.gz MOQMWNLLVXGXNC-GFCCVEGCSA-N -1 0 371.393 2.739 20 50 FFGDRM C[C@H](Oc1ccc(NC(=O)NNc2ccnc(Cl)c2)cc1F)C(=O)[O-] ZINC001593630619 995914125 /nfs/dbraw/zinc/91/41/25/995914125.db2.gz CZHXJZZDLBDAHY-QMMMGPOBSA-N -1 0 368.752 2.875 20 50 FFGDRM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001593635011 995930274 /nfs/dbraw/zinc/93/02/74/995930274.db2.gz JCTKITDOFAXUEO-ZDUSSCGKSA-N -1 0 354.406 2.713 20 50 FFGDRM C[C@H](Sc1ccccc1C(=O)NNC(=O)NC1CCCCC1)C(=O)[O-] ZINC001593672230 996074573 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CC(C)(C)c1ccc(C(=O)NNC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001573462451 958916925 /nfs/dbraw/zinc/91/69/25/958916925.db2.gz AZLONMJBOMETAV-UHFFFAOYSA-N -1 0 369.421 2.827 20 50 FFGDRM Cn1cc(NC(=O)NNc2ncccc2C(=O)[O-])c(C2CCCCC2)n1 ZINC001574457654 961525107 /nfs/dbraw/zinc/52/51/07/961525107.db2.gz GQLMWNIGKXHXEI-UHFFFAOYSA-N -1 0 358.402 2.710 20 50 FFGDRM C[C@]1(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C[C@H]1Br ZINC001357174404 962755664 /nfs/dbraw/zinc/75/56/64/962755664.db2.gz MEPYMVPAJOAEPX-XJKCOSOUSA-N -1 0 367.243 2.554 20 50 FFGDRM O=C([O-])[C@H]1C[C@@H](NC(=O)NNc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC001605815904 972547724 /nfs/dbraw/zinc/54/77/24/972547724.db2.gz XNTRQPIQZHYXKR-LSDHHAIUSA-N -1 0 356.338 2.534 20 50 FFGDRM CCCOc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1OC ZINC001603680380 974073436 /nfs/dbraw/zinc/07/34/36/974073436.db2.gz RGQQXXOUFDLIAV-UHFFFAOYSA-N -1 0 360.370 2.726 20 50 FFGDRM CCc1cccc(C)c1NC(=S)NNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001603975197 974465479 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QDSMQBSCTUCKOG-UHFFFAOYSA-N -1 0 370.317 2.862 20 50 FFGDRM O=C([O-])c1cc(OC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)ccc1[N+](=O)[O-] ZINC000740086798 978666409 /nfs/dbraw/zinc/66/64/09/978666409.db2.gz APYBRCZEMFXCKG-AWEZNQCLSA-N -1 0 363.709 2.856 20 50 FFGDRM O=C([O-])c1ccc(O)c(C=NNC(=O)c2ccccc2Br)c1 ZINC000740155158 978670825 /nfs/dbraw/zinc/67/08/25/978670825.db2.gz NNSNCTFBXZWHNV-UHFFFAOYSA-N -1 0 363.167 2.617 20 50 FFGDRM O=C([O-])c1ccc(CCNC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)cc1 ZINC000776592335 978755097 /nfs/dbraw/zinc/75/50/97/978755097.db2.gz LKIJFJKNWBAJQQ-DXCKQFNASA-N -1 0 366.255 2.997 20 50 FFGDRM CN(C)c1cccc(C(=O)NN=Cc2cn(CC(=O)[O-])c3ccccc23)c1 ZINC000799869200 978842842 /nfs/dbraw/zinc/84/28/42/978842842.db2.gz MCUCPGUPFJJDOZ-UHFFFAOYSA-N -1 0 364.405 2.556 20 50 FFGDRM CC(=NNC(=O)CN1CCCc2ccccc21)c1cc(C(=O)[O-])cs1 ZINC000814728614 978877953 /nfs/dbraw/zinc/87/79/53/978877953.db2.gz DAXMGLHQGIHJRB-UHFFFAOYSA-N -1 0 357.435 2.739 20 50 FFGDRM COc1ccc(NC(=O)NN=Cc2cn(CC(=O)[O-])c3ccccc23)cc1 ZINC000814999070 978900521 /nfs/dbraw/zinc/90/05/21/978900521.db2.gz JSVCSNZVASLJFQ-UHFFFAOYSA-N -1 0 366.377 2.890 20 50 FFGDRM O=C([O-])Cc1ccc(CNC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)cc1 ZINC000864159919 979774902 /nfs/dbraw/zinc/77/49/02/979774902.db2.gz