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C=CCN1C(=O)c2ccc(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)cc2C1=O ZINC000736107561 599925013 /nfs/dbraw/zinc/92/50/13/599925013.db2.gz YNDRJTOPKUZRFG-NSHDSACASA-N -1 0 356.378 1.794 20 30 FDEDRM C#CCN1CCC[C@H]1C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000736079096 600004697 /nfs/dbraw/zinc/00/46/97/600004697.db2.gz HBWLEYFJMFSAAZ-SFHVURJKSA-N -1 0 351.406 1.848 20 30 FDEDRM C[C@H](CN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CC1)C(=O)[O-] ZINC000736566247 600049948 /nfs/dbraw/zinc/04/99/48/600049948.db2.gz LVAYNAGUZDZXBE-LLVKDONJSA-N -1 0 353.382 1.651 20 30 FDEDRM C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000736109509 600167929 /nfs/dbraw/zinc/16/79/29/600167929.db2.gz MIRDLZMMIZTXOO-UHFFFAOYSA-N -1 0 363.395 1.738 20 30 FDEDRM NS(=O)(=O)c1ccc(N=NCc2c[nH]c3ccc(C(=O)[O-])cc23)nc1 ZINC000739198488 600181631 /nfs/dbraw/zinc/18/16/31/600181631.db2.gz XHSWOSZEISQUGV-UHFFFAOYSA-N -1 0 359.367 1.355 20 30 FDEDRM COC(=O)C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000737593530 600245160 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/nfs/dbraw/zinc/86/52/97/550865297.db2.gz AMNOJPUEGQNJKO-AWEZNQCLSA-N -1 0 353.444 1.342 20 30 FDEDRM COc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)CC#N)c1 ZINC000579480740 550878242 /nfs/dbraw/zinc/87/82/42/550878242.db2.gz KEYUFPQXHWIJPB-SMDDNHRTSA-N -1 0 355.416 1.279 20 30 FDEDRM C=CCn1c(C(=O)Nc2ccccn2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000579649439 550895432 /nfs/dbraw/zinc/89/54/32/550895432.db2.gz ATOCRKYZYJXBFU-UHFFFAOYSA-N -1 0 352.402 2.205 20 30 FDEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC(=O)[O-])Cc1cccc(C)c1 ZINC000579959125 550928416 /nfs/dbraw/zinc/92/84/16/550928416.db2.gz GFSVMPBGURIEMJ-AWEZNQCLSA-N -1 0 353.444 1.608 20 30 FDEDRM CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000580316931 550966276 /nfs/dbraw/zinc/96/62/76/550966276.db2.gz HBGHFROEKRXQCR-BYCMXARLSA-N -1 0 351.428 1.616 20 30 FDEDRM C=CCOC[C@H](NC(=O)NCCCc1nc2c(s1)CCCC2)C(=O)[O-] ZINC000581229052 551065703 /nfs/dbraw/zinc/06/57/03/551065703.db2.gz PYYGMMNLUMPELW-ZDUSSCGKSA-N -1 0 367.471 1.910 20 30 FDEDRM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1 ZINC000581401970 551084808 /nfs/dbraw/zinc/08/48/08/551084808.db2.gz LUQJARHDUYAQJV-UHFFFAOYSA-N -1 0 362.411 1.852 20 30 FDEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC3CC3)cc2)o1 ZINC000582441412 551224435 /nfs/dbraw/zinc/22/44/35/551224435.db2.gz ARBRRFGBKXCNAS-UHFFFAOYSA-N -1 0 367.408 1.393 20 30 FDEDRM CC(C)=CCSC[C@@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)C(=O)[O-] ZINC000582582669 551244657 /nfs/dbraw/zinc/24/46/57/551244657.db2.gz PRTCGZZUGMNWLA-CQSZACIVSA-N -1 0 369.468 1.693 20 30 FDEDRM C=CCc1cc(CNS(=O)(=O)CCCC(=O)[O-])cc(OC)c1OC ZINC000582723228 551259499 /nfs/dbraw/zinc/25/94/99/551259499.db2.gz BJDDRWNQLGNMHC-UHFFFAOYSA-N -1 0 357.428 1.717 20 30 FDEDRM C=CCn1c(-c2cccc(S(C)(=O)=O)c2)n[n-]c1=Nc1cnn(C)c1 ZINC000582814071 551269912 /nfs/dbraw/zinc/26/99/12/551269912.db2.gz LRSBGEZQUGZUMW-UHFFFAOYSA-N -1 0 358.427 2.012 20 30 FDEDRM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000582948945 551284135 /nfs/dbraw/zinc/28/41/35/551284135.db2.gz CFWQCFYCZQULLO-SNVBAGLBSA-N -1 0 352.412 1.614 20 30 FDEDRM N#CCc1ccc(CS(=O)(=O)[N-]c2ncn(CC(F)(F)F)n2)cc1 ZINC000583204821 551318780 /nfs/dbraw/zinc/31/87/80/551318780.db2.gz XCHAPQVJVSJUQY-UHFFFAOYSA-N -1 0 359.333 1.848 20 30 FDEDRM C=C(C)CS(=O)(=O)N[C@@H](CSCc1cccc(OC)c1)C(=O)[O-] ZINC000583325216 551335487 /nfs/dbraw/zinc/33/54/87/551335487.db2.gz FKRGNFFQKXWBQT-AWEZNQCLSA-N -1 0 359.469 1.877 20 30 FDEDRM N#Cc1ccccc1S(=O)(=O)N[C@@H](Cc1c[nH]c2cccnc12)C(=O)[O-] ZINC000583420159 551348532 /nfs/dbraw/zinc/34/85/32/551348532.db2.gz WKMKPXJGHHJNAA-AWEZNQCLSA-N -1 0 370.390 1.409 20 30 FDEDRM C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584176736 551459320 /nfs/dbraw/zinc/45/93/20/551459320.db2.gz UNCGYFJXWOEPLN-PWSUYJOCSA-N -1 0 356.356 1.305 20 30 FDEDRM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000584484652 551504439 /nfs/dbraw/zinc/50/44/39/551504439.db2.gz PIBUVOSCRDKMLD-UHFFFAOYSA-N -1 0 363.326 1.767 20 30 FDEDRM Cn1cc(C#N)c(=NC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)[n-]1 ZINC000588259680 551662857 /nfs/dbraw/zinc/66/28/57/551662857.db2.gz DPKMMEIROJCPBH-IXDOHACOSA-N -1 0 351.410 2.328 20 30 FDEDRM COc1cc(CNS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)ccc1C#N ZINC000589550581 551735596 /nfs/dbraw/zinc/73/55/96/551735596.db2.gz HNZONPDULXMIBP-UHFFFAOYSA-N -1 0 364.354 1.883 20 30 FDEDRM COc1cccc([C@@H]2[C@H](C(=O)[O-])CCN2S(=O)(=O)N(C)CCC#N)c1 ZINC000590899300 551825982 /nfs/dbraw/zinc/82/59/82/551825982.db2.gz WARLAUCZWMBBSV-HUUCEWRRSA-N -1 0 367.427 1.233 20 30 FDEDRM CCOC(=O)c1sc(NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-])c(C#N)c1C ZINC000591531497 551876399 /nfs/dbraw/zinc/87/63/99/551876399.db2.gz YEZMKOVRTKVSMV-IUCAKERBSA-N -1 0 354.384 1.922 20 30 FDEDRM N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC000592465994 551998697 /nfs/dbraw/zinc/99/86/97/551998697.db2.gz NVYFDRQVQGOQDT-MNOVXSKESA-N -1 0 357.345 2.258 20 30 FDEDRM Cc1c(C#N)c(=NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)[n-]n1C ZINC000592645433 552016197 /nfs/dbraw/zinc/01/61/97/552016197.db2.gz BEKCBCDFMHMMKQ-HNNXBMFYSA-N -1 0 351.410 1.896 20 30 FDEDRM Cc1c(C#N)c(=NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)[n-]n1C ZINC000592645435 552016227 /nfs/dbraw/zinc/01/62/27/552016227.db2.gz BEKCBCDFMHMMKQ-OAHLLOKOSA-N -1 0 351.410 1.896 20 30 FDEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000593220597 552074266 /nfs/dbraw/zinc/07/42/66/552074266.db2.gz SELQLJXJTBJZLR-XJKSGUPXSA-N -1 0 353.444 1.345 20 30 FDEDRM COC1(C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C)C(=O)[O-])CCC1 ZINC000593276298 552081609 /nfs/dbraw/zinc/08/16/09/552081609.db2.gz GXQVFTRXUHAKHP-ZDUSSCGKSA-N -1 0 352.412 1.557 20 30 FDEDRM CC1(C)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H]1C#N ZINC000593309801 552087222 /nfs/dbraw/zinc/08/72/22/552087222.db2.gz HOGXDOTYBUKCPN-CYBMUJFWSA-N -1 0 367.383 1.996 20 30 FDEDRM N#Cc1cccc2c1CN(C(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C2 ZINC000593771387 552195134 /nfs/dbraw/zinc/19/51/34/552195134.db2.gz YSTCLGMZCDRWIZ-ZDUSSCGKSA-N -1 0 355.394 1.504 20 30 FDEDRM CC[C@@](C)(NC(=O)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)c1nccs1 ZINC000594297716 552281260 /nfs/dbraw/zinc/28/12/60/552281260.db2.gz BRUQEFHPUOSEQZ-QGZVFWFLSA-N -1 0 374.470 2.346 20 30 FDEDRM CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000594530845 552328703 /nfs/dbraw/zinc/32/87/03/552328703.db2.gz VQZKQMITYCIHSV-LBPRGKRZSA-N -1 0 351.790 1.301 20 30 FDEDRM CC(C)[C@H](CNC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000594539815 552331425 /nfs/dbraw/zinc/33/14/25/552331425.db2.gz NVRBALVUBFZFJN-KRWDZBQOSA-N -1 0 369.421 1.647 20 30 FDEDRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC000594544843 552331854 /nfs/dbraw/zinc/33/18/54/552331854.db2.gz MSYARYYITLQNGU-ULQDDVLXSA-N -1 0 371.437 1.758 20 30 FDEDRM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cc(C)c(C#N)cn3)ccc21 ZINC000594579613 552337036 /nfs/dbraw/zinc/33/70/36/552337036.db2.gz XPGYKLQWMARTKG-UHFFFAOYSA-N -1 0 370.434 2.362 20 30 FDEDRM COCCN(CCC#N)S(=O)(=O)[N-]CC(F)(F)c1cccc(F)c1 ZINC000594816870 552396457 /nfs/dbraw/zinc/39/64/57/552396457.db2.gz JAPXDGUBODQBKZ-UHFFFAOYSA-N -1 0 365.377 1.614 20 30 FDEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)C(=O)N[C@@H]2CCc3ccc(O)cc32)[n-]1 ZINC000595171962 552476933 /nfs/dbraw/zinc/47/69/33/552476933.db2.gz CXGADNZXOGGFIM-OAHLLOKOSA-N -1 0 367.409 1.958 20 30 FDEDRM N#CC1(CNC(=O)C(=O)N=c2ncn(C3CCCCC3)[n-]2)CCCCC1 ZINC000595183081 552481328 /nfs/dbraw/zinc/48/13/28/552481328.db2.gz JDQLQTICIKRLRQ-UHFFFAOYSA-N -1 0 358.446 2.312 20 30 FDEDRM C[C@H](O)[C@@H](NC(=O)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)c1ccccc1 ZINC000595235293 552501078 /nfs/dbraw/zinc/50/10/78/552501078.db2.gz LUKQFGDNXIMWRN-SWLSCSKDSA-N -1 0 369.425 1.687 20 30 FDEDRM N#Cc1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cc1C(F)(F)F ZINC000595240251 552502777 /nfs/dbraw/zinc/50/27/77/552502777.db2.gz CCWSXRKFFWRQPF-UHFFFAOYSA-N -1 0 369.299 1.887 20 30 FDEDRM N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@@H]1C[C@H](C(=O)[O-])C[C@H]1O ZINC000595977230 552640663 /nfs/dbraw/zinc/64/06/63/552640663.db2.gz FOKQUZQJCUWPFJ-MCCGJVOXSA-N -1 0 363.320 1.766 20 30 FDEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC000596039773 552648299 /nfs/dbraw/zinc/64/82/99/552648299.db2.gz QLGSTFODWKRINH-CYBMUJFWSA-N -1 0 370.814 1.466 20 30 FDEDRM Cc1cccc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C(=O)[O-])c1C#N ZINC000596040349 552648484 /nfs/dbraw/zinc/64/84/84/552648484.db2.gz UYKMAEXMWADONZ-CQSZACIVSA-N -1 0 350.396 1.121 20 30 FDEDRM C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000596063095 552651245 /nfs/dbraw/zinc/65/12/45/552651245.db2.gz RHNYOXRGCHYXNI-NSHDSACASA-N -1 0 365.411 1.749 20 30 FDEDRM CC(C)(C)c1[n-]n(C[C@@H]2CCN(S(C)(=O)=O)C2)c(=O)c1CCC#N ZINC000596260926 552669226 /nfs/dbraw/zinc/66/92/26/552669226.db2.gz QIIIDVXOJIEUIK-GFCCVEGCSA-N -1 0 354.476 1.624 20 30 FDEDRM N#Cc1ccnc(N2CCN(C(=O)NC[C@H](C(=O)[O-])C3CCC3)CC2)c1 ZINC000596650513 552697087 /nfs/dbraw/zinc/69/70/87/552697087.db2.gz MSQLTYZJIBSUPC-HNNXBMFYSA-N -1 0 357.414 1.286 20 30 FDEDRM N#Cc1sccc1N1CCN(C(=O)N=c2[n-]nc3ccccn32)CC1 ZINC000596729530 552705340 /nfs/dbraw/zinc/70/53/40/552705340.db2.gz GSLQEGOHLIUJPX-UHFFFAOYSA-N -1 0 353.411 2.017 20 30 FDEDRM CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)Cc2noc(C)c2C#N)n1 ZINC000597581189 552808308 /nfs/dbraw/zinc/80/83/08/552808308.db2.gz SUSMOQRFGJSDTJ-ZDUSSCGKSA-N -1 0 374.401 1.596 20 30 FDEDRM C[C@H]1C[C@H](CNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C[C@@H](C)C1 ZINC000599095508 552967043 /nfs/dbraw/zinc/96/70/43/552967043.db2.gz FWDRDOWOCIHMCQ-ITGUQSILSA-N -1 0 359.430 1.459 20 30 FDEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000599617909 553104952 /nfs/dbraw/zinc/10/49/52/553104952.db2.gz OAMFGNNLLOFNNS-OCCSQVGLSA-N -1 0 373.409 1.853 20 30 FDEDRM