smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)N[C@H]1CCN([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000116890069 530115803 /nfs/dbraw/zinc/11/58/03/530115803.db2.gz JGDRVVDXHOGEGQ-RYUDHWBXSA-N 0 0 376.276 0.599 10 0 GCAERN CNS(=O)(=O)NCC(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000408456949 530117684 /nfs/dbraw/zinc/11/76/84/530117684.db2.gz MLHKTFPQQWWPKN-UHFFFAOYSA-N 0 0 380.239 0.527 10 0 GCAERN O=C(NCCCOCC1CCOCC1)NCCCN1CCCS1(=O)=O ZINC000607180687 530123004 /nfs/dbraw/zinc/12/30/04/530123004.db2.gz SBADBLBWNYOQLK-UHFFFAOYSA-N 0 0 377.507 0.545 10 0 GCAERN COCCN1C(=O)N[C@@H]2CN(c3cc(Br)cnc3C(N)=O)CC[C@@H]21 ZINC000571628161 530132133 /nfs/dbraw/zinc/13/21/33/530132133.db2.gz GCUPYKNFYGIPJP-MNOVXSKESA-N 0 0 398.261 0.562 10 0 GCAERN CCOC(=O)c1cccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000608781517 530141919 /nfs/dbraw/zinc/14/19/19/530141919.db2.gz IWLKZBSQWNUECG-UHFFFAOYSA-N 0 0 390.483 0.567 10 0 GCAERN Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCc1cn(C)nn1 ZINC000672491060 530150529 /nfs/dbraw/zinc/15/05/29/530150529.db2.gz POODFYRJXCNSER-UHFFFAOYSA-N 0 0 386.865 0.555 10 0 GCAERN O=C(NCCc1ccc(Br)cc1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000557319534 530194761 /nfs/dbraw/zinc/19/47/61/530194761.db2.gz ATMHUCKIMAXXJH-HNNXBMFYSA-N 0 0 396.285 0.651 10 0 GCAERN COC(=O)c1ccsc1N1CC[C@@H](N2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000266770327 530204527 /nfs/dbraw/zinc/20/45/27/530204527.db2.gz VPBHOYOBDXZOAL-ZYHUDNBSSA-N 0 0 387.483 0.264 10 0 GCAERN C[C@@H](NS(=O)(=O)c1cccc(Br)c1)C(=O)N1CCOCC1 ZINC000068838565 530169310 /nfs/dbraw/zinc/16/93/10/530169310.db2.gz XSLFFRYZSWEYLS-SNVBAGLBSA-N 0 0 377.260 0.975 10 0 GCAERN CS(=O)(=O)N[C@H]1CCN(Cc2ncc(I)s2)C1 ZINC000290156540 530170051 /nfs/dbraw/zinc/17/00/51/530170051.db2.gz XBXHFDAOIFKYBG-ZETCQYMHSA-N 0 0 387.268 0.871 10 0 GCAERN O=C(NCc1cc(Br)cs1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000556329913 530173521 /nfs/dbraw/zinc/17/35/21/530173521.db2.gz DAXXHZAUAHOMHB-LLVKDONJSA-N 0 0 388.287 0.670 10 0 GCAERN COC[C@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000536246976 530179490 /nfs/dbraw/zinc/17/94/90/530179490.db2.gz CUSDCMXXDXVJIT-ZDUSSCGKSA-N 0 0 392.499 0.147 10 0 GCAERN O=C(CN1CCO[C@H](c2cccs2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000268520699 530228743 /nfs/dbraw/zinc/22/87/43/530228743.db2.gz WKWIXNLFKPKMDK-NEPJUHHUSA-N 0 0 387.483 0.134 10 0 GCAERN COCCN1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1=O ZINC000091832833 530235249 /nfs/dbraw/zinc/23/52/49/530235249.db2.gz NACDJWKZGPICLO-CQSZACIVSA-N 0 0 387.274 0.979 10 0 GCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC000333587392 530240103 /nfs/dbraw/zinc/24/01/03/530240103.db2.gz AYSDZSBVBPRMNN-IGQOVBAYSA-N 0 0 390.527 0.349 10 0 GCAERN C[C@@H]1CN(C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000600782100 530242706 /nfs/dbraw/zinc/24/27/06/530242706.db2.gz BGQLEFFVAJXBPB-CQSZACIVSA-N 0 0 387.527 0.796 10 0 GCAERN COCCN(C(=O)[C@H]1CC1(Cl)Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000097674775 530244942 /nfs/dbraw/zinc/24/49/42/530244942.db2.gz HNLLODGFFKQITR-SECBINFHSA-N 0 0 393.271 0.948 10 0 GCAERN CS(=O)(=O)NCC1CCN(C(=O)c2cn(Cc3cccs3)nn2)CC1 ZINC000569612541 530245301 /nfs/dbraw/zinc/24/53/01/530245301.db2.gz CKXKVGIGVUKOQT-UHFFFAOYSA-N 0 0 383.499 0.789 10 0 GCAERN Cc1ccc([C@@H]2CN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CCO2)o1 ZINC000151827709 530249900 /nfs/dbraw/zinc/24/99/00/530249900.db2.gz FFYAAHVVZMMCPT-LBPRGKRZSA-N 0 0 398.213 0.801 10 0 GCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000066936719 530207840 /nfs/dbraw/zinc/20/78/40/530207840.db2.gz BHWUFXOMSRXMFH-UHFFFAOYSA-N 0 0 385.877 0.756 10 0 GCAERN O=C(Nc1cc(Br)cnc1-n1cccn1)C(=O)N1CCC[C@@H]1CO ZINC000121206918 530270972 /nfs/dbraw/zinc/27/09/72/530270972.db2.gz OVBHPHBOYVNLDJ-LLVKDONJSA-N 0 0 394.229 0.952 10 0 GCAERN CS(=O)(=O)N[C@H]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000121266128 530271042 /nfs/dbraw/zinc/27/10/42/530271042.db2.gz 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ZINC000125560102 530277677 /nfs/dbraw/zinc/27/76/77/530277677.db2.gz BBWIVDOFXGCRTE-GFCCVEGCSA-N 0 0 397.273 0.783 10 0 GCAERN Cn1cc(Br)cc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)c1=O ZINC000125560370 530277696 /nfs/dbraw/zinc/27/76/96/530277696.db2.gz BBWIVDOFXGCRTE-LBPRGKRZSA-N 0 0 397.273 0.783 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCC[C@@H](C)[S@](C)=O)c1 ZINC000427661095 530282414 /nfs/dbraw/zinc/28/24/14/530282414.db2.gz XEPXZWLVFHQOIO-YYUOZPCZSA-N 0 0 388.511 0.831 10 0 GCAERN CC(=O)N1CCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)[C@@H](C)C1 ZINC000561889963 530284806 /nfs/dbraw/zinc/28/48/06/530284806.db2.gz KCQWYDYQGKJMKL-ONGXEEELSA-N 0 0 388.412 0.071 10 0 GCAERN CC(C)(C)[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C[C@@H]1O ZINC000273325295 530287662 /nfs/dbraw/zinc/28/76/62/530287662.db2.gz PYSVLIIHOPDSHM-OCCSQVGLSA-N 0 0 390.527 0.971 10 0 GCAERN O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1cc2c(cc1Cl)OCCO2 ZINC000329577738 530289836 /nfs/dbraw/zinc/28/98/36/530289836.db2.gz SVVGSMUMFHNHFY-SECBINFHSA-N 0 0 381.859 0.967 10 0 GCAERN CCN(CCc1nccs1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000131941104 530289997 /nfs/dbraw/zinc/28/99/97/530289997.db2.gz ZYUDHFBKNXSLPE-UHFFFAOYSA-N 0 0 387.259 0.847 10 0 GCAERN COc1ccc(Cl)cc1CS(=O)(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000562429621 530292799 /nfs/dbraw/zinc/29/27/99/530292799.db2.gz VDPNRFCTHMYKQZ-OAHLLOKOSA-N 0 0 387.845 0.852 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCS(=O)(=O)C[C@H]2C)cc1C ZINC000564395608 530253510 /nfs/dbraw/zinc/25/35/10/530253510.db2.gz FVOTZYOAULCGLE-CQSZACIVSA-N 0 0 388.511 0.569 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCS(=O)(=O)C[C@@H]2C)cc1C ZINC000564395607 530253574 /nfs/dbraw/zinc/25/35/74/530253574.db2.gz FVOTZYOAULCGLE-AWEZNQCLSA-N 0 0 388.511 0.569 10 0 GCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000133949708 530293187 /nfs/dbraw/zinc/29/31/87/530293187.db2.gz UIIJCNSHOPBSQQ-JQWIXIFHSA-N 0 0 381.230 0.742 10 0 GCAERN O=C(CNC(=O)c1ccc(Br)o1)N1CCO[C@@H](Cn2cccn2)C1 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GCAERN NS(=O)(=O)c1cnn(CC(=O)N2CCc3cccc(Br)c3C2)c1 ZINC000118529636 530267227 /nfs/dbraw/zinc/26/72/27/530267227.db2.gz AJAJILQLSOAFBL-UHFFFAOYSA-N 0 0 399.270 0.878 10 0 GCAERN Cc1cc(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)s1 ZINC000120417766 530269578 /nfs/dbraw/zinc/26/95/78/530269578.db2.gz DAKYNFIWZAVPTK-CYBMUJFWSA-N 0 0 378.541 0.858 10 0 GCAERN C[C@@H](NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1Br ZINC000120538172 530269643 /nfs/dbraw/zinc/26/96/43/530269643.db2.gz VBPHLSGJKLBSLO-SECBINFHSA-N 0 0 395.257 0.962 10 0 GCAERN CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)OC)cc2C)C1 ZINC000363536942 530298934 /nfs/dbraw/zinc/29/89/34/530298934.db2.gz SVCJOBKRKIJFCC-CYBMUJFWSA-N 0 0 390.483 0.484 10 0 GCAERN CCS(=O)(=O)NCCNC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 ZINC000588971864 530300895 /nfs/dbraw/zinc/30/08/95/530300895.db2.gz UGUAMGILTOQNLU-UHFFFAOYSA-N 0 0 388.412 0.168 10 0 GCAERN O=C1NC(=O)[C@@]2(CCC[C@@H]2CNS(=O)(=O)c2ccc3ncsc3c2)N1 ZINC000274846998 530300972 /nfs/dbraw/zinc/30/09/72/530300972.db2.gz GORGWSKRHFEBHH-PSLIRLAXSA-N 0 0 380.451 0.953 10 0 GCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000585687900 530304583 /nfs/dbraw/zinc/30/45/83/530304583.db2.gz MXONWBVUHWLHOB-SNVBAGLBSA-N 0 0 389.524 0.841 10 0 GCAERN Cc1ccc(C(=O)NCCCN2CCCS2(=O)=O)cc1NS(C)(=O)=O ZINC000585735273 530304781 /nfs/dbraw/zinc/30/47/81/530304781.db2.gz SYODJWBYHPHEPD-UHFFFAOYSA-N 0 0 389.499 0.522 10 0 GCAERN O=C(CSc1nnnn1C1CCCC1)NCCCN1CCCS1(=O)=O ZINC000585735110 530304801 /nfs/dbraw/zinc/30/48/01/530304801.db2.gz PXPFYFUAGIHBFT-UHFFFAOYSA-N 0 0 388.519 0.422 10 0 GCAERN CC(C)[C@H](C(=O)NCCCN1CCCS1(=O)=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000585733425 530304813 /nfs/dbraw/zinc/30/48/13/530304813.db2.gz LLWZHJHVWIMRCM-OWCLPIDISA-N 0 0 375.535 0.662 10 0 GCAERN CC(C)[C@@H](C(=O)NCCCN1CCCS1(=O)=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000585733426 530304968 /nfs/dbraw/zinc/30/49/68/530304968.db2.gz LLWZHJHVWIMRCM-XHSDSOJGSA-N 0 0 375.535 0.662 10 0 GCAERN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCN1CCCS1(=O)=O ZINC000586766462 530307487 /nfs/dbraw/zinc/30/74/87/530307487.db2.gz QKOZALBCYQURAW-AWEZNQCLSA-N 0 0 395.547 0.123 10 0 GCAERN Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCCCN1CCCS1(=O)=O ZINC000586771624 530307805 /nfs/dbraw/zinc/30/78/05/530307805.db2.gz IVKNVISGBSYPEK-UHFFFAOYSA-N 0 0 389.499 0.946 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)NC1CCN(CC(F)(F)F)CC1 ZINC000587119656 530309596 /nfs/dbraw/zinc/30/95/96/530309596.db2.gz YDNXVDULCDPWOJ-UHFFFAOYSA-N 0 0 386.440 0.738 10 0 GCAERN NS(=O)(=O)CCN1CCN(C(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC000151035923 530310764 /nfs/dbraw/zinc/31/07/64/530310764.db2.gz VRZFWYZVTWTGKC-UHFFFAOYSA-N 0 0 375.441 0.720 10 0 GCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(F)c(I)c1 ZINC000153308709 530315706 /nfs/dbraw/zinc/31/57/06/530315706.db2.gz ZJQOOZUITBCVEF-VIFPVBQESA-N 0 0 376.125 0.965 10 0 GCAERN Cc1c(C(=O)N[C@@H]2CCC(=O)NC2=O)nnn1-c1cccc(Br)c1 ZINC000153281469 530315775 /nfs/dbraw/zinc/31/57/75/530315775.db2.gz DYAHHYDJLBQDCR-LLVKDONJSA-N 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/nfs/dbraw/zinc/82/74/12/530827412.db2.gz FCBWODCYMINNTP-NWDGAFQWSA-N 0 0 394.540 0.841 10 0 GCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)C1 ZINC000377697906 530828161 /nfs/dbraw/zinc/82/81/61/530828161.db2.gz IDJGYHZGYTYHDJ-JSGCOSHPSA-N 0 0 385.511 0.432 10 0 GCAERN C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000067717914 530830108 /nfs/dbraw/zinc/83/01/08/530830108.db2.gz DXXXETHYTDBUNN-MTSZKFMLSA-N 0 0 375.535 0.914 10 0 GCAERN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCSC[C@@H]1CCO)C(F)(F)F ZINC000486888297 530809165 /nfs/dbraw/zinc/80/91/65/530809165.db2.gz RDXYWCDBZWZQJY-VHSXEESVSA-N 0 0 393.453 0.318 10 0 GCAERN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCSC[C@H]1CCO)C(F)(F)F ZINC000486888295 530809281 /nfs/dbraw/zinc/80/92/81/530809281.db2.gz RDXYWCDBZWZQJY-NXEZZACHSA-N 0 0 393.453 0.318 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000487104941 530811354 /nfs/dbraw/zinc/81/13/54/530811354.db2.gz CDVLQMIOPICUHY-RKDXNWHRSA-N 0 0 376.456 0.338 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccsc1C(=O)OC ZINC000487337210 530811571 /nfs/dbraw/zinc/81/15/71/530811571.db2.gz NJDPJUQMNVRUAS-BDAKNGLRSA-N 0 0 392.455 0.269 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(F)c1 ZINC000487359697 530812154 /nfs/dbraw/zinc/81/21/54/530812154.db2.gz AZZCFCJJVFQGMP-VHSXEESVSA-N 0 0 376.406 0.569 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccsc1C(=O)OC ZINC000487337213 530812446 /nfs/dbraw/zinc/81/24/46/530812446.db2.gz NJDPJUQMNVRUAS-RKDXNWHRSA-N 0 0 392.455 0.269 10 0 GCAERN CC(=O)c1ccc(NC[C@H]2CCCCN2S(C)(=O)=O)c(S(N)(=O)=O)c1 ZINC000672332191 530814935 /nfs/dbraw/zinc/81/49/35/530814935.db2.gz UWUCFXJJLYKPGC-CYBMUJFWSA-N 0 0 389.499 0.763 10 0 GCAERN O=C(NCCCOCCO)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000376540405 530816089 /nfs/dbraw/zinc/81/60/89/530816089.db2.gz KVOFVRHZAXYUNP-ZDUSSCGKSA-N 0 0 376.500 0.807 10 0 GCAERN CCN(CCCNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)S(C)(=O)=O ZINC000376567464 530816573 /nfs/dbraw/zinc/81/65/73/530816573.db2.gz WJOOKJHLOOTMIV-MRXNPFEDSA-N 0 0 377.507 0.638 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccncc1Br ZINC000488581388 530817545 /nfs/dbraw/zinc/81/75/45/530817545.db2.gz WJJGQWPDJJRBEU-BDAKNGLRSA-N 0 0 387.234 0.844 10 0 GCAERN CCN1CC[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1=O ZINC000670027453 530818320 /nfs/dbraw/zinc/81/83/20/530818320.db2.gz LROWBWRKJDDIKH-ZDUSSCGKSA-N 0 0 385.511 0.812 10 0 GCAERN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000268832535 530818668 /nfs/dbraw/zinc/81/86/68/530818668.db2.gz MPJCKXGIBVUUCS-BLLLJJGKSA-N 0 0 388.511 0.869 10 0 GCAERN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000268832546 530818785 /nfs/dbraw/zinc/81/87/85/530818785.db2.gz MPJCKXGIBVUUCS-WBMJQRKESA-N 0 0 388.511 0.869 10 0 GCAERN CS(=O)(=O)NCC1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000672143385 530848010 /nfs/dbraw/zinc/84/80/10/530848010.db2.gz ZUGVMZLRDKQUTJ-UHFFFAOYSA-N 0 0 393.307 0.824 10 0 GCAERN CCc1nnc([C@@H]2CN(C(=O)Cn3cc(Br)ccc3=O)CCO2)[nH]1 ZINC000173095930 530848057 /nfs/dbraw/zinc/84/80/57/530848057.db2.gz UKPXXQRGBNOTER-NSHDSACASA-N 0 0 396.245 0.891 10 0 GCAERN CNS(=O)(=O)CC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000175192200 530849462 /nfs/dbraw/zinc/84/94/62/530849462.db2.gz JYKJCHMQBSGLLL-UHFFFAOYSA-N 0 0 377.264 0.042 10 0 GCAERN CCS(=O)(=O)NCC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000178922910 530852047 /nfs/dbraw/zinc/85/20/47/530852047.db2.gz DGULJPSRQUWHDJ-UHFFFAOYSA-N 0 0 391.291 0.432 10 0 GCAERN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)ccc1Br ZINC000178963271 530852168 /nfs/dbraw/zinc/85/21/68/530852168.db2.gz PDSPUWWFPZJSSK-CYBMUJFWSA-N 0 0 381.274 0.812 10 0 GCAERN COc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000178965443 530852212 /nfs/dbraw/zinc/85/22/12/530852212.db2.gz DTDOKTWSMIQUIN-NSHDSACASA-N 0 0 397.273 0.512 10 0 GCAERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178968514 530852420 /nfs/dbraw/zinc/85/24/20/530852420.db2.gz 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ZINC000184731135 530854885 /nfs/dbraw/zinc/85/48/85/530854885.db2.gz PHUWUIIVADEUMX-SECBINFHSA-N 0 0 378.380 0.893 10 0 GCAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C/C=C\CN1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000255202414 530855136 /nfs/dbraw/zinc/85/51/36/530855136.db2.gz JNNDGNYTHFKQOF-GKEZSVGLSA-N 0 0 378.560 0.557 10 0 GCAERN CC(=O)N1CCc2sc(S(=O)(=O)NCCCN3CCCC3=O)cc2C1 ZINC000656867234 530855786 /nfs/dbraw/zinc/85/57/86/530855786.db2.gz HZRJLZKROXQIGV-UHFFFAOYSA-N 0 0 385.511 0.944 10 0 GCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)C1 ZINC000364571938 530856830 /nfs/dbraw/zinc/85/68/30/530856830.db2.gz AMDMMGMCFARQTH-CHWSQXEVSA-N 0 0 375.516 0.228 10 0 GCAERN CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@H](C(N)=O)CC[C@H]3C)cc2C1 ZINC000656878961 530857059 /nfs/dbraw/zinc/85/70/59/530857059.db2.gz FZVMGDSASBPUGL-ZYHUDNBSSA-N 0 0 385.511 0.927 10 0 GCAERN CN(CCCNC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O)S(C)(=O)=O ZINC000670108642 530864035 /nfs/dbraw/zinc/86/40/35/530864035.db2.gz 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/nfs/dbraw/zinc/87/04/17/530870417.db2.gz ALURJUDCJBNSCW-UHFFFAOYSA-N 0 0 390.483 0.486 10 0 GCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000378533136 530838775 /nfs/dbraw/zinc/83/87/75/530838775.db2.gz NAMXDQPLTQVUHK-GFCCVEGCSA-N 0 0 386.495 0.270 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000461974540 530840972 /nfs/dbraw/zinc/84/09/72/530840972.db2.gz ZMOUAVKDZHPNCO-CYBMUJFWSA-N 0 0 375.472 0.636 10 0 GCAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCN(Cc3cscn3)CC2)C1 ZINC000171021132 530842842 /nfs/dbraw/zinc/84/28/42/530842842.db2.gz OIAJWYFTVIAPFM-CQSZACIVSA-N 0 0 386.543 0.849 10 0 GCAERN CC(C)(C)[C@H]1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C[C@@H]1O ZINC000272271360 530898466 /nfs/dbraw/zinc/89/84/66/530898466.db2.gz SAIOTODGDJUPJN-ONGXEEELSA-N 0 0 388.262 0.967 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)Cn3cc(Br)ccc3=O)CC2)[nH]1 ZINC000118682568 530904694 /nfs/dbraw/zinc/90/46/94/530904694.db2.gz NRRGOOBSABOUNJ-UHFFFAOYSA-N 0 0 395.261 0.382 10 0 GCAERN 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GCAERN Cc1csc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)n1 ZINC000473344904 1192870937 /nfs/dbraw/zinc/87/09/37/1192870937.db2.gz ZIBVTUBWPDQLQX-UHFFFAOYSA-N 0 0 379.486 0.451 10 0 GCAERN CN(C)C(=O)C1CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000408419893 1192873207 /nfs/dbraw/zinc/87/32/07/1192873207.db2.gz PMVPERHKPNBJHB-DLBZAZTESA-N 0 0 377.485 0.754 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)Cn3nc4ccccn4c3=O)c2)n1 ZINC000473363531 1192876446 /nfs/dbraw/zinc/87/64/46/1192876446.db2.gz FFSCKXLASXMMJY-UHFFFAOYSA-N 0 0 378.396 0.781 10 0 GCAERN CCNC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)NCC)C2)c1 ZINC000473367909 1192878598 /nfs/dbraw/zinc/87/85/98/1192878598.db2.gz KAGYNPKJWSFORQ-CQSZACIVSA-N 0 0 390.444 0.687 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000549791069 1192883675 /nfs/dbraw/zinc/88/36/75/1192883675.db2.gz AICZTFOWVSNUET-UHFFFAOYSA-N 0 0 398.467 0.597 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)N(CCO)[C@H]1CCc2ccccc21 ZINC000549800324 1192885633 /nfs/dbraw/zinc/88/56/33/1192885633.db2.gz JHKKRTHAWWRULV-INIZCTEOSA-N 0 0 379.420 0.854 10 0 GCAERN C[C@H](NC(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000051956386 1192893016 /nfs/dbraw/zinc/89/30/16/1192893016.db2.gz IRILPCUDIXFWJJ-HNNXBMFYSA-N 0 0 390.459 0.770 10 0 GCAERN O=C(NCc1ccncc1)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332795454 1192902476 /nfs/dbraw/zinc/90/24/76/1192902476.db2.gz HPOVCNJLRLXOPG-ARFHVFGLSA-N 0 0 379.482 0.808 10 0 GCAERN O=C(NCCc1ccccn1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332800496 1192903105 /nfs/dbraw/zinc/90/31/05/1192903105.db2.gz SQSCGOOVKBDEIZ-BRWVUGGUSA-N 0 0 393.509 0.850 10 0 GCAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCN2CCOCC2)CC1 ZINC000332777104 1192903453 /nfs/dbraw/zinc/90/34/53/1192903453.db2.gz IIFCILVNMWBZRH-INIZCTEOSA-N 0 0 381.521 0.093 10 0 GCAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCC(=O)N2CCCCC2)CC1 ZINC000332779654 1192903819 /nfs/dbraw/zinc/90/38/19/1192903819.db2.gz QMJXWTJDSLVRPN-INIZCTEOSA-N 0 0 393.532 0.773 10 0 GCAERN CN(CCn1cccn1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332829969 1192906368 /nfs/dbraw/zinc/90/63/68/1192906368.db2.gz PZTJVCUAQXUAJO-BZUAXINKSA-N 0 0 396.513 0.451 10 0 GCAERN C[C@]1(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC000332835187 1192906789 /nfs/dbraw/zinc/90/67/89/1192906789.db2.gz HXYUPVYSVFOHFN-ATNYBXOESA-N 0 0 386.514 0.639 10 0 GCAERN C[C@]1(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC000332835190 1192906847 /nfs/dbraw/zinc/90/68/47/1192906847.db2.gz HXYUPVYSVFOHFN-JTOWHCCKSA-N 0 0 386.514 0.639 10 0 GCAERN COCCN1CCN(C(=O)CN2CCc3cc(OC)c(OC)cc3C2)CC1=O ZINC000509766664 1192908308 /nfs/dbraw/zinc/90/83/08/1192908308.db2.gz LYQUJPGSUVFMDS-UHFFFAOYSA-N 0 0 391.468 0.379 10 0 GCAERN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@@]3(CCOC3)C2)[C@H](C)O)cc1 ZINC000274568080 1184103124 /nfs/dbraw/zinc/10/31/24/1184103124.db2.gz QOCJTBYPBKLOKS-ZVZYQTTQSA-N 0 0 398.481 0.041 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@]3(CCOC3)C2)cc1 ZINC000274575842 1184108727 /nfs/dbraw/zinc/10/87/27/1184108727.db2.gz RKMYQPZBPRVNPO-SFHVURJKSA-N 0 0 396.465 0.576 10 0 GCAERN COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)cc1 ZINC000784905225 1184128447 /nfs/dbraw/zinc/12/84/47/1184128447.db2.gz BGGWEAPVQKWVHO-GFCCVEGCSA-N 0 0 376.413 0.289 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)[C@H](C)C1 ZINC000784907017 1184136254 /nfs/dbraw/zinc/13/62/54/1184136254.db2.gz LWSYANGWLYHHEN-CABCVRRESA-N 0 0 388.468 0.929 10 0 GCAERN C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(N(C)C)cc2)CC1 ZINC000683142408 1184165511 /nfs/dbraw/zinc/16/55/11/1184165511.db2.gz ROCSGTCDNUUMRE-CQSZACIVSA-N 0 0 380.514 0.726 10 0 GCAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000067278533 1184186464 /nfs/dbraw/zinc/18/64/64/1184186464.db2.gz UKYJGWYKLSXBEW-CQSZACIVSA-N 0 0 398.529 0.460 10 0 GCAERN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CCN(c2nncn2C)CC1 ZINC000654906456 1184206065 /nfs/dbraw/zinc/20/60/65/1184206065.db2.gz QPDBDRUJNAQRQX-UHFFFAOYSA-N 0 0 397.439 0.011 10 0 GCAERN COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000547643324 1184215917 /nfs/dbraw/zinc/21/59/17/1184215917.db2.gz WWECHDNVCLORNX-UHFFFAOYSA-N 0 0 397.453 0.275 10 0 GCAERN O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000029383993 1184249698 /nfs/dbraw/zinc/24/96/98/1184249698.db2.gz HHBKPEPUNBOGSO-UHFFFAOYSA-N 0 0 383.470 0.177 10 0 GCAERN Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)c1 ZINC000029386686 1184249772 /nfs/dbraw/zinc/24/97/72/1184249772.db2.gz XYWSERUZDGMAIJ-UHFFFAOYSA-N 0 0 395.525 0.957 10 0 GCAERN Cc1ccc(C)c(OCC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000029383959 1184249856 /nfs/dbraw/zinc/24/98/56/1184249856.db2.gz PPGDKCKZYOIOMQ-UHFFFAOYSA-N 0 0 397.497 0.403 10 0 GCAERN CNC(=O)c1cncc(C=CC(=O)NCc2c(C)nc3cc(=O)[nH]n3c2C)c1 ZINC000254966625 1184338551 /nfs/dbraw/zinc/33/85/51/1184338551.db2.gz PJXAHQDVZYWZIW-PLNGDYQASA-N 0 0 380.408 0.724 10 0 GCAERN O=C(NCCCO[C@@H]1CCOC1)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000579861599 1184383651 /nfs/dbraw/zinc/38/36/51/1184383651.db2.gz ZRKWHHVGGLKBAH-GOSISDBHSA-N 0 0 386.452 0.859 10 0 GCAERN CCc1nc(CN2CCN([C@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)cs1 ZINC000154431937 1184395695 /nfs/dbraw/zinc/39/56/95/1184395695.db2.gz YWZICVXDQNYKHH-CQSZACIVSA-N 0 0 393.557 0.949 10 0 GCAERN CCN(CC)C(=O)c1ccc(CNC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000255005765 1184403209 /nfs/dbraw/zinc/40/32/09/1184403209.db2.gz OOIPZEQAVMQELR-QXMHVHEDSA-N 0 0 398.463 0.896 10 0 GCAERN O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000042010780 1184424974 /nfs/dbraw/zinc/42/49/74/1184424974.db2.gz TVRSMKDZGMJAHX-JKSUJKDBSA-N 0 0 389.452 0.726 10 0 GCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccnn2CCc2ccccc2)CC1 ZINC000154621351 1184427550 /nfs/dbraw/zinc/42/75/50/1184427550.db2.gz RSYNMWFZOHFXRN-GOSISDBHSA-N 0 0 399.495 0.979 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000625112855 1184428576 /nfs/dbraw/zinc/42/85/76/1184428576.db2.gz IGJKSMHFINBUME-UHFFFAOYSA-N 0 0 376.457 0.254 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000547732819 1184442726 /nfs/dbraw/zinc/44/27/26/1184442726.db2.gz YXQLNAYWTACKBO-NRFANRHFSA-N 0 0 399.447 0.639 10 0 GCAERN O=C(CN1CCOCC1=O)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 ZINC000547738021 1184453846 /nfs/dbraw/zinc/45/38/46/1184453846.db2.gz UFOPJOUORNTTJM-AREMUKBSSA-N 0 0 380.466 0.912 10 0 GCAERN CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cc(C)nn1-c1ccccc1C ZINC000535623422 1184459200 /nfs/dbraw/zinc/45/92/00/1184459200.db2.gz YVSAWUNMVXSCBJ-UHFFFAOYSA-N 0 0 393.469 0.483 10 0 GCAERN CC(=O)N1CCN(c2cccc(NC(=O)N3CCN(CCO)[C@H](C)C3)c2)CC1 ZINC000547753684 1184478480 /nfs/dbraw/zinc/47/84/80/1184478480.db2.gz GQSRDMAMVPBJHK-MRXNPFEDSA-N 0 0 389.500 0.885 10 0 GCAERN CCn1nc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)C(C)C)c2ccccc2c1=O ZINC000117597853 1184576452 /nfs/dbraw/zinc/57/64/52/1184576452.db2.gz IRYSGUWLIFEUFC-HNNXBMFYSA-N 0 0 399.451 0.824 10 0 GCAERN C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1 ZINC000328641603 1184578496 /nfs/dbraw/zinc/57/84/96/1184578496.db2.gz FQVSHZPVKTWMEU-KBPBESRZSA-N 0 0 379.461 0.027 10 0 GCAERN COc1ccccc1CCNC(=O)CN1CCC(CNS(C)(=O)=O)CC1 ZINC000510187087 1184599964 /nfs/dbraw/zinc/59/99/64/1184599964.db2.gz WOWXWZMIEHXGRG-UHFFFAOYSA-N 0 0 383.514 0.615 10 0 GCAERN C[C@@H](NC(=O)[C@H](C)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000023251954 1184606868 /nfs/dbraw/zinc/60/68/68/1184606868.db2.gz FLZCYSZBOXFIKA-MSOLQXFVSA-N 0 0 388.512 0.729 10 0 GCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000155329568 1184617693 /nfs/dbraw/zinc/61/76/93/1184617693.db2.gz MSCRJPBXQUPXIR-SNVBAGLBSA-N 0 0 375.395 0.996 10 0 GCAERN CN(Cc1ccc(Cl)cc1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000024665522 1184623762 /nfs/dbraw/zinc/62/37/62/1184623762.db2.gz YEOPAODCKQDKTQ-UHFFFAOYSA-N 0 0 375.816 0.746 10 0 GCAERN CNS(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1 ZINC000683425658 1184688313 /nfs/dbraw/zinc/68/83/13/1184688313.db2.gz PEPWFDVQDMNBDT-UHFFFAOYSA-N 0 0 377.426 0.633 10 0 GCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275544499 1184705316 /nfs/dbraw/zinc/70/53/16/1184705316.db2.gz DTCVESPPWRVROC-KFWWJZLASA-N 0 0 379.461 0.242 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1 ZINC000610270013 1184714459 /nfs/dbraw/zinc/71/44/59/1184714459.db2.gz ZPNMPYFNIIXEMY-XHDPSFHLSA-N 0 0 392.437 0.679 10 0 GCAERN Cn1nccc1CCC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000121036940 1184718259 /nfs/dbraw/zinc/71/82/59/1184718259.db2.gz QPPDQQWWHIUWOY-UHFFFAOYSA-N 0 0 391.497 0.928 10 0 GCAERN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCCc2nnc3ccccn32)C1 ZINC000530717284 1184725114 /nfs/dbraw/zinc/72/51/14/1184725114.db2.gz KHUOEDNAWYAFER-CQSZACIVSA-N 0 0 395.485 0.771 10 0 GCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C2)c1=O ZINC000275576957 1184727695 /nfs/dbraw/zinc/72/76/95/1184727695.db2.gz HAOWRMPLVTYXMO-HZPDHXFCSA-N 0 0 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ZINC000550240870 1195467753 /nfs/dbraw/zinc/46/77/53/1195467753.db2.gz SXQQRSRLALPINT-ZDUSSCGKSA-N 0 0 387.358 0.744 10 0 GCAERN Cc1cc(N2CCC[C@H](N3CCN(C(=O)COC(C)C)CC3)C2=O)n(C)n1 ZINC000506857998 1195471521 /nfs/dbraw/zinc/47/15/21/1195471521.db2.gz NCYVIUNSXZKTLX-INIZCTEOSA-N 0 0 377.489 0.793 10 0 GCAERN O=C(NCc1ccnc(N2CCCCC2)c1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000550279328 1195490813 /nfs/dbraw/zinc/49/08/13/1195490813.db2.gz HQBZRTFVRXDBLH-OAQYLSRUSA-N 0 0 399.495 0.817 10 0 GCAERN CC(=O)N1CCC(NC(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn32)CC1 ZINC000507153672 1195499904 /nfs/dbraw/zinc/49/99/04/1195499904.db2.gz DKCAOLYWDHSROC-UHFFFAOYSA-N 0 0 396.407 0.829 10 0 GCAERN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4c[nH]nc4C)CC3)C2=O)n(C)n1 ZINC000507588410 1195537155 /nfs/dbraw/zinc/53/71/55/1195537155.db2.gz MMSNKZMMKYIKAJ-MRXNPFEDSA-N 0 0 385.472 0.713 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000487383455 1195545361 /nfs/dbraw/zinc/54/53/61/1195545361.db2.gz 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CS(=O)(=O)NCc1ccc(C(=O)NCCCc2nnc3ccccn32)o1 ZINC000440575697 1195565428 /nfs/dbraw/zinc/56/54/28/1195565428.db2.gz GOUFAXYRNUCDJJ-UHFFFAOYSA-N 0 0 377.426 0.734 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)[C@H](C)C1 ZINC000440587139 1195567086 /nfs/dbraw/zinc/56/70/86/1195567086.db2.gz YKHJAHITYQXQOQ-CYBMUJFWSA-N 0 0 395.481 0.291 10 0 GCAERN Cc1c(NC(=O)N(C)Cc2nnnn2C)nnn1CCOc1ccc(F)cc1 ZINC000519747719 1195568027 /nfs/dbraw/zinc/56/80/27/1195568027.db2.gz IHBHGKVQRWGTLJ-UHFFFAOYSA-N 0 0 389.395 0.992 10 0 GCAERN CCN(C(=O)COCCOC)c1ccnc(CN2CCN(C(C)=O)CC2)c1 ZINC000440711485 1195578379 /nfs/dbraw/zinc/57/83/79/1195578379.db2.gz BQHQAKLMVFFGKS-UHFFFAOYSA-N 0 0 378.473 0.762 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cnc(C(C)(C)C)nc3)CC2)[nH]1 ZINC000440756347 1195579453 /nfs/dbraw/zinc/57/94/53/1195579453.db2.gz FKCUPOBALADYIF-UHFFFAOYSA-N 0 0 386.460 0.484 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cc(F)c(F)c(F)c3)CC2)[nH]1 ZINC000440748121 1195580237 /nfs/dbraw/zinc/58/02/37/1195580237.db2.gz NGWVEBIYFXXIFL-UHFFFAOYSA-N 0 0 382.346 0.813 10 0 GCAERN CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)cc1 ZINC000440754528 1195580930 /nfs/dbraw/zinc/58/09/30/1195580930.db2.gz LXLITZHWLAKUTO-UHFFFAOYSA-N 0 0 399.455 0.745 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccccc3N3CCCC3)CC2)[nH]1 ZINC000440754506 1195581026 /nfs/dbraw/zinc/58/10/26/1195581026.db2.gz LWQDAYYBQBIZID-UHFFFAOYSA-N 0 0 397.483 0.996 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2)[nH]1 ZINC000440765077 1195581820 /nfs/dbraw/zinc/58/18/20/1195581820.db2.gz VCXNNGNHKZNYIN-UHFFFAOYSA-N 0 0 399.455 0.098 10 0 GCAERN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)c1 ZINC000440760344 1195582051 /nfs/dbraw/zinc/58/20/51/1195582051.db2.gz YVDOIIIZPNAQKY-UHFFFAOYSA-N 0 0 399.455 0.064 10 0 GCAERN COc1cc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)ccc1F ZINC000440762006 1195582175 /nfs/dbraw/zinc/58/21/75/1195582175.db2.gz PCCPRLMBJSMFQU-UHFFFAOYSA-N 0 0 376.392 0.544 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1195613269 /nfs/dbraw/zinc/61/32/69/1195613269.db2.gz VLOALZDVBMAUMN-UHFFFAOYSA-N 0 0 393.451 0.681 10 0 GCAERN COc1ccc2c(c1)ncc(C(=O)NCCS(=O)(=O)NCC1CCC1)c2O ZINC000520292972 1195618056 /nfs/dbraw/zinc/61/80/56/1195618056.db2.gz PTHUQDHNUXNUHW-UHFFFAOYSA-N 0 0 393.465 0.986 10 0 GCAERN CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(C)nn1-c1ccccc1C ZINC000441325964 1195623778 /nfs/dbraw/zinc/62/37/78/1195623778.db2.gz UOCKLESKHGFIIW-IBGZPJMESA-N 0 0 388.424 0.858 10 0 GCAERN Cc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)CC2 ZINC000171458521 1195641486 /nfs/dbraw/zinc/64/14/86/1195641486.db2.gz XZFMIDBQVJYNGI-JQWIXIFHSA-N 0 0 381.433 0.524 10 0 GCAERN O=C(CN1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1)N1CCOCC1 ZINC000280802167 1195685200 /nfs/dbraw/zinc/68/52/00/1195685200.db2.gz VYJODLDMDYGBOR-UHFFFAOYSA-N 0 0 390.440 0.466 10 0 GCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC2 ZINC000665012399 1195713921 /nfs/dbraw/zinc/71/39/21/1195713921.db2.gz LIRIKHWESVBAQH-UHFFFAOYSA-N 0 0 382.486 0.395 10 0 GCAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000190046981 1195756618 /nfs/dbraw/zinc/75/66/18/1195756618.db2.gz KVNHHCKSXOAQAL-AWEZNQCLSA-N 0 0 385.468 0.953 10 0 GCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2F)CCN1CCO ZINC000190047344 1195756634 /nfs/dbraw/zinc/75/66/34/1195756634.db2.gz ZCBSYYNEXYHGPM-AWEZNQCLSA-N 0 0 389.431 0.534 10 0 GCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000441499068 1195768027 /nfs/dbraw/zinc/76/80/27/1195768027.db2.gz LTJPTHAEAYCFNF-BBRMVZONSA-N 0 0 379.482 0.728 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)cn1C ZINC000181012182 1195771266 /nfs/dbraw/zinc/77/12/66/1195771266.db2.gz DTTZDSCVCLHBBB-UHFFFAOYSA-N 0 0 391.497 0.628 10 0 GCAERN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)N[C@H]1CC[S@](=O)C1 ZINC000332938835 1195782452 /nfs/dbraw/zinc/78/24/52/1195782452.db2.gz JFMMQZPLMGJFLK-LEISJVFESA-N 0 0 375.450 0.099 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000441644088 1195807524 /nfs/dbraw/zinc/80/75/24/1195807524.db2.gz KTLNIKLCCXPMBJ-UHFFFAOYSA-N 0 0 399.451 0.907 10 0 GCAERN CCCCn1nccc1NC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000441662447 1195812937 /nfs/dbraw/zinc/81/29/37/1195812937.db2.gz YDISDCABCATOSE-UHFFFAOYSA-N 0 0 379.461 0.718 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000441667080 1195814323 /nfs/dbraw/zinc/81/43/23/1195814323.db2.gz VMWPCDQVCCEHMP-UHFFFAOYSA-N 0 0 393.440 0.738 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cnn(CC(F)F)c2)CC1 ZINC000441673559 1195815546 /nfs/dbraw/zinc/81/55/46/1195815546.db2.gz IJGWMCPGNSETQE-UHFFFAOYSA-N 0 0 387.387 0.183 10 0 GCAERN COC[C@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@H]1CCCO1 ZINC000579548675 1195816479 /nfs/dbraw/zinc/81/64/79/1195816479.db2.gz PPIBQEPAIPYRGT-DLBZAZTESA-N 0 0 377.441 0.772 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000441676781 1195816729 /nfs/dbraw/zinc/81/67/29/1195816729.db2.gz ILCGKECZYLDQBV-UHFFFAOYSA-N 0 0 391.424 0.492 10 0 GCAERN 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1195916472 /nfs/dbraw/zinc/91/64/72/1195916472.db2.gz NJRZHIMILMFQEG-NSHDSACASA-N 0 0 391.453 0.416 10 0 GCAERN CCOc1ccccc1CN1CCN(C(=O)CN2CCOCC2=O)[C@@H](C)C1 ZINC000508330441 1195917669 /nfs/dbraw/zinc/91/76/69/1195917669.db2.gz FRDBQNAUOWUXFE-INIZCTEOSA-N 0 0 375.469 0.977 10 0 GCAERN COc1cccc(CNC(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c1OC ZINC000550451767 1195924792 /nfs/dbraw/zinc/92/47/92/1195924792.db2.gz ZHFZDXABGQFZKZ-LJQANCHMSA-N 0 0 375.425 0.449 10 0 GCAERN COC(=O)C[C@H]1CN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CCO1 ZINC000441887053 1195928245 /nfs/dbraw/zinc/92/82/45/1195928245.db2.gz KOVFKDXYSFZBHX-NSHDSACASA-N 0 0 388.417 0.432 10 0 GCAERN CCO[C@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)C1 ZINC000459195512 1195936676 /nfs/dbraw/zinc/93/66/76/1195936676.db2.gz NXHGAHROMSOGJH-GASCZTMLSA-N 0 0 396.513 0.994 10 0 GCAERN COCCN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)CC(=O)N(C)C ZINC000442003309 1195938096 /nfs/dbraw/zinc/93/80/96/1195938096.db2.gz OEHVKGRLOCNIFK-UHFFFAOYSA-N 0 0 389.449 0.204 10 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O=C(Nc1ccc(OC(F)(F)F)cc1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442266384 1195968131 /nfs/dbraw/zinc/96/81/31/1195968131.db2.gz AXMRQCZWOHHQOE-GFCCVEGCSA-N 0 0 389.330 0.623 10 0 GCAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)n(Cc2ccccc2)n1 ZINC000442272381 1195969556 /nfs/dbraw/zinc/96/95/56/1195969556.db2.gz PVNWIRFFFXWKCJ-INIZCTEOSA-N 0 0 399.451 0.278 10 0 GCAERN O=C(Nc1cc(C(F)(F)F)ccc1F)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442275990 1195970202 /nfs/dbraw/zinc/97/02/02/1195970202.db2.gz UNLVMCLPFGOBRC-NSHDSACASA-N 0 0 391.321 0.883 10 0 GCAERN COc1cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)ccc1OC(C)C ZINC000442277364 1195970260 /nfs/dbraw/zinc/97/02/60/1195970260.db2.gz RQGVVNRXHARXLG-CQSZACIVSA-N 0 0 393.440 0.520 10 0 GCAERN O=C(Nc1cccnc1-c1ccccc1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442277071 1195970314 /nfs/dbraw/zinc/97/03/14/1195970314.db2.gz VNZRWWZHPOESRG-MRXNPFEDSA-N 0 0 382.420 0.787 10 0 GCAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1OCC(F)F ZINC000442280185 1195971033 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CN(C)c1nccc(N2CCN(C(=O)Cn3cc(Br)cn3)CC2)n1 ZINC000606792407 530512720 /nfs/dbraw/zinc/51/27/20/530512720.db2.gz OZIHPXWNXANUNH-UHFFFAOYSA-N 0 0 394.277 0.850 10 0 GCAERN CN(CC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)c1ccc(Cl)cn1 ZINC000606838345 530513376 /nfs/dbraw/zinc/51/33/76/530513376.db2.gz TUJDDWXHGMDFPR-NSHDSACASA-N 0 0 375.882 0.203 10 0 GCAERN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)c1 ZINC000408393128 530515131 /nfs/dbraw/zinc/51/51/31/530515131.db2.gz HDQZLEIYMLKLMU-NSHDSACASA-N 0 0 377.488 0.208 10 0 GCAERN NC(=O)N[C@@H]1CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000534260602 530523261 /nfs/dbraw/zinc/52/32/61/530523261.db2.gz OGIIHBWYGODBSF-SECBINFHSA-N 0 0 383.206 0.565 10 0 GCAERN Cn1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 ZINC000534293768 530523090 /nfs/dbraw/zinc/52/30/90/530523090.db2.gz WJRABJXNJKOUTL-UHFFFAOYSA-N 0 0 384.483 0.361 10 0 GCAERN Cc1nn2cc(S(=O)(=O)N3CC[C@H]4OCCN(C)[C@@H]4C3)cnc2c1Cl ZINC000328861622 530518577 /nfs/dbraw/zinc/51/85/77/530518577.db2.gz ZIBSJROCAWTULJ-CHWSQXEVSA-N 0 0 385.877 0.785 10 0 GCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000328902109 530518579 /nfs/dbraw/zinc/51/85/79/530518579.db2.gz ZZFSRQUATCEAPC-IUCAKERBSA-N 0 0 380.392 0.813 10 0 GCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000328902107 530518628 /nfs/dbraw/zinc/51/86/28/530518628.db2.gz ZZFSRQUATCEAPC-BDAKNGLRSA-N 0 0 380.392 0.813 10 0 GCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000328902110 530518658 /nfs/dbraw/zinc/51/86/58/530518658.db2.gz ZZFSRQUATCEAPC-RKDXNWHRSA-N 0 0 380.392 0.813 10 0 GCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000328904324 530518660 /nfs/dbraw/zinc/51/86/60/530518660.db2.gz JEKTUHDTGCYVQJ-VXGBXAGGSA-N 0 0 389.568 0.775 10 0 GCAERN CC[C@@H](C[C@@H](C)CO)NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000533976873 530521996 /nfs/dbraw/zinc/52/19/96/530521996.db2.gz NMCQZUZQNRSJIP-PWSUYJOCSA-N 0 0 376.450 0.938 10 0 GCAERN CCO[C@@H]1C[C@@](NC(=O)c2ccc(S(N)(=O)=O)s2)(C(=O)OC)C1(C)C ZINC000444543415 530546405 /nfs/dbraw/zinc/54/64/05/530546405.db2.gz FCSDFHZMKHSMEI-MEBBXXQBSA-N 0 0 390.483 0.872 10 0 GCAERN COc1ccc(F)cc1CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000188680954 530549623 /nfs/dbraw/zinc/54/96/23/530549623.db2.gz YOSTZDRNTXPXAH-UHFFFAOYSA-N 0 0 386.177 0.763 10 0 GCAERN CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531856228 530523408 /nfs/dbraw/zinc/52/34/08/530523408.db2.gz KBSRNIUGQHGMKR-ZDUSSCGKSA-N 0 0 398.547 0.699 10 0 GCAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(c2ncncc2Br)CC1 ZINC000408436485 530524288 /nfs/dbraw/zinc/52/42/88/530524288.db2.gz CXNUCWPPUGZFFW-LBPRGKRZSA-N 0 0 384.278 0.608 10 0 GCAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000670855732 530526443 /nfs/dbraw/zinc/52/64/43/530526443.db2.gz FVLVDFMVWOHCIY-OAHLLOKOSA-N 0 0 387.479 0.849 10 0 GCAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N2CCOC[C@H]2C[C@@H](C)O)CC1 ZINC000408446296 530528427 /nfs/dbraw/zinc/52/84/27/530528427.db2.gz JNKFMEZWZBDSNM-UKRRQHHQSA-N 0 0 377.507 0.370 10 0 GCAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N2CCOC[C@@H]2C[C@H](C)O)CC1 ZINC000408446297 530528439 /nfs/dbraw/zinc/52/84/39/530528439.db2.gz JNKFMEZWZBDSNM-ZFWWWQNUSA-N 0 0 377.507 0.370 10 0 GCAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N2CCOC[C@@H]2C[C@@H](C)O)CC1 ZINC000408446295 530528483 /nfs/dbraw/zinc/52/84/83/530528483.db2.gz JNKFMEZWZBDSNM-HIFRSBDPSA-N 0 0 377.507 0.370 10 0 GCAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N2CC[C@@H](C)S(=O)(=O)CC2)CC1 ZINC000408446908 530528527 /nfs/dbraw/zinc/52/85/27/530528527.db2.gz SIGMDDLVDGNNNV-CYBMUJFWSA-N 0 0 395.547 0.408 10 0 GCAERN COC(=O)c1nscc1S(=O)(=O)N1CCCN(c2cccnn2)CC1 ZINC000443240720 530530861 /nfs/dbraw/zinc/53/08/61/530530861.db2.gz KPICWZLGZGXIJV-UHFFFAOYSA-N 0 0 383.455 0.621 10 0 GCAERN C[C@@](O)(CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1 ZINC000443260499 530531848 /nfs/dbraw/zinc/53/18/48/530531848.db2.gz CXNUSYFMVQSXHM-MRXNPFEDSA-N 0 0 388.511 0.910 10 0 GCAERN C[C@](O)(CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1 ZINC000443260497 530532034 /nfs/dbraw/zinc/53/20/34/530532034.db2.gz CXNUSYFMVQSXHM-INIZCTEOSA-N 0 0 388.511 0.910 10 0 GCAERN CNS(=O)(=O)c1ccc(CNC(=O)Cn2c(=O)[nH]c3ccccc32)s1 ZINC000192891135 530533216 /nfs/dbraw/zinc/53/32/16/530533216.db2.gz MOMCGMWACQGNJI-UHFFFAOYSA-N 0 0 380.451 0.616 10 0 GCAERN O=S(=O)(NC[C@H](O)C(F)(F)F)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444067245 530540830 /nfs/dbraw/zinc/54/08/30/530540830.db2.gz AVHFCKSTZGGBON-NSHDSACASA-N 0 0 388.389 0.329 10 0 GCAERN CCN(CC(=O)OC)S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444080712 530541902 /nfs/dbraw/zinc/54/19/02/530541902.db2.gz ZRZUKPDBJCOOLY-UHFFFAOYSA-N 0 0 376.456 0.311 10 0 GCAERN Cn1cc([C@H](NC(=O)CSCC(=O)N2CCOCC2)C(F)(F)F)cn1 ZINC000446914810 530555796 /nfs/dbraw/zinc/55/57/96/530555796.db2.gz ABQLXIUKXUSWKC-ZDUSSCGKSA-N 0 0 380.392 0.732 10 0 GCAERN Cc1nc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)ccc1Br ZINC000447220176 530558796 /nfs/dbraw/zinc/55/87/96/530558796.db2.gz 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/nfs/dbraw/zinc/58/18/60/530581860.db2.gz NTHRTCCWXQTIIB-NWDGAFQWSA-N 0 0 386.499 0.561 10 0 GCAERN CCOC(=O)CN(C)C(=O)CN1CCN(c2ccc(Br)cn2)CC1 ZINC000171917226 530598430 /nfs/dbraw/zinc/59/84/30/530598430.db2.gz UXQJGIUAZQXUBE-UHFFFAOYSA-N 0 0 399.289 0.988 10 0 GCAERN CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NC ZINC000452091653 530599074 /nfs/dbraw/zinc/59/90/74/530599074.db2.gz TWECSYFCQCFXIR-CQSZACIVSA-N 0 0 389.499 0.274 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)CNS(=O)(=O)c2cccs2)CC12COC2 ZINC000452218349 530600696 /nfs/dbraw/zinc/60/06/96/530600696.db2.gz BGARWZVFGLSTOG-LLVKDONJSA-N 0 0 388.467 0.065 10 0 GCAERN COc1ccc(F)c(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)c1 ZINC000532294262 530603754 /nfs/dbraw/zinc/60/37/54/530603754.db2.gz CRKZKMZQBOEMED-UHFFFAOYSA-N 0 0 375.422 0.607 10 0 GCAERN CCc1cnc(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)s1 ZINC000173809718 530604404 /nfs/dbraw/zinc/60/44/04/530604404.db2.gz HCZUMVBQASQNLG-UHFFFAOYSA-N 0 0 380.451 0.756 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@@](O)(C(F)F)C2)c1 ZINC000452685606 530605673 /nfs/dbraw/zinc/60/56/73/530605673.db2.gz PIDFHYIDXVGZOM-HNNXBMFYSA-N 0 0 376.381 0.396 10 0 GCAERN CC[C@H](CNS(C)(=O)=O)NC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000453852932 530609363 /nfs/dbraw/zinc/60/93/63/530609363.db2.gz ZBRVKRQVXOMPBH-VHSXEESVSA-N 0 0 388.515 0.650 10 0 GCAERN CC[C@H](CNS(C)(=O)=O)NC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000453852930 530609447 /nfs/dbraw/zinc/60/94/47/530609447.db2.gz ZBRVKRQVXOMPBH-NXEZZACHSA-N 0 0 388.515 0.650 10 0 GCAERN CC[C@@H](CNS(C)(=O)=O)NC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000454466639 530611486 /nfs/dbraw/zinc/61/14/86/530611486.db2.gz VPKXJUJYVIOSMN-JTQLQIEISA-N 0 0 378.476 0.044 10 0 GCAERN C[C@@H]1CN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CCS1(=O)=O ZINC000329434108 530612384 /nfs/dbraw/zinc/61/23/84/530612384.db2.gz LITBPIZJKRANMB-CYBMUJFWSA-N 0 0 385.511 0.151 10 0 GCAERN C[C@@H]1CN(S(=O)(=O)N2CSC[C@H]2C(=O)N2CCSCC2)C[C@@H](C)O1 ZINC000329456303 530613017 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CC[C@H](CO)N1CCN(S(=O)(=O)CC[C@H]2CCCCN2C(C)=O)CC1 ZINC000330201231 530628962 /nfs/dbraw/zinc/62/89/62/530628962.db2.gz XLIIEADBXSOTTP-IAGOWNOFSA-N 0 0 375.535 0.496 10 0 GCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000330192845 530629140 /nfs/dbraw/zinc/62/91/40/530629140.db2.gz NYALKMFMHXQEHV-GZBFAFLISA-N 0 0 380.532 0.615 10 0 GCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000330192846 530629185 /nfs/dbraw/zinc/62/91/85/530629185.db2.gz NYALKMFMHXQEHV-KCQAQPDRSA-N 0 0 380.532 0.615 10 0 GCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000330198439 530629416 /nfs/dbraw/zinc/62/94/16/530629416.db2.gz UBIKRWNRJJCOGM-GJZGRUSLSA-N 0 0 395.547 0.108 10 0 GCAERN Cc1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)cc1I ZINC000458131508 530629576 /nfs/dbraw/zinc/62/95/76/530629576.db2.gz GLQYMJGUDYBLLL-LLVKDONJSA-N 0 0 386.193 0.982 10 0 GCAERN O=C(Cc1cc2c(cc1Br)OCCO2)NC[C@@H](O)Cn1ccnn1 ZINC000458149935 530629581 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C/C=C/C[C@H](NS(=O)(=O)N1CCC[C@H](C(=O)OCC)C1)C(=O)OCC ZINC000583671346 530688043 /nfs/dbraw/zinc/68/80/43/530688043.db2.gz CZZWMHGNOYLDEK-SZBGIYDQSA-N 0 0 376.475 0.994 10 0 GCAERN CCN1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000108718263 530689500 /nfs/dbraw/zinc/68/95/00/530689500.db2.gz YCBSGUDZGIUEHX-AWEZNQCLSA-N 0 0 387.527 0.890 10 0 GCAERN CCOC(=O)c1csc(CCNC(=O)c2ccc(S(=O)(=O)NC)o2)n1 ZINC000469943633 530692493 /nfs/dbraw/zinc/69/24/93/530692493.db2.gz JUXUGFYHFKFRMZ-UHFFFAOYSA-N 0 0 387.439 0.793 10 0 GCAERN CCCCN(C(=O)CN1CCSC[C@H]1CCO)[C@H]1CCS(=O)(=O)C1 ZINC000470202684 530692971 /nfs/dbraw/zinc/69/29/71/530692971.db2.gz KMMOTVRIDWPDKT-CABCVRRESA-N 0 0 378.560 0.602 10 0 GCAERN CCOC(=O)c1csc(CCNC(=O)CS(=O)(=O)N(CC)CC)n1 ZINC000470321503 530693532 /nfs/dbraw/zinc/69/35/32/530693532.db2.gz AWCWDFKQOXKFIM-UHFFFAOYSA-N 0 0 377.488 0.650 10 0 GCAERN COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@](C)(COC)C(F)(F)F)c1 ZINC000470517710 530695091 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COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)N2CCC[C@H]2C)c1 ZINC000472574985 530706628 /nfs/dbraw/zinc/70/66/28/530706628.db2.gz SZGZSVIUEUTPCH-CYBMUJFWSA-N 0 0 391.515 0.430 10 0 GCAERN COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)N2CCC[C@H]2C)cc1 ZINC000472594933 530706694 /nfs/dbraw/zinc/70/66/94/530706694.db2.gz CSYWTOXMCYJASX-CYBMUJFWSA-N 0 0 391.515 0.430 10 0 GCAERN CO[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000472946846 530709518 /nfs/dbraw/zinc/70/95/18/530709518.db2.gz DMBCNTDVWDXDLE-RYUDHWBXSA-N 0 0 389.499 0.346 10 0 GCAERN Cn1cc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc(Br)c1=O ZINC000473706690 530713368 /nfs/dbraw/zinc/71/33/68/530713368.db2.gz QUGRICVPDOMDGM-LLVKDONJSA-N 0 0 387.234 0.253 10 0 GCAERN CCS(=O)(=O)N(C)CCCNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000474069026 530714600 /nfs/dbraw/zinc/71/46/00/530714600.db2.gz WTRQIGJECJAIID-INIZCTEOSA-N 0 0 377.507 0.638 10 0 GCAERN C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)CS2 ZINC000367711294 530715069 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CCOC(=O)c1csc(CCNC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)n1 ZINC000370247630 530740125 /nfs/dbraw/zinc/74/01/25/530740125.db2.gz QGLIPXSJUWOXSZ-SNVBAGLBSA-N 0 0 390.487 0.325 10 0 GCAERN COC(=O)c1cc(OC)c(S(=O)(=O)N2CCN(C(C)=O)C[C@@H]2C)s1 ZINC000477183018 530740508 /nfs/dbraw/zinc/74/05/08/530740508.db2.gz QDERJKQPMLVXEF-VIFPVBQESA-N 0 0 376.456 0.785 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC2(S(C)(=O)=O)CC2)cc1C ZINC000477281579 530741853 /nfs/dbraw/zinc/74/18/53/530741853.db2.gz QAYBVGYOWMLFLO-UHFFFAOYSA-N 0 0 388.511 0.617 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)NCC2(S(C)(=O)=O)CCC2)CC1 ZINC000474977625 530721890 /nfs/dbraw/zinc/72/18/90/530721890.db2.gz UCCVWERZVAWXOS-UHFFFAOYSA-N 0 0 375.491 0.233 10 0 GCAERN O=C(N[C@@H]1CC[S@@](=O)C1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000474971318 530721945 /nfs/dbraw/zinc/72/19/45/530721945.db2.gz SIOQBAINKYBNKD-HIMNYSJASA-N 0 0 376.525 0.929 10 0 GCAERN CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCSC[C@@H]2CCO)c1 ZINC000578093742 530725866 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Cc1nnc([C@@H]2CCCCN2S(=O)(=O)c2cccc(S(N)(=O)=O)c2)[nH]1 ZINC000508212725 530911153 /nfs/dbraw/zinc/91/11/53/530911153.db2.gz VEBXFAYMGHNICH-ZDUSSCGKSA-N 0 0 385.471 0.676 10 0 GCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Cl)CC2 ZINC000114890534 530933398 /nfs/dbraw/zinc/93/33/98/530933398.db2.gz IILTVJIRFNPEAL-VIFPVBQESA-N 0 0 383.861 0.886 10 0 GCAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)CC2 ZINC000114867074 530933529 /nfs/dbraw/zinc/93/35/29/530933529.db2.gz BMXDLNQNKUIKBU-NSHDSACASA-N 0 0 380.246 0.896 10 0 GCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCNS(=O)(=O)c1cccs1)CC2 ZINC000114868952 530933766 /nfs/dbraw/zinc/93/37/66/530933766.db2.gz HZLIAXIUCSIJHJ-NSHDSACASA-N 0 0 383.499 0.702 10 0 GCAERN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@@]3(CCOC3)C2)cc1 ZINC000274360954 530933780 /nfs/dbraw/zinc/93/37/80/530933780.db2.gz DATDFUJSVPHOKC-HNNXBMFYSA-N 0 0 390.483 0.117 10 0 GCAERN COC(=O)C1(NC(=O)CN(C)c2ccc(Cl)cn2)CCS(=O)(=O)CC1 ZINC000610689692 530919658 /nfs/dbraw/zinc/91/96/58/530919658.db2.gz IBSJGDVNGHTYBO-UHFFFAOYSA-N 0 0 389.861 0.408 10 0 GCAERN COC(=O)[C@H]1CCCCCC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000610711628 530920588 /nfs/dbraw/zinc/92/05/88/530920588.db2.gz FSIPCDXNXBQUAB-KBPBESRZSA-N 0 0 381.516 0.995 10 0 GCAERN COC(=O)[C@@H]1CCCCCC[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000610711631 530920642 /nfs/dbraw/zinc/92/06/42/530920642.db2.gz FSIPCDXNXBQUAB-ZIAGYGMSSA-N 0 0 381.516 0.995 10 0 GCAERN COC(=O)[C@@H]1CCCCCC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000610711629 530920788 /nfs/dbraw/zinc/92/07/88/530920788.db2.gz FSIPCDXNXBQUAB-KGLIPLIRSA-N 0 0 381.516 0.995 10 0 GCAERN Cc1ncsc1CCS(=O)(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000333656703 530924164 /nfs/dbraw/zinc/92/41/64/530924164.db2.gz FYQJUXIXLOBBFP-LBPRGKRZSA-N 0 0 381.545 0.680 10 0 GCAERN CS(=O)(=O)NC1CCN(C(=O)CN2C(=O)CSc3ccccc32)CC1 ZINC000010663528 530924265 /nfs/dbraw/zinc/92/42/65/530924265.db2.gz MZXXNEXIUBQERE-UHFFFAOYSA-N 0 0 383.495 0.666 10 0 GCAERN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(CNS(C)(=O)=O)CC1 ZINC000510246353 530924951 /nfs/dbraw/zinc/92/49/51/530924951.db2.gz YSEHMFIWGIWWME-SECBINFHSA-N 0 0 388.412 0.024 10 0 GCAERN OC[C@H]1O[C@H](Oc2ccc3cc(Br)ccc3c2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000022053320 530925691 /nfs/dbraw/zinc/92/56/91/530925691.db2.gz NLRXQZJJCPRATR-YXMSTPNBSA-N 0 0 385.210 0.781 10 0 in-vitro GCAERN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000510360961 530926202 /nfs/dbraw/zinc/92/62/02/530926202.db2.gz ATIGAIGQNDVVCA-ZIAGYGMSSA-N 0 0 396.531 0.309 10 0 GCAERN Cc1ccc(S(=O)(=O)N2CCC(CNS(C)(=O)=O)CC2)cc1C(N)=O ZINC000510457968 530927250 /nfs/dbraw/zinc/92/72/50/530927250.db2.gz IIOVXDIZWHGSIH-UHFFFAOYSA-N 0 0 389.499 0.044 10 0 GCAERN C[C@@H]1CCCN1S(=O)(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000510585099 530928663 /nfs/dbraw/zinc/92/86/63/530928663.db2.gz RQJIAOQSCMYYKP-LLVKDONJSA-N 0 0 389.490 0.707 10 0 GCAERN O=S(=O)(c1c(F)cccc1Cl)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000131017534 530942343 /nfs/dbraw/zinc/94/23/43/530942343.db2.gz MQJORYJOONOHTB-NSHDSACASA-N 0 0 396.893 0.973 10 0 GCAERN COC[C@@H](CNS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC)OC ZINC000512416591 530942924 /nfs/dbraw/zinc/94/29/24/530942924.db2.gz WPFDEUZETNBJJC-SNVBAGLBSA-N 0 0 377.415 0.430 10 0 GCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000366427223 530946960 /nfs/dbraw/zinc/94/69/60/530946960.db2.gz BGMXYOSLNJJGQI-MGPQQGTHSA-N 0 0 390.527 0.698 10 0 GCAERN NC(=O)N[C@H]1CCN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000513385625 530948403 /nfs/dbraw/zinc/94/84/03/530948403.db2.gz YJKWFLLSYYPXED-LBPRGKRZSA-N 0 0 386.861 0.237 10 0 GCAERN Cc1cc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)ncc1Br ZINC000193609790 530949631 /nfs/dbraw/zinc/94/96/31/530949631.db2.gz QURVBUAJMMJFJD-NSHDSACASA-N 0 0 382.262 0.207 10 0 GCAERN CN1CCO[C@H](CNC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000195037691 530950680 /nfs/dbraw/zinc/95/06/80/530950680.db2.gz HGRLBZAKGJSNEL-LLVKDONJSA-N 0 0 391.287 0.913 10 0 GCAERN O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000262295701 530975111 /nfs/dbraw/zinc/97/51/11/530975111.db2.gz PBHFFZLUXGAIQU-JSGCOSHPSA-N 0 0 381.479 0.859 10 0 GCAERN C[C@@H]1CC[S@](=O)CCN1CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000370202853 530977440 /nfs/dbraw/zinc/97/74/40/530977440.db2.gz CWVKTBRDAYVXHN-OZYPNJIESA-N 0 0 390.571 0.788 10 0 GCAERN Cn1ncc(C(=O)NCCCN2CCCC2=O)c1I ZINC000292829006 530982507 /nfs/dbraw/zinc/98/25/07/530982507.db2.gz YPZCERPISWZTHV-UHFFFAOYSA-N 0 0 376.198 0.767 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCn1cc(Br)cn1 ZINC000618719854 530982886 /nfs/dbraw/zinc/98/28/86/530982886.db2.gz BVTNMSDACATANV-UWVGGRQHSA-N 0 0 389.250 0.608 10 0 GCAERN COc1cc(Br)ccc1[C@H](C)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000189137037 530969294 /nfs/dbraw/zinc/96/92/94/530969294.db2.gz IUODZTITJPMBKP-LURJTMIESA-N 0 0 383.202 0.908 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cn1C ZINC000524872975 530991637 /nfs/dbraw/zinc/99/16/37/530991637.db2.gz UYTAKWBZQZDXKS-WDEREUQCSA-N 0 0 377.488 0.019 10 0 GCAERN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1C[C@@H](F)C[C@H]1CO ZINC000372556691 530994350 /nfs/dbraw/zinc/99/43/50/530994350.db2.gz KGKIKBNPXRPJOJ-QWRGUYRKSA-N 0 0 377.463 0.297 10 0 GCAERN C[C@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC(=O)N1C ZINC000367119028 530995136 /nfs/dbraw/zinc/99/51/36/530995136.db2.gz LJQWFENLOXVACT-QWHCGFSZSA-N 0 0 385.511 0.980 10 0 GCAERN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H]1CC(F)(F)CN1 ZINC000262693038 530998657 /nfs/dbraw/zinc/99/86/57/530998657.db2.gz ASCYPUVHKXSPDF-NSHDSACASA-N 0 0 395.453 0.382 10 0 GCAERN COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(OC)c1 ZINC000242415839 530997903 /nfs/dbraw/zinc/99/79/03/530997903.db2.gz BHIOQIPTNAIFLS-AWEZNQCLSA-N 0 0 377.484 0.661 10 0 GCAERN C[C@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)c1cccc(Br)c1 ZINC000193587308 530988794 /nfs/dbraw/zinc/98/87/94/530988794.db2.gz IWSKJLMLLKVPIP-VIFPVBQESA-N 0 0 394.229 0.947 10 0 GCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)C1 ZINC000373154697 530998389 /nfs/dbraw/zinc/99/83/89/530998389.db2.gz PWMRTJZJLDERLE-KGLIPLIRSA-N 0 0 389.543 0.618 10 0 GCAERN O=S(=O)(C1CCS(=O)(=O)CC1)N1CCNC[C@H]1c1cccc(F)c1 ZINC000261611614 530989361 /nfs/dbraw/zinc/98/93/61/530989361.db2.gz ABNVDBLORTXCSG-HNNXBMFYSA-N 0 0 376.475 0.679 10 0 GCAERN O=S(=O)(C1CCS(=O)(=O)CC1)N1CCNC[C@@H]1c1cccc(F)c1 ZINC000261611618 530989568 /nfs/dbraw/zinc/98/95/68/530989568.db2.gz ABNVDBLORTXCSG-OAHLLOKOSA-N 0 0 376.475 0.679 10 0 GCAERN C[C@@H]1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)CCN1S(C)(=O)=O ZINC000661679687 531016067 /nfs/dbraw/zinc/01/60/67/531016067.db2.gz GRIHFICESVHJBP-CYBMUJFWSA-N 0 0 375.516 0.403 10 0 GCAERN Cc1nc(CN(C)S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)no1 ZINC000538673884 531034761 /nfs/dbraw/zinc/03/47/61/531034761.db2.gz AESQWSPRIQKJTB-UHFFFAOYSA-N 0 0 386.455 0.639 10 0 GCAERN CC(C)(C)NS(=O)(=O)CCNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000527218412 531022385 /nfs/dbraw/zinc/02/23/85/531022385.db2.gz NQOLSVKKLTYVGB-INIZCTEOSA-N 0 0 377.507 0.684 10 0 GCAERN CC(C)(O)C(C)(C)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000538605999 531035016 /nfs/dbraw/zinc/03/50/16/531035016.db2.gz VSIAVJPMUDMLBQ-UHFFFAOYSA-N 0 0 390.527 0.977 10 0 GCAERN CC[C@@H]1CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CCN1CC(F)F ZINC000124867586 531029156 /nfs/dbraw/zinc/02/91/56/531029156.db2.gz IJZDPLAXPVUPQX-CYBMUJFWSA-N 0 0 382.477 0.781 10 0 GCAERN CS(=O)(=O)c1ccc(OCCNC(=O)N2CCSC[C@H]2CCO)cc1 ZINC000538210810 531030879 /nfs/dbraw/zinc/03/08/79/531030879.db2.gz LOLDOAJQGSBGBW-CYBMUJFWSA-N 0 0 388.511 0.978 10 0 GCAERN CN(CCNC(=O)N1CCSC[C@H]1CCO)S(=O)(=O)c1cccs1 ZINC000538210880 531031122 /nfs/dbraw/zinc/03/11/22/531031122.db2.gz NJCCPKIVCZNRHX-GFCCVEGCSA-N 0 0 393.556 0.878 10 0 GCAERN CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(CCCO)CC2)s1 ZINC000538264320 531031738 /nfs/dbraw/zinc/03/17/38/531031738.db2.gz TUDUHEVRZKOQBK-UHFFFAOYSA-N 0 0 375.516 0.115 10 0 GCAERN CC1(C)CN(S(=O)(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CCO1 ZINC000263515694 531003514 /nfs/dbraw/zinc/00/35/14/531003514.db2.gz ZRZWHQKXJKRKIP-UHFFFAOYSA-N 0 0 375.491 0.259 10 0 GCAERN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000613917532 531004251 /nfs/dbraw/zinc/00/42/51/531004251.db2.gz GOVZYKYABMIROK-CHWSQXEVSA-N 0 0 382.504 0.063 10 0 GCAERN NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000107301861 531035887 /nfs/dbraw/zinc/03/58/87/531035887.db2.gz MNTACAPVUGXDTO-RYUDHWBXSA-N 0 0 386.440 