CPZLRUCZBHDCEF-JJRVBVJISA-N -1 0 366.255 2.884 20 50 FFGDRM N#C/C(=C/c1ccc(OCC(=O)[O-])cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000915989285 982670678 /nfs/dbraw/zinc/67/06/78/982670678.db2.gz GQJDJAZQVFZWGZ-AUWJEWJLSA-N -1 0 351.314 2.669 20 50 FFGDRM CCC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)C(=O)[O-] ZINC001595987956 983241453 /nfs/dbraw/zinc/24/14/53/983241453.db2.gz UGLKGGYHFGQGQK-HMBXQEKBSA-N -1 0 373.453 2.560 20 50 FFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C(=O)[O-])c2cccnc2)c1C ZINC001596107691 983432491 /nfs/dbraw/zinc/43/24/91/983432491.db2.gz JEDQYCLQJBSARO-LTXFRBGYSA-N -1 0 366.421 2.759 20 50 FFGDRM CCN(CCNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1cccc(C)c1 ZINC001596334860 983778440 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CCSc1cc(CNC(=O)NNc2cccc(C(=O)[O-])c2F)ccn1 ZINC001597267834 987306075 /nfs/dbraw/zinc/30/60/75/987306075.db2.gz ODSMWWHAJJABSQ-UHFFFAOYSA-N -1 0 364.402 2.857 20 50 FFGDRM CSSCCNC(=O)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001599804401 988230117 /nfs/dbraw/zinc/23/01/17/988230117.db2.gz MTMGJJJWZITKMS-UHFFFAOYSA-N -1 0 370.477 2.665 20 50 FFGDRM CCc1cccc(C)c1NC(=S)NNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001597581384 988388581 /nfs/dbraw/zinc/38/85/81/988388581.db2.gz YKVRAOWEHFUNTC-UONOGXRCSA-N -1 0 363.483 2.766 20 50 FFGDRM CC(C)(C)OC(=O)CCCCCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001589873641 988520731 /nfs/dbraw/zinc/52/07/31/988520731.db2.gz TUJBDEIOQAICJW-UHFFFAOYSA-N -1 0 365.430 2.913 20 50 FFGDRM CCn1c2ccccc2nc1SCC(=O)NN=C1CCC[C@H](C(=O)[O-])C1 ZINC001597864517 989649188 /nfs/dbraw/zinc/64/91/88/989649188.db2.gz FTPAFVVHCCRLOS-LBPRGKRZSA-N -1 0 374.466 2.895 20 50 FFGDRM CCn1c2ccccc2nc1SCC(=O)NNc1ccccc1C(=O)[O-] ZINC001597865204 989654589 /nfs/dbraw/zinc/65/45/89/989654589.db2.gz ORCMBPGROKYAEX-UHFFFAOYSA-N -1 0 370.434 2.990 20 50 FFGDRM CC(C)(NC(=O)Nc1ccccc1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001590855835 990742238 /nfs/dbraw/zinc/74/22/38/990742238.db2.gz MLMKFYNWKACYRM-UHFFFAOYSA-N -1 0 374.372 2.567 20 50 FFGDRM CC(C)=C[C@@H]1[C@H](C(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)C1(C)C ZINC001590914924 990900466 /nfs/dbraw/zinc/90/04/66/990900466.db2.gz MQIBECXXTCDRHY-TZMCWYRMSA-N -1 0 351.472 2.818 20 50 FFGDRM COc1cccc2c1CC[C@H]2NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599690507 991061880 /nfs/dbraw/zinc/06/18/80/991061880.db2.gz IBSNYGDFWJYPQC-MRXNPFEDSA-N -1 0 355.394 2.636 20 50 FFGDRM CN(C)N(C(=O)c1cscc1C(F)F)c1nc(CC(=O)[O-])cs1 ZINC001598256119 991064742 /nfs/dbraw/zinc/06/47/42/991064742.db2.gz DQHUQXWSRDSHMT-UHFFFAOYSA-N -1 0 361.395 2.893 20 50 FFGDRM CN(C)N(C(=O)Cc1cc2ccccc2o1)c1nc(CC(=O)[O-])cs1 ZINC001598257752 991075418 /nfs/dbraw/zinc/07/54/18/991075418.db2.gz RUHPHUUDICCDBX-UHFFFAOYSA-N -1 0 359.407 2.569 20 50 FFGDRM COc1ccccc1OCC(=O)NN=C1CCC[C@H](CCCC(=O)[O-])C1 ZINC001599716497 991464315 /nfs/dbraw/zinc/46/43/15/991464315.db2.gz AWXAGTAUAOYPSB-CQSZACIVSA-N -1 0 362.426 2.991 20 50 FFGDRM COc1nc(C(=O)NNc2cccc(F)c2C(=O)[O-])cc2ccccc21 ZINC001599730499 991702626 /nfs/dbraw/zinc/70/26/26/991702626.db2.gz OXOBDQXSZQJEMH-UHFFFAOYSA-N -1 0 355.325 2.838 20 50 FFGDRM COc1ccc2c(c1)CC[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)C2 ZINC001599627224 994166014 /nfs/dbraw/zinc/16/60/14/994166014.db2.gz DEZVEJCXWKHZFP-OAHLLOKOSA-N -1 0 369.421 2.885 20 50 FFGDRM COc1ccc2c(c1)OC[C@@H]2CC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599632162 994235065 /nfs/dbraw/zinc/23/50/65/994235065.db2.gz GEDQZIROLLNGCF-JTQLQIEISA-N -1 0 360.341 2.542 20 50 FFGDRM COc1ccc2c(ccn2CC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001599634074 994260755 /nfs/dbraw/zinc/26/07/55/994260755.db2.gz SOFXDDWUQQGEAZ-UHFFFAOYSA-N -1 0 357.341 2.631 20 50 FFGDRM COc1cccc(CO[C@@H](C)C(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001599675386 994888373 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O=C([O-])N1CCOC[C@H]1[C@H]1CCCC1=NNC(=O)c1cc2ccccc2o1 ZINC000834044986 605744610 /nfs/dbraw/zinc/74/46/10/605744610.db2.gz KMYPSEMFGSIGIX-ZFWWWQNUSA-N -1 0 371.393 2.698 20 50 FFGDRM O=C([O-])N1CC(CNC(=O)NN(Cc2ccccc2)c2ccccc2)C1 ZINC000834035434 605771157 /nfs/dbraw/zinc/77/11/57/605771157.db2.gz QKGCOHBMLIJIGQ-UHFFFAOYSA-N -1 0 354.410 2.517 20 50 FFGDRM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833441020 605774099 /nfs/dbraw/zinc/77/40/99/605774099.db2.gz PALHQRLLSXTJQW-UONOGXRCSA-N -1 0 363.414 2.521 20 50 FFGDRM O=C([O-])NCCCC(=O)NNC(=S)Nc1ccccc1-c1ccccc1 ZINC000834232617 605795057 /nfs/dbraw/zinc/79/50/57/605795057.db2.gz UYRBNMNUSZYGRM-UHFFFAOYSA-N -1 0 372.450 2.719 20 50 FFGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000834228375 605799586 /nfs/dbraw/zinc/79/95/86/605799586.db2.gz FUWUHIKAMNHJDZ-UHFFFAOYSA-N -1 0 365.393 2.523 20 50 FFGDRM O=C([O-])NCCCC(=O)NN=Cc1cc(Cl)ccc1Br ZINC000834228514 605799667 /nfs/dbraw/zinc/79/96/67/605799667.db2.gz 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CC(=CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccc(F)cc1 ZINC000823942571 608572741 /nfs/dbraw/zinc/57/27/41/608572741.db2.gz GRXVGSHPOLQEAJ-TWGQIWQCSA-N -1 0 373.779 2.601 20 50 FFGDRM CCCc1ccc(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)cc1 ZINC000825348045 608574336 /nfs/dbraw/zinc/57/43/36/608574336.db2.gz BDQFSMXKNCJPBI-UHFFFAOYSA-N -1 0 357.805 2.625 20 50 FFGDRM C[C@@H](CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)CC(C)(C)C ZINC000824385471 608576725 /nfs/dbraw/zinc/57/67/25/608576725.db2.gz UUWWMKBFLIZPCG-VIFPVBQESA-N -1 0 351.842 2.821 20 50 FFGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)CCCC(=O)[O-])c(C)n1C[C@H]1CCCO1 ZINC001600184111 970774397 /nfs/dbraw/zinc/77/43/97/970774397.db2.gz HZYNUKJORIMYKM-UWKDKTGGSA-N -1 0 373.453 2.514 20 50 FFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)CCC=Cc2ccccc2)o1 ZINC000735938596 944717184 /nfs/dbraw/zinc/71/71/84/944717184.db2.gz BSAZTONSXMPMMH-POHAHGRESA-N -1 0 367.413 2.915 20 50 FFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)c2cc3occc3s2)o1 ZINC000735938576 944717756 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FFGDRM CCC(CC)(CNC(=O)NNC(=O)Cc1cccc2ccccc21)C(=O)[O-] ZINC000818626623 955414974 /nfs/dbraw/zinc/41/49/74/955414974.db2.gz DACBBQWULOGNEN-UHFFFAOYSA-N -1 0 371.437 2.604 20 50 FFGDRM Cc1ccc(NC(=O)NNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC000818627830 955417978 /nfs/dbraw/zinc/41/79/78/955417978.db2.gz NTNJOONYFMXCRM-LLVKDONJSA-N -1 0 370.837 2.731 20 50 FFGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2c(F)cc(F)cc2Br)C1 ZINC000846708170 955713161 /nfs/dbraw/zinc/71/31/61/955713161.db2.gz MLWBDKMUBRWAET-NKWVEPMBSA-N -1 0 363.158 2.671 20 50 FFGDRM CC(C)Cn1ncc(NC(=O)NNc2ncccc2C(=O)[O-])c1C(F)F ZINC001603055980 972122995 /nfs/dbraw/zinc/12/29/95/972122995.db2.gz AHNFEKQKJNIIDH-UHFFFAOYSA-N -1 0 368.344 2.719 20 50 FFGDRM O=C([O-])c1cccnc1NNC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC001594688101 956724196 /nfs/dbraw/zinc/72/41/96/956724196.db2.gz FZGVWUXQRJAIBP-UHFFFAOYSA-N -1 0 370.192 2.999 20 50 FFGDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NNc2ncc(Cl)cc2Cl)n1 ZINC001573383106 958674920 /nfs/dbraw/zinc/67/49/20/958674920.db2.gz JYVBQHUTRLQJIA-UHFFFAOYSA-N -1 0 373.200 2.553 20 50 FFGDRM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001588630881 959607211 /nfs/dbraw/zinc/60/72/11/959607211.db2.gz MOJUZQWTKKYXQG-UHFFFAOYSA-N -1 0 374.372 2.660 20 50 FFGDRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)NNc1ccc(F)cc1Cl)O2 ZINC001605769827 972473386 /nfs/dbraw/zinc/47/33/86/972473386.db2.gz SKENDVQPGKDNNX-JRKQCGKRSA-N -1 0 371.796 2.518 20 50 FFGDRM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NNc1ncccc1C(=O)[O-] ZINC001603276909 972499018 /nfs/dbraw/zinc/49/90/18/972499018.db2.gz QVPKMUTVHWYCNX-MRVPVSSYSA-N -1 0 370.192 2.997 20 50 FFGDRM CCCCCCOc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001573842725 961090791 /nfs/dbraw/zinc/09/07/91/961090791.db2.gz FKTSHSJDGGYSFA-JKSUJKDBSA-N -1 0 362.426 2.518 20 50 FFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1C ZINC001573866897 961198854 /nfs/dbraw/zinc/19/88/54/961198854.db2.gz MZZJMTIFZVVHMD-SYNSFETESA-N -1 0 357.454 2.991 20 50 FFGDRM Cc1cccc(NC(=S)NNC(=O)c2coc(/C=C\C(=O)[O-])c2)c1C ZINC001574396977 961213363 /nfs/dbraw/zinc/21/33/63/961213363.db2.gz HDSOCLVRGKWSHS-SREVYHEPSA-N -1 0 359.407 2.626 20 50 FFGDRM COC(=O)c1cccc(NNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1C ZINC001574092728 962352703 /nfs/dbraw/zinc/35/27/03/962352703.db2.gz XTHWMTXTTXZAFR-UHFFFAOYSA-N -1 0 357.366 2.937 20 50 FFGDRM CC(C)c1c(Cl)ncnc1NNC(=O)c1coc(C=CC(=O)[O-])c1 ZINC001588963334 962636839 /nfs/dbraw/zinc/63/68/39/962636839.db2.gz OQJMECBCSCROQG-ARJAWSKDSA-N -1 0 350.762 2.701 20 50 FFGDRM C[C@@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)CC[C@H]1C(=O)[O-] ZINC000785703579 969173707 /nfs/dbraw/zinc/17/37/07/969173707.db2.gz WHODVSVKUWCMGB-IUODEOHRSA-N -1 0 359.875 2.589 20 50 FFGDRM