N#Cc1cc(F)c(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])c(F)c1 ZINC000600655983 553292468 /nfs/dbraw/zinc/29/24/68/553292468.db2.gz BTMDGCZJBOJJBT-SECBINFHSA-N -1 0 352.265 1.319 20 30 FDEDRM Cc1ccccc1SCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000600831528 553319846 /nfs/dbraw/zinc/31/98/46/553319846.db2.gz FVTQCBHFYLWLGS-UHFFFAOYSA-N -1 0 356.407 1.305 20 30 FDEDRM CSc1c(F)cccc1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000600832753 553320288 /nfs/dbraw/zinc/32/02/88/553320288.db2.gz ONWMENFENMGHKY-UHFFFAOYSA-N -1 0 360.370 1.379 20 30 FDEDRM C=C(C)C[C@@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)C(=O)[O-] ZINC000600876472 553323691 /nfs/dbraw/zinc/32/36/91/553323691.db2.gz YBCYEIUQGGOSSO-LLVKDONJSA-N -1 0 367.452 1.525 20 30 FDEDRM N#Cc1ccc(N2CCN(S(=O)(=O)c3ncc[n-]3)CC2)c(Cl)c1 ZINC000601404276 553396137 /nfs/dbraw/zinc/39/61/37/553396137.db2.gz HQVNOKCBODAQOJ-UHFFFAOYSA-N -1 0 351.819 1.446 20 30 FDEDRM N#Cc1cn(CC(=O)N2CC[C@@H](CSc3ccccc3)C2)c(=O)[n-]c1=O ZINC000602105856 553519929 /nfs/dbraw/zinc/51/99/29/553519929.db2.gz LZFCSYRKGGTKNS-CYBMUJFWSA-N -1 0 370.434 1.461 20 30 FDEDRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC000602106455 553520092 /nfs/dbraw/zinc/52/00/92/553520092.db2.gz MEURTUPWEBJRCL-QGZVFWFLSA-N -1 0 368.437 1.999 20 30 FDEDRM C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC[C@@H]1c1ccccc1 ZINC000602112272 553521092 /nfs/dbraw/zinc/52/10/92/553521092.db2.gz YBRMPULUZRFGAL-PBHICJAKSA-N -1 0 366.421 1.863 20 30 FDEDRM N#Cc1cn(CC(=O)N2CCCC[C@H]2CCc2ccccc2)c(=O)[n-]c1=O ZINC000602129941 553524365 /nfs/dbraw/zinc/52/43/65/553524365.db2.gz HORTZBVBHYYJFF-KRWDZBQOSA-N -1 0 366.421 1.834 20 30 FDEDRM Cc1cccc(C[C@]2(C)CCCN2C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1 ZINC000602195822 553537708 /nfs/dbraw/zinc/53/77/08/553537708.db2.gz QMQBYEFWVMURML-FQEVSTJZSA-N -1 0 366.421 1.753 20 30 FDEDRM Cc1[n-]n(-c2ccc(S(=O)(=O)N3CCCC3)cn2)c(=O)c1CCC#N ZINC000603921258 553829981 /nfs/dbraw/zinc/82/99/81/553829981.db2.gz NTZJXPUPOKAPQV-AWEZNQCLSA-N -1 0 361.427 1.509 20 30 FDEDRM CC(C)[C@@H](C#N)N1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000609485142 554381811 /nfs/dbraw/zinc/38/18/11/554381811.db2.gz KBVXDAIHYMZJKZ-OAHLLOKOSA-N -1 0 361.471 1.174 20 30 FDEDRM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cn1 ZINC000610105781 554461501 /nfs/dbraw/zinc/46/15/01/554461501.db2.gz UDJCOCUJOHLFDH-UHFFFAOYSA-N -1 0 351.359 1.918 20 30 FDEDRM Cn1cc(C#N)c(=NC(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)[n-]1 ZINC000610565079 554530815 /nfs/dbraw/zinc/53/08/15/554530815.db2.gz VTHUQMASDLEXSE-HNNXBMFYSA-N -1 0 368.397 1.731 20 30 FDEDRM CCOC(=O)c1sc(CNS(=O)(=O)c2ccccc2C#N)nc1C ZINC000611024934 554596542 /nfs/dbraw/zinc/59/65/42/554596542.db2.gz BYBQCTGFOPNBKQ-UHFFFAOYSA-N -1 0 365.436 1.978 20 30 FDEDRM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cc1 ZINC000613317609 554912433 /nfs/dbraw/zinc/91/24/33/554912433.db2.gz CPGNOHHDBAHYRS-UHFFFAOYSA-N -1 0 359.407 1.656 20 30 FDEDRM N#Cc1ccccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000614336998 555039777 /nfs/dbraw/zinc/03/97/77/555039777.db2.gz BXYVFRXAELSBIT-CQSZACIVSA-N -1 0 352.318 1.941 20 30 FDEDRM N#Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@]3(CCOC3)C2)cc1Cl ZINC000618054682 555560896 /nfs/dbraw/zinc/56/08/96/555560896.db2.gz WCWHVCMLWMBDKJ-IUODEOHRSA-N -1 0 370.814 1.323 20 30 FDEDRM Cn1cc(C#N)c(=NC(=O)NCCCCn2cc(Br)cn2)[n-]1 ZINC000619320243 555765376 /nfs/dbraw/zinc/76/53/76/555765376.db2.gz YNCWNKBFXXPDQF-UHFFFAOYSA-N -1 0 366.223 1.853 20 30 FDEDRM N#CCc1cccc(S(=O)(=O)N2CCC[C@@H](n3cc(C(=O)[O-])cn3)C2)c1 ZINC000619471332 555782890 /nfs/dbraw/zinc/78/28/90/555782890.db2.gz FTPDDJRAGQKDHW-OAHLLOKOSA-N -1 0 374.422 1.673 20 30 FDEDRM C=CCCOCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000620325513 555918990 /nfs/dbraw/zinc/91/89/90/555918990.db2.gz VTMFXKCHXHIOCH-UHFFFAOYSA-N -1 0 362.411 1.809 20 30 FDEDRM C=CCN=c1[n-]nc(S(=O)(=O)CCOc2ccccc2OC)s1 ZINC000621994206 556198316 /nfs/dbraw/zinc/19/83/16/556198316.db2.gz KJDFBCNTKKDQSD-UHFFFAOYSA-N -1 0 355.441 1.997 20 30 FDEDRM Cc1oc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000626302796 557048396 /nfs/dbraw/zinc/04/83/96/557048396.db2.gz QAFHAURIWOUARH-LBPRGKRZSA-N -1 0 362.411 1.800 20 30 FDEDRM C=C(C)C[C@H](NC(=O)CNC(=O)NCc1ccc(Cl)cc1)C(=O)[O-] ZINC000630326209 557897936 /nfs/dbraw/zinc/89/79/36/557897936.db2.gz OCHIIRWEXOSHCM-ZDUSSCGKSA-N -1 0 353.806 1.675 20 30 FDEDRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1C ZINC000481841522 568147345 /nfs/dbraw/zinc/14/73/45/568147345.db2.gz XQVQVMYIXASFJF-UHFFFAOYSA-N -1 0 365.436 1.576 20 30 FDEDRM N#Cc1ccsc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737728250 599026073 /nfs/dbraw/zinc/02/60/73/599026073.db2.gz KHSWAUDDHQNVJT-UHFFFAOYSA-N -1 0 374.407 1.060 20 30 FDEDRM N#Cc1nc(NC(=O)C[C@@H]2OCCc3ccccc32)[n-]c1-c1nn[nH]n1 ZINC000737704186 599106913 /nfs/dbraw/zinc/10/69/13/599106913.db2.gz DNPFLCCBXNLEPN-LBPRGKRZSA-N -1 0 350.342 1.104 20 30 FDEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)[n-]c1-c1nn[nH]n1 ZINC000737706654 599185116 /nfs/dbraw/zinc/18/51/16/599185116.db2.gz XVUCPUXLWNWXPB-RNFRBKRXSA-N -1 0 356.296 1.482 20 30 FDEDRM Cc1nn(Cc2cc(Cl)ccc2OCC#N)c(=O)c(-c2nnn[n-]2)c1C ZINC000737522972 599221141 /nfs/dbraw/zinc/22/11/41/599221141.db2.gz OSFOJWOQORYSMD-UHFFFAOYSA-N -1 0 371.788 1.644 20 30 FDEDRM CC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)[O-] ZINC000817865849 597031553 /nfs/dbraw/zinc/03/15/53/597031553.db2.gz QZRLOMYHPYOPEG-CQSZACIVSA-N -1 0 367.427 1.108 20 30 FDEDRM C=CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000262592868 597036912 /nfs/dbraw/zinc/03/69/12/597036912.db2.gz VJSLAKPGKCEPBI-UHFFFAOYSA-N -1 0 352.412 1.278 20 30 FDEDRM N#Cc1ccc(N2CCN(C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)nc1 ZINC000738431885 597197842 /nfs/dbraw/zinc/19/78/42/597197842.db2.gz AITMVUZXIHAZIT-UHFFFAOYSA-N -1 0 365.393 1.934 20 30 FDEDRM N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NCCC(=O)[O-] ZINC000263399608 597293464 /nfs/dbraw/zinc/29/34/64/597293464.db2.gz RVKWXAHATVAUQW-UHFFFAOYSA-N -1 0 356.386 1.033 20 30 FDEDRM N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCC(=O)[O-])CC1 ZINC000263342302 597295069 /nfs/dbraw/zinc/29/50/69/597295069.db2.gz FQWGREZQPJMVLJ-UHFFFAOYSA-N -1 0 353.382 1.413 20 30 FDEDRM C[C@@H](NC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000818022236 597516807 /nfs/dbraw/zinc/51/68/07/597516807.db2.gz GIIVLXSJAHVRJR-GFCCVEGCSA-N -1 0 367.361 1.665 20 30 FDEDRM C[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000818018095 597518842 /nfs/dbraw/zinc/51/88/42/597518842.db2.gz NAMGJCVCJWLGRP-NSHDSACASA-N -1 0 353.334 1.878 20 30 FDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000819874320 597619812 /nfs/dbraw/zinc/61/98/12/597619812.db2.gz KCQPNAICXFAGJN-INIZCTEOSA-N -1 0 374.332 1.384 20 30 FDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000819821016 597634246 /nfs/dbraw/zinc/63/42/46/597634246.db2.gz BZIXLMZJTKSQII-FQEVSTJZSA-N -1 0 371.437 1.731 20 30 FDEDRM N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])C3)n2)c(Cl)c1 ZINC000417786564 597723951 /nfs/dbraw/zinc/72/39/51/597723951.db2.gz KGNBEYGCEDNTOI-LLVKDONJSA-N -1 0 359.773 2.336 20 30 FDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000819848469 598224764 /nfs/dbraw/zinc/22/47/64/598224764.db2.gz SQVIXCNKDQGMFT-LJQANCHMSA-N -1 0 352.394 1.982 20 30 FDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000819811929 598225174 /nfs/dbraw/zinc/22/51/74/598225174.db2.gz XPYWQCHSGCJOQR-FQEVSTJZSA-N -1 0 369.421 1.819 20 30 FDEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000819811780 598225698 /nfs/dbraw/zinc/22/56/98/598225698.db2.gz VZGOPBYJOMMFDK-LJQANCHMSA-N -1 0 368.393 1.740 20 30 FDEDRM Cc1ccccc1CC(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1 ZINC000821125642 598226242 /nfs/dbraw/zinc/22/62/42/598226242.db2.gz VOCBHIWEHHKQOY-IBGZPJMESA-N -1 0 357.410 1.213 20 30 FDEDRM N#Cc1nc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)[n-]c1-c1nn[nH]n1 ZINC000737705540 598528977 /nfs/dbraw/zinc/52/89/77/598528977.db2.gz PPSSZHFFYASKOZ-UHFFFAOYSA-N -1 0 367.760 1.777 20 30 FDEDRM N#Cc1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[n-]c1-c1nn[nH]n1 ZINC000737706680 598568760 /nfs/dbraw/zinc/56/87/60/598568760.db2.gz YCFNMYYLTKFSCY-JGVFFNPUSA-N -1 0 356.296 1.482 20 30 FDEDRM C[C@@H](CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C(=O)c1ccccc1 ZINC000735974268 598778810 /nfs/dbraw/zinc/77/88/10/598778810.db2.gz BNCOLLBVOOKBKM-VIFPVBQESA-N -1 0 350.342 1.309 20 30 FDEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000272453591 674446566 /nfs/dbraw/zinc/44/65/66/674446566.db2.gz MXTNCDWUTKJNKB-STQMWFEESA-N -1 0 362.411 1.936 20 30 FDEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C#N)cn2)cc1OC ZINC000737952665 599715186 /nfs/dbraw/zinc/71/51/86/599715186.db2.gz NKOSPMNICPCDOH-CQSZACIVSA-N -1 0 355.350 1.916 20 30 FDEDRM C#CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000730996540 599838384 /nfs/dbraw/zinc/83/83/84/599838384.db2.gz UNGGBXDKVQHQOC-UHFFFAOYSA-N -1 0 361.375 1.963 20 30 FDEDRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000736363819 599841451 /nfs/dbraw/zinc/84/14/51/599841451.db2.gz QGOURRNVSXBDPP-QGZVFWFLSA-N -1 0 358.442 1.885 20 30 FDEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CNC(=O)[O-] ZINC000736200273 599876035 /nfs/dbraw/zinc/87/60/35/599876035.db2.gz BEXXVSATJPGFBJ-JTQLQIEISA-N -1 0 351.384 1.688 20 30 FDEDRM Cc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1C(=O)[O-] ZINC000738429656 599918356 /nfs/dbraw/zinc/91/83/56/599918356.db2.gz HCCVIPHATSICPO-UHFFFAOYSA-N -1 0 373.390 1.370 20 30 FDEDRM C=CCn1c(-c2cccnc2)nn(CN2CCO[C@H](C(=O)[O-])C2)c1=S ZINC000736117579 599956342 /nfs/dbraw/zinc/95/63/42/599956342.db2.gz LREVFZLIHXFDKS-ZDUSSCGKSA-N -1 0 361.427 1.405 20 30 FDEDRM CCOc1ccc(N(CCC#N)C(=O)CN2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000737202583 599971614 /nfs/dbraw/zinc/97/16/14/599971614.db2.gz GWYZLCHQTVKKRK-MRXNPFEDSA-N -1 0 361.398 1.117 20 30 FDEDRM O=C([O-])C(=O)C1=C(c2cccnc2)NC(=S)N[C@@H]1c1ccccc1F ZINC000739500858 599994107 /nfs/dbraw/zinc/99/41/07/599994107.db2.gz