0.292 10 0 GCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000533153886 531036944 /nfs/dbraw/zinc/03/69/44/531036944.db2.gz SWAXREFVEYMTFJ-UHFFFAOYSA-N 0 0 385.471 0.132 10 0 GCAERN O=S(=O)(Cc1ccccc1CNS(=O)(=O)[C@@H]1CCOC1)N1CCCC1 ZINC000533177950 531037728 /nfs/dbraw/zinc/03/77/28/531037728.db2.gz NSNFVLZOFXCBAN-MRXNPFEDSA-N 0 0 388.511 0.821 10 0 GCAERN O=S(=O)(Cc1ccccc1CNS(=O)(=O)[C@H]1CCOC1)N1CCCC1 ZINC000533177949 531037790 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C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cnn(C)c1I ZINC000379111768 677370096 /nfs/dbraw/zinc/37/00/96/677370096.db2.gz JUPNONGNCAJUJJ-YUMQZZPRSA-N 0 0 376.198 0.751 10 0 GCAERN COC(=O)[C@H]1CN(C(=O)c2cnn(C)c2I)C[C@H]1C ZINC000379152107 677370125 /nfs/dbraw/zinc/37/01/25/677370125.db2.gz GFOPIDGQKOMKFA-APPZFPTMSA-N 0 0 377.182 0.906 10 0 GCAERN CC(=O)N1CCc2cc(NC(=O)C(=O)NCC(=O)NCc3ccco3)ccc21 ZINC000049343675 1192166878 /nfs/dbraw/zinc/16/68/78/1192166878.db2.gz HPJWMPSXVAXZJW-UHFFFAOYSA-N 0 0 384.392 0.560 10 0 GCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCOC[C@H]2c2ccnn2C)c1 ZINC000652282555 1192176879 /nfs/dbraw/zinc/17/68/79/1192176879.db2.gz JMJBXLDOUDUSDN-KRWDZBQOSA-N 0 0 385.424 0.941 10 0 GCAERN CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCOC[C@@H]3c3ccnn3C)ccc21 ZINC000652284010 1192177601 /nfs/dbraw/zinc/17/76/01/1192177601.db2.gz CNRRHJQDQPYYSU-GOSISDBHSA-N 0 0 397.435 0.868 10 0 GCAERN C=CCNC(=O)CN1CCN(C(=O)COc2cc(OC)ccc2C=O)CC1 ZINC000053799624 1192194741 /nfs/dbraw/zinc/19/47/41/1192194741.db2.gz IZAIGBMQFKOULJ-UHFFFAOYSA-N 0 0 375.425 0.333 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)Cc1noc2ccccc12 ZINC000487365885 1192195237 /nfs/dbraw/zinc/19/52/37/1192195237.db2.gz MWAPOQOGPQROHK-GHMZBOCLSA-N 0 0 383.426 0.704 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000487367396 1192199762 /nfs/dbraw/zinc/19/97/62/1192199762.db2.gz MXMAMZVVFJSUIZ-MNOVXSKESA-N 0 0 395.437 0.263 10 0 GCAERN CO[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000473159075 1192200378 /nfs/dbraw/zinc/20/03/78/1192200378.db2.gz HAKRQYYBGDJDCM-OLZOCXBDSA-N 0 0 384.454 0.810 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC[C@H](c2ccnn2C)C1 ZINC000511953035 1192224825 /nfs/dbraw/zinc/22/48/25/1192224825.db2.gz NISALCYUCOIRDZ-RDBSUJKOSA-N 0 0 379.461 0.765 10 0 GCAERN OC[C@H]1O[C@@H](n2cnc3c2ncnc3NCCc2ccsc2)[C@H](O)[C@@H]1O ZINC000049785057 1192225897 /nfs/dbraw/zinc/22/58/97/1192225897.db2.gz ICWJJMYDWRZACR-XNIJJKJLSA-N 0 0 377.426 0.154 10 0 GCAERN O=C1CCc2cc(S(=O)(=O)N3CCN(CCO)CC3)cc3c2N1CCC3 ZINC000408210092 1192255451 /nfs/dbraw/zinc/25/54/51/1192255451.db2.gz YBJAIHBVRIMBKY-UHFFFAOYSA-N 0 0 379.482 0.211 10 0 GCAERN C[C@@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@H]1C ZINC000408216688 1192273445 /nfs/dbraw/zinc/27/34/45/1192273445.db2.gz XFSMWGPNPXWKAL-BZUAXINKSA-N 0 0 388.534 0.715 10 0 GCAERN Cn1c2ncn(CCC(=O)Nc3cccc(-c4nc[nH]n4)c3)c2c(=O)n(C)c1=O ZINC000511966223 1192274616 /nfs/dbraw/zinc/27/46/16/1192274616.db2.gz XHNDHAHOQMVIPP-UHFFFAOYSA-N 0 0 394.395 0.248 10 0 GCAERN CC(=O)N1CCN(c2ccccc2CNC(=O)NC[C@@H](O)[C@H]2CCCO2)CC1 ZINC000636698599 1192270252 /nfs/dbraw/zinc/27/02/52/1192270252.db2.gz YCLFZAXIQTZRKT-RTBURBONSA-N 0 0 390.484 0.694 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000602123572 1192279166 /nfs/dbraw/zinc/27/91/66/1192279166.db2.gz OCJYRGPHENWINE-HZPDHXFCSA-N 0 0 385.530 0.957 10 0 GCAERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000408220931 1192286247 /nfs/dbraw/zinc/28/62/47/1192286247.db2.gz AYNQMEXFRWTPOL-MPBGBICISA-N 0 0 388.468 0.939 10 0 GCAERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000408222919 1192294736 /nfs/dbraw/zinc/29/47/36/1192294736.db2.gz RZUAMFOLMHJHJH-MPBGBICISA-N 0 0 388.468 0.939 10 0 GCAERN O=S(=O)(N1CCOCC1)N1CCN(Cc2nc3cc(F)ccc3o2)CC1 ZINC000408246180 1192333900 /nfs/dbraw/zinc/33/39/00/1192333900.db2.gz KJPYNXFQFGZTNZ-UHFFFAOYSA-N 0 0 384.433 0.662 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000636890840 1192335074 /nfs/dbraw/zinc/33/50/74/1192335074.db2.gz BQGFEOKKGYTERG-INIZCTEOSA-N 0 0 396.532 0.509 10 0 GCAERN CO[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC[C@@H]1C ZINC000408254583 1192343038 /nfs/dbraw/zinc/34/30/38/1192343038.db2.gz DQAZCYHWFXXUJW-BBRMVZONSA-N 0 0 399.517 0.640 10 0 GCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000408255975 1192343322 /nfs/dbraw/zinc/34/33/22/1192343322.db2.gz VARZFDQWBRSQMA-CQSZACIVSA-N 0 0 384.506 0.066 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000728881173 1192349483 /nfs/dbraw/zinc/34/94/83/1192349483.db2.gz SIDRSCDQCNOGSJ-CJNGLKHVSA-N 0 0 382.530 0.499 10 0 GCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000408268664 1192350625 /nfs/dbraw/zinc/35/06/25/1192350625.db2.gz CDNJXZSOWRSPDG-DZGCQCFKSA-N 0 0 386.518 0.630 10 0 GCAERN O=C(CN1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1)N1CCCC1 ZINC000051793305 1192357218 /nfs/dbraw/zinc/35/72/18/1192357218.db2.gz MVRPWCOHZZPEBM-ROUUACIJSA-N 0 0 378.517 0.396 10 0 GCAERN Cc1noc(CN2CCN(C(=O)CNC(=O)Cc3cccc(F)c3)CC2)n1 ZINC000585691313 1192372106 /nfs/dbraw/zinc/37/21/06/1192372106.db2.gz YVFGSAPJEKALQA-UHFFFAOYSA-N 0 0 375.404 0.520 10 0 GCAERN C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000052395313 1192376461 /nfs/dbraw/zinc/37/64/61/1192376461.db2.gz GNVYBBMBKDNJGR-BPQIPLTHSA-N 0 0 378.517 0.441 10 0 GCAERN O=C(C(=O)N1CCN(C(=O)c2coc(C3CCCC3)n2)CC1)N1CCOCC1 ZINC000408305430 1192392620 /nfs/dbraw/zinc/39/26/20/1192392620.db2.gz JUOVRBFUKRAQQK-UHFFFAOYSA-N 0 0 390.440 0.475 10 0 GCAERN C[C@H]1Oc2ccccc2N(CCC(=O)NCCCN2CCCS2(=O)=O)C1=O ZINC000585735826 1192399675 /nfs/dbraw/zinc/39/96/75/1192399675.db2.gz KEHUHHQQGFCZNI-CQSZACIVSA-N 0 0 395.481 0.732 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000585733507 1192399976 /nfs/dbraw/zinc/39/99/76/1192399976.db2.gz BCOFIUAYBXVRFO-UHFFFAOYSA-N 0 0 389.437 0.331 10 0 GCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCCCN1CCCS1(=O)=O ZINC000585733400 1192399993 /nfs/dbraw/zinc/39/99/93/1192399993.db2.gz KXWCYWAIHYHQEY-UHFFFAOYSA-N 0 0 395.485 0.526 10 0 GCAERN Cc1nc2ccccc2c(=O)n1CC(=O)NCCCN1CCCS1(=O)=O ZINC000585735202 1192400406 /nfs/dbraw/zinc/40/04/06/1192400406.db2.gz RJJVDLNDDUVLCW-UHFFFAOYSA-N 0 0 378.454 0.247 10 0 GCAERN Cc1nc(C(=O)NCCCN2CCCS2(=O)=O)nn1-c1ccc(F)cc1 ZINC000585736091 1192400422 /nfs/dbraw/zinc/40/04/22/1192400422.db2.gz OUSNRHGPDUNWDA-UHFFFAOYSA-N 0 0 381.433 0.870 10 0 GCAERN C[C@@H]1Oc2ccccc2N(CC(=O)NCCCN2CCCS2(=O)=O)C1=O ZINC000585735696 1192400619 /nfs/dbraw/zinc/40/06/19/1192400619.db2.gz IBYMIIXYMOPKCM-ZDUSSCGKSA-N 0 0 381.454 0.342 10 0 GCAERN CCn1c2ccccc2n(CC(=O)NCCCN2CCCS2(=O)=O)c1=O ZINC000585735506 1192401652 /nfs/dbraw/zinc/40/16/52/1192401652.db2.gz CFSQMTMUBBDMGM-UHFFFAOYSA-N 0 0 380.470 0.365 10 0 GCAERN COc1cc(CC(=O)NCCCN2CCCS2(=O)=O)cc(OC)c1OC ZINC000585738384 1192401759 /nfs/dbraw/zinc/40/17/59/1192401759.db2.gz WCGIXZJBOQUHAR-UHFFFAOYSA-N 0 0 386.470 0.797 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000585737585 1192402549 /nfs/dbraw/zinc/40/25/49/1192402549.db2.gz CKTOCOKTMMRRMB-INIZCTEOSA-N 0 0 379.482 0.577 10 0 GCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)S4(=O)=O)[C@@H]2C1 ZINC000637153483 1192407183 /nfs/dbraw/zinc/40/71/83/1192407183.db2.gz OSBKPCXQPKQJRX-DMRKSPOLSA-N 0 0 383.514 0.995 10 0 GCAERN CC[C@@H](C)n1ncc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1C ZINC000408330853 1192447187 /nfs/dbraw/zinc/44/71/87/1192447187.db2.gz KURVQLIYVZSDJN-CQSZACIVSA-N 0 0 399.517 0.497 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000050208166 1192465169 /nfs/dbraw/zinc/46/51/69/1192465169.db2.gz RIHKJSKADMYJEH-UHFFFAOYSA-N 0 0 375.406 0.905 10 0 GCAERN CC1(C)CN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H]1C(F)(F)F ZINC000408351335 1192489994 /nfs/dbraw/zinc/48/99/94/1192489994.db2.gz ZPUKWZWPKFZUQE-GHMZBOCLSA-N 0 0 399.435 0.910 10 0 GCAERN c1cnnc(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@H]3CCOC3)CC2)c1 ZINC000549631676 1192490588 /nfs/dbraw/zinc/49/05/88/1192490588.db2.gz XWALKGDFHMZWEH-CVEARBPZSA-N 0 0 385.472 0.935 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1(NC(=O)NC(C)C)CCCCC1 ZINC000473227226 1192510977 /nfs/dbraw/zinc/51/09/77/1192510977.db2.gz QFATXSBUJOTCFH-KBPBESRZSA-N 0 0 398.504 0.969 10 0 GCAERN C[C@H]1CN(S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CCN1CCO ZINC000408365008 1192513875 /nfs/dbraw/zinc/51/38/75/1192513875.db2.gz DSLOXKJSZOQEGE-ZDUSSCGKSA-N 0 0 379.482 0.209 10 0 GCAERN Cc1c(NC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)cnn1C ZINC000187235710 1192521302 /nfs/dbraw/zinc/52/13/02/1192521302.db2.gz WMAXORILQRIXJW-UHFFFAOYSA-N 0 0 381.387 0.603 10 0 GCAERN O=C(c1ccccc1)N1CSC[C@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279373520 1192532611 /nfs/dbraw/zinc/53/26/11/1192532611.db2.gz DZSBPLYTFUXJNE-UGSOOPFHSA-N 0 0 388.449 0.402 10 0 GCAERN Cn1cc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2C[C@@H]2CCCCO2)cn1 ZINC000549659420 1192560535 /nfs/dbraw/zinc/56/05/35/1192560535.db2.gz HIXXRFMNNPDMTJ-SJORKVTESA-N 0 0 387.488 0.769 10 0 GCAERN Cn1c2cc(O)c(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)cc2n(C)c1=O ZINC000408374746 1192569634 /nfs/dbraw/zinc/56/96/34/1192569634.db2.gz QIQLUXFMSRBSFC-PXAZEXFGSA-N 0 0 376.438 0.975 10 0 GCAERN CC(C)C(=O)N1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000051261354 1192592212 /nfs/dbraw/zinc/59/22/12/1192592212.db2.gz BMENFSILHSVXLE-UHFFFAOYSA-N 0 0 378.517 0.648 10 0 GCAERN C[C@@H](NC(=O)CN1CCN(C)[C@H](c2nccn2C)C1)C(=O)N1CCCCC1 ZINC000279902676 1192616067 /nfs/dbraw/zinc/61/60/67/1192616067.db2.gz DPFCNBBQQMCUMT-CVEARBPZSA-N 0 0 376.505 0.226 10 0 GCAERN CN(CC(=O)N1CCNC[C@H]1c1cccnc1)S(=O)(=O)c1cccnc1 ZINC000261647907 1192634524 /nfs/dbraw/zinc/63/45/24/1192634524.db2.gz GDZHXXCXBYYCDO-INIZCTEOSA-N 0 0 375.454 0.270 10 0 GCAERN CC(C)[C@@H](C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O)S(=O)(=O)C1CCCCC1 ZINC000366164376 1192667469 /nfs/dbraw/zinc/66/74/69/1192667469.db2.gz SCJVBKLJDSCFGV-KSSFIOAISA-N 0 0 399.513 0.959 10 0 GCAERN Cc1nc(CN(C)S(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)no1 ZINC000512454373 1192710941 /nfs/dbraw/zinc/71/09/41/1192710941.db2.gz RQJFRISDPNRDRB-UHFFFAOYSA-N 0 0 395.363 0.829 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000410657509 1192789962 /nfs/dbraw/zinc/78/99/62/1192789962.db2.gz VUVRCBFGUFZBKZ-ZFWWWQNUSA-N 0 0 381.473 0.646 10 0 GCAERN CC(=O)CCCC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000549704055 1192852528 /nfs/dbraw/zinc/85/25/28/1192852528.db2.gz KIGYZVBXPMQRNM-INIZCTEOSA-N 0 0 389.500 0.709 10 0 GCAERN CCOCc1nnc(N2CCN(Cc3nc(C)no3)CC2)n1C[C@H]1CCOC1 ZINC000549696342 1192854589 /nfs/dbraw/zinc/85/45/89/1192854589.db2.gz ZCDZRYFXNOCLMC-OAHLLOKOSA-N 0 0 391.476 0.865 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)C1 ZINC000473296078 1192861163 /nfs/dbraw/zinc/86/11/63/1192861163.db2.gz BNBZEHSFHROABU-CQSZACIVSA-N 0 0 387.440 0.173 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(NC(=O)C3CC3)c2)C1 ZINC000473330563 1192866928 /nfs/dbraw/zinc/86/69/28/1192866928.db2.gz KOLLHIRATANOAK-OAHLLOKOSA-N 0 0 387.440 0.894 10 0 GCAERN CC(C)(C)c1nnc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000549771123 1192876657 /nfs/dbraw/zinc/87/66/57/1192876657.db2.gz FYLYMLBSRJMKMI-NWDGAFQWSA-N 0 0 396.513 1.458 10 0 GCAERN O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000549789694 1192882746 /nfs/dbraw/zinc/88/27/46/1192882746.db2.gz HEALVTWFEBSRJN-SMDDNHRTSA-N 0 0 386.399 0.771 10 0 GCAERN O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000549789692 1192883106 /nfs/dbraw/zinc/88/31/06/1192883106.db2.gz HEALVTWFEBSRJN-FZMZJTMJSA-N 0 0 386.399 0.771 10 0 GCAERN O=C(NCc1cccnc1)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332800502 1192903102 /nfs/dbraw/zinc/90/31/02/1192903102.db2.gz SQUUIPZMHKAQLI-XHSDSOJGSA-N 0 0 379.482 0.808 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)cc1 ZINC000614104064 1192903920 /nfs/dbraw/zinc/90/39/20/1192903920.db2.gz FGFNUCRSYMCHDB-IAGOWNOFSA-N 0 0 397.472 0.812 10 0 GCAERN O=C(NC[C@@H]1CCCCO1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332818370 1192904631 /nfs/dbraw/zinc/90/46/31/1192904631.db2.gz SYFKQFIEXJDVPV-QKPAOTATSA-N 0 0 386.514 0.781 10 0 GCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000332838672 1192905507 /nfs/dbraw/zinc/90/55/07/1192905507.db2.gz ANTBSJKMDTXNBQ-KKUMJFAQSA-N 0 0 387.436 0.415 10 0 GCAERN Cc1nccn1CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332830532 1192906387 /nfs/dbraw/zinc/90/63/87/1192906387.db2.gz DMWOAFJHEGDHBF-ARFHVFGLSA-N 0 0 396.513 0.417 10 0 GCAERN CN1C[C@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)N[C@@H]3CCC(=O)N(C)C3)C2)CCC1=O ZINC000332875727 1192908441 /nfs/dbraw/zinc/90/84/41/1192908441.db2.gz JZLGPVTYEDPUJN-KLHDSHLOSA-N 0 0 392.500 0.267 10 0 GCAERN O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000186645161 1184085224 /nfs/dbraw/zinc/08/52/24/1184085224.db2.gz CVZWQYFBIWZDNE-ROUUACIJSA-N 0 0 384.480 0.714 10 0 GCAERN Cn1cc(OCC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cn1 ZINC000579734849 1184121086 /nfs/dbraw/zinc/12/10/86/1184121086.db2.gz OUOJIDYYBNUZHT-CQSZACIVSA-N 0 0 396.444 0.908 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)[C@H](C)C1 ZINC000784907022 1184136276 /nfs/dbraw/zinc/13/62/76/1184136276.db2.gz LWSYANGWLYHHEN-HUUCEWRRSA-N 0 0 388.468 0.929 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000784906824 1184136338 /nfs/dbraw/zinc/13/63/38/1184136338.db2.gz JWRQRKVOUZTDLY-HNNXBMFYSA-N 0 0 396.447 0.914 10 0 GCAERN CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)Cc2ccoc2)CC3)CC1 ZINC000683123640 1184142973 /nfs/dbraw/zinc/14/29/73/1184142973.db2.gz AIPGDSCRTYWQHM-OAHLLOKOSA-N 0 0 385.468 0.785 10 0 GCAERN Cc1ncccc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000683125449 1184144187 /nfs/dbraw/zinc/14/41/87/1184144187.db2.gz YKASIFGYFRUJSY-INIZCTEOSA-N 0 0 396.495 0.967 10 0 GCAERN CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN(c4nncn4C)CC3)ccc21 ZINC000654905821 1184197834 /nfs/dbraw/zinc/19/78/34/1184197834.db2.gz OKASIYNLKILXOX-UHFFFAOYSA-N 0 0 397.439 0.011 10 0 GCAERN COC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2)CCO1 ZINC000579812411 1184236486 /nfs/dbraw/zinc/23/64/86/1184236486.db2.gz QZVLNGDPYGRBJT-MRXNPFEDSA-N 0 0 399.451 0.941 10 0 GCAERN COc1cc(CC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1C ZINC000029386540 1184249777 /nfs/dbraw/zinc/24/97/77/1184249777.db2.gz ABIHBLBQTSIYDH-UHFFFAOYSA-N 0 0 397.497 0.267 10 0 GCAERN CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1C ZINC000029386622 1184249874 /nfs/dbraw/zinc/24/98/74/1184249874.db2.gz CMLSMQMUJDIGBS-UHFFFAOYSA-N 0 0 384.502 0.460 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000547675771 1184289900 /nfs/dbraw/zinc/28/99/00/1184289900.db2.gz SXWJGCVXYQZITM-IRXDYDNUSA-N 0 0 396.532 0.909 10 0 GCAERN CCN(CC)C(=O)CN1CCN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)CC1 ZINC000254966384 1184337979 /nfs/dbraw/zinc/33/79/79/1184337979.db2.gz VREHZZRHNTYFOU-MRXNPFEDSA-N 0 0 390.532 0.701 10 0 GCAERN O=C(NCCCO[C@H]1CCOC1)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000579861600 1184383896 /nfs/dbraw/zinc/38/38/96/1184383896.db2.gz ZRKWHHVGGLKBAH-SFHVURJKSA-N 0 0 386.452 0.859 10 0 GCAERN CC[C@@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)CCN1CC(F)F ZINC000179464563 1184387199 /nfs/dbraw/zinc/38/71/99/1184387199.db2.gz REXLNDODZQTFPC-CQSZACIVSA-N 0 0 375.464 0.521 10 0 GCAERN c1n[nH]cc1-c1nnc(N2CCN(c3nccnn3)CC2)n1C[C@@H]1CCCO1 ZINC000625108166 1184415461 /nfs/dbraw/zinc/41/54/61/1184415461.db2.gz MSEZWSQCGVOZLU-AWEZNQCLSA-N 0 0 382.432 0.359 10 0 GCAERN COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(C)nn2-c2ccccc2C)CCO1 ZINC000535624845 1184464416 /nfs/dbraw/zinc/46/44/16/1184464416.db2.gz KWKRBCVLVMCOFZ-OAHLLOKOSA-N 0 0 386.408 0.828 10 0 GCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000255025914 1184464450 /nfs/dbraw/zinc/46/44/50/1184464450.db2.gz BUISMUWMTUPDBQ-ZBFHGGJFSA-N 0 0 375.473 0.538 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc(N(C)C)c(C)c3)CC2)[nH]1 ZINC000784955746 1184490314 /nfs/dbraw/zinc/49/03/14/1184490314.db2.gz JBIIIUGEZSYBBY-UHFFFAOYSA-N 0 0 385.472 0.770 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cc(CC(C)C)nn3C)CC2)[nH]1 ZINC000784955163 1184492592 /nfs/dbraw/zinc/49/25/92/1184492592.db2.gz CPHPYSPEKCRVEE-UHFFFAOYSA-N 0 0 388.476 0.328 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000047426735 1184497839 /nfs/dbraw/zinc/49/78/39/1184497839.db2.gz JYOVTKFIRLASMD-UHFFFAOYSA-N 0 0 380.404 0.744 10 0 GCAERN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)CC1 ZINC000275088391 1184503529 /nfs/dbraw/zinc/50/35/29/1184503529.db2.gz BOLKSFJXXXRCEL-AWEZNQCLSA-N 0 0 398.467 0.889 10 0 GCAERN COC(=O)c1ccc(CCNC(=O)NCCCN2CCCS2(=O)=O)cc1 ZINC000608793912 1184573577 /nfs/dbraw/zinc/57/35/77/1184573577.db2.gz RRZGYRKULQIOTA-UHFFFAOYSA-N 0 0 383.470 0.741 10 0 GCAERN COc1ccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)c(Cl)n1 ZINC000784958122 1184581160 /nfs/dbraw/zinc/58/11/60/1184581160.db2.gz WGGGFZPSNDSSMM-UHFFFAOYSA-N 0 0 393.835 0.453 10 0 GCAERN CS(=O)(=O)NCC1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000510206350 1184610845 /nfs/dbraw/zinc/61/08/45/1184610845.db2.gz IASIFLPUNGRLOC-UHFFFAOYSA-N 0 0 398.529 0.185 10 0 GCAERN Cn1ccnc1[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)nc2)CCN1C ZINC000275333477 1184612285 /nfs/dbraw/zinc/61/22/85/1184612285.db2.gz KJLUYQSRJILAPN-QGZVFWFLSA-N 0 0 399.499 0.850 10 0 GCAERN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCC(CNS(C)(=O)=O)CC1 ZINC000510231610 1184628712 /nfs/dbraw/zinc/62/87/12/1184628712.db2.gz YJEHMUADDJCPOO-CYBMUJFWSA-N 0 0 388.534 0.795 10 0 GCAERN C[C@H](CN1CCCC1=O)NC(=O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1 ZINC000275449595 1184673246 /nfs/dbraw/zinc/67/32/46/1184673246.db2.gz RBMMBXJSCURHNQ-UKRRQHHQSA-N 0 0 376.461 0.636 10 0 GCAERN Cc1ccc(C(=O)NCCNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1F