smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(/C=C(\C#N)C(=O)N2CCC(C(=O)[O-])CC2)c(C)n1C1CCCCC1 ZINC000740078754 955257235 /nfs/dbraw/zinc/25/72/35/955257235.db2.gz GJMRFIAOZNVFMZ-CPNJWEJPSA-N -1 0 383.492 3.840 20 50 GHGDRM CC(C)C[C@H](CNC(=O)NNc1cc(C(F)(F)F)ccc1F)CC(=O)[O-] ZINC001573536957 959177864 /nfs/dbraw/zinc/17/78/64/959177864.db2.gz ZOKJIVPMMQXNNT-JTQLQIEISA-N -1 0 379.354 3.608 20 50 GHGDRM C[C@H](NC(=O)NNc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848594908 969268308 /nfs/dbraw/zinc/26/83/08/969268308.db2.gz BQIIHWCXWAXBBB-INTQDDNPSA-N -1 0 391.365 3.606 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)n1-c1ccccc1C ZINC001605351330 973257009 /nfs/dbraw/zinc/25/70/09/973257009.db2.gz JFGGQBFHLDQPAA-BUDOKORBSA-N -1 0 379.460 3.535 20 50 GHGDRM CC(C)c1noc2nc(C3CC3)cc(C(=O)NNc3cccc(C(=O)[O-])c3F)c21 ZINC001592101753 976863264 /nfs/dbraw/zinc/86/32/64/976863264.db2.gz CMANNESCJSEDGI-UHFFFAOYSA-N -1 0 398.394 3.818 20 50 GHGDRM N#C/C(=C\c1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C(=O)c1cccc(Cl)c1 ZINC000731562396 978298596 /nfs/dbraw/zinc/29/85/96/978298596.db2.gz BEACFABHSSEINA-AWNIVKPZSA-N -1 0 386.747 3.501 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)c1C ZINC000737051229 978377383 /nfs/dbraw/zinc/37/73/83/978377383.db2.gz RUZIEXFOZSGGEH-GUBQRQEFSA-N -1 0 393.487 3.715 20 50 GHGDRM Cc1ccc(Cl)c(O[C@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738602228 978570407 /nfs/dbraw/zinc/57/04/07/978570407.db2.gz KSDKYAXFSRFYKF-SNVBAGLBSA-N -1 0 379.752 3.628 20 50 GHGDRM O=C([O-])c1ccc(-c2ccc(C=NNC(=O)Cn3ccc4ccccc43)o2)cc1 ZINC000739356840 978632398 /nfs/dbraw/zinc/63/23/98/978632398.db2.gz OSPUPDLHLXEXIJ-UHFFFAOYSA-N -1 0 387.395 3.750 20 50 GHGDRM O=C([O-])c1ccccc1-c1ccc(C=NNC(=O)c2cccc3ncccc32)o1 ZINC000740243539 978673109 /nfs/dbraw/zinc/67/31/09/978673109.db2.gz YQWFIMAQCNZRBD-UHFFFAOYSA-N -1 0 385.379 3.957 20 50 GHGDRM C[C@H](Cc1ccc(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)cc1)C(=O)[O-] ZINC000762185583 978718020 /nfs/dbraw/zinc/71/80/20/978718020.db2.gz UHOCCVGYMXXBIJ-MTKHPJAWSA-N -1 0 380.282 3.842 20 50 GHGDRM C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC000794687726 978815560 /nfs/dbraw/zinc/81/55/60/978815560.db2.gz UQZDSEVBHFCGAL-UWCCDQBKSA-N -1 0 378.428 3.933 20 50 GHGDRM CC(=NNC(=O)c1cc(F)ccc1Br)[C@H](C)CCCCC(=O)[O-] ZINC000814836442 978890619 /nfs/dbraw/zinc/89/06/19/978890619.db2.gz NTZPQUHVTOCAJP-SNVBAGLBSA-N -1 0 387.249 3.975 20 50 GHGDRM C[C@@H](Cc1ccccc1)n1cccc1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001592891411 979782359 /nfs/dbraw/zinc/78/23/59/979782359.db2.gz LRGHAPLAHJDYSM-AWEZNQCLSA-N -1 0 381.407 3.886 20 50 GHGDRM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592892158 979789740 /nfs/dbraw/zinc/78/97/40/979789740.db2.gz WMZLBWYOSURENA-LBPRGKRZSA-N -1 0 395.381 3.590 20 50 GHGDRM CC[C@@H]1CCC[C@H]1CNC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595455593 981123574 /nfs/dbraw/zinc/12/35/74/981123574.db2.gz MQTRYAXCHJTDEN-PWSUYJOCSA-N -1 0 384.274 3.600 20 50 GHGDRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001594996397 982900879 /nfs/dbraw/zinc/90/08/79/982900879.db2.gz KKFDGKBVFJIBDT-ZDUSSCGKSA-N -1 0 389.427 3.836 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC2(CC(=O)[O-])CCCCC2)c1C ZINC001596108644 983434857 /nfs/dbraw/zinc/43/48/57/983434857.db2.gz INVDHKJWBRZYHR-XDHOZWIPSA-N -1 0 385.508 3.963 20 50 GHGDRM C/C(=C/C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1C(F)(F)F ZINC001588942634 984637358 /nfs/dbraw/zinc/63/73/58/984637358.db2.gz OMTKXCYTZJMEAB-BENRWUELSA-N -1 0 378.350 3.879 20 50 GHGDRM CC(=NNC(=O)COc1cc(C)ccc1C(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC001589010576 984980757 /nfs/dbraw/zinc/98/07/57/984980757.db2.gz CKHUWTBBOFDFNC-UHFFFAOYSA-N -1 0 398.459 3.501 20 50 GHGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNc1ccc(OCc2ccccc2)cc1 ZINC001599957166 985708090 /nfs/dbraw/zinc/70/80/90/985708090.db2.gz HRQHIFNADIXEOG-UHFFFAOYSA-N -1 0 379.416 3.666 20 50 GHGDRM CCOc1cccc2cc([C@@H](C)NC(=O)NNc3ccc(CC(=O)[O-])cc3)oc21 ZINC001597165422 986984513 /nfs/dbraw/zinc/98/45/13/986984513.db2.gz UFWSBYZAVFDMMV-CYBMUJFWSA-N -1 0 397.431 3.846 20 50 GHGDRM CC[C@H](C(=O)NNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)c1ccccc1 ZINC001594736902 987278729 /nfs/dbraw/zinc/27/87/29/987278729.db2.gz PKJKEJFIQSVTTF-LBPRGKRZSA-N -1 0 393.802 3.524 20 50 GHGDRM CC(C)(C)c1ccc(NNC(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)cc1 ZINC001590493529 990096759 /nfs/dbraw/zinc/09/67/59/990096759.db2.gz MXYIDXGHMGSPLX-UHFFFAOYSA-N -1 0 381.436 3.567 20 50 GHGDRM CC(C)(C)c1noc(-c2ccccc2C(=O)NNc2cccc(C(=O)[O-])c2F)n1 ZINC001590580467 990223284 /nfs/dbraw/zinc/22/32/84/990223284.db2.gz JTCWTHJFEDCJTD-UHFFFAOYSA-N -1 0 398.394 3.628 20 50 GHGDRM CC(C)(CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1cccc(Cl)c1F ZINC001590726261 990515894 /nfs/dbraw/zinc/51/58/94/990515894.db2.gz DQUXHBIQXRLLMG-UHFFFAOYSA-N -1 0 397.809 3.920 20 50 GHGDRM CN(C)c1cc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc(C(F)(F)F)c1 ZINC001598307443 991273003 /nfs/dbraw/zinc/27/30/03/991273003.db2.gz UJBNFNYDQNTAMY-UHFFFAOYSA-N -1 0 382.342 3.618 20 50 GHGDRM COc1ccccc1NNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001599716108 991458248 /nfs/dbraw/zinc/45/82/48/991458248.db2.gz VYKKIQRQXBWFOL-UHFFFAOYSA-N -1 0 375.450 3.552 20 50 GHGDRM COc1ccc2cc(C(=O)NNc3ccc(C(=O)[O-])c(Cl)c3)c(C)nc2c1 ZINC001599636001 994288762 /nfs/dbraw/zinc/28/87/62/994288762.db2.gz GQEGDXYIQCAGQT-UHFFFAOYSA-N -1 0 385.807 3.660 20 50 GHGDRM COc1cccc(C(=O)/C(C#N)=C/c2ccc(C(=O)[O-])cc2Br)c1 ZINC001599641108 994359766 /nfs/dbraw/zinc/35/97/66/994359766.db2.gz RKKYBFUYZYRICI-VGOFMYFVSA-N -1 0 386.201 3.946 20 50 GHGDRM CC1(C)C[C@@H](NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c2ccc(F)cc2O1 ZINC001593859182 996648619 /nfs/dbraw/zinc/64/86/19/996648619.db2.gz ONNIKEKPMDEWST-OAHLLOKOSA-N -1 0 391.374 3.592 20 50 GHGDRM COc1cc([C@H](C)NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc2ccccc21 ZINC001599387801 996976357 /nfs/dbraw/zinc/97/63/57/996976357.db2.gz GYZUTLWABDJQKS-AWEZNQCLSA-N -1 0 393.443 3.863 20 50 GHGDRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)NNc1c(C)cccc1Cl ZINC001599256486 998313815 /nfs/dbraw/zinc/31/38/15/998313815.db2.gz SUHMGUABKZNKPJ-UHFFFAOYSA-N -1 0 393.827 3.520 20 50 GHGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1C ZINC001599158389 998413242 /nfs/dbraw/zinc/41/32/42/998413242.db2.gz AZBFCGAXUFRPAV-MJOIQJIUSA-N -1 0 399.422 3.695 20 50 GHGDRM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594441815 999627902 /nfs/dbraw/zinc/62/79/02/999627902.db2.gz JPEPVPBILIHWAN-QGHHPUGFSA-N -1 0 375.375 3.613 20 50 GHGDRM Cc1c(Br)cccc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000832849929 600974078 /nfs/dbraw/zinc/97/40/78/600974078.db2.gz SMYQQDBQOVPONW-UHFFFAOYSA-N -1 0 380.150 3.583 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000832881911 602010028 /nfs/dbraw/zinc/01/00/28/602010028.db2.gz WKTPRIQRMISLHJ-JMOSNPTESA-N -1 0 383.492 3.840 20 50 GHGDRM Cc1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1NC(=O)[O-] ZINC000830225061 604226627 /nfs/dbraw/zinc/22/66/27/604226627.db2.gz DTMXFBWXEOTDBI-UHFFFAOYSA-N -1 0 378.310 3.732 20 50 GHGDRM CCCc1c(C(=O)NNc2ccc(Br)cc2F)[nH]c(C)c1C(=O)[O-] ZINC000833653596 604935626 /nfs/dbraw/zinc/93/56/26/604935626.db2.gz ZELIJOVCIOCUDD-UHFFFAOYSA-N -1 0 398.232 3.632 20 50 GHGDRM CCCOc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1OCC ZINC000833652715 605249426 /nfs/dbraw/zinc/24/94/26/605249426.db2.gz YCXNTBJBMPVIIO-UHFFFAOYSA-N -1 0 392.839 3.983 20 50 GHGDRM CCOc1ccc([C@@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2)cc1OCC ZINC000833664602 605739697 /nfs/dbraw/zinc/73/96/97/605739697.db2.gz ZAIDPRVRTPWHQU-CYBMUJFWSA-N -1 0 387.436 3.570 20 50 GHGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(OCC2CC2)c(F)c1 ZINC000833522162 605746208 /nfs/dbraw/zinc/74/62/08/605746208.db2.gz XIFDTSWKOMYYHH-GFCCVEGCSA-N -1 0 387.411 3.700 20 50 GHGDRM Cc1ccc(NC(=O)NNC(=O)c2ccc(NC(=O)[O-])c(C)c2)c(Cl)c1 ZINC000830390349 605812065 /nfs/dbraw/zinc/81/20/65/605812065.db2.gz MVVDVDVNHIMCMD-UHFFFAOYSA-N -1 0 376.800 3.513 20 50 GHGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@@H](CC2CCCCC2)C(C)C)o1 ZINC000735939444 944722732 /nfs/dbraw/zinc/72/27/32/944722732.db2.gz PYEHYAGYUZKCNJ-AWEZNQCLSA-N -1 0 389.504 3.664 20 50 GHGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC001594781383 953631788 /nfs/dbraw/zinc/63/17/88/953631788.db2.gz LXBIZMXFISSAJE-UHFFFAOYSA-N -1 0 375.812 3.512 20 50 GHGDRM O=C([O-])C1CCC(=NNC(=O)c2ccccc2OCc2ccc(F)cc2)CC1 ZINC000814718553 955358767 /nfs/dbraw/zinc/35/87/67/955358767.db2.gz BIZVEQGGKQPARY-UHFFFAOYSA-N -1 0 384.407 3.765 20 50 GHGDRM Cc1cc(Br)ccc1NNC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001594273429 957688863 /nfs/dbraw/zinc/68/88/63/957688863.db2.gz JZFNLPONMKAMNZ-LBPRGKRZSA-N -1 0 386.290 3.521 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)NCCCCC(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC001574326455 960859987 /nfs/dbraw/zinc/85/99/87/960859987.db2.gz RDLYDKYNXRERDV-SFQUDFHCSA-N -1 0 383.423 3.511 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC001574326803 960864238 /nfs/dbraw/zinc/86/42/38/960864238.db2.gz XLVXJMZVCIQYNI-GDNBJRDFSA-N -1 0 385.851 3.634 20 50 GHGDRM O=C([O-])c1cc(NC(=O)NNc2ccc(OCc3ccccc3)cc2)ccn1 ZINC001574578300 962088125 /nfs/dbraw/zinc/08/81/25/962088125.db2.gz DNGNQYFHKPZANN-UHFFFAOYSA-N -1 0 378.388 3.507 20 50 GHGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001605821013 972552238 /nfs/dbraw/zinc/55/22/38/972552238.db2.gz RBNZEKROKGZFCE-UHFFFAOYSA-N -1 0 395.444 3.616 20 50 GHGDRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736764075 978354640 /nfs/dbraw/zinc/35/46/40/978354640.db2.gz QBDATWHPLJSHQU-HACGYAERSA-N -1 0 379.409 3.676 20 50 GHGDRM O=C([O-])Nc1cccc(C(=O)NNc2ccc(Br)cc2Cl)c1 ZINC000740034145 978664156 /nfs/dbraw/zinc/66/41/56/978664156.db2.gz RZKOQPWSPVKPIM-UHFFFAOYSA-N -1 0 384.617 3.949 20 50 GHGDRM O=C([O-])c1cc(OC(=O)c2cc(-c3ccccc3Cl)on2)ccc1[N+](=O)[O-] ZINC000740307629 978674922 /nfs/dbraw/zinc/67/49/22/978674922.db2.gz NYXNYJFVKIKRAX-UHFFFAOYSA-N -1 0 388.719 3.821 20 50 GHGDRM C[C@H](Oc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000794692198 978817054 /nfs/dbraw/zinc/81/70/54/978817054.db2.gz UHXXUDYEIAQZEC-GVIGZQTCSA-N -1 0 387.338 3.930 20 50 GHGDRM CCC(CC)(COCc1ccccc1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001595093648 979392584 /nfs/dbraw/zinc/39/25/84/979392584.db2.gz UVNRQNRKWPTKCC-UHFFFAOYSA-N -1 0 388.439 3.990 20 50 GHGDRM CC[C@H](NC(=O)NNc1cc(C(=O)[O-])ccc1Br)C1CCCC1 ZINC001595253712 980234303 /nfs/dbraw/zinc/23/43/03/980234303.db2.gz YJZFLXRQBOOGAR-ZDUSSCGKSA-N -1 0 384.274 3.742 20 50 GHGDRM CC[C@@H](Oc1ccccc1Cl)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595357489 980722702 /nfs/dbraw/zinc/72/27/02/980722702.db2.gz ASSPEBLTQRRVFF-CQSZACIVSA-N -1 0 383.231 3.992 20 50 GHGDRM CC(=O)N(c1nc(/C=C(\C#N)C(=O)[O-])cs1)c1ccc(C(F)(F)F)cc1 ZINC000920397360 982692783 /nfs/dbraw/zinc/69/27/83/982692783.db2.gz LSFMDVXAECNSNI-UXBLZVDNSA-N -1 0 381.335 3.838 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1C ZINC001596107305 983431681 /nfs/dbraw/zinc/43/16/81/983431681.db2.gz FAWCKDCMNZHRSK-UNOMPAQXSA-N -1 0 391.471 3.705 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC001596108770 983435780 /nfs/dbraw/zinc/43/57/80/983435780.db2.gz OPQUNWIVMLTSHU-OBXYEHHASA-N -1 0 397.450 3.546 20 50 GHGDRM CCN(CCC(=O)[O-])C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C ZINC001596303390 983730268 /nfs/dbraw/zinc/73/02/68/983730268.db2.gz AZZPWKBKDPKAKW-CPNJWEJPSA-N -1 0 379.460 3.633 20 50 GHGDRM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599906232 984926351 /nfs/dbraw/zinc/92/63/51/984926351.db2.gz XDXGVIAZVWUPEJ-JTQLQIEISA-N -1 0 383.231 3.531 20 50 GHGDRM CCOCCOc1ccc(Cl)cc1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001596939487 986070326 /nfs/dbraw/zinc/07/03/26/986070326.db2.gz KLHNUNDSXQKFRL-UHFFFAOYSA-N -1 0 393.827 3.602 20 50 GHGDRM CC[C@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(Br)cc1 ZINC001594737350 987280537 /nfs/dbraw/zinc/28/05/37/987280537.db2.gz UBUUEJVIAVYOMB-INIZCTEOSA-N -1 0 391.265 3.713 20 50 GHGDRM CCc1sc(C(=O)NNc2cccc(C(=O)[O-])c2F)cc1Br ZINC001597817902 989449744 /nfs/dbraw/zinc/44/97/44/989449744.db2.gz DIEGVYHRSLTMQS-UHFFFAOYSA-N -1 0 387.230 3.667 20 50 GHGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001590451913 990016367 /nfs/dbraw/zinc/01/63/67/990016367.db2.gz WGTSLMXIKBGYGQ-CQSZACIVSA-N -1 0 380.517 3.822 20 50 GHGDRM CC(C)CCC[C@@H](C)NC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001591229150 992109172 /nfs/dbraw/zinc/10/91/72/992109172.db2.gz MYFVYBWLICHCBS-LLVKDONJSA-N -1 0 386.290 3.988 20 50 GHGDRM COc1ccc(NNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(Br)c1 ZINC001599597860 993772315 /nfs/dbraw/zinc/77/23/15/993772315.db2.gz FCRHNEGNGDIIHC-UHFFFAOYSA-N -1 0 394.225 3.613 20 50 GHGDRM COc1ccc2cc([C@H](C)C(=O)NNc3ccc(C(=O)[O-])cc3OC)ccc2c1 ZINC001599634285 994264277 /nfs/dbraw/zinc/26/42/77/994264277.db2.gz GYGURURBTDKGLK-ZDUSSCGKSA-N -1 0 394.427 3.802 20 50 GHGDRM COc1ccc(C(=O)NNc2cccc(F)c2C(=O)[O-])c(OCCC(C)C)c1 ZINC001599484346 996820988 /nfs/dbraw/zinc/82/09/88/996820988.db2.gz WBOHGXBMTKNBGX-UHFFFAOYSA-N -1 0 390.411 3.714 20 50 GHGDRM C[C@@H]1[C@H](C(=O)NNc2cc(C(=O)[O-])ccc2Br)[C@H]1c1ccccc1 ZINC001594135051 998367242 /nfs/dbraw/zinc/36/72/42/998367242.db2.gz DLHJOSNNEQYURZ-JQAFLVLXSA-N -1 0 389.249 3.640 20 50 GHGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2sccc2C(=O)[O-])c1C ZINC001599162004 998474857 /nfs/dbraw/zinc/47/48/57/998474857.db2.gz UYBSWMSPAAPLKV-PWDRSIHYSA-N -1 0 387.461 3.618 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001599375698 998481033 /nfs/dbraw/zinc/48/10/33/998481033.db2.gz AZMGHGNFZHGRTC-SECBINFHSA-N -1 0 399.230 3.611 20 50 GHGDRM COc1ccc(Br)c(NNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001599476035 998532732 /nfs/dbraw/zinc/53/27/32/998532732.db2.gz VRHUPHBXHBQJCH-UHFFFAOYSA-N -1 0 394.225 3.613 20 50 GHGDRM C[C@H]1C[C@H](CNC(=O)NNc2cc(C(=O)[O-])ccc2Br)C[C@@H](C)C1 ZINC001594223561 998862252 /nfs/dbraw/zinc/86/22/52/998862252.db2.gz XQSVIVGZGBTPRP-GDNZZTSVSA-N -1 0 398.301 3.846 20 50 GHGDRM O=C([O-])[C@@H](NNC(=O)c1ccc2ccccc2n1)c1ccc(Cl)cc1Cl ZINC000833149005 600733672 /nfs/dbraw/zinc/73/36/72/600733672.db2.gz CLSATHBJYRONKB-INIZCTEOSA-N -1 0 390.226 3.602 20 50 GHGDRM N#Cc1cc(NC(=O)NNC(=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000833069679 601101082 /nfs/dbraw/zinc/10/10/82/601101082.db2.gz LCUPMIJBYIMFFZ-UHFFFAOYSA-N -1 0 380.282 3.673 20 50 GHGDRM O=C([O-])[C@@H](NNC(=O)c1ccc2ccccc2n1)c1cc(Cl)cc(Cl)c1 ZINC000833149260 601971962 /nfs/dbraw/zinc/97/19/62/601971962.db2.gz KVAUHKHHGUCFEV-INIZCTEOSA-N -1 0 390.226 3.602 20 50 GHGDRM CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000827428802 604446940 /nfs/dbraw/zinc/44/69/40/604446940.db2.gz XXJNXLGDEKQXQE-UZUMKDMXSA-N -1 0 393.443 3.637 20 50 GHGDRM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833546934 604805318 /nfs/dbraw/zinc/80/53/18/604805318.db2.gz YZNKTOTVXSLISV-QMMMGPOBSA-N -1 0 386.260 3.711 20 50 GHGDRM CCOc1cc(C(=O)NNc2ccc(Cl)cc2Cl)ccc1OCC(=O)[O-] ZINC000833662676 604935389 /nfs/dbraw/zinc/93/53/89/604935389.db2.gz FNZBNIFUFGUOAQ-UHFFFAOYSA-N -1 0 399.230 3.612 20 50 GHGDRM CC(C)(C(=O)NN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl)c1ccccc1 ZINC000833412087 605063987 /nfs/dbraw/zinc/06/39/87/605063987.db2.gz VFMSYRIIMVSHLD-HNNXBMFYSA-N -1 0 381.259 3.718 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc(CC(=O)[O-])cc2F)c1C ZINC000833652219 605801762 /nfs/dbraw/zinc/80/17/62/605801762.db2.gz FUYFQEIHUUNTGA-BOPFTXTBSA-N -1 0 384.407 3.794 20 50 GHGDRM O=C([O-])C1(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CCCCC1 ZINC001594779306 953614877 /nfs/dbraw/zinc/61/48/77/953614877.db2.gz PVDLTKYAWPXYGG-UHFFFAOYSA-N -1 0 381.432 3.541 20 50 GHGDRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C ZINC001589430710 954647832 /nfs/dbraw/zinc/64/78/32/954647832.db2.gz QXNASKUPBLIMRV-YWFITGJYSA-N -1 0 379.460 3.631 20 50 GHGDRM CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)[O-] ZINC000007155508 956879937 /nfs/dbraw/zinc/87/99/37/956879937.db2.gz SAEBOGANEYKUQN-FPYGCLRLSA-N -1 0 375.016 3.602 20 50 GHGDRM Cc1cc(C(=O)NNc2ncccc2C(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC001594281192 957745313 /nfs/dbraw/zinc/74/53/13/957745313.db2.gz YAAFIIZPAMRRFA-CQSZACIVSA-N -1 0 378.432 3.564 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)NCCCCC(=O)[O-])c(C)n1-c1ccccc1C ZINC001594414132 958985564 /nfs/dbraw/zinc/98/55/64/958985564.db2.gz YLRXHJDXBPRRFL-CPNJWEJPSA-N -1 0 379.460 3.681 20 50 GHGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC001574578447 962090004 /nfs/dbraw/zinc/09/00/04/962090004.db2.gz HPBNQDBLTDMYQM-UHFFFAOYSA-N -1 0 396.378 3.647 20 50 GHGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1 ZINC001605140688 972813178 /nfs/dbraw/zinc/81/31/78/972813178.db2.gz HXZVNMKPZIZLFV-UHFFFAOYSA-N -1 0 398.415 3.636 20 50 GHGDRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001591795755 976001400 /nfs/dbraw/zinc/00/14/00/976001400.db2.gz IUJOISYWIMVVGU-GFCCVEGCSA-N -1 0 375.400 3.698 20 50 GHGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000737003701 978372171 /nfs/dbraw/zinc/37/21/71/978372171.db2.gz IOYAAVLQOPMIFK-DMMSUNFISA-N -1 0 393.487 3.797 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(OC)ccc2C(=O)[O-])c1C ZINC000737051249 978377030 /nfs/dbraw/zinc/37/70/30/978377030.db2.gz SKUVJFKDDVVPFM-YBEGLDIGSA-N -1 0 381.432 3.767 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(CNC(=O)[O-])cc2)c1C ZINC000737051259 978377367 /nfs/dbraw/zinc/37/73/67/978377367.db2.gz SMDNJYWHNVAQFT-WQRHYEAKSA-N -1 0 380.448 3.828 20 50 GHGDRM COc1cc(C=NNC(=O)CC(C)(C)C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000737879854 978453166 /nfs/dbraw/zinc/45/31/66/978453166.db2.gz VTIDVLAHMIVSSM-UHFFFAOYSA-N -1 0 398.459 3.859 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N(CC(=O)[O-])c2ccccc2)c(C)n1CC(C)C ZINC000738378229 978528322 /nfs/dbraw/zinc/52/83/22/978528322.db2.gz CKNMSAZKHFDLAM-YBFXNURJSA-N -1 0 379.460 3.786 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@](C)(C(=O)[O-])C2CC2)c(C)n1-c1ccccc1F ZINC000738379516 978530558 /nfs/dbraw/zinc/53/05/58/978530558.db2.gz RLQLYUUKCCBVAM-KLZTUXMASA-N -1 0 395.434 3.510 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000738498002 978547506 /nfs/dbraw/zinc/54/75/06/978547506.db2.gz JMHQNGDTVUJWJX-PDGQHHTCSA-N -1 0 379.460 3.631 20 50 GHGDRM O=C([O-])c1cc(OC(=O)[C@H](OC2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000740087307 978666787 /nfs/dbraw/zinc/66/67/87/978666787.db2.gz JCGYQVDJPVMJAS-GOSISDBHSA-N -1 0 385.372 3.899 20 50 GHGDRM C[C@@H](Cc1ccc(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)cc1)C(=O)[O-] ZINC000762185581 978718093 /nfs/dbraw/zinc/71/80/93/978718093.db2.gz UHOCCVGYMXXBIJ-MCTKYDIJSA-N -1 0 380.282 3.842 20 50 GHGDRM C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1)C(=O)[O-] ZINC000794688375 978815404 /nfs/dbraw/zinc/81/54/04/978815404.db2.gz YWEYPTKOUNFFQM-JYVXZMADSA-N -1 0 388.782 3.877 20 50 GHGDRM C[C@H](Oc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000794696403 978817644 /nfs/dbraw/zinc/81/76/44/978817644.db2.gz UZBUZVOFNRPYPK-VAKHEIKFSA-N -1 0 391.832 3.530 20 50 GHGDRM O=C([O-])c1cccc(C=NNC(=O)c2ccc(Br)cc2Cl)c1 ZINC000814837253 978891659 /nfs/dbraw/zinc/89/16/59/978891659.db2.gz NXLGHQHUARINFA-UHFFFAOYSA-N -1 0 381.613 3.565 20 50 GHGDRM C[C@@H](Cc1ccc(NC(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592873125 979734171 /nfs/dbraw/zinc/73/41/71/979734171.db2.gz RKHHTBHHFMUSFE-JTQLQIEISA-N -1 0 392.799 3.660 20 50 GHGDRM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001592883801 979763468 /nfs/dbraw/zinc/76/34/68/979763468.db2.gz WYFZKOZXVZSGIG-SNVBAGLBSA-N -1 0 384.329 3.865 20 50 GHGDRM C[C@](NC(=O)CCCC[C@H]1CCSS1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593015897 980264214 /nfs/dbraw/zinc/26/42/14/980264214.db2.gz WBSBQFVHHXTRNN-WMLDXEAASA-N -1 0 398.506 3.725 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CC(=O)[O-])c2cccs2)c1C ZINC001596107618 983432154 /nfs/dbraw/zinc/43/21/54/983432154.db2.gz GVANYUDEXWCRMH-BRVCPTFNSA-N -1 0 385.489 3.816 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1C ZINC001596108370 983434242 /nfs/dbraw/zinc/43/42/42/983434242.db2.gz ZDXJWGKPVQCCRX-LBSJDJFWSA-N -1 0 397.519 3.914 20 50 GHGDRM CCOc1ccccc1[C@H](CC)NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001597173082 987011251 /nfs/dbraw/zinc/01/12/51/987011251.db2.gz NCICRQAUNZXZQE-INIZCTEOSA-N -1 0 375.400 3.700 20 50 GHGDRM CC(C)(C(=O)NNc1cccc(F)c1C(=O)[O-])c1ccccc1Br ZINC001589574638 987347555 /nfs/dbraw/zinc/34/75/55/987347555.db2.gz BNLUUWLZLIIOCU-UHFFFAOYSA-N -1 0 395.228 3.707 20 50 GHGDRM CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001590451843 990015665 /nfs/dbraw/zinc/01/56/65/990015665.db2.gz UFYOPVQNKKFSBE-QGZVFWFLSA-N -1 0 392.572 3.810 20 50 GHGDRM CC(C)(Cc1ccccc1)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001590821809 990658660 /nfs/dbraw/zinc/65/86/60/990658660.db2.gz BUYYDNBRTFNLEF-UHFFFAOYSA-N -1 0 391.265 3.859 20 50 GHGDRM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1C(F)(F)F ZINC001593101274 993733015 /nfs/dbraw/zinc/73/30/15/993733015.db2.gz BJDXXJMIIGXEPQ-VIFPVBQESA-N -1 0 385.317 3.930 20 50 GHGDRM COc1ccc([C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2C)C(F)(F)F)cc1 ZINC001599522096 997497819 /nfs/dbraw/zinc/49/78/19/997497819.db2.gz KGHHNVUPRULVPQ-OAHLLOKOSA-N -1 0 397.353 3.632 20 50 GHGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)[O-])cc2)c1C ZINC001599158412 998414692 /nfs/dbraw/zinc/41/46/92/998414692.db2.gz BEAJYYNPDGENDA-FNHQQPGVSA-N -1 0 381.432 3.556 20 50 GHGDRM O=C([O-])[C@@H](NNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000833149316 601430645 /nfs/dbraw/zinc/43/06/45/601430645.db2.gz MKNMOHBHODVHCU-QFIPXVFZSA-N -1 0 397.434 3.962 20 50 GHGDRM O=C([O-])Nc1cc(C(=O)NNc2ccc(F)c(F)c2F)cc(C(F)(F)F)c1 ZINC000833280914 602142979 /nfs/dbraw/zinc/14/29/79/602142979.db2.gz CSKLODHDXCVAOH-UHFFFAOYSA-N -1 0 393.243 3.970 20 50 GHGDRM 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383.429 3.582 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)/C=C(\C)c1ccccc1C(F)(F)F ZINC001599377331 998508489 /nfs/dbraw/zinc/50/84/89/998508489.db2.gz SYSDAHDMTWBVTO-PKNBQFBNSA-N -1 0 394.349 3.959 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1oc2ccccc2c1COC(C)C ZINC001599377681 998515102 /nfs/dbraw/zinc/51/51/02/998515102.db2.gz JQWUPMUWMDYORU-UHFFFAOYSA-N -1 0 398.415 3.822 20 50 GHGDRM COc1ccc(C(=O)CC(C)(C)CC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001599478531 998572017 /nfs/dbraw/zinc/57/20/17/998572017.db2.gz LSRFTILFXUZKSW-UHFFFAOYSA-N -1 0 384.432 3.526 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@](F)(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000832880785 601654968 /nfs/dbraw/zinc/65/49/68/601654968.db2.gz HOEQGSQRUGXYJA-KDHISYJLSA-N -1 0 387.455 3.542 20 50 GHGDRM Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3c[nH]c(C(=O)[O-])c3)n2)c1 ZINC000832925251 601790543 /nfs/dbraw/zinc/79/05/43/601790543.db2.gz UCLLMCFUZOLYCI-NSIKDUERSA-N -1 0 392.440 3.999 20 50 GHGDRM 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GHGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(C)n1CCC(C)C ZINC001574326753 960860957 /nfs/dbraw/zinc/86/09/57/960860957.db2.gz UZAWJSRAQJNQTH-JSRODLPJSA-N -1 0 385.508 3.627 20 50 GHGDRM CC(C)c1nccnc1NNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001592038950 976759923 /nfs/dbraw/zinc/75/99/23/976759923.db2.gz FQNTZDLGRYUAKX-UHFFFAOYSA-N -1 0 376.416 3.722 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1C ZINC000737049582 978375450 /nfs/dbraw/zinc/37/54/50/978375450.db2.gz BIYKSUVYCRKRNG-OXRZLYTFSA-N -1 0 377.444 3.637 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1C ZINC000737049580 978375575 /nfs/dbraw/zinc/37/55/75/978375575.db2.gz BIYKSUVYCRKRNG-DPWKNNTCSA-N -1 0 377.444 3.637 20 50 GHGDRM Cc1csc(-c2cccc(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c2)n1 ZINC000738814069 978602744 /nfs/dbraw/zinc/60/27/44/978602744.db2.gz MPDBFZMUUZWEEA-UHFFFAOYSA-N -1 0 384.369 3.944 20 50 GHGDRM 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389.477 3.511 20 50 GHGDRM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001594442530 999629211 /nfs/dbraw/zinc/62/92/11/999629211.db2.gz UENULVDVMPIMIX-BMLIUANNSA-N -1 0 375.375 3.613 20 50 GHGDRM O=C([O-])[C@H](NNC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000833116992 600733553 /nfs/dbraw/zinc/73/35/53/600733553.db2.gz LQNZDTZJBRSGGW-OAHLLOKOSA-N -1 0 387.650 3.636 20 50 GHGDRM O=C([O-])c1cc(OC(=O)CCc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000833102590 601152028 /nfs/dbraw/zinc/15/20/28/601152028.db2.gz RYILJFCNSHCJQV-UHFFFAOYSA-N -1 0 394.177 3.594 20 50 GHGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1C ZINC000829440757 601820473 /nfs/dbraw/zinc/82/04/73/601820473.db2.gz PYJKUAFLLLHXQX-KZFLWGQDSA-N -1 0 397.450 3.893 20 50 GHGDRM C[C@H](C(=O)NNc1cccc(C(F)(F)F)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823701204 603453958 /nfs/dbraw/zinc/45/39/58/603453958.db2.gz BBPGIGDUPDRFAW-XHDPSFHLSA-N -1 0 381.354 3.794 20 50 GHGDRM 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CC[C@@H]1CCCc2sc(NC(=O)NNc3ccc(C(=O)[O-])cc3F)nc21 ZINC001595460508 981145368 /nfs/dbraw/zinc/14/53/68/981145368.db2.gz YIBPIQLVXIMEKM-SECBINFHSA-N -1 0 378.429 3.959 20 50 GHGDRM CCCCS[C@@H](C)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595786372 982575699 /nfs/dbraw/zinc/57/56/99/982575699.db2.gz VCLPBGSABZOPGW-VIFPVBQESA-N -1 0 375.288 3.512 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])c1C ZINC001596107623 983432123 /nfs/dbraw/zinc/43/21/23/983432123.db2.gz GVSYSYMVPNMUFB-LAINMTBBSA-N -1 0 391.471 3.773 20 50 GHGDRM CCCn1c(C)c(C(=O)NNc2ccc(C(=O)[O-])cc2F)c2cc(OC)ccc21 ZINC001596107643 983432138 /nfs/dbraw/zinc/43/21/38/983432138.db2.gz HRUWBKVOXPIMNO-UHFFFAOYSA-N -1 0 399.422 3.963 20 50 GHGDRM CCN(CCC(=O)[O-])C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2)c1C ZINC001596304511 983732366 /nfs/dbraw/zinc/73/23/66/983732366.db2.gz ZVNYMFDZVFMMEH-CPNJWEJPSA-N -1 0 379.460 3.633 20 50 GHGDRM C/C(=C\C(=O)NNc1ccc(CC(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC001588942431 984636607 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CC(C)(C)c1ccc(OCCNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001590498018 990104370 /nfs/dbraw/zinc/10/43/70/990104370.db2.gz JSOZDYUWKDDGKV-UHFFFAOYSA-N -1 0 389.427 3.527 20 50 GHGDRM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001590943811 990983832 /nfs/dbraw/zinc/98/38/32/990983832.db2.gz GACCOVNIRCCXTM-UHFFFAOYSA-N -1 0 393.802 3.529 20 50 GHGDRM COc1ccccc1Oc1ccc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)nc1 ZINC001599717518 991481696 /nfs/dbraw/zinc/48/16/96/991481696.db2.gz KRZRGRZIEBSTHI-UHFFFAOYSA-N -1 0 393.399 3.646 20 50 GHGDRM COc1cc(NC(=O)NNc2cccc(C(=O)[O-])c2F)ccc1C(F)(F)F ZINC001599440281 997918658 /nfs/dbraw/zinc/91/86/58/997918658.db2.gz RSYLWESYZLGEEJ-UHFFFAOYSA-N -1 0 387.289 3.700 20 50 GHGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)OCc2cccc(C(=O)[O-])c2)c1C ZINC001599161365 998463912 /nfs/dbraw/zinc/46/39/12/998463912.db2.gz PGLACKPBVWHMJQ-VYXQJKENSA-N -1 0 396.443 3.661 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC001599375880 998485194 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COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNc1ccc(F)c(F)c1F ZINC000829188279 603557003 /nfs/dbraw/zinc/55/70/03/603557003.db2.gz SNZUSXJYKFBYEI-UHFFFAOYSA-N -1 0 389.717 3.613 20 50 GHGDRM C[C@H](Sc1ccccc1C(=O)NNc1cccc(Br)c1)C(=O)[O-] ZINC000833545266 604935679 /nfs/dbraw/zinc/93/56/79/604935679.db2.gz FZUUGAMQWCVBPL-JTQLQIEISA-N -1 0 395.278 3.771 20 50 GHGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000833522053 605746514 /nfs/dbraw/zinc/74/65/14/605746514.db2.gz WOMARTAAGWRSMP-AWEZNQCLSA-N -1 0 376.416 3.834 20 50 GHGDRM CC(C)(C)[C@@H](Br)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000833422225 605778820 /nfs/dbraw/zinc/77/88/20/605778820.db2.gz BKOFQEIFDBUJIN-JTQLQIEISA-N -1 0 386.271 3.585 20 50 GHGDRM CC(C)c1ccc([C@H](C)CC(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)cc1 ZINC000824347595 608580918 /nfs/dbraw/zinc/58/09/18/608580918.db2.gz GIXBXXWOMBERIK-GFCCVEGCSA-N -1 0 399.886 3.675 20 50 GHGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)C=C2CCC(C(C)(C)C)CC2)o1 ZINC000820203430 945378512 /nfs/dbraw/zinc/37/85/12/945378512.db2.gz UKIVLITUBSAZSF-UHFFFAOYSA-N -1 0 387.488 3.584 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1C ZINC001589694887 950158041 /nfs/dbraw/zinc/15/80/41/950158041.db2.gz SBTLFFWCYXCKCY-CAVPUYEOSA-N -1 0 379.460 3.538 20 50 GHGDRM O=C([O-])c1c(F)ccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)c1Cl ZINC001594780243 953624665 /nfs/dbraw/zinc/62/46/65/953624665.db2.gz OWQMRHOKYDOQRO-UHFFFAOYSA-N -1 0 392.696 3.740 20 50 GHGDRM O=C([O-])c1cccnc1NNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC001594681745 956695403 /nfs/dbraw/zinc/69/54/03/956695403.db2.gz AIRWCTUXFDNMEW-UHFFFAOYSA-N -1 0 389.411 3.553 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC001594301177 957912359 /nfs/dbraw/zinc/91/23/59/957912359.db2.gz NTUWEWNCNHFXDH-GFQQVXNGSA-N -1 0 385.851 3.634 20 50 GHGDRM Cc1cc(Cl)c(NC(=O)NNc2ncccc2C(=O)[O-])cc1Br ZINC001594307113 957977520 /nfs/dbraw/zinc/97/75/20/957977520.db2.gz