YLEPKDOFZLCYPK-CQSZACIVSA-N -1 0 357.366 1.805 20 30 FDEDRM C=CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000736108468 600014344 /nfs/dbraw/zinc/01/43/44/600014344.db2.gz UONCOMQMKQWERE-GFCCVEGCSA-N -1 0 354.428 1.188 20 30 FDEDRM N#Cc1ccc(NCCNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)nc1 ZINC000739120753 600017458 /nfs/dbraw/zinc/01/74/58/600017458.db2.gz DGVYYNXIGCENGM-UHFFFAOYSA-N -1 0 351.366 1.789 20 30 FDEDRM N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000739144969 600079888 /nfs/dbraw/zinc/07/98/88/600079888.db2.gz FJKROCVBTBJRHN-CABCVRRESA-N -1 0 350.378 1.476 20 30 FDEDRM NS(=O)(=O)c1ccc(NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)cc1 ZINC000739196998 600180807 /nfs/dbraw/zinc/18/08/07/600180807.db2.gz BZHPDESNOXIRLC-UHFFFAOYSA-N -1 0 358.379 1.960 20 30 FDEDRM Cc1nc(SCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)c(C#N)c(C)c1C ZINC000738869186 600183156 /nfs/dbraw/zinc/18/31/56/600183156.db2.gz SKZQZIOYEVMKEQ-UHFFFAOYSA-N -1 0 360.399 1.355 20 30 FDEDRM C[C@@H](OC(=O)CCCNC(=O)[O-])C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000736761338 600196461 /nfs/dbraw/zinc/19/64/61/600196461.db2.gz HIDDIGSNVZOMCC-UIORMTCPSA-N -1 0 353.419 1.897 20 30 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600784572 /nfs/dbraw/zinc/78/45/72/600784572.db2.gz VALINOMCRCZNEK-CQSZACIVSA-N -1 0 355.350 1.945 20 30 FDEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C(=O)[O-])c1ccccn1 ZINC000833015236 600915310 /nfs/dbraw/zinc/91/53/10/600915310.db2.gz AXFASABIBXMEQY-QGZVFWFLSA-N -1 0 355.398 1.683 20 30 FDEDRM N#C[C@@H](c1ccccc1)N1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000833064104 601006543 /nfs/dbraw/zinc/00/65/43/601006543.db2.gz FFWLOWGFQDKNAM-SFHVURJKSA-N -1 0 370.453 1.192 20 30 FDEDRM COCCN(CCC#N)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000831724816 601017633 /nfs/dbraw/zinc/01/76/33/601017633.db2.gz CJIVHALIDCDRKI-QGZVFWFLSA-N -1 0 372.425 1.583 20 30 FDEDRM C#CCN(CC#CC)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC000825614822 601021050 /nfs/dbraw/zinc/02/10/50/601021050.db2.gz YRKCPQIWYRPSAS-UHFFFAOYSA-N -1 0 362.407 1.438 20 30 FDEDRM COc1cc(C#N)ccc1OCC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000486275047 601076286 /nfs/dbraw/zinc/07/62/86/601076286.db2.gz YCPKAYRSOYCVAY-HNNXBMFYSA-N -1 0 354.362 1.930 20 30 FDEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)Nc1nn(C)cc1C#N ZINC000828493535 601137561 /nfs/dbraw/zinc/13/75/61/601137561.db2.gz GVNJBZMEXDAXGH-GFCCVEGCSA-N -1 0 368.397 1.733 20 30 FDEDRM N#Cc1ccc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccco2)s1 ZINC000833071911 601203478 /nfs/dbraw/zinc/20/34/78/601203478.db2.gz JQQCHNXBRINCCU-LLVKDONJSA-N -1 0 359.388 1.953 20 30 FDEDRM N#C[C@H]1CN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)CCN1C1CC1 ZINC000833061604 601243896 /nfs/dbraw/zinc/24/38/96/601243896.db2.gz DVOFBWOTGDMURV-GZTQLTBSSA-N -1 0 361.423 1.145 20 30 FDEDRM C[C@H](CC(=O)[O-])N1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000827386215 601259992 /nfs/dbraw/zinc/25/99/92/601259992.db2.gz QQHDTYQSKSBZLZ-LLVKDONJSA-N -1 0 371.846 1.381 20 30 FDEDRM Cc1noc([C@H](C)N2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1 ZINC000833020332 601315926 /nfs/dbraw/zinc/31/59/26/601315926.db2.gz AOSRWBBFSNWDIC-LRDDRELGSA-N -1 0 355.398 1.754 20 30 FDEDRM COC(=O)c1ccc(/C=C2/CN(C)C/C(=C/c3ccc(C(=O)[O-])[nH]3)C2=O)[nH]1 ZINC000831379228 601330043 /nfs/dbraw/zinc/33/00/43/601330043.db2.gz MOAIEFHWPWDQJD-OXAWKVHCSA-N -1 0 369.377 1.809 20 30 FDEDRM Cc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832956759 601344315 /nfs/dbraw/zinc/34/43/15/601344315.db2.gz OTMNARJSMMZNQO-OAHLLOKOSA-N -1 0 374.374 1.497 20 30 FDEDRM N#CC1CCN(C(=O)C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)CC1 ZINC000833063026 601351127 /nfs/dbraw/zinc/35/11/27/601351127.db2.gz RUTVSIIFMGGTLL-UHFFFAOYSA-N -1 0 359.382 1.631 20 30 FDEDRM N#Cc1cccc([C@H](OC(=O)C(=O)NCCCc2ccccc2)C(=O)[O-])c1 ZINC000833074871 601352140 /nfs/dbraw/zinc/35/21/40/601352140.db2.gz FSWTZEJUXUUJAQ-KRWDZBQOSA-N -1 0 366.373 1.976 20 30 FDEDRM NC(=NOCc1noc(CCCC(=O)[O-])n1)c1ccc(Br)o1 ZINC000833077799 601353641 /nfs/dbraw/zinc/35/36/41/601353641.db2.gz BPEUJGKBJSKUDH-UHFFFAOYSA-N -1 0 373.163 1.670 20 30 FDEDRM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827780246 601354463 /nfs/dbraw/zinc/35/44/63/601354463.db2.gz JEQKDQMESKTCOF-GDLCADMTSA-N -1 0 362.382 1.139 20 30 FDEDRM N#Cc1cccnc1N1CCN(Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000833076369 601397460 /nfs/dbraw/zinc/39/74/60/601397460.db2.gz CKUNVPILIIHXRD-UHFFFAOYSA-N -1 0 362.393 1.781 20 30 FDEDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 ZINC000828638176 601470479 /nfs/dbraw/zinc/47/04/79/601470479.db2.gz HGISISPAGSIMAM-MRXNPFEDSA-N -1 0 367.427 1.170 20 30 FDEDRM C[C@@H](C#N)CNS(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000825966544 601476903 /nfs/dbraw/zinc/47/69/03/601476903.db2.gz GLNKOTGTUFNBGD-LURJTMIESA-N -1 0 365.180 1.724 20 30 FDEDRM C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@@H]1C(=O)[O-] ZINC000828469675 601588772 /nfs/dbraw/zinc/58/87/72/601588772.db2.gz AFTQWLBKIACOKF-PELKAZGASA-N -1 0 373.228 1.662 20 30 FDEDRM C[C@@H]1CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1C(=O)[O-] ZINC000828349776 601657323 /nfs/dbraw/zinc/65/73/23/601657323.db2.gz SSPCWELTBDQARS-IUODEOHRSA-N -1 0 357.414 1.284 20 30 FDEDRM C[C@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828499778 601664443 /nfs/dbraw/zinc/66/44/43/601664443.db2.gz IGCUKZCEEFZTRG-LBPRGKRZSA-N -1 0 355.373 1.896 20 30 FDEDRM C=C[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000825653708 601763682 /nfs/dbraw/zinc/76/36/82/601763682.db2.gz QSAWUWYGRLQJAF-LURJTMIESA-N -1 0 359.151 1.916 20 30 FDEDRM N#C[C@@H](C(=O)CN1CC[C@@H](CNC(=O)[O-])C1)c1nc2ccccc2c(=O)[nH]1 ZINC000740303666 601938118 /nfs/dbraw/zinc/93/81/18/601938118.db2.gz MIGRUICIRJRMRA-AAEUAGOBSA-N -1 0 369.381 1.101 20 30 FDEDRM C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000262278243 602005163 /nfs/dbraw/zinc/00/51/63/602005163.db2.gz XUQAZAMJOXMWBD-INIZCTEOSA-N -1 0 352.412 1.088 20 30 FDEDRM C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000827318124 602102855 /nfs/dbraw/zinc/10/28/55/602102855.db2.gz RQTYKRPBHJEWFB-WMEZLHQCSA-N -1 0 367.427 1.549 20 30 FDEDRM CCc1nn(Cc2ccc(OC)c(C#N)c2)c(=O)c(-c2nnn[n-]2)c1CC ZINC000825762499 607545683 /nfs/dbraw/zinc/54/56/83/607545683.db2.gz CUABKKXHXXUCKN-UHFFFAOYSA-N -1 0 365.397 1.477 20 30 FDEDRM Cc1cc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)C2CC2)cnc1Cl ZINC000832881902 602110909 /nfs/dbraw/zinc/11/09/09/602110909.db2.gz WABNAFHMOLCYFQ-JTQLQIEISA-N -1 0 351.815 1.880 20 30 FDEDRM COc1ccc(C(=O)N(CC#N)CC(=O)[O-])c(I)c1 ZINC000832162172 602151478 /nfs/dbraw/zinc/15/14/78/602151478.db2.gz HYFUERASNCFFCN-UHFFFAOYSA-N -1 0 374.134 1.350 20 30 FDEDRM C[C@@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738952462 602200139 /nfs/dbraw/zinc/20/01/39/602200139.db2.gz SXZQKRCPGCRVPN-CHWSQXEVSA-N -1 0 374.397 1.422 20 30 FDEDRM N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000833067241 602240981 /nfs/dbraw/zinc/24/09/81/602240981.db2.gz BLCUWFXFXUPSMW-UHFFFAOYSA-N -1 0 363.345 1.380 20 30 FDEDRM N#CCCN(C(=O)CCC(=O)N1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000738428399 602261520 /nfs/dbraw/zinc/26/15/20/602261520.db2.gz NFXBIFOSVRQNDW-UHFFFAOYSA-N -1 0 358.398 1.536 20 30 FDEDRM C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](CC(C)C)C(=O)[O-])c1 ZINC000825625882 602288319 /nfs/dbraw/zinc/28/83/19/602288319.db2.gz PEKGFYCRCBKFKH-CQSZACIVSA-N -1 0 353.396 1.254 20 30 FDEDRM N#Cc1cc(F)ccc1CN1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000740311332 602315207 /nfs/dbraw/zinc/31/52/07/602315207.db2.gz PXCMKSKJZLVSFC-HNNXBMFYSA-N -1 0 374.416 1.732 20 30 FDEDRM Cc1c(C(=O)N(CCC#N)CC2CC2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740032176 602342445 /nfs/dbraw/zinc/34/24/45/602342445.db2.gz MRLYAKIUYFJCMS-UHFFFAOYSA-N -1 0 360.418 1.667 20 30 FDEDRM O=C([O-])[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1cc(F)ccc1F ZINC000833091611 602352022 /nfs/dbraw/zinc/35/20/22/602352022.db2.gz BJMQKJZWKNRKOF-KRWDZBQOSA-N -1 0 359.284 1.987 20 30 FDEDRM N#C[C@@H](C(=O)CN1CCC(NC(=O)[O-])CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000740303981 602375399 /nfs/dbraw/zinc/37/53/99/602375399.db2.gz OQGOJWRWKPBJOG-ZDUSSCGKSA-N -1 0 369.381 1.244 20 30 FDEDRM N#Cc1cc(Cl)ccc1N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000740311617 602433369 /nfs/dbraw/zinc/43/33/69/602433369.db2.gz SFRSWMGHJXZKIQ-LLVKDONJSA-N -1 0 350.806 1.812 20 30 FDEDRM C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CNC(=O)[O-])ccc1F ZINC000738491456 602445736 /nfs/dbraw/zinc/44/57/36/602445736.db2.gz LQLMQPHVBPVJLI-SNVBAGLBSA-N -1 0 373.406 1.018 20 30 FDEDRM CN(C[C@H]1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1)C(=O)[O-] ZINC000739655064 602490619 /nfs/dbraw/zinc/49/06/19/602490619.db2.gz YTRWTBRWIQUXSX-NVXWUHKLSA-N -1 0 356.426 1.985 20 30 FDEDRM N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000740312416 602581026 /nfs/dbraw/zinc/58/10/26/602581026.db2.gz GZPAGXBRYPTSHV-INIZCTEOSA-N -1 0 357.414 1.138 20 30 FDEDRM N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000740322557 602583629 /nfs/dbraw/zinc/58/36/29/602583629.db2.gz CHSPXSWXRUWNSI-OAHLLOKOSA-N -1 0 357.414 1.532 20 30 FDEDRM N#C[C@H](C(=O)COCCNC(=O)[O-])C(=O)Nc1ccc(F)c(Cl)c1 ZINC000740304549 602675988 /nfs/dbraw/zinc/67/59/88/602675988.db2.gz WHWFDWANHXQWBX-SECBINFHSA-N -1 0 357.725 1.411 20 30 FDEDRM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739042169 602722765 /nfs/dbraw/zinc/72/27/65/602722765.db2.gz HHXKJZAPNRXCTQ-VFZGTOFNSA-N -1 0 368.415 1.510 20 30 FDEDRM CC(C)[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)NC(=O)[O-] ZINC000738791312 602777598 /nfs/dbraw/zinc/77/75/98/602777598.db2.gz VINJWGKILNKESF-CQSZACIVSA-N -1 0 356.386 1.348 20 30 FDEDRM COc1cc([C@@H](C#N)NC(=O)C[C@H](C)NC(=O)[O-])cc(OC)c1OC ZINC000829086279 602786713 /nfs/dbraw/zinc/78/67/13/602786713.db2.gz GLYDTJXNIZSOTP-GXSJLCMTSA-N -1 0 351.359 1.439 20 30 FDEDRM C#CCN1CCN(C(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)CC1 