ZINC000028001668 1184680160 /nfs/dbraw/zinc/68/01/60/1184680160.db2.gz DBQJHFGLMGNWMF-VOTSOKGWSA-N 0 0 388.399 0.091 10 0 GCAERN Cc1ccccc1CCNC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 ZINC000028729392 1184693083 /nfs/dbraw/zinc/69/30/83/1184693083.db2.gz YCNXHEFSXOIQDD-UHFFFAOYSA-N 0 0 388.512 0.130 10 0 GCAERN C[C@@H](CC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)NC(=O)C1CCCC1 ZINC000275541555 1184703076 /nfs/dbraw/zinc/70/30/76/1184703076.db2.gz FMEUYZQMPXWRHV-HOCLYGCPSA-N 0 0 389.500 0.950 10 0 GCAERN CC(C)[C@H](C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1)N1CCCS1(=O)=O ZINC000275561935 1184713334 /nfs/dbraw/zinc/71/33/34/1184713334.db2.gz DWYJVHCZDYPQDQ-DOTOQJQBSA-N 0 0 395.529 0.569 10 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ZINC000683502607 1184743447 /nfs/dbraw/zinc/74/34/47/1184743447.db2.gz ZYZZKTQSNCAYKE-UHFFFAOYSA-N 0 0 394.497 0.241 10 0 GCAERN Cn1ccc(N2CCC[C@H](NC(=O)N3CC[C@](O)(C(F)(F)F)C3)C2=O)n1 ZINC000176118339 1184759500 /nfs/dbraw/zinc/75/95/00/1184759500.db2.gz IBKBLOPRNBAMAZ-IINYFYTJSA-N 0 0 375.351 0.624 10 0 GCAERN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCN4C[C@H](O)C[C@H]4C3)ccc21 ZINC000655648593 1184765681 /nfs/dbraw/zinc/76/56/81/1184765681.db2.gz FLJXJVUVXXZULN-JKSUJKDBSA-N 0 0 379.482 0.425 10 0 GCAERN CN(C)c1nccc(N2CCN(S(=O)(=O)c3cccc4c3OCO4)CC2)n1 ZINC000510284995 1184781765 /nfs/dbraw/zinc/78/17/65/1184781765.db2.gz BRRXUGRCDFHUBB-UHFFFAOYSA-N 0 0 391.453 0.782 10 0 GCAERN CN(Cc1nc(CC(=O)N2CCS(=O)(=O)CC2)no1)c1ccc(Cl)cn1 ZINC000683595981 1184801579 /nfs/dbraw/zinc/80/15/79/1184801579.db2.gz AAQBSKJMFSGSEB-UHFFFAOYSA-N 0 0 399.860 0.554 10 0 GCAERN C[C@@H]1CN(c2ccnc(C(=O)NCCCN3CCCS3(=O)=O)c2)C[C@@H](C)O1 ZINC000683618227 1184818624 /nfs/dbraw/zinc/81/86/24/1184818624.db2.gz 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Cn1cc(/C=C\C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c(=O)n(C)c1=O ZINC000255137587 1184905383 /nfs/dbraw/zinc/90/53/83/1184905383.db2.gz WNCXNLVCDAMDMH-FMFIFOJESA-N 0 0 390.390 0.771 10 0 GCAERN Cc1nc2ccnn2c(C)c1C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275730987 1184989164 /nfs/dbraw/zinc/98/91/64/1184989164.db2.gz PCBVJYIGRQSAOX-AWEZNQCLSA-N 0 0 381.440 0.839 10 0 GCAERN CCN(CCNC(=O)c1cn2cccnc2n1)C(=O)c1cn2cccnc2n1 ZINC000548049568 1185026254 /nfs/dbraw/zinc/02/62/54/1185026254.db2.gz UHTGXQQFBGYCLO-UHFFFAOYSA-N 0 0 378.396 0.664 10 0 GCAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)Cn1cc(S(N)(=O)=O)cn1)CCCC2 ZINC000580056441 1185038765 /nfs/dbraw/zinc/03/87/65/1185038765.db2.gz FSMZCWUYCUJSST-OAHLLOKOSA-N 0 0 392.485 0.507 10 0 GCAERN COc1ccc(NC(=O)CN2CCOCC2=O)cc1S(=O)(=O)N1CCCC1 ZINC000548064187 1185073393 /nfs/dbraw/zinc/07/33/93/1185073393.db2.gz QIHIJMOZKQKIIP-UHFFFAOYSA-N 0 0 397.453 0.277 10 0 GCAERN O=C(NC[C@H](CO)[C@@H]1CCOC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000580266097 1185135386 /nfs/dbraw/zinc/13/53/86/1185135386.db2.gz DCOCBFVXQFAZBR-IAGOWNOFSA-N 0 0 396.509 0.849 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)c1ccccc1 ZINC000627540514 1185151633 /nfs/dbraw/zinc/15/16/33/1185151633.db2.gz KROFAIWMLYBPLS-AWEZNQCLSA-N 0 0 376.457 0.529 10 0 GCAERN Cn1cc(/C=C/C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c(=O)n(C)c1=O ZINC000048957217 1185166121 /nfs/dbraw/zinc/16/61/21/1185166121.db2.gz BDVZNMCSKAMAIZ-SXSDINLZSA-N 0 0 396.447 0.577 10 0 GCAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000066604340 1185170565 /nfs/dbraw/zinc/17/05/65/1185170565.db2.gz SDMCCGGZLWDQGU-HUUCEWRRSA-N 0 0 383.514 0.785 10 0 GCAERN COC(=O)/C(C)=C\COC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000748161752 1185176079 /nfs/dbraw/zinc/17/60/79/1185176079.db2.gz VNUOGGUXAZDGOC-XFXZXTDPSA-N 0 0 398.437 0.928 10 0 GCAERN CCn1cc(C(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cn1 ZINC000129647192 1185193424 /nfs/dbraw/zinc/19/34/24/1185193424.db2.gz PRAGVYJPIMRVOI-CQSZACIVSA-N 0 0 375.473 0.677 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(F)ccc1N1CCOCC1 ZINC000580387168 1185215388 /nfs/dbraw/zinc/21/53/88/1185215388.db2.gz SDSRJYDELUKKCW-QWHCGFSZSA-N 0 0 395.431 0.848 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(F)ccc1N1CCOCC1 ZINC000580387167 1185215461 /nfs/dbraw/zinc/21/54/61/1185215461.db2.gz SDSRJYDELUKKCW-OLZOCXBDSA-N 0 0 395.431 0.848 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nnn(Cc2ccncc2)c1C ZINC000580415167 1185225736 /nfs/dbraw/zinc/22/57/36/1185225736.db2.gz FTEGBJFDSWRBGA-VXGBXAGGSA-N 0 0 388.428 0.216 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)n(-c2ccccc2C)n1 ZINC000535640825 1185241230 /nfs/dbraw/zinc/24/12/30/1185241230.db2.gz VVGZMFWWUPEGLX-UHFFFAOYSA-N 0 0 376.438 0.685 10 0 GCAERN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000580588478 1185282869 /nfs/dbraw/zinc/28/28/69/1185282869.db2.gz LIOWHNWNURONGL-GJZGRUSLSA-N 0 0 391.468 0.784 10 0 GCAERN C[C@H]1c2nncn2CCN1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000580610651 1185288478 /nfs/dbraw/zinc/28/84/78/1185288478.db2.gz SXTICWQXHWEEAP-AWEZNQCLSA-N 0 0 375.477 0.309 10 0 GCAERN CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cc(C)nn2-c2ccccc2C)CCO1 ZINC000535641734 1185295768 /nfs/dbraw/zinc/29/57/68/1185295768.db2.gz SAGUUHMITAGQRW-INIZCTEOSA-N 0 0 399.451 0.791 10 0 GCAERN CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)nn2-c2ccccc2C)CCO1 ZINC000535641735 1185296078 /nfs/dbraw/zinc/29/60/78/1185296078.db2.gz SAGUUHMITAGQRW-MRXNPFEDSA-N 0 0 399.451 0.791 10 0 GCAERN CC(C)(CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)NS(C)(=O)=O ZINC000684010427 1185298468 /nfs/dbraw/zinc/29/84/68/1185298468.db2.gz HNJDLCZMYIUATN-UHFFFAOYSA-N 0 0 386.474 0.889 10 0 GCAERN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)CC3(CO)CC3)CC2)cc1 ZINC000275955445 1185339225 /nfs/dbraw/zinc/33/92/25/1185339225.db2.gz ZDQLDLCPQFDBKJ-UHFFFAOYSA-N 0 0 395.525 0.532 10 0 GCAERN O=C(CSc1ccc2c(c1)OCCO2)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000580754104 1185344147 /nfs/dbraw/zinc/34/41/47/1185344147.db2.gz 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Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)/C=C\C(C)C)CC1 ZINC000785033900 1185496785 /nfs/dbraw/zinc/49/67/85/1185496785.db2.gz CMWQHSWKXWRUMA-WAYWQWQTSA-N 0 0 399.469 0.880 10 0 GCAERN COC(=O)[C@H]1CN(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CCO1 ZINC000610478212 1185497655 /nfs/dbraw/zinc/49/76/55/1185497655.db2.gz QWARGXVSZOEUSV-CQSZACIVSA-N 0 0 379.417 0.348 10 0 GCAERN CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccccc1 ZINC000581179005 1185524463 /nfs/dbraw/zinc/52/44/63/1185524463.db2.gz JJDTVDMBYVEMTB-UHFFFAOYSA-N 0 0 379.486 0.945 10 0 GCAERN COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000581226086 1185541463 /nfs/dbraw/zinc/54/14/63/1185541463.db2.gz XAPBXHREQSWFOH-MRXNPFEDSA-N 0 0 396.465 0.503 10 0 GCAERN CN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)C1 ZINC000276077819 1185550257 /nfs/dbraw/zinc/55/02/57/1185550257.db2.gz VDGWOQOUJNBNCU-LBTNJELSSA-N 0 0 375.498 0.963 10 0 GCAERN CN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000276082142 1185555247 /nfs/dbraw/zinc/55/52/47/1185555247.db2.gz VJYDRFMQKOBIEJ-QWHCGFSZSA-N 0 0 385.390 0.920 10 0 GCAERN CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)C12CCOCC2 ZINC000581278662 1185568366 /nfs/dbraw/zinc/56/83/66/1185568366.db2.gz VTYSALDDUXPTOK-GVDBMIGSSA-N 0 0 379.501 0.774 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)NCc1ccccc1N1CCOCC1 ZINC000581298798 1185573945 /nfs/dbraw/zinc/57/39/45/1185573945.db2.gz VNXWNYJPTKNCPG-UHFFFAOYSA-N 0 0 394.435 0.499 10 0 GCAERN Cn1c(=O)ccc2ccc(NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)cc21 ZINC000581344767 1185604752 /nfs/dbraw/zinc/60/47/52/1185604752.db2.gz GTCCEDVHQNKDGN-INIZCTEOSA-N 0 0 398.463 0.658 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)[C@@H](C)C1 ZINC000276147456 1185612312 /nfs/dbraw/zinc/61/23/12/1185612312.db2.gz JOSPSUDNXFLUMH-LBPRGKRZSA-N 0 0 381.454 0.416 10 0 GCAERN COC(=O)c1sc2[nH]c(CN3CCN(C4CC4)C(=O)C3)nc(=O)c2c1C ZINC000610504687 1185670738 /nfs/dbraw/zinc/67/07/38/1185670738.db2.gz IJUAIMCJUYWSPY-UHFFFAOYSA-N 0 0 376.438 0.886 10 0 GCAERN C[C@H](C(=O)NCCc1cccs1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000071805353 1185686553 /nfs/dbraw/zinc/68/65/53/1185686553.db2.gz HTEZYFHUSROWFL-MRXNPFEDSA-N 0 0 394.541 0.272 10 0 GCAERN C[C@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000581447395 1185697434 /nfs/dbraw/zinc/69/74/34/1185697434.db2.gz QIIGDQSXFJNVSZ-YJBOKZPZSA-N 0 0 385.468 0.442 10 0 GCAERN O=C(N[C@@H]1CCOC2(CCC2)C1)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000581514876 1185735126 /nfs/dbraw/zinc/73/51/26/1185735126.db2.gz MXKFGGPBTUWPEU-IAGOWNOFSA-N 0 0 379.501 0.918 10 0 GCAERN CC(=O)N(C)CC(=O)OCC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000051052976 1185745265 /nfs/dbraw/zinc/74/52/65/1185745265.db2.gz HGOUPIUEWNBMEI-UHFFFAOYSA-N 0 0 391.472 0.579 10 0 GCAERN CC(C)Cc1ncc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)cn1 ZINC000684300114 1185750539 /nfs/dbraw/zinc/75/05/39/1185750539.db2.gz XLUCHNROOYDQBS-UHFFFAOYSA-N 0 0 383.474 0.155 10 0 GCAERN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cnn(CC(=O)N(C)C)c1)C2=O ZINC000066385519 1185753058 /nfs/dbraw/zinc/75/30/58/1185753058.db2.gz RZPWOMBNEZNBPO-UHFFFAOYSA-N 0 0 390.444 0.411 10 0 GCAERN CCN(C(=O)NCc1cccc(N2CCOCC2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000548189250 1185755758 /nfs/dbraw/zinc/75/57/58/1185755758.db2.gz NFRXPKYRVIUZTC-OAHLLOKOSA-N 0 0 382.486 0.637 10 0 GCAERN CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N2CC(C)(F)C2)CC1 ZINC000684306033 1185756936 /nfs/dbraw/zinc/75/69/36/1185756936.db2.gz UFUBSFDZSUYPBO-UHFFFAOYSA-N 0 0 376.432 0.860 10 0 GCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)NCc3cn4ccsc4n3)C2)c1=O ZINC000276352594 1185757666 /nfs/dbraw/zinc/75/76/66/1185757666.db2.gz HVHROQPSEMGXGR-GFCCVEGCSA-N 0 0 387.469 0.958 10 0 GCAERN O=C(NCc1cn2ccccc2n1)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000581614008 1185786508 /nfs/dbraw/zinc/78/65/08/1185786508.db2.gz IZFRDRBGYGPIBT-UHFFFAOYSA-N 0 0 379.424 0.479 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000625601686 1185795925 /nfs/dbraw/zinc/79/59/25/1185795925.db2.gz SUSMUAJVUXZWPO-UHFFFAOYSA-N 0 0 382.505 0.561 10 0 GCAERN Cc1nn2cc(CCCOC(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)cnc2c1C ZINC000255333192 1185796789 /nfs/dbraw/zinc/79/67/89/1185796789.db2.gz AWAQKPPDNFPDDC-FPLPWBNLSA-N 0 0 397.435 0.933 10 0 GCAERN CN(CCO)S(=O)(=O)c1ccccc1CN1C(=O)CN(C2CCC2)C1=O ZINC000581644360 1185807772 /nfs/dbraw/zinc/80/77/72/1185807772.db2.gz BGHNJKADBKLMCH-UHFFFAOYSA-N 0 0 381.454 0.616 10 0 GCAERN COC(=O)[C@@H]1CN(C(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)CCO1 ZINC000610521316 1185810405 /nfs/dbraw/zinc/81/04/05/1185810405.db2.gz WJSQUEDGAWUYJZ-AWEZNQCLSA-N 0 0 392.456 0.480 10 0 GCAERN O=C(COc1ccccc1)N1CC[C@@H](NC(=O)N2CCC(OCCO)CC2)C1 ZINC000558975600 1185857070 /nfs/dbraw/zinc/85/70/70/1185857070.db2.gz XJEJXJSYZUHKMN-MRXNPFEDSA-N 0 0 391.468 0.849 10 0 GCAERN CO[C@@H]1CC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000471682048 1185863617 /nfs/dbraw/zinc/86/36/17/1185863617.db2.gz DFHOWQOLZVHGNH-LSDHHAIUSA-N 0 0 383.470 0.949 10 0 GCAERN O=C(NCc1nnc2n1CCCC2)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000581733271 1185871162 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CN(C)C(=O)C1(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)CC1 ZINC000548412184 1186074445 /nfs/dbraw/zinc/07/44/45/1186074445.db2.gz UJYJINUDCLIQAR-UHFFFAOYSA-N 0 0 384.480 0.588 10 0 GCAERN C[NH+](C)CCN1CCN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000728404760 1186116937 /nfs/dbraw/zinc/11/69/37/1186116937.db2.gz PCRGXNBYLZCFTR-UHFFFAOYSA-N 0 0 389.525 0.781 10 0 GCAERN Cn1c(C(=O)N2CCN(CCS(N)(=O)=O)CC2)ccc1-c1ccccc1 ZINC000176064250 1186150241 /nfs/dbraw/zinc/15/02/41/1186150241.db2.gz CGQHBRZQESBDFD-UHFFFAOYSA-N 0 0 376.482 0.738 10 0 GCAERN C[C@@H]1CN(c2ccc(NC(=O)N[C@@H]3CCCN(CCO)C3=O)cn2)C[C@@H](C)O1 ZINC000581996108 1186172271 /nfs/dbraw/zinc/17/22/71/1186172271.db2.gz BTNFDUKTXVGESZ-IIAWOOMASA-N 0 0 391.472 0.800 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)C1 ZINC000610765379 1186177140 /nfs/dbraw/zinc/17/71/40/1186177140.db2.gz JPEBPUSHJJGLJI-NSHDSACASA-N 0 0 396.831 0.985 10 0 GCAERN Cc1cc(C)n(CC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)n1 ZINC000510958181 1186192034 /nfs/dbraw/zinc/19/20/34/1186192034.db2.gz AEQWUXFTDZBAHB-UHFFFAOYSA-N 0 0 380.470 0.429 10 0 GCAERN CCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)CC1 ZINC000535715702 1186201826 /nfs/dbraw/zinc/20/18/26/1186201826.db2.gz CKVBNFAPKXPBAB-UHFFFAOYSA-N 0 0 385.472 0.481 10 0 GCAERN O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NC[C@H](O)Cn1ccnn1 ZINC000458123015 1186203330 /nfs/dbraw/zinc/20/33/30/1186203330.db2.gz IGOMYIYPCZSMOZ-DZPQGLOJSA-N 0 0 390.488 0.413 10 0 GCAERN O=C(NC[C@@H](O)Cn1ccnn1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000458127648 1186204378 /nfs/dbraw/zinc/20/43/78/1186204378.db2.gz CUZRLWFAQRUIHL-SNVBAGLBSA-N 0 0 381.318 0.669 10 0 GCAERN O=C(NC[C@H](O)Cn1ccnn1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000458127011 1186204648 /nfs/dbraw/zinc/20/46/48/1186204648.db2.gz CONDUBCIQUEOPL-LBPRGKRZSA-N 0 0 381.318 0.669 10 0 GCAERN CCOc1ccccc1C(=O)N[C@@H](C(=O)NC[C@@H](O)Cn1ccnn1)C(C)C ZINC000458118469 1186204833 /nfs/dbraw/zinc/20/48/33/1186204833.db2.gz BQPYEDQMUDGZPZ-RHSMWYFYSA-N 0 0 389.456 0.609 10 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COCCNC(=O)C1CCN(C(=O)C(=O)Nc2cn(C)nc2C(C)C)CC1 ZINC000684630910 1186271438 /nfs/dbraw/zinc/27/14/38/1186271438.db2.gz CKXBSZKCGYCKQH-UHFFFAOYSA-N 0 0 379.461 0.483 10 0 GCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000684634692 1186276899 /nfs/dbraw/zinc/27/68/99/1186276899.db2.gz MDSCXGFSLBMVOI-UHFFFAOYSA-N 0 0 397.432 0.585 10 0 GCAERN Cn1cc(N2CCC[C@H](NC(=O)CCNS(=O)(=O)c3ccccc3)C2)cn1 ZINC000151556146 1186292503 /nfs/dbraw/zinc/29/25/03/1186292503.db2.gz MYDGARICORSADV-HNNXBMFYSA-N 0 0 391.497 0.874 10 0 GCAERN CC1(C)CN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C[C@@]2(CCOC2)O1 ZINC000684650392 1186299194 /nfs/dbraw/zinc/29/91/94/1186299194.db2.gz LDWQAQFIEFEXJQ-HNAYVOBHSA-N 0 0 392.456 0.797 10 0 GCAERN C[C@@H]1Oc2ccc(C(=O)COC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc2NC1=O ZINC000785104938 1186322514 /nfs/dbraw/zinc/32/25/14/1186322514.db2.gz BYQRZGFZSFVBMW-GWCFXTLKSA-N 0 0 396.421 0.556 10 0 GCAERN CCN(CCS(C)(=O)=O)C(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000785109874 1186344103 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ZINC000582132988 1186430093 /nfs/dbraw/zinc/43/00/93/1186430093.db2.gz FOFVMSDQIWRVIF-ACJLOTCBSA-N 0 0 382.482 0.404 10 0 GCAERN CC(=O)N1CCC(CNC(=O)C(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000561311467 1186431672 /nfs/dbraw/zinc/43/16/72/1186431672.db2.gz JQYJVJULAFGAOQ-MRXNPFEDSA-N 0 0 395.500 0.941 10 0 GCAERN O=C(NCc1cnn(Cc2ccccc2)c1)C(=O)NCc1nnc2ccccn21 ZINC000582135362 1186432129 /nfs/dbraw/zinc/43/21/29/1186432129.db2.gz SXFPLGQEBGIXTO-UHFFFAOYSA-N 0 0 389.419 0.907 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000548716421 1186480927 /nfs/dbraw/zinc/48/09/27/1186480927.db2.gz ORHOBSQDIZIWFE-QGZVFWFLSA-N 0 0 382.482 0.559 10 0 GCAERN CN(C[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)OCO3)C1)S(C)(=O)=O ZINC000511095485 1186481614 /nfs/dbraw/zinc/48/16/14/1186481614.db2.gz KFXRPVPBFBSCBN-ZDUSSCGKSA-N 0 0 383.470 0.957 10 0 GCAERN C=CCNC(=O)NC(=O)COC(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000051553698 1186481704 /nfs/dbraw/zinc/48/17/04/1186481704.db2.gz 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/nfs/dbraw/zinc/18/09/17/1194180917.db2.gz DOWNGSIRDBMEKT-ABAIWWIYSA-N 0 0 399.444 0.801 10 0 GCAERN CNC(=O)[C@@H]1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000420720772 1194258223 /nfs/dbraw/zinc/25/82/23/1194258223.db2.gz HLZMMFFJYRBWGP-GFCCVEGCSA-N 0 0 379.438 0.070 10 0 GCAERN CNC(=O)[C@H]1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000420720775 1194258231 /nfs/dbraw/zinc/25/82/31/1194258231.db2.gz HLZMMFFJYRBWGP-LBPRGKRZSA-N 0 0 379.438 0.070 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC3(CO)CC3)CC2)c1 ZINC000502566308 1194334712 /nfs/dbraw/zinc/33/47/12/1194334712.db2.gz QBLCXLXAEWUOOW-UHFFFAOYSA-N 0 0 380.466 0.931 10 0 GCAERN COc1cccc(C(=O)N2CCN(CCn3nc4ccccn4c3=O)CC2)c1 ZINC000026927423 1194368400 /nfs/dbraw/zinc/36/84/00/1194368400.db2.gz GHEGJVDHHNGFQW-UHFFFAOYSA-N 0 0 381.436 0.963 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)cn1C ZINC000272767447 1194499509 /nfs/dbraw/zinc/49/95/09/1194499509.db2.gz DRIJFQPYGSMNNY-GFCCVEGCSA-N 0 0 392.485 0.879 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000422550422 1194668645 /nfs/dbraw/zinc/66/86/45/1194668645.db2.gz AVBPKNLHNKDWFK-CJNGLKHVSA-N 0 0 376.432 0.600 10 0 GCAERN O=S(=O)(c1cnn(C2CCOCC2)c1)N1CCNC[C@H]1c1cccnc1 ZINC000261893341 1194793574 /nfs/dbraw/zinc/79/35/74/1194793574.db2.gz VSVVWXFULHEQDX-KRWDZBQOSA-N 0 0 377.470 0.965 10 0 GCAERN CC(=O)N(Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)cc1)C1CC1 ZINC000504414112 1194793941 /nfs/dbraw/zinc/79/39/41/1194793941.db2.gz PHRZMLXKQHSXQU-UHFFFAOYSA-N 0 0 398.463 0.969 10 0 GCAERN CS(=O)(=O)NCC1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000504439463 1194794331 /nfs/dbraw/zinc/79/43/31/1194794331.db2.gz WSSQGDJYTHCPQN-HNNXBMFYSA-N 0 0 383.445 0.719 10 0 GCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000261896599 1194800591 /nfs/dbraw/zinc/80/05/91/1194800591.db2.gz GDPMMKSBYHANMN-HNNXBMFYSA-N 0 0 382.424 0.312 10 0 GCAERN O=C(Nc1ccc(-c2cc[nH]n2)cc1)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000504615914 1194800966 /nfs/dbraw/zinc/80/09/66/1194800966.db2.gz VHOZMXWDTXSOKA-KRWDZBQOSA-N 0 0 397.435 0.911 10 0 GCAERN CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nc(C)no3)CC2)c1 ZINC000504785800 