DWSARLDUANEZKR-UHFFFAOYSA-N -1 0 399.632 3.653 20 50 GHGDRM CC(C)OCc1c2ccccc2oc1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001591731517 975711506 /nfs/dbraw/zinc/71/15/06/975711506.db2.gz ZMCXDWFJCRUPOJ-UHFFFAOYSA-N -1 0 386.379 3.952 20 50 GHGDRM CC(C)c1c(Cl)ncnc1NNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001591923333 976400849 /nfs/dbraw/zinc/40/08/49/976400849.db2.gz MWAQEJBUEDBMGK-UHFFFAOYSA-N -1 0 384.223 3.754 20 50 GHGDRM CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736343978 978321644 /nfs/dbraw/zinc/32/16/44/978321644.db2.gz MPVVFKXTQZQXAE-UHFFFAOYSA-N -1 0 379.752 3.709 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000738497999 978547382 /nfs/dbraw/zinc/54/73/82/978547382.db2.gz JMHQNGDTVUJWJX-LDADJPATSA-N -1 0 379.460 3.631 20 50 GHGDRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCC[C@H]1CCSS1 ZINC000739231130 978622077 /nfs/dbraw/zinc/62/20/77/978622077.db2.gz BIFIMWQIZPGFDP-WMLDXEAASA-N -1 0 392.546 3.994 20 50 GHGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)Nc3ccc(OC(F)F)cc3)c2c1 ZINC000739453517 978637602 /nfs/dbraw/zinc/63/76/02/978637602.db2.gz KIUMKEJSDDHJMI-UHFFFAOYSA-N -1 0 388.330 3.623 20 50 GHGDRM O=C([O-])c1cc(OC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000740088697 978667816 /nfs/dbraw/zinc/66/78/16/978667816.db2.gz VEOWJQWHOGOOIB-UHFFFAOYSA-N -1 0 395.289 3.949 20 50 GHGDRM C[C@H](C(=O)[O-])[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ccccc1 ZINC000776612720 978758311 /nfs/dbraw/zinc/75/83/11/978758311.db2.gz FFJCGOXKDSCTFR-KBXCAEBGSA-N -1 0 395.908 3.598 20 50 GHGDRM C[C@H](Oc1ccc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000794692200 978817098 /nfs/dbraw/zinc/81/70/98/978817098.db2.gz UHXXUDYEIAQZEC-LQELWAHVSA-N -1 0 387.338 3.930 20 50 GHGDRM C[C@@H](Oc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC000794880415 978825850 /nfs/dbraw/zinc/82/58/50/978825850.db2.gz RIHQHYCQMVHDNP-SNVBAGLBSA-N -1 0 381.215 3.609 20 50 GHGDRM CC[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1C)Oc1cccc(Cl)c1 ZINC001595149336 979634340 /nfs/dbraw/zinc/63/43/40/979634340.db2.gz CNBOVPOWPPWYNK-AWEZNQCLSA-N -1 0 391.855 3.830 20 50 GHGDRM CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595218279 980031643 /nfs/dbraw/zinc/03/16/43/980031643.db2.gz KVMKUTAAOGLBJN-INIZCTEOSA-N -1 0 380.448 3.524 20 50 GHGDRM CCCCOc1ccc(C(=O)NNc2cccc(F)c2C(=O)[O-])cc1OCC ZINC001595776974 982545570 /nfs/dbraw/zinc/54/55/70/982545570.db2.gz OLQWRMMKKSXZHI-UHFFFAOYSA-N -1 0 390.411 3.858 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)c1C ZINC001596108741 983435739 /nfs/dbraw/zinc/43/57/39/983435739.db2.gz NLGUIJRESAEDJR-YVLHZVERSA-N -1 0 380.448 3.771 20 50 GHGDRM Cc1c(Br)cccc1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599972015 986023264 /nfs/dbraw/zinc/02/32/64/986023264.db2.gz CBGPCTGSEBKIQU-UHFFFAOYSA-N -1 0 382.189 3.743 20 50 GHGDRM CCOc1ccc(Cl)cc1CCNC(=O)NNc1cccc(C(=O)[O-])c1C ZINC001597105102 986732885 /nfs/dbraw/zinc/73/28/85/986732885.db2.gz BXUDOOZADLFVRF-UHFFFAOYSA-N -1 0 391.855 3.614 20 50 GHGDRM CC(C)(C(=O)NNc1cccc(F)c1C(=O)[O-])c1cccc(Br)c1 ZINC001589574704 987348694 /nfs/dbraw/zinc/34/86/94/987348694.db2.gz GLUIZJNATIXZJA-UHFFFAOYSA-N -1 0 395.228 3.707 20 50 GHGDRM CCc1c(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccccc1C ZINC001597410835 987696725 /nfs/dbraw/zinc/69/67/25/987696725.db2.gz MNNPGQHBJBTESI-UHFFFAOYSA-N -1 0 378.432 3.507 20 50 GHGDRM CCc1cc(Br)ccc1NNC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001597424193 987746976 /nfs/dbraw/zinc/74/69/76/987746976.db2.gz MPUVZCSOEIIADM-UHFFFAOYSA-N -1 0 398.301 3.673 20 50 GHGDRM CCc1cc(Br)ccc1NNC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001597424225 987747184 /nfs/dbraw/zinc/74/71/84/987747184.db2.gz OTKGHBXAMZHJNK-UHFFFAOYSA-N -1 0 377.238 3.775 20 50 GHGDRM CC(C)(C)[C@H](Br)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001589699481 987785926 /nfs/dbraw/zinc/78/59/26/987785926.db2.gz LXXUKVDTFAPHCI-HUUCEWRRSA-N -1 0 378.266 3.891 20 50 GHGDRM CC(C)(C)[C@H](Br)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001589699790 987787650 /nfs/dbraw/zinc/78/76/50/987787650.db2.gz SAIQSJWQHPIJDU-MRXNPFEDSA-N -1 0 396.325 3.976 20 50 GHGDRM CSc1ccc(O[C@H](C)C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001599820437 988504421 /nfs/dbraw/zinc/50/44/21/988504421.db2.gz ZXQOWIFXCFOZGZ-SNVBAGLBSA-N -1 0 380.853 3.671 20 50 GHGDRM CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001590451842 990015409 /nfs/dbraw/zinc/01/54/09/990015409.db2.gz UFYOPVQNKKFSBE-KRWDZBQOSA-N -1 0 392.572 3.810 20 50 GHGDRM COc1ccc2nc(C3CC3)cc(C(=O)NNc3cccc(F)c3C(=O)[O-])c2c1 ZINC001599636834 994300931 /nfs/dbraw/zinc/30/09/31/994300931.db2.gz IHIKTXYJDAJHMU-UHFFFAOYSA-N -1 0 395.390 3.715 20 50 GHGDRM COc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)c(OCCC(C)C)c1 ZINC001599483526 996805811 /nfs/dbraw/zinc/80/58/11/996805811.db2.gz ATZQTIHJZNWVPH-UHFFFAOYSA-N -1 0 390.411 3.714 20 50 GHGDRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)NNc1ccc(C)cc1Cl ZINC001599256841 998318429 /nfs/dbraw/zinc/31/84/29/998318429.db2.gz VUUXKOPMGPRHFF-UHFFFAOYSA-N -1 0 393.827 3.520 20 50 GHGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)[O-])cc2C)c1C ZINC001599158307 998411910 /nfs/dbraw/zinc/41/19/10/998411910.db2.gz ADFFLOARWQAKLZ-HNIBHBHRSA-N -1 0 395.459 3.865 20 50 GHGDRM COc1ccc(-n2c(C)cc(C(=O)NNc3cccc(C(=O)[O-])c3F)c2C)cc1 ZINC001599473888 998494655 /nfs/dbraw/zinc/49/46/55/998494655.db2.gz SLGSYOACOLAXCC-UHFFFAOYSA-N -1 0 397.406 3.697 20 50 GHGDRM C[C@@H]1CC[C@@H](NC(=O)NNc2cc(C(=O)[O-])ccc2Br)C[C@H]1C ZINC001594314460 999216948 /nfs/dbraw/zinc/21/69/48/999216948.db2.gz QCYVXNNWUNYENS-CKYFFXLPSA-N -1 0 384.274 3.598 20 50 GHGDRM CC[C@@H](Oc1ccccc1Cl)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000829020958 601152866 /nfs/dbraw/zinc/15/28/66/601152866.db2.gz NSWDZYDVEGLDPH-CQSZACIVSA-N -1 0 379.752 3.709 20 50 GHGDRM O=C([O-])Nc1cc(C(=O)NNc2c(F)cccc2F)cc(C(F)(F)F)c1 ZINC000833282212 602142764 /nfs/dbraw/zinc/14/27/64/602142764.db2.gz UZESIJHRGMIPSM-UHFFFAOYSA-N -1 0 375.253 3.830 20 50 GHGDRM CC(C)(C)c1ncc(/C=C/C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000833450835 605245612 /nfs/dbraw/zinc/24/56/12/605245612.db2.gz LMJWOMMGWVJVPZ-FNORWQNLSA-N -1 0 379.869 3.949 20 50 GHGDRM CC(C)(Oc1ccc(Cl)cc1)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833462798 605247141 /nfs/dbraw/zinc/24/71/41/605247141.db2.gz KWLWVTACMPRUQC-UHFFFAOYSA-N -1 0 383.231 3.992 20 50 GHGDRM O=C([O-])c1ccc(NNC(=O)Cc2csc(-c3ccccc3)n2)cc1Cl ZINC000833765664 605248470 /nfs/dbraw/zinc/24/84/70/605248470.db2.gz VPMGAKNJKBBRLK-UHFFFAOYSA-N -1 0 387.848 3.848 20 50 GHGDRM Cc1cc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)ccc1NC(=O)[O-] ZINC000829961544 605324660 /nfs/dbraw/zinc/32/46/60/605324660.db2.gz JLDHQEYVHWZFRG-UHFFFAOYSA-N -1 0 378.310 3.732 20 50 GHGDRM O=C([O-])Nc1ccc(C(=O)NNc2ccccc2Br)c(Cl)c1 ZINC000834258385 605718313 /nfs/dbraw/zinc/71/83/13/605718313.db2.gz WIZHVXRTLCLSTB-UHFFFAOYSA-N -1 0 384.617 3.949 20 50 GHGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000833520645 605739195 /nfs/dbraw/zinc/73/91/95/605739195.db2.gz GQVQRWXQZHHATP-JTQLQIEISA-N -1 0 389.362 3.517 20 50 GHGDRM CCCOc1ccc([C@@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2)cc1OC ZINC000833652718 605742408 /nfs/dbraw/zinc/74/24/08/605742408.db2.gz YGHQSMHQFNTQLN-CYBMUJFWSA-N -1 0 387.436 3.570 20 50 GHGDRM COc1ccc2oc([C@@H](C)NC(=O)NNc3cccc(C(=O)[O-])c3)c(C)c2c1 ZINC000833735338 605744860 /nfs/dbraw/zinc/74/48/60/605744860.db2.gz WPQJAPJNYCMPII-GFCCVEGCSA-N -1 0 383.404 3.835 20 50 GHGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000833520479 605745482 /nfs/dbraw/zinc/74/54/82/605745482.db2.gz CVBRYGBVSUVSSJ-SNVBAGLBSA-N -1 0 383.326 3.671 20 50 GHGDRM CCC[C@H](CC1CCCCC1)C(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000736422205 944817049 /nfs/dbraw/zinc/81/70/49/944817049.db2.gz JEKRCRFYDGJJMB-CQSZACIVSA-N -1 0 389.504 3.808 20 50 GHGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NNc1cc(C(F)(F)F)ccc1Br ZINC001602853407 971699393 /nfs/dbraw/zinc/69/93/93/971699393.db2.gz UCYLDOADBYZIOT-JTQLQIEISA-N -1 0 397.191 3.658 20 50 GHGDRM O=C([O-])c1ccnc(NC(=O)NNc2ccc(OCc3ccccc3)cc2)c1 ZINC001594780535 953626412 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RQISWYCIGFOHQY-UHFFFAOYSA-N -1 0 386.633 3.503 20 50 GHGDRM Cc1c2cc(C(=O)/C=C/c3cnn(CCCl)c3)cnc2sc1C(=O)[O-] ZINC000738291083 978512719 /nfs/dbraw/zinc/51/27/19/978512719.db2.gz OXFCPUPGFLUSLH-NSCUHMNNSA-N -1 0 375.837 3.634 20 50 GHGDRM O=C([O-])c1cc(OC(=O)CCc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000739261636 978625858 /nfs/dbraw/zinc/62/58/58/978625858.db2.gz XEYSIPQJHPWDQY-UHFFFAOYSA-N -1 0 399.277 3.730 20 50 GHGDRM C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)cc1)C(=O)[O-] ZINC000794691106 978816922 /nfs/dbraw/zinc/81/69/22/978816922.db2.gz MCCAVMDFJIUQDH-JXCQQFQQSA-N -1 0 387.338 3.930 20 50 GHGDRM O=C([O-])Cn1cc(C=NNC(=O)c2c(Cl)cccc2Cl)c2ccccc21 ZINC000799878664 978843213 /nfs/dbraw/zinc/84/32/13/978843213.db2.gz DXOVQXSJNVMWBC-UHFFFAOYSA-N -1 0 390.226 3.797 20 50 GHGDRM C[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC001592676579 979096711 /nfs/dbraw/zinc/09/67/11/979096711.db2.gz RQVIGVFMBMALBL-NSHDSACASA-N -1 0 392.253 3.577 20 50 GHGDRM CCCC[C@@H](SCC(=O)NN=C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001595655135 982043536 /nfs/dbraw/zinc/04/35/36/982043536.db2.gz HOPDSYIZFSRRSS-GOSISDBHSA-N -1 0 384.501 3.932 20 50 GHGDRM CCCCCCOc1ccc(C(=O)NNC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001595715166 982313038 /nfs/dbraw/zinc/31/30/38/982313038.db2.gz OGXJTQNDDKLVSW-UHFFFAOYSA-N -1 0 399.447 3.810 20 50 GHGDRM CCCCOc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)c(Cl)c1 ZINC001595777545 982547473 /nfs/dbraw/zinc/54/74/73/982547473.db2.gz XCRUQJCWWCTFLT-UHFFFAOYSA-N -1 0 392.839 3.983 20 50 GHGDRM CCCc1c(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cnn1-c1ccccc1 ZINC001596045796 983336846 /nfs/dbraw/zinc/33/68/46/983336846.db2.gz OUDCHSJBCQJDBX-UHFFFAOYSA-N -1 0 398.850 3.933 20 50 GHGDRM CCCc1noc2nc(C3CC3)cc(C(=O)NNc3ccc(C)c(C(=O)[O-])c3)c12 ZINC001596101449 983425668 /nfs/dbraw/zinc/42/56/68/983425668.db2.gz NZYXJJQOASCWQS-UHFFFAOYSA-N -1 0 394.431 3.816 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](CC(=O)[O-])c2cccs2)c1C ZINC001596107620 983432168 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CC[C@H](C(=O)NNC(=O)Nc1cccc2cc(C(=O)[O-])sc21)c1ccccc1 ZINC001594737329 987280619 /nfs/dbraw/zinc/28/06/19/987280619.db2.gz UAUITUBGRPRJTP-AWEZNQCLSA-N -1 0 397.456 3.946 20 50 GHGDRM CCc1cc(Br)ccc1NNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001597423567 987745017 /nfs/dbraw/zinc/74/50/17/987745017.db2.gz DVQDZTGNTXIBGW-UHFFFAOYSA-N -1 0 383.286 3.880 20 50 GHGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589698520 987780803 /nfs/dbraw/zinc/78/08/03/987780803.db2.gz CRNZSYSHWJYLIJ-MNOVXSKESA-N -1 0 396.203 3.757 20 50 GHGDRM CCc1ccc(NNC(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)cc1 ZINC001597552352 988279898 /nfs/dbraw/zinc/27/98/98/988279898.db2.gz VPDWYPNCSVZOKQ-UHFFFAOYSA-N -1 0 396.216 3.997 20 50 GHGDRM CC(C)(C)OCc1cccc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001590398643 989931525 /nfs/dbraw/zinc/93/15/25/989931525.db2.gz LAZLPUDBBYSWDS-UHFFFAOYSA-N -1 0 375.400 3.988 20 50 GHGDRM COc1ccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)c(C(F)(F)F)c1 ZINC001599594642 993733529 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COc1cc(C(=O)[O-])ccc1NNC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC001599377156 998505265 /nfs/dbraw/zinc/50/52/65/998505265.db2.gz MOTOLVTVTSONFA-ZDUSSCGKSA-N -1 0 382.338 3.573 20 50 GHGDRM COC(=O)c1cccc(NNC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)c1C ZINC001598999783 998813391 /nfs/dbraw/zinc/81/33/91/998813391.db2.gz REFHZHCCTXBNOY-UHFFFAOYSA-N -1 0 393.399 3.782 20 50 GHGDRM O=C([O-])[C@@H](NNC(=O)CCCc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000833098261 601974942 /nfs/dbraw/zinc/97/49/42/601974942.db2.gz LLIBZXOBEYBHDD-KRWDZBQOSA-N -1 0 381.259 3.763 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)c1C ZINC000833651996 605460037 /nfs/dbraw/zinc/46/00/37/605460037.db2.gz AAPQGEYOBNPEEW-LDADJPATSA-N -1 0 395.459 3.548 20 50 GHGDRM CC(C)(C)OC(=O)Nc1cc(C(=O)NNc2ccccc2C(=O)[O-])ccc1F ZINC000833442939 605723202 /nfs/dbraw/zinc/72/32/02/605723202.db2.gz MVTXJFCXYGXHGS-UHFFFAOYSA-N -1 0 389.383 3.628 20 50 GHGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000833521510 605739293 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CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@H](CC2CCCCC2)C(C)C)o1 ZINC000735939446 944722422 /nfs/dbraw/zinc/72/24/22/944722422.db2.gz PYEHYAGYUZKCNJ-CQSZACIVSA-N -1 0 389.504 3.664 20 50 GHGDRM CCC[C@@H](CC1CCCCC1)C(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000736422202 944818628 /nfs/dbraw/zinc/81/86/28/944818628.db2.gz JEKRCRFYDGJJMB-AWEZNQCLSA-N -1 0 389.504 3.808 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1cccc(Cl)c1 ZINC001594300755 957904147 /nfs/dbraw/zinc/90/41/47/957904147.db2.gz BYLCTFMNEOEWQK-GFHWABCWSA-N -1 0 397.862 3.588 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c(C)n1CCC(C)C ZINC001594301323 957915793 /nfs/dbraw/zinc/91/57/93/957915793.db2.gz XCEPFZOUNTUEKT-JSRODLPJSA-N -1 0 385.508 3.627 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NCC2(C(=O)[O-])CCC2)c(C)n1-c1cccc(C)c1 ZINC001594386570 958679581 /nfs/dbraw/zinc/67/95/81/958679581.db2.gz NBQPNJDRCFDDIP-UNOMPAQXSA-N -1 0 391.471 3.681 20 50 GHGDRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NNc1ccc(OCc2ccccc2)cc1 ZINC001574514157 961835273 /nfs/dbraw/zinc/83/52/73/961835273.db2.gz VRPGKKNRCXWZBX-QBFSEMIESA-N -1 0 378.384 3.713 20 50 GHGDRM CC(C)CCOc1ccc(C(=O)NN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736432301 978335415 /nfs/dbraw/zinc/33/54/15/978335415.db2.gz YEWHRPRHBBQFAB-GOSISDBHSA-N -1 0 390.867 3.825 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC000737051147 978376126 /nfs/dbraw/zinc/37/61/26/978376126.db2.gz QCNSZFHHDWQAJR-OXRZLYTFSA-N -1 0 384.407 3.930 20 50 GHGDRM CCCn1c(C)cc(C=C(C#N)C(=O)NCCc2ccc(NC(=O)[O-])cc2)c1C ZINC000737050716 978376149 /nfs/dbraw/zinc/37/61/49/978376149.db2.gz NMBAQCOZZASNPY-UYRXBGFRSA-N -1 0 394.475 3.871 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)c1C ZINC000737051231 978377168 /nfs/dbraw/zinc/37/71/68/978377168.db2.gz RUZIEXFOZSGGEH-OCBOALCKSA-N -1 0 393.487 3.715 20 50 GHGDRM Cc1c(C(=O)[O-])sc2[nH]c(C(Cl)=Cc3cnn(CCCl)c3)nc(=O)c12 ZINC000738289384 978512631 /nfs/dbraw/zinc/51/26/31/978512631.db2.gz HKIBTXXIRGEPAS-WTKPLQERSA-N -1 0 399.259 3.576 20 50 GHGDRM Cc1cc(Br)ccc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738313483 978515513 /nfs/dbraw/zinc/51/55/13/978515513.db2.gz KNTDPTSHZMHZPI-UHFFFAOYSA-N -1 0 380.150 3.583 20 50 GHGDRM Cc1cc(O[C@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1Cl ZINC000738465620 978542994 /nfs/dbraw/zinc/54/29/94/978542994.db2.gz VHUFMXXHNOFXNS-SNVBAGLBSA-N -1 0 379.752 3.628 20 50 GHGDRM Cc1ccc(-c2nc(C)c(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)s2)o1 ZINC000738493895 978547527 /nfs/dbraw/zinc/54/75/27/978547527.db2.gz ZWPIKHVMHVYXML-UHFFFAOYSA-N -1 0 388.357 3.846 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c(C)n1-c1ccccc1C ZINC000738756436 978600409 /nfs/dbraw/zinc/60/04/09/978600409.db2.gz MXPQLYMKVIXICF-KELOHDTKSA-N -1 0 391.471 3.679 20 50 GHGDRM O=C([O-])Nc1ccc(CCNC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1 ZINC000740022959 978663400 /nfs/dbraw/zinc/66/34/00/978663400.db2.gz HMFMMCJWUBTDPO-UHFFFAOYSA-N -1 0 398.341 3.544 20 50 GHGDRM O=C([O-])c1c(F)cc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1F ZINC000742231666 978676204 /nfs/dbraw/zinc/67/62/04/978676204.db2.gz BPXGXEZFOFIMQI-UHFFFAOYSA-N -1 0 389.807 3.635 20 50 GHGDRM Cc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(CCCCl)cc2)c1 ZINC000776475491 978749881 /nfs/dbraw/zinc/74/98/81/978749881.db2.gz UVUWPAPXDPMFKL-GOSISDBHSA-N -1 0 395.908 3.661 20 50 GHGDRM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592838999 979594238 /nfs/dbraw/zinc/59/42/38/979594238.db2.gz SUXFDKKDZAXTFP-SNVBAGLBSA-N -1 0 384.329 3.865 20 50 GHGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2CC(=O)[O-])c1C ZINC001595803867 982626499 /nfs/dbraw/zinc/62/64/99/982626499.db2.gz VLJSHGNWTQRYBL-CIAFOILYSA-N -1 0 393.487 3.756 20 50 GHGDRM CCCOc1nc2ccccc2cc1/C=C/C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595974819 983204309 /nfs/dbraw/zinc/20/43/09/983204309.db2.gz GLLORXIPTCLBBP-ZHACJKMWSA-N -1 0 391.427 3.878 20 50 GHGDRM CCOC(=O)c1cc(NC(=O)NNc2cccc(C(=O)[O-])c2C)ccc1Cl ZINC001596710017 984922583 /nfs/dbraw/zinc/92/25/83/984922583.db2.gz OKUPZGCGMGASEH-UHFFFAOYSA-N -1 0 391.811 3.672 20 50 GHGDRM CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC001597081391 986625102 /nfs/dbraw/zinc/62/51/02/986625102.db2.gz JFQJISKVPXDCLC-UKTHLTGXSA-N -1 0 383.429 3.663 20 50 GHGDRM C[C@@H](C(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccc(Br)s1 ZINC001589424054 986686489 /nfs/dbraw/zinc/68/64/89/986686489.db2.gz RCVDHJVOXHOXMU-SSDOTTSWSA-N -1 0 387.230 3.595 20 50 GHGDRM CC(C)(C(=O)[O-])[C@H](NC(=O)NNc1ccc(Cl)cc1F)c1ccccc1 ZINC001589597695 987416822 /nfs/dbraw/zinc/41/68/22/987416822.db2.gz AAUDCKGSCORODI-OAHLLOKOSA-N -1 0 379.819 3.957 20 50 GHGDRM CCc1cc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)ccc1Br ZINC001597430541 987769947 /nfs/dbraw/zinc/76/99/47/987769947.db2.gz ACTAZZRUZKCOAM-UHFFFAOYSA-N -1 0 377.238 3.775 20 50 GHGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001589699478 987785991 /nfs/dbraw/zinc/78/59/91/987785991.db2.gz LXXUKVDTFAPHCI-GJZGRUSLSA-N -1 0 378.266 3.891 20 50 GHGDRM CSc1ccccc1C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001599823612 988557393 /nfs/dbraw/zinc/55/73/93/988557393.db2.gz ZXWOGIGHQOHGMK-UHFFFAOYSA-N -1 0 381.251 3.626 20 50 GHGDRM CC(C)(C)n1ncc(C(=O)NNc2ccc(C(=O)[O-])cc2F)c1-c1ccccc1 ZINC001590601566 990259155 /nfs/dbraw/zinc/25/91/55/990259155.db2.gz MEMFKNVXNPFCDC-UHFFFAOYSA-N -1 0 396.422 3.899 20 50 GHGDRM CC(C)Cn1ncc(C(=O)NNc2cccc(F)c2C(=O)[O-])c1-c1ccccc1 ZINC001591527531 992705983 /nfs/dbraw/zinc/70/59/83/992705983.db2.gz YOYIQHILLWBILE-UHFFFAOYSA-N -1 0 396.422 3.800 20 50 GHGDRM COc1ccc2cc(/C=C\C(=O)NNc3ccc(CC(=O)[O-])cc3)ccc2c1 ZINC001599635915 994287816 /nfs/dbraw/zinc/28/78/16/994287816.db2.gz WNHRDNLIMMNBLU-WZUFQYTHSA-N -1 0 376.412 3.632 20 50 GHGDRM CC1(C)C[C@H](NC(=O)NNc2ccc(C(=O)[O-])cc2F)c2cc(F)ccc2O1 ZINC001593859381 996649267 /nfs/dbraw/zinc/64/92/67/996649267.db2.gz TWLGKZQLGPNPQD-HNNXBMFYSA-N -1 0 391.374 3.592 20 50 GHGDRM C[C@]1(CNC(=O)Nc2cccc3cc(C(=O)[O-])sc32)C[C@H]1Br ZINC001594021196 997538776 /nfs/dbraw/zinc/53/87/76/997538776.db2.gz CKYVWVDULXQHRG-IAQYHMDHSA-N -1 0 383.267 3.895 20 50 GHGDRM COc1ccc(/C=C(/C)C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC001599543301 997880355 /nfs/dbraw/zinc/88/03/55/997880355.db2.gz ZQDUQWBIZSEQSR-YFHOEESVSA-N -1 0 378.787 3.733 20 50 GHGDRM COc1cc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)ccc1OC(C)C ZINC001599355352 998169155 /nfs/dbraw/zinc/16/91/55/998169155.db2.gz PAHFVTVPAWJJEA-UHFFFAOYSA-N -1 0 378.812 3.591 20 50 GHGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1C ZINC001599158392 998413631 /nfs/dbraw/zinc/41/36/31/998413631.db2.gz AZBFCGAXUFRPAV-TUTDSIAXSA-N -1 0 399.422 3.695 20 50 GHGDRM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599061228 999266949 /nfs/dbraw/zinc/26/69/49/999266949.db2.gz AQFZJOYAUXAHQI-MGPLVRAMSA-N -1 0 395.818 3.580 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@](F)(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000832880784 601654958 /nfs/dbraw/zinc/65/49/58/601654958.db2.gz HOEQGSQRUGXYJA-DGJFXRHUSA-N 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ZINC000833536301 605735627 /nfs/dbraw/zinc/73/56/27/605735627.db2.gz ANIBIADEDGOBAR-CQSZACIVSA-N -1 0 377.400 3.677 20 50 GHGDRM O=C([O-])c1cccc(NNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000833765254 605772760 /nfs/dbraw/zinc/77/27/60/605772760.db2.gz DPJVWWAGCVUVPM-UHFFFAOYSA-N -1 0 387.848 3.848 20 50 GHGDRM O=C([O-])c1ccc(CNC(=O)NNc2nc(Cl)c(Cl)cc2Cl)cc1 ZINC001594773874 953579725 /nfs/dbraw/zinc/57/97/25/953579725.db2.gz PMKUYABWGZTZCV-UHFFFAOYSA-N -1 0 389.626 3.566 20 50 GHGDRM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccccc2S[C@@H](Cl)C(F)(F)F)C1 ZINC000819271243 955441054 /nfs/dbraw/zinc/44/10/54/955441054.db2.gz VSZKVQWEMQXPFF-PRHODGIISA-N -1 0 382.791 3.844 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)n1-c1cccc(Cl)c1 ZINC001594300759 957904980 /nfs/dbraw/zinc/90/49/80/957904980.db2.gz BYLCTFMNEOEWQK-ZUZCKIMGSA-N -1 0 397.862 3.588 20 50 GHGDRM Cc1cc(Br)c(Cl)cc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001594269999 959791005 /nfs/dbraw/zinc/79/10/05/959791005.db2.gz JRINWCYIIPAERN-UHFFFAOYSA-N -1 0 399.632 3.653 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)NC[C@H](C(=O)[O-])C(C)C)c(C)n1-c1ccccc1F ZINC001605164475 972859121 /nfs/dbraw/zinc/85/91/21/972859121.db2.gz RLLFZZIJHMBCFV-LTXFRBGYSA-N -1 0 397.450 3.613 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1C ZINC000737050712 978376338 /nfs/dbraw/zinc/37/63/38/978376338.db2.gz NJKPSWBAXLKRSC-DHDCSXOGSA-N -1 0 397.387 3.634 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(OC)ccc2C(=O)[O-])c1C ZINC000737051246 978377002 /nfs/dbraw/zinc/37/70/02/978377002.db2.gz SKUVJFKDDVVPFM-MHWRWJLKSA-N -1 0 381.432 3.767 20 50 GHGDRM CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000737195259 978386477 /nfs/dbraw/zinc/38/64/77/978386477.db2.gz NGHXAIWKEPDORX-ATVHPVEESA-N -1 0 379.416 3.741 20 50 GHGDRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCC[C@@H]1CCSS1 ZINC000739231125 978621895 /nfs/dbraw/zinc/62/18/95/978621895.db2.gz BIFIMWQIZPGFDP-RHSMWYFYSA-N -1 0 392.546 3.994 20 50 GHGDRM Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(O[C@@H](C)C(=O)[O-])cc3)n2)cc1 ZINC000794687916 978815501 /nfs/dbraw/zinc/81/55/01/978815501.db2.gz VRTKYXWCQILEEE-FMNVXAMXSA-N -1 0 375.384 3.961 20 50 GHGDRM CC(=NNC(=O)c1sc2nc(C)cc(C)c2c1N)[C@@H](C)CCCCC(=O)[O-] ZINC000814776752 978884015 /nfs/dbraw/zinc/88/40/15/978884015.db2.gz IWOJWBYXMUNQHN-JTQLQIEISA-N -1 0 390.509 3.882 20 50 GHGDRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592840067 979602097 /nfs/dbraw/zinc/60/20/97/979602097.db2.gz ZVEPXOLYKNNJIM-LBPRGKRZSA-N -1 0 395.381 3.590 20 50 GHGDRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592840326 979605173 /nfs/dbraw/zinc/60/51/73/979605173.db2.gz XIKBVTYSOVQIQD-LLVKDONJSA-N -1 0 381.259 3.942 20 50 GHGDRM CC[C@H](CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)Oc1ccccc1Cl ZINC001595149760 979636776 /nfs/dbraw/zinc/63/67/76/979636776.db2.gz JEJQFYCNNITTMC-GFCCVEGCSA-N -1 0 395.818 3.661 20 50 GHGDRM C[C@H](Cc1ccccc1F)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001592896314 979796502 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20 50 GHGDRM CCCc1c(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC001596045934 983337919 /nfs/dbraw/zinc/33/79/19/983337919.db2.gz XJLKVOBEWBRWCI-UHFFFAOYSA-N -1 0 396.422 3.727 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1C ZINC001596107619 983432047 /nfs/dbraw/zinc/43/20/47/983432047.db2.gz GVANYUDEXWCRMH-KGZWWPETSA-N -1 0 385.489 3.816 20 50 GHGDRM C/C(=C/C(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1OC(F)F ZINC001588942391 984635842 /nfs/dbraw/zinc/63/58/42/984635842.db2.gz IZSADCPCYVHRKI-KTKRTIGZSA-N -1 0 380.322 3.672 20 50 GHGDRM C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001589002692 984948246 /nfs/dbraw/zinc/94/82/46/984948246.db2.gz QLKVMNSDGILKIW-NTMALXAHSA-N -1 0 398.312 3.969 20 50 GHGDRM Cc1c(Br)cccc1NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599972185 986026258 /nfs/dbraw/zinc/02/62/58/986026258.db2.gz GQVMLWGBZQRXME-UHFFFAOYSA-N -1 0 382.189 3.743 20 50 GHGDRM CCOc1ccc(-c2nc(CC(=O)NNc3ccccc3C(=O)[O-])cs2)cc1 ZINC001597049289 986518973 /nfs/dbraw/zinc/51/89/73/986518973.db2.gz IPKTTXXSDKHQFP-UHFFFAOYSA-N -1 0 397.456 3.593 20 50 GHGDRM C[C@@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1cccc(Br)c1 ZINC001589423387 986676934 /nfs/dbraw/zinc/67/69/34/986676934.db2.gz NDWRJBDDIJJZCS-SECBINFHSA-N -1 0 381.201 3.533 20 50 GHGDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NNc2cc(F)ccc2Br)cc1 ZINC001589511784 987142906 /nfs/dbraw/zinc/14/29/06/987142906.db2.gz ITPWPVQIXXAURG-SECBINFHSA-N -1 0 396.216 3.925 20 50 GHGDRM CCc1ccc(Br)cc1C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001597495672 988044306 /nfs/dbraw/zinc/04/43/06/988044306.db2.gz ZUXWVRBFZMWZQJ-UHFFFAOYSA-N -1 0 377.238 3.775 20 50 GHGDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](Br)C(C)(C)C)cc1 ZINC001599810255 988322905 /nfs/dbraw/zinc/32/29/05/988322905.db2.gz NGYDFFHFBKDPIK-TZMCWYRMSA-N -1 0 388.327 3.850 20 50 GHGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC001590451791 990015097 /nfs/dbraw/zinc/01/50/97/990015097.db2.gz RKOKZYSELHDGGG-INIZCTEOSA-N -1 0 377.557 3.940 20 50 GHGDRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NS(=O)(=O)CC(C)(C)CCl)cc1 ZINC001590700988 990414691 /nfs/dbraw/zinc/41/46/91/990414691.db2.gz BJDNSVBFDPYJPM-HNNXBMFYSA-N -1 0 389.945 3.684 20 50 GHGDRM CN(C)c1ccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC001598325281 991342144 /nfs/dbraw/zinc/34/21/44/991342144.db2.gz JEPGPSRLNHVWJR-UHFFFAOYSA-N -1 0 396.369 3.547 20 50 GHGDRM COc1ccccc1C[C@@H](C)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599709401 991345170 /nfs/dbraw/zinc/34/51/70/991345170.db2.gz RIZKFTKCDOMICW-GFCCVEGCSA-N -1 0 376.840 3.759 20 50 GHGDRM CC(C)Cn1ncc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1-c1ccccc1 ZINC001591526670 992704565 /nfs/dbraw/zinc/70/45/65/992704565.db2.gz LWIQOWJWXIWOJK-UHFFFAOYSA-N -1 0 396.422 3.800 20 50 GHGDRM COc1ccc2cc(/C=C\C(=O)NNc3cccc(F)c3C(=O)[O-])ccc2c1 ZINC001599635323 994279660 /nfs/dbraw/zinc/27/96/60/994279660.db2.gz MEJRCHAVJQICQU-POHAHGRESA-N -1 0 380.375 3.842 20 50 GHGDRM COC(=O)c1cc(NC(=O)NNc2ccc(Cl)cc2Cl)cc(C(=O)[O-])c1 ZINC001598946905 998074125 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0 395.459 3.865 20 50 GHGDRM O=C([O-])Nc1cc(C(=O)NNc2cc(F)c(F)cc2F)cc(C(F)(F)F)c1 ZINC000833281971 602142850 /nfs/dbraw/zinc/14/28/50/602142850.db2.gz SFSYZAWXAPQCMH-UHFFFAOYSA-N -1 0 393.243 3.970 20 50 GHGDRM CCCc1c(C(=O)NNc2cc(C(F)(F)F)ccc2F)[nH]c(C)c1C(=O)[O-] ZINC000833653354 604468333 /nfs/dbraw/zinc/46/83/33/604468333.db2.gz RDDSISCWCPXTBI-UHFFFAOYSA-N -1 0 387.333 3.889 20 50 GHGDRM C[C@@H](CSCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000827582133 604826467 /nfs/dbraw/zinc/82/64/67/604826467.db2.gz ZDYDRVZCDZNRBZ-LBPRGKRZSA-N -1 0 375.402 3.768 20 50 GHGDRM COc1ccc(NNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])cc1Cl ZINC000833733276 605244266 /nfs/dbraw/zinc/24/42/66/605244266.db2.gz KVIRNEANAAGHKH-SNVBAGLBSA-N -1 0 380.853 3.671 20 50 GHGDRM Cc1cc(NC(=O)NNc2ccc(C#N)cc2C(F)(F)F)ccc1C(=O)[O-] ZINC001600270425 970790448 /nfs/dbraw/zinc/79/04/48/970790448.db2.gz BGQHNIJGDQKIHC-UHFFFAOYSA-N -1 0 378.310 3.732 20 50 GHGDRM CCCN(CC(=O)[O-])C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2)c1C ZINC001589660079 949860072 /nfs/dbraw/zinc/86/00/72/949860072.db2.gz CYILBSQGTMECGP-XDHOZWIPSA-N -1 0 379.460 3.633 20 50 GHGDRM CC[C@H](CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C)C(=O)[O-] ZINC001589518859 955083871 /nfs/dbraw/zinc/08/38/71/955083871.db2.gz OGPNXKUNAHIYKG-HDZGYNCQSA-N -1 0 379.460 3.537 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)CC(=O)[O-])c(C)n1-c1cccc2ccccc21 ZINC001594301139 957909610 /nfs/dbraw/zinc/90/96/10/957909610.db2.gz LBHMAFHBZBHQRU-XDHOZWIPSA-N -1 0 387.439 3.697 20 50 GHGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc2scc(Br)c2c1 ZINC001605820807 972548960 /nfs/dbraw/zinc/54/89/60/972548960.db2.gz FKESICCCFNYDJE-UHFFFAOYSA-N -1 0 392.234 3.514 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(C)n1CCC(C)C ZINC001605163986 972855763 /nfs/dbraw/zinc/85/57/63/972855763.db2.gz IQVNYTRPOPKGNB-XQMQXBAFSA-N -1 0 385.508 3.627 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)CC(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC001605164547 972858946 /nfs/dbraw/zinc/85/89/46/972858946.db2.gz VYLOAYFBWPHORG-YUSFRKCESA-N -1 0 385.851 3.634 20 50 GHGDRM CC(C)c1cc(NC(=O)NNc2cccc(C(=O)[O-])c2)n(Cc2ccccc2)n1 ZINC001591934717 976443887 /nfs/dbraw/zinc/44/38/87/976443887.db2.gz AYWISYMBNMPURB-UHFFFAOYSA-N -1 0 393.447 3.902 20 50 GHGDRM CC(C)c1noc(-c2ccc(NC(=O)NNc3ccc(C(=O)[O-])cc3F)cc2)n1 ZINC001592093588 976844744 /nfs/dbraw/zinc/84/47/44/976844744.db2.gz HAMZZZHEBKYGTO-UHFFFAOYSA-N -1 0 399.382 3.846 20 50 GHGDRM CC(C)n1cnnc1-c1ccccc1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592148481 977010943 /nfs/dbraw/zinc/01/09/43/977010943.db2.gz MDKWEVGJTPVNEK-UHFFFAOYSA-N -1 0 398.398 3.512 20 50 GHGDRM O=C([O-])c1ccccc1C=NNC(=O)c1ccc(Br)cc1Cl ZINC000728782266 978293982 /nfs/dbraw/zinc/29/39/82/978293982.db2.gz KDNDYSNIABKRNJ-UHFFFAOYSA-N -1 0 381.613 3.565 20 50 GHGDRM O=C([O-])c1ccc(C=NNC(=O)c2ccc(Br)cc2Cl)cc1 ZINC000728782584 978294195 /nfs/dbraw/zinc/29/41/95/978294195.db2.gz NJGXNWHVDZWKLE-UHFFFAOYSA-N -1 0 381.613 3.565 20 50 GHGDRM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccc(CCCCl)cc2)c2ccccc21 ZINC000736424778 978333292 /nfs/dbraw/zinc/33/32/92/978333292.db2.gz ZWQSKROMENXMMB-OAHLLOKOSA-N -1 0 393.892 3.625 20 50 GHGDRM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736706268 978351380 /nfs/dbraw/zinc/35/13/80/978351380.db2.gz AGSBNJZPLIXLIW-SECBINFHSA-N -1 0 399.277 3.685 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c(C)n1CCC(C)C