O=C([O-])c1ccccc1C1CCN(S(=O)(=O)CCCCCl)CC1 ZINC000841779467 969224102 /nfs/dbraw/zinc/22/41/02/969224102.db2.gz UNDBALFWNGKNBQ-UHFFFAOYSA-N -1 0 359.875 2.913 20 50 FFGDRM Cc1c(Cl)cccc1NNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001605081750 972719845 /nfs/dbraw/zinc/71/98/45/972719845.db2.gz OYXBCDHMNNZUCS-JKGQDXBKSA-N -1 0 367.833 2.687 20 50 FFGDRM CCOC(=O)c1ccc(NNC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1C ZINC001603814490 974291308 /nfs/dbraw/zinc/29/13/08/974291308.db2.gz JTCXYKCPFJGPBH-FNORWQNLSA-N -1 0 358.350 2.619 20 50 FFGDRM CC(C)c1nccnc1NNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001592039817 976762454 /nfs/dbraw/zinc/76/24/54/976762454.db2.gz OYHFYFNHUWYTAJ-UHFFFAOYSA-N -1 0 351.313 2.725 20 50 FFGDRM CC(C)n1cc(Br)c(C(=O)NNc2ccccc2C(=O)[O-])n1 ZINC001592122867 976938410 /nfs/dbraw/zinc/93/84/10/976938410.db2.gz WBLPARXVZFDXMS-UHFFFAOYSA-N -1 0 367.203 2.682 20 50 FFGDRM CC(=NNC(=O)c1cccc2ncccc21)c1ccc(OCC(=O)[O-])cc1 ZINC000736125232 978304842 /nfs/dbraw/zinc/30/48/42/978304842.db2.gz HDMLPCZXHNYGOV-UHFFFAOYSA-N -1 0 363.373 2.852 20 50 FFGDRM C[C@H](CN(C1CC1)S(=O)(=O)c1ccc(CCCCl)cc1)C(=O)[O-] ZINC000736576505 978343911 /nfs/dbraw/zinc/34/39/11/978343911.db2.gz AEBHACHPEDOVDU-GFCCVEGCSA-N -1 0 359.875 2.732 20 50 FFGDRM CCCCc1ccc(NC(=S)NNC(=O)[C@H](NC(=O)[O-])C(C)C)cc1 ZINC000737004193 978372852 /nfs/dbraw/zinc/37/28/52/978372852.db2.gz OBMNJJWRDQRTAI-CQSZACIVSA-N -1 0 366.487 2.639 20 50 FFGDRM CCc1ccccc1OCC(=O)NN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737275579 978393974 /nfs/dbraw/zinc/39/39/74/978393974.db2.gz YNGKKSXAHNYRJD-QGZVFWFLSA-N -1 0 362.813 2.728 20 50 FFGDRM Cc1cc(C)cc(OCC(=O)NN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738363243 978524579 /nfs/dbraw/zinc/52/45/79/978524579.db2.gz BCCKOCFWRWZKSI-KRWDZBQOSA-N -1 0 362.813 2.782 20 50 FFGDRM Cc1cccc(O[C@H](C)C(=O)NN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC000738733635 978597439 /nfs/dbraw/zinc/59/74/39/978597439.db2.gz AKCPOOGYNHQBCQ-CXAGYDPISA-N -1 0 360.385 2.657 20 50 FFGDRM O=C([O-])c1cc(OC(=O)COc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000739323365 978628419 /nfs/dbraw/zinc/62/84/19/978628419.db2.gz HTOUXRCJERAJAZ-UHFFFAOYSA-N -1 0 351.698 2.931 20 50 FFGDRM O=C([O-])NNC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000740002379 978662223 /nfs/dbraw/zinc/66/22/23/978662223.db2.gz HEHIYTLPUHRPMC-UHFFFAOYSA-N -1 0 361.198 2.951 20 50 FFGDRM O=C([O-])Nc1cccc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)c1 ZINC000740034547 978664087 /nfs/dbraw/zinc/66/40/87/978664087.db2.gz WKIVDNNHBFHDSQ-UHFFFAOYSA-N -1 0 362.773 2.574 20 50 FFGDRM O=C([O-])c1cc(OC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)ccc1[N+](=O)[O-] ZINC000740086808 978666334 /nfs/dbraw/zinc/66/63/34/978666334.db2.gz ATBWKALNUVJITF-HNNXBMFYSA-N -1 0 374.280 2.531 20 50 FFGDRM O=C([O-])c1cc(OC(=O)[C@H](c2ccccc2)n2cccn2)ccc1[N+](=O)[O-] ZINC000740088007 978667354 /nfs/dbraw/zinc/66/73/54/978667354.db2.gz OKFHISWDDGXZOZ-INIZCTEOSA-N -1 0 367.317 2.685 20 50 FFGDRM O=C([O-])c1ccc(CNC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)cc1 ZINC000776589948 978754867 /nfs/dbraw/zinc/75/48/67/978754867.db2.gz XLBZLZRTJWIEAL-DETPVDSQSA-N -1 0 352.228 2.955 20 50 FFGDRM C[C@@H](Oc1ccc(C=NNC(=O)c2ccc3ccccc3n2)cc1)C(=O)[O-] ZINC000794856362 978823239 /nfs/dbraw/zinc/82/32/39/978823239.db2.gz JDHMWRYROYOWHH-CYBMUJFWSA-N -1 0 363.373 2.851 20 50 FFGDRM Cc1ccc(OCC(=O)NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000794869353 978823832 /nfs/dbraw/zinc/82/38/32/978823832.db2.gz XBZXRRUCXLSFQK-HNNXBMFYSA-N -1 0 370.405 2.684 20 50 FFGDRM C[C@H](CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)Oc1cccc(F)c1 ZINC001592676348 979095069 /nfs/dbraw/zinc/09/50/69/979095069.db2.gz PEBOFAXQKADNOK-SNVBAGLBSA-N -1 0 365.336 2.757 20 50 FFGDRM O=C([O-])Cn1cc(C=NNC(=O)Cc2ccc(F)cc2)c2ccccc21 ZINC000864095857 979679307 /nfs/dbraw/zinc/67/93/07/979679307.db2.gz INJAVDMHXLPRBK-UHFFFAOYSA-N -1 0 353.353 2.558 20 50 FFGDRM CCCc1c(C(=O)NNc2ccc([N+](=O)[O-])cc2F)[nH]c(C)c1C(=O)[O-] ZINC001596045854 983337296 /nfs/dbraw/zinc/33/72/96/983337296.db2.gz SNRTWHBYCUIXSO-UHFFFAOYSA-N -1 0 364.333 2.778 20 50 FFGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1C ZINC001596107249 983431759 /nfs/dbraw/zinc/43/17/59/983431759.db2.gz BZIKZWIGMWUISG-ZFEIURMQSA-N -1 0 357.454 2.991 20 50 FFGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C(=O)[O-])c2cccnc2)c1C ZINC001596107690 983432585 /nfs/dbraw/zinc/43/25/85/983432585.db2.gz JEDQYCLQJBSARO-DAIOKFOQSA-N -1 0 366.421 2.759 20 50 FFGDRM CCN(CCNC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1C ZINC001596334626 983777004 /nfs/dbraw/zinc/77/70/04/983777004.db2.gz PJRRJEWYGJROPW-UHFFFAOYSA-N -1 0 374.416 2.985 20 50 FFGDRM C=CCNC(=O)c1ccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001588843645 984353919 /nfs/dbraw/zinc/35/39/19/984353919.db2.gz CSAUPPVPDXXWTK-UHFFFAOYSA-N -1 0 372.356 2.588 20 50 FFGDRM CC(=O)Nc1cc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC001589180972 985557189 /nfs/dbraw/zinc/55/71/89/985557189.db2.gz XDMWZDDTTZEGGJ-UHFFFAOYSA-N -1 0 364.308 2.770 20 50 FFGDRM Cc1[nH]c(C(=O)NNc2ccc(Br)c(F)c2)c(C)c1C(=O)[O-] ZINC001599953039 985641564 /nfs/dbraw/zinc/64/15/64/985641564.db2.gz GFUPYXJVCTVXEX-UHFFFAOYSA-N -1 0 370.178 2.988 20 50 FFGDRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)[C@@H](Br)C(C)(C)C ZINC001596908424 985908687 /nfs/dbraw/zinc/90/86/87/985908687.db2.gz VOJMAYGMBCCSER-VXGBXAGGSA-N -1 0 366.296 2.772 20 50 FFGDRM CCOc1ccc(/C=C(/C#N)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001597081446 986625181 /nfs/dbraw/zinc/62/51/81/986625181.db2.gz KJCINRPSBUKVRV-YOHXQXMCSA-N -1 0 354.406 2.608 20 50 FFGDRM C[C@@H]1Cc2cc(CNC(=O)NNc3ccc(C(=O)[O-])cc3F)ccc2O1 ZINC001594615933 986635187 /nfs/dbraw/zinc/63/51/87/986635187.db2.gz SZTKMEGQKOIOSK-SNVBAGLBSA-N -1 0 359.357 2.674 20 50 FFGDRM CC(C)(C)C(=O)NNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001589693685 987768036 /nfs/dbraw/zinc/76/80/36/987768036.db2.gz