ZINC000738461496 602794530 /nfs/dbraw/zinc/79/45/30/602794530.db2.gz SYXMPJDQMMZJRY-UHFFFAOYSA-N -1 0 370.453 1.389 20 30 FDEDRM N#Cc1ccc(N2CCC(NC(=O)C[C@@H]3CCCN3C(=O)[O-])CC2)nc1 ZINC000831131853 602831879 /nfs/dbraw/zinc/83/18/79/602831879.db2.gz DEJKOWXZEUDCDU-HNNXBMFYSA-N -1 0 357.414 1.571 20 30 FDEDRM N#C[C@H](NC(=O)COCCNC(=O)[O-])c1ccccc1Br ZINC000740304115 602851611 /nfs/dbraw/zinc/85/16/11/602851611.db2.gz QQZFANQXQSSMFZ-NSHDSACASA-N -1 0 356.176 1.414 20 30 FDEDRM C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H](C)N1C(=O)[O-] ZINC000739192378 602870496 /nfs/dbraw/zinc/87/04/96/602870496.db2.gz NDOUSNWFXVFJFZ-AOOOYVTPSA-N -1 0 357.819 1.973 20 30 FDEDRM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000740315490 602904096 /nfs/dbraw/zinc/90/40/96/602904096.db2.gz MIYLEKCGJAUENV-JTQLQIEISA-N -1 0 351.746 1.693 20 30 FDEDRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C(=O)[O-] ZINC000739116574 602925353 /nfs/dbraw/zinc/92/53/53/602925353.db2.gz ZMSRGSHRPKRLFK-SECBINFHSA-N -1 0 350.762 1.361 20 30 FDEDRM CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739494525 602993771 /nfs/dbraw/zinc/99/37/71/602993771.db2.gz OEXMPHIMPFHWSK-TXEJJXNPSA-N -1 0 374.397 1.495 20 30 FDEDRM N#Cc1cccnc1N1CCN(C(=O)NC2CCC(NC(=O)[O-])CC2)CC1 ZINC000740322122 603106576 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984568053 /nfs/dbraw/zinc/56/80/53/984568053.db2.gz HODHFCCLBWGXBS-ZFWWWQNUSA-N -1 0 361.398 1.604 20 30 FDEDRM C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001588919466 984572381 /nfs/dbraw/zinc/57/23/81/984572381.db2.gz AIGJGYJQASHQSY-XYPHTWIQSA-N -1 0 359.426 1.948 20 30 FDEDRM CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001588924709 984582827 /nfs/dbraw/zinc/58/28/27/984582827.db2.gz BVRSUVCAUCIRKB-JTQLQIEISA-N -1 0 365.329 1.456 20 30 FDEDRM CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC001588932038 984605353 /nfs/dbraw/zinc/60/53/53/984605353.db2.gz JFBMLGLITCZQIG-MRXNPFEDSA-N -1 0 353.371 1.122 20 30 FDEDRM CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC001588932361 984607768 /nfs/dbraw/zinc/60/77/68/984607768.db2.gz SUUAWYCJOCHCMP-HNNXBMFYSA-N -1 0 365.451 1.960 20 30 FDEDRM CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC001588932600 984609404 /nfs/dbraw/zinc/60/94/04/984609404.db2.gz ZSBVKEQZNDZDPC-UHFFFAOYSA-N -1 0 363.435 1.858 20 30 FDEDRM C[C@H](NC(=O)[C@H](C)NC(=O)NC(C)(C)Cc1ccc(C#N)cc1)C(=O)[O-] ZINC001599896530 984759122 /nfs/dbraw/zinc/75/91/22/984759122.db2.gz KXYPINRHWNTCTP-RYUDHWBXSA-N -1 0 360.414 1.156 20 30 FDEDRM C/C(=C\CNC(=O)COc1ccc(C#N)c(Br)c1)C(=O)[O-] ZINC001588967104 984765162 /nfs/dbraw/zinc/76/51/62/984765162.db2.gz OTAKCTZZIOSDRK-RUDMXATFSA-N -1 0 353.172 1.847 20 30 FDEDRM CCOC(=O)c1ccsc1NC(=O)CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001596733021 985013762 /nfs/dbraw/zinc/01/37/62/985013762.db2.gz RBBVMKRAJWAGLK-UHFFFAOYSA-N -1 0 365.411 1.554 20 30 FDEDRM C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC[C@H]1C(=O)[O-] ZINC001599914912 985040987 /nfs/dbraw/zinc/04/09/87/985040987.db2.gz WKETWHRCCVGXDS-DUVNUKRYSA-N -1 0 355.394 1.480 20 30 FDEDRM CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001596745045 985063383 /nfs/dbraw/zinc/06/33/83/985063383.db2.gz XZZWZFDLHOXYSA-RYUDHWBXSA-N -1 0 362.386 1.803 20 30 FDEDRM C[C@H]1CN(c2nnc(C(C)(C)C#N)n2C[C@@H]2CCOC2)CC[C@H]1C(=O)[O-] ZINC001599935081 985381000 /nfs/dbraw/zinc/38/10/00/985381000.db2.gz JWBLFOKXXHSRAE-MELADBBJSA-N -1 0 361.446 1.663 20 30 FDEDRM CCO[C@H]1C[C@@](NS(=O)(=O)Cc2csc(C#N)c2)(C(=O)[O-])C1(C)C ZINC001596836515 985484079 /nfs/dbraw/zinc/48/40/79/985484079.db2.gz DEAOSFVDDQHNIM-SWLSCSKDSA-N -1 0 372.468 1.698 20 30 FDEDRM Cc1[nH]c(C(=O)CN2CCN(c3ccc(C#N)cn3)CC2)c(C)c1C(=O)[O-] ZINC001599945821 985524838 /nfs/dbraw/zinc/52/48/38/985524838.db2.gz RRMUZCHTBYWIQH-UHFFFAOYSA-N -1 0 367.409 1.601 20 30 FDEDRM Cc1[nH]c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C)c1C(=O)[O-] ZINC001599950829 985603973 /nfs/dbraw/zinc/60/39/73/985603973.db2.gz KEVSLCUSFMWZJR-UHFFFAOYSA-N -1 0 353.382 1.559 20 30 FDEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000122951044 985680880 /nfs/dbraw/zinc/68/08/80/985680880.db2.gz CROQOSCQUDUZHK-KGLIPLIRSA-N -1 0 350.378 1.903 20 30 FDEDRM CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001589210687 985699323 /nfs/dbraw/zinc/69/93/23/985699323.db2.gz XKCIXEYVIXUEIY-LBPRGKRZSA-N -1 0 358.398 1.662 20 30 FDEDRM CCn1ncc(C([O-])=C(C#N)C(=O)NCCc2ccc(OC)cc2)c1C ZINC000870157339 985743926 /nfs/dbraw/zinc/74/39/26/985743926.db2.gz UKIDIJGLMGNWDI-INIZCTEOSA-N -1 0 354.410 1.901 20 30 FDEDRM CC(=O)c1cc(Br)ccc1OCC(=O)N(CC#N)CC(=O)[O-] ZINC001589253259 985873637 /nfs/dbraw/zinc/87/36/37/985873637.db2.gz AOKSJEOLYRDMDO-UHFFFAOYSA-N -1 0 369.171 1.467 20 30 FDEDRM CCc1ccccc1N1C[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)CC1=O ZINC000123095543 985957224 /nfs/dbraw/zinc/95/72/24/985957224.db2.gz VVZSGLIBALNMQD-GJZGRUSLSA-N -1 0 364.405 1.927 20 30 FDEDRM CCOCCCn1c(N2CC[C@@](F)(C(=O)[O-])C2)nnc1C(C)(C)C#N ZINC001596920796 985973056 /nfs/dbraw/zinc/97/30/56/985973056.db2.gz AMEVMAUSBVGANG-INIZCTEOSA-N -1 0 353.398 1.509 20 30 FDEDRM Cc1c(C#N)cccc1NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001599974979 986074263 /nfs/dbraw/zinc/07/42/63/986074263.db2.gz NQWCHOROFXIQTJ-UHFFFAOYSA-N -1 0 353.334 1.907 20 30 FDEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001599975931 986090519 /nfs/dbraw/zinc/09/05/19/986090519.db2.gz YXLRXQQPLSNTIO-GFCCVEGCSA-N -1 0 357.391 1.449 20 30 FDEDRM Cc1c2cc(C#N)ccc2sc1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001599980441 986155022 /nfs/dbraw/zinc/15/50/22/986155022.db2.gz MFISOPHNKBOHFF-UHFFFAOYSA-N -1 0 355.379 1.801 20 30 FDEDRM C[C@H](C#N)CN(C)S(=O)(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001589330500 986173399 /nfs/dbraw/zinc/17/33/99/986173399.db2.gz HNGQNKOHAAGRPR-KGLIPLIRSA-N -1 0 353.444 1.546 20 30 FDEDRM C[C@@H](C#N)CN(C)S(=O)(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001589330911 986180560 /nfs/dbraw/zinc/18/05/60/986180560.db2.gz UTXNCXXYWLCWIK-NSHDSACASA-N -1 0 365.411 1.599 20 30 FDEDRM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC000870692778 986232819 /nfs/dbraw/zinc/23/28/19/986232819.db2.gz NRLOERKPCAZFSV-HNNXBMFYSA-N -1 0 351.428 1.563 20 30 FDEDRM C=CC1(S(=O)(=O)[N-]C(=O)CCn2cnc3c(C)cccc3c2=O)CC1 ZINC000870831761 986393280 /nfs/dbraw/zinc/39/32/80/986393280.db2.gz DVCUZZWOBHEEBH-UHFFFAOYSA-N -1 0 361.423 1.260 20 30 FDEDRM C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000870835209 986399789 /nfs/dbraw/zinc/39/97/89/986399789.db2.gz GIMHMITZLOIMAF-OAHLLOKOSA-N -1 0 352.431 1.955 20 30 FDEDRM C=CC1(S(=O)(=O)[N-]C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)CC1 ZINC000870835226 986399942 /nfs/dbraw/zinc/39/99/42/986399942.db2.gz HRVZDJXJMYTBGT-UHFFFAOYSA-N -1 0 371.480 1.576 20 30 FDEDRM C=CC1(S(=O)(=O)[N-]C(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000870838158 986404691 /nfs/dbraw/zinc/40/46/91/986404691.db2.gz NTIIVZJPWSELCG-LLVKDONJSA-N -1 0 362.423 1.356 20 30 FDEDRM C=CC1(S(=O)(=O)[N-]C(=O)c2c(C)nn(C3CCOCC3)c2C)CC1 ZINC000870839391 986406361 /nfs/dbraw/zinc/40/63/61/986406361.db2.gz KDLWEXSKKZCVKC-UHFFFAOYSA-N -1 0 353.444 1.630 20 30 FDEDRM C[C@H](C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)n1cnc(C#N)n1 ZINC001589369161 986410956 /nfs/dbraw/zinc/41/09/56/986410956.db2.gz RMHYJGXXKYEPCL-DDTOSNHZSA-N -1 0 373.800 1.691 20 30 FDEDRM C[C@H](C(=O)NCC(=O)[O-])N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001589400356 986566813 /nfs/dbraw/zinc/56/68/13/986566813.db2.gz KMNZDZRRQXSCAP-IUODEOHRSA-N -1 0 364.833 1.112 20 30 FDEDRM C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])n1cnc(C#N)n1 ZINC001589423144 986674784 /nfs/dbraw/zinc/67/47/84/986674784.db2.gz FQMOGUXCBHTFDD-HZMBPMFUSA-N -1 0 352.354 1.004 20 30 FDEDRM CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)cc1 ZINC001597106199 986745067 /nfs/dbraw/zinc/74/50/67/986745067.db2.gz LUZOIKLHPHHULN-MRXNPFEDSA-N -1 0 373.409 1.655 20 30 FDEDRM CCOc1ccc(N2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)nn1 ZINC001597111259 986762784 /nfs/dbraw/zinc/76/27/84/986762784.db2.gz JYUNZUHPYYGJPL-SFHVURJKSA-N -1 0 367.409 1.695 20 30 FDEDRM COC(=O)CCN(CC#N)C(=O)c1cc(Br)c(F)cc1[O-] ZINC000871345481 986913681 /nfs/dbraw/zinc/91/36/81/986913681.db2.gz YWHQOEOOOHZQBA-UHFFFAOYSA-N -1 0 359.151 1.823 20 30 FDEDRM C[C@@H](C(=O)[O-])N(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCC1 ZINC001589472563 986967241 /nfs/dbraw/zinc/96/72/41/986967241.db2.gz RFIGPGGTIOJYFZ-LBPRGKRZSA-N -1 0 364.423 1.327 20 30 FDEDRM CCS(=O)(=O)N1CCC(CNc2ccc(C(=O)[O-])nc2C#N)CC1 ZINC001597220091 987151693 /nfs/dbraw/zinc/15/16/93/987151693.db2.gz ZBCUMHOBZYLDAH-UHFFFAOYSA-N -1 0 352.416 1.125 20 30 FDEDRM C#CCCN1CCN(S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)CC1 ZINC000871830931 987280226 /nfs/dbraw/zinc/28/02/26/987280226.db2.gz BESJVOQBGGWJFD-UHFFFAOYSA-N -1 0 354.403 1.162 20 30 FDEDRM C#CCn1ccc(CN(CC)S(=O)(=O)c2cccc(C(=O)[O-])c2C)n1 ZINC000871952541 987363536 /nfs/dbraw/zinc/36/35/36/987363536.db2.gz GCFOTSSKYYODNF-UHFFFAOYSA-N -1 0 361.423 1.734 20 30 FDEDRM C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)C1=O ZINC000871955677 987366713 /nfs/dbraw/zinc/36/67/13/987366713.db2.gz QXIYFZJZECZMSV-CQSZACIVSA-N -1 0 352.412 1.101 20 30 FDEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)C(=O)NCc2cccc(C#N)c2)n1 ZINC001589648994 987584579 /nfs/dbraw/zinc/58/45/79/987584579.db2.gz JJWCMOQWJYZATR-UHFFFAOYSA-N -1 0 372.406 1.632 20 30 FDEDRM CCc1ccc(CN(C)C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001597524689 988163175 /nfs/dbraw/zinc/16/31/75/988163175.db2.gz GQFWNRRYMDOQPD-UHFFFAOYSA-N -1 0 357.410 1.424 20 30 FDEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 ZINC001599810080 988318629 /nfs/dbraw/zinc/31/86/29/988318629.db2.gz DDXOGKRMJMNEDU-ZWNOBZJWSA-N -1 0 359.411 1.765 20 30 FDEDRM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC12CC(C(=O)[O-])C2 ZINC001589862695 988454808 /nfs/dbraw/zinc/45/48/08/988454808.db2.gz ZHFCECCEPPKHJJ-MLZJXEJWSA-N -1 0 373.409 1.781 20 30 FDEDRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)c1ccc(F)c(C#N)c1 