ZINC000738378284 978528358 /nfs/dbraw/zinc/52/83/58/978528358.db2.gz DDHSYFNIFCOJRX-QDDTUJKSSA-N -1 0 397.519 3.771 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000738378523 978528916 /nfs/dbraw/zinc/52/89/16/978528916.db2.gz ICBNDNTYMSCEMX-TWMGVTGTSA-N -1 0 383.492 3.887 20 50 GHGDRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738399279 978533577 /nfs/dbraw/zinc/53/35/77/978533577.db2.gz JJXOYTXHOSQFLV-SNVBAGLBSA-N -1 0 379.752 3.628 20 50 GHGDRM O=C([O-])c1cc(OC(=O)c2cccnc2SC(F)(F)F)ccc1[N+](=O)[O-] ZINC000740086923 978666751 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3.764 20 50 GHGDRM CCCCOc1ccc(OC)cc1NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595780612 982551004 /nfs/dbraw/zinc/55/10/04/982551004.db2.gz IRDRATXRBVXHAH-UHFFFAOYSA-N -1 0 391.399 3.860 20 50 GHGDRM CCCOc1nc2ccccc2cc1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595974757 983203959 /nfs/dbraw/zinc/20/39/59/983203959.db2.gz CCXIGOFWKVHARE-UHFFFAOYSA-N -1 0 383.379 3.618 20 50 GHGDRM CCCn1c(C)c(C(=O)NNc2ccccc2C(=O)[O-])c2cc(OC)ccc21 ZINC001596108122 983433250 /nfs/dbraw/zinc/43/32/50/983433250.db2.gz PSFVUUFYPOAPJM-UHFFFAOYSA-N -1 0 381.432 3.823 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1C ZINC001596108697 983435283 /nfs/dbraw/zinc/43/52/83/983435283.db2.gz LHHRYGQTGXTPAS-GZTJUZNOSA-N -1 0 381.432 3.524 20 50 GHGDRM C/C(=C\C(=O)NNc1cccc(C(=O)[O-])c1C)c1ccccc1OC(F)F ZINC001588942972 984638876 /nfs/dbraw/zinc/63/88/76/984638876.db2.gz UYJSRFPZIRYDBA-ZHACJKMWSA-N -1 0 376.359 3.841 20 50 GHGDRM Cc1[nH]c(C(=O)NNc2ccc(Cl)c(Br)c2)c(C)c1C(=O)[O-] ZINC001599954140 985658521 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GHGDRM COc1ccccc1[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001599700514 991211753 /nfs/dbraw/zinc/21/17/53/991211753.db2.gz SRAUOXYANPCVHB-HXUWFJFHSA-N -1 0 391.427 3.809 20 50 GHGDRM COc1ccccc1Oc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2C)nc1 ZINC001599717730 991485455 /nfs/dbraw/zinc/48/54/55/991485455.db2.gz QELDJIMXOFMVAL-UHFFFAOYSA-N -1 0 393.399 3.646 20 50 GHGDRM C[C@@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1C(F)(F)F ZINC001593101273 993733028 /nfs/dbraw/zinc/73/30/28/993733028.db2.gz BJDXXJMIIGXEPQ-SECBINFHSA-N -1 0 385.317 3.930 20 50 GHGDRM C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001594072811 997924793 /nfs/dbraw/zinc/92/47/93/997924793.db2.gz IVEFGJDEAQDNOP-CRAIPNDOSA-N -1 0 389.249 3.568 20 50 GHGDRM COC(=O)c1cc(NC(=O)NNc2cccc(C(=O)[O-])c2C)cc2ccccc21 ZINC001598946816 998072712 /nfs/dbraw/zinc/07/27/12/998072712.db2.gz DTINERTURFEBRD-UHFFFAOYSA-N -1 0 393.399 3.782 20 50 GHGDRM COC(=O)c1cc(NC(=O)NNc2cc(Cl)cc(Cl)c2)ccc1C(=O)[O-] ZINC001598947002 998074824 /nfs/dbraw/zinc/07/48/24/998074824.db2.gz QWWPKPSNVSGFRJ-UHFFFAOYSA-N -1 0 398.202 3.627 20 50 GHGDRM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599061229 999266859 /nfs/dbraw/zinc/26/68/59/999266859.db2.gz AQFZJOYAUXAHQI-QFYYESIMSA-N -1 0 395.818 3.580 20 50 GHGDRM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001594442077 999628280 /nfs/dbraw/zinc/62/82/80/999628280.db2.gz LNTYSLOZXISEOY-BMLIUANNSA-N -1 0 375.375 3.613 20 50 GHGDRM Cn1cc(C(=O)NN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000833042125 600734802 /nfs/dbraw/zinc/73/48/02/600734802.db2.gz VJQBQZVAGLHLJZ-INIZCTEOSA-N -1 0 392.242 3.545 20 50 GHGDRM O=C([O-])[C@H](NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000833098981 601429203 /nfs/dbraw/zinc/42/92/03/601429203.db2.gz WDPPZEDUMQSWFN-QGZVFWFLSA-N -1 0 397.258 3.599 20 50 GHGDRM CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1 ZINC000827428495 603945570 /nfs/dbraw/zinc/94/55/70/603945570.db2.gz TXMWSCCIAYLBNN-QINSGFPZSA-N -1 0 377.400 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951962995 /nfs/dbraw/zinc/96/29/95/951962995.db2.gz NWCYDIVJUYVTHX-UHFFFAOYSA-N -1 0 388.729 3.579 20 50 GHGDRM O=C([O-])c1cccc(CNC(=O)NNc2ccc(Br)cc2Cl)c1 ZINC001594771788 953565528 /nfs/dbraw/zinc/56/55/28/953565528.db2.gz ZXOOYUBPJUSXSS-UHFFFAOYSA-N -1 0 398.644 3.627 20 50 GHGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)[O-])c2)c1C ZINC001593956102 956425597 /nfs/dbraw/zinc/42/55/97/956425597.db2.gz JSFRKSLFYCLIDQ-BBSXFRJVSA-N -1 0 381.432 3.556 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c(C)n1-c1ccccc1F ZINC001594300360 957899582 /nfs/dbraw/zinc/89/95/82/957899582.db2.gz HFXFANZCDQMESS-YGOMYWGWSA-N -1 0 395.434 3.510 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(Cl)cc1 ZINC001594301018 957908344 /nfs/dbraw/zinc/90/83/44/957908344.db2.gz FBJLAAHDNGOJSN-ZXMBATIKSA-N -1 0 397.862 3.588 20 50 GHGDRM COc1ccc(C=C(C(=O)NNc2ncccc2C(=O)[O-])c2cccs2)cc1 ZINC001594086982 958327470 /nfs/dbraw/zinc/32/74/70/958327470.db2.gz UIOLVDWGIWWCPV-FOWTUZBSSA-N -1 0 395.440 3.534 20 50 GHGDRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NNc1ccc(OCc2ccccc2)cc1 ZINC001574514156 961835397 /nfs/dbraw/zinc/83/53/97/961835397.db2.gz VRPGKKNRCXWZBX-ACCUITESSA-N -1 0 378.384 3.713 20 50 GHGDRM O=C([O-])c1cccc(NC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c1 ZINC001605815461 972543621 /nfs/dbraw/zinc/54/36/21/972543621.db2.gz LHCGHZHHSWMFGA-UHFFFAOYSA-N -1 0 387.461 3.572 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c(C)n1CCC(C)C ZINC001605163985 972855426 /nfs/dbraw/zinc/85/54/26/972855426.db2.gz IQVNYTRPOPKGNB-UOVIRMFASA-N -1 0 385.508 3.627 20 50 GHGDRM O=C([O-])/C=C\c1cc(C(=O)NNc2ccc(Cl)cc2Br)co1 ZINC001606064514 973201701 /nfs/dbraw/zinc/20/17/01/973201701.db2.gz KSPVRGDAWNAGIE-RQOWECAXSA-N -1 0 385.601 3.550 20 50 GHGDRM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736706269 978350830 /nfs/dbraw/zinc/35/08/30/978350830.db2.gz AGSBNJZPLIXLIW-VIFPVBQESA-N -1 0 399.277 3.685 20 50 GHGDRM C[C@H]1CCc2sc(C(=O)NN[C@@H](C(=O)[O-])c3cccc(Cl)c3)cc2C1 ZINC000736804179 978356698 /nfs/dbraw/zinc/35/66/98/978356698.db2.gz BCXGRZZSGWMZFQ-MGPLVRAMSA-N -1 0 378.881 3.587 20 50 GHGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])c2cccc(C)n2)c1C ZINC000737003871 978372469 /nfs/dbraw/zinc/37/24/69/978372469.db2.gz LUEOMNHSVJMEAA-UNOMPAQXSA-N -1 0 394.475 3.633 20 50 GHGDRM CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000737195260 978386418 /nfs/dbraw/zinc/38/64/18/978386418.db2.gz NGHXAIWKEPDORX-SFQUDFHCSA-N -1 0 379.416 3.741 20 50 GHGDRM CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000737195501 978387436 /nfs/dbraw/zinc/38/74/36/978387436.db2.gz QKZKBVLPTBUHSV-DTQAZKPQSA-N -1 0 378.428 3.993 20 50 GHGDRM CN(c1ccccc1)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1 ZINC000737505627 978411966 /nfs/dbraw/zinc/41/19/66/978411966.db2.gz CJTLAYXOPKNKOC-UHFFFAOYSA-N -1 0 393.355 3.675 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c(C)n1CCC(C)C 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GLMRJVCMJGORDQ-HUUCEWRRSA-N -1 0 390.480 3.727 20 50 GHGDRM C[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccc(C(F)(F)F)cc1 ZINC001592676796 979099073 /nfs/dbraw/zinc/09/90/73/979099073.db2.gz YZPZHMCNLHTMSM-JTQLQIEISA-N -1 0 399.344 3.973 20 50 GHGDRM C[C@H](Cc1ccc(Br)cc1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001592833819 979572832 /nfs/dbraw/zinc/57/28/32/979572832.db2.gz KGDWWZNFZUHTFL-SNVBAGLBSA-N -1 0 395.228 3.608 20 50 GHGDRM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NNc1ccccc1C(=O)[O-] ZINC001592883407 979760121 /nfs/dbraw/zinc/76/01/21/979760121.db2.gz QAHGKCIEBHHHRZ-NSHDSACASA-N -1 0 382.338 3.605 20 50 GHGDRM CC[C@@]1(C)Oc2ccc(NC(=O)NNc3cccc(C(=O)[O-])c3F)cc2O1 ZINC001595371443 980850867 /nfs/dbraw/zinc/85/08/67/980850867.db2.gz DPUXCJZKEXLVAR-SFHVURJKSA-N -1 0 375.356 3.570 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1C ZINC001596107646 983432061 /nfs/dbraw/zinc/43/20/61/983432061.db2.gz HSXSAUPFLIZKCY-MFOYZWKCSA-N -1 0 383.448 3.680 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCCC2(C(=O)[O-])CCC2)c1C ZINC001596108773 983435785 /nfs/dbraw/zinc/43/57/85/983435785.db2.gz ORICAYKYCVJRLG-RGEXLXHISA-N -1 0 385.508 3.963 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(CCC(=O)[O-])ccc2O)c1C ZINC001596108881 983436549 /nfs/dbraw/zinc/43/65/49/983436549.db2.gz UEASEVIVDJKAGR-PDGQHHTCSA-N -1 0 395.459 3.783 20 50 GHGDRM C=C(C)C[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC001588537822 983602179 /nfs/dbraw/zinc/60/21/79/983602179.db2.gz YYEWDVZLRMVPRM-OWMRDYPQSA-N -1 0 395.434 3.676 20 50 GHGDRM CCN(CCC(=O)[O-])C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC001596304512 983732398 /nfs/dbraw/zinc/73/23/98/983732398.db2.gz ZVNYMFDZVFMMEH-UYRXBGFRSA-N -1 0 379.460 3.633 20 50 GHGDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001588874844 984449479 /nfs/dbraw/zinc/44/94/79/984449479.db2.gz IWHARUHDEGSMGA-UHFFFAOYSA-N -1 0 398.312 3.864 20 50 GHGDRM C/C(=C\C(=O)NNc1cc(C(=O)[O-])ccc1Br)c1ccc(F)cc1 ZINC001588942381 984635650 /nfs/dbraw/zinc/63/56/50/984635650.db2.gz IQTRZPGNCWJOHL-CSKARUKUSA-N -1 0 393.212 3.833 20 50 GHGDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NNc1ccccc1C(F)(F)F ZINC001597020434 986400480 /nfs/dbraw/zinc/40/04/80/986400480.db2.gz JMNLIDBWYVYUPX-UHFFFAOYSA-N -1 0 383.326 3.951 20 50 GHGDRM CCOc1ccccc1[C@H](CC)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001597172828 987008600 /nfs/dbraw/zinc/00/86/00/987008600.db2.gz KRFXPLYQBMWOEG-INIZCTEOSA-N -1 0 375.400 3.700 20 50 GHGDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC001589511730 987142181 /nfs/dbraw/zinc/14/21/81/987142181.db2.gz HZEHFNSGBJMIBW-SECBINFHSA-N -1 0 378.772 3.585 20 50 GHGDRM CCc1ccc(C(=O)NNC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)cc1 ZINC001597501065 988063206 /nfs/dbraw/zinc/06/32/06/988063206.db2.gz ODGOUOBBQDWKFU-UHFFFAOYSA-N -1 0 377.400 3.567 20 50 GHGDRM CCc1ccc(NNC(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)cc1 ZINC001597552060 988278108 /nfs/dbraw/zinc/27/81/08/988278108.db2.gz QNZJYAIKYFUOOV-UHFFFAOYSA-N -1 0 379.363 3.740 20 50 GHGDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](Br)C(C)(C)C)cc1 ZINC001599810252 988322638 /nfs/dbraw/zinc/32/26/38/988322638.db2.gz NGYDFFHFBKDPIK-GXTWGEPZSA-N -1 0 388.327 3.850 20 50 GHGDRM CC(C)(C)OCc1ccccc1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001590398442 989929784 /nfs/dbraw/zinc/92/97/84/989929784.db2.gz FFAHFAYWOZUEON-UHFFFAOYSA-N -1 0 375.400 3.988 20 50 GHGDRM CC(C)CCOc1ccc(C(=O)NN[C@@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001591260281 992167149 /nfs/dbraw/zinc/16/71/49/992167149.db2.gz KGTYYWBNYOUFIU-GOSISDBHSA-N -1 0 390.867 3.825 20 50 GHGDRM CC(C)Cn1ncc(C(=O)NNc2cccc(C(=O)[O-])c2F)c1-c1ccccc1 ZINC001591527525 992705746 /nfs/dbraw/zinc/70/57/46/992705746.db2.gz YCKNGYYEJAIGTM-UHFFFAOYSA-N -1 0 396.422 3.800 20 50 GHGDRM C[C@](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)(c1ccccc1)C(F)(F)F ZINC001593102324 993743268 /nfs/dbraw/zinc/74/32/68/993743268.db2.gz RPVJKEOBPWQQRT-INIZCTEOSA-N -1 0 385.317 3.628 20 50 GHGDRM C[C@@](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)(c1ccccc1)C(F)(F)F ZINC001593102325 993743510 /nfs/dbraw/zinc/74/35/10/993743510.db2.gz RPVJKEOBPWQQRT-MRXNPFEDSA-N -1 0 385.317 3.628 20 50 GHGDRM CC(C)c1ccc(NNC(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)cc1 ZINC001593632405 995919622 /nfs/dbraw/zinc/91/96/22/995919622.db2.gz UNHMTAAIAGRHFB-LBPRGKRZSA-N -1 0 375.400 3.950 20 50 GHGDRM COc1ccc(CCCCC(=O)NNc2cccc(C(=O)[O-])c2C)cc1OC ZINC001599553996 998058904 /nfs/dbraw/zinc/05/89/04/998058904.db2.gz LPNHHKAJEZGURQ-UHFFFAOYSA-N -1 0 386.448 3.567 20 50 GHGDRM COc1cc2ccc(NC(=O)NNc3ccc(CC(=O)[O-])cc3)cc2cc1OC ZINC001599466659 998373829 /nfs/dbraw/zinc/37/38/29/998373829.db2.gz OYXMOMKDFZHQAB-UHFFFAOYSA-N -1 0 395.415 3.633 20 50 GHGDRM COc1ccc(Br)c(NNC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001599476075 998534036 /nfs/dbraw/zinc/53/40/36/998534036.db2.gz XNIMFJYCAIBPMS-UHFFFAOYSA-N -1 0 394.225 3.613 20 50 GHGDRM COC(=O)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2C)c2ccccc12 ZINC001598981699 998663227 /nfs/dbraw/zinc/66/32/27/998663227.db2.gz USOASBKVEZAJLF-UHFFFAOYSA-N -1 0 393.399 3.782 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC000829580240 601346464 /nfs/dbraw/zinc/34/64/64/601346464.db2.gz UCZAZMKFQCQLLH-DEWISIQVSA-N -1 0 391.427 3.663 20 50 GHGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(=O)[O-])cs2)c1C ZINC000831651423 602183005 /nfs/dbraw/zinc/18/30/05/602183005.db2.gz YPHFZCATQQZCCH-FCGPPKDQSA-N -1 0 387.461 3.618 20 50 GHGDRM CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1 ZINC000827428491 603945586 /nfs/dbraw/zinc/94/55/86/603945586.db2.gz TXMWSCCIAYLBNN-NTCAYCPXSA-N -1 0 377.400 3.671 20 50 GHGDRM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833457305 605248358 /nfs/dbraw/zinc/24/83/58/605248358.db2.gz OHEMYJHAESNQTI-UHFFFAOYSA-N -1 0 399.875 3.565 20 50 GHGDRM CCCN(CCC)C(=O)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833651340 605709933 /nfs/dbraw/zinc/70/99/33/605709933.db2.gz XMUNAKUNNFCJGS-UHFFFAOYSA-N -1 0 398.463 3.796 20 50 GHGDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833507998 605774016 /nfs/dbraw/zinc/77/40/16/605774016.db2.gz FSZDXSWSBFQPQC-UHFFFAOYSA-N -1 0 375.406 3.550 20 50 GHGDRM COc1ccc(C=C(C(=O)NNc2ncccc2C(=O)[O-])c2cccs2)cc1 ZINC001594086983 958327301 /nfs/dbraw/zinc/32/73/01/958327301.db2.gz UIOLVDWGIWWCPV-VBKFSLOCSA-N -1 0 395.440 3.534 20 50 GHGDRM COc1cccc(Oc2ccc(NC(=O)NNc3ncccc3C(=O)[O-])cc2)c1 ZINC001574232925 960420795 /nfs/dbraw/zinc/42/07/95/960420795.db2.gz QNKCFAIVWTYFKJ-UHFFFAOYSA-N -1 0 394.387 3.729 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c(C)n1CCC(C)C ZINC001574326749 960861319 /nfs/dbraw/zinc/86/13/19/960861319.db2.gz UZAWJSRAQJNQTH-INKHXICTSA-N -1 0 385.508 3.627 20 50 GHGDRM Cc1ccc(-c2cc(C(=O)NNc3ncccc3C(=O)[O-])c3ccccc3n2)o1 ZINC001574348089 960973241 /nfs/dbraw/zinc/97/32/41/960973241.db2.gz QOEZFFPCKRCRMM-UHFFFAOYSA-N -1 0 388.383 3.653 20 50 GHGDRM O=C([O-])/C=C\c1cc(C(=O)NNc2cc(Cl)ccc2Br)co1 ZINC001606063447 973190861 /nfs/dbraw/zinc/19/08/61/973190861.db2.gz AVIRAOPMGPMWQV-RQOWECAXSA-N -1 0 385.601 3.550 20 50 GHGDRM CCOc1c(Cl)cc(NC(=O)NNc2ncccc2C(=O)[O-])cc1Cl ZINC001603850270 974354079 /nfs/dbraw/zinc/35/40/79/974354079.db2.gz RZEOOYXBVXYFPY-UHFFFAOYSA-N -1 0 385.207 3.634 20 50 GHGDRM Cc1cc(NNC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1Br ZINC000738462791 978542881 /nfs/dbraw/zinc/54/28/81/978542881.db2.gz YJJZLMSGORYNCO-UHFFFAOYSA-N -1 0 377.238 3.532 20 50 GHGDRM O=C([O-])c1cc(OC(=O)COc2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] ZINC000739324726 978628532 /nfs/dbraw/zinc/62/85/32/978628532.db2.gz RWFMKPKGTYYACV-UHFFFAOYSA-N -1 0 386.143 3.584 20 50 GHGDRM O=C([O-])Nc1cccc(C(=O)NNc2c(F)cc(F)cc2Br)c1 ZINC000740033769 978664151 /nfs/dbraw/zinc/66/41/51/978664151.db2.gz NCYXEQRMDSJGOJ-UHFFFAOYSA-N -1 0 386.152 3.574 20 50 GHGDRM C[C@@H](C(=O)[O-])[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ccccc1 ZINC000776612722 978758491 /nfs/dbraw/zinc/75/84/91/978758491.db2.gz FFJCGOXKDSCTFR-KDOFPFPSSA-N -1 0 395.908 3.598 20 50 GHGDRM O=C([O-])CCCOc1ccc(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)cc1 ZINC000776656130 978767287 /nfs/dbraw/zinc/76/72/87/978767287.db2.gz UMBXVZXNXRAFQD-XLWVJDPXSA-N -1 0 396.281 3.822 20 50 GHGDRM C[C@H](Oc1ccc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)cc1)C(=O)[O-] ZINC000794687101 978815462 /nfs/dbraw/zinc/81/54/62/978815462.db2.gz QNKZGZAHSQUGIW-IGVUGNCQSA-N -1 0 399.472 3.838 20 50 GHGDRM O=C([O-])c1cccc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc32)c1 ZINC000814696370 978873164 /nfs/dbraw/zinc/87/31/64/978873164.db2.gz MYHNQDBKYRZCIP-UHFFFAOYSA-N -1 0 396.406 3.759 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000832882051 979052429 /nfs/dbraw/zinc/05/24/29/979052429.db2.gz YHSOEVPJBFNQII-WMPJAZNBSA-N -1 0 383.492 3.696 20 50 GHGDRM C[C@@H](Cc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)cc1)C(=O)[O-] ZINC001592871734 979725423 /nfs/dbraw/zinc/72/54/23/979725423.db2.gz HWGUFJZPGAOLJI-AWEZNQCLSA-N -1 0 391.427 3.570 20 50 GHGDRM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592892143 979789591 /nfs/dbraw/zinc/78/95/91/979789591.db2.gz WEBNPQOARHLWPB-JTQLQIEISA-N -1 0 399.344 3.800 20 50 GHGDRM CCCC(=O)Nc1cccc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1C ZINC001595531871 981369115 /nfs/dbraw/zinc/36/91/15/981369115.db2.gz UTDKJEUOJZAVIV-UHFFFAOYSA-N -1 0 388.399 3.720 20 50 GHGDRM CCCC[C@H](SCC(=O)NN=C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001595655137 982043276 /nfs/dbraw/zinc/04/32/76/982043276.db2.gz HOPDSYIZFSRRSS-SFHVURJKSA-N -1 0 384.501 3.932 20 50 GHGDRM CCCOc1nc2ccccc2cc1/C=C/C(=O)NNc1ccccc1C(=O)[O-] ZINC001595974873 983205339 /nfs/dbraw/zinc/20/53/39/983205339.db2.gz JASSJTFRBYYIIL-VAWYXSNFSA-N -1 0 391.427 3.878 20 50 GHGDRM CCC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC001595987311 983238106 /nfs/dbraw/zinc/23/81/06/983238106.db2.gz BVOZPSHWXZQQKH-JVCXIRSZSA-N -1 0 383.423 3.510 20 50 GHGDRM CCC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C)C(=O)[O-] ZINC001596011374 983273351 /nfs/dbraw/zinc/27/33/51/983273351.db2.gz UEESHWRIDVDADL-OVCORXIESA-N -1 0 379.460 3.679 20 50 GHGDRM CCCc1sc(C(=O)NNc2ccc(CC(=O)[O-])cc2)cc1Br ZINC001596106074 983430527 /nfs/dbraw/zinc/43/05/27/983430527.db2.gz PVAVVQXNBKDSDD-UHFFFAOYSA-N -1 0 397.294 3.847 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CCc2ccccc2)CC(=O)[O-])c1C ZINC001596107599 983431735 /nfs/dbraw/zinc/43/17/35/983431735.db2.gz GEPAGYDOVUTPRO-KGENOOAVSA-N -1 0 393.487 3.578 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])Cc2ccccc2)c1C ZINC001596107963 983432985 /nfs/dbraw/zinc/43/29/85/983432985.db2.gz MQBHWTNTYHCUNJ-NDENLUEZSA-N -1 0 379.460 3.535 20 50 GHGDRM C/C(=C\C(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccccc1OC(F)F ZINC001588943287 984640508 /nfs/dbraw/zinc/64/05/08/984640508.db2.gz ZOGQRURYXXTRLR-CSKARUKUSA-N -1 0 380.322 3.672 20 50 GHGDRM CCOc1cccc2cc([C@H](C)NC(=O)NNc3ccc(CC(=O)[O-])cc3)oc21 ZINC001597165423 986984556 /nfs/dbraw/zinc/98/45/56/986984556.db2.gz UFWSBYZAVFDMMV-ZDUSSCGKSA-N -1 0 397.431 3.846 20 50 GHGDRM CC(C)(C(=O)NNc1ccccc1C(=O)[O-])c1csc(-c2cccs2)n1 ZINC001589575006 987351473 /nfs/dbraw/zinc/35/14/73/987351473.db2.gz SXSGMIGDJFLGCE-UHFFFAOYSA-N -1 0 387.486 3.991 20 50 GHGDRM CCc1c(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cnn1C(CC)CC ZINC001597420343 987734277 /nfs/dbraw/zinc/73/42/77/987734277.db2.gz RNFYBHCWLYTJKA-UHFFFAOYSA-N -1 0 377.420 3.793 20 50 GHGDRM CC(C)(C)OCc1ccc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001590396390 989922167 /nfs/dbraw/zinc/92/21/67/989922167.db2.gz RRGBZXOPXHSSGQ-UHFFFAOYSA-N -1 0 375.400 3.988 20 50 GHGDRM CC(C)(C)c1nc(NC(=O)[C@@H](Br)C(C)(C)C)sc1C(=O)[O-] ZINC001590542485 990172841 /nfs/dbraw/zinc/17/28/41/990172841.db2.gz WYZHOITUXFJSMI-MRVPVSSYSA-N -1 0 377.304 3.887 20 50 GHGDRM CC(C)(CNC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001590726680 990520787 /nfs/dbraw/zinc/52/07/87/990520787.db2.gz UTGPODMXJFNKHO-UHFFFAOYSA-N -1 0 375.856 3.571 20 50 GHGDRM C[C@](NC(=O)NNc1cccc(C(=O)[O-])c1)(c1ccc(F)cc1)C(F)(F)F ZINC001593102450 993745071 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ZINC001588536426 983593942 /nfs/dbraw/zinc/59/39/42/983593942.db2.gz BEEZYAHWDMVVII-OXRZLYTFSA-N -1 0 395.434 3.676 20 50 GHGDRM C/C(=C/c1ccc(Br)o1)C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001588995772 984928009 /nfs/dbraw/zinc/92/80/09/984928009.db2.gz RHEYMSYYMYITEZ-HJWRWDBZSA-N -1 0 379.210 3.595 20 50 GHGDRM CCOc1ccccc1[C@@H](CC)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001597172831 987008512 /nfs/dbraw/zinc/00/85/12/987008512.db2.gz KRFXPLYQBMWOEG-MRXNPFEDSA-N -1 0 375.400 3.700 20 50 GHGDRM CC[C@H](C(=O)NNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1ccccc1 ZINC001594736513 987277878 /nfs/dbraw/zinc/27/78/78/987277878.db2.gz NBFRNSDSCJHOCI-HNNXBMFYSA-N -1 0 391.427 3.885 20 50 GHGDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](Br)C(C)(C)C)cc1 ZINC001599810253 988322917 /nfs/dbraw/zinc/32/29/17/988322917.db2.gz NGYDFFHFBKDPIK-JSGCOSHPSA-N -1 0 388.327 3.850 20 50 GHGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001590451539 990014178 /nfs/dbraw/zinc/01/41/78/990014178.db2.gz MZQSMRFYEYYKTN-KRWDZBQOSA-N -1 0 392.572 3.810 20 50 GHGDRM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccc(OC(F)F)cc1 ZINC001593101850 993738696 /nfs/dbraw/zinc/73/86/96/993738696.db2.gz LTEFDDJNYBDTNL-VIFPVBQESA-N -1 0 383.326 3.513 20 50 GHGDRM CC1(C)CCC[C@](NS(=O)(=O)c2ccc(CCCCl)cc2)(C(=O)[O-])C1 ZINC001593898341 996760815 /nfs/dbraw/zinc/76/08/15/996760815.db2.gz CCEVMKYJOLQFJW-GOSISDBHSA-N -1 0 387.929 3.560 20 50 GHGDRM COc1ccc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)c(OC2CCCC2)c1 ZINC001599484119 996816889 /nfs/dbraw/zinc/81/68/89/996816889.db2.gz QWYFMPQUQOSGFG-UHFFFAOYSA-N -1 0 384.432 3.780 20 50 GHGDRM COc1cc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc(OC)c1C(C)C ZINC001599439210 997903867 /nfs/dbraw/zinc/90/38/67/997903867.db2.gz BARBUZXQZKFJMY-UHFFFAOYSA-N -1 0 391.399 3.813 20 50 GHGDRM COc1cc(NNC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)ccc1Cl ZINC001599444911 997991895 /nfs/dbraw/zinc/99/18/95/997991895.db2.gz MCOGNJRBNOILTR-LLVKDONJSA-N -1 0 377.828 3.760 20 50 GHGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)[O-])cc2)c1C ZINC001599158421 998414766 /nfs/dbraw/zinc/41/47/66/998414766.db2.gz BEAJYYNPDGENDA-YFEUJDIGSA-N -1 0 381.432 3.556 20 50 GHGDRM COc1ccc(-c2cncc(C(=O)NNc3ccc(C(=O)[O-])cc3F)c2)c(C)c1 ZINC001599469606 998426851 /nfs/dbraw/zinc/42/68/51/998426851.db2.gz YATJFQLHCCZJNB-UHFFFAOYSA-N -1 0 395.390 3.660 20 50 GHGDRM C[C@@H]1CCc2[nH]c3ccc(C(=O)NNc4cccc(C(=O)[O-])c4F)cc3c2C1 ZINC001594441450 999627307 /nfs/dbraw/zinc/62/73/07/999627307.db2.gz CTDKHQADPYTHDZ-LLVKDONJSA-N -1 0 381.407 3.887 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NCc2cccc(C(=O)[O-])c2)c(C)n1CC(C)C ZINC000832881377 601926928 /nfs/dbraw/zinc/92/69/28/601926928.db2.gz OWJDRGRRJQDKNJ-JMIUGGIZSA-N -1 0 379.460 3.683 20 50 GHGDRM O=C([O-])[C@H](NNC(=O)CCCc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000833098262 601974874 /nfs/dbraw/zinc/97/48/74/601974874.db2.gz LLIBZXOBEYBHDD-QGZVFWFLSA-N -1 0 381.259 3.763 20 50 GHGDRM CC(C)(C(=O)[O-])[C@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1 ZINC000826102637 604536271 /nfs/dbraw/zinc/53/62/71/604536271.db2.gz DHTVCXBIMADJNK-OAHLLOKOSA-N -1 0 381.354 3.582 20 50 GHGDRM O=C([O-])c1ccc(NNC(=O)COc2ccc(-c3ccccc3)cc2Cl)nc1 ZINC000833764501 604801849 /nfs/dbraw/zinc/80/18/49/604801849.db2.gz KFWGYKFCCORJGS-UHFFFAOYSA-N -1 0 397.818 3.622 20 50 GHGDRM CCOc1ccc(C(C)(C)C(=O)NNc2ccccc2C(=O)[O-])cc1OCC ZINC000833664619 605314539 /nfs/dbraw/zinc/31/45/39/605314539.db2.gz ZYZJXLOTWVIOFJ-UHFFFAOYSA-N -1 0 386.448 3.603 20 50 GHGDRM CC(C)Oc1cc(Br)ccc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833505913 605734631 /nfs/dbraw/zinc/73/46/31/605734631.db2.gz XYAFXLCLNXKSBY-UHFFFAOYSA-N -1 0 393.237 3.691 20 50 GHGDRM CC(C)C[C@@H](CNC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC001603010456 972062600 /nfs/dbraw/zinc/06/26/00/972062600.db2.gz NSBLMVKAUZMLND-VIFPVBQESA-N -1 0 381.782 3.732 20 50 GHGDRM O=C([O-])c1cccnc1NNC(=O)C=C(c1ccc(Cl)cc1)C(F)(F)F ZINC001594668941 956603254 /nfs/dbraw/zinc/60/32/54/956603254.db2.gz ZPZGVZWUJWXYFC-XYOKQWHBSA-N -1 0 385.729 3.522 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC001594301164 957912158 /nfs/dbraw/zinc/91/21/58/957912158.db2.gz MSFXCEIPWZYALR-MJLBXUHQSA-N -1 0 395.434 3.606 20 50 GHGDRM CCCOc1c(Br)cc(Br)cc1/C=C(/C#N)C(=O)[O-] ZINC000211380273 959682561 /nfs/dbraw/zinc/68/25/61/959682561.db2.gz WYIGJBZBKZAFEE-WTKPLQERSA-N -1 0 389.043 3.992 20 50 GHGDRM O=C([O-])c1ccc(CNC(=O)NNc2cc(Cl)ccc2Br)cc1 ZINC001605800418 972512543 /nfs/dbraw/zinc/51/25/43/972512543.db2.gz MHFYRRICLSSOPA-UHFFFAOYSA-N -1 0 398.644 3.627 20 50 GHGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCSCC2)C1 ZINC001588739188 961144653 /nfs/dbraw/zinc/14/46/53/961144653.db2.gz FAAYANIRQNAHRP-AWEZNQCLSA-N -1 0 387.618 3.597 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](C(=O)[O-])C(C)C)c(C)n1-c1ccccc1F ZINC001605164473 972858715 /nfs/dbraw/zinc/85/87/15/972858715.db2.gz RLLFZZIJHMBCFV-DAIOKFOQSA-N -1 0 397.450 3.613 20 50 GHGDRM O=C([O-])c1cccnc1NNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC001605669377 974073685 /nfs/dbraw/zinc/07/36/85/974073685.db2.gz DZEPFFWKRDHVRD-GOSISDBHSA-N -1 0 375.428 3.640 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC001603698635 974093242 /nfs/dbraw/zinc/09/32/42/974093242.db2.gz KPUCCZUFCQNZES-DPWKNNTCSA-N -1 0 383.423 3.503 20 50 GHGDRM CC(C)Oc1c(F)cc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1F ZINC001591740871 975744516 /nfs/dbraw/zinc/74/45/16/975744516.db2.gz KWXMEIWNFICEDQ-UHFFFAOYSA-N -1 0 379.363 3.528 20 50 GHGDRM CC(C)Oc1cc(Cl)ccc1CNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001591755183 975816209 /nfs/dbraw/zinc/81/62/09/975816209.db2.gz DMTQSUGPFWLWPU-UHFFFAOYSA-N -1 0 395.818 3.791 20 50 GHGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1C ZINC000737004259 978372734 /nfs/dbraw/zinc/37/27/34/978372734.db2.gz PHJGTEMOQIPQLL-UKQGIEBLSA-N -1 0 393.487 3.624 20 50 GHGDRM CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000737194357 978386395 /nfs/dbraw/zinc/38/63/95/978386395.db2.gz CHFWPQDPFVDKMB-LICLKQGHSA-N -1 0 396.468 3.949 20 50 GHGDRM CCOc1ccc(/C=C(/C#N)C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000737194370 978386730 /nfs/dbraw/zinc/38/67/30/978386730.db2.gz CTFDWIFWJGEXPK-NIFLVVHWSA-N -1 0 376.412 3.597 20 50 GHGDRM Cc1cccc(-c2nc(CC(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cs2)c1 ZINC000738680333 978586896 /nfs/dbraw/zinc/58/68/96/978586896.db2.gz FSBRISDZWRZAJF-UHFFFAOYSA-N -1 0 398.396 3.873 20 50 GHGDRM O=C([O-])c1cc(OC(=O)COc2ccc(-c3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000739324972 978628517 /nfs/dbraw/zinc/62/85/17/978628517.db2.gz VYBRURHQDSGTNH-UHFFFAOYSA-N -1 0 393.351 3.944 20 50 GHGDRM O=C([O-])c1cc(OC(=O)COc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000739323294 978628594 /nfs/dbraw/zinc/62/85/94/978628594.db2.gz DTTJSGHPPGQDLK-UHFFFAOYSA-N -1 0 386.143 3.584 20 50 GHGDRM O=C([O-])[C@@H](NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc(F)cc1 ZINC000739453038 978636195 /nfs/dbraw/zinc/63/61/95/978636195.db2.gz AQGWVHGOXTZHKX-KRWDZBQOSA-N -1 0 388.395 3.754 20 50 GHGDRM O=C([O-])CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(CCCCl)cc1 ZINC000739728438 978652280 /nfs/dbraw/zinc/65/22/80/978652280.db2.gz QJTVBBPOLXOGLB-UHFFFAOYSA-N -1 0 399.871 3.667 20 50 GHGDRM O=C([O-])COc1cccc(C(=O)NN(Cc2ccccc2)c2ccccc2)c1 ZINC000746334489 978681839 /nfs/dbraw/zinc/68/18/39/978681839.db2.gz AXQQMOGRNAHUQK-UHFFFAOYSA-N -1 0 376.412 3.502 20 50 GHGDRM C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC000794687729 978815276 /nfs/dbraw/zinc/81/52/76/978815276.db2.gz UQZDSEVBHFCGAL-YAJBTMAUSA-N -1 0 378.428 3.933 20 50 GHGDRM O=C([O-])C1(CNC(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)CC1 ZINC000853091511 979600438 /nfs/dbraw/zinc/60/04/38/979600438.db2.gz LDTNOKXNFLNBLN-JTQLQIEISA-N -1 0 382.791 3.892 20 50 GHGDRM CC[C@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)Oc1cccc(Cl)c1 ZINC001595149959 979637505 /nfs/dbraw/zinc/63/75/05/979637505.db2.gz LEERDDIGSIIQCQ-CYBMUJFWSA-N -1 0 395.818 3.661 20 50 GHGDRM CC[C@@H](CNC(=O)NNc1cccc(C(=O)[O-])c1C)Oc1ccccc1Cl ZINC001595149948 979637589 /nfs/dbraw/zinc/63/75/89/979637589.db2.gz LAAZFJJVSFKLBL-ZDUSSCGKSA-N -1 0 391.855 3.830 20 50 GHGDRM O=C([O-])c1c[nH]c2cc(NC(=O)[C@@]34CC[C@@H](C[C@@H]3Br)C4)ccc12 ZINC000864161598 979778062 /nfs/dbraw/zinc/77/80/62/979778062.db2.gz XJSWCXVFHYXYHI-QPWKKTDDSA-N -1 0 377.238 3.758 20 50 GHGDRM CC[C@H](NC(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccccc1OC(F)F ZINC001595253349 980230033 /nfs/dbraw/zinc/23/00/33/980230033.db2.gz XQCJHWZNUIPBKM-ZDUSSCGKSA-N -1 0 397.353 3.903 20 50 GHGDRM Cc1sc([C@@H]2CCCN2C(=O)[C@H](Br)C(C)(C)C)nc1C(=O)[O-] ZINC000910720015 982081885 /nfs/dbraw/zinc/08/18/85/982081885.db2.gz FLWADVKDWAWHEO-ONGXEEELSA-N -1 0 389.315 3.623 20 50 GHGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cc(C)c(C(=O)[O-])o2)c1C ZINC001595803045 982622430 /nfs/dbraw/zinc/62/24/30/982622430.db2.gz NKNHLDPZBZAUKZ-LICLKQGHSA-N -1 0 383.448 3.728 20 50 GHGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1C ZINC001595803157 982622972 /nfs/dbraw/zinc/62/29/72/982622972.db2.gz ONDFMCYKFMBVGW-YBEGLDIGSA-N -1 0 381.432 3.855 20 50 GHGDRM CCC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C)C(=O)[O-] ZINC001595987946 983241386 /nfs/dbraw/zinc/24/13/86/983241386.db2.gz UEESHWRIDVDADL-TVNWYLLRSA-N -1 0 379.460 3.679 20 50 GHGDRM C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001589000888 984942749 /nfs/dbraw/zinc/94/27/49/984942749.db2.gz FNZHRTAUZKAVST-LUAWRHEFSA-N -1 0 380.322 3.830 20 50 GHGDRM Cc1c(Br)cccc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599972643 986033943 /nfs/dbraw/zinc/03/39/43/986033943.db2.gz UYNKDTUYLWIAHA-UHFFFAOYSA-N -1 0 383.629 3.866 20 50 GHGDRM CC(C)(C(=O)NNc1ccccc1C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001589574648 987347573 /nfs/dbraw/zinc/34/75/73/987347573.db2.gz CFIOWNSHGKNRLR-UHFFFAOYSA-N -1 0 382.338 3.704 20 50 GHGDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NNc1ccc(Cl)cc1F)c1ccccc1 ZINC001589597690 987416823 /nfs/dbraw/zinc/41/68/23/987416823.db2.gz AAUDCKGSCORODI-HNNXBMFYSA-N -1 0 379.819 3.957 20 50 GHGDRM CCc1cc(Br)ccc1NNC(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001597424645 987748702 /nfs/dbraw/zinc/74/87/02/987748702.db2.gz VYJIJXVIPOJMAG-UHFFFAOYSA-N -1 0 393.241 3.562 20 50 GHGDRM CC(C)(C)[C@@H](Br)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001589699787 