WLODFVAKZRRIBZ-UHFFFAOYSA-N -1 0 372.381 2.771 20 50 FFGDRM CSc1ccc(C(=O)NNc2cccc(F)c2C(=O)[O-])cc1[N+](=O)[O-] ZINC001599810147 988320467 /nfs/dbraw/zinc/32/04/67/988320467.db2.gz IALAIYBGVYPGDV-UHFFFAOYSA-N -1 0 365.342 2.911 20 50 FFGDRM CSc1nc(C(=O)NNc2cccc(C(=O)[O-])c2C)c2ccccn21 ZINC001599828294 988631611 /nfs/dbraw/zinc/63/16/11/988631611.db2.gz VUOJYVKETUGMCZ-UHFFFAOYSA-N -1 0 356.407 2.820 20 50 FFGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1[N+](=O)[O-] ZINC001599840245 988814504 /nfs/dbraw/zinc/81/45/04/988814504.db2.gz IETMMJARTIIYTG-SECBINFHSA-N -1 0 362.317 2.819 20 50 FFGDRM CN(C)N(C(=O)c1cccc(Cl)c1F)c1nc(CC(=O)[O-])cs1 ZINC001598257437 991073283 /nfs/dbraw/zinc/07/32/83/991073283.db2.gz LJGGRIPLIWVRGV-UHFFFAOYSA-N -1 0 357.794 2.686 20 50 FFGDRM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC001598498697 992399019 /nfs/dbraw/zinc/39/90/19/992399019.db2.gz ITLCLQIAKBRTRS-XFXZXTDPSA-N -1 0 370.405 2.936 20 50 FFGDRM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NNc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001599604023 993857478 /nfs/dbraw/zinc/85/74/78/993857478.db2.gz QIKJETNRYNBYGZ-WBVHZDCISA-N -1 0 370.405 2.957 20 50 FFGDRM C[C@H](OCc1ccc(F)cc1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001593608465 995795908 /nfs/dbraw/zinc/79/59/08/995795908.db2.gz WMYKXEBSKLCYNW-JTQLQIEISA-N -1 0 350.321 2.711 20 50 FFGDRM COc1cc(F)c(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1OC ZINC001599423655 997636450 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COc1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2C)c(C)c1OC ZINC001599566716 998298597 /nfs/dbraw/zinc/29/85/97/998298597.db2.gz FHHPYWXOUKIDAT-UHFFFAOYSA-N -1 0 373.409 2.845 20 50 FFGDRM COc1ccc(-c2n[nH]cc2C(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001599470235 998437794 /nfs/dbraw/zinc/43/77/94/998437794.db2.gz HRVWMMZENXVGKO-UHFFFAOYSA-N -1 0 370.340 2.680 20 50 FFGDRM COC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC001599170250 998601201 /nfs/dbraw/zinc/60/12/01/998601201.db2.gz UBKBIWVVJVQLLI-CFINBHSISA-N -1 0 373.453 2.733 20 50 FFGDRM C[C@@H]1C[C@H](NC(=O)NNc2cc(C(=O)[O-])ccc2Br)CS1 ZINC001594255858 998985779 /nfs/dbraw/zinc/98/57/79/998985779.db2.gz RTCQYPAEYZEFJC-APPZFPTMSA-N -1 0 374.260 2.667 20 50 FFGDRM C[C@@H]1CCc2sc(C(=O)NNC(=O)Cc3ccc(C(=O)[O-])cc3)cc2C1 ZINC001594450642 999647860 /nfs/dbraw/zinc/64/78/60/999647860.db2.gz IDRSQZPGILEWNE-LLVKDONJSA-N -1 0 372.446 2.575 20 50 FFGDRM N#Cc1ccc(C(=O)NN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000833072684 600745990 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2.759 20 50 FFGDRM O=C([O-])Nc1ccc(C=NNC(=O)c2cc(-c3ccccc3)on2)cn1 ZINC000832839988 603487960 /nfs/dbraw/zinc/48/79/60/603487960.db2.gz BHQLJEOHWWNUNP-UHFFFAOYSA-N -1 0 351.322 2.590 20 50 FFGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)NC(=O)[O-])c1C ZINC000826852838 603648680 /nfs/dbraw/zinc/64/86/80/603648680.db2.gz FELDLUUEWGCADN-YBEGLDIGSA-N -1 0 