1194805961 /nfs/dbraw/zinc/80/59/61/1194805961.db2.gz LRMDJTPWMYTVDB-UHFFFAOYSA-N 0 0 393.469 0.634 10 0 GCAERN Cc1noc(CN2CCN(C(=O)[C@H](C)Sc3nnnn3C3CC3)CC2)n1 ZINC000504824253 1194807910 /nfs/dbraw/zinc/80/79/10/1194807910.db2.gz GFICQZBKWRNWCQ-JTQLQIEISA-N 0 0 378.462 0.524 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)n(-c2ccccc2C)n1 ZINC000504850377 1194808273 /nfs/dbraw/zinc/80/82/73/1194808273.db2.gz CFLLBXQRNKYUEI-UHFFFAOYSA-N 0 0 385.424 0.091 10 0 GCAERN CN(Cc1nnnn1C)C(=O)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000505053023 1194826308 /nfs/dbraw/zinc/82/63/08/1194826308.db2.gz AYJYPTRXXYHUHV-UHFFFAOYSA-N 0 0 394.439 0.945 10 0 GCAERN CN(Cc1nnnn1C)C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000505194552 1194830236 /nfs/dbraw/zinc/83/02/36/1194830236.db2.gz BNPVORWIUDXOON-GFCCVEGCSA-N 0 0 392.847 0.749 10 0 GCAERN CNS(=O)(=O)N1CCC(C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1 ZINC000505223784 1194830969 /nfs/dbraw/zinc/83/09/69/1194830969.db2.gz LBBCTROSNLRBHJ-UHFFFAOYSA-N 0 0 391.497 0.724 10 0 GCAERN CCS(=O)(=O)NCCNC(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000505344522 1194834888 /nfs/dbraw/zinc/83/48/88/1194834888.db2.gz PLJXUKDALHSPSW-UHFFFAOYSA-N 0 0 381.454 0.508 10 0 GCAERN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N[C@H](CO)CC1CCCC1 ZINC000513942894 1194842187 /nfs/dbraw/zinc/84/21/87/1194842187.db2.gz UXRSPQVPPAMSCJ-HNNXBMFYSA-N 0 0 398.471 0.922 10 0 GCAERN CC(=O)NCCN(Cc1ccsc1)C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000513990358 1194843694 /nfs/dbraw/zinc/84/36/94/1194843694.db2.gz VDZXFPKWNALHMI-SFHVURJKSA-N 0 0 377.466 0.826 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)Nc2ccc(N(C)C)nc2)c1C ZINC000434436853 1194845585 /nfs/dbraw/zinc/84/55/85/1194845585.db2.gz LUVSPHJJKFHCHT-UHFFFAOYSA-N 0 0 391.453 0.941 10 0 GCAERN COC(=O)[C@H](CNC(=O)C(=O)Nc1ncn(C(C)(C)C)n1)c1ccc(F)cc1 ZINC000434588874 1194852596 /nfs/dbraw/zinc/85/25/96/1194852596.db2.gz VXWSVWJIFVSAFM-CYBMUJFWSA-N 0 0 391.403 1.184 10 0 GCAERN CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)CCO1 ZINC000434579537 1194853162 /nfs/dbraw/zinc/85/31/62/1194853162.db2.gz AWCQCQDTUNMXSV-ZDUSSCGKSA-N 0 0 378.429 0.808 10 0 GCAERN COc1c(F)cc(CC(=O)N2CCC[C@@H](OCCO)C2)cc1S(N)(=O)=O ZINC000434641657 1194856549 /nfs/dbraw/zinc/85/65/49/1194856549.db2.gz XNOCSVLIOVTPAO-GFCCVEGCSA-N 0 0 390.433 0.024 10 0 GCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@](C)(O)Cn3c(C)cccc3=O)C2)n(C)n1 ZINC000281135826 1194859873 /nfs/dbraw/zinc/85/98/73/1194859873.db2.gz HFCIUGMZGAHGAQ-OXQOHEQNSA-N 0 0 387.484 0.735 10 0 GCAERN C[C@@H](CN1CCOCC1)N(C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000434712842 1194861383 /nfs/dbraw/zinc/86/13/83/1194861383.db2.gz DUDOGVWCAVWGLI-ZDUSSCGKSA-N 0 0 387.477 0.820 10 0 GCAERN CC1(c2cc(NC(=O)C(=O)NCCNC(=O)c3cccnc3)no2)CCCC1 ZINC000434727059 1194864349 /nfs/dbraw/zinc/86/43/49/1194864349.db2.gz QABWTBAGOILDLH-UHFFFAOYSA-N 0 0 385.424 1.386 10 0 GCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)NCC3(C(N)=O)CCOCC3)sc2C1 ZINC000434783621 1194869491 /nfs/dbraw/zinc/86/94/91/1194869491.db2.gz JTXSWONZRFRZBY-SNVBAGLBSA-N 0 0 380.470 0.605 10 0 GCAERN COc1cc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)cc(OC)c1OC ZINC000434792280 1194870429 /nfs/dbraw/zinc/87/04/29/1194870429.db2.gz GMDSJOMTEFYMFR-SFHVURJKSA-N 0 0 392.412 0.325 10 0 GCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)N3CCN(C(C)(C)C(N)=O)CC3)sc2C1 ZINC000434828091 1194871798 /nfs/dbraw/zinc/87/17/98/1194871798.db2.gz MHPOHOARERKXGG-LLVKDONJSA-N 0 0 393.513 0.615 10 0 GCAERN CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C1=O ZINC000434815422 1194871945 /nfs/dbraw/zinc/87/19/45/1194871945.db2.gz RDANLRRQIYIIHV-NSHDSACASA-N 0 0 376.413 1.097 10 0 GCAERN COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000434815986 1194872027 /nfs/dbraw/zinc/87/20/27/1194872027.db2.gz DBJIZQCXXTVHPB-HZMBPMFUSA-N 0 0 395.481 0.979 10 0 GCAERN CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2nc3c(s2)C[C@H](C)CC3)C1=O ZINC000434819579 1194872488 /nfs/dbraw/zinc/87/24/88/1194872488.db2.gz YSFPHBKFHQYKMQ-KOLCDFICSA-N 0 0 378.454 0.859 10 0 GCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc([C@@H]3CCCO3)nn2C)C1 ZINC000434842847 1194872590 /nfs/dbraw/zinc/87/25/90/1194872590.db2.gz MJKRRUDSPBAWSN-JSGCOSHPSA-N 0 0 377.445 0.727 10 0 GCAERN C[C@H](CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)CN1CCOCC1 ZINC000434922208 1194877010 /nfs/dbraw/zinc/87/70/10/1194877010.db2.gz ABKHDGYMYVLKRY-CQSZACIVSA-N 0 0 378.473 1.529 10 0 GCAERN C[C@H]1CCc2nc(NC(=O)C(=O)N3CCc4nn(C)c(=O)cc4C3)sc2C1 ZINC000434916609 1194877532 /nfs/dbraw/zinc/87/75/32/1194877532.db2.gz QFVJATXQWYFXJS-JTQLQIEISA-N 0 0 387.465 0.885 10 0 GCAERN CCN(C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)[C@@H]1CCS(=O)(=O)C1 ZINC000434999533 1194881381 /nfs/dbraw/zinc/88/13/81/1194881381.db2.gz HYWAWDUXKJSXKK-GFCCVEGCSA-N 0 0 383.470 1.480 10 0 GCAERN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435047682 1194885048 /nfs/dbraw/zinc/88/50/48/1194885048.db2.gz CCDTXHRIWKUJNR-AWEZNQCLSA-N 0 0 394.472 0.596 10 0 GCAERN CN(C)c1nccc(N2CCN(CC(=O)NCC(=O)c3ccccc3)CC2)n1 ZINC000435053909 1194885332 /nfs/dbraw/zinc/88/53/32/1194885332.db2.gz XUPLIUPQVLOCML-UHFFFAOYSA-N 0 0 382.468 0.664 10 0 GCAERN CCc1nc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)sc1C ZINC000435053749 1194885358 /nfs/dbraw/zinc/88/53/58/1194885358.db2.gz VRLDFWZDOHWOKP-UHFFFAOYSA-N 0 0 377.474 0.723 10 0 GCAERN O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)N(CCO)CCCO ZINC000435117849 1194890984 /nfs/dbraw/zinc/89/09/84/1194890984.db2.gz VZGXTDYWRLZEHV-HNNXBMFYSA-N 0 0 386.470 0.848 10 0 GCAERN COc1cccc(CCNC(=O)N2CC[C@H](N(C)Cc3nccc(N)n3)C2)n1 ZINC000435121261 1194891887 /nfs/dbraw/zinc/89/18/87/1194891887.db2.gz WHKRKSSTYONTEQ-HNNXBMFYSA-N 0 0 385.472 0.921 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000435308343 1194915650 /nfs/dbraw/zinc/91/56/50/1194915650.db2.gz UQSIABOZAFLMDC-UWVGGRQHSA-N 0 0 399.831 0.860 10 0 GCAERN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000514817972 1194917569 /nfs/dbraw/zinc/91/75/69/1194917569.db2.gz LMZRDFIHOPFNMP-CIICLBFASA-N 0 0 379.482 0.830 10 0 GCAERN Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CC[C@@H]4OCCN(C)[C@@H]4C3)n12 ZINC000284908374 1194971469 /nfs/dbraw/zinc/97/14/69/1194971469.db2.gz VDYJSNFEBSCHIF-SJORKVTESA-N 0 0 382.468 0.795 10 0 GCAERN Cc1ncc(C[S@](=O)CC(=O)NCCOc2ccc3c(c2)OCO3)cn1 ZINC000505727021 1194975199 /nfs/dbraw/zinc/97/51/99/1194975199.db2.gz ODGAVEACSMRRNT-SANMLTNESA-N 0 0 377.422 0.958 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](CO)c1ccccc1OC ZINC000515503517 1194980419 /nfs/dbraw/zinc/98/04/19/1194980419.db2.gz MFTGPDSPMCOWQO-OBJOEFQTSA-N 0 0 381.429 0.484 10 0 GCAERN Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000515692489 1194991587 /nfs/dbraw/zinc/99/15/87/1194991587.db2.gz KMXMLXIJHMTHRT-KBXCAEBGSA-N 0 0 378.429 0.618 10 0 GCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CCC[C@@H](OCCO)C1 ZINC000436260688 1194994086 /nfs/dbraw/zinc/99/40/86/1194994086.db2.gz IBCMQJWDDGQZFE-QGZVFWFLSA-N 0 0 382.505 0.114 10 0 GCAERN C[C@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)c1cccc(S(N)(=O)=O)c1 ZINC000436372709 1194999811 /nfs/dbraw/zinc/99/98/11/1194999811.db2.gz RFUJHTJQXJWREB-SJCJKPOMSA-N 0 0 379.438 0.124 10 0 GCAERN CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCN(C(C)=O)C[C@H]2C)c1 ZINC000505804058 1195000038 /nfs/dbraw/zinc/00/00/38/1195000038.db2.gz YWNSUVSCWHFCRC-GFCCVEGCSA-N 0 0 375.429 0.247 10 0 GCAERN CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCN(C(C)=O)C[C@@H]2C)c1 ZINC000505804059 1195000300 /nfs/dbraw/zinc/00/03/00/1195000300.db2.gz YWNSUVSCWHFCRC-LBPRGKRZSA-N 0 0 375.429 0.247 10 0 GCAERN COC(=O)c1cncc(S(=O)(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000515966697 1195013127 /nfs/dbraw/zinc/01/31/27/1195013127.db2.gz KUBFOSDGXZJVHS-UHFFFAOYSA-N 0 0 377.426 0.559 10 0 GCAERN C1OCC12CCN(c1nc(N3CCC4(COC4)C3)nc(N3CCOCC3)n1)C2 ZINC000664571325 1195018433 /nfs/dbraw/zinc/01/84/33/1195018433.db2.gz YPZSHWWFALOPPB-UHFFFAOYSA-N 0 0 388.472 0.162 10 0 GCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)c1 ZINC000436776491 1195035298 /nfs/dbraw/zinc/03/52/98/1195035298.db2.gz JLEPKJRYFDKCJW-UHFFFAOYSA-N 0 0 398.419 0.860 10 0 GCAERN Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000516328374 1195042818 /nfs/dbraw/zinc/04/28/18/1195042818.db2.gz MLXZKGVKFHUGBB-CRAIPNDOSA-N 0 0 393.447 0.680 10 0 GCAERN C[C@H](NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1)C1=CC[N@H+](C)CC1 ZINC000516328669 1195042967 /nfs/dbraw/zinc/04/29/67/1195042967.db2.gz BRQYKMFIUGIAFL-HNNXBMFYSA-N 0 0 387.484 0.301 10 0 GCAERN CNC(=O)[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)Cc1ccc(F)cc1C ZINC000516471759 1195056085 /nfs/dbraw/zinc/05/60/85/1195056085.db2.gz ATSCBGJXJAKEAM-GFCCVEGCSA-N 0 0 376.388 0.268 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CN3CCN2CC3)cc1C ZINC000437029618 1195059710 /nfs/dbraw/zinc/05/97/10/1195059710.db2.gz ARVPUAHVLWVPIF-MRXNPFEDSA-N 0 0 380.514 0.040 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000516526043 1195063259 /nfs/dbraw/zinc/06/32/59/1195063259.db2.gz GBUUZKXAQQNWPJ-HZSPNIEDSA-N 0 0 381.473 0.740 10 0 GCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 ZINC000516552682 1195065868 /nfs/dbraw/zinc/06/58/68/1195065868.db2.gz BWNTUWWKSMKRRY-AWEZNQCLSA-N 0 0 394.478 0.826 10 0 GCAERN Cc1sc2ncn(CCC(=O)NC[C@@H]3CN4CCN3CC4)c(=O)c2c1C ZINC000437343531 1195101459 /nfs/dbraw/zinc/10/14/59/1195101459.db2.gz GMDQLDOULBJDMW-CQSZACIVSA-N 0 0 375.498 0.581 10 0 GCAERN COC[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(F)cc1 ZINC000437391711 1195103870 /nfs/dbraw/zinc/10/38/70/1195103870.db2.gz CLVLQGUNWKAHPE-BMFZPTHFSA-N 0 0 398.456 0.665 10 0 GCAERN COC[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(F)cc1 ZINC000437393085 1195105229 /nfs/dbraw/zinc/10/52/29/1195105229.db2.gz ZCPBGCMNJLRTCH-CYBMUJFWSA-N 0 0 389.387 0.077 10 0 GCAERN COC[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(F)cc1 ZINC000437396925 1195105852 /nfs/dbraw/zinc/10/58/52/1195105852.db2.gz YHKNEUUJUGIGFF-WMZOPIPTSA-N 0 0 393.459 0.810 10 0 GCAERN O=C(NC[C@@H](c1ccco1)N1CCCC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000549990436 1195110109 /nfs/dbraw/zinc/11/01/09/1195110109.db2.gz ATYULVLQCGUDPC-CVEARBPZSA-N 0 0 376.457 0.076 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)CN3CCS(=O)(=O)CC3)c2)n1 ZINC000506110611 1195144030 /nfs/dbraw/zinc/14/40/30/1195144030.db2.gz WBFRFIVZQUXJJN-UHFFFAOYSA-N 0 0 378.458 0.002 10 0 GCAERN CS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 ZINC000052983727 1195182847 /nfs/dbraw/zinc/18/28/47/1195182847.db2.gz VJJZBTVEEYPLPN-NSHDSACASA-N 0 0 387.408 0.422 10 0 GCAERN O=C(NCc1cn2ccccc2n1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000517572636 1195192119 /nfs/dbraw/zinc/19/21/19/1195192119.db2.gz IEUGCUMHTCZSLL-INIZCTEOSA-N 0 0 377.404 0.872 10 0 GCAERN Cc1ccc2[nH]c(CNC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)nc2c1 ZINC000517606516 1195198469 /nfs/dbraw/zinc/19/84/69/1195198469.db2.gz YLQYJNOZYCKVAH-LLVKDONJSA-N 0 0 397.357 0.767 10 0 GCAERN COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000438253683 1195200347 /nfs/dbraw/zinc/20/03/47/1195200347.db2.gz FGETZESUMKRHSR-INIZCTEOSA-N 0 0 390.440 0.393 10 0 GCAERN CCNC(=O)COc1cccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000473588087 1195202537 /nfs/dbraw/zinc/20/25/37/1195202537.db2.gz AXNYDRDFYXRODH-HNNXBMFYSA-N 0 0 378.429 0.306 10 0 GCAERN COC(=O)Cn1ccc(NC(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)n1 ZINC000438344973 1195208614 /nfs/dbraw/zinc/20/86/14/1195208614.db2.gz CUSWZTPRDKLKDV-UHFFFAOYSA-N 0 0 399.451 1.283 10 0 GCAERN CCNC(=O)COc1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000473589273 1195214709 /nfs/dbraw/zinc/21/47/09/1195214709.db2.gz FPHXLRIFUXKNEV-OAHLLOKOSA-N 0 0 378.429 0.306 10 0 GCAERN CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@](O)(CO)C3)cc2CC1 ZINC000517759959 1195215138 /nfs/dbraw/zinc/21/51/38/1195215138.db2.gz XLHBQYHQIXDOEQ-GOSISDBHSA-N 0 0 382.482 0.142 10 0 GCAERN CCOC(=O)COc1cccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000473589997 1195216925 /nfs/dbraw/zinc/21/69/25/1195216925.db2.gz AVYFTLPPVUVAIR-HNNXBMFYSA-N 0 0 379.413 0.733 10 0 GCAERN CN(C)C(=O)COc1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1 ZINC000473591945 1195225718 /nfs/dbraw/zinc/22/57/18/1195225718.db2.gz UPLMSAQZVHXFOA-HNNXBMFYSA-N 0 0 378.429 0.258 10 0 GCAERN C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000517974099 1195233652 /nfs/dbraw/zinc/23/36/52/1195233652.db2.gz VCFXJOPYEJEIBO-AWEZNQCLSA-N 0 0 392.481 0.439 10 0 GCAERN C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@@H](C)N1CCOCC1 ZINC000517984433 1195236124 /nfs/dbraw/zinc/23/61/24/1195236124.db2.gz OHZLMNZHJCDIMZ-HZPDHXFCSA-N 0 0 390.484 0.687 10 0 GCAERN COC(=O)c1cc(NC(=O)C(=O)N(C)Cc2cnccn2)c(OC)c(OC)c1 ZINC000438793037 1195250587 /nfs/dbraw/zinc/25/05/87/1195250587.db2.gz FSTROIODPSSQES-UHFFFAOYSA-N 0 0 388.380 0.878 10 0 GCAERN CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)Cc2cnccn2)cc1 ZINC000438801380 1195250612 /nfs/dbraw/zinc/25/06/12/1195250612.db2.gz RUTMYWYBVHKTFD-UHFFFAOYSA-N 0 0 391.453 0.762 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCC23CCOCC3)c1 ZINC000506407433 1195259744 /nfs/dbraw/zinc/25/97/44/1195259744.db2.gz JEJQOFCRRJGSJP-HNNXBMFYSA-N 0 0 395.481 0.999 10 0 GCAERN CCC(=O)N[C@@H]1CCCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)C1 ZINC000438908940 1195267042 /nfs/dbraw/zinc/26/70/42/1195267042.db2.gz BFLQWPISJGRXDD-GFCCVEGCSA-N 0 0 387.440 0.071 10 0 GCAERN CC(=O)N1CCN(c2cc(-c3noc(CCc4cn(C)nn4)n3)ccn2)CC1 ZINC000664758228 1195330011 /nfs/dbraw/zinc/33/00/11/1195330011.db2.gz HZDZTWGPIZFZFQ-UHFFFAOYSA-N 0 0 382.428 0.714 10 0 GCAERN CCCCNC(=O)CN1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506610870 1195331853 /nfs/dbraw/zinc/33/18/53/1195331853.db2.gz OQFVQIOYTUASSH-KRWDZBQOSA-N 0 0 390.532 0.758 10 0 GCAERN CC[C@H](O)CN1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000544294143 1195337836 /nfs/dbraw/zinc/33/78/36/1195337836.db2.gz UGBQMMRZVCLBKJ-SFHVURJKSA-N 0 0 395.548 0.029 10 0 GCAERN Cc1cc(N2CCC[C@@H](N3CCN(C[C@@H](O)COC(C)C)CC3)C2=O)n(C)n1 ZINC000506632535 1195337869 /nfs/dbraw/zinc/33/78/69/1195337869.db2.gz BXXIELGHWMWJQP-QZTJIDSGSA-N 0 0 393.532 0.627 10 0 GCAERN NC(=O)c1cccc(CCNC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)c1 ZINC000439726787 1195345237 /nfs/dbraw/zinc/34/52/37/1195345237.db2.gz BHHFKTXGGLMFRW-UHFFFAOYSA-N 0 0 380.404 0.820 10 0 GCAERN O=C(NCCNC(=O)c1cccs1)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439774483 1195348937 /nfs/dbraw/zinc/34/89/37/1195348937.db2.gz KMXKTTGEQLLBSZ-UHFFFAOYSA-N 0 0 386.433 0.970 10 0 GCAERN C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000518950814 1195349407 /nfs/dbraw/zinc/34/94/07/1195349407.db2.gz ABIZKINCLRPXBK-SJORKVTESA-N 0 0 394.516 0.074 10 0 GCAERN C[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000518950810 1195349514 /nfs/dbraw/zinc/34/95/14/1195349514.db2.gz ABIZKINCLRPXBK-DLBZAZTESA-N 0 0 394.516 0.074 10 0 GCAERN O=C(NCCNC(=O)c1cccnc1)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439776886 1195349754 /nfs/dbraw/zinc/34/97/54/1195349754.db2.gz VPIUWHSHGZQHGE-UHFFFAOYSA-N 0 0 381.392 0.303 10 0 GCAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)O1 ZINC000439824281 1195357426 /nfs/dbraw/zinc/35/74/26/1195357426.db2.gz GAFLEEIIXCVJMH-CABCVRRESA-N 0 0 388.424 0.114 10 0 GCAERN Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)C2=O)cn1 ZINC000440060904 1195381021 /nfs/dbraw/zinc/38/10/21/1195381021.db2.gz IDRQQXQBLNYAKA-OAHLLOKOSA-N 0 0 396.407 0.017 10 0 GCAERN O=C(NCc1cnn(-c2ccccc2)c1)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000519434277 1195407961 /nfs/dbraw/zinc/40/79/61/1195407961.db2.gz XUXBTFBZEHKFKP-FQEVSTJZSA-N 0 0 381.436 0.617 10 0 GCAERN CCN(CC(=O)NCc1cccs1)C(=O)CN1CCN(CCO)[C@H](C)C1 ZINC000187684234 1195420465 /nfs/dbraw/zinc/42/04/65/1195420465.db2.gz YCJHKHZSELMPQA-OAHLLOKOSA-N 0 0 382.530 0.211 10 0 GCAERN C[C@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CCN1CCO ZINC000187732308 1195421451 /nfs/dbraw/zinc/42/14/51/1195421451.db2.gz BSRODXQXBNBRQC-LBPRGKRZSA-N 0 0 379.852 0.253 10 0 GCAERN CO[C@H]1CC[C@@H](NC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000550050843 1195424816 /nfs/dbraw/zinc/42/48/16/1195424816.db2.gz GLUDKTKIYKUCBZ-OLZOCXBDSA-N 0 0 380.445 0.041 10 0 GCAERN CS(=O)(=O)NCC1CCN(C(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 ZINC000519533937 1195426324 /nfs/dbraw/zinc/42/63/24/1195426324.db2.gz WKEODPFUWJABIR-UHFFFAOYSA-N 0 0 398.485 0.734 10 0 GCAERN CN(C)C(=O)COc1cccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000473662760 1195434018 /nfs/dbraw/zinc/43/40/18/1195434018.db2.gz WCAWXLBOVCOBAY-HNNXBMFYSA-N 0 0 378.429 0.258 10 0 GCAERN O=C(Nc1ccc(CCN2CCOCC2)cc1)N[C@H]1CCCN(CCO)C1=O ZINC000473671853 1195436103 /nfs/dbraw/zinc/43/61/03/1195436103.db2.gz YGVNCUCMKDDIDH-SFHVURJKSA-N 0 0 390.484 0.666 10 0 GCAERN CNC(=O)CCOc1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000473678228 1195440548 /nfs/dbraw/zinc/44/05/48/1195440548.db2.gz RCVYQWMGEUUOHF-OAHLLOKOSA-N 0 0 378.429 0.306 10 0 GCAERN CCS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1 ZINC000473685849 1195441476 /nfs/dbraw/zinc/44/14/76/1195441476.db2.gz KGGYILKTGFKPEF-AWEZNQCLSA-N 0 0 384.458 0.553 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](COC)c2ccco2)c1 ZINC000473702487 1195445859 /nfs/dbraw/zinc/44/58/59/1195445859.db2.gz SSCPVLYGIWERGK-ZDUSSCGKSA-N 0 0 381.410 0.630 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000627904669 1195447236 /nfs/dbraw/zinc/44/72/36/1195447236.db2.gz JGAHQTGNCRLQRW-CYBMUJFWSA-N 0 0 376.461 0.299 10 0 GCAERN COC(=O)c1cc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c(OC)c(OC)c1 ZINC000473723589 1195450740 /nfs/dbraw/zinc/45/07/40/1195450740.db2.gz