987787762 /nfs/dbraw/zinc/78/77/62/987787762.db2.gz SAIQSJWQHPIJDU-INIZCTEOSA-N -1 0 396.325 3.976 20 50 GHGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001590451323 990012841 /nfs/dbraw/zinc/01/28/41/990012841.db2.gz JBALPGFLSJJYID-GFCCVEGCSA-N -1 0 381.505 3.679 20 50 GHGDRM CN(C(=O)OC(C)(C)C)c1cccc(C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC001598067182 990357193 /nfs/dbraw/zinc/35/71/93/990357193.db2.gz RXAHCFVUCKMENB-UHFFFAOYSA-N -1 0 385.420 3.513 20 50 GHGDRM COc1ccc2c(c1)c(C(=O)NNc1ccc(F)c(C(=O)[O-])c1)c(C)n2C1CC1 ZINC001599632659 994241530 /nfs/dbraw/zinc/24/15/30/994241530.db2.gz ZVCNIXXNCBFNLK-UHFFFAOYSA-N -1 0 397.406 3.887 20 50 GHGDRM C[C@@H](Oc1ccc(NC(=O)NNc2cc(F)cc(Cl)c2)cc1F)C(=O)[O-] ZINC001593630577 995914050 /nfs/dbraw/zinc/91/40/50/995914050.db2.gz CMZUTXIHCADUPY-MRVPVSSYSA-N -1 0 385.754 3.619 20 50 GHGDRM COc1cc(C(=O)[O-])cc(NC(=O)NNc2ccc(Cl)cc2C)c1OC ZINC001599360623 998254549 /nfs/dbraw/zinc/25/45/49/998254549.db2.gz PMJZENFVUHWNOO-UHFFFAOYSA-N -1 0 379.800 3.512 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccccc1NC1CCCCC1 ZINC001599377081 998504653 /nfs/dbraw/zinc/50/46/53/998504653.db2.gz ZSWCWAPTDWWNHM-UHFFFAOYSA-N -1 0 383.448 3.895 20 50 GHGDRM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001594441813 999627815 /nfs/dbraw/zinc/62/78/15/999627815.db2.gz JPEPVPBILIHWAN-BTDLBPIBSA-N -1 0 375.375 3.613 20 50 GHGDRM Cc1nc(C2CCCC2)sc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000832996738 600974089 /nfs/dbraw/zinc/97/40/89/600974089.db2.gz CVYZUUMKMFVDNI-UHFFFAOYSA-N -1 0 376.390 3.935 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC000829580250 601346306 /nfs/dbraw/zinc/34/63/06/601346306.db2.gz UCZAZMKFQCQLLH-PYIVIEQSSA-N -1 0 391.427 3.663 20 50 GHGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(CCC(=O)[O-])CC2)c1C ZINC000829440092 601818544 /nfs/dbraw/zinc/81/85/44/601818544.db2.gz IUGNWSJRILIANL-ZHZULCJRSA-N -1 0 385.508 3.915 20 50 GHGDRM O=C([O-])[C@H](NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(Cl)cc(Cl)c1 ZINC000833169404 601971789 /nfs/dbraw/zinc/97/17/89/601971789.db2.gz HZLOYCSVBXVJAG-DIQJQSEOSA-N -1 0 397.302 3.956 20 50 GHGDRM O=C([O-])[C@@H](NNC(=O)c1c[nH]c2ccccc12)c1cc(Cl)cc(Cl)c1 ZINC000833149600 601971802 /nfs/dbraw/zinc/97/18/02/601971802.db2.gz WHIJHAUYICBPLX-HNNXBMFYSA-N -1 0 378.215 3.535 20 50 GHGDRM Cc1ccc(C(=O)NNC(=S)Nc2ccccc2C(C)C)cc1NC(=O)[O-] ZINC000830224875 603555148 /nfs/dbraw/zinc/55/51/48/603555148.db2.gz BMGIIMXOJNRONC-UHFFFAOYSA-N -1 0 386.477 3.840 20 50 GHGDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNc1cc(F)c(F)cc1F ZINC000829187820 603623687 /nfs/dbraw/zinc/62/36/87/603623687.db2.gz NNPJNBWGUHVTFL-UHFFFAOYSA-N -1 0 389.717 3.613 20 50 GHGDRM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833546933 604805420 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CCCn1c(C)cc(/C=C(\C#N)C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1C ZINC000737049581 978375297 /nfs/dbraw/zinc/37/52/97/978375297.db2.gz BIYKSUVYCRKRNG-GTENMVSRSA-N -1 0 377.444 3.637 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c(C)n1CC(C)C ZINC000738230289 978503656 /nfs/dbraw/zinc/50/36/56/978503656.db2.gz JQDOSBDGZUSENK-IQKNENRKSA-N -1 0 393.487 3.653 20 50 GHGDRM Cc1c(C(=O)[O-])sc2[nH]c(C(Cl)=Cc3cnn(CCCl)c3)nc(=O)c12 ZINC000738289380 978512648 /nfs/dbraw/zinc/51/26/48/978512648.db2.gz HKIBTXXIRGEPAS-RUDMXATFSA-N -1 0 399.259 3.576 20 50 GHGDRM Cc1cc(C=NNC(=O)c2c(Cl)cccc2Cl)cc(C)c1OCC(=O)[O-] ZINC000738378411 978528236 /nfs/dbraw/zinc/52/82/36/978528236.db2.gz GIDUGGDMYJEGCH-UHFFFAOYSA-N -1 0 395.242 3.838 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)CC(=O)[O-])c(C)n1-c1ccccc1F ZINC000738379046 978529674 /nfs/dbraw/zinc/52/96/74/978529674.db2.gz MOJGGVMOQOYLDB-YBEGLDIGSA-N -1 0 383.423 3.510 20 50 GHGDRM Cc1cc(C=NNC(=O)c2cccc3ccccc32)cc(C)c1OCC(=O)[O-] ZINC000738379084 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384.276 3.668 20 50 GHGDRM CC(C)Oc1cccc([C@H](C)NC(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001591791987 975992785 /nfs/dbraw/zinc/99/27/85/975992785.db2.gz WMPKCBOHWOUJIS-LBPRGKRZSA-N -1 0 375.400 3.698 20 50 GHGDRM C[C@@H](CC(=O)NNc1cc(C(=O)[O-])ccc1Br)c1ccccc1F ZINC001592252246 977482255 /nfs/dbraw/zinc/48/22/55/977482255.db2.gz MKUTYOAXKLXSAK-JTQLQIEISA-N -1 0 395.228 3.923 20 50 GHGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC(=O)[O-])c2cccc(C)n2)c1C ZINC000737003872 978372414 /nfs/dbraw/zinc/37/24/14/978372414.db2.gz LUEOMNHSVJMEAA-XDHOZWIPSA-N -1 0 394.475 3.633 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c(C)n1CCC(C)C ZINC000738378281 978528194 /nfs/dbraw/zinc/52/81/94/978528194.db2.gz DDHSYFNIFCOJRX-NURJGKTBSA-N -1 0 397.519 3.771 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c(C)n1CCC(C)C ZINC000738378460 978529236 /nfs/dbraw/zinc/52/92/36/978529236.db2.gz HCHLSDWSHPLYIL-BKQORJHRSA-N -1 0 385.508 3.770 20 50 GHGDRM O=C([O-])c1ccc(CCC(=O)Oc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000739260925 978626059 /nfs/dbraw/zinc/62/60/59/978626059.db2.gz PCEHGHDJCVYDQK-UHFFFAOYSA-N -1 0 394.177 3.594 20 50 GHGDRM O=C([O-])c1cc(OC(=O)COc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] ZINC000739323281 978628515 /nfs/dbraw/zinc/62/85/15/978628515.db2.gz DGIJISIUPWKFRT-UHFFFAOYSA-N -1 0 386.143 3.584 20 50 GHGDRM O=C([O-])CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCCCl)cc1 ZINC000739723022 978651964 /nfs/dbraw/zinc/65/19/64/978651964.db2.gz BWKJWCSYJOHKGJ-UHFFFAOYSA-N -1 0 395.908 3.524 20 50 GHGDRM CCC1(CC)Oc2ccc(NC(=O)NNc3cccc(C(=O)[O-])c3F)cc2O1 ZINC001595376991 980910115 /nfs/dbraw/zinc/91/01/15/980910115.db2.gz WBHCBFPNFGCUSJ-UHFFFAOYSA-N -1 0 389.383 3.960 20 50 GHGDRM CCCCOc1ccc(CCNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001595775797 982542140 /nfs/dbraw/zinc/54/21/40/982542140.db2.gz XLLOVYJDTVLXJK-UHFFFAOYSA-N -1 0 389.427 3.572 20 50 GHGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1C ZINC001595802742 982621785 /nfs/dbraw/zinc/62/17/85/982621785.db2.gz MAGZHPUSMKAYAM-ACSPXDACSA-N -1 0 379.460 3.754 20 50 GHGDRM C[C@H](C(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C)c1ccc2ccccc2c1 ZINC001589343565 986276051 /nfs/dbraw/zinc/27/60/51/986276051.db2.gz VWGGYLLYQOTBBL-ZDUSSCGKSA-N -1 0 383.473 3.537 20 50 GHGDRM CC/C(=C/C(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C)c1cccc(Cl)c1 ZINC001594691532 987091498 /nfs/dbraw/zinc/09/14/98/987091498.db2.gz KKRJXGAXKHRXDS-XFXZXTDPSA-N -1 0 393.896 3.727 20 50 GHGDRM CC(C)(C(=O)[O-])c1csc(NC(=O)NNc2c(Cl)cccc2Cl)n1 ZINC001589655478 987616470 /nfs/dbraw/zinc/61/64/70/987616470.db2.gz AAAGJIFMJOJQIA-UHFFFAOYSA-N -1 0 389.264 3.961 20 50 GHGDRM CCc1c(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cnn1C1CCCC1 ZINC001597407154 987692512 /nfs/dbraw/zinc/69/25/12/987692512.db2.gz RPIOBEUFVJZETK-UHFFFAOYSA-N -1 0 376.844 3.669 20 50 GHGDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NNc1ccc(C#N)cc1C(F)(F)F ZINC001597464461 987897507 /nfs/dbraw/zinc/89/75/07/987897507.db2.gz LTTHZRPGAZEMMH-UHFFFAOYSA-N -1 0 392.337 3.986 20 50 GHGDRM CCc1ccc(CNC(=O)NNc2cc(C(=O)[O-])ccc2Br)s1 ZINC001597530109 988180366 /nfs/dbraw/zinc/18/03/66/988180366.db2.gz HFMHCIMKRKZZET-UHFFFAOYSA-N -1 0 398.282 3.598 20 50 GHGDRM CC(C)(C)OC(=O)Nc1ccccc1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001590318692 989749186 /nfs/dbraw/zinc/74/91/86/989749186.db2.gz IINULAGHRUKVCI-UHFFFAOYSA-N -1 0 389.383 3.628 20 50 GHGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001590452088 990016925 /nfs/dbraw/zinc/01/69/25/990016925.db2.gz XJGLPHBVVQLQIT-KRWDZBQOSA-N -1 0 393.556 3.776 20 50 GHGDRM COc1ccccc1[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001599700513 991211525 /nfs/dbraw/zinc/21/15/25/991211525.db2.gz SRAUOXYANPCVHB-FQEVSTJZSA-N -1 0 391.427 3.809 20 50 GHGDRM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001593610602 995802907 /nfs/dbraw/zinc/80/29/07/995802907.db2.gz DVOZKORIZDEWLF-MRVPVSSYSA-N -1 0 387.194 3.741 20 50 GHGDRM CC1(C)CCCC[C@H]1NC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001593903995 996779357 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20 50 GHGDRM COC(=O)c1cccc([C@H](C(=O)[O-])N(C)CCO[Si](C)(C)C(C)(C)C)c1 ZINC001598992431 998749794 /nfs/dbraw/zinc/74/97/94/998749794.db2.gz UUJNIOSWJXXMJW-MRXNPFEDSA-N -1 0 381.545 3.553 20 50 GHGDRM COC(=O)c1cccc(NNC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)c1F ZINC001598999176 998808375 /nfs/dbraw/zinc/80/83/75/998808375.db2.gz CCRIIOBZDSWLIF-UHFFFAOYSA-N -1 0 397.362 3.612 20 50 GHGDRM C[C@@H]1CC[C@H](NC(=O)NNc2cc(C(=O)[O-])ccc2Br)C[C@@H]1C ZINC001594314464 999216981 /nfs/dbraw/zinc/21/69/81/999216981.db2.gz QCYVXNNWUNYENS-SCVCMEIPSA-N -1 0 384.274 3.598 20 50 GHGDRM Cc1ccc(SCC(=O)NN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000832957555 600733258 /nfs/dbraw/zinc/73/32/58/600733258.db2.gz MLRHAPWETRCPPE-MRXNPFEDSA-N -1 0 399.299 3.841 20 50 GHGDRM Cc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)cc(C)c1OCC(=O)[O-] ZINC000832864540 601756122 /nfs/dbraw/zinc/75/61/22/601756122.db2.gz MOWMBKIMAZOAGR-UHFFFAOYSA-N -1 0 382.338 3.543 20 50 GHGDRM CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3c[nH]c(C(=O)[O-])c3)n2)cc1 ZINC000830228786 601790221 /nfs/dbraw/zinc/79/02/21/601790221.db2.gz DXVBGGOGYQQGKU-VIZOYTHASA-N -1 0 392.440 3.944 20 50 GHGDRM CC(C)(C(=O)NN[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000826081435 601973949 /nfs/dbraw/zinc/97/39/49/601973949.db2.gz SNBSVXZZTWYHSU-HNNXBMFYSA-N -1 0 381.259 3.718 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C(=O)[O-])cs2)c(C)n1C[C@@H]1CCCO1 ZINC000832881610 602179634 /nfs/dbraw/zinc/17/96/34/602179634.db2.gz SMGCRIIGJUAIKA-QRMGNNRRSA-N -1 0 399.472 3.589 20 50 GHGDRM N#C/C(=C\c1cccc2c1N(C(=O)[O-])CC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000831064327 603811857 /nfs/dbraw/zinc/81/18/57/603811857.db2.gz FPYZKBOIBQRFHS-MHWRWJLKSA-N -1 0 388.832 3.719 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1C ZINC000833653055 604892664 /nfs/dbraw/zinc/89/26/64/604892664.db2.gz TUVPDJOLCOESIC-GQEMFKIVSA-N -1 0 385.508 3.771 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(CC)c(C(=O)[O-])s2)c1C ZINC000833652463 604994340 /nfs/dbraw/zinc/99/43/40/604994340.db2.gz JDIUMEKMORIVCH-ZROIWOOFSA-N -1 0 386.477 3.778 20 50 GHGDRM CC(C)(C)OC(=O)c1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833444356 605245704 /nfs/dbraw/zinc/24/57/04/605245704.db2.gz BENHGDLCDNKIRO-UHFFFAOYSA-N -1 0 390.823 3.750 20 50 GHGDRM CC(C)(C)Cc1nc(-c2cccc(C(=O)NNc3ccccc3C(=O)[O-])c2)no1 ZINC000833431583 605721151 /nfs/dbraw/zinc/72/11/51/605721151.db2.gz RPDJEKFXCKEZNK-UHFFFAOYSA-N -1 0 394.431 3.780 20 50 GHGDRM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833473138 605732363 /nfs/dbraw/zinc/73/23/63/605732363.db2.gz HQPTVSHPPSKPOA-UHFFFAOYSA-N -1 0 389.839 3.780 20 50 GHGDRM C[C@H](Oc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cn1)c1ccccc1 ZINC000833536297 605735685 /nfs/dbraw/zinc/73/56/85/605735685.db2.gz ANIBIADEDGOBAR-AWEZNQCLSA-N -1 0 377.400 3.677 20 50 GHGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000833520478 605745798 /nfs/dbraw/zinc/74/57/98/605745798.db2.gz CVBRYGBVSUVSSJ-JTQLQIEISA-N -1 0 383.326 3.671 20 50 GHGDRM Cc1cc(C(=O)NNC(=S)Nc2ccccc2C(C)C)ccc1NC(=O)[O-] ZINC000829962188 605809817 /nfs/dbraw/zinc/80/98/17/605809817.db2.gz VGZBMDIEHBUQFJ-UHFFFAOYSA-N -1 0 386.477 3.840 20 50 GHGDRM N#CC(=Cc1cc(Cl)c([O-])cc1Cl)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379276 608217457 /nfs/dbraw/zinc/21/74/57/608217457.db2.gz NSBZWQCPSRINQS-LFYBBSHMSA-N -1 0 386.198 3.669 20 50 GHGDRM O=C([O-])c1cccnc1NNC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC001594781953 953639794 /nfs/dbraw/zinc/63/97/94/953639794.db2.gz LYQFABDCJBRSMV-UHFFFAOYSA-N -1 0 389.843 3.572 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)CC(=O)[O-])c(C)n1-c1cccc2ccccc21 ZINC001594301138 957909389 /nfs/dbraw/zinc/90/93/89/957909389.db2.gz LBHMAFHBZBHQRU-UNOMPAQXSA-N -1 0 387.439 3.697 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NCCCCC(=O)[O-])c(C)n1-c1ccccc1C ZINC001594414133 958985554 /nfs/dbraw/zinc/98/55/54/958985554.db2.gz YLRXHJDXBPRRFL-UYRXBGFRSA-N -1 0 379.460 3.681 20 50 GHGDRM O=C([O-])[C@@H]1C[C@H](NC(=O)NNc2ccccc2C(F)(F)F)c2ccccc21 ZINC001574578408 962087724 /nfs/dbraw/zinc/08/77/24/962087724.db2.gz GXKPEYFZRYOYHD-DOMZBBRYSA-N -1 0 379.338 3.645 20 50 GHGDRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736704539 978351249 /nfs/dbraw/zinc/35/12/49/978351249.db2.gz RUFVUXBEYSRLRW-GFCCVEGCSA-N -1 0 387.388 3.963 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)CC(=O)[O-])c(C)n1-c1ccccc1C ZINC000738756682 978600546 /nfs/dbraw/zinc/60/05/46/978600546.db2.gz OGJBWTBKOBEJHX-WQRHYEAKSA-N -1 0 379.460 3.679 20 50 GHGDRM O=C([O-])c1cc(OC(=O)c2cnn(-c3ccccc3)c2C2CC2)ccc1[N+](=O)[O-] ZINC000740088674 978667823 /nfs/dbraw/zinc/66/78/23/978667823.db2.gz SWXDXFCJBANFKZ-UHFFFAOYSA-N -1 0 393.355 3.575 20 50 GHGDRM C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000794692199 978817030 /nfs/dbraw/zinc/81/70/30/978817030.db2.gz UHXXUDYEIAQZEC-HLVNSREUSA-N -1 0 387.338 3.930 20 50 GHGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)c2ncc(C(=O)[O-])s2)c1C ZINC000829441372 978998807 /nfs/dbraw/zinc/99/88/07/978998807.db2.gz 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957902547 /nfs/dbraw/zinc/90/25/47/957902547.db2.gz SOYBGXJNPLCNIS-FCUTUNPQSA-N -1 0 397.862 3.634 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(Cl)cc1 ZINC001594301015 957907648 /nfs/dbraw/zinc/90/76/48/957907648.db2.gz FBJLAAHDNGOJSN-ADFUCPMPSA-N -1 0 397.862 3.588 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NCC2(C(=O)[O-])CCC2)c(C)n1-c1ccc(F)cc1 ZINC001594301019 957907957 /nfs/dbraw/zinc/90/79/57/957907957.db2.gz FDIBJRFIMFQRGU-BOPFTXTBSA-N -1 0 395.434 3.511 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NC[C@H](C(=O)[O-])C(C)C)c(C)n1-c1ccc(F)cc1 ZINC001594301142 957912213 /nfs/dbraw/zinc/91/22/13/957912213.db2.gz LGNAYUIYHQETRL-PSXSOWLISA-N -1 0 397.450 3.613 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c(C)n1-c1ccccc1F ZINC001574326271 960856462 /nfs/dbraw/zinc/85/64/62/960856462.db2.gz NBFKBTHZCQJJAJ-CZPSDNDTSA-N -1 0 395.434 3.604 20 50 GHGDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001605101963 972756900 /nfs/dbraw/zinc/75/69/00/972756900.db2.gz JHZDDCMFHZTDJA-UHFFFAOYSA-N -1 0 388.383 3.509 20 50 GHGDRM CC(C)OCc1c2ccccc2oc1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001591731431 975709468 /nfs/dbraw/zinc/70/94/68/975709468.db2.gz YBQIRYHBQBHEII-UHFFFAOYSA-N -1 0 386.379 3.952 20 50 GHGDRM CC(C)c1ccc(Cn2nccc2NC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001591957622 976532823 /nfs/dbraw/zinc/53/28/23/976532823.db2.gz VARDAJQYGFCNLW-UHFFFAOYSA-N -1 0 393.447 3.902 20 50 GHGDRM CC(C)c1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)nn1C(C)(C)C ZINC000736514964 978340109 /nfs/dbraw/zinc/34/01/09/978340109.db2.gz BKTWULXKCHNFBQ-UHFFFAOYSA-N -1 0 375.381 3.587 20 50 GHGDRM O=C([O-])Nc1ccccc1C(=O)NNc1c(F)cc(F)cc1Br ZINC000740046306 978665333 /nfs/dbraw/zinc/66/53/33/978665333.db2.gz QQALBDRPTOTBNK-UHFFFAOYSA-N -1 0 386.152 3.574 20 50 GHGDRM COc1cc(OC)c(NC(=O)NN=C(C)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000741771582 978676215 /nfs/dbraw/zinc/67/62/15/978676215.db2.gz KZXNAVFNIFFBDM-UHFFFAOYSA-N -1 0 391.811 3.601 20 50 GHGDRM N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000780374586 978790266 /nfs/dbraw/zinc/79/02/66/978790266.db2.gz NBECLJWZCWZOCV-RIYZIHGNSA-N -1 0 375.302 3.959 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000832882049 979052507 /nfs/dbraw/zinc/05/25/07/979052507.db2.gz YHSOEVPJBFNQII-GKQLXLAUSA-N -1 0 383.492 3.696 20 50 GHGDRM C[C@H](Cc1ccc(NC(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592873128 979734344 /nfs/dbraw/zinc/73/43/44/979734344.db2.gz RKHHTBHHFMUSFE-SNVBAGLBSA-N -1 0 392.799 3.660 20 50 GHGDRM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001592883206 979757870 /nfs/dbraw/zinc/75/78/70/979757870.db2.gz MZAXEYAIYUNBOA-LLVKDONJSA-N -1 0 382.338 3.605 20 50 GHGDRM C[C@H](Cc1ccccc1)n1cccc1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001592891413 979782381 /nfs/dbraw/zinc/78/23/81/979782381.db2.gz LRGHAPLAHJDYSM-CQSZACIVSA-N -1 0 381.407 3.886 20 50 GHGDRM CCCN(NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])C(=O)OC(C)(C)C ZINC001595894613 982930621 /nfs/dbraw/zinc/93/06/21/982930621.db2.gz NLPPUWFFJDUZPW-LBPRGKRZSA-N -1 0 382.482 3.544 20 50 GHGDRM CCCOc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)c(OC(C)C)c1 ZINC001595954940 983142768 /nfs/dbraw/zinc/14/27/68/983142768.db2.gz TUMOLTMHCKQGJH-UHFFFAOYSA-N -1 0 390.411 3.857 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(C(=O)[O-])CCC(CC)CC2)c1C ZINC001596107677 983432426 /nfs/dbraw/zinc/43/24/26/983432426.db2.gz IUGPRIVGDIWPLS-CPNJWEJPSA-N -1 0 385.508 3.962 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c1C ZINC001596108672 983435366 /nfs/dbraw/zinc/43/53/66/983435366.db2.gz KACXTFRLKPWABM-FMTUWFKASA-N -1 0 393.487 3.581 20 50 GHGDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001588874961 984450174 /nfs/dbraw/zinc/45/01/74/984450174.db2.gz MGBWFYIWIFKRLD-UHFFFAOYSA-N -1 0 398.312 3.864 20 50 GHGDRM CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001589323832 986151281 /nfs/dbraw/zinc/15/12/81/986151281.db2.gz OQCWCZYHJZKYSP-UHFFFAOYSA-N -1 0 380.400 3.636 20 50 GHGDRM CC(C)(C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC001589574979 987350649 /nfs/dbraw/zinc/35/06/49/987350649.db2.gz RGFXFPKKGQXDOI-UHFFFAOYSA-N -1 0 396.365 3.633 20 50 GHGDRM CCc1c(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cnn1CCC(C)C ZINC001597407054 987691423 /nfs/dbraw/zinc/69/14/23/987691423.db2.gz KLDQKDJJWHGYFE-UHFFFAOYSA-N -1 0 378.860 3.600 20 50 GHGDRM CSc1cc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)ccc1F ZINC001599806540 988265735 /nfs/dbraw/zinc/26/57/35/988265735.db2.gz ITBFBJCPZASEIZ-UHFFFAOYSA-N -1 0 399.241 3.765 20 50 GHGDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](Br)C(C)(C)C)cc1 ZINC001599810254 988322259 /nfs/dbraw/zinc/32/22/59/988322259.db2.gz NGYDFFHFBKDPIK-OCCSQVGLSA-N -1 0 388.327 3.850 20 50 GHGDRM CC(C)(CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1cccc(Cl)c1F ZINC001590726299 990515810 /nfs/dbraw/zinc/51/58/10/990515810.db2.gz HCRKLXONUWJWTD-UHFFFAOYSA-N -1 0 397.809 3.920 20 50 GHGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)c1cccc(OC(F)F)c1 ZINC001593101757 993737888 /nfs/dbraw/zinc/73/78/88/993737888.db2.gz KJRAYLSHXAQDNJ-SECBINFHSA-N -1 0 383.326 3.513 20 50 GHGDRM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccccc1OC(F)F ZINC001593102237 993742454 /nfs/dbraw/zinc/74/24/54/993742454.db2.gz QBIXXAIFWWTNPH-VIFPVBQESA-N -1 0 383.326 3.513 20 50 GHGDRM COc1ccc2cc(/C=C/C(=O)NNc3ccc(CC(=O)[O-])cc3)ccc2c1 ZINC001599635914 994287547 /nfs/dbraw/zinc/28/75/47/994287547.db2.gz WNHRDNLIMMNBLU-VZUCSPMQSA-N -1 0 376.412 3.632 20 50 GHGDRM C[C@]1(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)C[C@@H]1Br ZINC001593761683 996423734 /nfs/dbraw/zinc/42/37/34/996423734.db2.gz CXSGVQRJZNRZAO-LRDDRELGSA-N -1 0 395.278 3.544 20 50 GHGDRM COc1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2C)c(C(F)(F)F)c1 ZINC001599567026 998303783 /nfs/dbraw/zinc/30/37/83/998303783.db2.gz LRFGTOLWXQDJTB-UHFFFAOYSA-N -1 0 397.353 3.547 20 50 GHGDRM C[C@@H]1[C@@H](C(=O)NNc2cc(C(=O)[O-])ccc2Br)[C@@H]1c1ccccc1 ZINC001594135047 998367735 /nfs/dbraw/zinc/36/77/35/998367735.db2.gz DLHJOSNNEQYURZ-CIISACIHSA-N -1 0 389.249 3.640 20 50 GHGDRM Cn1cc(C(=O)NN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000833042127 600734782 /nfs/dbraw/zinc/73/47/82/600734782.db2.gz VJQBQZVAGLHLJZ-MRXNPFEDSA-N -1 0 392.242 3.545 20 50 GHGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1C ZINC000831651308 601062053 /nfs/dbraw/zinc/06/20/53/601062053.db2.gz VQMAIAYAXXTRRN-UPAIAECRSA-N -1 0 395.459 3.865 20 50 GHGDRM Cc1ccccc1NC(=O)NNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000832978417 602060368 /nfs/dbraw/zinc/06/03/68/602060368.db2.gz DURRFDMXBYYMJO-UHFFFAOYSA-N -1 0 396.325 3.570 20 50 GHGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(=O)[O-])cs2)c1C ZINC000831651421 602182732 /nfs/dbraw/zinc/18/27/32/602182732.db2.gz YPHFZCATQQZCCH-BYQGBLLGSA-N -1 0 387.461 3.618 20 50 GHGDRM C=CCc1cc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc(OC)c1OC ZINC000833377848 605248390 /nfs/dbraw/zinc/24/83/90/605248390.db2.gz CJAXTOAPQRGVIK-UHFFFAOYSA-N -1 0 390.823 3.541 20 50 GHGDRM CCN(CC)c1nc2sc(C(=O)NNc3ccccc3C(=O)[O-])cc2s1 ZINC000833654668 605261047 /nfs/dbraw/zinc/26/10/47/605261047.db2.gz ZEPUCVKBJOOEEW-UHFFFAOYSA-N -1 0 390.490 3.659 20 50 GHGDRM C[C@H](Sc1ccc(Br)cc1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833546757 605733259 /nfs/dbraw/zinc/73/32/59/605733259.db2.gz VIOIKGJHEKGGTJ-JTQLQIEISA-N -1 0 395.278 3.771 20 50 GHGDRM O=C([O-])C1(C(=O)NNc2ccc(Br)cc2Cl)CCCCC1 ZINC001594864682 954311065 /nfs/dbraw/zinc/31/10/65/954311065.db2.gz KCKROLGJVZOKQE-UHFFFAOYSA-N -1 0 375.650 3.581 20 50 GHGDRM Cc1cc(CC(=O)NNc2ncccc2C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC001594300634 957903311 /nfs/dbraw/zinc/90/33/11/957903311.db2.gz SLHCLCHJUDPWGK-UHFFFAOYSA-N -1 0 398.850 3.527 20 50 GHGDRM O=C([O-])c1cccnc1NNC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001574820570 957908513 /nfs/dbraw/zinc/90/85/13/957908513.db2.gz SISUTYAAOKBFQE-QGZVFWFLSA-N -1 0 381.819 3.708 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NCC2(C(=O)[O-])CCC2)c(C)n1-c1ccccc1F ZINC001594301402 957917599 /nfs/dbraw/zinc/91/75/99/957917599.db2.gz ZJYLCAJOWFFSEG-BOPFTXTBSA-N -1 0 395.434 3.511 20 50 GHGDRM Cc1ccc(Sc2ncccc2C(=O)NNc2ncccc2C(=O)[O-])c(C)c1 ZINC001594378434 958610143 /nfs/dbraw/zinc/61/01/43/958610143.db2.gz ZPVGDEMSWOMFID-UHFFFAOYSA-N -1 0 394.456 3.700 20 50 GHGDRM Cc1cccc(Br)c1NNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001605320207 973153791 /nfs/dbraw/zinc/15/37/91/973153791.db2.gz FDAJJWKOYOYHGY-GRYCIOLGSA-N -1 0 398.301 3.519 20 50 GHGDRM O=C([O-])/C=C/c1cc(C(=O)NNc2cc(Cl)ccc2Br)co1 ZINC001606063445 973190981 /nfs/dbraw/zinc/19/09/81/973190981.db2.gz AVIRAOPMGPMWQV-DUXPYHPUSA-N -1 0 385.601 3.550 20 50 GHGDRM N#Cc1cc(NC(=O)NNc2ncccc2C(=O)[O-])ccc1Oc1ccccc1 ZINC001605597342 973898236 /nfs/dbraw/zinc/89/82/36/973898236.db2.gz NFFUTTLMSVRGES-UHFFFAOYSA-N -1 0 389.371 3.592 20 50 GHGDRM CC(C)c1c(C(=O)NNc2cccc(C(=O)[O-])c2F)cnn1-c1ccccc1 ZINC001591923852 976402196 /nfs/dbraw/zinc/40/21/96/976402196.db2.gz VCCNEUQJUHTSSL-UHFFFAOYSA-N -1 0 382.395 3.590 20 50 GHGDRM N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000728787982 978294142 /nfs/dbraw/zinc/29/41/42/978294142.db2.gz ZCHOMLOFTVDWDX-NTEUORMPSA-N -1 0 375.302 3.959 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC000737051139 978376495 /nfs/dbraw/zinc/37/64/95/978376495.db2.gz QCNSZFHHDWQAJR-DPWKNNTCSA-N -1 0 384.407 3.930 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(C)n1CC(C)C ZINC000738380391 978531180 /nfs/dbraw/zinc/53/11/80/978531180.db2.gz ZXHHAWIWKXJLDD-UKWGHVSLSA-N -1 0 391.471 3.909 20 50 GHGDRM O=C([O-])c1cc(OC(=O)c2cc(C3CC3)nn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000740087467 978667259 /nfs/dbraw/zinc/66/72/59/978667259.db2.gz MRXOZFIEDJJLDD-UHFFFAOYSA-N -1 0 393.355 3.575 20 50 GHGDRM C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)cc1)C(=O)[O-] ZINC000794687104 978815318 /nfs/dbraw/zinc/81/53/18/978815318.db2.gz QNKZGZAHSQUGIW-ZMTLZGASSA-N -1 0 399.472 3.838 20 50 GHGDRM Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCC(C(=O)[O-])CC3)cc12 ZINC000814695482 978873255 /nfs/dbraw/zinc/87/32/55/978873255.db2.gz DPTJMFPJBZMZRD-UHFFFAOYSA-N -1 0 396.472 3.756 20 50 GHGDRM O=C([O-])C[C@@H]1CN(C(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)c2ccccc21 ZINC000864226782 979913895 /nfs/dbraw/zinc/91/38/95/979913895.db2.gz QMLDOURIHHILPK-NYPXFFEGSA-N -1 0 378.266 3.545 20 50 GHGDRM CCCCOc1ccc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1OCC ZINC001595776593 982544647 /nfs/dbraw/zinc/54/46/47/982544647.db2.gz HOKDXLSTZAHSHY-UHFFFAOYSA-N -1 0 390.411 3.858 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCCCC2(C(=O)[O-])CCC2)c1C ZINC001596108774 983435651 /nfs/dbraw/zinc/43/56/51/983435651.db2.gz ORICAYKYCVJRLG-XMHGGMMESA-N -1 0 385.508 3.963 20 50 GHGDRM C/C(=C/c1ccc(F)cc1)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001588999383 984937876 /nfs/dbraw/zinc/93/78/76/984937876.db2.gz SYVAFFCWODVNTM-NTMALXAHSA-N -1 0 393.212 3.833 20 50 GHGDRM C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001589003089 984950555 /nfs/dbraw/zinc/95/05/55/984950555.db2.gz VEJWCLHVLDWFOS-CSKARUKUSA-N -1 0 398.312 3.969 20 50 GHGDRM CCC(=O)Nc1ccc(Cl)c(NC(=O)NNc2cccc(C(=O)[O-])c2F)c1 ZINC001594710453 987170471 /nfs/dbraw/zinc/17/04/71/987170471.db2.gz KWDTXGDGVARTKN-UHFFFAOYSA-N -1 0 394.790 3.674 20 50 GHGDRM CCc1ccc(-c2nc(CC(=O)NNc3ccc(C(=O)[O-])c(F)c3)cs2)cc1 ZINC001597492136 988024023 /nfs/dbraw/zinc/02/40/23/988024023.db2.gz KYEQYMVJRBUSOS-UHFFFAOYSA-N -1 0 399.447 3.896 20 50 GHGDRM CCc1nc2ccccc2n1CC(=O)NN=C1CCC[C@@H](CCCC(=O)[O-])C1 ZINC001597695256 988891963 /nfs/dbraw/zinc/89/19/63/988891963.db2.gz BAEXTUOJEWXGMI-HNNXBMFYSA-N -1 0 384.480 3.516 20 50 GHGDRM CC(C)(C)OC(=O)c1ccccc1NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001590369418 989855477 /nfs/dbraw/zinc/85/54/77/989855477.db2.gz RBGRXGDITGERRD-UHFFFAOYSA-N -1 0 389.383 3.628 20 50 GHGDRM CC(C)[C@H]1CCc2nc(NC(=O)NNc3cccc(C(=O)[O-])c3F)sc2C1 ZINC001591095621 991682674 /nfs/dbraw/zinc/68/26/74/991682674.db2.gz YCCKMHMEYLLMBK-JTQLQIEISA-N -1 0 392.456 3.890 20 50 GHGDRM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ncc(-c2ccccc2)o1 ZINC001593101416 993734838 /nfs/dbraw/zinc/73/48/38/993734838.db2.gz FYWIFNFWXMXMLU-NSHDSACASA-N -1 0 384.367 3.566 20 50 GHGDRM C[C@H](NC(=O)NNc1cc(C(=O)[O-])ccc1Br)[C@@]12C[C@@H]1CCCC2 ZINC001593102130 993740474 /nfs/dbraw/zinc/74/04/74/993740474.db2.gz PVEVTAPSSGIHOC-QAGHZCBJSA-N -1 0 396.285 3.742 20 50 GHGDRM COc1ccc2cc([C@H](C)C(=O)NNc3cccc(C(=O)[O-])c3F)ccc2c1 ZINC001599634565 994267854 /nfs/dbraw/zinc/26/78/54/994267854.db2.gz RECYIJCWLOTNQZ-LBPRGKRZSA-N -1 0 382.391 3.933 20 50 GHGDRM COc1cc([C@@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2)cc2ccccc21 ZINC001599389158 997001056 /nfs/dbraw/zinc/00/10/56/997001056.db2.gz XYYGFDBDAKDHGS-CYBMUJFWSA-N -1 0 379.416 3.934 20 50 GHGDRM COc1cc(C(=O)[O-])cc(NC(=O)NNc2cccc(Cl)c2C)c1OC ZINC001599360467 998251950 /nfs/dbraw/zinc/25/19/50/998251950.db2.gz MFGCQPYUZREAIB-UHFFFAOYSA-N -1 0 379.800 3.512 20 50 GHGDRM COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2C(=O)[O-])c1C ZINC001599158617 998417642 /nfs/dbraw/zinc/41/76/42/998417642.db2.gz COGONPZQEVVKLV-TUTDSIAXSA-N -1 0 399.422 3.695 20 50 GHGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2C(=O)[O-])c1C ZINC001599158619 998418694 /nfs/dbraw/zinc/41/86/94/998418694.db2.gz COGONPZQEVVKLV-WJHGTXIHSA-N -1 0 399.422 3.695 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001599376741 998498454 /nfs/dbraw/zinc/49/84/54/998498454.db2.gz RSVAWMYVLLKCCU-UHFFFAOYSA-N -1 0 397.406 3.697 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc(SC(F)(F)F)cc1 ZINC001599377060 998504450 /nfs/dbraw/zinc/50/44/50/998504450.db2.gz ZGEPNUYNIJQRBV-UHFFFAOYSA-N -1 0 386.351 3.762 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC001599377155 998505688 /nfs/dbraw/zinc/50/56/88/998505688.db2.gz MOTOLVTVTSONFA-CYBMUJFWSA-N -1 0 382.338 3.573 20 50 GHGDRM COc1ccc(C(=O)CCCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001599478398 998569482 /nfs/dbraw/zinc/56/94/82/998569482.db2.gz XOYWPKVYZQKBHM-UHFFFAOYSA-N -1 0 390.823 3.543 20 50 GHGDRM C[C@@H]1CC[C@](NC(=O)[C@H](Br)C(C)(C)C)(C(=O)[O-])c2ccccc21 ZINC001594324290 999250793 /nfs/dbraw/zinc/25/07/93/999250793.db2.gz WPMINRWLCVVACQ-CDNVCLAFSA-N -1 0 382.298 3.790 20 50 GHGDRM O=C([O-])[C@H](NNC(=O)c1cc2c(s1)CCCCCC2)c1ccccc1F ZINC000833149264 600733537 /nfs/dbraw/zinc/73/35/37/600733537.db2.gz KVUJRQLFIATZEI-QGZVFWFLSA-N -1 0 376.453 3.607 20 50 GHGDRM O=C([O-])[C@@H](NNC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000833116991 600733636 /nfs/dbraw/zinc/73/36/36/600733636.db2.gz LQNZDTZJBRSGGW-HNNXBMFYSA-N -1 0 387.650 3.636 20 50 GHGDRM CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000827427642 603179944 /nfs/dbraw/zinc/17/99/44/603179944.db2.gz MSFMZJPNYAHQNI-MTOJCTJASA-N -1 0 379.416 3.960 20 50 GHGDRM COc1ccc2sc(C(=O)NNc3ccc(C(=O)[O-])cc3OC)c(C)c2c1 ZINC000833734991 604648587 /nfs/dbraw/zinc/64/85/87/604648587.db2.gz PBECRSFALZTFLH-UHFFFAOYSA-N -1 0 386.429 3.682 20 50 GHGDRM O=C([O-])N1CCCc2cccc(C=NNC(=O)c3ccc(Cl)cc3F)c21 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CC(C)Oc1c(NC(=O)NNc2ccc(C(F)(F)F)cn2)cccc1C(=O)[O-] ZINC001591747705 975797762 /nfs/dbraw/zinc/79/77/62/975797762.db2.gz XAEIHFIYGHYNPN-UHFFFAOYSA-N -1 0 398.341 3.734 20 50 GHGDRM CC(C)c1nc(C#N)c(NNC(=O)c2ccccc2-c2ccccc2C(=O)[O-])o1 ZINC001592008770 976681670 /nfs/dbraw/zinc/68/16/70/976681670.db2.gz SZFOOXATUJACMV-UHFFFAOYSA-N -1 0 390.399 3.792 20 50 GHGDRM CC(C)n1ncc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)c1-c1ccccc1 ZINC001592153077 977024586 /nfs/dbraw/zinc/02/45/86/977024586.db2.gz BKIQXDZCBOECOU-UHFFFAOYSA-N -1 0 382.395 3.725 20 50 GHGDRM CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000737194371 978386768 /nfs/dbraw/zinc/38/67/68/978386768.db2.gz CTFDWIFWJGEXPK-YTBHAWNYSA-N -1 0 376.412 3.597 20 50 GHGDRM CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000737194360 978386838 /nfs/dbraw/zinc/38/68/38/978386838.db2.gz CHFWPQDPFVDKMB-YVLHZVERSA-N -1 0 396.468 3.949 20 50 GHGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(F)c2C(=O)[O-])c1C