ZINC001589884202 988566457 /nfs/dbraw/zinc/56/64/57/988566457.db2.gz YZWNUKWTYVDSQP-UHFFFAOYSA-N -1 0 350.346 1.956 20 30 FDEDRM CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1C#N ZINC001599827317 988616854 /nfs/dbraw/zinc/61/68/54/988616854.db2.gz BWSMAKIARSXXAV-OTYXRUKQSA-N -1 0 361.423 1.867 20 30 FDEDRM CC(C)(C)OC(=O)N1CCN(CN2CCC(C#N)(C(=O)[O-])CC2)C1=O ZINC001590058571 989103436 /nfs/dbraw/zinc/10/34/36/989103436.db2.gz OSLDTYHGSHIMMP-UHFFFAOYSA-N -1 0 352.391 1.307 20 30 FDEDRM CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N(CC#N)CCC(=O)[O-] ZINC001590075329 989176501 /nfs/dbraw/zinc/17/65/01/989176501.db2.gz PZJFWKOOFPGVLN-GFCCVEGCSA-N -1 0 371.459 1.556 20 30 FDEDRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC#N)C(F)(F)F ZINC001590236349 989619191 /nfs/dbraw/zinc/61/91/91/989619191.db2.gz DKQCTBHOHCUJOO-YUMQZZPRSA-N -1 0 353.297 1.315 20 30 FDEDRM CCn1cc(C#N)c(=O)n(Cc2ccc(C(=O)[O-])c3cccnc23)c1=O ZINC001597870667 989676138 /nfs/dbraw/zinc/67/61/38/989676138.db2.gz LYVSYRLGGPXAJB-UHFFFAOYSA-N -1 0 350.334 1.196 20 30 FDEDRM CC(C)(C)c1csc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1C#N ZINC001590536937 990149250 /nfs/dbraw/zinc/14/92/50/990149250.db2.gz IUSQMOYOKCLGMX-IAZYJMLFSA-N -1 0 361.423 1.645 20 30 FDEDRM C#C[C@@H](NC(=O)NCCOCC(=O)[O-])c1ccc(Br)cc1 ZINC000874408952 990261102 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20 30 FDEDRM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[n-]1 ZINC000593560928 552134461 /nfs/dbraw/zinc/13/44/61/552134461.db2.gz WGODOZMXIXJJGJ-HZPDHXFCSA-N -1 0 366.425 2.096 20 30 FDEDRM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[n-]1 ZINC000593639348 552159741 /nfs/dbraw/zinc/15/97/41/552159741.db2.gz KUFVLLJJXGEJJT-OAHLLOKOSA-N -1 0 352.398 1.863 20 30 FDEDRM CCOC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)n1 ZINC000594463422 552315873 /nfs/dbraw/zinc/31/58/73/552315873.db2.gz YAJOKUGEDLHCBP-UHFFFAOYSA-N -1 0 364.383 1.127 20 30 FDEDRM N#Cc1ccc2c(c1)CN(C(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C2 ZINC000594539554 552331459 /nfs/dbraw/zinc/33/14/59/552331459.db2.gz CJDVWCHJJOYDGE-ZDUSSCGKSA-N -1 0 355.394 1.504 20 30 FDEDRM C=CCCn1cc(CS(=O)(=O)Cc2cc([O-])ccc2[N+](=O)[O-])nn1 ZINC000594572326 552335051 /nfs/dbraw/zinc/33/50/51/552335051.db2.gz WYECXGKTWOWDLF-UHFFFAOYSA-N -1 0 352.372 1.583 20 30 FDEDRM Cc1ncc(S(=O)(=O)N2CCC(C[C@@H](C)C(=O)[O-])CC2)cc1C#N ZINC000594572974 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353.373 2.000 20 30 FDEDRM C[C@@H](NC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1)c1cccc(C#N)c1 ZINC000595275966 552510497 /nfs/dbraw/zinc/51/04/97/552510497.db2.gz SVMVTUUBERXQMW-CYBMUJFWSA-N -1 0 357.410 1.839 20 30 FDEDRM N#Cc1cnc2c(F)c(F)c(F)cc2c1N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1O ZINC000595981594 552640859 /nfs/dbraw/zinc/64/08/59/552640859.db2.gz YEDFOFUQQWRCAP-PFZYVWIYSA-N -1 0 351.284 1.582 20 30 FDEDRM C[C@]1(C#N)CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC000595988423 552641463 /nfs/dbraw/zinc/64/14/63/552641463.db2.gz NJMZTNZGVRCSQA-ZRGWGRIASA-N -1 0 355.394 1.075 20 30 FDEDRM C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC000595990777 552641787 /nfs/dbraw/zinc/64/17/87/552641787.db2.gz RLLKXDMIPCIUAR-HXUWFJFHSA-N -1 0 369.421 1.853 20 30 FDEDRM CCN(C[C@H](C)C#N)S(=O)(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000596027180 552646160 /nfs/dbraw/zinc/64/61/60/552646160.db2.gz QQVPBFRSZCLFGG-IUODEOHRSA-N -1 0 351.428 1.397 20 30 FDEDRM N#Cc1ccc(S(=O)(=O)NC[C@@H](CCC(=O)[O-])C(F)(F)F)cn1 ZINC000596035260 552647590 /nfs/dbraw/zinc/64/75/90/552647590.db2.gz LCIJHFUSAZGBGB-MRVPVSSYSA-N -1 0 351.306 1.275 20 30 FDEDRM CC(C)(C)OC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)n1 ZINC000596048055 552649530 /nfs/dbraw/zinc/64/95/30/552649530.db2.gz WKUGNZSXWKULRH-UHFFFAOYSA-N -1 0 362.411 1.897 20 30 FDEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000596129017 552658391 /nfs/dbraw/zinc/65/83/91/552658391.db2.gz CIAHWPZOHYWIHA-KRWDZBQOSA-N -1 0 371.437 1.912 20 30 FDEDRM N#Cc1ccc(CN2CCN(C(=O)NC[C@H](C(=O)[O-])C3CCC3)CC2)cc1 ZINC000596651131 552697022 /nfs/dbraw/zinc/69/70/22/552697022.db2.gz PQKJIQAAUOLDSJ-SFHVURJKSA-N -1 0 370.453 1.886 20 30 FDEDRM CC(C)CCc1n[n-]c(=NC(=O)NCCCc2[nH]nc(N)c2C#N)s1 ZINC000596964787 552729634 /nfs/dbraw/zinc/72/96/34/552729634.db2.gz LUOHKWCXORIEDO-UHFFFAOYSA-N -1 0 362.463 1.480 20 30 FDEDRM Cn1[n-]c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1=O ZINC000597549909 552803163 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C[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1c1cccc(F)c1 ZINC000602107837 553520066 /nfs/dbraw/zinc/52/00/66/553520066.db2.gz PAEFOLGANLZAEZ-MEDUHNTESA-N -1 0 356.357 1.569 20 30 FDEDRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000602106464 553520114 /nfs/dbraw/zinc/52/01/14/553520114.db2.gz MIFTYOCUEVMPOP-WBMJQRKESA-N -1 0 370.384 1.959 20 30 FDEDRM N#Cc1cn(CCC(=O)N2CC[C@H](Cc3ccccc3)C2)c(=O)[n-]c1=O ZINC000602109385 553520391 /nfs/dbraw/zinc/52/03/91/553520391.db2.gz JRAIXHFAQIPMSU-OAHLLOKOSA-N -1 0 352.394 1.302 20 30 FDEDRM Cc1ccc(C(C)(C)CN(C)C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)cc1 ZINC000602110442 553520806 /nfs/dbraw/zinc/52/08/06/553520806.db2.gz ZHNWRNRLIKUUOZ-UHFFFAOYSA-N -1 0 368.437 1.955 20 30 FDEDRM N#Cc1cn(CC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c(=O)[n-]c1=O ZINC000602118596 553521813 /nfs/dbraw/zinc/52/18/13/553521813.db2.gz UGEUWXHIFKXIQQ-OAHLLOKOSA-N -1 0 356.357 1.713 20 30 FDEDRM N#Cc1cn(CC(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c(=O)[n-]c1=O ZINC000602156743 553530763 /nfs/dbraw/zinc/53/07/63/553530763.db2.gz YLQSPLRNXYORAQ-GFCCVEGCSA-N -1 0 358.785 1.490 20 30 FDEDRM N#Cc1cn(CCC(=O)N2CCc3cccc(Cl)c3C2)c(=O)[n-]c1=O ZINC000602161121 553531496 /nfs/dbraw/zinc/53/14/96/553531496.db2.gz DJYBKMJJIWFKFL-UHFFFAOYSA-N -1 0 358.785 1.449 20 30 FDEDRM C[C@]1(c2cccc(F)c2)CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000602171651 553533595 /nfs/dbraw/zinc/53/35/95/553533595.db2.gz NPYCHIUPBIDVSG-IBGZPJMESA-N -1 0 370.384 1.540 20 30 FDEDRM C[C@@H]1CSc2ccccc2N(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000602176376 553534188 /nfs/dbraw/zinc/53/41/88/553534188.db2.gz JXWBPZABEWJVCP-LBPRGKRZSA-N -1 0 370.434 1.986 20 30 FDEDRM CC1(C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCc2ccccc21 ZINC000602179885 553534786 /nfs/dbraw/zinc/53/47/86/553534786.db2.gz SUZHXKQYQVQZJT-UHFFFAOYSA-N -1 0 366.421 1.573 20 30 FDEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(Cn2cccnc2=O)c1 ZINC000603983182 553834241 /nfs/dbraw/zinc/83/42/41/553834241.db2.gz YZYGDMVORJDUNI-UHFFFAOYSA-N -1 0 366.402 1.964 20 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VJHBENFFCFYQKI-CYBMUJFWSA-N -1 0 366.377 1.511 20 30 FDEDRM N#Cc1cn(CCC(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)c(=O)[n-]c1=O ZINC001147588468 952447994 /nfs/dbraw/zinc/44/79/94/952447994.db2.gz NONXFXVHWVAGCY-HIFRSBDPSA-N -1 0 360.414 1.018 20 30 FDEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1(OCCO)CCC(F)(F)CC1 ZINC001147903885 952574827 /nfs/dbraw/zinc/57/48/27/952574827.db2.gz CWHZJMAONNRFSL-UHFFFAOYSA-N -1 0 369.368 1.654 20 30 FDEDRM N#Cc1cn(CCNC(=O)CCc2cncc3ccccc32)c(=O)[n-]c1=O ZINC001148392814 952708001 /nfs/dbraw/zinc/70/80/01/952708001.db2.gz JVPJQMVOGZWWCO-UHFFFAOYSA-N -1 0 363.377 1.118 20 30 FDEDRM C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001602933099 971899063 /nfs/dbraw/zinc/89/90/63/971899063.db2.gz WTMZMOADZBMXNI-IUODEOHRSA-N -1 0 356.382 1.888 20 30 FDEDRM C[C@H]1C[C@H](C(=O)[O-])CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC001589278889 953477605 /nfs/dbraw/zinc/47/76/05/953477605.db2.gz JNZWCERGKGMQRM-KBPBESRZSA-N -1 0 367.409 1.725 20 30 FDEDRM C[C@@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC[C@H]1C(=O)[O-] ZINC001589384129 954303390 /nfs/dbraw/zinc/30/33/90/954303390.db2.gz WGPHEHOAEIRBNX-BXUZGUMPSA-N -1 0 354.370 1.713 20 30 FDEDRM CC[C@@H](CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001589514808 955060689 /nfs/dbraw/zinc/06/06/89/955060689.db2.gz OYXFZNUCJZXPBT-AWEZNQCLSA-N -1 0 352.431 1.864 20 30 FDEDRM Cn1c(C#N)ccc1C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-] ZINC001594517836 955430313 /nfs/dbraw/zinc/43/03/13/955430313.db2.gz NQGHYTRNHXSGFB-AWEZNQCLSA-N -1 0 355.350 1.213 20 30 FDEDRM C#CCCCCNC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000840987790 955569906 /nfs/dbraw/zinc/56/99/06/955569906.db2.gz NEMDYCXPXQHKQV-HZPDHXFCSA-N -1 0 357.410 1.516 20 30 FDEDRM COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001593867666 955601022 /nfs/dbraw/zinc/60/10/22/955601022.db2.gz IZQGZTHBOMGGID-CMPLNLGQSA-N -1 0 366.395 1.076 20 30 FDEDRM COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC001593867649 955601030 /nfs/dbraw/zinc/60/10/30/955601030.db2.gz IDXATJQDJNSJEC-UHFFFAOYSA-N -1 0 352.368 1.021 20 30 FDEDRM COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC1(CC(=O)[O-])CCC1 ZINC001593867760 955602171 /nfs/dbraw/zinc/60/21/71/955602171.db2.gz LZIQMOLYNXXAMV-UHFFFAOYSA-N -1 0 352.368 1.021 20 30 FDEDRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)c3cccc(F)c3C#N)C2)cn1 ZINC001594540482 955636489 /nfs/dbraw/zinc/63/64/89/955636489.db2.gz QUCVMNSCEUAGDU-NEPJUHHUSA-N -1 0 356.357 1.761 20 30 FDEDRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(C#N)cc1I ZINC001593913096 955989573 /nfs/dbraw/zinc/98/95/73/955989573.db2.gz SBRJZGWIZYMMTG-VIFPVBQESA-N -1 0 360.107 1.201 20 30 FDEDRM N#C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1cccc(C(F)(F)F)c1 ZINC001594602704 956149803 /nfs/dbraw/zinc/14/98/03/956149803.db2.gz YXEXGQPVRVTRGI-JTQLQIEISA-N -1 0 353.260 1.376 20 30 FDEDRM N#CCOc1ccc(CC(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)cc1 ZINC001594609799 956195871 /nfs/dbraw/zinc/19/58/71/956195871.db2.gz LLVFTJXBIIGQAR-UHFFFAOYSA-N -1 0 356.338 1.195 20 30 FDEDRM N#CCc1ccccc1S(=O)(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594611250 956212844 /nfs/dbraw/zinc/21/28/44/956212844.db2.gz PLLASYBHAUSMNO-XOYHFGRZSA-N -1 0 364.423 1.443 20 30 FDEDRM N#Cc1cc(Br)ccc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594614329 956231055 /nfs/dbraw/zinc/23/10/55/956231055.db2.gz