360.458 2.974 20 50 FFGDRM Cc1cccc(OCC(=O)NN=Cc2cccc3c2N(C(=O)[O-])CC3)c1 ZINC000830527627 603818871 /nfs/dbraw/zinc/81/88/71/603818871.db2.gz MSKYROIBSJTJSJ-UHFFFAOYSA-N -1 0 353.378 2.565 20 50 FFGDRM Cc1ccc(NC(=O)NNC(=O)CCC(C)(C)NC(=O)[O-])c(Cl)c1 ZINC000830390165 604033322 /nfs/dbraw/zinc/03/33/22/604033322.db2.gz JAXHSFAHXMVYTQ-UHFFFAOYSA-N -1 0 356.810 2.628 20 50 FFGDRM CCCc1c(C(=O)NN=c2nc[nH]c3ccsc32)[nH]c(C)c1C(=O)[O-] ZINC000829562668 604424764 /nfs/dbraw/zinc/42/47/64/604424764.db2.gz PLHBORCFNBHMLN-UHFFFAOYSA-N -1 0 359.411 2.735 20 50 FFGDRM C[C@@H](CC(=O)NNc1cc(F)c(F)cc1F)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824679604 604580622 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2.925 20 50 FFGDRM C[C@@H](Sc1ccccc1C(=O)NNc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833545150 604935480 /nfs/dbraw/zinc/93/54/80/604935480.db2.gz DZKUCSFSKOTWHH-SNVBAGLBSA-N -1 0 361.379 2.917 20 50 FFGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)CCSc1ccc(F)cc1 ZINC000833406482 605038990 /nfs/dbraw/zinc/03/89/90/605038990.db2.gz HAWJLTLLYOTISG-GFCCVEGCSA-N -1 0 363.414 2.905 20 50 FFGDRM COc1ccc(NNC(=O)c2cccc(OCC(=O)[O-])c2)cc1Cl ZINC000833733291 605244540 /nfs/dbraw/zinc/24/45/40/605244540.db2.gz MGTMDXAFDJIIEQ-UHFFFAOYSA-N -1 0 350.758 2.569 20 50 FFGDRM COc1cc(F)cc(NNC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)c1 ZINC000829142354 605399803 /nfs/dbraw/zinc/39/98/03/605399803.db2.gz QOLGCJMAUOBMPV-LLVKDONJSA-N -1 0 353.394 2.694 20 50 FFGDRM COc1ccc(/C=C(/C#N)C(=O)O[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000833732302 605493010 /nfs/dbraw/zinc/49/30/10/605493010.db2.gz KCFZAKTWFCCPIP-QWSHFYNQSA-N -1 0 369.348 2.980 20 50 FFGDRM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)Cc1nc(-c2ccccc2)cs1 ZINC000833802779 605624906 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O=C([O-])N[C@H]1CCCC1=NNC(=O)Cc1nc(-c2ccccc2)cs1 ZINC000834168294 605858494 /nfs/dbraw/zinc/85/84/94/605858494.db2.gz HCRFXGBZMWMFRG-LBPRGKRZSA-N -1 0 358.423 2.645 20 50 FFGDRM Cc1ccc(NCC(=O)NNC(=O)c2ccc(NC(=O)[O-])c(C)c2)c(C)c1 ZINC000830395867 605877520 /nfs/dbraw/zinc/87/75/20/605877520.db2.gz MHHNYINIKVMZOZ-UHFFFAOYSA-N -1 0 370.409 2.575 20 50 FFGDRM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNc1ncccc1Cl ZINC000834252024 605930060 /nfs/dbraw/zinc/93/00/60/605930060.db2.gz WDDDHPQLMVDNHT-AWEZNQCLSA-N -1 0 373.800 2.538 20 50 FFGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@H]2CC[C@H](C(C)C)CC2)o1 ZINC000824358293 607806184 /nfs/dbraw/zinc/80/61/84/607806184.db2.gz GERIEEZODGAGMI-HAQNSBGRSA-N -1 0 361.450 2.884 20 50 FFGDRM CC[C@@H](Cc1ccccc1)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825127863 608574081 /nfs/dbraw/zinc/57/40/81/608574081.db2.gz PAXGSGCDWDKTQK-LBPRGKRZSA-N -1 0 371.832 2.627 20 50 FFGDRM Cc1ccc(/C=C\CC(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)cc1 ZINC000826285470 608627743 /nfs/dbraw/zinc/62/77/43/608627743.db2.gz APEPBFVVVQPBKL-IHWYPQMZSA-N -1 0 369.816 2.770 20 50 FFGDRM