ZINC000737747487 978441392 /nfs/dbraw/zinc/44/13/92/978441392.db2.gz NYCQCQUNEAZASN-BPKVKKHESA-N -1 0 399.422 3.695 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c(C)n1CCC(C)C ZINC000738378288 978528043 /nfs/dbraw/zinc/52/80/43/978528043.db2.gz DDHSYFNIFCOJRX-RQRMZWKBSA-N -1 0 397.519 3.771 20 50 GHGDRM O=C([O-])Cn1cc(C=NNC(=O)Cc2cccc3ccccc32)c2ccccc21 ZINC000799874461 978843516 /nfs/dbraw/zinc/84/35/16/978843516.db2.gz LSWKWIRODUNSQR-UHFFFAOYSA-N -1 0 385.423 3.572 20 50 GHGDRM CCC(CC)(CNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000818627401 978921320 /nfs/dbraw/zinc/92/13/20/978921320.db2.gz UQFRIJPEJJZLEG-UHFFFAOYSA-N -1 0 398.463 3.580 20 50 GHGDRM CC[C@@H]1CCC[C@H](NC(=O)NNc2cc(C(=O)[O-])ccc2Br)C1 ZINC001595432805 981059686 /nfs/dbraw/zinc/05/96/86/981059686.db2.gz YQHJDJNTVPCRNA-PWSUYJOCSA-N -1 0 384.274 3.742 20 50 GHGDRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H](Br)C(C)(C)C)nc1C(=O)[O-] ZINC000910720012 982082286 /nfs/dbraw/zinc/08/22/86/982082286.db2.gz FLWADVKDWAWHEO-GXSJLCMTSA-N -1 0 389.315 3.623 20 50 GHGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)c1C ZINC001595801739 982615242 /nfs/dbraw/zinc/61/52/42/982615242.db2.gz AQBYNCIRWQWXLI-QGOAFFKASA-N -1 0 383.492 3.810 20 50 GHGDRM CCCCn1c(C)cc(C=C(C#N)C(=O)Nc2[nH]c(C(=O)[O-])cc2C(C)=O)c1C ZINC001595803973 982627319 /nfs/dbraw/zinc/62/73/19/982627319.db2.gz XUJMRDVYXFYUGX-CXUHLZMHSA-N -1 0 396.447 3.680 20 50 GHGDRM CCCOc1ccc(C(=O)NNc2ccc(CC(=O)[O-])cc2)c(OC(C)C)c1 ZINC001595954294 983136327 /nfs/dbraw/zinc/13/63/27/983136327.db2.gz CERZFBNPJLNSGZ-UHFFFAOYSA-N -1 0 386.448 3.647 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])c1C ZINC001596107622 983432176 /nfs/dbraw/zinc/43/21/76/983432176.db2.gz GVSYSYMVPNMUFB-DGKKPVBHSA-N -1 0 391.471 3.773 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC(=O)[O-])Cc2ccccc2)c1C ZINC001596107964 983433008 /nfs/dbraw/zinc/43/30/08/983433008.db2.gz MQBHWTNTYHCUNJ-UDWIEESQSA-N -1 0 379.460 3.535 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC2(CC(=O)[O-])CCCCC2)c1C ZINC001596108643 983434982 /nfs/dbraw/zinc/43/49/82/983434982.db2.gz INVDHKJWBRZYHR-UNOMPAQXSA-N -1 0 385.508 3.963 20 50 GHGDRM CC(=NNC(=O)COc1ccccc1-c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001589012338 984991571 /nfs/dbraw/zinc/99/15/71/984991571.db2.gz HZOZRYWMQVRVIN-UHFFFAOYSA-N -1 0 378.384 3.564 20 50 GHGDRM CC(=O)c1ccc(-c2ccc(C(=O)NNc3cccc(C(=O)[O-])c3F)o2)cc1 ZINC001589270439 985961241 /nfs/dbraw/zinc/96/12/41/985961241.db2.gz MPNSFOZZDHORMM-UHFFFAOYSA-N -1 0 382.347 3.743 20 50 GHGDRM CC(C)(C)[C@H](Br)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001589698417 987781068 /nfs/dbraw/zinc/78/10/68/987781068.db2.gz BGTZTIXLXCOPTI-DGCLKSJQSA-N -1 0 376.678 3.782 20 50 GHGDRM CCc1oc(/C=C(/C#N)C(=O)Nc2nc3ccccc3nc2Cl)cc1C(=O)[O-] ZINC001597791216 989319661 /nfs/dbraw/zinc/31/96/61/989319661.db2.gz KFTFQOOROMVIMN-YFHOEESVSA-N -1 0 396.790 3.682 20 50 GHGDRM CN(NC(=O)OCc1ccccc1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598540962 992899763 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GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC001599377427 998509964 /nfs/dbraw/zinc/50/99/64/998509964.db2.gz YQKAKMFAJVOUFX-GFCCVEGCSA-N -1 0 376.840 3.759 20 50 GHGDRM COc1ccc(-c2cncc(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c2)cc1 ZINC000832124752 601862889 /nfs/dbraw/zinc/86/28/89/601862889.db2.gz YSKUSAZQCOCPIH-UHFFFAOYSA-N -1 0 394.339 3.583 20 50 GHGDRM O=C([O-])Nc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c(Cl)c1 ZINC000832839049 604103606 /nfs/dbraw/zinc/10/36/06/604103606.db2.gz PQHQKDCWCNELRW-UHFFFAOYSA-N -1 0 383.795 3.644 20 50 GHGDRM N#Cc1ccc(NNC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1C(F)(F)F ZINC000831137308 604226568 /nfs/dbraw/zinc/22/65/68/604226568.db2.gz WQOXAQXCFQMPLR-UHFFFAOYSA-N -1 0 382.273 3.563 20 50 GHGDRM O=C([O-])Nc1cc(C(=O)NN=c2nc[nH]c3ccsc32)cc(C(F)(F)F)c1 ZINC000833281481 604425505 /nfs/dbraw/zinc/42/55/05/604425505.db2.gz JQRNFLCOAYJPAL-UHFFFAOYSA-N -1 0 397.338 3.557 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1C ZINC000833653236 604581705 /nfs/dbraw/zinc/58/17/05/604581705.db2.gz WUYGWQMJICUECQ-ZDLGFXPLSA-N -1 0 391.427 3.735 20 50 GHGDRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833538459 605245655 /nfs/dbraw/zinc/24/56/55/605245655.db2.gz GAEYQFUUCILVQF-MRVPVSSYSA-N -1 0 387.194 3.741 20 50 GHGDRM COc1cccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)c1OC1CCCC1 ZINC000833735521 605744694 /nfs/dbraw/zinc/74/46/94/605744694.db2.gz LFVQYODIVZMIIP-UHFFFAOYSA-N -1 0 399.447 3.541 20 50 GHGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000833520504 605745708 /nfs/dbraw/zinc/74/57/08/605745708.db2.gz DLURLSOEQXTGJD-AWEZNQCLSA-N -1 0 376.416 3.834 20 50 GHGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000833522055 605746141 /nfs/dbraw/zinc/74/61/41/605746141.db2.gz WOMARTAAGWRSMP-CQSZACIVSA-N -1 0 376.416 3.834 20 50 GHGDRM O=C([O-])C1(C(=O)NNc2ccc(Cl)cc2Br)CCCCC1 ZINC001594867444 954319960 /nfs/dbraw/zinc/31/99/60/954319960.db2.gz NJXKVCOOHJGERS-UHFFFAOYSA-N -1 0 375.650 3.581 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])C(C)C)c(C)n1-c1ccc(C)cc1 ZINC001574349994 960979630 /nfs/dbraw/zinc/97/96/30/960979630.db2.gz DMGIRCHUCYZVGD-ODLFYWEKSA-N -1 0 379.460 3.631 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N(CC(=O)[O-])CC2CC2)c(C)n1-c1ccc(C)cc1 ZINC001605240168 972997052 /nfs/dbraw/zinc/99/70/52/972997052.db2.gz DTTNBGUAKIWNIG-RGVLZGJSSA-N -1 0 391.471 3.633 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)NCC2(C(=O)[O-])CCC2)c(C)n1-c1ccc(C)cc1 ZINC001605240493 972998827 /nfs/dbraw/zinc/99/88/27/972998827.db2.gz NLJCEBGBXGDQGZ-XDHOZWIPSA-N -1 0 391.471 3.681 20 50 GHGDRM CC(C)c1c(Cl)ncnc1NNC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001591923374 976400975 /nfs/dbraw/zinc/40/09/75/976400975.db2.gz NOVBDICCIVURIU-SNVBAGLBSA-N -1 0 377.832 3.590 20 50 GHGDRM N#C/C(=C/c1ccc(OCC(=O)[O-])cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000728787983 978294180 /nfs/dbraw/zinc/29/41/80/978294180.db2.gz ZCHOMLOFTVDWDX-ZROIWOOFSA-N -1 0 375.302 3.959 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)CC(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000738378382 978528051 /nfs/dbraw/zinc/52/80/51/978528051.db2.gz FBNUMLOODQVALC-YBEGLDIGSA-N -1 0 383.423 3.510 20 50 GHGDRM Cc1nc(-c2ccccc2)ccc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738831521 978604422 /nfs/dbraw/zinc/60/44/22/978604422.db2.gz HUFXBDRKWKAKKE-UHFFFAOYSA-N -1 0 378.340 3.883 20 50 GHGDRM C[C@H](C(=O)[O-])[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)c1ccccc1 ZINC000776612723 978758632 /nfs/dbraw/zinc/75/86/32/978758632.db2.gz FFJCGOXKDSCTFR-KSSFIOAISA-N -1 0 395.908 3.598 20 50 GHGDRM C[C@H](Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1)C(=O)[O-] ZINC000794688378 978815665 /nfs/dbraw/zinc/81/56/65/978815665.db2.gz YWEYPTKOUNFFQM-ZWSXMNCCSA-N -1 0 388.782 3.877 20 50 GHGDRM CCC(CC)(COCc1ccccc1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595093449 979391129 /nfs/dbraw/zinc/39/11/29/979391129.db2.gz SMIXNLWSXMQJBQ-UHFFFAOYSA-N -1 0 388.439 3.990 20 50 GHGDRM C[C@@H](Cc1ccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1)C(=O)[O-] ZINC001592871568 979724018 /nfs/dbraw/zinc/72/40/18/979724018.db2.gz FHPPVEIZHLCPOZ-NSHDSACASA-N -1 0 397.353 3.997 20 50 GHGDRM CCC[C@@](C)(NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC001595546058 981407038 /nfs/dbraw/zinc/40/70/38/981407038.db2.gz FJIOMZRTWCAKFS-TWMGVTGTSA-N -1 0 397.450 3.900 20 50 GHGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCC2(CC(=O)[O-])CCCC2)c1C ZINC001595803042 982622564 /nfs/dbraw/zinc/62/25/64/982622564.db2.gz NKKKSAYZIPTLLS-XDHOZWIPSA-N -1 0 385.508 3.963 20 50 GHGDRM O=C([O-])c1ccc(C=NNC(=O)COc2ccccc2Cc2ccccc2)cc1 ZINC000916304727 982673349 /nfs/dbraw/zinc/67/33/49/982673349.db2.gz MHPUNENDNWYVME-UHFFFAOYSA-N -1 0 388.423 3.505 20 50 GHGDRM CCC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C)C(=O)[O-] ZINC001596011372 983273422 /nfs/dbraw/zinc/27/34/22/983273422.db2.gz UEESHWRIDVDADL-GQEMFKIVSA-N -1 0 379.460 3.679 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])c1C ZINC001596107625 983432037 /nfs/dbraw/zinc/43/20/37/983432037.db2.gz 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CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001590572640 990209821 /nfs/dbraw/zinc/20/98/21/990209821.db2.gz JADBAIUWJNICSN-UHFFFAOYSA-N -1 0 392.459 3.554 20 50 GHGDRM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001591045646 991423625 /nfs/dbraw/zinc/42/36/25/991423625.db2.gz MWDQYRJQEYMPKD-INIZCTEOSA-N -1 0 380.803 3.724 20 50 GHGDRM CC(C)C1CCC(NC(=O)NNc2cc(C(=O)[O-])ccc2Br)CC1 ZINC001591081204 991590758 /nfs/dbraw/zinc/59/07/58/991590758.db2.gz HRNPLPGKJHYWCG-UHFFFAOYSA-N -1 0 398.301 3.988 20 50 GHGDRM CC(C)CC(=O)Nc1ccc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001591111181 991766165 /nfs/dbraw/zinc/76/61/65/991766165.db2.gz OETGDUCZZINZPP-UHFFFAOYSA-N -1 0 388.399 3.657 20 50 GHGDRM CN(NC(=O)OCc1ccccc1)[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598541664 992908715 /nfs/dbraw/zinc/90/87/15/992908715.db2.gz PWUZHXQKKSZZPO-HNNXBMFYSA-N -1 0 382.338 3.604 20 50 GHGDRM CC1(C(=O)NNc2cc(C(=O)[O-])ccc2Br)CCC(F)(F)CC1 ZINC001593755160 996402013 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399.422 3.695 20 50 GHGDRM COc1ccc(Br)c(NNC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001599475782 998529620 /nfs/dbraw/zinc/52/96/20/998529620.db2.gz INKBWNRZSIJCJD-UHFFFAOYSA-N -1 0 394.225 3.613 20 50 GHGDRM C[C@@H]1CC(CNC(=O)NNc2cc(C(=O)[O-])ccc2Br)C[C@@H](C)C1 ZINC001594223563 998862093 /nfs/dbraw/zinc/86/20/93/998862093.db2.gz XQSVIVGZGBTPRP-QWRGUYRKSA-N -1 0 398.301 3.846 20 50 GHGDRM C[C@H]1CC(CNC(=O)NNc2cc(C(=O)[O-])ccc2Br)C[C@H](C)C1 ZINC001594223562 998862343 /nfs/dbraw/zinc/86/23/43/998862343.db2.gz XQSVIVGZGBTPRP-GHMZBOCLSA-N -1 0 398.301 3.846 20 50 GHGDRM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001594442533 999629376 /nfs/dbraw/zinc/62/93/76/999629376.db2.gz UENULVDVMPIMIX-QGHHPUGFSA-N -1 0 375.375 3.613 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1C ZINC000829579711 601073785 /nfs/dbraw/zinc/07/37/85/601073785.db2.gz KUGMDNPONPSDDL-QMDZLVRISA-N -1 0 384.407 3.930 20 50 GHGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1C 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O=C([O-])c1cccnc1NNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC001595261528 949670227 /nfs/dbraw/zinc/67/02/27/949670227.db2.gz DAOIZIBPPZOSIB-UHFFFAOYSA-N -1 0 380.231 3.652 20 50 GHGDRM CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC001593615073 953496468 /nfs/dbraw/zinc/49/64/68/953496468.db2.gz OYWMTBRFQKZCTN-BXBOZWQASA-N -1 0 385.851 3.634 20 50 GHGDRM O=C([O-])c1ccc(NC(=O)NNc2cc(Br)ccc2F)c(F)c1 ZINC001594780464 953624966 /nfs/dbraw/zinc/62/49/66/953624966.db2.gz QXDGEFSURCKCOI-UHFFFAOYSA-N -1 0 386.152 3.574 20 50 GHGDRM O=C([O-])c1cccnc1NNC(=O)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001594781393 953631895 /nfs/dbraw/zinc/63/18/95/953631895.db2.gz MTNWZIDJTBRRAM-UHFFFAOYSA-N -1 0 385.326 3.607 20 50 GHGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1cc(Cl)ccc1Br ZINC001589205832 956664773 /nfs/dbraw/zinc/66/47/73/956664773.db2.gz NLZZQSPYKOQHJB-UHFFFAOYSA-N -1 0 389.677 3.683 20 50 GHGDRM Cc1cc(C=C(C#N)C(=O)Nc2n[nH]cc2C(=O)[O-])c(C)n1C1CCCCC1 ZINC001594300904 957907561 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ZINC001595804010 982627130 /nfs/dbraw/zinc/62/71/30/982627130.db2.gz YRNVWSJQKPJAHB-LFIBNONCSA-N -1 0 380.448 3.731 20 50 GHGDRM O=C([O-])c1ccccc1C=NNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000916284834 982673286 /nfs/dbraw/zinc/67/32/86/982673286.db2.gz WMTMVLHNOICLCC-UHFFFAOYSA-N -1 0 396.406 3.759 20 50 GHGDRM CCCOc1c(Cl)cc(C(=O)NNc2cccc(C(=O)[O-])c2F)cc1OC ZINC001595950754 983122570 /nfs/dbraw/zinc/12/25/70/983122570.db2.gz XVBWWFKTBIJJJI-UHFFFAOYSA-N -1 0 396.802 3.732 20 50 GHGDRM C/C(=C\C(=O)NNc1cc(C(=O)[O-])ccc1Br)c1cccs1 ZINC001588942917 984638771 /nfs/dbraw/zinc/63/87/71/984638771.db2.gz SMGYRXNXZKOFHR-VQHVLOKHSA-N -1 0 381.251 3.755 20 50 GHGDRM CC(=O)c1ccc(-c2ccc(C(=O)NNc3cccc(C(=O)[O-])c3C)o2)cc1 ZINC001589270161 985958018 /nfs/dbraw/zinc/95/80/18/985958018.db2.gz BIPJXEHTURKOCA-UHFFFAOYSA-N -1 0 378.384 3.913 20 50 GHGDRM Cc1c(Br)ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1F ZINC001599971241 986009901 /nfs/dbraw/zinc/00/99/01/986009901.db2.gz MMBUAMIJZPHNMA-UHFFFAOYSA-N -1 0 382.189 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GHGDRM O=C([O-])C1CCC(NC(=O)NNc2ccc(OCc3ccccc3)cc2)CC1 ZINC001594780571 953627479 /nfs/dbraw/zinc/62/74/79/953627479.db2.gz XWGNRVIBWVMCDL-UHFFFAOYSA-N -1 0 383.448 3.535 20 50 GHGDRM Cc1ccc(Sc2ncccc2C(=O)NNc2ncccc2C(=O)[O-])cc1C ZINC001594378265 958610216 /nfs/dbraw/zinc/61/02/16/958610216.db2.gz UTFZFFUHXDNLGS-UHFFFAOYSA-N -1 0 394.456 3.700 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N(CC(=O)[O-])CC2CC2)c(C)n1-c1ccccc1C ZINC001594413561 958972809 /nfs/dbraw/zinc/97/28/09/958972809.db2.gz BYRCLWADVDFHMV-RGVLZGJSSA-N -1 0 391.471 3.633 20 50 GHGDRM CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)C(=O)[O-] ZINC001573942809 961619427 /nfs/dbraw/zinc/61/94/27/961619427.db2.gz OGLHGISNQSWHTA-DWCFMXGVSA-N -1 0 385.851 3.634 20 50 GHGDRM COc1ccc(-c2cc(C(=O)NNc3ncccc3C(=O)[O-])sc2C)cc1 ZINC001574194773 962866470 /nfs/dbraw/zinc/86/64/70/962866470.db2.gz HADLBVDVJYMPPC-UHFFFAOYSA-N -1 0 383.429 3.582 20 50 GHGDRM Cc1cccc(Br)c1NNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001605320208 973153999 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GHGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@@H](CC(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000832881952 601527574 /nfs/dbraw/zinc/52/75/74/601527574.db2.gz XKXYAQVYAZKTDT-OLROSQPISA-N -1 0 383.492 3.887 20 50 GHGDRM O=C([O-])[C@@H](NNC(=O)c1cc2ccccc2o1)c1cc(Cl)cc(Cl)c1 ZINC000833148907 601979011 /nfs/dbraw/zinc/97/90/11/601979011.db2.gz BANBPMDSIMOQON-HNNXBMFYSA-N -1 0 379.199 3.800 20 50 GHGDRM N#C/C(=C/c1cccc2c1N(C(=O)[O-])CC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000831064328 603812114 /nfs/dbraw/zinc/81/21/14/603812114.db2.gz FPYZKBOIBQRFHS-YBEGLDIGSA-N -1 0 388.832 3.719 20 50 GHGDRM CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827593820 604030944 /nfs/dbraw/zinc/03/09/44/604030944.db2.gz FMTHXPFBWGDTEX-UHFFFAOYSA-N -1 0 386.477 3.587 20 50 GHGDRM CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)c1C ZINC000833652025 604695129 /nfs/dbraw/zinc/69/51/29/604695129.db2.gz BMMRJMZKGALGAV-YBFXNURJSA-N -1 0 394.427 3.546 20 50 GHGDRM O=C([O-])c1cnc(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)cn1 ZINC001595268618 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Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(CC(=O)[O-])c2)c(C)n1CC(C)C ZINC000738230925 978504560 /nfs/dbraw/zinc/50/45/60/978504560.db2.gz PIXNFFYJCCZMFH-ODLFYWEKSA-N -1 0 379.460 3.934 20 50 GHGDRM O=C([O-])c1ccc(COc2ccc(C=NNC(=O)Cc3ccsc3)cc2)cc1 ZINC000739348663 978631454 /nfs/dbraw/zinc/63/14/54/978631454.db2.gz BXACNSCNBJFLMA-UHFFFAOYSA-N -1 0 394.452 3.718 20 50 GHGDRM O=C([O-])c1cc(OC(=O)Cc2csc(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000739352358 978631947 /nfs/dbraw/zinc/63/19/47/978631947.db2.gz ZIHXTZIXAGLVRC-UHFFFAOYSA-N -1 0 384.369 3.565 20 50 GHGDRM O=C([O-])Nc1cccc(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c1 ZINC000740033251 978663760 /nfs/dbraw/zinc/66/37/60/978663760.db2.gz ILCRKTFQHKJLCB-UHFFFAOYSA-N -1 0 387.461 3.572 20 50 GHGDRM O=C([O-])c1cc(OC(=O)c2c3c(nc4ccccc42)CCC3)ccc1[N+](=O)[O-] ZINC000740088850 978668183 /nfs/dbraw/zinc/66/81/83/978668183.db2.gz YZNJNHHLUPLDNL-UHFFFAOYSA-N -1 0 378.340 3.549 20 50 GHGDRM C[C@@H](Oc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000794696401 978817759 /nfs/dbraw/zinc/81/77/59/978817759.db2.gz UZBUZVOFNRPYPK-HJPCULJESA-N -1 0 391.832 3.530 20 50 GHGDRM CC[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1C)Oc1cccc(Cl)c1 ZINC001595149338 979634177 /nfs/dbraw/zinc/63/41/77/979634177.db2.gz CNBOVPOWPPWYNK-CQSZACIVSA-N -1 0 391.855 3.830 20 50 GHGDRM CCCC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC001595634124 981882994 /nfs/dbraw/zinc/88/29/94/981882994.db2.gz IFRUOCSVCWCWLL-KEWOFRHOSA-N -1 0 397.450 3.900 20 50 GHGDRM CCCc1ccc(CCCC(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)cc1 ZINC001596062824 983372765 /nfs/dbraw/zinc/37/27/65/983372765.db2.gz KFZXIPKGVNBWCV-UHFFFAOYSA-N -1 0 389.521 3.555 20 50 GHGDRM CCOc1cc(/C=C(/C#N)c2ccncn2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597032777 986457765 /nfs/dbraw/zinc/45/77/65/986457765.db2.gz RQXWADCYBMKUMY-DHDCSXOGSA-N -1 0 391.383 3.810 20 50 GHGDRM CSc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)cc1C(=O)[O-] ZINC001599818864 988476987 /nfs/dbraw/zinc/47/69/87/988476987.db2.gz DKXZRAOBDWFDBG-UHFFFAOYSA-N -1 0 386.355 3.669 20 50 GHGDRM CSc1ccc(O[C@@H](C)C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001599820436 988504297 /nfs/dbraw/zinc/50/42/97/988504297.db2.gz ZXQOWIFXCFOZGZ-JTQLQIEISA-N -1 0 380.853 3.671 20 50 GHGDRM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001591046013 991431143 /nfs/dbraw/zinc/43/11/43/991431143.db2.gz YTTFBFLETDFFPM-MRXNPFEDSA-N -1 0 380.803 3.724 20 50 GHGDRM COc1cccc(C(=O)/C(C#N)=C\c2ccc(C(=O)[O-])cc2Br)c1 ZINC001599641105 994359993 /nfs/dbraw/zinc/35/99/93/994359993.db2.gz RKKYBFUYZYRICI-AUWJEWJLSA-N -1 0 386.201 3.946 20 50 GHGDRM C[C@]1(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)C[C@H]1Br ZINC001593761685 996423680 /nfs/dbraw/zinc/42/36/80/996423680.db2.gz CXSGVQRJZNRZAO-WBMJQRKESA-N -1 0 395.278 3.544 20 50 GHGDRM CC1(C)C2CCC1(C(=O)NNc1cc(C(=O)[O-])ccc1Br)CC2 ZINC001593842129 996602380 /nfs/dbraw/zinc/60/23/80/996602380.db2.gz LZWMIBLKSBICDN-UHFFFAOYSA-N -1 0 381.270 3.807 20 50 GHGDRM COc1ccc(C2(C(=O)NNc3cccc(C(=O)[O-])c3C)CCCC2)cc1OC ZINC001599537208 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FWSKUCDOUDAZQC-UHFFFAOYSA-N -1 0 389.839 3.780 20 50 GHGDRM CC(C)(C)c1ncc(/C=C\C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000833450834 605245550 /nfs/dbraw/zinc/24/55/50/605245550.db2.gz LMJWOMMGWVJVPZ-ALCCZGGFSA-N -1 0 379.869 3.949 20 50 GHGDRM CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000827570761 605590243 /nfs/dbraw/zinc/59/02/43/605590243.db2.gz VCHHICXFSGOYBN-AWEZNQCLSA-N -1 0 393.534 3.809 20 50 GHGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000833521511 605740022 /nfs/dbraw/zinc/74/00/22/605740022.db2.gz OIVLKBJTKABWBR-SNVBAGLBSA-N -1 0 383.326 3.671 20 50 GHGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000833520850 605741235 /nfs/dbraw/zinc/74/12/35/605741235.db2.gz IIZOOYZFUSECQS-LLVKDONJSA-N -1 0 397.353 3.713 20 50 GHGDRM CCc1cc(Br)ccc1NNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001593628777 953576110 /nfs/dbraw/zinc/57/61/10/953576110.db2.gz SUHNXNYZBGQVTA-UHFFFAOYSA-N -1 0 392.253 3.536 20 50 GHGDRM O=C([O-])c1ccc(NC(=O)NNc2ccc(F)cc2Br)c(F)c1 ZINC001594780518 953626292 /nfs/dbraw/zinc/62/62/92/953626292.db2.gz UPLQXHCVVGGVDT-UHFFFAOYSA-N -1 0 386.152 3.574 20 50 GHGDRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C ZINC001589429687 954644052 /nfs/dbraw/zinc/64/40/52/954644052.db2.gz IVTNNFHANFNZSC-GQEMFKIVSA-N -1 0 379.460 3.631 20 50 GHGDRM O=C([O-])c1ccc(Br)c(NC(=O)NNc2c(F)cccc2F)c1 ZINC001574579172 962097906 /nfs/dbraw/zinc/09/79/06/962097906.db2.gz XPPLOFATNYHRPW-UHFFFAOYSA-N -1 0 386.152 3.574 20 50 GHGDRM Cc1cc(O[C@@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1Cl ZINC000738465618 978542946 /nfs/dbraw/zinc/54/29/46/978542946.db2.gz VHUFMXXHNOFXNS-JTQLQIEISA-N -1 0 379.752 3.628 20 50 GHGDRM C[C@H](Oc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC000794880413 978825603 /nfs/dbraw/zinc/82/56/03/978825603.db2.gz RIHQHYCQMVHDNP-JTQLQIEISA-N -1 0 381.215 3.609 20 50 GHGDRM C[C@@](NC(=O)CCCC[C@H]1CCSS1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593015901 980264188 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50 GHGDRM C[C@H](Sc1nc2ccccc2s1)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001593679095 996097478 /nfs/dbraw/zinc/09/74/78/996097478.db2.gz DGDQAIMEFGCDBS-VIFPVBQESA-N -1 0 391.449 3.758 20 50 GHGDRM COc1ccc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1OC1CCCC1 ZINC001599483588 996807361 /nfs/dbraw/zinc/80/73/61/996807361.db2.gz FDVJQJUDOGHYTK-UHFFFAOYSA-N -1 0 388.395 3.611 20 50 GHGDRM COc1ccc(CNC(=O)NNc2cc(Cl)cc(Cl)c2)cc1C(=O)[O-] ZINC001599566776 998300116 /nfs/dbraw/zinc/30/01/16/998300116.db2.gz HGZOFMJOAQWHIZ-UHFFFAOYSA-N -1 0 384.219 3.527 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)NNc1ccc(Cl)cc1Cl ZINC001599365314 998326193 /nfs/dbraw/zinc/32/61/93/998326193.db2.gz HBDFKJKNRNBZPM-UHFFFAOYSA-N -1 0 398.246 3.569 20 50 GHGDRM CCCc1c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)[nH]c(C)c1C(=O)[O-] ZINC000829557234 601188193 /nfs/dbraw/zinc/18/81/93/601188193.db2.gz ZGUKCIFVKLNZLY-UHFFFAOYSA-N -1 0 394.353 3.621 20 50 GHGDRM O=C([O-])[C@H](NNC(=O)c1c[nH]c2ccccc12)c1cc(Cl)cc(Cl)c1 ZINC000833149601 601971682 /nfs/dbraw/zinc/97/16/82/601971682.db2.gz WHIJHAUYICBPLX-OAHLLOKOSA-N -1 0 378.215 3.535 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000832881912 602009948 /nfs/dbraw/zinc/00/99/48/602009948.db2.gz WKTPRIQRMISLHJ-OFFMQOAPSA-N -1 0 383.492 3.840 20 50 GHGDRM C[C@H](C(=O)NNc1ccccc1C(F)(F)F)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702674 603285187 /nfs/dbraw/zinc/28/51/87/603285187.db2.gz LOPIXFQDFFQBSP-XHDPSFHLSA-N -1 0 381.354 3.794 20 50 GHGDRM CCOc1ccc(Nc2ncccc2C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC000833662640 605282593 /nfs/dbraw/zinc/28/25/93/605282593.db2.gz IZVXPYIOWHKQCW-UHFFFAOYSA-N -1 0 392.415 3.679 20 50 GHGDRM COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cc1 ZINC000833731833 605492945 /nfs/dbraw/zinc/49/29/45/605492945.db2.gz DQJATLFMFUXOIR-QJWNTBNXSA-N -1 0 389.766 3.764 20 50 GHGDRM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NNc2ccccc2C(=O)[O-])c1 ZINC000833473454 605721310 /nfs/dbraw/zinc/72/13/10/605721310.db2.gz KXQVQZKJLFRPFA-UHFFFAOYSA-N -1 0 389.839 3.780 20 50 GHGDRM C[C@@H](Sc1ccc(Br)cc1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833546758 605733344 /nfs/dbraw/zinc/73/33/44/605733344.db2.gz VIOIKGJHEKGGTJ-SNVBAGLBSA-N -1 0 395.278 3.771 20 50 GHGDRM CC[C@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C ZINC001589429713 954643624 /nfs/dbraw/zinc/64/36/24/954643624.db2.gz IVTNNFHANFNZSC-TVNWYLLRSA-N -1 0 379.460 3.631 20 50 GHGDRM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1 ZINC000819271242 955441119 /nfs/dbraw/zinc/44/11/19/955441119.db2.gz VSZKVQWEMQXPFF-PELKAZGASA-N -1 0 382.791 3.844 20 50 GHGDRM C[C@H](NC(=O)NN=c1[nH]c2ccc(Cl)cc2s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603232843 972358860 /nfs/dbraw/zinc/35/88/60/972358860.db2.gz ZYTBTXBZEJYKKB-INTQDDNPSA-N -1 0 396.900 3.711 20 50 GHGDRM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NNc1ncccc1C(=O)[O-] ZINC001594444497 959318341 /nfs/dbraw/zinc/31/83/41/959318341.db2.gz ZYFIAYSGJHTODC-UHFFFAOYSA-N -1 0 394.865 3.684 20 50 GHGDRM CC(C)Oc1ccccc1C(F)(F)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001591801553 976016775 /nfs/dbraw/zinc/01/67/75/976016775.db2.gz PIRRRGAHYJDRJR-UHFFFAOYSA-N -1 0 382.338 3.546 20 50 GHGDRM CC(C)c1nn(-c2ccccc2)cc1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592043432 976775213 /nfs/dbraw/zinc/77/52/13/976775213.db2.gz FVRGRCIGYCZIBZ-UHFFFAOYSA-N -1 0 382.395 3.590 20 50 GHGDRM C[C@@H](CC=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)C(=O)[O-] ZINC001592471097 978228937 /nfs/dbraw/zinc/22/89/37/978228937.db2.gz PSKXVCFYISZRGZ-ZDUSSCGKSA-N -1 0 396.472 3.682 20 50 GHGDRM COC(=O)c1cc(NC(=O)CCCC[C@H]2CCSS2)cc(C(=O)[O-])c1 ZINC000737661008 978427525 /nfs/dbraw/zinc/42/75/25/978427525.db2.gz PIIJHXOFIIVYTH-AWEZNQCLSA-N -1 0 383.491 3.824 20 50 GHGDRM O=C([O-])[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1cc(F)ccc1F ZINC000739237117 978623094 /nfs/dbraw/zinc/62/30/94/978623094.db2.gz YYRRQVNOWTWZBW-ABAIWWIYSA-N -1 0 375.462 3.921 20 50 GHGDRM O=C([O-])c1cc(OC(=O)c2cccc(Oc3nccs3)c2)ccc1[N+](=O)[O-] ZINC000740307410 978674907 /nfs/dbraw/zinc/67/49/07/978674907.db2.gz MPTBLBAMZCCINX-UHFFFAOYSA-N -1 0 386.341 3.761 20 50 GHGDRM COc1cc(C(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)ccc1OCCC(C)C ZINC000814755582 978881524 /nfs/dbraw/zinc/88/15/24/978881524.db2.gz GLMRJVCMJGORDQ-GJZGRUSLSA-N -1 0 390.480 3.727 20 50 GHGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCc2ccccc2C(=O)[O-])c1C ZINC001595802118 982616835 /nfs/dbraw/zinc/61/68/35/982616835.db2.gz DKTPLEGCXDBTHJ-ZHZULCJRSA-N -1 0 393.487 3.869 20 50 GHGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2C(=O)[O-])c1C ZINC001595802235 982617741 /nfs/dbraw/zinc/61/77/41/982617741.db2.gz FTMVOCZRPMWKQI-UNOMPAQXSA-N -1 0 379.460 3.827 20 50 GHGDRM COc1cc(C(=O)NN=Cc2ccccc2C(=O)[O-])ccc1OCCC(C)C ZINC000916348798 982675136 /nfs/dbraw/zinc/67/51/36/982675136.db2.gz MTPGIVOHYAYYPT-UHFFFAOYSA-N -1 0 384.432 3.582 20 50 GHGDRM CCCOc1c(Cl)cc(C(=O)NNc2ccc(CC(=O)[O-])cc2)cc1OC ZINC001595950417 983120872 /nfs/dbraw/zinc/12/08/72/983120872.db2.gz SJCXTGYPUBDPPU-UHFFFAOYSA-N -1 0 392.839 3.521 20 50 GHGDRM CCCOc1cccc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)c1 ZINC001595967366 983179825 /nfs/dbraw/zinc/17/98/25/983179825.db2.gz RFVYPEZVSVTLCM-UHFFFAOYSA-N -1 0 393.237 3.693 20 50 GHGDRM CCCn1c(C)cc(C=C(C#N)C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)c1C ZINC001596108945 983437136 /nfs/dbraw/zinc/43/71/36/983437136.db2.gz XUABELUQDHSVFJ-GDNBJRDFSA-N -1 0 391.431 3.635 20 50 GHGDRM C[C@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC001599894392 984734845 /nfs/dbraw/zinc/73/48/45/984734845.db2.gz QYJVJAJJAJFSNX-NSHDSACASA-N -1 0 397.353 3.600 20 50 GHGDRM Cc1c2cc(F)ccc2sc1C(=O)N(c1nc(CC(=O)[O-])cs1)N(C)C ZINC001599975206 986078733 /nfs/dbraw/zinc/07/87/33/986078733.db2.gz HVOGEJGXVGJZTF-UHFFFAOYSA-N -1 0 393.465 3.556 20 50 GHGDRM CCSc1ccccc1CCNC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001597279883 987345987 /nfs/dbraw/zinc/34/59/87/987345987.db2.gz RMVFCQAAALLLBL-UHFFFAOYSA-N -1 0 377.441 3.505 20 50 GHGDRM CC(C)(C)[Si](C)(C)O[C@H]1CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001590451325 990013000 /nfs/dbraw/zinc/01/30/00/990013000.db2.gz JBALPGFLSJJYID-LBPRGKRZSA-N -1 0 381.505 3.679 20 50 GHGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC001590635113 990323327 /nfs/dbraw/zinc/32/33/27/990323327.db2.gz NHQDIELLTFNUKX-UHFFFAOYSA-N -1 0 396.658 3.691 20 50 GHGDRM CN(C)N(C(=O)CC1CCC(C(C)(C)C)CC1)c1nc(CC(=O)[O-])cs1 ZINC001598255236 991056377 /nfs/dbraw/zinc/05/63/77/991056377.db2.gz AIZUYIVLLITTSG-UHFFFAOYSA-N -1 0 381.542 3.822 20 50 GHGDRM CN(C)N(C(=O)/C=C\c1ccc(F)c2ccccc12)c1nc(CC(=O)[O-])cs1 ZINC001598256891 991068284 /nfs/dbraw/zinc/06/82/84/991068284.db2.gz XCQVBZYSRGMETA-NTMALXAHSA-N -1 0 399.447 3.586 20 50 GHGDRM C[C@](NC(=O)NNc1ccc(CC(=O)[O-])cc1)(c1ccc(F)cc1)C(F)(F)F ZINC001593101379 993735376 /nfs/dbraw/zinc/73/53/76/993735376.db2.gz DXFDCYOTQKFRMZ-KRWDZBQOSA-N -1 0 399.344 3.557 20 50 GHGDRM C[C@@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccccc1C(F)(F)F ZINC001593102292 993743756 /nfs/dbraw/zinc/74/37/56/993743756.db2.gz REOHVMZQPLMYRW-LLVKDONJSA-N -1 0 381.354 3.720 20 50 GHGDRM COC(=O)c1cc(NC(=O)NNc2c(C)cccc2C(C)C)cc(C(=O)[O-])c1 ZINC001598947110 998077696 /nfs/dbraw/zinc/07/76/96/998077696.db2.gz XDZOXCLXWTXZJJ-UHFFFAOYSA-N -1 0 385.420 3.752 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccccc1CCc1ccccc1 ZINC001599375799 998483705 /nfs/dbraw/zinc/48/37/05/998483705.db2.gz AVMGJOIBXMTIHB-UHFFFAOYSA-N -1 0 390.439 3.936 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc(COc2ccccc2)cc1 ZINC001599375868 998485441 /nfs/dbraw/zinc/48/54/41/998485441.db2.gz DDYWWHJYPYYTSB-UHFFFAOYSA-N -1 0 392.411 3.729 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc(Cl)ccc1Br ZINC001599376097 998488638 /nfs/dbraw/zinc/48/86/38/998488638.db2.gz HVWYZPWUILHWAP-UHFFFAOYSA-N -1 0 399.628 3.566 20 50 GHGDRM Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3ccc(C(=O)[O-])[nH]3)n2)c1 ZINC000832924807 601330762 /nfs/dbraw/zinc/33/07/62/601330762.db2.gz NRDMRZUNYMOJKR-JYRVWZFOSA-N -1 0 392.440 3.999 20 50 GHGDRM O=C([O-])C[C@H](NC(=O)NNC(=O)CCC1CCCCC1)c1ccc(Cl)cc1 ZINC000833264936 601415118 /nfs/dbraw/zinc/41/51/18/601415118.db2.gz LFLPVBUSMPEOJF-INIZCTEOSA-N -1 0 395.887 3.547 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)Nc2cc(C(=O)[O-])cs2)c(C)n1C[C@@H]1CCCO1 ZINC000832881609 602179889 /nfs/dbraw/zinc/17/98/89/602179889.db2.gz SMGCRIIGJUAIKA-OLMDTSMNSA-N -1 0 399.472 3.589 20 50 GHGDRM CN(C(=O)[O-])c1ccc(OS(=O)(=O)c2ccc(CCCCl)cc2)cc1 ZINC000827921186 603145056 /nfs/dbraw/zinc/14/50/56/603145056.db2.gz HNQXGNZADPTOBC-UHFFFAOYSA-N -1 0 383.853 3.740 20 50 GHGDRM C[C@@H](C(=O)NNc1ccccc1C(F)(F)F)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823702667 603285372 /nfs/dbraw/zinc/28/53/72/603285372.db2.gz LOPIXFQDFFQBSP-ABAIWWIYSA-N -1 0 381.354 3.794 20 50 GHGDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NN=c1[nH]ccc2sccc21 ZINC000829187868 603621126 /nfs/dbraw/zinc/62/11/26/603621126.db2.gz PKADYIJPGZZSBQ-UHFFFAOYSA-N -1 0 392.824 3.805 20 50 GHGDRM CCCc1c(C(=O)NNc2ccc(F)cc2Br)[nH]c(C)c1C(=O)[O-] ZINC000833652712 604935639 /nfs/dbraw/zinc/93/56/39/604935639.db2.gz FPHVWVGGYAPTFA-UHFFFAOYSA-N -1 0 398.232 3.632 20 50 GHGDRM O=C([O-])c1ccc(NNC(=O)COc2c(Cl)cccc2Cl)cc1Cl ZINC000833764507 605246477 /nfs/dbraw/zinc/24/64/77/605246477.db2.gz KLTKTTBXZDZEQB-UHFFFAOYSA-N -1 0 389.622 3.867 20 50 GHGDRM