RLISGTSCZLBRHW-GFCCVEGCSA-N -1 0 373.228 1.004 20 30 FDEDRM N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3CC(C(=O)[O-])=NO3)cc2)ccn1 ZINC001594617333 956247755 /nfs/dbraw/zinc/24/77/55/956247755.db2.gz GWXOUNSULVQSEZ-HNNXBMFYSA-N -1 0 352.306 1.914 20 30 FDEDRM N#Cc1ccc(-n2nccc2NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001594617570 956250693 /nfs/dbraw/zinc/25/06/93/956250693.db2.gz PGMFKRMNZJYZMY-ZFWWWQNUSA-N -1 0 354.366 1.952 20 30 FDEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594626432 956318790 /nfs/dbraw/zinc/31/87/90/956318790.db2.gz AVQRDJFAQOFJTA-GMBSWORKSA-N -1 0 355.394 1.678 20 30 FDEDRM N#Cc1cccc(-c2cc(C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)on2)c1 ZINC001594627024 956320543 /nfs/dbraw/zinc/32/05/43/956320543.db2.gz KLRJLYSLOQJGGT-UGSOOPFHSA-N -1 0 353.334 1.386 20 30 FDEDRM N#Cc1ccnc(C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1 ZINC001594631757 956345364 /nfs/dbraw/zinc/34/53/64/956345364.db2.gz MFHPCFBKLJWHOA-GOEBONIOSA-N -1 0 364.361 1.110 20 30 FDEDRM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C2(CC(=O)[O-])CCC2)CC1 ZINC001594634964 956366212 /nfs/dbraw/zinc/36/62/12/956366212.db2.gz SVLZVCNOISGWJX-UHFFFAOYSA-N -1 0 358.398 1.717 20 30 FDEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc3n(n2)CCO3)ccc1Br ZINC001197286770 972197716 /nfs/dbraw/zinc/19/77/16/972197716.db2.gz GBBMZKHWBFWFLZ-UHFFFAOYSA-N -1 0 369.200 1.710 20 30 FDEDRM C[C@@H](CC(=O)[O-])NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N ZINC001603124832 972210335 /nfs/dbraw/zinc/21/03/35/972210335.db2.gz SXFVJFLOXZCVIL-HYONLYSNSA-N -1 0 365.430 1.753 20 30 FDEDRM C=CCC1(C(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)CCOCC1 ZINC000902745699 956790447 /nfs/dbraw/zinc/79/04/47/956790447.db2.gz UCKZQEATSXMLMG-SHYRYGCCSA-N 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ZINC001588417353 958170597 /nfs/dbraw/zinc/17/05/97/958170597.db2.gz KCAHKHWXQAYEJZ-UHFFFAOYSA-N -1 0 350.172 1.496 20 30 FDEDRM C#CCN(CC(=O)[O-])CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC001588420110 958198447 /nfs/dbraw/zinc/19/84/47/958198447.db2.gz MEKQTWWRWVVQCB-UHFFFAOYSA-N -1 0 354.410 1.756 20 30 FDEDRM C#CCN(CC(=O)[O-])[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC001588420378 958205268 /nfs/dbraw/zinc/20/52/68/958205268.db2.gz XNFMNDMUZDAPCP-CYBMUJFWSA-N -1 0 356.300 1.710 20 30 FDEDRM Cc1ccc(-n2nc(CCCNC(=O)CCC(=O)[O-])c(C#N)c2N)cc1 ZINC001594338553 958286065 /nfs/dbraw/zinc/28/60/65/958286065.db2.gz OVYWTXOYAJJRLS-UHFFFAOYSA-N -1 0 355.398 1.548 20 30 FDEDRM C=CC[C@]1(C(=O)NC[C@](C)(O)C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588457557 958452200 /nfs/dbraw/zinc/45/22/00/958452200.db2.gz FRIDZJFUUZVLTH-DLBZAZTESA-N -1 0 356.419 1.284 20 30 FDEDRM C#CCn1ccc(CN(CCOC)C(=O)C2(C(=O)[O-])CCCCCC2)n1 ZINC001573327295 958487661 /nfs/dbraw/zinc/48/76/61/958487661.db2.gz JXRTWULMUPLFIT-UHFFFAOYSA-N -1 0 361.442 1.917 20 30 FDEDRM C=CCN1C(=O)c2ccc(C(=O)Nc3ncccc3C(=O)[O-])cc2C1=O ZINC001588464437 958491963 /nfs/dbraw/zinc/49/19/63/958491963.db2.gz QUXYHENSKICBGU-UHFFFAOYSA-N -1 0 351.318 1.814 20 30 FDEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001573363072 958604886 /nfs/dbraw/zinc/60/48/86/958604886.db2.gz HUOLBNAJYNESFQ-KRWDZBQOSA-N -1 0 367.352 1.422 20 30 FDEDRM Cc1nc(C(=O)N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)ccc1C#N ZINC001594446278 959331910 /nfs/dbraw/zinc/33/19/10/959331910.db2.gz BCMSYVLDFZENQL-KBPBESRZSA-N -1 0 353.382 1.326 20 30 FDEDRM C[C@H](CN(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)[O-] ZINC001573588712 959387574 /nfs/dbraw/zinc/38/75/74/959387574.db2.gz VLGRTLNBPBMNTG-GFCCVEGCSA-N -1 0 352.412 1.557 20 30 FDEDRM N#C[C@@H]1CN(C(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc2)CCO1 ZINC001181014432 960504731 /nfs/dbraw/zinc/50/47/31/960504731.db2.gz PDRMGWYTXHNBRN-CHWSQXEVSA-N -1 0 355.316 1.547 20 30 FDEDRM 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C=CCn1c(C[C@@H](C)c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588897988 984515364 /nfs/dbraw/zinc/51/53/64/984515364.db2.gz PZYYDZUJZHBTBR-UMVBOHGHSA-N -1 0 358.446 1.701 20 30 FDEDRM C=CCn1c([C@H]2C[C@@H]3C[C@H](O)[C@@H]3C2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588898488 984519276 /nfs/dbraw/zinc/51/92/76/984519276.db2.gz ZRPQBOVYNYDZDA-AQGHMYMLSA-N -1 0 360.458 1.886 20 30 FDEDRM C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001588898494 984519319 /nfs/dbraw/zinc/51/93/19/984519319.db2.gz ZTJCCGYISUKSLQ-BLLLJJGKSA-N -1 0 363.443 1.842 20 30 FDEDRM C=CCn1c(CO)nnc1N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001588900749 984522270 /nfs/dbraw/zinc/52/22/70/984522270.db2.gz MZFVOIJRWMNVDP-UHFFFAOYSA-N -1 0 357.414 1.736 20 30 FDEDRM C=CCn1c(Cc2cccc(OC)c2O)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588904104 984527062 /nfs/dbraw/zinc/52/70/62/984527062.db2.gz HOAGWTPIGYJGDX-ZDUSSCGKSA-N -1 0 358.398 1.680 20 30 FDEDRM C=CCn1c(N2CCC[C@](C)(C(=O)[O-])C2)nnc1[C@]1(C)CCC(=O)NC1 ZINC001588904642 984531351 /nfs/dbraw/zinc/53/13/51/984531351.db2.gz YLKURBBYLALPBJ-MSOLQXFVSA-N -1 0 361.446 1.323 20 30 FDEDRM C=CCn1c(N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)nnc1[C@]1(C)CCC(=O)NC1 ZINC001588905195 984536104 /nfs/dbraw/zinc/53/61/04/984536104.db2.gz SIVHOVNQCROUAY-RZAIGCCYSA-N -1 0 361.446 1.179 20 30 FDEDRM C=CCn1cc(CNC(=O)N2CCOc3c(cccc3C(=O)[O-])C2)nn1 ZINC001588909372 984543407 /nfs/dbraw/zinc/54/34/07/984543407.db2.gz RHYCKSMARFFGCU-UHFFFAOYSA-N -1 0 357.370 1.267 20 30 FDEDRM C=CCn1c([C@H]2CCC(=O)N2C(C)C)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588909799 984545456 /nfs/dbraw/zinc/54/54/56/984545456.db2.gz ARUIJSAJFLKNKE-PXAZEXFGSA-N -1 0 365.409 1.539 20 30 FDEDRM C=CCn1c([C@@H]2CC=C[C@H](O)C2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588910406 984549026 /nfs/dbraw/zinc/54/90/26/984549026.db2.gz XHBIESASIPSVAY-FXUDXRNXSA-N -1 0 358.442 1.806 20 30 FDEDRM C=CCn1nnn(CN2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1=S ZINC001588912398 984551596 /nfs/dbraw/zinc/55/15/96/984551596.db2.gz IOUICOMDVDTXQR-SNVBAGLBSA-N -1 0 366.472 1.987 20 30 FDEDRM C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])[nH]n2)c1C ZINC001588912920 984553187 /nfs/dbraw/zinc/55/31/87/984553187.db2.gz SLMOBJNGNGPPQI-XHDPSFHLSA-N -1 0 359.386 1.048 20 30 FDEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001588913721 984556255 /nfs/dbraw/zinc/55/62/55/984556255.db2.gz KGDUEMUQQBNVFC-OLZOCXBDSA-N -1 0 350.346 1.621 20 30 FDEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001588916315 984559604 /nfs/dbraw/zinc/55/96/04/984559604.db2.gz FOXRDTYWUZAGBC-ZANVPECISA-N -1 0 352.774 1.684 20 30 FDEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588917855 984567682 /nfs/dbraw/zinc/56/76/82/984567682.db2.gz DUBVVLTZAIBSFC-TUAOUCFPSA-N -1 0 351.428 1.931 20 30 FDEDRM CCOC(=O)c1c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c(C#N)cn1CCOC ZINC001596699727 984867235 /nfs/dbraw/zinc/86/72/35/984867235.db2.gz DBKMQFDNDAJFJB-NWDGAFQWSA-N -1 0 363.370 1.232 20 30 FDEDRM CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@H]1c1ccc(O[C@H]2CCOC2)cc1 ZINC001589026387 985043877 /nfs/dbraw/zinc/04/38/77/985043877.db2.gz GGQARUZKTAQURS-JSGCOSHPSA-N -1 0 362.407 1.301 20 30 FDEDRM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(CC#N)CCC(=O)[O-] ZINC001589115705 985368266 /nfs/dbraw/zinc/36/82/66/985368266.db2.gz QKIYRJPDNDYTSF-INIZCTEOSA-N -1 0 356.382 1.042 20 30 FDEDRM C[C@H]1CN(c2nnc(CCCC#N)n2C[C@@H]2CCCO2)C[C@]1(C)C(=O)[O-] ZINC001599936042 985396539 /nfs/dbraw/zinc/39/65/39/985396539.db2.gz WGELBKHZMXLOBJ-DEYYWGMASA-N -1 0 361.446 1.850 20 30 FDEDRM CCc1ccc(N2C[C@H](C(=O)C(C#N)=C([O-])c3nccn3C)CC2=O)cc1 ZINC000122819991 985420380 /nfs/dbraw/zinc/42/03/80/985420380.db2.gz OOJXPJQXHHHWST-ZBFHGGJFSA-N -1 0 364.405 1.927 20 30 FDEDRM Cc1csc(C(C#N)=C([O-])COC(=O)/C=C\COC2CCOCC2)n1 ZINC000870039723 985548524 /nfs/dbraw/zinc/54/85/24/985548524.db2.gz PSLYVXQUIOSNBK-SFAKSCPVSA-N -1 0 364.423 1.923 20 30 FDEDRM COC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CCCOC1 ZINC000885747745 985585119 /nfs/dbraw/zinc/58/51/19/985585119.db2.gz QZVSLSVNPNGREF-RISCZKNCSA-N -1 0 360.382 1.556 20 30 FDEDRM COCCCNC(=O)C(C#N)=C([O-])c1cnn(C(C)C)c1Br ZINC000870133919 985706560 /nfs/dbraw/zinc/70/65/60/985706560.db2.gz GKZLJASXVWBVPY-SNVBAGLBSA-N -1 0 371.235 1.702 20 30 FDEDRM CCOC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001596892269 985825977 /nfs/dbraw/zinc/82/59/77/985825977.db2.gz CROGFGRKKAWFJV-ZDUSSCGKSA-N -1 0 352.412 1.836 20 30 FDEDRM C=CCS(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000870257421 985844689 /nfs/dbraw/zinc/84/46/89/985844689.db2.gz VEXNMGPJDVJVJR-FRRDWIJNSA-N -1 0 356.241 1.967 20 30 FDEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000870330613 985919068 /nfs/dbraw/zinc/91/90/68/985919068.db2.gz UWSYXWFTNCPCSR-ZIAGYGMSSA-N -1 0 350.440 1.383 20 30 FDEDRM C=CCn1c(=O)c2ccc(C(=O)NCC[C@H](O)C(F)F)cc2[n-]c1=S ZINC000870413221 985987207 /nfs/dbraw/zinc/98/72/07/985987207.db2.gz DATJPMXJWPYXGA-LBPRGKRZSA-N -1 0 369.393 1.617 20 30 FDEDRM Cc1c(C(=O)N2CCOc3ccccc3[C@H]2C(=O)[O-])cnn1CCC#N ZINC001599976401 986099585 /nfs/dbraw/zinc/09/95/85/986099585.db2.gz HNIYJCDQRLYLKB-INIZCTEOSA-N -1 0 354.366 1.766 20 30 FDEDRM C[C@](C#N)(NC(=O)CN1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)C1CC1 ZINC001589323348 986144528 /nfs/dbraw/zinc/14/45/28/986144528.db2.gz ADILGAGLFKNZJB-PIGZYNQJSA-N -1 0 362.455 1.829 20 30 FDEDRM C[C@@H](C#N)CN(C)S(=O)(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001589330545 986174550 /nfs/dbraw/zinc/17/45/50/986174550.db2.gz JIAUBNNAJMSVLQ-JTQLQIEISA-N -1 0 361.370 1.188 20 30 FDEDRM C=CC1(S(=O)(=O)[N-]C(=O)[C@H](CCC)NC(=O)Cc2ccccc2)CC1 ZINC000870832318 986393715 /nfs/dbraw/zinc/39/37/15/986393715.db2.gz CDKDVVGWLYNIQB-HNNXBMFYSA-N -1 0 364.467 1.679 20 30 FDEDRM C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000870833933 986396094 /nfs/dbraw/zinc/39/60/94/986396094.db2.gz KGJCBDHCABTSJP-NSHDSACASA-N -1 0 357.453 1.358 20 30 FDEDRM C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC1 ZINC000870834628 986398384 /nfs/dbraw/zinc/39/83/84/986398384.db2.gz KKKHDKQLOVNRFB-CQSZACIVSA-N -1 0 363.439 1.098 20 30 FDEDRM