VLWANCZEIOGCAJ-GFCCVEGCSA-N 0 0 395.412 0.595 10 0 GCAERN Cc1ncc(CNC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)s1 ZINC000550193717 1195457134 /nfs/dbraw/zinc/45/71/34/1195457134.db2.gz IMZFMMIMRZPLRJ-UHFFFAOYSA-N 0 0 375.454 0.616 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000550185751 1195457719 /nfs/dbraw/zinc/45/77/19/1195457719.db2.gz XLUKIWKVFDIDJC-GFCCVEGCSA-N 0 0 399.842 0.789 10 0 GCAERN O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)N[C@H]1CCCN(CCO)C1=O ZINC000473777653 1195460862 /nfs/dbraw/zinc/46/08/62/1195460862.db2.gz WPROFVRQBTYVJW-INIZCTEOSA-N 0 0 395.423 0.920 10 0 GCAERN COc1cc2c(cc1NC(=O)N[C@@H]1CCCN(CCO)C1=O)NC(=O)CC2 ZINC000473779858 1195462134 /nfs/dbraw/zinc/46/21/34/1195462134.db2.gz RIEHNKNXFWYEQE-GFCCVEGCSA-N 0 0 376.413 0.685 10 0 GCAERN COc1ccc([C@@H](NC(=O)C(=O)NCCn2cccn2)c2nccn2C)cc1 ZINC000550242262 1195468290 /nfs/dbraw/zinc/46/82/90/1195468290.db2.gz RIGQOJVFAKCJDP-MRXNPFEDSA-N 0 0 382.424 0.647 10 0 GCAERN O=C(NCc1ccccc1Cn1cccn1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000550254219 1195469725 /nfs/dbraw/zinc/46/97/25/1195469725.db2.gz CBZWXGLMTVGTAK-OAQYLSRUSA-N 0 0 395.463 0.676 10 0 GCAERN COc1ccc([C@@H](NC(=O)C(=O)NC[C@H]2COCCO2)c2nccn2C)cc1 ZINC000550257987 1195470324 /nfs/dbraw/zinc/47/03/24/1195470324.db2.gz AJQHISXRISEMIW-JKSUJKDBSA-N 0 0 388.424 0.166 10 0 GCAERN COc1ccc([C@H](NC(=O)C(=O)NC[C@H]2COCCO2)c2nccn2C)cc1 ZINC000550257985 1195470344 /nfs/dbraw/zinc/47/03/44/1195470344.db2.gz AJQHISXRISEMIW-HOTGVXAUSA-N 0 0 388.424 0.166 10 0 GCAERN NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000550259776 1195471939 /nfs/dbraw/zinc/47/19/39/1195471939.db2.gz UZEKCRZCHFQIFJ-JTQLQIEISA-N 0 0 395.359 0.091 10 0 GCAERN Cc1ccc2[nH]c(CNC(=O)C(=O)NC[C@H](C(C)C)N3CCOCC3)nc2c1 ZINC000550277665 1195476465 /nfs/dbraw/zinc/47/64/65/1195476465.db2.gz CEUBRZSDXQSLNP-QGZVFWFLSA-N 0 0 387.484 0.961 10 0 GCAERN COC1(C)CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C1 ZINC000440491283 1195507061 /nfs/dbraw/zinc/50/70/61/1195507061.db2.gz GUTIVRZSDKUVSD-CQSZACIVSA-N 0 0 396.465 0.825 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000507280329 1195508657 /nfs/dbraw/zinc/50/86/57/1195508657.db2.gz CONFIHNPTDKNDC-RYUDHWBXSA-N 0 0 381.454 0.245 10 0 GCAERN CC(=O)N1CCCc2cc(NC(=O)C(=O)N3CCN(CCO)[C@H](C)C3)ccc21 ZINC000427434512 1195539786 /nfs/dbraw/zinc/53/97/86/1195539786.db2.gz IHBNXKJUHAAFID-CQSZACIVSA-N 0 0 388.468 0.449 10 0 GCAERN O=C(NCc1ccnc(N2CCCC2)c1)C(=O)N1CCSC[C@H]1CCO ZINC000550303778 1195554941 /nfs/dbraw/zinc/55/49/41/1195554941.db2.gz LJXZYFVJRKRHPN-OAHLLOKOSA-N 0 0 378.498 0.624 10 0 GCAERN COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CC4(C3)CCCOC4)C2)cc1 ZINC000334017610 1195557939 /nfs/dbraw/zinc/55/79/39/1195557939.db2.gz BDHBFRZJRNTFLI-UHFFFAOYSA-N 0 0 395.481 0.890 10 0 GCAERN CCOC(=O)COc1cccc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)c1 ZINC000440581313 1195564259 /nfs/dbraw/zinc/56/42/59/1195564259.db2.gz RNTCJBLKVDGOAH-CYBMUJFWSA-N 0 0 391.424 0.646 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)[C@H](C)C1 ZINC000440572875 1195565009 /nfs/dbraw/zinc/56/50/09/1195565009.db2.gz BPHBKTOXVQZMRL-LLVKDONJSA-N 0 0 399.444 0.388 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)[C@@H](C)C1 ZINC000440570584 1195565030 /nfs/dbraw/zinc/56/50/30/1195565030.db2.gz IXWLJJGFJDUMSW-ZDUSSCGKSA-N 0 0 390.440 0.171 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)[C@H](C)C1 ZINC000440584602 1195566291 /nfs/dbraw/zinc/56/62/91/1195566291.db2.gz 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Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)N(C)CCO4)CC2)[nH]1 ZINC000440753027 1195580290 /nfs/dbraw/zinc/58/02/90/1195580290.db2.gz OMBADYYOOHEZEW-UHFFFAOYSA-N 0 0 399.455 0.225 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3c(F)cc(F)cc3F)CC2)[nH]1 ZINC000440746606 1195580494 /nfs/dbraw/zinc/58/04/94/1195580494.db2.gz KCTRGFCFHTVTTF-UHFFFAOYSA-N 0 0 382.346 0.813 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)N3C[C@H](C)Oc4ccccc43)CC2)[nH]1 ZINC000440754962 1195580830 /nfs/dbraw/zinc/58/08/30/1195580830.db2.gz OSCHTXGNOLOSDW-ZDUSSCGKSA-N 0 0 384.440 0.571 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cccc(-c4nnco4)c3)CC2)[nH]1 ZINC000440765127 1195582163 /nfs/dbraw/zinc/58/21/63/1195582163.db2.gz VIVVQLHEGUUTGZ-UHFFFAOYSA-N 0 0 396.411 0.446 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc(-c4cc[nH]n4)cc3)CC2)[nH]1 ZINC000440766203 1195582682 /nfs/dbraw/zinc/58/26/82/1195582682.db2.gz XYBJQCYPEQWLPD-UHFFFAOYSA-N 0 0 394.439 0.786 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)N(C)CC4)CC2)[nH]1 ZINC000440766772 1195582779 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0.822 10 0 GCAERN C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000328933609 1195676531 /nfs/dbraw/zinc/67/65/31/1195676531.db2.gz PSVKYKBRJJXFSK-MGPQQGTHSA-N 0 0 380.470 0.729 10 0 GCAERN CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(C4CC4)CC3)cc(C3CC3)nc21 ZINC000124757626 1195686148 /nfs/dbraw/zinc/68/61/48/1195686148.db2.gz BWWMFQIYVNNLLO-UHFFFAOYSA-N 0 0 383.452 0.902 10 0 GCAERN O=C1C[C@@H](N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C(=O)N1CC(F)(F)F ZINC000520444929 1195726692 /nfs/dbraw/zinc/72/66/92/1195726692.db2.gz XFRMDQVNWZQVJK-CMPLNLGQSA-N 0 0 397.419 0.470 10 0 GCAERN COc1cc(OC)c(C[C@@H](C)NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(OC)c1 ZINC000458960980 1195736706 /nfs/dbraw/zinc/73/67/06/1195736706.db2.gz HKQPDYJTLLQJPF-HONMWMINSA-N 0 0 391.424 0.557 10 0 GCAERN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188720090 1195737149 /nfs/dbraw/zinc/73/71/49/1195737149.db2.gz UAMSBWWFBKLSGL-DYVFJYSZSA-N 0 0 376.436 0.429 10 0 GCAERN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188715457 1195737360 /nfs/dbraw/zinc/73/73/60/1195737360.db2.gz FRSKZDGEZSVZTF-DYVFJYSZSA-N 0 0 376.436 0.429 10 0 GCAERN CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCCc2cccc(OC)n2)CC1 ZINC000441457500 1195738366 /nfs/dbraw/zinc/73/83/66/1195738366.db2.gz KOVKIDAZBIBMQE-OAHLLOKOSA-N 0 0 377.489 0.875 10 0 GCAERN C[C@@H]1CN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CCN1CCO ZINC000188820429 1195739006 /nfs/dbraw/zinc/73/90/06/1195739006.db2.gz SYKFNDYVUFUMHC-LLVKDONJSA-N 0 0 384.362 0.820 10 0 GCAERN Cn1ncc2c1ncn(CC(=O)NC[C@H]1CN(Cc3ccccc3)CCO1)c2=O ZINC000248035263 1195740607 /nfs/dbraw/zinc/74/06/07/1195740607.db2.gz MMPUDFHHIUHPNZ-INIZCTEOSA-N 0 0 396.451 0.147 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@H](CO)c2cccnc2)c1 ZINC000520467106 1195745973 /nfs/dbraw/zinc/74/59/73/1195745973.db2.gz ATUWIYZCWKJDGJ-INIZCTEOSA-N 0 0 391.449 0.455 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)n(-c2ccccc2F)n1 ZINC000190034612 1195755586 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GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCC(=O)OC(C)(C)C)c1 ZINC000441482641 1195756475 /nfs/dbraw/zinc/75/64/75/1195756475.db2.gz AHGYSPYKIIGNFC-UHFFFAOYSA-N 0 0 399.469 0.723 10 0 GCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000441499070 1195768192 /nfs/dbraw/zinc/76/81/92/1195768192.db2.gz LTJPTHAEAYCFNF-CZUORRHYSA-N 0 0 379.482 0.728 10 0 GCAERN Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181280739 1195774258 /nfs/dbraw/zinc/77/42/58/1195774258.db2.gz QFHLUFYVNANHHJ-NSHDSACASA-N 0 0 381.502 0.987 10 0 GCAERN CC[C@H](C)[C@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(=O)OC ZINC000520506177 1195775585 /nfs/dbraw/zinc/77/55/85/1195775585.db2.gz VKFMHMNGVGVCJZ-XPTSAGLGSA-N 0 0 390.433 0.728 10 0 GCAERN O=C(C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)N1CCC12CCC2 ZINC000441526091 1195778265 /nfs/dbraw/zinc/77/82/65/1195778265.db2.gz PIMICILCTDDHLY-KRWDZBQOSA-N 0 0 399.447 0.794 10 0 GCAERN C[C@H]1CCc2nc(NC(=O)C(=O)N3CC[C@@]4(C3)NC(=O)N(C)C4=O)sc2C1 ZINC000507772840 1195779095 /nfs/dbraw/zinc/77/90/95/1195779095.db2.gz HYKZAASEHWYHRK-XYZCENFISA-N 0 0 391.453 0.359 10 0 GCAERN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N1CCC12CCC2 ZINC000441542690 1195781335 /nfs/dbraw/zinc/78/13/35/1195781335.db2.gz FPFVPJLOFFRKSM-UHFFFAOYSA-N 0 0 393.465 0.801 10 0 GCAERN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)cc21 ZINC000441577750 1195787766 /nfs/dbraw/zinc/78/77/66/1195787766.db2.gz VSPDSKZOVYUFEI-LBPRGKRZSA-N 0 0 386.330 0.365 10 0 GCAERN CCC(=O)N[C@H]1CCCN(C(=O)Nc2cnn(CC(=O)NCCOC)c2)C1 ZINC000473999684 1195804038 /nfs/dbraw/zinc/80/40/38/1195804038.db2.gz GFXYAAPLIKWRJN-ZDUSSCGKSA-N 0 0 380.449 0.168 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc([S@](C)=O)cc2)CC1 ZINC000441657922 1195811291 /nfs/dbraw/zinc/81/12/91/1195811291.db2.gz UAYDXIGVQHASMI-MHZLTWQESA-N 0 0 395.481 0.458 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1 ZINC000441662415 1195813187 /nfs/dbraw/zinc/81/31/87/1195813187.db2.gz CAFWUQMUBBZFPU-ZDUSSCGKSA-N 0 0 391.472 0.888 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cccc3c2OCO3)CC1 ZINC000441670877 1195813737 /nfs/dbraw/zinc/81/37/37/1195813737.db2.gz BKPKPGKOSAKASB-UHFFFAOYSA-N 0 0 377.397 0.450 10 0 GCAERN COC(=O)c1ccccc1NC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000441668405 1195813916 /nfs/dbraw/zinc/81/39/16/1195813916.db2.gz QIDLSBFNKHCUCP-UHFFFAOYSA-N 0 0 391.424 0.508 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccnn2CC(C)C)CC1 ZINC000441665260 1195814516 /nfs/dbraw/zinc/81/45/16/1195814516.db2.gz DBMRWNROPMOUFE-UHFFFAOYSA-N 0 0 379.461 0.573 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cnn(CC(C)C)c2)CC1 ZINC000441691345 1195819869 /nfs/dbraw/zinc/81/98/69/1195819869.db2.gz SEFDFZKYWBTEMN-UHFFFAOYSA-N 0 0 379.461 0.573 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NC[C@H]2CC[C@@H](C)O2)CC1 ZINC000459166206 1195837428 /nfs/dbraw/zinc/83/74/28/1195837428.db2.gz MPGGUHKKTPELMH-HUUCEWRRSA-N 0 0 396.513 0.994 10 0 GCAERN NC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ncc(C4CC4)o3)CC2)o1 ZINC000535555866 1195838148 /nfs/dbraw/zinc/83/81/48/1195838148.db2.gz KXFMCXYUILTMGF-UHFFFAOYSA-N 0 0 380.426 0.750 10 0 GCAERN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000536494256 1195841589 /nfs/dbraw/zinc/84/15/89/1195841589.db2.gz YLORFEXLQVEGQZ-NSHDSACASA-N 0 0 398.489 0.277 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)N(C)CC(=O)N3CCOCC3)c2)n1 ZINC000441790782 1195849145 /nfs/dbraw/zinc/84/91/45/1195849145.db2.gz UUDYOKYUWLCJRN-UHFFFAOYSA-N 0 0 387.444 0.656 10 0 GCAERN COC(=O)c1ccc(OC[C@@H](O)CS(=O)(=O)Cc2cnc(C)nc2)cc1 ZINC000507820242 1195852914 /nfs/dbraw/zinc/85/29/14/1195852914.db2.gz YLUZMIGZDHUZEC-OAHLLOKOSA-N 0 0 380.422 0.926 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(F)c1C ZINC000487401500 1195854755 /nfs/dbraw/zinc/85/47/55/1195854755.db2.gz PKFYOIPFIPKVMI-MNOVXSKESA-N 0 0 390.433 0.877 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(F)c1C ZINC000487401501 1195855091 /nfs/dbraw/zinc/85/50/91/1195855091.db2.gz PKFYOIPFIPKVMI-QWRGUYRKSA-N 0 0 390.433 0.877 10 0 GCAERN CCCCCN(CC(N)=O)C(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000507823716 1195855504 /nfs/dbraw/zinc/85/55/04/1195855504.db2.gz IORCQJVOOWYQCR-UHFFFAOYSA-N 0 0 389.449 0.528 10 0 GCAERN COc1c(F)cc(CC(=O)Nc2nnc3n2CCCC3)cc1S(N)(=O)=O ZINC000507887387 1195869773 /nfs/dbraw/zinc/86/97/73/1195869773.db2.gz FTBPMRAIZLJPKJ-UHFFFAOYSA-N 0 0 383.405 0.591 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC ZINC000487403890 1195874951 /nfs/dbraw/zinc/87/49/51/1195874951.db2.gz SZIFJYZMTWNHJE-CYDGBPFRSA-N 0 0 392.474 0.094 10 0 GCAERN COCCCNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000507929184 1195875178 /nfs/dbraw/zinc/87/51/78/1195875178.db2.gz SLNAVPSXGZWHRE-MRXNPFEDSA-N 0 0 392.504 0.588 10 0 GCAERN CC(=O)N1CCc2cc(NC(=O)C(=O)N[C@@H](C)C3(S(C)(=O)=O)CC3)ccc21 ZINC000507959313 1195876875 /nfs/dbraw/zinc/87/68/75/1195876875.db2.gz VLUISTUEYYPQGU-NSHDSACASA-N 0 0 393.465 0.616 10 0 GCAERN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc[nH]c4=O)CC3)C2=O)n(C)n1 ZINC000508009720 1195884947 /nfs/dbraw/zinc/88/49/47/1195884947.db2.gz IERCCPVHUMDCDA-MRXNPFEDSA-N 0 0 398.467 0.783 10 0 GCAERN Cc1cc(N2CCC[C@H](N3CCN(C(=O)N[C@H]4CCOC4)CC3)C2=O)n(C)n1 ZINC000508271800 1195914898 /nfs/dbraw/zinc/91/48/98/1195914898.db2.gz FCHFIHAMEXMBNI-HOTGVXAUSA-N 0 0 390.488 0.340 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2nccc3c2cccc3S(N)(=O)=O)C1 ZINC000508295891 1195916524 /nfs/dbraw/zinc/91/65/24/1195916524.db2.gz NJRZHIMILMFQEG-LLVKDONJSA-N 0 0 391.453 0.416 10 0 GCAERN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C1 ZINC000520922479 1195937458 /nfs/dbraw/zinc/93/74/58/1195937458.db2.gz SVSKRYRPCMSUCA-WMLDXEAASA-N 0 0 390.502 0.776 10 0 GCAERN CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3ncccn3)CC2)c1 ZINC000441998498 1195938259 /nfs/dbraw/zinc/93/82/59/1195938259.db2.gz HIMDUTVEVBWCNZ-UHFFFAOYSA-N 0 0 393.444 0.780 10 0 GCAERN O=C(Nc1ccccc1CN1CCOCC1)C(=O)N1CCSC[C@H]1CCO ZINC000442077052 1195949664 /nfs/dbraw/zinc/94/96/64/1195949664.db2.gz JKKBSXGUWKXVCE-MRXNPFEDSA-N 0 0 393.509 0.784 10 0 GCAERN CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000442074538 1195949792 /nfs/dbraw/zinc/94/97/92/1195949792.db2.gz CRVYPQHKGKRXRZ-AWEZNQCLSA-N 0 0 395.481 0.419 10 0 GCAERN C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCSC[C@@H]3CCO)cc2NC1=O ZINC000442078116 1195950042 /nfs/dbraw/zinc/95/00/42/1195950042.db2.gz JRABBOJOYVDBLR-JQWIXIFHSA-N 0 0 379.438 0.671 10 0 GCAERN CN1CCc2ccc(NC(=O)C(=O)N3CCSC[C@@H]3CCO)cc2C1=O ZINC000442084267 1195950893 /nfs/dbraw/zinc/95/08/93/1195950893.db2.gz QYYYTIDSGIOLGA-AWEZNQCLSA-N 0 0 377.466 0.580 10 0 GCAERN O=C(Nc1ccc(NC(=O)C2CC2)nc1)C(=O)N1CCSC[C@H]1CCO ZINC000442091404 1195951797 /nfs/dbraw/zinc/95/17/97/1195951797.db2.gz AKJBPHLWUMRVCW-CYBMUJFWSA-N 0 0 378.454 0.695 10 0 GCAERN CCOC(=O)COc1cccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)c1 ZINC000442101806 1195953089 /nfs/dbraw/zinc/95/30/89/1195953089.db2.gz VGDGYXLNUXUAKX-CQSZACIVSA-N 0 0 396.465 0.893 10 0 GCAERN O=C(Nc1cccn(CC(F)(F)F)c1=O)C(=O)N1CCSC[C@H]1CCO ZINC000442105678 1195954285 /nfs/dbraw/zinc/95/42/85/1195954285.db2.gz HLCLXDPJUZIMNL-SNVBAGLBSA-N 0 0 393.387 0.676 10 0 GCAERN CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)c1 ZINC000442114047 1195954597 /nfs/dbraw/zinc/95/45/97/1195954597.db2.gz YAIXXIWJLZUATQ-DOMZBBRYSA-N 0 0 395.481 0.925 10 0 GCAERN O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)C(=O)Nc1cccc2c1OCCC2 ZINC000442115014 1195954874 /nfs/dbraw/zinc/95/48/74/1195954874.db2.gz PPAWLAUWQLRLCC-CWTRNNRKSA-N 0 0 386.408 0.445 10 0 GCAERN CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCSC[C@H]2CCO)ccc1F ZINC000442115704 1195955070 /nfs/dbraw/zinc/95/50/70/1195955070.db2.gz UHNDYEMDLMVYMA-GFCCVEGCSA-N 0 0 383.445 0.792 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)no1 ZINC000442146483 1195958245 /nfs/dbraw/zinc/95/82/45/1195958245.db2.gz IMKCXAQLOJWYIJ-UHFFFAOYSA-N 0 0 380.449 0.247 10 0 GCAERN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)N(C)Cc1nnnn1C ZINC000442212810 1195963702 /nfs/dbraw/zinc/96/37/02/1195963702.db2.gz FERZNXRHAYPAKB-UHFFFAOYSA-N 0 0 388.432 0.586 10 0 GCAERN Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442260880 1195967198 /nfs/dbraw/zinc/96/71/98/1195967198.db2.gz DLILDXJEASQGLM-HNNXBMFYSA-N 0 0 385.424 0.219 10 0 GCAERN CN(C)c1c(Cl)cccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442262786 1195967633 /nfs/dbraw/zinc/96/76/33/1195967633.db2.gz GJHJEQVVCGODAF-CYBMUJFWSA-N 0 0 382.848 0.444 10 0 GCAERN O=C(Nc1ccc2c3c(cccc31)CC2)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442264711 1195967685 /nfs/dbraw/zinc/96/76/85/1195967685.db2.gz IAYGQIIOOZUREZ-KRWDZBQOSA-N 0 0 381.432 0.976 10 0 GCAERN Cc1ccnc(-c2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)n1 ZINC000442262140 1195967719 /nfs/dbraw/zinc/96/77/19/1195967719.db2.gz PYCXSJBDHJTBQU-MRXNPFEDSA-N 0 0 397.435 0.490 10 0 GCAERN O=C(Nc1cc(-c2ccccc2)ns1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442276131 1195970272 /nfs/dbraw/zinc/97/02/72/1195970272.db2.gz UQROADSZXSLLKG-CYBMUJFWSA-N 0 0 388.449 0.848 10 0 GCAERN O=C(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442279217 1195971085 /nfs/dbraw/zinc/97/10/85/1195971085.db2.gz XHEWVGOMRGEYBT-GFCCVEGCSA-N 0 0 391.321 0.883 10 0 GCAERN O=C(Nc1cc2c(cc1Cl)OCO2)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442281791 1195971714 /nfs/dbraw/zinc/97/17/14/1195971714.db2.gz YPAGRSDUDGKDLN-JTQLQIEISA-N 0 0 383.788 0.107 10 0 GCAERN O=C(Nc1ccc(Cc2ccncc2)cc1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442287982 1195972496 /nfs/dbraw/zinc/97/24/96/1195972496.db2.gz CCNYTNWSLOSTDL-SFHVURJKSA-N 0 0 396.447 0.710 10 0 GCAERN O=C(Nc1cccc(Oc2ccccn2)c1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442290757 1195972886 /nfs/dbraw/zinc/97/28/86/1195972886.db2.gz BAWKSGDHOIVHGT-INIZCTEOSA-N 0 0 398.419 0.912 10 0 GCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)n(-c2ccccc2)n1 ZINC000442297178 1195974213 /nfs/dbraw/zinc/97/42/13/1195974213.db2.gz NYYAQVIBKMWSJS-OAHLLOKOSA-N 0 0 385.424 0.219 10 0 GCAERN O=C(Nc1nc(-c2ccccc2)cs1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442302615 1195974995 /nfs/dbraw/zinc/97/49/95/1195974995.db2.gz VZKXXNNWGBVECP-ZDUSSCGKSA-N 0 0 388.449 0.848 10 0 GCAERN Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)c2)n1 ZINC000442305097 1195975454 /nfs/dbraw/zinc/97/54/54/1195975454.db2.gz ZGIYYSAPVQVTQM-QGZVFWFLSA-N 0 0 399.451 0.527 10 0 GCAERN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCCc2cccc(OC)n2)c1 ZINC000442326338 1195976400 /nfs/dbraw/zinc/97/64/00/1195976400.db2.gz QTFHYBYQZKTHIS-UHFFFAOYSA-N 0 0 386.408 0.756 10 0 GCAERN COc1cccc(CCNC(=O)C(=O)Nc2cccnc2N2CCOCC2)n1 ZINC000442317674 1195977627 /nfs/dbraw/zinc/97/76/27/1195977627.db2.gz BEEPQWPIGSJHSC-UHFFFAOYSA-N 0 0 385.424 0.619 10 0 GCAERN O=C(NCCc1ccc(-n2cccn2)cc1)C(=O)NCc1nnc2ccccn21 ZINC000521214847 1195978905 /nfs/dbraw/zinc/97/89/05/1195978905.db2.gz XELNSTVJHNASQW-UHFFFAOYSA-N 0 0 389.419 0.890 10 0 GCAERN Cc1nc([C@H]2COCCN2C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)no1 ZINC000366939670 