O=C([O-])c1ccc(NNC(=O)CCc2cccc(Br)c2)cc1Cl ZINC000833764110 605248269 /nfs/dbraw/zinc/24/82/69/605248269.db2.gz WUVQMFIHDGDTGL-UHFFFAOYSA-N -1 0 397.656 3.877 20 50 GHGDRM COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cc1 ZINC000833731835 605492971 /nfs/dbraw/zinc/49/29/71/605492971.db2.gz DQJATLFMFUXOIR-XLNAKTSKSA-N -1 0 389.766 3.764 20 50 GHGDRM N#CC(=Cc1cccc(C(=O)[O-])c1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000126299522 949263896 /nfs/dbraw/zinc/26/38/96/949263896.db2.gz JBCDLLOSSVLWDU-LCYFTJDESA-N -1 0 377.425 3.626 20 50 GHGDRM CCCN(CC(=O)[O-])C(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C ZINC001589660660 949866961 /nfs/dbraw/zinc/86/69/61/949866961.db2.gz WJMBTBYRPPWLCA-UNOMPAQXSA-N -1 0 379.460 3.633 20 50 GHGDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NNc1ccc(Cl)c(Br)c1 ZINC001589205347 956662374 /nfs/dbraw/zinc/66/23/74/956662374.db2.gz IIWXUDCKRQVAII-UHFFFAOYSA-N -1 0 389.677 3.683 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(Cl)cc1 ZINC001594300119 957896168 /nfs/dbraw/zinc/89/61/68/957896168.db2.gz BZZBAUUXWVWLRP-GOOACJRRSA-N -1 0 397.862 3.634 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(C)n1-c1cccc(Cl)c1 ZINC001594300644 957904469 /nfs/dbraw/zinc/90/44/69/957904469.db2.gz SOYBGXJNPLCNIS-PQGDMBQKSA-N -1 0 397.862 3.634 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC001594301390 957916658 /nfs/dbraw/zinc/91/66/58/957916658.db2.gz YYZTUOXZYBBPOK-KDEDBAMXSA-N -1 0 395.434 3.604 20 50 GHGDRM CC(C)Oc1ccccc1C(F)(F)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001591801075 976015131 /nfs/dbraw/zinc/01/51/31/976015131.db2.gz CYLGNRDCUFACHR-UHFFFAOYSA-N -1 0 395.314 3.778 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000738378544 978529256 /nfs/dbraw/zinc/52/92/56/978529256.db2.gz IQNGZWNWUUPGCL-XLXASQRYSA-N -1 0 398.507 3.776 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c(C)n1-c1cccc(C)c1 ZINC000738681015 978586757 /nfs/dbraw/zinc/58/67/57/978586757.db2.gz NIQXFKCJHGNGEA-FUAYJARZSA-N -1 0 391.471 3.679 20 50 GHGDRM O=C([O-])c1cc(OC(=O)COc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000739323240 978628666 /nfs/dbraw/zinc/62/86/66/978628666.db2.gz CHSLHWUWGZGZGX-UHFFFAOYSA-N -1 0 386.143 3.584 20 50 GHGDRM O=C([O-])c1cc(OC(=O)c2sccc2SC(F)F)ccc1[N+](=O)[O-] ZINC000740088003 978667342 /nfs/dbraw/zinc/66/73/42/978667342.db2.gz OGWAFLXBPCJGCQ-UHFFFAOYSA-N -1 0 375.330 3.888 20 50 GHGDRM O=C([O-])c1ccc2[nH]cc(C=NNC(=O)c3c(Cl)cccc3Cl)c2c1 ZINC000740189229 978671712 /nfs/dbraw/zinc/67/17/12/978671712.db2.gz HYFSMVDHIKQDGA-UHFFFAOYSA-N -1 0 376.199 3.937 20 50 GHGDRM COc1cc(C(=O)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)ccc1OCCC(C)C ZINC000814755585 978881581 /nfs/dbraw/zinc/88/15/81/978881581.db2.gz GLMRJVCMJGORDQ-LSDHHAIUSA-N -1 0 390.480 3.727 20 50 GHGDRM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592840065 979602414 /nfs/dbraw/zinc/60/24/14/979602414.db2.gz ZVEPXOLYKNNJIM-GFCCVEGCSA-N -1 0 395.381 3.590 20 50 GHGDRM CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595220563 980049866 /nfs/dbraw/zinc/04/98/66/980049866.db2.gz ZRXSIZMZNRLJRK-CQSZACIVSA-N -1 0 398.438 3.663 20 50 GHGDRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001594996394 982900527 /nfs/dbraw/zinc/90/05/27/982900527.db2.gz KKFDGKBVFJIBDT-CYBMUJFWSA-N -1 0 389.427 3.836 20 50 GHGDRM CCOc1ccccc1-c1cccc(C(=O)NNc2ccc(C(=O)[O-])cn2)c1 ZINC001597166810 986987675 /nfs/dbraw/zinc/98/76/75/986987675.db2.gz CBTPUIRIWKNPGW-UHFFFAOYSA-N -1 0 377.400 3.602 20 50 GHGDRM CCc1cc(Br)ccc1NNC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001597424592 987747931 /nfs/dbraw/zinc/74/79/31/987747931.db2.gz RYCHLMQLSKHFHP-UHFFFAOYSA-N -1 0 396.216 3.997 20 50 GHGDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NNC(=O)c1ccc2ccccc2c1 ZINC001597460430 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GHGDRM COc1ccc(CNC(=O)NNc2cccc(Cl)c2Cl)cc1C(=O)[O-] ZINC001599567518 998311700 /nfs/dbraw/zinc/31/17/00/998311700.db2.gz VTLGWWKFMHLFNH-UHFFFAOYSA-N -1 0 384.219 3.527 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)CCSc1cccc(Cl)c1 ZINC001599376826 998499996 /nfs/dbraw/zinc/49/99/96/998499996.db2.gz CZBIAQOEOKMOKS-UHFFFAOYSA-N -1 0 380.853 3.672 20 50 GHGDRM COc1ccc(Br)c(NNC(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001599475751 998529657 /nfs/dbraw/zinc/52/96/57/998529657.db2.gz GRBYAAOSPIAQPW-UHFFFAOYSA-N -1 0 394.225 3.613 20 50 GHGDRM COC(=O)c1ccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)c2ccccc12 ZINC001598981071 998658508 /nfs/dbraw/zinc/65/85/08/998658508.db2.gz JHDAEAAWYPAFDL-UHFFFAOYSA-N -1 0 397.362 3.612 20 50 GHGDRM O=C([O-])[C@@H](NNC(=O)c1cc2c(s1)CCC2)c1ccc(Cl)cc1Cl ZINC000833149669 600734892 /nfs/dbraw/zinc/73/48/92/600734892.db2.gz YKPMUZXKRZWMSS-AWEZNQCLSA-N -1 0 385.272 3.604 20 50 GHGDRM CC(C)(C(=O)NN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000826081305 600748563 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Cc1cc(C=C(C#N)C(=O)Nc2n[nH]cc2C(=O)[O-])c(C)n1C1CCCCC1 ZINC001594300903 957907600 /nfs/dbraw/zinc/90/76/00/957907600.db2.gz ZDJKOJIHZYGEAQ-DHDCSXOGSA-N -1 0 381.436 3.577 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC001594301179 957911398 /nfs/dbraw/zinc/91/13/98/957911398.db2.gz NTUWEWNCNHFXDH-RGZVIEDOSA-N -1 0 385.851 3.634 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NCCCC(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC001594301148 957911746 /nfs/dbraw/zinc/91/17/46/957911746.db2.gz LPTCROPGZSZSFF-WJDWOHSUSA-N -1 0 385.851 3.636 20 50 GHGDRM Cc1cc(C(=O)NNc2ncccc2C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC001574316595 960795662 /nfs/dbraw/zinc/79/56/62/960795662.db2.gz VGHHJXCJUMZFOH-UHFFFAOYSA-N -1 0 384.823 3.598 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(C)n1CCC(C)C ZINC001574326756 960862356 /nfs/dbraw/zinc/86/23/56/960862356.db2.gz UZAWJSRAQJNQTH-XAEQJIKFSA-N -1 0 385.508 3.627 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NC2(C(=O)[O-])CCCC2)c(C)n1-c1ccccc1F ZINC001605164185 972857323 /nfs/dbraw/zinc/85/73/23/972857323.db2.gz NKZBTAIVEAMQOD-ATVHPVEESA-N -1 0 395.434 3.654 20 50 GHGDRM CC(C)c1noc(-c2ccc(NC(=O)NNc3ccc(CC(=O)[O-])cc3)cc2)n1 ZINC001592093570 976844662 /nfs/dbraw/zinc/84/46/62/976844662.db2.gz GDDYFWTWXLWCKU-UHFFFAOYSA-N -1 0 395.419 3.636 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c(C)n1CC(C)C ZINC000738230282 978503789 /nfs/dbraw/zinc/50/37/89/978503789.db2.gz JQDOSBDGZUSENK-IOAQBMTJSA-N -1 0 393.487 3.653 20 50 GHGDRM Cc1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)cc(C)c1OCC(=O)[O-] ZINC000738378298 978528332 /nfs/dbraw/zinc/52/83/32/978528332.db2.gz DMNJUESAJAYPHB-UHFFFAOYSA-N -1 0 394.349 3.550 20 50 GHGDRM O=C([O-])Nc1cc(NS(=O)(=O)c2ccc(CCCCl)cc2)ccc1F ZINC000740012672 978662851 /nfs/dbraw/zinc/66/28/51/978662851.db2.gz RHXFXDVCSPRADW-UHFFFAOYSA-N -1 0 386.832 3.888 20 50 GHGDRM Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)n2)cc1 ZINC000794687918 978815347 /nfs/dbraw/zinc/81/53/47/978815347.db2.gz VRTKYXWCQILEEE-MPMPPSQCSA-N -1 0 375.384 3.961 20 50 GHGDRM Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(O[C@H](C)C(=O)[O-])cc3)n2)cc1 ZINC000794687920 978815636 /nfs/dbraw/zinc/81/56/36/978815636.db2.gz VRTKYXWCQILEEE-RQNDZEIBSA-N -1 0 375.384 3.961 20 50 GHGDRM CC[C@H](NC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000794691906 978816988 /nfs/dbraw/zinc/81/69/88/978816988.db2.gz QXWQQBDDAYYQKL-ABGSZZSJSA-N -1 0 378.428 3.713 20 50 GHGDRM C[C@H](Cc1ccc(NC(=O)NNC(=O)c2cccc3ccccc32)cc1)C(=O)[O-] ZINC001592871426 979724033 /nfs/dbraw/zinc/72/40/33/979724033.db2.gz FCKMEITZVQOCDO-CQSZACIVSA-N -1 0 391.427 3.570 20 50 GHGDRM CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1OC(F)F ZINC001595253299 980229066 /nfs/dbraw/zinc/22/90/66/980229066.db2.gz WRMGVCJZCPPQGF-LBPRGKRZSA-N -1 0 397.353 3.903 20 50 GHGDRM O=C([O-])c1ccccc1C=NNC(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000916294698 982673276 /nfs/dbraw/zinc/67/32/76/982673276.db2.gz DKKRPZJUBOHNGP-UHFFFAOYSA-N -1 0 392.386 3.867 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1C ZINC001596108696 983435347 /nfs/dbraw/zinc/43/53/47/983435347.db2.gz LHHRYGQTGXTPAS-BOPFTXTBSA-N -1 0 381.432 3.524 20 50 GHGDRM CCOC(=O)Nc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2F)c(Cl)c1 ZINC001596680956 984769075 /nfs/dbraw/zinc/76/90/75/984769075.db2.gz LFKUPDBSNCGWDT-UHFFFAOYSA-N -1 0 395.774 3.503 20 50 GHGDRM Cc1c2cc(Br)ccc2oc1C(=O)NNc1ccccc1C(=O)[O-] ZINC001599982476 986183403 /nfs/dbraw/zinc/18/34/03/986183403.db2.gz WPWUCSGJXYBLKV-UHFFFAOYSA-N -1 0 389.205 3.959 20 50 GHGDRM C[C@H](C(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC001589424395 986691615 /nfs/dbraw/zinc/69/16/15/986691615.db2.gz VCXNDDRYEZMRRL-VIFPVBQESA-N -1 0 381.201 3.533 20 50 GHGDRM CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC001597540524 988227624 /nfs/dbraw/zinc/22/76/24/988227624.db2.gz UCNGMCCLZCXQGB-WQRHYEAKSA-N -1 0 378.428 3.875 20 50 GHGDRM CCc1sc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1Br ZINC001597818335 989452683 /nfs/dbraw/zinc/45/26/83/989452683.db2.gz QCNWDHVDQQBAGA-UHFFFAOYSA-N -1 0 387.230 3.667 20 50 GHGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC001590451540 990014138 /nfs/dbraw/zinc/01/41/38/990014138.db2.gz MZQSMRFYEYYKTN-QGZVFWFLSA-N -1 0 392.572 3.810 20 50 GHGDRM CC(C)(C)n1ncc(C(=O)NNc2cccc(F)c2C(=O)[O-])c1-c1ccccc1 ZINC001590601243 990258466 /nfs/dbraw/zinc/25/84/66/990258466.db2.gz GBLVYSQZOOCYHI-UHFFFAOYSA-N -1 0 396.422 3.899 20 50 GHGDRM CN(C(=O)OC(C)(C)C)c1cccc(C(=O)NNc2ccccc2C(=O)[O-])c1 ZINC001598066267 990349149 /nfs/dbraw/zinc/34/91/49/990349149.db2.gz ACKZAJBRLRVCFT-UHFFFAOYSA-N -1 0 385.420 3.513 20 50 GHGDRM COc1cccc(Oc2ccc(C(=O)NNc3cccc(C(=O)[O-])c3C)nc2)c1 ZINC001599681110 994983558 /nfs/dbraw/zinc/98/35/58/994983558.db2.gz IPJKYCIDXZFWHP-UHFFFAOYSA-N -1 0 393.399 3.646 20 50 GHGDRM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001593639469 995941126 /nfs/dbraw/zinc/94/11/26/995941126.db2.gz MHROAVNQBWIAIG-MRVPVSSYSA-N -1 0 387.194 3.741 20 50 GHGDRM COc1cc(C(=O)NNc2cccc(C(=O)[O-])c2C)ccc1OCCC(C)C ZINC001599355190 998166737 /nfs/dbraw/zinc/16/67/37/998166737.db2.gz JLPHHICYCOXSHR-UHFFFAOYSA-N -1 0 386.448 3.884 20 50 GHGDRM COC(=O)c1cc2cc(NC(=O)NNc3cccc(C(=O)[O-])c3C)ccc2s1 ZINC001598957378 998268253 /nfs/dbraw/zinc/26/82/53/998268253.db2.gz FLPOHJYVCMCZKP-UHFFFAOYSA-N -1 0 399.428 3.843 20 50 GHGDRM COc1ccc(-c2nc(C)sc2CC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC001599469153 998419039 /nfs/dbraw/zinc/41/90/39/998419039.db2.gz BXANNONLYBTBNO-UHFFFAOYSA-N -1 0 397.456 3.511 20 50 GHGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)[O-])c1C ZINC001599162002 998474705 /nfs/dbraw/zinc/47/47/05/998474705.db2.gz UYBSWMSPAAPLKV-AZZDOICSSA-N -1 0 387.461 3.618 20 50 GHGDRM O=C([O-])c1cc(OC(=O)COc2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000833114616 600974222 /nfs/dbraw/zinc/97/42/22/600974222.db2.gz OGYPUIKRWBENAU-UHFFFAOYSA-N -1 0 386.143 3.584 20 50 GHGDRM O=C([O-])[C@H](NNC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1Cl ZINC000833149277 601380820 /nfs/dbraw/zinc/38/08/20/601380820.db2.gz LFSOZZPSJYBREK-OAHLLOKOSA-N -1 0 379.199 3.800 20 50 GHGDRM O=C([O-])[C@H](NNC(=O)Cc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1 ZINC000833116733 601971186 /nfs/dbraw/zinc/97/11/86/601971186.db2.gz CKNBDPNRLHAINS-OAHLLOKOSA-N -1 0 387.650 3.636 20 50 GHGDRM CCCc1c(C(=O)NNc2ccc(OC(F)(F)F)cc2)[nH]c(C)c1C(=O)[O-] ZINC000829556154 602272439 /nfs/dbraw/zinc/27/24/39/602272439.db2.gz KBZWZXUGVONNMG-UHFFFAOYSA-N -1 0 385.342 3.629 20 50 GHGDRM CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000827434832 603808229 /nfs/dbraw/zinc/80/82/29/603808229.db2.gz VOBHKQREPPJLMT-VBKFSLOCSA-N -1 0 377.400 3.671 20 50 GHGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC000833520487 605739334 /nfs/dbraw/zinc/73/93/34/605739334.db2.gz CYTCGGRBKSBLTQ-SNVBAGLBSA-N -1 0 378.226 3.535 20 50 GHGDRM CCOc1ccccc1-c1cccc(C(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001593042989 951389987 /nfs/dbraw/zinc/38/99/87/951389987.db2.gz PXNZZDNPHUROLD-UHFFFAOYSA-N -1 0 377.400 3.602 20 50 GHGDRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C)cc2)c1C ZINC001589430705 954647512 /nfs/dbraw/zinc/64/75/12/954647512.db2.gz QXNASKUPBLIMRV-SQWSFHKJSA-N -1 0 379.460 3.631 20 50 GHGDRM O=C([O-])[C@H]1CCN(C(=O)Nc2ccccc2S[C@H](Cl)C(F)(F)F)C1 ZINC000819271245 955441170 /nfs/dbraw/zinc/44/11/70/955441170.db2.gz VSZKVQWEMQXPFF-UFBFGSQYSA-N -1 0 382.791 3.844 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC001594300887 957906512 /nfs/dbraw/zinc/90/65/12/957906512.db2.gz XVYWINWSPPMEBN-IKXRLOQMSA-N -1 0 395.434 3.510 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])CC2CC2)c(C)n1-c1ccccc1C ZINC001594413560 958971964 /nfs/dbraw/zinc/97/19/64/958971964.db2.gz BYRCLWADVDFHMV-JAIQZWGSSA-N -1 0 391.471 3.633 20 50 GHGDRM Cc1cc(Br)ccc1NNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001574307601 960750516 /nfs/dbraw/zinc/75/05/16/960750516.db2.gz DBNZJIABNPDQPK-UHFFFAOYSA-N -1 0 378.226 3.533 20 50 GHGDRM CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001573842723 961091388 /nfs/dbraw/zinc/09/13/88/961091388.db2.gz DWVGLPXQQUTRCY-UHFFFAOYSA-N -1 0 398.459 3.727 20 50 GHGDRM CCCCc1ccc(NC(=S)NNC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001573848488 961110293 /nfs/dbraw/zinc/11/02/93/961110293.db2.gz OIHVWHBCCVPZIU-UHFFFAOYSA-N -1 0 385.489 3.667 20 50 GHGDRM CC(=NNC(=O)Cc1ccccc1F)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000736122528 978304217 /nfs/dbraw/zinc/30/42/17/978304217.db2.gz WJPMRRMHKGNNDQ-UHFFFAOYSA-N -1 0 385.420 3.525 20 50 GHGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1C ZINC000737002837 978371843 /nfs/dbraw/zinc/37/18/43/978371843.db2.gz BTEIXXFDOJQUFL-GQEMFKIVSA-N -1 0 383.492 3.525 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000738378543 978529269 /nfs/dbraw/zinc/52/92/69/978529269.db2.gz IQNGZWNWUUPGCL-TVNWYLLRSA-N -1 0 398.507 3.776 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@](C)(C(=O)[O-])C2CC2)c(C)n1-c1ccccc1C ZINC000738756438 978600441 /nfs/dbraw/zinc/60/04/41/978600441.db2.gz MXPQLYMKVIXICF-QRKROWPFSA-N -1 0 391.471 3.679 20 50 GHGDRM O=C([O-])c1cc(OC(=O)C2(c3cccc(Cl)c3)CCC2)ccc1[N+](=O)[O-] ZINC000740086928 978666769 /nfs/dbraw/zinc/66/67/69/978666769.db2.gz DVJHTQYXVLCZDA-UHFFFAOYSA-N -1 0 375.764 3.974 20 50 GHGDRM C[C@H](Cc1ccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1)C(=O)[O-] ZINC001592871438 979723926 /nfs/dbraw/zinc/72/39/26/979723926.db2.gz FHPPVEIZHLCPOZ-LLVKDONJSA-N -1 0 397.353 3.997 20 50 GHGDRM CC[C@]1(C)Oc2ccc(NC(=O)NNc3ccc(C(=O)[O-])c(F)c3)cc2O1 ZINC001595371658 980853300 /nfs/dbraw/zinc/85/33/00/980853300.db2.gz KBVVWNXDUWNXTK-GOSISDBHSA-N -1 0 375.356 3.570 20 50 GHGDRM CC[C@H]1CCC[C@H](NC(=O)NNc2cc(C(=O)[O-])ccc2Br)C1 ZINC001595432804 981059324 /nfs/dbraw/zinc/05/93/24/981059324.db2.gz YQHJDJNTVPCRNA-JQWIXIFHSA-N -1 0 384.274 3.742 20 50 GHGDRM CCCCOC(=O)c1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)cc1 ZINC001595765287 982490233 /nfs/dbraw/zinc/49/02/33/982490233.db2.gz KTJJZURMHBDNSK-UHFFFAOYSA-N -1 0 389.383 3.629 20 50 GHGDRM CCCOc1cc(OC)ccc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595952417 983128366 /nfs/dbraw/zinc/12/83/66/983128366.db2.gz PIYQDTXCFRVUPW-UHFFFAOYSA-N -1 0 378.812 3.593 20 50 GHGDRM CCCOc1nc2ccccc2cc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001595974904 983205131 /nfs/dbraw/zinc/20/51/31/983205131.db2.gz KGUSSRFBULAUAW-UHFFFAOYSA-N -1 0 396.355 3.849 20 50 GHGDRM CCC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C)C(=O)[O-] ZINC001595987948 983241573 /nfs/dbraw/zinc/24/15/73/983241573.db2.gz UEESHWRIDVDADL-XLXASQRYSA-N -1 0 379.460 3.679 20 50 GHGDRM C/C(=C/C(=O)NNc1ccc(CC(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC001588942432 984636609 /nfs/dbraw/zinc/63/66/09/984636609.db2.gz KHCGUGSCNWKDOS-XFXZXTDPSA-N -1 0 378.350 3.879 20 50 GHGDRM Cc1c(Br)ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1F ZINC001599971474 986013197 /nfs/dbraw/zinc/01/31/97/986013197.db2.gz VCTVNSYWLNXPPB-UHFFFAOYSA-N -1 0 398.140 3.722 20 50 GHGDRM CC[C@@H](C(=O)NNC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)c1ccccc1 ZINC001594736071 987274350 /nfs/dbraw/zinc/27/43/50/987274350.db2.gz JGZVFEZUFDKPGU-OAHLLOKOSA-N -1 0 399.447 3.519 20 50 GHGDRM CSCc1cc(F)ccc1CNC(=O)NNc1cccc(C(=O)[O-])c1C ZINC001599802105 988193167 /nfs/dbraw/zinc/19/31/67/988193167.db2.gz CCPYDHDSWRYEFT-UHFFFAOYSA-N -1 0 377.441 3.522 20 50 GHGDRM CN(C(=O)C1CCC(Cl)CC1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001597998852 990130009 /nfs/dbraw/zinc/13/00/09/990130009.db2.gz VZKLJCOAOCBSFO-DBRPNBKGSA-N -1 0 388.689 3.831 20 50 GHGDRM CC(C)(C)c1csc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1C#N ZINC001590537398 990154618 /nfs/dbraw/zinc/15/46/18/990154618.db2.gz WDQMELUHEFZLPL-UHFFFAOYSA-N -1 0 376.413 3.903 20 50 GHGDRM CN(C)c1cccc2sc(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc21 ZINC001598342545 991414592 /nfs/dbraw/zinc/41/45/92/991414592.db2.gz PBBOCHMIKQPQPP-UHFFFAOYSA-N -1 0 386.385 3.793 20 50 GHGDRM CN(NC(=O)OCc1ccccc1)[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598541668 992908450 /nfs/dbraw/zinc/90/84/50/992908450.db2.gz PWUZHXQKKSZZPO-OAHLLOKOSA-N -1 0 382.338 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Cc1ccc(-c2cnc(NC(=O)NNc3ncccc3C(=O)[O-])s2)c(C)c1 ZINC001594335451 958260942 /nfs/dbraw/zinc/26/09/42/958260942.db2.gz AXENQAQFMNZFCH-UHFFFAOYSA-N -1 0 383.433 3.669 20 50 GHGDRM CC(C)C[C@H](CNC(=O)NNc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC001588852683 961946107 /nfs/dbraw/zinc/94/61/07/961946107.db2.gz DLRIEOXJQYAFSB-QGZVFWFLSA-N -1 0 385.464 3.639 20 50 GHGDRM CCCN(CC(=O)[O-])C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C ZINC001603660421 974032953 /nfs/dbraw/zinc/03/29/53/974032953.db2.gz MCBRZRFKWUUPGG-XDHOZWIPSA-N -1 0 379.460 3.633 20 50 GHGDRM CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC000736121049 978303197 /nfs/dbraw/zinc/30/31/97/978303197.db2.gz IUPOLCNUKWDSDD-UHFFFAOYSA-N -1 0 375.812 3.658 20 50 GHGDRM CC(=NNC(=O)c1c(Cl)cccc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC000736127262 978304986 /nfs/dbraw/zinc/30/49/86/978304986.db2.gz UJVMKXZQBASHJB-UHFFFAOYSA-N -1 0 381.215 3.611 20 50 GHGDRM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736892417 978364189 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20 50 GHGDRM C[C@H](Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1)C(=O)[O-] ZINC000794688377 978815251 /nfs/dbraw/zinc/81/52/51/978815251.db2.gz YWEYPTKOUNFFQM-LFTLCWSBSA-N -1 0 388.782 3.877 20 50 GHGDRM C[C@H](Oc1ccc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)cc1)C(=O)[O-] ZINC000794691103 978816969 /nfs/dbraw/zinc/81/69/69/978816969.db2.gz MCCAVMDFJIUQDH-GQVHDAKQSA-N -1 0 387.338 3.930 20 50 GHGDRM C[C@H](Oc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000794696402 978817812 /nfs/dbraw/zinc/81/78/12/978817812.db2.gz UZBUZVOFNRPYPK-NJPLLEPOSA-N -1 0 391.832 3.530 20 50 GHGDRM C[C@@H](Oc1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000794904493 978827242 /nfs/dbraw/zinc/82/72/42/978827242.db2.gz IKMWSZGBROHGNT-SNVBAGLBSA-N -1 0 381.215 3.609 20 50 GHGDRM C[C@H](CNC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC001592676577 979096230 /nfs/dbraw/zinc/09/62/30/979096230.db2.gz RQVIGVFMBMALBL-LLVKDONJSA-N -1 0 392.253 3.577 20 50 GHGDRM CCC1(CC)Oc2ccc(NC(=O)NNc3ccc(C(=O)[O-])cc3F)cc2O1 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CC(C)Cc1ccc(C(=O)CCC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001591476968 992595734 /nfs/dbraw/zinc/59/57/34/992595734.db2.gz BVJCGIPIVZAUDW-UHFFFAOYSA-N -1 0 386.423 3.829 20 50 GHGDRM C[C@H](NC(=O)NNc1ccc(CC(=O)[O-])cc1)C1(c2ccccc2)CCCC1 ZINC001593101843 993738790 /nfs/dbraw/zinc/73/87/90/993738790.db2.gz LQSCTISBEXEIES-INIZCTEOSA-N -1 0 381.476 3.840 20 50 GHGDRM COc1ccc2cc([C@H](C)C(=O)NNc3ccc(F)c(C(=O)[O-])c3)ccc2c1 ZINC001599634336 994265323 /nfs/dbraw/zinc/26/53/23/994265323.db2.gz JQXNWZTYIYXSCX-LBPRGKRZSA-N -1 0 382.391 3.933 20 50 GHGDRM CC1(C)CCC(NC(=O)NNc2cc(C(=O)[O-])ccc2Br)CC1 ZINC001593882295 996713243 /nfs/dbraw/zinc/71/32/43/996713243.db2.gz OVZJTZIHPIPQOG-UHFFFAOYSA-N -1 0 384.274 3.742 20 50 GHGDRM COc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)c(OC2CCCC2)c1 ZINC001599484125 996817702 /nfs/dbraw/zinc/81/77/02/996817702.db2.gz RIKPRFXTZZNXBO-UHFFFAOYSA-N -1 0 388.395 3.611 20 50 GHGDRM COc1cc(C2(C(=O)NNc3ccc(C(=O)[O-])cc3OC)CCCC2)ccc1C ZINC001599395436 997117016 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GHGDRM Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(Br)s1 ZINC000832869601 602144907 /nfs/dbraw/zinc/14/49/07/602144907.db2.gz FPWVRLCZQDPBHP-UHFFFAOYSA-N -1 0 386.179 3.645 20 50 GHGDRM O=C([O-])NCCCn1ccc2cc(C(=O)NNc3cccc(Cl)c3)ccc21 ZINC000832635797 603526533 /nfs/dbraw/zinc/52/65/33/603526533.db2.gz CUEWSMURUPSXAR-UHFFFAOYSA-N -1 0 386.839 3.709 20 50 GHGDRM CCc1cc(SC#N)cc(CC)c1NC(=O)c1csc(CNC(=O)[O-])n1 ZINC000827570575 604049906 /nfs/dbraw/zinc/04/99/06/604049906.db2.gz SYBWKUJXYVZQTO-UHFFFAOYSA-N -1 0 390.490 3.861 20 50 GHGDRM CC(=O)c1cccc(OCCCC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000833404080 605244882 /nfs/dbraw/zinc/24/48/82/605244882.db2.gz WOGUKODJXZYLQJ-UHFFFAOYSA-N -1 0 390.823 3.543 20 50 GHGDRM O=C([O-])Nc1cc(C(=O)NNc2ccc(Br)cc2F)ccc1F ZINC000834253690 605721137 /nfs/dbraw/zinc/72/11/37/605721137.db2.gz VPSZSPNLJRCFIJ-UHFFFAOYSA-N -1 0 386.152 3.574 20 50 GHGDRM C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC000833520486 605739306 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ZINC000737661013 978427551 /nfs/dbraw/zinc/42/75/51/978427551.db2.gz PIIJHXOFIIVYTH-CQSZACIVSA-N -1 0 383.491 3.824 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@](C)(C(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000738378519 978528993 /nfs/dbraw/zinc/52/89/93/978528993.db2.gz ICBNDNTYMSCEMX-PFSBYRDKSA-N -1 0 383.492 3.887 20 50 GHGDRM Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)c1 ZINC000738553231 978555195 /nfs/dbraw/zinc/55/51/95/978555195.db2.gz VIHJFWOOCIPJQP-UHFFFAOYSA-N -1 0 393.443 3.827 20 50 GHGDRM O=C([O-])c1occc1C=NNC(=O)Nc1ccc(Br)cc1Cl ZINC000739453394 978637068 /nfs/dbraw/zinc/63/70/68/978637068.db2.gz GUSJXYUANTWVAZ-UHFFFAOYSA-N -1 0 386.589 3.549 20 50 GHGDRM O=C([O-])c1cc(OC(=O)c2ccnc(Oc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000740307053 978674331 /nfs/dbraw/zinc/67/43/31/978674331.db2.gz HPORYZGXDIOAGF-UHFFFAOYSA-N -1 0 380.312 3.700 20 50 GHGDRM O=C([O-])c1cc(OC(=O)c2ccccc2Oc2cccnc2)ccc1[N+](=O)[O-] ZINC000740306493 978674464 /nfs/dbraw/zinc/67/44/64/978674464.db2.gz BEXFEPQUIXKGEE-UHFFFAOYSA-N -1 0 380.312 3.700 20 50 GHGDRM O=C([O-])c1cc(OC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1[N+](=O)[O-] ZINC000740308530 978675445 /nfs/dbraw/zinc/67/54/45/978675445.db2.gz VMGWPIAJMMYIGN-UHFFFAOYSA-N -1 0 388.313 3.635 20 50 GHGDRM O=C([O-])c1ccc(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)[nH]1 ZINC000749811436 978689729 /nfs/dbraw/zinc/68/97/29/978689729.db2.gz BPVJMVMXTWVEHF-UHFFFAOYSA-N -1 0 397.818 3.709 20 50 GHGDRM COc1ccc(Br)c(C(=O)NN=C(C)[C@H](C)CCCCC(=O)[O-])c1 ZINC000814836569 978890967 /nfs/dbraw/zinc/89/09/67/978890967.db2.gz SRHHMHPWAZYNDJ-LLVKDONJSA-N -1 0 399.285 3.845 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)c2c(OC)cccc2C(=O)[O-])c1C ZINC001596108375 983434184 /nfs/dbraw/zinc/43/41/84/983434184.db2.gz ZJAXIRYKLVYIMY-ATVHPVEESA-N -1 0 395.459 3.792 20 50 GHGDRM C=CCC1(CNC(=O)NNc2cc(C(=O)[O-])ccc2Br)CCCC1 ZINC001588767165 984128803 /nfs/dbraw/zinc/12/88/03/984128803.db2.gz MUDBGWIAZZUPKL-UHFFFAOYSA-N -1 0 396.285 3.910 20 50 GHGDRM CCOc1ccccc1C(F)(F)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597174045 987023370 /nfs/dbraw/zinc/02/33/70/987023370.db2.gz YJDKFONETMPXDM-UHFFFAOYSA-N -1 0 384.766 3.672 20 50 GHGDRM CCc1cc(C(=O)NNc2cccc(C(=O)[O-])c2)c2c(CC(C)(C)C)noc2n1 ZINC001597432086 987773936 /nfs/dbraw/zinc/77/39/36/987773936.db2.gz WZOPPBQBMJICFI-UHFFFAOYSA-N -1 0 396.447 3.829 20 50 GHGDRM CCc1ccc(NC(=O)NNc2cc(C(=O)[O-])ccc2Br)cc1 ZINC001597546727 988252327 /nfs/dbraw/zinc/25/23/27/988252327.db2.gz KEMWBSYDFRQNEV-UHFFFAOYSA-N -1 0 378.226 3.858 20 50 GHGDRM CC(C)(C)OC(=O)Nc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001590306161 989738582 /nfs/dbraw/zinc/73/85/82/989738582.db2.gz SWHQLPWOADXDIR-UHFFFAOYSA-N -1 0 389.383 3.628 20 50 GHGDRM CC(C)(C)c1ncsc1C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001590573303 990211436 /nfs/dbraw/zinc/21/14/36/990211436.db2.gz RPDHJJHDWLWRQE-UHFFFAOYSA-N -1 0 398.282 3.658 20 50 GHGDRM CC(C)N(C)c1ccc(NC(=O)NNc2ccc(C(=O)[O-])cc2F)cc1F ZINC001591560719 992757890 /nfs/dbraw/zinc/75/78/90/992757890.db2.gz FYJHPFSDZPBRRU-UHFFFAOYSA-N -1 0 378.379 3.656 20 50 GHGDRM CN(NC(=O)OCc1ccccc1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598540963 992899642 /nfs/dbraw/zinc/89/96/42/992899642.db2.gz IEKUINXIMFZKKE-OAHLLOKOSA-N -1 0 383.231 3.892 20 50 GHGDRM COc1ccc2cc([C@H](C)C(=O)NNc3cccc(F)c3C(=O)[O-])ccc2c1 ZINC001599636322 994293250 /nfs/dbraw/zinc/29/32/50/994293250.db2.gz NPKILFYYZWAOFT-LBPRGKRZSA-N -1 0 382.391 3.933 20 50 GHGDRM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001593639451 995941356 /nfs/dbraw/zinc/94/13/56/995941356.db2.gz LFMPFVPRJUTQKF-JTQLQIEISA-N -1 0 383.231 3.531 20 50 GHGDRM COCc1ccc(NC(=O)NNc2ccc(CC(=O)[O-])cc2)cc1C(F)(F)F ZINC001599294402 997114336 /nfs/dbraw/zinc/11/43/36/997114336.db2.gz DAIYYCLVHRLFKX-UHFFFAOYSA-N -1 0 397.353 3.628 20 50 GHGDRM COc1cc(OC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)ccc1C(=O)[O-] ZINC001599445231 997997975 /nfs/dbraw/zinc/99/79/75/997997975.db2.gz BRUBNSZEHGGMAA-MFOYZWKCSA-N -1 0 396.443 3.980 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1sc(C2CCCC2)nc1C ZINC001599377737 998516667 /nfs/dbraw/zinc/51/66/67/998516667.db2.gz MKOTUEJQPVYDPI-UHFFFAOYSA-N -1 0 375.450 3.573 20 50 GHGDRM CCOc1ccccc1NC(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2 ZINC000827458983 603808455 /nfs/dbraw/zinc/80/84/55/603808455.db2.gz CSPULPVONRYERL-VBKFSLOCSA-N -1 0 377.400 3.671 20 50 GHGDRM CC(C)Cn1ncc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1C1CC1 ZINC000833493576 605247229 /nfs/dbraw/zinc/24/72/29/605247229.db2.gz GDKYZKDCXKAPOL-UHFFFAOYSA-N -1 0 376.844 3.525 20 50 GHGDRM O=C([O-])NCc1cccc(NC(=O)NNc2ccc(OC(F)(F)F)cc2)c1 ZINC000834247955 605657641 /nfs/dbraw/zinc/65/76/41/605657641.db2.gz ZHCPIMFNIUXXGZ-UHFFFAOYSA-N -1 0 384.314 3.501 20 50 GHGDRM CC(C)(CC(=O)[O-])CC(=O)NNc1ccc(Br)cc1C(F)(F)F ZINC000833454480 605706619 /nfs/dbraw/zinc/70/66/19/605706619.db2.gz KNCYJMNEIVNAKG-UHFFFAOYSA-N -1 0 397.191 3.802 20 50 GHGDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1ccccc1C(=O)[O-] ZINC000833377805 605723421 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O=C([O-])c1ccc(CCC(=O)NNc2c(F)cc(F)cc2Br)cc1 ZINC000739256578 978625428 /nfs/dbraw/zinc/62/54/28/978625428.db2.gz ZTIRKZVGYJAUNI-UHFFFAOYSA-N -1 0 399.191 3.501 20 50 GHGDRM O=C([O-])c1cn(CC(=O)NNc2ccnc3cc(Cl)ccc32)c2ccccc12 ZINC000739359763 978632820 /nfs/dbraw/zinc/63/28/20/978632820.db2.gz QGNPUVDCJTUMAV-UHFFFAOYSA-N -1 0 394.818 3.684 20 50 GHGDRM C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC000794687718 978815263 /nfs/dbraw/zinc/81/52/63/978815263.db2.gz UQZDSEVBHFCGAL-IQFISFIMSA-N -1 0 378.428 3.933 20 50 GHGDRM CC(=NNC(=O)CSc1nc2ccccc2s1)c1cc(C(=O)[O-])cs1 ZINC000814724143 978876788 /nfs/dbraw/zinc/87/67/88/978876788.db2.gz PZICHTQAPBNFOR-UHFFFAOYSA-N -1 0 391.499 3.689 20 50 GHGDRM O=C([O-])c1cccc(C=NNC(=O)c2cc(-c3ccco3)nc3ccccc32)c1 ZINC000814735579 978878009 /nfs/dbraw/zinc/87/80/09/978878009.db2.gz FHGVXZBNRYACFR-UHFFFAOYSA-N -1 0 385.379 3.957 20 50 GHGDRM CCCC(=O)Nc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2F)c1C ZINC001595531430 981366347 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987278976 /nfs/dbraw/zinc/27/89/76/987278976.db2.gz PKJKEJFIQSVTTF-GFCCVEGCSA-N -1 0 393.802 3.524 20 50 GHGDRM CCc1cc(Br)ccc1NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001597424888 987749792 /nfs/dbraw/zinc/74/97/92/987749792.db2.gz ZEVWHJYJGMTRMM-UHFFFAOYSA-N -1 0 396.216 3.997 20 50 GHGDRM CCc1ccc(-c2nc(C(=O)NNc3cccc(C(=O)[O-])c3F)cs2)cc1 ZINC001597492952 988034516 /nfs/dbraw/zinc/03/45/16/988034516.db2.gz ZUKITTJBICSOIO-UHFFFAOYSA-N -1 0 385.420 3.967 20 50 GHGDRM CSc1cc(C(=O)NNc2cccc(C(=O)[O-])c2C)ccc1Br ZINC001599807967 988286881 /nfs/dbraw/zinc/28/68/81/988286881.db2.gz YITRSDOXQKGIKS-UHFFFAOYSA-N -1 0 395.278 3.935 20 50 GHGDRM CCc1nc2ccc(Cl)cn2c1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597690846 988874606 /nfs/dbraw/zinc/87/46/06/988874606.db2.gz JXJWDQQBQWAGSB-UHFFFAOYSA-N -1 0 393.230 3.659 20 50 GHGDRM CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001590452095 990017911 /nfs/dbraw/zinc/01/79/11/990017911.db2.gz XJGLPHBVVQLQIT-QGZVFWFLSA-N -1 0 393.556 3.776 20 50 GHGDRM C[C@@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccc(OC(F)F)cc1 ZINC001593101849 993738965 /nfs/dbraw/zinc/73/89/65/993738965.db2.gz LTEFDDJNYBDTNL-SECBINFHSA-N -1 0 383.326 3.513 20 50 GHGDRM C[C@@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC001593102126 993740371 /nfs/dbraw/zinc/74/03/71/993740371.db2.gz PUVJUACGTKCOGN-SECBINFHSA-N -1 0 383.326 3.513 20 50 GHGDRM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1nc(C(C)(C)C)cs1 ZINC001593102098 993740574 /nfs/dbraw/zinc/74/05/74/993740574.db2.gz PAHLQUIEPDHMPI-VIFPVBQESA-N -1 0 380.445 3.665 20 50 GHGDRM C[C@@H](NC(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccccc1OC(F)F ZINC001593102236 993742234 /nfs/dbraw/zinc/74/22/34/993742234.db2.gz QBIXXAIFWWTNPH-SECBINFHSA-N -1 0 