C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000870835006 986398516 /nfs/dbraw/zinc/39/85/16/986398516.db2.gz YLDQIPYKTWBBOY-HNNXBMFYSA-N -1 0 362.451 1.651 20 30 FDEDRM CCS(=O)(=O)c1ccccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001597243693 987218794 /nfs/dbraw/zinc/21/87/94/987218794.db2.gz NGSOISNNXKZDDE-UHFFFAOYSA-N -1 0 350.396 1.311 20 30 FDEDRM CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001589554862 987304011 /nfs/dbraw/zinc/30/40/11/987304011.db2.gz RLYKDQJUVQVWAQ-UHFFFAOYSA-N -1 0 372.425 1.980 20 30 FDEDRM CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001589554976 987304679 /nfs/dbraw/zinc/30/46/79/987304679.db2.gz ZSLWUDLJZRWMDE-UHFFFAOYSA-N -1 0 369.324 1.633 20 30 FDEDRM Cc1cc(S(=O)(=O)N2CCSC[C@H]2C#N)cc(C(=O)[O-])c1Cl ZINC000871933129 987342858 /nfs/dbraw/zinc/34/28/58/987342858.db2.gz HKYIJDNBLXOAJW-SECBINFHSA-N -1 0 360.844 1.976 20 30 FDEDRM N#C[C@@H]1CSCCN1S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000871933299 987344059 /nfs/dbraw/zinc/34/40/59/987344059.db2.gz LBJQNUHFEOKQEI-SSDOTTSWSA-N -1 0 364.807 1.807 20 30 FDEDRM C#C[C@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000871952010 987363634 /nfs/dbraw/zinc/36/36/34/987363634.db2.gz WULJIZCMUNJORP-QMMMGPOBSA-N -1 0 351.302 1.926 20 30 FDEDRM CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C[C@H]1O ZINC001589731962 987951830 /nfs/dbraw/zinc/95/18/30/987951830.db2.gz JJUTUMNNIXRERE-UONOGXRCSA-N -1 0 366.439 1.674 20 30 FDEDRM CC(C)(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)[O-] ZINC001589743050 988019774 /nfs/dbraw/zinc/01/97/74/988019774.db2.gz BEKGPDVFHGXPRZ-HIFRSBDPSA-N -1 0 357.410 1.917 20 30 FDEDRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)COc1ccccc1C#N ZINC001589878864 988550942 /nfs/dbraw/zinc/55/09/42/988550942.db2.gz WZZHXYLHBMMHET-UHFFFAOYSA-N -1 0 362.382 1.582 20 30 FDEDRM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001589910154 988644062 /nfs/dbraw/zinc/64/40/62/988644062.db2.gz WXPYQUQBNDZZIB-UMSGYPCISA-N -1 0 351.403 1.363 20 30 FDEDRM C[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H]1C(=O)[O-] ZINC001599857513 989113454 /nfs/dbraw/zinc/11/34/54/989113454.db2.gz OCFQKKDUMXHWGR-LPWJVIDDSA-N -1 0 366.418 1.108 20 30 FDEDRM C[C@@H]1CN(c2nnc(C3(C#N)CCCC3)n2C[C@@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001599870008 989333786 /nfs/dbraw/zinc/33/37/86/989333786.db2.gz KQVGSGMFCHJWFR-QLFBSQMISA-N -1 0 373.457 1.807 20 30 FDEDRM C[C@@H]1CN(c2nnc([C@@H]3C[C@H]3C#N)n2C[C@H]2CCOC2)C[C@H]1CC(=O)[O-] ZINC001599870426 989341280 /nfs/dbraw/zinc/34/12/80/989341280.db2.gz RQYTUIONCPYILP-UXXRCYHCSA-N -1 0 359.430 1.489 20 30 FDEDRM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001590123959 989344079 /nfs/dbraw/zinc/34/40/79/989344079.db2.gz AQPCLDMJNVVBMA-JHJVBQTASA-N -1 0 369.418 1.010 20 30 FDEDRM N#Cc1cccnc1-n1cc(NC(=O)C(=O)[N-]OCc2ccccc2)cn1 ZINC000363789496 989439275 /nfs/dbraw/zinc/43/92/75/989439275.db2.gz OKYANSOJVYMHKI-UHFFFAOYSA-N -1 0 362.349 1.325 20 30 FDEDRM N#Cc1cccnc1N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000365009208 989953876 /nfs/dbraw/zinc/95/38/76/989953876.db2.gz MBYDQPXORMNPOL-UHFFFAOYSA-N -1 0 367.365 1.920 20 30 FDEDRM CN(C(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1nc(CC(=O)[O-])cs1 ZINC001597989940 990077271 /nfs/dbraw/zinc/07/72/71/990077271.db2.gz HQVVVGGTARBMAY-ZDUSSCGKSA-N -1 0 354.391 1.987 20 30 FDEDRM N#Cc1cc(F)ccc1N1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000874406312 990258943 /nfs/dbraw/zinc/25/89/43/990258943.db2.gz DFJMGTUEBAVRPW-UHFFFAOYSA-N -1 0 360.389 1.784 20 30 FDEDRM CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C(=O)[O-] ZINC001590705024 990439119 /nfs/dbraw/zinc/43/91/19/990439119.db2.gz GIIIGKFVTRJHQK-UHFFFAOYSA-N -1 0 368.187 1.486 20 30 FDEDRM CN([C@@H](COC1CCC1)C(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1 ZINC001598111083 990506487 /nfs/dbraw/zinc/50/64/87/990506487.db2.gz UUPUFSULHKYDPK-AWEZNQCLSA-N -1 0 358.460 1.744 20 30 FDEDRM CC(C)(CS(=O)(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C(=O)[O-] ZINC001590788499 990607784 /nfs/dbraw/zinc/60/77/84/990607784.db2.gz CCERCRFKNNPAQK-UHFFFAOYSA-N -1 0 366.439 1.842 20 30 FDEDRM CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)[O-])cc2F)c(=O)n1C ZINC001590928145 990939595 /nfs/dbraw/zinc/93/95/95/990939595.db2.gz UQHVWPHCUBKRDE-UHFFFAOYSA-N -1 0 374.393 1.012 20 30 FDEDRM CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001590948714 990997656 /nfs/dbraw/zinc/99/76/56/990997656.db2.gz AXISENVEJGTDNG-XLIONFOSSA-N -1 0 372.469 1.268 20 30 FDEDRM CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001590948712 990998018 /nfs/dbraw/zinc/99/80/18/990998018.db2.gz AXISENVEJGTDNG-FXAWDEMLSA-N -1 0 372.469 1.268 20 30 FDEDRM CC(C)C(=O)Nc1nc(CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cs1 ZINC001590948812 991000298 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CN1CCn2nc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)cc2C1 ZINC000872411845 987638952 /nfs/dbraw/zinc/63/89/52/987638952.db2.gz WSTJSHGHBOOGIZ-UHFFFAOYSA-N -1 0 351.819 1.654 20 30 FDEDRM CC(C)(C(=O)[O-])n1cc(NC(=O)NCc2cccc(OCC#N)c2)cn1 ZINC001589666531 987654365 /nfs/dbraw/zinc/65/43/65/987654365.db2.gz KVKMKSZTJNZKBH-UHFFFAOYSA-N -1 0 357.370 1.927 20 30 FDEDRM CSC[C@](C)(C#N)NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001599790924 988007110 /nfs/dbraw/zinc/00/71/10/988007110.db2.gz PGCYKDVVFGLPEK-AWEZNQCLSA-N -1 0 354.453 1.726 20 30 FDEDRM CCOc1ccc(-c2noc(Cn3cnc(-c4nnn[n-]4)c3C#N)n2)cc1 ZINC000825631914 988197051 /nfs/dbraw/zinc/19/70/51/988197051.db2.gz IRNLFDYHLNALOS-UHFFFAOYSA-N -1 0 363.341 1.432 20 30 FDEDRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3nc4c(cc3C#N)CCC4)C2)cn1 ZINC000873070469 988505962 /nfs/dbraw/zinc/50/59/62/988505962.db2.gz SOZXBCAGKJWXMG-LSDHHAIUSA-N -1 0 351.410 1.870 20 30 FDEDRM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCCCC(=O)[O-])C1 ZINC001589910054 988642998 /nfs/dbraw/zinc/64/29/98/988642998.db2.gz UHTYSJYNUQOVAL-NEPJUHHUSA-N -1 0 354.407 1.300 20 30 FDEDRM CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1 ZINC001589964878 988782573 /nfs/dbraw/zinc/78/25/73/988782573.db2.gz YXZQOBIEEGKVKS-FOLVSLTJSA-N -1 0 362.426 1.426 20 30 FDEDRM CC(C)(C)OC(=O)N1CCC(SCC(=O)N(CC#N)CC(=O)[O-])CC1 ZINC001589992096 988900588 /nfs/dbraw/zinc/90/05/88/988900588.db2.gz OTDKEFCHOGCVPQ-UHFFFAOYSA-N -1 0 371.459 1.556 20 30 FDEDRM CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)N(CC#N)CC(=O)[O-])C1 ZINC001590011482 988962944 /nfs/dbraw/zinc/96/29/44/988962944.db2.gz CIXJNOVBFFCDDX-KTRBRXNASA-N -1 0 351.403 1.626 20 30 FDEDRM C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@H]1CC(=O)[O-] ZINC001599862706 989196112 /nfs/dbraw/zinc/19/61/12/989196112.db2.gz UBOKYBZTJKILOX-GHMZBOCLSA-N -1 0 368.386 1.306 20 30 FDEDRM C[C@@H]1CN(c2nnc([C@@H]3C[C@@H]3C#N)n2C[C@@H]2CCCO2)C[C@H]1CC(=O)[O-] ZINC001599869762 989329154 /nfs/dbraw/zinc/32/91/54/989329154.db2.gz HOKFYWVOVZCJIR-ARILJUKYSA-N -1 0 359.430 1.631 20 30 FDEDRM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001590124078 989345285 /nfs/dbraw/zinc/34/52/85/989345285.db2.gz DTEHMIJOIBMFNF-STQMWFEESA-N -1 0 369.418 1.276 20 30 FDEDRM C[C@@H]1C[C@H](C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)O[C@H]1C(=O)[O-] ZINC001599873750 989389670 /nfs/dbraw/zinc/38/96/70/989389670.db2.gz LMDRLFLHQVRTDO-DAXOMENPSA-N -1 0 358.394 1.558 20 30 FDEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@@](O)(C4CC4)C3)cc2[n-]c1=S ZINC000370091948 989445358 /nfs/dbraw/zinc/44/53/58/989445358.db2.gz DFZJMPOPYSNUJP-IBGZPJMESA-N -1 0 371.462 1.858 20 30 FDEDRM CN(C(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(OCC(=O)[O-])cc1 ZINC001597981882 990047788 /nfs/dbraw/zinc/04/77/88/990047788.db2.gz HPMLHSAMSJOAGE-UHFFFAOYSA-N -1 0 353.330 1.893 20 30 FDEDRM CN(C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1nc(CC(=O)[O-])cs1 ZINC001597989937 990077358 /nfs/dbraw/zinc/07/73/58/990077358.db2.gz HQVVVGGTARBMAY-CYBMUJFWSA-N -1 0 354.391 1.987 20 30 FDEDRM CN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597990506 990083394 /nfs/dbraw/zinc/08/33/94/990083394.db2.gz PDZCJOIIHXDGAG-XBXGTLAGSA-N -1 0 359.382 1.629 20 30 FDEDRM CN(C(=O)CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)C1(C#N)CCCCC1 ZINC001598022823 990217590 /nfs/dbraw/zinc/21/75/90/990217590.db2.gz IRNWQQBJIIYUKH-AWEZNQCLSA-N -1 0 374.445 1.298 20 30 FDEDRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)NCC#Cc3ccccc3)C2)cn1 ZINC000874383992 990234021 /nfs/dbraw/zinc/23/40/21/990234021.db2.gz RLMQMXMEEHELMB-DLBZAZTESA-N -1 0 366.421 1.672 20 30 FDEDRM CN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598025435 990235351 /nfs/dbraw/zinc/23/53/51/990235351.db2.gz RHIRNKSEEMMVGR-KRWDZBQOSA-N -1 0 351.362 1.572 20 30 FDEDRM C=CCCSCCNC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC000874407673 990259942 /nfs/dbraw/zinc/25/99/42/990259942.db2.gz YJVWWXRBUBDMKO-KBPBESRZSA-N -1 0 366.487 1.929 20 30 FDEDRM CC(C)(CC#N)CS(=O)(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001590617095 990296698 /nfs/dbraw/zinc/29/66/98/990296698.db2.gz ZNEZUVOLWKBABM-UHFFFAOYSA-N -1 0 350.400 1.620 20 30 FDEDRM CN([C@@H](COC1CCC1)C(=O)[O-])S(=O)(=O)c1ccc(CCC#N)cc1 ZINC001598109075 990495954 /nfs/dbraw/zinc/49/59/54/990495954.db2.gz GMOVFEVHOCPPDH-INIZCTEOSA-N -1 0 366.439 1.786 20 30 FDEDRM CN([C@H](COC1CCC1)C(=O)[O-])S(=O)(=O)c1cccc(C#N)c1Cl ZINC001598110276 990503085 /nfs/dbraw/zinc/50/30/85/990503085.db2.gz REKSYCRXVWPYQA-GFCCVEGCSA-N -1 0 372.830 1.854 20 30 FDEDRM COc1cccc([C@H](NCC(=O)NCc2cccc(C#N)c2)C(=O)[O-])c1 ZINC001599686120 990990533 /nfs/dbraw/zinc/99/05/33/990990533.db2.gz DGOAUKLEVFAKFQ-SFHVURJKSA-N -1 0 353.378 1.599 20 30 FDEDRM COc1ccccc1-n1nccc1[C@H]1NC(=S)NC(C(=O)[O-])=C1C(C)=O ZINC001599696110 991151682 /nfs/dbraw/zinc/15/16/82/991151682.db2.gz QDHAJINULYBTOA-CQSZACIVSA-N -1 0 372.406 1.327 20 30 FDEDRM CN(C)c1cc(F)c(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001598306059 991262517 /nfs/dbraw/zinc/26/25/17/991262517.db2.gz QOXIOHSGOMPYEO-UHFFFAOYSA-N -1 0 364.333 1.630 20 30 FDEDRM COc1ccccc1C[C@H](CNC(=O)CC1(C#N)CCOCC1)C(=O)[O-] ZINC001599706888 991306936 /nfs/dbraw/zinc/30/69/36/991306936.db2.gz