383.326 3.513 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)C1(c2ccccc2OC)CCCCC1 ZINC001599376432 998493864 /nfs/dbraw/zinc/49/38/64/998493864.db2.gz UBEXUCYRGMZQFG-UHFFFAOYSA-N -1 0 398.459 3.747 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc(Br)ccc1Cl ZINC001599377298 998507515 /nfs/dbraw/zinc/50/75/15/998507515.db2.gz RJUKRKUTCRMTNE-UHFFFAOYSA-N -1 0 399.628 3.566 20 50 GHGDRM COC(=O)c1ccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)cc1C(=O)[O-] ZINC001598980956 998657218 /nfs/dbraw/zinc/65/72/18/998657218.db2.gz FONLDXMTTHXNKX-UHFFFAOYSA-N -1 0 398.202 3.627 20 50 GHGDRM C[C@@H]1CC[C@H](NC(=O)NNc2cc(C(=O)[O-])ccc2Br)C[C@H]1C ZINC001594314462 999216903 /nfs/dbraw/zinc/21/69/03/999216903.db2.gz QCYVXNNWUNYENS-FOGDFJRCSA-N -1 0 384.274 3.598 20 50 GHGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1C ZINC000831651306 601062178 /nfs/dbraw/zinc/06/21/78/601062178.db2.gz VQMAIAYAXXTRRN-QANDDYDISA-N -1 0 395.459 3.865 20 50 GHGDRM COc1ccc(CNC(=O)NNc2cc(Cl)ccc2Cl)cc1C(=O)[O-] ZINC000832330846 601766367 /nfs/dbraw/zinc/76/63/67/601766367.db2.gz YGKBAJMSEYZEHJ-UHFFFAOYSA-N -1 0 384.219 3.527 20 50 GHGDRM CC(C)(C(=O)NN[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000826081436 601973930 /nfs/dbraw/zinc/97/39/30/601973930.db2.gz SNBSVXZZTWYHSU-OAHLLOKOSA-N -1 0 381.259 3.718 20 50 GHGDRM Cc1sc2[nH]c(C(C#N)=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)nc(=O)c2c1C ZINC000833037465 602107572 /nfs/dbraw/zinc/10/75/72/602107572.db2.gz ZJQSFLIOGQKAMO-ZEVOCZHWSA-N -1 0 395.440 3.930 20 50 GHGDRM Cc1sc2[nH]c(C(C#N)=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)nc(=O)c2c1C ZINC000833037464 602107603 /nfs/dbraw/zinc/10/76/03/602107603.db2.gz ZJQSFLIOGQKAMO-KYJZABPNSA-N -1 0 395.440 3.930 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2nc(CCC(=O)[O-])cs2)c1C ZINC000829580595 604738342 /nfs/dbraw/zinc/73/83/42/604738342.db2.gz ZVUSOUGOZMWEEO-DHDCSXOGSA-N -1 0 386.477 3.534 20 50 GHGDRM Cc1ccc(Br)cc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833747501 605248267 /nfs/dbraw/zinc/24/82/67/605248267.db2.gz RSYLZCREUOUGGC-UHFFFAOYSA-N -1 0 383.629 3.866 20 50 GHGDRM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833446765 605710344 /nfs/dbraw/zinc/71/03/44/605710344.db2.gz HRGVMPHJQLPYGG-HHHXNRCGSA-N -1 0 389.477 3.581 20 50 GHGDRM CCCOc1c(Cl)cc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1OC ZINC000833651936 605735222 /nfs/dbraw/zinc/73/52/22/605735222.db2.gz IBMRQPAPGWAJCQ-UHFFFAOYSA-N -1 0 378.812 3.593 20 50 GHGDRM CC[C@H](C(=O)[O-])N(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C ZINC001589430707 954647759 /nfs/dbraw/zinc/64/77/59/954647759.db2.gz QXNASKUPBLIMRV-VOMPUTFMSA-N -1 0 379.460 3.631 20 50 GHGDRM CC(C)C[C@H](CNC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC001603010455 972062595 /nfs/dbraw/zinc/06/25/95/972062595.db2.gz NSBLMVKAUZMLND-SECBINFHSA-N -1 0 381.782 3.732 20 50 GHGDRM CC[C@@H](CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C)C(=O)[O-] ZINC001589518851 955083241 /nfs/dbraw/zinc/08/32/41/955083241.db2.gz OGPNXKUNAHIYKG-BEWREHSGSA-N -1 0 379.460 3.537 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2CC(=O)[O-])c(C)n1CC(C)C ZINC000738231585 955235644 /nfs/dbraw/zinc/23/56/44/955235644.db2.gz UHZPCPKJZZVXEU-GRSHGNNSSA-N -1 0 379.460 3.934 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(C)n1-c1cccc(Cl)c1 ZINC001594300645 957905064 /nfs/dbraw/zinc/90/50/64/957905064.db2.gz SOYBGXJNPLCNIS-RICQPCCMSA-N -1 0 397.862 3.634 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(Cl)cc1 ZINC001594301017 957908681 /nfs/dbraw/zinc/90/86/81/957908681.db2.gz FBJLAAHDNGOJSN-HAKPAVFJSA-N -1 0 397.862 3.588 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)CC(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC001594301178 957911691 /nfs/dbraw/zinc/91/16/91/957911691.db2.gz NTUWEWNCNHFXDH-PFSWGADMSA-N -1 0 385.851 3.634 20 50 GHGDRM O=C([O-])c1ccccc1CNC(=O)NNc1ccc(Cl)cc1Br ZINC001605808430 972523137 /nfs/dbraw/zinc/52/31/37/972523137.db2.gz DGUSIKLQGMJOCW-UHFFFAOYSA-N -1 0 398.644 3.627 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NCC2(C(=O)[O-])CCC2)c(C)n1-c1ccc(C)cc1 ZINC001605240487 972998699 /nfs/dbraw/zinc/99/86/99/972998699.db2.gz NLJCEBGBXGDQGZ-UNOMPAQXSA-N -1 0 391.471 3.681 20 50 GHGDRM CC[C@@H](CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C)cc2)c1C)C(=O)[O-] ZINC001603549815 973613380 /nfs/dbraw/zinc/61/33/80/973613380.db2.gz CTLRGMDSITUSBD-BEWREHSGSA-N -1 0 379.460 3.537 20 50 GHGDRM COc1ccc(NNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(Br)c1 ZINC001604821163 974061350 /nfs/dbraw/zinc/06/13/50/974061350.db2.gz OMAZBTHMIHOQBM-UHFFFAOYSA-N -1 0 394.225 3.613 20 50 GHGDRM CC(C)OCc1c2ccccc2oc1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001591730808 975699490 /nfs/dbraw/zinc/69/94/90/975699490.db2.gz DJJHNLATMHKKAD-UHFFFAOYSA-N -1 0 386.379 3.952 20 50 GHGDRM CC(C)Oc1ccc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)cc1 ZINC001591761298 975848762 /nfs/dbraw/zinc/84/87/62/975848762.db2.gz LYKSABZCBJDGAX-UHFFFAOYSA-N -1 0 393.237 3.691 20 50 GHGDRM CC(C)c1c(Cl)ncnc1NNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001591923371 976400748 /nfs/dbraw/zinc/40/07/48/976400748.db2.gz NOVBDICCIVURIU-JTQLQIEISA-N -1 0 377.832 3.590 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC000737051149 978376296 /nfs/dbraw/zinc/37/62/96/978376296.db2.gz QCNSZFHHDWQAJR-XGHXRCDJSA-N -1 0 384.407 3.930 20 50 GHGDRM Cc1ccc(-c2nc(C(=O)Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cs2)cc1 ZINC000738492724 978547339 /nfs/dbraw/zinc/54/73/39/978547339.db2.gz JARDCKINQBNWKU-UHFFFAOYSA-N -1 0 384.369 3.944 20 50 GHGDRM Cc1ccccc1-c1nc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cs1 ZINC000738756972 978600511 /nfs/dbraw/zinc/60/05/11/978600511.db2.gz VTRMZJLDLGAGRK-UHFFFAOYSA-N -1 0 384.369 3.944 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@](C)(C(=O)[O-])C2CC2)c(C)n1-c1ccccc1C ZINC000738756440 978600615 /nfs/dbraw/zinc/60/06/15/978600615.db2.gz MXPQLYMKVIXICF-SJQUQUAPSA-N -1 0 391.471 3.679 20 50 GHGDRM O=C([O-])c1ccc(C=NNC(=O)Nc2ccc(Br)cc2Cl)o1 ZINC000739454783 978640173 /nfs/dbraw/zinc/64/01/73/978640173.db2.gz UVQJMFPZIKDIRS-UHFFFAOYSA-N -1 0 386.589 3.549 20 50 GHGDRM O=C([O-])CSCc1cccc(NC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)c1 ZINC000776639606 978763971 /nfs/dbraw/zinc/76/39/71/978763971.db2.gz CEJPJNNHUKXJQH-FABXCBLPSA-N -1 0 398.322 3.897 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000832882048 979052500 /nfs/dbraw/zinc/05/25/00/979052500.db2.gz YHSOEVPJBFNQII-BRLFHKSJSA-N -1 0 383.492 3.696 20 50 GHGDRM CC[C@H](CNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C)C(=O)[O-] ZINC001595135534 979577216 /nfs/dbraw/zinc/57/72/16/979577216.db2.gz VULMTXADPCFMFZ-GESOSKEOSA-N -1 0 399.878 3.882 20 50 GHGDRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592838997 979594295 /nfs/dbraw/zinc/59/42/95/979594295.db2.gz SUXFDKKDZAXTFP-JTQLQIEISA-N -1 0 384.329 3.865 20 50 GHGDRM O=C([O-])c1c[nH]c2cc(NC(=O)[C@@]34CC[C@@H](C[C@H]3Br)C4)ccc12 ZINC000864161597 979777915 /nfs/dbraw/zinc/77/79/15/979777915.db2.gz XJSWCXVFHYXYHI-PIAMENMFSA-N -1 0 377.238 3.758 20 50 GHGDRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595204152 979972935 /nfs/dbraw/zinc/97/29/35/979972935.db2.gz AIPMTGCUWBXTBB-CYBMUJFWSA-N -1 0 379.819 3.825 20 50 GHGDRM CC[C@@H]1CCC[C@@H]1CNC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595455595 981123759 /nfs/dbraw/zinc/12/37/59/981123759.db2.gz MQTRYAXCHJTDEN-ZYHUDNBSSA-N -1 0 384.274 3.600 20 50 GHGDRM N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)Nc1nc2ccccc2nc1Cl ZINC000915852686 982669642 /nfs/dbraw/zinc/66/96/42/982669642.db2.gz UFMOVZBSEPQNLZ-LCYFTJDESA-N -1 0 378.775 3.527 20 50 GHGDRM CCCOc1nc2ccccc2cc1C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001595975062 983207074 /nfs/dbraw/zinc/20/70/74/983207074.db2.gz RUIFZFIZKNLAFT-UHFFFAOYSA-N -1 0 379.416 3.787 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1C ZINC001596108177 983433320 /nfs/dbraw/zinc/43/33/20/983433320.db2.gz RNPLGVZAKYNNGI-BUDOKORBSA-N -1 0 397.450 3.812 20 50 GHGDRM C=C(C)C[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC001588537823 983602252 /nfs/dbraw/zinc/60/22/52/983602252.db2.gz YYEWDVZLRMVPRM-ZZODWALSSA-N -1 0 395.434 3.676 20 50 GHGDRM C=C(Cl)CSc1nc(C)c(CC(=O)NNc2cccc(C(=O)[O-])c2)s1 ZINC001588643663 983766837 /nfs/dbraw/zinc/76/68/37/983766837.db2.gz QPHWYWFHBNEWLI-UHFFFAOYSA-N -1 0 397.909 3.680 20 50 GHGDRM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001599906115 984924405 /nfs/dbraw/zinc/92/44/05/984924405.db2.gz IGPBSIGGKRKODZ-INIZCTEOSA-N -1 0 390.439 3.891 20 50 GHGDRM CC(=O)Nc1cc(Cl)c(NC(=O)NNc2ccccc2Cl)cc1C(=O)[O-] ZINC001589173827 985541529 /nfs/dbraw/zinc/54/15/29/985541529.db2.gz QKGYKDXDHCUGTN-UHFFFAOYSA-N -1 0 397.218 3.799 20 50 GHGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1 ZINC001599954342 985662120 /nfs/dbraw/zinc/66/21/20/985662120.db2.gz JSHBOBYFZKOSSO-CQSZACIVSA-N -1 0 380.561 3.956 20 50 GHGDRM CCOc1ccc(-c2nc(C)c(C(=O)NNc3cccc(C(=O)[O-])c3)s2)cc1 ZINC001597049153 986516933 /nfs/dbraw/zinc/51/69/33/986516933.db2.gz CXFUIQAYGJQGEH-UHFFFAOYSA-N -1 0 397.456 3.972 20 50 GHGDRM CCOc1ccc(-c2nc(C(=O)NNc3ccccc3C(=O)[O-])cs2)cc1 ZINC001597049164 986518294 /nfs/dbraw/zinc/51/82/94/986518294.db2.gz DJBTWYYXGXKXAB-UHFFFAOYSA-N -1 0 383.429 3.664 20 50 GHGDRM CC[C@@H](C(=O)NNC(=O)Nc1cccc2cc(C(=O)[O-])sc21)c1ccccc1 ZINC001594737333 987280923 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GHGDRM COCc1cc(NC(=O)NNc2ccc(Cl)cc2Cl)cc(C(=O)[O-])c1 ZINC001599285463 996969648 /nfs/dbraw/zinc/96/96/48/996969648.db2.gz AGJFORGOCOIRRM-UHFFFAOYSA-N -1 0 384.219 3.987 20 50 GHGDRM C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001594072812 997924422 /nfs/dbraw/zinc/92/44/22/997924422.db2.gz IVEFGJDEAQDNOP-MAUKXSAKSA-N -1 0 389.249 3.568 20 50 GHGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)OCc2cccc(C(=O)[O-])c2)c1C ZINC001599161360 998464161 /nfs/dbraw/zinc/46/41/61/998464161.db2.gz PGLACKPBVWHMJQ-RKQRPNFGSA-N -1 0 396.443 3.661 20 50 GHGDRM O=C([O-])[C@@H](NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccc1F ZINC000833149076 600734928 /nfs/dbraw/zinc/73/49/28/600734928.db2.gz CZWSRCXUMRMLSE-KRWDZBQOSA-N -1 0 388.395 3.754 20 50 GHGDRM CCOc1cc(C=NNC(=O)[O-])ccc1OCCOc1cccc(Cl)c1 ZINC000830045081 600984171 /nfs/dbraw/zinc/98/41/71/600984171.db2.gz VCUGYBQEURFMHG-UHFFFAOYSA-N -1 0 378.812 3.798 20 50 GHGDRM Cc1ccc(C)c(-c2csc(NC(=O)/C(C#N)=C/c3c[nH]c(C(=O)[O-])c3)n2)c1 ZINC000832925249 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391.471 3.633 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)C(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC001574326745 960861231 /nfs/dbraw/zinc/86/12/31/960861231.db2.gz UYTYQRBRLMLUFZ-DHDCSXOGSA-N -1 0 385.851 3.634 20 50 GHGDRM C[C@@H](NC(=O)NNc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848594907 969268553 /nfs/dbraw/zinc/26/85/53/969268553.db2.gz BQIIHWCXWAXBBB-DVVUODLYSA-N -1 0 391.365 3.606 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000738379878 978531161 /nfs/dbraw/zinc/53/11/61/978531161.db2.gz UOBGZAWNVDBCPA-DAQNXSASSA-N -1 0 383.492 3.840 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c(C)n1CC(C)C ZINC000738380048 978531301 /nfs/dbraw/zinc/53/13/01/978531301.db2.gz VMNLHHFIFDDEHV-GUBQRQEFSA-N -1 0 393.487 3.952 20 50 GHGDRM O=C([O-])Nc1ccccc1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000740046854 978665620 /nfs/dbraw/zinc/66/56/20/978665620.db2.gz ZNHNHDWGKMADKZ-UHFFFAOYSA-N -1 0 399.403 3.719 20 50 GHGDRM O=C([O-])c1cc(OC(=O)c2csc(-c3cccs3)n2)ccc1[N+](=O)[O-] ZINC000740306567 978674480 /nfs/dbraw/zinc/67/44/80/978674480.db2.gz CSQIBIHKZTXLNS-UHFFFAOYSA-N -1 0 376.371 3.697 20 50 GHGDRM CC(=NNC(=O)c1cc(F)ccc1Br)[C@@H](C)CCCCC(=O)[O-] ZINC000814836441 978890901 /nfs/dbraw/zinc/89/09/01/978890901.db2.gz NTZPQUHVTOCAJP-JTQLQIEISA-N -1 0 387.249 3.975 20 50 GHGDRM COc1ccc(C(=O)NN=C(C)[C@@H](C)CCCCC(=O)[O-])cc1Br ZINC000814847336 978892344 /nfs/dbraw/zinc/89/23/44/978892344.db2.gz JJJJUCXKRRSMQF-NSHDSACASA-N -1 0 399.285 3.845 20 50 GHGDRM C[C@H](CNC(=O)NNc1cc(C(=O)[O-])ccc1Br)c1ccccc1 ZINC001592676665 979097033 /nfs/dbraw/zinc/09/70/33/979097033.db2.gz UJDSMHJNEHVAPD-LLVKDONJSA-N -1 0 392.253 3.577 20 50 GHGDRM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592837831 979584415 /nfs/dbraw/zinc/58/44/15/979584415.db2.gz DRGUWCTYTVXSCI-SNVBAGLBSA-N -1 0 384.329 3.865 20 50 GHGDRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595204153 979973254 /nfs/dbraw/zinc/97/32/54/979973254.db2.gz AIPMTGCUWBXTBB-ZDUSSCGKSA-N -1 0 379.819 3.825 20 50 GHGDRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001595205267 979980252 /nfs/dbraw/zinc/98/02/52/979980252.db2.gz SIWCGHLBVGGEPA-CYBMUJFWSA-N -1 0 379.819 3.825 20 50 GHGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1C ZINC001595802744 982621822 /nfs/dbraw/zinc/62/18/22/982621822.db2.gz MAGZHPUSMKAYAM-DTBYZMGXSA-N -1 0 379.460 3.754 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1C ZINC001596108181 983433284 /nfs/dbraw/zinc/43/32/84/983433284.db2.gz RNPLGVZAKYNNGI-OLROSQPISA-N -1 0 397.450 3.812 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC(=O)[O-])c2cccc(F)c2)c1C ZINC001596108349 983434138 /nfs/dbraw/zinc/43/41/38/983434138.db2.gz XWKRTBOHRYEOQV-YVLHZVERSA-N -1 0 383.423 3.679 20 50 GHGDRM C=C(C)C[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC001588537820 983602182 /nfs/dbraw/zinc/60/21/82/983602182.db2.gz YYEWDVZLRMVPRM-FVECTHPASA-N -1 0 395.434 3.676 20 50 GHGDRM C=C(C)C[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC001588537821 983602257 /nfs/dbraw/zinc/60/22/57/983602257.db2.gz YYEWDVZLRMVPRM-KDMTZKAISA-N -1 0 395.434 3.676 20 50 GHGDRM CC(=O)Nc1cc(Cl)c(NC(=O)NNc2c(C)cccc2F)cc1C(=O)[O-] ZINC001589173496 985538171 /nfs/dbraw/zinc/53/81/71/985538171.db2.gz LOFFUKZVZVVONK-UHFFFAOYSA-N -1 0 394.790 3.593 20 50 GHGDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)C(C#N)=Cc1cc(C)n(CC(C)C)c1C ZINC001589261481 985921996 /nfs/dbraw/zinc/92/19/96/985921996.db2.gz HWRSOIOBSZUXGZ-FRKPEAEDSA-N -1 0 396.447 3.536 20 50 GHGDRM CC[C@@H](C(=O)NNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1ccccc1 ZINC001594736514 987277732 /nfs/dbraw/zinc/27/77/32/987277732.db2.gz NBFRNSDSCJHOCI-OAHLLOKOSA-N -1 0 391.427 3.885 20 50 GHGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001589698422 987780840 /nfs/dbraw/zinc/78/08/40/987780840.db2.gz BGTZTIXLXCOPTI-YPMHNXCESA-N -1 0 376.678 3.782 20 50 GHGDRM CC(C)(C)[C@H](Br)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001589699664 987786932 /nfs/dbraw/zinc/78/69/32/987786932.db2.gz PAUWXEBOUAVFHN-WCQYABFASA-N -1 0 376.678 3.782 20 50 GHGDRM CC(C)(C)Oc1ccccc1CNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001590420203 989962806 /nfs/dbraw/zinc/96/28/06/989962806.db2.gz OIHSUWIPYBAKBV-UHFFFAOYSA-N -1 0 375.400 3.528 20 50 GHGDRM CN(C)N(C(=O)c1cc2cccc(Cl)c2s1)c1nc(CC(=O)[O-])cs1 ZINC001598257251 991072265 /nfs/dbraw/zinc/07/22/65/991072265.db2.gz JHHGHIKURWQAPR-UHFFFAOYSA-N -1 0 395.893 3.762 20 50 GHGDRM CC(C)CCO[C@H]1CC[C@H](NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001591259587 992162951 /nfs/dbraw/zinc/16/29/51/992162951.db2.gz LDFIIWFNVQSSBN-CTYIDZIISA-N -1 0 381.448 3.524 20 50 GHGDRM CC(C)Cn1ncc(NC(=O)NNc2cccc(C(=O)[O-])c2F)c1C(C)C ZINC001591533493 992711238 /nfs/dbraw/zinc/71/12/38/992711238.db2.gz IADYNRAXGLHMAA-UHFFFAOYSA-N -1 0 377.420 3.648 20 50 GHGDRM CNc1ccc(C(F)(F)F)cc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001598680310 994917438 /nfs/dbraw/zinc/91/74/38/994917438.db2.gz ZZBZVEGJYFZUKY-UHFFFAOYSA-N -1 0 384.266 3.573 20 50 GHGDRM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001593639700 995942684 /nfs/dbraw/zinc/94/26/84/995942684.db2.gz RSYVVOHBNMLEGE-QMMMGPOBSA-N -1 0 387.194 3.741 20 50 GHGDRM C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001594072813 997925038 /nfs/dbraw/zinc/92/50/38/997925038.db2.gz IVEFGJDEAQDNOP-QAPCUYQASA-N -1 0 389.249 3.568 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 ZINC001599376657 998497797 /nfs/dbraw/zinc/49/77/97/998497797.db2.gz AQOKTUVMYQQAJF-FLIBITNWSA-N -1 0 394.349 3.959 20 50 GHGDRM C[C@H]1CCc2[nH]c3ccc(C(=O)NNc4cccc(C(=O)[O-])c4F)cc3c2C1 ZINC001594441451 999627275 /nfs/dbraw/zinc/62/72/75/999627275.db2.gz CTDKHQADPYTHDZ-NSHDSACASA-N -1 0 381.407 3.887 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC000829580249 601346374 /nfs/dbraw/zinc/34/63/74/601346374.db2.gz UCZAZMKFQCQLLH-FJZBCQJGSA-N -1 0 391.427 3.663 20 50 GHGDRM O=C([O-])[C@@H](NNC(=O)c1cccc2ncccc21)c1cc(Cl)cc(Cl)c1 ZINC000833149368 601974947 /nfs/dbraw/zinc/97/49/47/601974947.db2.gz OGPLBBUKJWPKRL-INIZCTEOSA-N -1 0 390.226 3.602 20 50 GHGDRM COc1cc(F)cc(NNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000832010620 602144318 /nfs/dbraw/zinc/14/43/18/602144318.db2.gz JOHRNSYSCJJOBB-UHFFFAOYSA-N -1 0 387.289 3.700 20 50 GHGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C(=O)[O-])cs2)c1C ZINC000831651424 602182762 /nfs/dbraw/zinc/18/27/62/602182762.db2.gz YPHFZCATQQZCCH-FVTUNSQFSA-N -1 0 387.461 3.618 20 50 GHGDRM CC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1C(C)C ZINC000833400685 605244922 /nfs/dbraw/zinc/24/49/22/605244922.db2.gz MYKZHJIRXNZLNU-UHFFFAOYSA-N -1 0 377.828 3.758 20 50 GHGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNc1cc(C(F)(F)F)ccc1Br ZINC001602853408 971699447 /nfs/dbraw/zinc/69/94/47/971699447.db2.gz UCYLDOADBYZIOT-SNVBAGLBSA-N -1 0 397.191 3.658 20 50 GHGDRM COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)[O-])cc2F)c1C ZINC000737744783 955224946 /nfs/dbraw/zinc/22/49/46/955224946.db2.gz BOXCISUTPFLCPK-RSQQOUAVSA-N -1 0 399.422 3.695 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1 ZINC001594336856 958268825 /nfs/dbraw/zinc/26/88/25/958268825.db2.gz DUHMARCIIMUFPN-HRVJUDJTSA-N -1 0 391.471 3.633 20 50 GHGDRM O=C([O-])[C@H]1C[C@H](NC(=O)NNc2ccccc2C(F)(F)F)c2ccccc21 ZINC001574578411 962090345 /nfs/dbraw/zinc/09/03/45/962090345.db2.gz GXKPEYFZRYOYHD-WFASDCNBSA-N -1 0 379.338 3.645 20 50 GHGDRM O=C([O-])c1cccnc1NNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC001574579171 962097611 /nfs/dbraw/zinc/09/76/11/962097611.db2.gz XOMGDRVWXHGMLM-UHFFFAOYSA-N -1 0 385.326 3.607 20 50 GHGDRM O=C([O-])c1cccnc1NNC(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC001574579370 962098610 /nfs/dbraw/zinc/09/86/10/962098610.db2.gz ZSPUAHHWDJLUPE-UHFFFAOYSA-N -1 0 389.824 3.705 20 50 GHGDRM C=C(C)[C@@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001573321395 962757359 /nfs/dbraw/zinc/75/73/59/962757359.db2.gz LQUPFTXRTLICEH-MRXNPFEDSA-N -1 0 379.338 3.746 20 50 GHGDRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001603575177 973718104 /nfs/dbraw/zinc/71/81/04/973718104.db2.gz IJAKTUGFGLBCDL-LBPRGKRZSA-N -1 0 381.354 3.511 20 50 GHGDRM CC(C)Oc1cccc([C@@H](C)NC(=O)NNc2ccc(C(=O)[O-])cc2F)c1 ZINC001591791986 975992761 /nfs/dbraw/zinc/99/27/61/975992761.db2.gz WMPKCBOHWOUJIS-GFCCVEGCSA-N -1 0 375.400 3.698 20 50 GHGDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001591829676 976094284 /nfs/dbraw/zinc/09/42/84/976094284.db2.gz XMIQCLYBNNDLNL-UHFFFAOYSA-N -1 0 393.396 3.690 20 50 GHGDRM C[C@H](CC(=O)NNc1cc(C(=O)[O-])ccc1Br)c1ccccc1F ZINC001592252247 977482195 /nfs/dbraw/zinc/48/21/95/977482195.db2.gz MKUTYOAXKLXSAK-SNVBAGLBSA-N -1 0 395.228 3.923 20 50 GHGDRM O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1 ZINC000733875879 978300268 /nfs/dbraw/zinc/30/02/68/978300268.db2.gz ZQAJXLGLVUVZDO-UHFFFAOYSA-N -1 0 397.880 3.512 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1-c1ccccc1C ZINC000738756372 978600636 /nfs/dbraw/zinc/60/06/36/978600636.db2.gz LVWDAVPWWCAYEW-LDADJPATSA-N -1 0 379.460 3.631 20 50 GHGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000738922744 978609248 /nfs/dbraw/zinc/60/92/48/978609248.db2.gz LHMUJPPOKWXDSQ-UHFFFAOYSA-N -1 0 395.912 3.699 20 50 GHGDRM C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000794692201 978817095 /nfs/dbraw/zinc/81/70/95/978817095.db2.gz UHXXUDYEIAQZEC-XTCQQWIJSA-N -1 0 387.338 3.930 20 50 GHGDRM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)c2ccccc21 ZINC000849311392 979491909 /nfs/dbraw/zinc/49/19/09/979491909.db2.gz HATCOYRGRWPGEQ-KRWDZBQOSA-N -1 0 393.892 3.625 20 50 GHGDRM CC[C@@H](CNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C)C(=O)[O-] ZINC001595135536 979577139 /nfs/dbraw/zinc/57/71/39/979577139.db2.gz VULMTXADPCFMFZ-MBBOSUJBSA-N -1 0 399.878 3.882 20 50 GHGDRM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001592883799 979763279 /nfs/dbraw/zinc/76/32/79/979763279.db2.gz WYFZKOZXVZSGIG-JTQLQIEISA-N -1 0 384.329 3.865 20 50 GHGDRM CC[C@@H](NC(=O)NNc1ccc(F)c(C(=O)[O-])c1)c1ccccc1OC(F)F ZINC001595251708 980212461 /nfs/dbraw/zinc/21/24/61/980212461.db2.gz COSIHFUYIYVOLY-CQSZACIVSA-N -1 0 397.353 3.903 20 50 GHGDRM CCCC[C@H](CC)CNC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595632806 981861356 /nfs/dbraw/zinc/86/13/56/981861356.db2.gz RKESGKMXNNXGGQ-NSHDSACASA-N -1 0 386.290 3.990 20 50 GHGDRM CCCC[C@@H](NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC001595634126 981883164 /nfs/dbraw/zinc/88/31/64/981883164.db2.gz IFRUOCSVCWCWLL-MJLBXUHQSA-N -1 0 397.450 3.900 20 50 GHGDRM Cc1sc([C@H]2CCCN2C(=O)[C@H](Br)C(C)(C)C)nc1C(=O)[O-] ZINC000910720013 982081792 /nfs/dbraw/zinc/08/17/92/982081792.db2.gz FLWADVKDWAWHEO-KOLCDFICSA-N -1 0 389.315 3.623 20 50 GHGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)c1C ZINC001595801737 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O=C([O-])c1ccc(NNC(=O)COc2ccc(Cl)cc2Cl)cc1Cl ZINC000833764515 605246587 /nfs/dbraw/zinc/24/65/87/605246587.db2.gz KZEAKMAUHMMZRP-UHFFFAOYSA-N -1 0 389.622 3.867 20 50 GHGDRM COc1ccc(/C=C(/C#N)C(=O)O[C@H](C(=O)[O-])c2c(F)cccc2Cl)cc1 ZINC000833731823 605492901 /nfs/dbraw/zinc/49/29/01/605492901.db2.gz DQJATLFMFUXOIR-GKUQOKNUSA-N -1 0 389.766 3.764 20 50 GHGDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833377680 605733976 /nfs/dbraw/zinc/73/39/76/605733976.db2.gz IIDFJQPOPQFLKP-UHFFFAOYSA-N -1 0 380.322 3.725 20 50 GHGDRM CCCOc1c(Cl)cc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1OCC ZINC000833651941 605738526 /nfs/dbraw/zinc/73/85/26/605738526.db2.gz IHMZTPSNBOJWBP-UHFFFAOYSA-N -1 0 392.839 3.983 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N(C)CCCC(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC001600322872 970799086 /nfs/dbraw/zinc/79/90/86/970799086.db2.gz VJHCJFNZTBQWFZ-CPNJWEJPSA-N -1 0 379.460 3.633 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)n1-c1ccccc1C ZINC001594413555 958972875 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383.423 3.510 20 50 GHGDRM O=C([O-])c1ccc(-c2ccc(C=NNC(=O)c3cccc4ncccc43)o2)cc1 ZINC000738678967 978586832 /nfs/dbraw/zinc/58/68/32/978586832.db2.gz LFYMWXMDAYLHGS-UHFFFAOYSA-N -1 0 385.379 3.957 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1-c1ccccc1C ZINC000738756374 978600570 /nfs/dbraw/zinc/60/05/70/978600570.db2.gz LVWDAVPWWCAYEW-PDGQHHTCSA-N -1 0 379.460 3.631 20 50 GHGDRM O=C([O-])c1cc(OC(=O)c2csc(-c3ccc(F)cc3)n2)ccc1[N+](=O)[O-] ZINC000740308699 978675782 /nfs/dbraw/zinc/67/57/82/978675782.db2.gz ZQUXBXMFYNKNRU-UHFFFAOYSA-N -1 0 388.332 3.775 20 50 GHGDRM O=C([O-])c1cc(C=NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c[nH]1 ZINC000814727313 978877734 /nfs/dbraw/zinc/87/77/34/978877734.db2.gz MJOTXLJHFCUCHT-UHFFFAOYSA-N -1 0 397.818 3.709 20 50 GHGDRM CCCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1OCC ZINC001595955021 983143486 /nfs/dbraw/zinc/14/34/86/983143486.db2.gz VVPSSUZKGWGLCE-UHFFFAOYSA-N -1 0 389.360 3.700 20 50 GHGDRM CCCOc1nc2ccccc2cc1/C=C\C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595974818 983204498 /nfs/dbraw/zinc/20/44/98/983204498.db2.gz GLLORXIPTCLBBP-KHPPLWFESA-N -1 0 391.427 3.878 20 50 GHGDRM CCCc1ccc(C(=O)NNc2cc(C(=O)[O-])ccc2Br)s1 ZINC001596060595 983369119 /nfs/dbraw/zinc/36/91/19/983369119.db2.gz MOXJTXUWBKRLFP-UHFFFAOYSA-N -1 0 383.267 3.918 20 50 GHGDRM C[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1cccc(Br)c1 ZINC001589423388 986676765 /nfs/dbraw/zinc/67/67/65/986676765.db2.gz NDWRJBDDIJJZCS-VIFPVBQESA-N -1 0 381.201 3.533 20 50 GHGDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597272624 987322512 /nfs/dbraw/zinc/32/25/12/987322512.db2.gz GTZAHJDYNLOTNM-UHFFFAOYSA-N -1 0 395.824 3.815 20 50 GHGDRM CC(C)(C)[C@H](Br)C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589698518 987780708 /nfs/dbraw/zinc/78/07/08/987780708.db2.gz CRNZSYSHWJYLIJ-GHMZBOCLSA-N -1 0 396.203 3.757 20 50 GHGDRM CCc1ccc(-c2nc(CC(=O)NNc3cccc(C(=O)[O-])c3)cs2)cc1 ZINC001597492012 988023687 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20 50 GHGDRM C[C@H](NC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1 ZINC000825449718 603402946 /nfs/dbraw/zinc/40/29/46/603402946.db2.gz XDWVFXUDIPUJIM-LBPRGKRZSA-N -1 0 382.869 3.597 20 50 GHGDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NNC(=O)CCC1CCCCC1)c1ccccc1 ZINC000826102823 604526931 /nfs/dbraw/zinc/52/69/31/604526931.db2.gz JFYQDXLSZOLATC-SFHVURJKSA-N -1 0 389.496 3.529 20 50 GHGDRM CC(C)(C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000833411381 604802404 /nfs/dbraw/zinc/80/24/04/604802404.db2.gz DVMMIXORSSHHSU-UHFFFAOYSA-N -1 0 375.428 3.868 20 50 GHGDRM CC(C)(C)Cc1nc(-c2ccc(C(=O)NNc3ccccc3C(=O)[O-])cc2)no1 ZINC000833431299 605723496 /nfs/dbraw/zinc/72/34/96/605723496.db2.gz LMHPLMNVQUNVTF-UHFFFAOYSA-N -1 0 394.431 3.780 20 50 GHGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNc1c(Cl)cc(Br)cc1Cl ZINC001589218829 956748542 /nfs/dbraw/zinc/74/85/42/956748542.db2.gz DWBYVMMTENSXEK-ZDUSSCGKSA-N -1 0 396.068 3.700 20 50 GHGDRM Cc1cc(C(=O)[O-])cc(C(=O)NNc2ccc(-c3ccc(Cl)s3)nn2)c1 ZINC001594288501 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C[C@@H](Oc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000794696404 978817738 /nfs/dbraw/zinc/81/77/38/978817738.db2.gz UZBUZVOFNRPYPK-YXHQGMJNSA-N -1 0 391.832 3.530 20 50 GHGDRM COc1ccc(C(=O)NN=C(C)[C@H](C)CCCCC(=O)[O-])cc1Br ZINC000814847335 978892157 /nfs/dbraw/zinc/89/21/57/978892157.db2.gz JJJJUCXKRRSMQF-LLVKDONJSA-N -1 0 399.285 3.845 20 50 GHGDRM CC[C@@H](CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)Oc1cccc(Cl)c1 ZINC001595149960 979637612 /nfs/dbraw/zinc/63/76/12/979637612.db2.gz LEERDDIGSIIQCQ-ZDUSSCGKSA-N -1 0 395.818 3.661 20 50 GHGDRM C[C@H](NC(=O)/C(C#N)=C\c1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)cc1Cl ZINC001592990699 980182477 /nfs/dbraw/zinc/18/24/77/980182477.db2.gz HPAHGXSPEYWWSB-IUIMMGEKSA-N -1 0 392.242 3.814 20 50 GHGDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001595987443 983238829 /nfs/dbraw/zinc/23/88/29/983238829.db2.gz GZFCGBLACKWZIS-UHFFFAOYSA-N -1 0 393.396 3.691 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1C ZINC001596108179 983433379 /nfs/dbraw/zinc/43/33/79/983433379.db2.gz RNPLGVZAKYNNGI-OBXYEHHASA-N -1 0 397.450 3.812 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1C ZINC001596108422 983434214 /nfs/dbraw/zinc/43/42/14/983434214.db2.gz ZLKIJRZLXKKVQH-CEIVTGHSSA-N -1 0 383.492 3.666 20 50 GHGDRM CCOC(=O)Nc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2C)c(Cl)c1 ZINC001596684611 984780361 /nfs/dbraw/zinc/78/03/61/984780361.db2.gz YKOUHQSEMHCQPD-UHFFFAOYSA-N -1 0 391.811 3.672 20 50 GHGDRM CC(C)(C(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC001589574763 987349822 /nfs/dbraw/zinc/34/98/22/987349822.db2.gz KHYMCMNXAISDIX-UHFFFAOYSA-N -1 0 382.338 3.704 20 50 GHGDRM CCc1cc(C(=O)NNc2cccc(F)c2C(=O)[O-])ccc1Br ZINC001597431641 987773414 /nfs/dbraw/zinc/77/34/14/987773414.db2.gz QDGIHQNJWDGCGE-UHFFFAOYSA-N -1 0 381.201 3.606 20 50 GHGDRM CC(C)(C)[C@H](Br)C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589698524 987780810 /nfs/dbraw/zinc/78/08/10/987780810.db2.gz CRNZSYSHWJYLIJ-WDEREUQCSA-N -1 0 396.203 3.757 20 50 GHGDRM CCc1ccc(-c2nc(CC(=O)NNc3cccc(F)c3C(=O)[O-])cs2)cc1 ZINC001597492923 988034749 /nfs/dbraw/zinc/03/47/49/988034749.db2.gz YSPILXORGDDFBK-UHFFFAOYSA-N -1 0 399.447 3.896 20 50 GHGDRM CCc1ccc(C(=O)NNC(=O)Nc2cccc3cc(C(=O)[O-])sc32)cc1 ZINC001597501072 988063596 /nfs/dbraw/zinc/06/35/96/988063596.db2.gz OUYIRJHJXGOBGK-UHFFFAOYSA-N -1 0 383.429 3.628 20 50 GHGDRM CC(C)(C)c1nc(NC(=O)[C@H](Br)C(C)(C)C)sc1C(=O)[O-] ZINC001590542486 990172829 /nfs/dbraw/zinc/17/28/29/990172829.db2.gz WYZHOITUXFJSMI-QMMMGPOBSA-N -1 0 377.304 3.887 20 50 GHGDRM COCc1c(C(=O)NNc2cccc(C(=O)[O-])c2C)sc2cccc(F)c21 ZINC001599279545 996871880 /nfs/dbraw/zinc/87/18/80/996871880.db2.gz YTLDUWCUZIHCNS-UHFFFAOYSA-N -1 0 388.420 3.950 20 50 GHGDRM COc1cc2ccc(C(=O)NNc3ccc(C)c(C(=O)[O-])c3)cc2cc1OC ZINC001599466331 998368615 /nfs/dbraw/zinc/36/86/15/998368615.db2.gz WKWHNCOLRHCVFG-UHFFFAOYSA-N -1 0 380.400 3.621 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC001599375883 998485305 /nfs/dbraw/zinc/48/53/05/998485305.db2.gz HNZVGJUBPPIKPN-SNVBAGLBSA-N -1 0 380.853 3.671 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)NCc2cccc(C(=O)[O-])c2)c(C)n1CC(C)C ZINC000832881382 601927135 /nfs/dbraw/zinc/92/71/35/601927135.db2.gz OWJDRGRRJQDKNJ-KEBDBYFISA-N -1 0 379.460 3.683 20 50 GHGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1C ZINC000831650688 602394859 /nfs/dbraw/zinc/39/48/59/602394859.db2.gz NVJGNWAHVGASEF-MJOIQJIUSA-N -1 0 399.422 3.695 20 50 GHGDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNc1cc(F)c(F)c(F)c1 ZINC000829187860 604004683 /nfs/dbraw/zinc/00/46/83/604004683.db2.gz OWKMCIMFCBXRBS-UHFFFAOYSA-N -1 0 389.717 3.613 20 50 GHGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000833405088 605038831 /nfs/dbraw/zinc/03/88/31/605038831.db2.gz CAWUJMBXSRIHNM-LBPRGKRZSA-N -1 0 385.420 3.765 20 50 GHGDRM CC(C)(C)Cc1nc(-c2cccc(C(=O)NNc3cccc(C(=O)[O-])c3)c2)no1 