QUIVSHFHQMBSOT-OAHLLOKOSA-N -1 0 360.410 1.765 20 30 FDEDRM COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C1(C(=O)[O-])CC1 ZINC001599712886 991402024 /nfs/dbraw/zinc/40/20/24/991402024.db2.gz PMOBMOJPOMBZQV-GFCCVEGCSA-N -1 0 360.366 1.738 20 30 FDEDRM CC(C)[C@H](OC(=O)c1cc(O)cc(C#N)c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001591046578 991433897 /nfs/dbraw/zinc/43/38/97/991433897.db2.gz AKUCJWAACLDBJG-INIZCTEOSA-N -1 0 374.393 1.768 20 30 FDEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001591051749 991452734 /nfs/dbraw/zinc/45/27/34/991452734.db2.gz HEZFTBNWOLJTKT-OAHLLOKOSA-N -1 0 357.370 1.068 20 30 FDEDRM CN(CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@@H]1CCC[C@@H]1C#N ZINC001598386544 991608405 /nfs/dbraw/zinc/60/84/05/991608405.db2.gz APVACOSJBGXMFF-FSPWUOQZSA-N -1 0 368.437 1.904 20 30 FDEDRM CN(CC(=O)Nc1ccccc1C(=O)[O-])C[C@@H](O)c1cccc(C#N)c1 ZINC001598400726 991695463 /nfs/dbraw/zinc/69/54/63/991695463.db2.gz PWLPFLHPUYADSP-QGZVFWFLSA-N -1 0 353.378 1.860 20 30 FDEDRM CC(C)Cn1c(Cc2ccc(C#N)cn2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001591512899 992667477 /nfs/dbraw/zinc/66/74/77/992667477.db2.gz AJSKXKQPOHQGCF-SFHVURJKSA-N -1 0 372.404 1.795 20 30 FDEDRM CN(c1nc(CC(=O)[O-])cs1)S(=O)(=O)c1ccc(C#N)cc1F ZINC001598546858 992955981 /nfs/dbraw/zinc/95/59/81/992955981.db2.gz PQABQMRYKBWZLV-UHFFFAOYSA-N -1 0 355.372 1.606 20 30 FDEDRM COc1ccc(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(C)c1C ZINC001599609654 993935448 /nfs/dbraw/zinc/93/54/48/993935448.db2.gz MXJWELOQAVZOGK-UHFFFAOYSA-N -1 0 352.412 1.691 20 30 FDEDRM COc1ccc2ncc(C#N)c(N3CC[C@]4(CC(C(=O)[O-])=NO4)C3)c2c1 ZINC001599635028 994273612 /nfs/dbraw/zinc/27/36/12/994273612.db2.gz MHAFFHQJUYZWPK-SFHVURJKSA-N -1 0 352.350 1.925 20 30 FDEDRM CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)c1ncc(C#N)cc1C ZINC001598647434 994393447 /nfs/dbraw/zinc/39/34/47/994393447.db2.gz YNVSNIFTNMDLMQ-UHFFFAOYSA-N -1 0 368.349 1.337 20 30 FDEDRM COc1cccc([C@@](C)(CC(=O)[O-])NS(=O)(=O)c2ccc(C#N)o2)c1 ZINC001599655258 994568234 /nfs/dbraw/zinc/56/82/34/994568234.db2.gz HMJOKIYMYSKMOR-MRXNPFEDSA-N -1 0 364.379 1.828 20 30 FDEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC1(CC(=O)[O-])CC1 ZINC001593339331 994933297 /nfs/dbraw/zinc/93/32/97/994933297.db2.gz MPQUHBPZPYYCKT-NSHDSACASA-N -1 0 366.395 1.023 20 30 FDEDRM C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593345872 994946730 /nfs/dbraw/zinc/94/67/30/994946730.db2.gz RMPDLPCBFYXEIY-LLVKDONJSA-N -1 0 361.379 1.456 20 30 FDEDRM COC(=O)c1cccc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1C#N ZINC000879763926 995265197 /nfs/dbraw/zinc/26/51/97/995265197.db2.gz OWRDSIIESSDVBN-INIZCTEOSA-N -1 0 369.343 1.988 20 30 FDEDRM COC(=O)C1(C#N)CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC001598715936 995407770 /nfs/dbraw/zinc/40/77/70/995407770.db2.gz CEKAOGZGLGUKGT-UHFFFAOYSA-N -1 0 367.308 1.974 20 30 FDEDRM COC(=O)C1(C#N)CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001598715927 995407808 /nfs/dbraw/zinc/40/78/08/995407808.db2.gz CBEDEPGRZOMOML-HYXAFXHYSA-N -1 0 359.338 1.976 20 30 FDEDRM COC(=O)C1(C#N)CCN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC001598716186 995412050 /nfs/dbraw/zinc/41/20/50/995412050.db2.gz GRUCAVMLGACWRI-ZDUSSCGKSA-N -1 0 373.409 1.168 20 30 FDEDRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1[nH]c2ccccc2c1C#N ZINC001598746973 995604572 /nfs/dbraw/zinc/60/45/72/995604572.db2.gz VEXYUPQUQLSFQN-QMTHXVAHSA-N -1 0 355.350 1.518 20 30 FDEDRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC001598760543 995771903 /nfs/dbraw/zinc/77/19/03/995771903.db2.gz YFMUSJVEHKCBKI-KGLIPLIRSA-N -1 0 370.365 1.446 20 30 FDEDRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H](C#N)CCc1ccccc1 ZINC001598761427 995781042 /nfs/dbraw/zinc/78/10/42/995781042.db2.gz CWFKUJKVYCGSNU-JYJNAYRXSA-N -1 0 358.394 1.624 20 30 FDEDRM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H](C#N)CCc1ccccc1 ZINC001598761435 995781149 /nfs/dbraw/zinc/78/11/49/995781149.db2.gz CWFKUJKVYCGSNU-PMPSAXMXSA-N -1 0 358.394 1.624 20 30 FDEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001593610743 995804443 /nfs/dbraw/zinc/80/44/43/995804443.db2.gz INIWKSRZEGMNKR-XIVGLXKZSA-N -1 0 358.394 1.947 20 30 FDEDRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC001598772527 995897219 /nfs/dbraw/zinc/89/72/19/995897219.db2.gz LWQFLOUQZAVHSK-QXSJWSMHSA-N -1 0 356.378 1.527 20 30 FDEDRM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC001598785801 996027906 /nfs/dbraw/zinc/02/79/06/996027906.db2.gz UDHFOMJMVNZKIT-KGLIPLIRSA-N -1 0 370.365 1.446 20 30 FDEDRM COC(=O)[C@@H]1CN(C(=O)Nc2cc(OC)c(C#N)cc2F)C[C@H]1C(=O)[O-] ZINC001598813573 996250735 /nfs/dbraw/zinc/25/07/35/996250735.db2.gz GYNMZRCIULSCQM-NXEZZACHSA-N -1 0 365.317 1.043 20 30 FDEDRM 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OLJIOLPHVLGZEL-ZDUSSCGKSA-N -1 0 363.805 1.919 20 30 FDEDRM C=CCCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-] ZINC001588798368 984235274 /nfs/dbraw/zinc/23/52/74/984235274.db2.gz CBRNGUXNPHZNAM-NSHDSACASA-N -1 0 353.356 1.554 20 30 FDEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-] ZINC001588798477 984235839 /nfs/dbraw/zinc/23/58/39/984235839.db2.gz GUAXZUKWZCLLQD-GFCCVEGCSA-N -1 0 359.375 1.700 20 30 FDEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)C(=O)OC ZINC001588798947 984239711 /nfs/dbraw/zinc/23/97/11/984239711.db2.gz VUVNCHDGZLPCOZ-ZDUSSCGKSA-N -1 0 359.375 1.700 20 30 FDEDRM C=CCCCN(CC)C(=O)C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588801236 984244253 /nfs/dbraw/zinc/24/42/53/984244253.db2.gz BKTXRVFGMFXKJZ-GFCCVEGCSA-N -1 0 365.455 1.972 20 30 FDEDRM C=CCCc1ccc(S(=O)(=O)N[C@H](CCC2OCCO2)C(=O)[O-])cc1 ZINC001588814844 984273280 /nfs/dbraw/zinc/27/32/80/984273280.db2.gz UKZCCEIIBWYJGL-OAHLLOKOSA-N -1 0 369.439 1.690 20 30 FDEDRM C=CCN(C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1)C1CC1 ZINC001588820042 984281772 /nfs/dbraw/zinc/28/17/72/984281772.db2.gz NYMBIELLPNEOII-UHFFFAOYSA-N -1 0 368.393 1.994 20 30 FDEDRM C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2(CC(=O)[O-])CC2)cc1 ZINC001588822323 984288808 /nfs/dbraw/zinc/28/88/08/984288808.db2.gz GTTJQCYOAVYYSX-UHFFFAOYSA-N -1 0 367.427 1.622 20 30 FDEDRM C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001588824106 984296282 /nfs/dbraw/zinc/29/62/82/984296282.db2.gz SLTCQRVKZIADBY-GOSISDBHSA-N -1 0 352.431 1.283 20 30 FDEDRM C=CCN(Cc1ccccc1O[C@H](C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001588831573 984314572 /nfs/dbraw/zinc/31/45/72/984314572.db2.gz BFYZTSPBPPVBHK-HIFRSBDPSA-N -1 0 353.440 1.714 20 30 FDEDRM C=CCN1C(=O)N(CCn2cc(C(=O)[O-])nn2)C(=O)[C@@H]1Cc1ccccc1 ZINC001588832089 984318826 /nfs/dbraw/zinc/31/88/26/984318826.db2.gz ADFMELUQRSFAFP-HNNXBMFYSA-N -1 0 369.381 1.038 20 30 FDEDRM C=CCN1C(=O)c2ccc(C(=O)N[C@](C)(CC(=O)[O-])C3CC3)cc2C1=O ZINC001588836743 984329484 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C=CCOC[C@H](NC(=O)CCOc1ccccc1Br)C(=O)[O-] ZINC001588853741 984385685 /nfs/dbraw/zinc/38/56/85/984385685.db2.gz GXSGEXCPNLMVSC-LBPRGKRZSA-N -1 0 372.215 1.990 20 30 FDEDRM C=CCOC[C@@H](NC(=O)CNC(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001588853734 984385773 /nfs/dbraw/zinc/38/57/73/984385773.db2.gz GUHZTFJPECDECY-GFCCVEGCSA-N -1 0 374.315 1.207 20 30 FDEDRM C=CCOC[C@H](NC(=O)CC[C@@H]1[C@@H](C)Nc2ccnn2[C@@H]1C)C(=O)[O-] ZINC001588853811 984386318 /nfs/dbraw/zinc/38/63/18/984386318.db2.gz IUMXHWQSHSPZME-SYQHCUMBSA-N -1 0 350.419 1.427 20 30 FDEDRM C=CCOC[C@@H](NC(=O)CN[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC001588853833 984386669 /nfs/dbraw/zinc/38/66/69/984386669.db2.gz JKZTULVECMHHQP-TZMCWYRMSA-N -1 0 360.332 1.652 20 30 FDEDRM C=CCOC[C@H](NC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)C(=O)[O-] ZINC001588856126 984397074 /nfs/dbraw/zinc/39/70/74/984397074.db2.gz VIZHCGLLDUUFQE-WMLDXEAASA-N -1 0 366.801 1.995 20 30 FDEDRM C=CCOC[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C(=O)[O-] ZINC001588856954 984402422 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FDEDRM C=CCOC[C@@H](NS(=O)(=O)c1cccc2c(Cl)ccnc21)C(=O)[O-] ZINC001588866240 984423545 /nfs/dbraw/zinc/42/35/45/984423545.db2.gz KIQVLGZXHKTSOW-GFCCVEGCSA-N -1 0 370.814 1.822 20 30 FDEDRM C=CCOC[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001588867239 984431447 /nfs/dbraw/zinc/43/14/47/984431447.db2.gz XJWTVSKOZUNILQ-VIFPVBQESA-N -1 0 364.763 1.182 20 30 FDEDRM C=CCOCc1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1C[C@@H]1CCCCO1 ZINC001588868440 984432746 /nfs/dbraw/zinc/43/27/46/984432746.db2.gz FHQQOEBKDGBPDG-KBXCAEBGSA-N -1 0 364.446 1.851 20 30 FDEDRM C=CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC001588868964 984436986 /nfs/dbraw/zinc/43/69/86/984436986.db2.gz IPCBBDURROOSAX-UHFFFAOYSA-N -1 0 363.413 1.104 20 30 FDEDRM CCOC(=O)C1=C(C(=O)CC)[C@H](c2cc(C(=O)[O-])cs2)NC(=S)N1 ZINC001596562689 984440616 /nfs/dbraw/zinc/44/06/16/984440616.db2.gz ASHUAKUIMBWHMZ-NSHDSACASA-N -1 0 368.436 1.761 20 30 FDEDRM C=CCOc1ccc(CC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC001588873717 984445317 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0 373.413 1.985 20 30 FDEDRM C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588895349 984492665 /nfs/dbraw/zinc/49/26/65/984492665.db2.gz DBDXWIJUIIOAGA-SFHVURJKSA-N -1 0 370.413 1.803 20 30 FDEDRM C=CCn1c([C@H](O)CCSC)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588895460 984493316 /nfs/dbraw/zinc/49/33/16/984493316.db2.gz GOCXHIKAMKHTMQ-MLGOLLRUSA-N -1 0 354.476 1.942 20 30 FDEDRM C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588895936 984497446 /nfs/dbraw/zinc/49/74/46/984497446.db2.gz CIHRETRCTCCIDT-VBHSOAQHSA-N -1 0 359.430 1.101 20 30 FDEDRM C=CCn1c([C@H]2CCCCN2C)nnc1N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001588895954 984497974 /nfs/dbraw/zinc/49/79/74/984497974.db2.gz CQESDLVQMCSLSS-KDOFPFPSSA-N -1 0 374.445 1.431 20 30 FDEDRM C=CCn1c([C@@H](O)/C=C/CC)nnc1N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001588896066 984498631 /nfs/dbraw/zinc/49/86/31/984498631.db2.gz PSSPPROZJNDNKL-HPWGFTELSA-N -1 0 362.430 1.391 20 30 FDEDRM 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