ZINC000833430722 605732628 /nfs/dbraw/zinc/73/26/28/605732628.db2.gz BEFNVEFXEAEWRN-UHFFFAOYSA-N -1 0 394.431 3.780 20 50 GHGDRM CC(C)(C)OC(=O)Nc1cc(C(=O)NNc2cccc(C(=O)[O-])c2)ccc1F ZINC000833443173 605737112 /nfs/dbraw/zinc/73/71/12/605737112.db2.gz ORRNDOLAGNFPPZ-UHFFFAOYSA-N -1 0 389.383 3.628 20 50 GHGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NNc1cc(C(F)(F)F)ccc1F)C2 ZINC000833987564 606001272 /nfs/dbraw/zinc/00/12/72/606001272.db2.gz JJRJCKHAKRBZIF-CLYYMRHHSA-N -1 0 389.349 3.599 20 50 GHGDRM N#CC(=Cc1cc(Cl)c([O-])cc1Cl)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379277 608217814 /nfs/dbraw/zinc/21/78/14/608217814.db2.gz NSBZWQCPSRINQS-XGICHPGQSA-N -1 0 386.198 3.669 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC001600186783 970775729 /nfs/dbraw/zinc/77/57/29/970775729.db2.gz VYLOAYFBWPHORG-SEJMYLSOSA-N -1 0 385.851 3.634 20 50 GHGDRM C[C@@H](Oc1ccc(C(=O)NNc2ncccc2C(=O)[O-])cc1)c1ccccc1 ZINC001589167307 956431090 /nfs/dbraw/zinc/43/10/90/956431090.db2.gz 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CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001594996245 982898254 /nfs/dbraw/zinc/89/82/54/982898254.db2.gz GIZVICZJKCRTST-CYBMUJFWSA-N -1 0 389.427 3.836 20 50 GHGDRM CCCOc1c(Cl)cc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)cc1OC ZINC001595950053 983118866 /nfs/dbraw/zinc/11/88/66/983118866.db2.gz IYRADAXLIYEXNT-UHFFFAOYSA-N -1 0 392.839 3.901 20 50 GHGDRM CCCc1c(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC001596045400 983333160 /nfs/dbraw/zinc/33/31/60/983333160.db2.gz BEFZUWAIRRMOTO-UHFFFAOYSA-N -1 0 392.459 3.897 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])c1C ZINC001596108242 983433828 /nfs/dbraw/zinc/43/38/28/983433828.db2.gz UAQICOJTWAUCNL-LZAZYHHXSA-N -1 0 393.487 3.924 20 50 GHGDRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)C(C#N)=Cc1cc(C)n(CC(C)C)c1C ZINC001589261480 985922179 /nfs/dbraw/zinc/92/21/79/985922179.db2.gz HWRSOIOBSZUXGZ-APSNUPSMSA-N -1 0 396.447 3.536 20 50 GHGDRM CCOc1ccc(C(F)(F)F)cc1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001597074019 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3.628 20 50 GHGDRM CC(C)[C@@H]1CCc2nc(NC(=O)NNc3cccc(C(=O)[O-])c3F)sc2C1 ZINC001591095622 991682645 /nfs/dbraw/zinc/68/26/45/991682645.db2.gz YCCKMHMEYLLMBK-SNVBAGLBSA-N -1 0 392.456 3.890 20 50 GHGDRM C[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccc(Br)cc1 ZINC001593102439 993743474 /nfs/dbraw/zinc/74/34/74/993743474.db2.gz RVSBETPTFMLGKG-VIFPVBQESA-N -1 0 396.216 3.674 20 50 GHGDRM COc1ccc2c(c1)c(C(=O)NNc1ccccc1C(=O)[O-])c(C)n2C1CC1 ZINC001599632119 994233688 /nfs/dbraw/zinc/23/36/88/994233688.db2.gz MQQFXCIZLWIUDI-UHFFFAOYSA-N -1 0 379.416 3.748 20 50 GHGDRM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001593610603 995802852 /nfs/dbraw/zinc/80/28/52/995802852.db2.gz DVOZKORIZDEWLF-QMMMGPOBSA-N -1 0 387.194 3.741 20 50 GHGDRM C[C@@H](Oc1ccc(C(=O)NNc2cccc(F)c2C(=O)[O-])cn1)c1ccccc1 ZINC001593612338 995814762 /nfs/dbraw/zinc/81/47/62/995814762.db2.gz PUUJQEJWKKLZPJ-CYBMUJFWSA-N -1 0 395.390 3.816 20 50 GHGDRM COc1ccc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)c(OC2CCCC2)c1 ZINC001599484090 996815769 /nfs/dbraw/zinc/81/57/69/996815769.db2.gz PODKTDDNYZEQKT-UHFFFAOYSA-N -1 0 388.395 3.611 20 50 GHGDRM COc1cc([C@H](C)NC(=O)NNc2cccc(C(=O)[O-])c2)cc2ccccc21 ZINC001599389168 997001507 /nfs/dbraw/zinc/00/15/07/997001507.db2.gz XYYGFDBDAKDHGS-ZDUSSCGKSA-N -1 0 379.416 3.934 20 50 GHGDRM COc1cc(C2(C(=O)NNc3ccc(CC(=O)[O-])cc3)CCCC2)ccc1C ZINC001599395428 997116450 /nfs/dbraw/zinc/11/64/50/997116450.db2.gz FSWDRCIYPGZMIB-UHFFFAOYSA-N -1 0 382.460 3.586 20 50 GHGDRM CC1(c2ccccc2)CCC(NC(=O)NNc2ccc(CC(=O)[O-])cc2)CC1 ZINC001594079923 997976231 /nfs/dbraw/zinc/97/62/31/997976231.db2.gz ZJCNUVQUSOABFL-UHFFFAOYSA-N -1 0 381.476 3.840 20 50 GHGDRM COCCOc1c(Cl)cccc1NC(=O)NNc1cccc(C(=O)[O-])c1C ZINC001599252540 998256572 /nfs/dbraw/zinc/25/65/72/998256572.db2.gz NXHWGZJUNJQNDJ-UHFFFAOYSA-N -1 0 393.827 3.520 20 50 GHGDRM COc1ccc(-c2nc(C(=O)NNc3ccc(C)c(C(=O)[O-])c3)cs2)cc1 ZINC001599469850 998431783 /nfs/dbraw/zinc/43/17/83/998431783.db2.gz TXGXAQBJEGQUCS-UHFFFAOYSA-N -1 0 383.429 3.582 20 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602107740 /nfs/dbraw/zinc/10/77/40/602107740.db2.gz ZJQSFLIOGQKAMO-GYBQTFJISA-N -1 0 395.440 3.930 20 50 GHGDRM C[C@H](C(=O)NNc1ccc(Br)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823703994 603453747 /nfs/dbraw/zinc/45/37/47/603453747.db2.gz QUAUWGBMDWCGRQ-NHYWBVRUSA-N -1 0 392.253 3.537 20 50 GHGDRM C[C@H](CSCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000827582132 604825786 /nfs/dbraw/zinc/82/57/86/604825786.db2.gz ZDYDRVZCDZNRBZ-GFCCVEGCSA-N -1 0 375.402 3.768 20 50 GHGDRM CCCc1c(C(=O)NNc2ccc(Br)cc2C)[nH]c(C)c1C(=O)[O-] ZINC000833652783 604939541 /nfs/dbraw/zinc/93/95/41/604939541.db2.gz HOMTWASXUKLSPH-UHFFFAOYSA-N -1 0 394.269 3.802 20 50 GHGDRM CC(C)(C)Oc1c(F)cc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1F ZINC000833445448 605240843 /nfs/dbraw/zinc/24/08/43/605240843.db2.gz HLRVKNWAABZORA-UHFFFAOYSA-N -1 0 379.363 3.989 20 50 GHGDRM Cc1c(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cnn1-c1cccc(C)c1 ZINC000833751958 605246511 /nfs/dbraw/zinc/24/65/11/605246511.db2.gz BPDOALHPFIZPAZ-UHFFFAOYSA-N -1 0 384.823 3.598 20 50 GHGDRM CC(C)Cn1ncc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1C(F)F ZINC000833493607 605248865 /nfs/dbraw/zinc/24/88/65/605248865.db2.gz HKFQLBVYUICTEN-UHFFFAOYSA-N -1 0 386.786 3.585 20 50 GHGDRM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833446766 605710254 /nfs/dbraw/zinc/71/02/54/605710254.db2.gz HRGVMPHJQLPYGG-MHZLTWQESA-N -1 0 389.477 3.581 20 50 GHGDRM C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NNc1ccccc1C(=O)[O-] ZINC000833635071 605721731 /nfs/dbraw/zinc/72/17/31/605721731.db2.gz QTPMGWVTJDSQAY-CQSZACIVSA-N -1 0 391.427 3.686 20 50 GHGDRM CC(=O)CCc1ccc2oc(C(=O)NNc3cccc(C(=O)[O-])c3)c(C)c2c1 ZINC000833387869 605734145 /nfs/dbraw/zinc/73/41/45/605734145.db2.gz BWEAALMDUBEMAC-UHFFFAOYSA-N -1 0 380.400 3.718 20 50 GHGDRM O=C([O-])c1cccnc1NNC(=O)c1sc2ccccc2c1Br ZINC001595262162 949682498 /nfs/dbraw/zinc/68/24/98/949682498.db2.gz SSATWCDNVPZBRQ-UHFFFAOYSA-N -1 0 392.234 3.514 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c(C)n1-c1ccccc1F ZINC001594300361 957898904 /nfs/dbraw/zinc/89/89/04/957898904.db2.gz HFXFANZCDQMESS-YOZJQLQOSA-N -1 0 395.434 3.510 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)n1-c1cccc(Cl)c1 ZINC001594300757 957904715 /nfs/dbraw/zinc/90/47/15/957904715.db2.gz BYLCTFMNEOEWQK-MBBOSUJBSA-N -1 0 397.862 3.588 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c(C)n1CC(C)C ZINC001594301208 957912198 /nfs/dbraw/zinc/91/21/98/957912198.db2.gz PEUUEKCHJUJZDU-FHTAPLDASA-N -1 0 379.460 3.610 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c(C)n1CCC(C)C ZINC001594301326 957915918 /nfs/dbraw/zinc/91/59/18/957915918.db2.gz XCEPFZOUNTUEKT-ZMRLWYNFSA-N -1 0 385.508 3.627 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)NCC2(C(=O)[O-])CCC2)c(C)n1-c1cccc(C)c1 ZINC001594386571 958679366 /nfs/dbraw/zinc/67/93/66/958679366.db2.gz NBQPNJDRCFDDIP-XDHOZWIPSA-N -1 0 391.471 3.681 20 50 GHGDRM CCOc1c(Br)cc(Br)cc1/C=C(/C#N)C(=O)[O-] ZINC000211380038 959682219 /nfs/dbraw/zinc/68/22/19/959682219.db2.gz SAEBOGANEYKUQN-BAQGIRSFSA-N -1 0 375.016 3.602 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)NC2(C(=O)[O-])CCCC2)c(C)n1-c1ccc(F)cc1 ZINC001574326417 960859332 /nfs/dbraw/zinc/85/93/32/960859332.db2.gz PEBWNUXBZFWCEA-SFQUDFHCSA-N -1 0 395.434 3.654 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)NC[C@@H](C(=O)[O-])C(C)C)c(C)n1-c1ccccc1F ZINC001605164478 972858194 /nfs/dbraw/zinc/85/81/94/972858194.db2.gz RLLFZZIJHMBCFV-WAFWZSCLSA-N -1 0 397.450 3.613 20 50 GHGDRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001603575176 973718580 /nfs/dbraw/zinc/71/85/80/973718580.db2.gz IJAKTUGFGLBCDL-GFCCVEGCSA-N -1 0 381.354 3.511 20 50 GHGDRM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001592436750 978076691 /nfs/dbraw/zinc/07/66/91/978076691.db2.gz DORUTSQKTFKDFQ-JTQLQIEISA-N -1 0 378.787 3.530 20 50 GHGDRM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001592436751 978076900 /nfs/dbraw/zinc/07/69/00/978076900.db2.gz DORUTSQKTFKDFQ-SNVBAGLBSA-N -1 0 378.787 3.530 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1C ZINC000737050750 978376030 /nfs/dbraw/zinc/37/60/30/978376030.db2.gz OPAJMNINJQRCCM-VXLYETTFSA-N -1 0 377.444 3.663 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC000737051144 978376071 /nfs/dbraw/zinc/37/60/71/978376071.db2.gz QCNSZFHHDWQAJR-GTENMVSRSA-N -1 0 384.407 3.930 20 50 GHGDRM COc1ccc2c(c1)CCC[C@H]2CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738073536 978473554 /nfs/dbraw/zinc/47/35/54/978473554.db2.gz FKJGSZWAPQRLFB-ZDUSSCGKSA-N -1 0 385.372 3.717 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)NC(C)(C)CC(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000738378322 978528254 /nfs/dbraw/zinc/52/82/54/978528254.db2.gz FBNUMLOODQVALC-MHWRWJLKSA-N -1 0 383.423 3.510 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)Nc2ccsc2C(=O)[O-])c(C)n1C[C@H]1CCCO1 ZINC000738378765 978529096 /nfs/dbraw/zinc/52/90/96/978529096.db2.gz JBEZXQJIZUJCNW-HTRKUNOGSA-N -1 0 399.472 3.589 20 50 GHGDRM CC(=NNC(=O)c1ccc(Br)s1)[C@@H](C)CCCCC(=O)[O-] ZINC000814759448 978882376 /nfs/dbraw/zinc/88/23/76/978882376.db2.gz COCNPSHSFYIBCJ-VIFPVBQESA-N -1 0 375.288 3.897 20 50 GHGDRM CCOc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(C(=O)[O-])cn1 ZINC000833661236 979217149 /nfs/dbraw/zinc/21/71/49/979217149.db2.gz MQZDSSBXXKDOHF-UHFFFAOYSA-N -1 0 383.429 3.664 20 50 GHGDRM CCC(CC)(CC)CNC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001595058009 979305564 /nfs/dbraw/zinc/30/55/64/979305564.db2.gz ZNWNAUGGUCIYHL-UHFFFAOYSA-N -1 0 386.290 3.990 20 50 GHGDRM C[C@@H](Cc1ccc(NC(=O)NNC(=O)c2cccc3ccccc32)cc1)C(=O)[O-] ZINC001592871424 979723809 /nfs/dbraw/zinc/72/38/09/979723809.db2.gz FCKMEITZVQOCDO-AWEZNQCLSA-N -1 0 391.427 3.570 20 50 GHGDRM C[C@H](NC(=O)/C(C#N)=C/c1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)cc1Cl ZINC001592990701 980182436 /nfs/dbraw/zinc/18/24/36/980182436.db2.gz HPAHGXSPEYWWSB-YIVIPITNSA-N -1 0 392.242 3.814 20 50 GHGDRM C=C(C)C[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C)C(=O)[O-] ZINC001588536424 983593844 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CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001598314286 991295000 /nfs/dbraw/zinc/29/50/00/991295000.db2.gz LUQGTGUSENJNOH-UHFFFAOYSA-N -1 0 396.369 3.547 20 50 GHGDRM CN(NC(=O)OCc1ccccc1)[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598541953 992912136 /nfs/dbraw/zinc/91/21/36/992912136.db2.gz UBTZNXHWXKQBNC-OAHLLOKOSA-N -1 0 382.338 3.604 20 50 GHGDRM C[C@@H](Sc1nc2ccccc2s1)C(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001593679518 996100912 /nfs/dbraw/zinc/10/09/12/996100912.db2.gz LHFQSWMTXJVAPZ-SECBINFHSA-N -1 0 391.449 3.758 20 50 GHGDRM CC1(C)C[C@H](NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)c2ccc(F)cc2O1 ZINC001593859181 996648685 /nfs/dbraw/zinc/64/86/85/996648685.db2.gz ONNIKEKPMDEWST-HNNXBMFYSA-N -1 0 391.374 3.592 20 50 GHGDRM COc1cc(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)ccc1C(F)(F)F ZINC001599439506 997907629 /nfs/dbraw/zinc/90/76/29/997907629.db2.gz CYTITOKATLCOGR-UHFFFAOYSA-N -1 0 387.289 3.700 20 50 GHGDRM O=C([O-])[C@H](NNC(=O)CCCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000833098544 600747349 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CCC[C@](C)(NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)[O-] ZINC001595546057 981407040 /nfs/dbraw/zinc/40/70/40/981407040.db2.gz FJIOMZRTWCAKFS-SJAXDAAESA-N -1 0 397.450 3.900 20 50 GHGDRM CC(C)(C)[C@@H](Br)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911597997 982529814 /nfs/dbraw/zinc/52/98/14/982529814.db2.gz NILQWRCIYREXNB-HNNXBMFYSA-N -1 0 397.313 3.597 20 50 GHGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1C ZINC001595804020 982627216 /nfs/dbraw/zinc/62/72/16/982627216.db2.gz YSALPYMULQRKLU-YNGKYYQNSA-N -1 0 385.508 3.915 20 50 GHGDRM CCCOc1nc2ccccc2cc1/C=C\C(=O)NNc1ccccc1C(=O)[O-] ZINC001595974872 983205325 /nfs/dbraw/zinc/20/53/25/983205325.db2.gz JASSJTFRBYYIIL-QXMHVHEDSA-N -1 0 391.427 3.878 20 50 GHGDRM C/C(=C\c1ccc(F)cc1)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001588999382 984937882 /nfs/dbraw/zinc/93/78/82/984937882.db2.gz SYVAFFCWODVNTM-CSKARUKUSA-N -1 0 393.212 3.833 20 50 GHGDRM CCc1c(C(=O)NNc2cccc(C(=O)[O-])c2C)cnn1-c1ccccc1C ZINC001597410636 987694772 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ZINC000829579080 601821619 /nfs/dbraw/zinc/82/16/19/601821619.db2.gz CLHWQOKFSVADSO-QMDZLVRISA-N -1 0 383.423 3.503 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c(C)n1CC(C)C ZINC000832881000 601821856 /nfs/dbraw/zinc/82/18/56/601821856.db2.gz JLJBNAJJIYNBJT-OTJDAXFFSA-N -1 0 397.450 3.749 20 50 GHGDRM C[C@@H](C(=O)NNc1ccc(Br)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823703982 603453828 /nfs/dbraw/zinc/45/38/28/603453828.db2.gz QUAUWGBMDWCGRQ-ABAIWWIYSA-N -1 0 392.253 3.537 20 50 GHGDRM CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000827428803 604446986 /nfs/dbraw/zinc/44/69/86/604446986.db2.gz XXJNXLGDEKQXQE-VUFYJBQKSA-N -1 0 393.443 3.637 20 50 GHGDRM CN(C(=O)[O-])c1ccc(NC(=O)NNc2ccc(F)cc2Br)cc1 ZINC000833685307 604730957 /nfs/dbraw/zinc/73/09/57/604730957.db2.gz KLMXAXWAEPWICQ-UHFFFAOYSA-N -1 0 397.204 3.851 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1C ZINC000833652584 604814448 /nfs/dbraw/zinc/81/44/48/604814448.db2.gz 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CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1C ZINC001589694900 950157130 /nfs/dbraw/zinc/15/71/30/950157130.db2.gz SBTLFFWCYXCKCY-ZAVKOYKVSA-N -1 0 379.460 3.538 20 50 GHGDRM O=C([O-])c1cccnc1NNC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC001594702451 956813687 /nfs/dbraw/zinc/81/36/87/956813687.db2.gz FFJSKJQNNCAEQE-UHFFFAOYSA-N -1 0 397.818 3.622 20 50 GHGDRM COc1ccccc1Oc1ccc(NC(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001594150348 958787488 /nfs/dbraw/zinc/78/74/88/958787488.db2.gz FTTKXIKIEZEIDR-UHFFFAOYSA-N -1 0 394.387 3.729 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N(CC(=O)[O-])C(C)C)c(C)n1-c1ccccc1C ZINC001605351536 973259995 /nfs/dbraw/zinc/25/99/95/973259995.db2.gz SMBBVZSMSCCVCT-YBFXNURJSA-N -1 0 379.460 3.631 20 50 GHGDRM CC(C)CCOc1ccc(C(=O)NN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736432302 978335316 /nfs/dbraw/zinc/33/53/16/978335316.db2.gz YEWHRPRHBBQFAB-SFHVURJKSA-N -1 0 390.867 3.825 20 50 GHGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000737003708 978372029 /nfs/dbraw/zinc/37/20/29/978372029.db2.gz IOYAAVLQOPMIFK-NNVROAHOSA-N -1 0 393.487 3.797 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1C ZINC000737050749 978376409 /nfs/dbraw/zinc/37/64/09/978376409.db2.gz OPAJMNINJQRCCM-GRSHGNNSSA-N -1 0 377.444 3.663 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1C ZINC000737051846 978377077 /nfs/dbraw/zinc/37/70/77/978377077.db2.gz ZHONCEGAZNSAAY-DTBYZMGXSA-N -1 0 379.460 3.706 20 50 GHGDRM Cc1c(Cl)cccc1NNC(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000738290791 978512853 /nfs/dbraw/zinc/51/28/53/978512853.db2.gz KLCXCYPINDUILL-UHFFFAOYSA-N -1 0 391.855 3.718 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000738378542 978529244 /nfs/dbraw/zinc/52/92/44/978529244.db2.gz IQNGZWNWUUPGCL-OVCORXIESA-N -1 0 398.507 3.776 20 50 GHGDRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738602226 978570648 /nfs/dbraw/zinc/57/06/48/978570648.db2.gz KSDKYAXFSRFYKF-JTQLQIEISA-N -1 0 379.752 3.628 20 50 GHGDRM O=C([O-])c1cc(OC(=O)C[C@@H](c2ccccc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000739217685 978621550 /nfs/dbraw/zinc/62/15/50/978621550.db2.gz ZNWIFSGACMALRG-ZDUSSCGKSA-N -1 0 383.278 3.935 20 50 GHGDRM O=C([O-])c1ccc(COc2ccccc2C=NNC(=O)Cc2ccsc2)cc1 ZINC000739349571 978631963 /nfs/dbraw/zinc/63/19/63/978631963.db2.gz PKMHDTVGUHBWDO-UHFFFAOYSA-N -1 0 394.452 3.718 20 50 GHGDRM O=C([O-])[C@H](NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc(F)cc1 ZINC000739453039 978636139 /nfs/dbraw/zinc/63/61/39/978636139.db2.gz AQGWVHGOXTZHKX-QGZVFWFLSA-N -1 0 388.395 3.754 20 50 GHGDRM O=C([O-])c1cc(OC(=O)c2ccc(C3SCCS3)cc2)ccc1[N+](=O)[O-] ZINC000740306521 978674452 /nfs/dbraw/zinc/67/44/52/978674452.db2.gz BMMQHZXPGJCRLE-UHFFFAOYSA-N -1 0 391.426 3.991 20 50 GHGDRM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001592839037 979594108 /nfs/dbraw/zinc/59/41/08/979594108.db2.gz KMPCIWCSTSNZEE-SNVBAGLBSA-N -1 0 395.228 3.608 20 50 GHGDRM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001592883207 979757980 /nfs/dbraw/zinc/75/79/80/979757980.db2.gz MZAXEYAIYUNBOA-NSHDSACASA-N -1 0 382.338 3.605 20 50 GHGDRM C[C@H](Cc1cccc(F)c1)C(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001592884769 979765558 /nfs/dbraw/zinc/76/55/58/979765558.db2.gz AVNHTFMVMCYZKJ-SNVBAGLBSA-N -1 0 395.228 3.608 20 50 GHGDRM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592892145 979789819 /nfs/dbraw/zinc/78/98/19/979789819.db2.gz WEBNPQOARHLWPB-SNVBAGLBSA-N -1 0 399.344 3.800 20 50 GHGDRM C[C@](NC(=O)CCCC[C@@H]1CCSS1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593015895 980264501 /nfs/dbraw/zinc/26/45/01/980264501.db2.gz WBSBQFVHHXTRNN-RHSMWYFYSA-N -1 0 398.506 3.725 20 50 GHGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(CC(=O)[O-])cc2)c1C ZINC001595803892 982626421 /nfs/dbraw/zinc/62/64/21/982626421.db2.gz VUYBKDWWIBCLEU-FYJGNVAPSA-N -1 0 393.487 3.756 20 50 GHGDRM CCCCn1c(C)cc(C=C(C#N)C(=O)Nc2[nH]c(C(=O)[O-])cc2C(C)=O)c1C ZINC001595803975 982627093 /nfs/dbraw/zinc/62/70/93/982627093.db2.gz XUJMRDVYXFYUGX-SXGWCWSVSA-N -1 0 396.447 3.680 20 50 GHGDRM CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC001597081637 986627431 /nfs/dbraw/zinc/62/74/31/986627431.db2.gz MRYSIYQKFCGUNG-SKTWIKFTSA-N -1 0 399.830 3.885 20 50 GHGDRM CCOc1ccccc1Oc1ccccc1C(=O)NNc1ccc(C(=O)[O-])cn1 ZINC001597185360 987048090 /nfs/dbraw/zinc/04/80/90/987048090.db2.gz OUDDOTDTWKODDN-UHFFFAOYSA-N -1 0 393.399 3.728 20 50 GHGDRM CC(C)(C(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccccc1Br ZINC001589574728 987348688 /nfs/dbraw/zinc/34/86/88/987348688.db2.gz HVQHNWSIXUOSPY-UHFFFAOYSA-N -1 0 395.228 3.707 20 50 GHGDRM CC(C)(C(=O)[O-])[C@H](NC(=O)NNc1c(F)cc(F)cc1F)c1ccccc1 ZINC001589597918 987417707 /nfs/dbraw/zinc/41/77/07/987417707.db2.gz DSJWIFMVRRTDJD-OAHLLOKOSA-N -1 0 381.354 3.582 20 50 GHGDRM CC(C)(C)c1ccc(NNC(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)cc1 ZINC001590493278 990095013 /nfs/dbraw/zinc/09/50/13/990095013.db2.gz ILOMYFNTMQADJO-LLVKDONJSA-N -1 0 388.493 3.779 20 50 GHGDRM CC(C)(C)c1cccc(OCCNC(=O)NNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001590498558 990108378 /nfs/dbraw/zinc/10/83/78/990108378.db2.gz BHTMWDBUTHWDHF-UHFFFAOYSA-N -1 0 389.427 3.527 20 50 GHGDRM CN(C)N(C(=O)/C=C/c1ccc(F)c2ccccc12)c1nc(CC(=O)[O-])cs1 ZINC001598256890 991068362 /nfs/dbraw/zinc/06/83/62/991068362.db2.gz XCQVBZYSRGMETA-CSKARUKUSA-N -1 0 399.447 3.586 20 50 GHGDRM CN(CCO[Si](C)(C)C(C)(C)C)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598498503 992395316 /nfs/dbraw/zinc/39/53/16/992395316.db2.gz ZLDYHVWSNWOXMI-CQSZACIVSA-N -1 0 398.601 3.505 20 50 GHGDRM CC(C)COc1ccc(C(C)(C)C(=O)NNc2ccc(C(=O)[O-])cc2F)cc1 ZINC001591396357 992458935 /nfs/dbraw/zinc/45/89/35/992458935.db2.gz BTGQBFASZKZIKG-UHFFFAOYSA-N -1 0 388.439 3.980 20 50 GHGDRM COc1ccc(SCCCC(=O)NNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001599619154 994057388 /nfs/dbraw/zinc/05/73/88/994057388.db2.gz FRRSBBVBGOFLCN-UHFFFAOYSA-N -1 0 378.425 3.548 20 50 GHGDRM COc1cc(C)c(Br)cc1C(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001599389621 997009539 /nfs/dbraw/zinc/00/95/39/997009539.db2.gz MOUHVIRYFQHGLG-UHFFFAOYSA-N -1 0 393.237 3.530 20 50 GHGDRM C[C@]1(CNC(=O)Nc2cccc3cc(C(=O)[O-])sc32)C[C@@H]1Br ZINC001594021200 997538916 /nfs/dbraw/zinc/53/89/16/997538916.db2.gz CKYVWVDULXQHRG-XHDPSFHLSA-N -1 0 383.267 3.895 20 50 GHGDRM COCCCC[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC001599224048 997724849 /nfs/dbraw/zinc/72/48/49/997724849.db2.gz NIXWXYSVMZOZNT-LJQANCHMSA-N -1 0 385.464 3.877 20 50 GHGDRM COc1cc(OC)cc([C@H](C(=O)[O-])N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1 ZINC001599450894 998097165 /nfs/dbraw/zinc/09/71/65/998097165.db2.gz NOBIVDYWTWQWLB-MAUKXSAKSA-N -1 0 395.572 3.926 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)C(C)(C)c1ccc2ccccc2c1 ZINC001599375768 998482881 /nfs/dbraw/zinc/48/28/81/998482881.db2.gz FQKBULAYAHMREF-UHFFFAOYSA-N -1 0 378.428 3.968 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001599376417 998493730 /nfs/dbraw/zinc/49/37/30/998493730.db2.gz MIZJSWZVOBCTPM-UHFFFAOYSA-N -1 0 388.729 3.823 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc(-c2ccccc2)nc1C ZINC001599376930 998501753 /nfs/dbraw/zinc/50/17/53/998501753.db2.gz WPBWJWMQHNETDA-UHFFFAOYSA-N -1 0 377.400 3.521 20 50 GHGDRM CC(C)(C(=O)NN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000826081304 600748570 /nfs/dbraw/zinc/74/85/70/600748570.db2.gz NHNBYQPPCKFHPI-HNNXBMFYSA-N -1 0 381.259 3.718 20 50 GHGDRM Cc1ccc(F)c(NNC(=O)c2ccc3c(ccn3CCCNC(=O)[O-])c2)c1 ZINC000830332870 604413580 /nfs/dbraw/zinc/41/35/80/604413580.db2.gz GDLMIBPMHNHABV-UHFFFAOYSA-N -1 0 384.411 3.503 20 50 GHGDRM COc1ccc(NNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1Cl ZINC000833733275 605244473 /nfs/dbraw/zinc/24/44/73/605244473.db2.gz KVIRNEANAAGHKH-JTQLQIEISA-N -1 0 380.853 3.671 20 50 GHGDRM N#Cc1cc(Cl)nc(NNC(=O)c2cc3ccccc3cc2NC(=O)[O-])c1 ZINC000833974699 605548121 /nfs/dbraw/zinc/54/81/21/605548121.db2.gz NMGVINMCBRLSQU-UHFFFAOYSA-N -1 0 381.779 3.607 20 50 GHGDRM O=C([O-])Nc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000834258548 605737999 /nfs/dbraw/zinc/73/79/99/605737999.db2.gz YAHNHKHKKKEEIG-UHFFFAOYSA-N -1 0 385.163 3.748 20 50 GHGDRM CCc1cc(Br)ccc1NNC(=O)NCc1ccccc1C(=O)[O-] ZINC001593628561 953574207 /nfs/dbraw/zinc/57/42/07/953574207.db2.gz NJLFZMVNBKIKIP-UHFFFAOYSA-N -1 0 392.253 3.536 20 50 GHGDRM COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)[O-])cc2F)c1C ZINC000737744781 955225034 /nfs/dbraw/zinc/22/50/34/955225034.db2.gz BOXCISUTPFLCPK-QOSBVPTNSA-N -1 0 399.422 3.695 20 50 GHGDRM C=C(C)[C@H](NC(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC001573321650 962760670 /nfs/dbraw/zinc/76/06/70/962760670.db2.gz OXYYYCIVSBKMCH-INIZCTEOSA-N -1 0 379.338 3.746 20 50 GHGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001603320418 972634995 /nfs/dbraw/zinc/63/49/95/972634995.db2.gz FQTLSRDGVHIDIR-ZDUSSCGKSA-N -1 0 384.276 3.668 20 50 GHGDRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)NNc3ncccc3C(=O)[O-])c2c1 ZINC001605152789 972838403 /nfs/dbraw/zinc/83/84/03/972838403.db2.gz CQUKVNRNXONGQF-UHFFFAOYSA-N -1 0 376.416 3.579 20 50 GHGDRM COc1cc(Oc2ccccc2)ccc1NC(=O)NNc1ncccc1C(=O)[O-] ZINC001604738914 973947922 /nfs/dbraw/zinc/94/79/22/973947922.db2.gz FUOVOIAUKYWDOO-UHFFFAOYSA-N -1 0 394.387 3.729 20 50 GHGDRM CC(C)c1cc(NC(=O)NNc2cccc(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC001591934788 976445266 /nfs/dbraw/zinc/44/52/66/976445266.db2.gz FQGNRVHRAJGBFX-UHFFFAOYSA-N -1 0 379.420 3.843 20 50 GHGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1C ZINC000737049583 978375289 /nfs/dbraw/zinc/37/52/89/978375289.db2.gz BIYKSUVYCRKRNG-XGHXRCDJSA-N -1 0 377.444 3.637 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)c1C ZINC000737051230 978377410 /nfs/dbraw/zinc/37/74/10/978377410.db2.gz RUZIEXFOZSGGEH-HNLWVNFGSA-N -1 0 393.487 3.715 20 50 GHGDRM COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(F)c2C(=O)[O-])c1C ZINC000737747492 978441414 /nfs/dbraw/zinc/44/14/14/978441414.db2.gz NYCQCQUNEAZASN-WFSQQTBHSA-N -1 0 399.422 3.695 20 50 GHGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@](C)(C(=O)[O-])C2CC2)c(C)n1-c1ccc(C)cc1 ZINC000738498196 978548058 /nfs/dbraw/zinc/54/80/58/978548058.db2.gz NHBNOQOVXYAFRR-QRKROWPFSA-N -1 0 391.471 3.679 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)NC(C)(C)CC(=O)[O-])c(C)n1-c1ccccc1C ZINC000738756680 978600598 /nfs/dbraw/zinc/60/05/98/978600598.db2.gz OGJBWTBKOBEJHX-WOJGMQOQSA-N -1 0 379.460 3.679 20 50 GHGDRM Cc1nc2ccccc2c(C)c1CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738876157 978606517 /nfs/dbraw/zinc/60/65/17/978606517.db2.gz VQCWSVCTBONIMT-UHFFFAOYSA-N -1 0 380.356 3.606 20 50 GHGDRM O=C([O-])c1cc(OC(=O)c2ccc(Oc3cccnc3)cc2)ccc1[N+](=O)[O-] ZINC000740308541 978675284 /nfs/dbraw/zinc/67/52/84/978675284.db2.gz VUPNJTMWKKFHEH-UHFFFAOYSA-N -1 0 380.312 3.700 20 50 GHGDRM N#C/C(=C/c1ccc(OCC(=O)[O-])cc1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000780374587 978790412 /nfs/dbraw/zinc/79/04/12/978790412.db2.gz NBECLJWZCWZOCV-ZSOIEALJSA-N -1 0 375.302 3.959 20 50 GHGDRM C[C@H](CNC(=O)NNc1ccc(C(=O)[O-])cc1F)c1ccc(C(F)(F)F)cc1 ZINC001592676797 979099127 /nfs/dbraw/zinc/09/91/27/979099127.db2.gz YZPZHMCNLHTMSM-SNVBAGLBSA-N -1 0 399.344 3.973 20 50 GHGDRM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NNc1ccccc1C(=O)[O-] ZINC001592839304 979595826 /nfs/dbraw/zinc/59/58/26/979595826.db2.gz LMUKMOFLPPHAPE-JTQLQIEISA-N -1 0 395.228 3.608 20 50 GHGDRM CC[C@H](NC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1OC(F)F ZINC001595253707 980234323 /nfs/dbraw/zinc/23/43/23/980234323.db2.gz XYGIMCVFLRGAKQ-AWEZNQCLSA-N -1 0 397.353 3.903 20 50 GHGDRM CC[C@]1(C)Oc2ccc(NC(=O)NNc3cccc(C(=O)[O-])c3F)cc2O1 ZINC001595371442 980850755 /nfs/dbraw/zinc/85/07/55/980850755.db2.gz DPUXCJZKEXLVAR-GOSISDBHSA-N -1 0 375.356 3.570 20 50 GHGDRM CC[C@]1(C)Oc2ccc(NC(=O)NNc3ccc(C(=O)[O-])cc3F)cc2O1 ZINC001595371923 980856128 /nfs/dbraw/zinc/85/61/28/980856128.db2.gz RSPLFXFJWOFIJS-GOSISDBHSA-N -1 0 375.356 3.570 20 50 GHGDRM CC(C)(C)[C@H](Br)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911597998 982529975 /nfs/dbraw/zinc/52/99/75/982529975.db2.gz 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CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1C ZINC000829579708 601073795 /nfs/dbraw/zinc/07/37/95/601073795.db2.gz KUGMDNPONPSDDL-KZIRBZLESA-N -1 0 384.407 3.930 20 50 GHGDRM Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000832880788 601654817 /nfs/dbraw/zinc/65/48/17/601654817.db2.gz HOEQGSQRUGXYJA-RKPWUKJMSA-N -1 0 387.455 3.542 20 50 GHGDRM CC(C)(C(=O)[O-])[C@H](NC(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000826103755 604524333 /nfs/dbraw/zinc/52/43/33/604524333.db2.gz WFFUTVOKEOFKGF-OAHLLOKOSA-N -1 0 381.354 3.582 20 50 GHGDRM CC(=O)c1ccc(Oc2ccc(C(=O)NNc3ccc(C(=O)[O-])cn3)cc2)cc1 ZINC000833401437 604915764 /nfs/dbraw/zinc/91/57/64/604915764.db2.gz LGZRQTDOBOSNOC-UHFFFAOYSA-N -1 0 391.383 3.532 20 50 GHGDRM O=C([O-])Nc1cc(C(=O)NNc2ccc(F)cc2Br)ccc1F ZINC000834252970 605718253 /nfs/dbraw/zinc/71/82/53/605718253.db2.gz AUWXSSJMUFRGGJ-UHFFFAOYSA-N -1 0 386.152 3.574 20 50 GHGDRM C[C@@H](Sc1ccc(Br)cc1)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833546409 605722007 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393.212 3.833 20 50 GHGDRM CCOc1cc(/C=C(\C#N)c2ccncn2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597032778 986458031 /nfs/dbraw/zinc/45/80/31/986458031.db2.gz RQXWADCYBMKUMY-OQLLNIDSSA-N -1 0 391.383 3.810 20 50 GHGDRM CCc1ccc(Br)cc1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001597495454 988043365 /nfs/dbraw/zinc/04/33/65/988043365.db2.gz WZLMZVLZNLDHDW-UHFFFAOYSA-N -1 0 381.201 3.606 20 50 GHGDRM CSc1cc(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)ccc1Br ZINC001599806521 988264434 /nfs/dbraw/zinc/26/44/34/988264434.db2.gz IGHXEECDNLKQKY-UHFFFAOYSA-N -1 0 399.241 3.765 20 50 GHGDRM CSc1nc2ccc(NC(=O)NNc3ccc(CC(=O)[O-])cc3)cc2s1 ZINC001599828418 988633639 /nfs/dbraw/zinc/63/36/39/988633639.db2.gz QLXXZCZVKXKBRB-UHFFFAOYSA-N -1 0 388.474 3.794 20 50 GHGDRM CN(c1ccccc1)c1ccccc1C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001598545245 992937943 /nfs/dbraw/zinc/93/79/43/992937943.db2.gz XGGMCCZFQPZPJL-UHFFFAOYSA-N -1 0 375.428 3.839 20 50 GHGDRM C[C@H](NC(=O)NNc1c(Cl)cc(F)cc1Cl)c1ncc(C(=O)[O-])s1 ZINC001593101916 993739842 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20 50 GHGDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)NNc1ccc(C(C)(C)C)cc1 ZINC001599365808 998333030 /nfs/dbraw/zinc/33/30/30/998333030.db2.gz VDLPXIUZBDLMNK-UHFFFAOYSA-N -1 0 385.464 3.560 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc(Br)c(Cl)c1 ZINC001599375866 998484836 /nfs/dbraw/zinc/48/48/36/998484836.db2.gz DCELVGKXCKEBLA-UHFFFAOYSA-N -1 0 399.628 3.566 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cc(C)cc(C)c1Br ZINC001599377015 998503258 /nfs/dbraw/zinc/50/32/58/998503258.db2.gz YIMYQUFLYSLDNF-UHFFFAOYSA-N -1 0 393.237 3.530 20 50 GHGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC001599377428 998509621 /nfs/dbraw/zinc/50/96/21/998509621.db2.gz YQKAKMFAJVOUFX-LBPRGKRZSA-N -1 0 376.840 3.759 20 50 GHGDRM O=C([O-])Nc1ccc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000833282757 600815734 /nfs/dbraw/zinc/81/57/34/600815734.db2.gz OANSVQRILJNKSR-UHFFFAOYSA-N -1 0 390.399 3.910 20 50 GHGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1C ZINC000829579078 601821564 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O=C([O-])c1ccccc1NNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000833765287 605722626 /nfs/dbraw/zinc/72/26/26/605722626.db2.gz GIEYBEWHWNHQJB-UHFFFAOYSA-N -1 0 393.877 3.909 20 50 GHGDRM CCOc1ccc(Nc2ncccc2C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833663152 605733392 /nfs/dbraw/zinc/73/33/92/605733392.db2.gz QQTQVODFNYDLFK-UHFFFAOYSA-N -1 0 392.415 3.679 20 50 GHGDRM