1195982268 /nfs/dbraw/zinc/98/22/68/1195982268.db2.gz YZLVMRJXFOWFSW-CQSZACIVSA-N 0 0 385.380 0.653 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000442551763 1195993636 /nfs/dbraw/zinc/99/36/36/1195993636.db2.gz YVOGMUOGICHBAA-ZNMIVQPWSA-N 0 0 395.481 0.853 10 0 GCAERN C[C@@H](CC(=O)N1CCC(CNS(C)(=O)=O)CC1)NC(=O)c1ccccc1 ZINC000521848398 1196020056 /nfs/dbraw/zinc/02/00/56/1196020056.db2.gz ZBNCYMTXYOOBEY-AWEZNQCLSA-N 0 0 381.498 0.983 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000443201470 1196027428 /nfs/dbraw/zinc/02/74/28/1196027428.db2.gz VPAAJSHLMDSUIT-NEPJUHHUSA-N 0 0 399.469 0.123 10 0 GCAERN COc1ccc(NC(=O)C(=O)N(C)CCCO)cc1OCC(=O)NC1CC1 ZINC000443263500 1196032241 /nfs/dbraw/zinc/03/22/41/1196032241.db2.gz CDITZPAZMHAWBW-UHFFFAOYSA-N 0 0 379.413 0.132 10 0 GCAERN CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)N(C)CCCO)cc2)CC1 ZINC000443270493 1196033324 /nfs/dbraw/zinc/03/33/24/1196033324.db2.gz NIVHAEGDAXPBJN-UHFFFAOYSA-N 0 0 376.457 0.130 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000522042162 1196038826 /nfs/dbraw/zinc/03/88/26/1196038826.db2.gz LAPJBQOZQKEKRR-INIZCTEOSA-N 0 0 379.482 0.863 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000522042163 1196039039 /nfs/dbraw/zinc/03/90/39/1196039039.db2.gz LAPJBQOZQKEKRR-MRXNPFEDSA-N 0 0 379.482 0.863 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)no1 ZINC000443365790 1196042042 /nfs/dbraw/zinc/04/20/42/1196042042.db2.gz LFAGOTGCBRXHDA-UHFFFAOYSA-N 0 0 385.446 0.550 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)no1 ZINC000443361779 1196042613 /nfs/dbraw/zinc/04/26/13/1196042613.db2.gz ZFGCKCGWDMRLNW-JTQLQIEISA-N 0 0 398.489 0.701 10 0 GCAERN Cc1csc(N2CCN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC2)n1 ZINC000027819034 1196046209 /nfs/dbraw/zinc/04/62/09/1196046209.db2.gz VBTBWHSYRAIWRY-UHFFFAOYSA-N 0 0 385.449 0.804 10 0 GCAERN O=C(CNC(=O)c1ccc(O)cc1)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000522158639 1196048335 /nfs/dbraw/zinc/04/83/35/1196048335.db2.gz FHXODNQIFODBFX-UHFFFAOYSA-N 0 0 388.468 0.183 10 0 GCAERN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cn1 ZINC000550499179 1196056859 /nfs/dbraw/zinc/05/68/59/1196056859.db2.gz STFRJSNIYAEWNE-HXUWFJFHSA-N 0 0 387.484 0.673 10 0 GCAERN CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCSC[C@H]2CCO)cc1 ZINC000550501777 1196059738 /nfs/dbraw/zinc/05/97/38/1196059738.db2.gz WXFXDDUWFIJMHP-OAHLLOKOSA-N 0 0 379.482 0.379 10 0 GCAERN C[C@@]1(C2CCN(C(=O)NCc3ccccc3OCCO)CC2)NC(=O)NC1=O ZINC000443494925 1196061281 /nfs/dbraw/zinc/06/12/81/1196061281.db2.gz DVSLOVOWAVCHLG-IBGZPJMESA-N 0 0 390.440 0.577 10 0 GCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000443492664 1196061447 /nfs/dbraw/zinc/06/14/47/1196061447.db2.gz PEICBBRWPRLVCE-INIZCTEOSA-N 0 0 377.470 0.894 10 0 GCAERN CC(=O)N[C@](C)(C(=O)N1CCC(=O)[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000280851695 1196064136 /nfs/dbraw/zinc/06/41/36/1196064136.db2.gz RLAZADDUBHPTJC-SGTLLEGYSA-N 0 0 380.466 0.879 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCc2cccc(OC)c2)CC1 ZINC000550518851 1196073092 /nfs/dbraw/zinc/07/30/92/1196073092.db2.gz JZCCOPWKGFXQSK-UHFFFAOYSA-N 0 0 391.468 0.450 10 0 GCAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000329560364 1196077857 /nfs/dbraw/zinc/07/78/57/1196077857.db2.gz FYMRYLYIALUIED-ZIAGYGMSSA-N 0 0 399.538 0.540 10 0 GCAERN C[C@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000329560361 1196077982 /nfs/dbraw/zinc/07/79/82/1196077982.db2.gz FYMRYLYIALUIED-KBPBESRZSA-N 0 0 399.538 0.540 10 0 GCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000550534395 1196079144 /nfs/dbraw/zinc/07/91/44/1196079144.db2.gz JFJPTAVFKMGCFC-ZWKOTPCHSA-N 0 0 375.469 0.819 10 0 GCAERN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@H](O)CN2CCOCC2)CC1 ZINC000051382416 1196081113 /nfs/dbraw/zinc/08/11/13/1196081113.db2.gz ZDJUPURVRDERCF-LPHOPBHVSA-N 0 0 394.491 0.463 10 0 GCAERN Cn1c2[nH]c(CCC(=O)NCCCCOCc3ccccc3)nc2c(=O)[nH]c1=O ZINC000051442486 1196082675 /nfs/dbraw/zinc/08/26/75/1196082675.db2.gz 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CS(=O)(=O)c1ccc(-n2nnnc2CN2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC000172045620 1197160012 /nfs/dbraw/zinc/16/00/12/1197160012.db2.gz DXFXNJOECJIKBP-MPYYAJLASA-N 0 0 377.470 0.659 10 0 GCAERN CCS(=O)(=O)N(C)C1CCN([C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173363756 1197176787 /nfs/dbraw/zinc/17/67/87/1197176787.db2.gz WURYARJAJRYDKR-OAHLLOKOSA-N 0 0 383.518 0.580 10 0 GCAERN Cn1cc(N2CCC[C@@H](NC(=O)c3cc(S(N)(=O)=O)ccc3F)C2)cn1 ZINC000173397285 1197176815 /nfs/dbraw/zinc/17/68/15/1197176815.db2.gz YRCAXMCYYVVMFM-LLVKDONJSA-N 0 0 381.433 0.605 10 0 GCAERN O=C(NCc1cscn1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000174400346 1197180540 /nfs/dbraw/zinc/18/05/40/1197180540.db2.gz MIJHURQLXODCQJ-HNNXBMFYSA-N 0 0 385.449 0.897 10 0 GCAERN O=C(CN1CCN(c2ccccn2)CC1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000174711895 1197181989 /nfs/dbraw/zinc/18/19/89/1197181989.db2.gz IJTMIKQXMVFQMA-LJQANCHMSA-N 0 0 387.528 0.917 10 0 GCAERN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000174783371 1197182500 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1197237412 /nfs/dbraw/zinc/23/74/12/1197237412.db2.gz GEDQJGSCRGVKKO-CYBMUJFWSA-N 0 0 383.518 0.820 10 0 GCAERN CCN(C(=O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000189697481 1197238024 /nfs/dbraw/zinc/23/80/24/1197238024.db2.gz CKKJCUWLPNDVHD-OAHLLOKOSA-N 0 0 395.529 0.445 10 0 GCAERN CC(C)(CNC(=O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1)N1CCOCC1 ZINC000189657007 1197238043 /nfs/dbraw/zinc/23/80/43/1197238043.db2.gz KHEURIKWFZAEMJ-UHFFFAOYSA-N 0 0 390.532 0.636 10 0 GCAERN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189797954 1197238454 /nfs/dbraw/zinc/23/84/54/1197238454.db2.gz PKLPSHIPWWTJFC-UHFFFAOYSA-N 0 0 381.440 0.920 10 0 GCAERN Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000189786597 1197238580 /nfs/dbraw/zinc/23/85/80/1197238580.db2.gz MOABYPXUDUYRGV-UHFFFAOYSA-N 0 0 381.436 0.896 10 0 GCAERN O=C(CNS(=O)(=O)c1cccs1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189964400 1197239866 /nfs/dbraw/zinc/23/98/66/1197239866.db2.gz VQBIBYAHCMSMDP-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/56/82/86/1199568286.db2.gz CEXQTJOPGVEVKA-UHFFFAOYSA-N 0 0 381.498 0.578 10 0 GCAERN CN(CC(=O)N1CCCC1)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 ZINC000116078657 1199577104 /nfs/dbraw/zinc/57/71/04/1199577104.db2.gz SUZICDRNKFHDAR-IBGZPJMESA-N 0 0 398.463 0.543 10 0 GCAERN CN(Cc1nnnn1C)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000466285731 1199602613 /nfs/dbraw/zinc/60/26/13/1199602613.db2.gz CWVKJCFMQFBSIJ-UHFFFAOYSA-N 0 0 395.489 0.629 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)NC2(CC(=O)OC)CCOCC2)c1 ZINC000543279882 1199624057 /nfs/dbraw/zinc/62/40/57/1199624057.db2.gz CUOUXXRZOVBWKY-UHFFFAOYSA-N 0 0 385.442 0.829 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)n1 ZINC000543367738 1199681988 /nfs/dbraw/zinc/68/19/88/1199681988.db2.gz VXYSYRDRVIGCNG-GFCCVEGCSA-N 0 0 388.494 0.643 10 0 GCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000543383871 1199690483 /nfs/dbraw/zinc/69/04/83/1199690483.db2.gz JHLVBRQXCLNSGC-SNVBAGLBSA-N 0 0 383.478 0.689 10 0 GCAERN Cc1ccc([C@@H](CNC(=O)CN2C(=O)NC(C)(C)C2=O)N2CCOCC2)cc1 ZINC000117560325 1199694421 /nfs/dbraw/zinc/69/44/21/1199694421.db2.gz CDHJOKBWJMQQTJ-MRXNPFEDSA-N 0 0 388.468 0.815 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOC3(CCCC3)C2)C[C@H]1N1CCOCC1 ZINC000673481391 1199701413 /nfs/dbraw/zinc/70/14/13/1199701413.db2.gz MPCHQLKOCKFBOV-BRWVUGGUSA-N 0 0 379.501 0.774 10 0 GCAERN CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)Cc1nnnn1C ZINC000466466265 1199720990 /nfs/dbraw/zinc/72/09/90/1199720990.db2.gz PKPPMEYSZZBYRV-UHFFFAOYSA-N 0 0 375.389 0.152 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCC2CCOCC2)c1 ZINC000466482175 1199737701 /nfs/dbraw/zinc/73/77/01/1199737701.db2.gz PLVNIRBMPWYYLM-UHFFFAOYSA-N 0 0 383.470 0.808 10 0 GCAERN Cc1c(NC(=O)[C@@H](C)N(C)Cc2nnnn2C)c(=O)n(-c2ccccc2)n1C ZINC000466484275 1199739604 /nfs/dbraw/zinc/73/96/04/1199739604.db2.gz ZGZNQKXNWATOEB-CYBMUJFWSA-N 0 0 384.444 0.467 10 0 GCAERN Cc1oc2ncnc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2c1C ZINC000118200488 1199752333 /nfs/dbraw/zinc/75/23/33/1199752333.db2.gz WUPLRKBHFAHSAA-UHFFFAOYSA-N 0 0 383.368 0.225 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)[nH]1 ZINC000118682946 1199774059 /nfs/dbraw/zinc/77/40/59/1199774059.db2.gz BTWUDVJOKRXQSN-UHFFFAOYSA-N 0 0 397.414 0.756 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)CC2)[nH]1 ZINC000118682862 1199774441 /nfs/dbraw/zinc/77/44/41/1199774441.db2.gz YEQAVXSMRCPEBH-UHFFFAOYSA-N 0 0 397.888 0.885 10 0 GCAERN O=C(CN1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1)N1CCOCC1 ZINC000123660095 1199795711 /nfs/dbraw/zinc/79/57/11/1199795711.db2.gz YYOZYSNEWFXSQI-UHFFFAOYSA-N 0 0 383.452 0.693 10 0 GCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N(C)CCN3CCCS3(=O)=O)[C@@H]2C1 ZINC000673592661 1199836732 /nfs/dbraw/zinc/83/67/32/1199836732.db2.gz YUWUTVBDYPBLJV-XHSDSOJGSA-N 0 0 386.518 0.310 10 0 GCAERN CC1(C)CN(C(=O)C(=O)NC[C@H]2CCCn3ccnc32)C[C@]2(CCOC2)O1 ZINC000673615222 1199868526 /nfs/dbraw/zinc/86/85/26/1199868526.db2.gz DLUHVODTBCGSPE-KUHUBIRLSA-N 0 0 376.457 0.673 10 0 GCAERN CC(=O)N(Cc1ccc(NC(=O)C(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1)C1CC1 ZINC000282398893 1199884439 /nfs/dbraw/zinc/88/44/39/1199884439.db2.gz OXGBFQPLMVBQBO-ZDUSSCGKSA-N 0 0 386.452 0.825 10 0 GCAERN Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(=O)n(C)c1=O ZINC000173084339 1199890598 /nfs/dbraw/zinc/89/05/98/1199890598.db2.gz YPUBWDZDKRVLQH-JTQLQIEISA-N 0 0 376.800 0.729 10 0 GCAERN Cc1ccc(NC(=O)CN2CCN(C3CC3)CC2)cc1S(=O)(=O)N(C)C ZINC000126015795 1199904268 /nfs/dbraw/zinc/90/42/68/1199904268.db2.gz VWTXPHBNPPFSRD-UHFFFAOYSA-N 0 0 380.514 0.964 10 0 GCAERN NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)Nc3ccc4nccn4c3)CC2=O)c1 ZINC000673668352 1199925407 /nfs/dbraw/zinc/92/54/07/1199925407.db2.gz LCGKZUBFKAJVIX-LBPRGKRZSA-N 0 0 399.432 0.973 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)Cc2cc(C(F)(F)F)ccn2)CC1 ZINC000625359388 1199941040 /nfs/dbraw/zinc/94/10/40/1199941040.db2.gz DRUUCDGEEYGGBF-UHFFFAOYSA-N 0 0 386.374 0.840 10 0 GCAERN O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000673828766 1199954875 /nfs/dbraw/zinc/95/48/75/1199954875.db2.gz FXTQWDZPQZGQQY-QGZVFWFLSA-N 0 0 399.447 0.959 10 0 GCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000673829153 1199956392 /nfs/dbraw/zinc/95/63/92/1199956392.db2.gz SVLQVNFMQHMRSZ-HNNXBMFYSA-N 0 0 387.440 0.490 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)c3cc4c(ncnc4N(C)C)n3C)CC2)[nH]1 ZINC000673841575 1199958611 /nfs/dbraw/zinc/95/86/11/1199958611.db2.gz ZDHMXTUCVHRUOI-UHFFFAOYSA-N 0 0 383.460 0.419 10 0 GCAERN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCCCN1CCCS1(=O)=O ZINC000673836050 1199958919 /nfs/dbraw/zinc/95/89/19/1199958919.db2.gz JKYHSMKMLWZOPA-UHFFFAOYSA-N 0 0 398.876 0.535 10 0 GCAERN O=C(NCc1ccccc1Cn1cncn1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000673850769 1199960043 /nfs/dbraw/zinc/96/00/43/1199960043.db2.gz MQPVVGYMWMPBIS-GOSISDBHSA-N 0 0 398.467 0.906 10 0 GCAERN O=C(NCc1ccc(Cn2cncn2)cc1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000673849060 1199960112 /nfs/dbraw/zinc/96/01/12/1199960112.db2.gz DQSBTTFCPXNOTJ-GOSISDBHSA-N 0 0 398.467 0.906 10 0 GCAERN O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000673852225 1199960396 /nfs/dbraw/zinc/96/03/96/1199960396.db2.gz XKSGVKOXKYOVQO-RYUDHWBXSA-N 0 0 392.378 0.229 10 0 GCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000673852224 1199960504 /nfs/dbraw/zinc/96/05/04/1199960504.db2.gz XKSGVKOXKYOVQO-NWDGAFQWSA-N 0 0 392.378 0.229 10 0 GCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000673876374 1199965481 /nfs/dbraw/zinc/96/54/81/1199965481.db2.gz DGAYJDCZYIXLBD-WCQYABFASA-N 0 0 378.395 0.702 10 0 GCAERN CC(C)C(=O)N1CCCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000673883151 1199967553 /nfs/dbraw/zinc/96/75/53/1199967553.db2.gz FFNNOVVQFJRFHN-MRXNPFEDSA-N 0 0 380.489 0.666 10 0 GCAERN COc1ccccc1[C@H](CO)NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000673884368 1199968255 /nfs/dbraw/zinc/96/82/55/1199968255.db2.gz XZCWRJSVALHAFW-CVEARBPZSA-N 0 0 377.441 0.808 10 0 GCAERN Cn1cc(C[C@H]2CCN(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2)cn1 ZINC000673884092 1199968339 /nfs/dbraw/zinc/96/83/39/1199968339.db2.gz SUIWSHGYCRPDSB-RHSMWYFYSA-N 0 0 375.473 0.774 10 0 GCAERN O=C(Nc1cccc2c1OCCO2)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000673890533 1199969716 /nfs/dbraw/zinc/96/97/16/1199969716.db2.gz PJAUMHBZTFKKTO-AWEZNQCLSA-N 0 0 389.408 0.292 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000625478653 1199971632 /nfs/dbraw/zinc/97/16/32/1199971632.db2.gz YXRIBOAYXINYFA-CQSZACIVSA-N 0 0 380.489 0.409 10 0 GCAERN CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1 ZINC000673908399 1199973529 /nfs/dbraw/zinc/97/35/29/1199973529.db2.gz SKLLEBHJUPKFGH-HNNXBMFYSA-N 0 0 392.525 0.690 10 0 GCAERN Cn1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000673913576 1199975259 /nfs/dbraw/zinc/97/52/59/1199975259.db2.gz ZDPSLIKEAYAXEC-ARFHVFGLSA-N 0 0 381.498 0.751 10 0 GCAERN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCN(C3CC3)C(=O)C2)cc1 ZINC000673974534 1200041277 /nfs/dbraw/zinc/04/12/77/1200041277.db2.gz MZGCUOBQIDDJEU-GFCCVEGCSA-N 0 0 380.470 0.672 10 0 GCAERN CCOC(=O)COc1ccc(CCNC(=O)N(C)Cc2nnnn2C)cc1 ZINC000466597771 1200096919 /nfs/dbraw/zinc/09/69/19/1200096919.db2.gz PPNXJQWEWMVEMC-UHFFFAOYSA-N 0 0 376.417 0.536 10 0 GCAERN COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(C)C1CCOCC1 ZINC000543555751 1200124581 /nfs/dbraw/zinc/12/45/81/1200124581.db2.gz VSJKMQUWGYDVFT-UHFFFAOYSA-N 0 0 375.425 0.798 10 0 GCAERN O=C(NCCn1cccc1)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000674097571 1200181702 /nfs/dbraw/zinc/18/17/02/1200181702.db2.gz JMNPDEALBADMFX-ARFHVFGLSA-N 0 0 381.498 0.714 10 0 GCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000674132906 1200184032 /nfs/dbraw/zinc/18/40/32/1200184032.db2.gz FAYVZWIRWLHEPB-DZGCQCFKSA-N 0 0 399.538 0.822 10 0 GCAERN C[C@H](CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)c1ccncc1 ZINC000674126404 1200185632 /nfs/dbraw/zinc/18/56/32/1200185632.db2.gz UIKYJTOKRUXNCQ-LLVKDONJSA-N 0 0 390.421 0.557 10 0 GCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000674166117 1200191960 /nfs/dbraw/zinc/19/19/60/1200191960.db2.gz AIVNHYICSBNNNH-WBVHZDCISA-N 0 0 380.489 0.130 10 0 GCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000674166114 1200192135 /nfs/dbraw/zinc/19/21/35/1200192135.db2.gz AIVNHYICSBNNNH-DOTOQJQBSA-N 0 0 380.489 0.130 10 0 GCAERN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)c1ccncc1 ZINC000674231245 1200201978 /nfs/dbraw/zinc/20/19/78/1200201978.db2.gz YJFHUIYHKSNFIY-SNVBAGLBSA-N 0 0 380.401 0.727 10 0 GCAERN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)c1ccncc1 ZINC000674231244 1200202422 /nfs/dbraw/zinc/20/24/22/1200202422.db2.gz YJFHUIYHKSNFIY-JTQLQIEISA-N 0 0 380.401 0.727 10 0 GCAERN Cn1cc(N2CCN(C(=O)C3CCN(C(=O)c4ccoc4)CC3)CC2=O)cn1 ZINC000674252482 1200203346 /nfs/dbraw/zinc/20/33/46/1200203346.db2.gz IETZXNZQZBCNRT-UHFFFAOYSA-N 0 0 385.424 0.741 10 0 GCAERN C[C@@H]1C(=O)Nc2cc(C(=O)NCCCN3CCCS3(=O)=O)ccc2N1C ZINC000674239169 1200204253 /nfs/dbraw/zinc/20/42/53/1200204253.db2.gz APINTLJTKKAUNX-GFCCVEGCSA-N 0 0 380.470 0.619 10 0 GCAERN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C[C@H](O)COC[C@H]3CCCO3)CC2)C1 ZINC000674277139 1200210978 /nfs/dbraw/zinc/21/09/78/1200210978.db2.gz TWFTWLYKXQCYHP-ZGXWSNOMSA-N 0 0 397.560 0.665 10 0 GCAERN C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000066951304 1200216223 /nfs/dbraw/zinc/21/62/23/1200216223.db2.gz SYKFSLPVDORWLB-WMLDXEAASA-N 0 0 399.557 0.839 10 0 GCAERN COC[C@](C)(CO)NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000674377110 1200229807 /nfs/dbraw/zinc/22/98/07/1200229807.db2.gz INVBXTSDWWHYHS-INIZCTEOSA-N 0 0 387.458 0.226 10 0 GCAERN COC[C@](C)(CO)NC(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC ZINC000674381591 1200231125 /nfs/dbraw/zinc/23/11/25/1200231125.db2.gz PRIGEMGJDQZRPZ-SFHVURJKSA-N 0 0 381.429 0.687 10 0 GCAERN COC[C@](C)(CO)NC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000674385800 1200232236 /nfs/dbraw/zinc/23/22/36/1200232236.db2.gz ZDWSNHMHJJUGRE-DCGLDWPTSA-N 0 0 383.449 0.038 10 0 GCAERN COC[C@@](C)(CO)NC(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000674384724 1200232295 /nfs/dbraw/zinc/23/22/95/1200232295.db2.gz PQFQZXCABQXBRC-GOSISDBHSA-N 0 0 381.429 0.443 10 0 GCAERN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1=O ZINC000674440648 1200239851 /nfs/dbraw/zinc/23/98/51/1200239851.db2.gz QPHDHHYDLYQINR-RCDCFZSISA-N 0 0 399.451 0.812 10 0 GCAERN CCN1CCN(c2ccc(C(=O)N3CCO[C@@H](CNC(C)=O)C3)cc2F)CC1 ZINC000172129881 1200260651 /nfs/dbraw/zinc/26/06/51/1200260651.db2.gz VTDJORARNHVLBN-KRWDZBQOSA-N 0 0 392.475 0.945 10 0 GCAERN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)c2cnn(C(C)(C)C)c2)C1=O ZINC000674580612 1200278191 /nfs/dbraw/zinc/27/81/91/1200278191.db2.gz BYXVQOOGCSXZPQ-XIKOKIGWSA-N 0 0 375.429 0.658 10 0 GCAERN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C(=O)c2cnn(C(C)(C)C)c2)C1=O ZINC000674580603 1200278578 /nfs/dbraw/zinc/27/85/78/1200278578.db2.gz BYXVQOOGCSXZPQ-KZULUSFZSA-N 0 0 375.429 0.658 10 0 GCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1 ZINC000674639487 1200292962 /nfs/dbraw/zinc/29/29/62/1200292962.db2.gz BLMWXEVFJPWEGH-SNUQEOBHSA-N 0 0 379.461 0.407 10 0 GCAERN CC(=O)N1C[C@@H](C(=O)OCC(=O)N2CCOC[C@@H]2C2CC2)Oc2ccccc21 ZINC000766065688 1200310695 /nfs/dbraw/zinc/31/06/95/1200310695.db2.gz SIVSOXYOLHZXGZ-AEFFLSMTSA-N 0 0 388.420 0.981 10 0 GCAERN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)N(CCO)CCN1CCOCC1 ZINC000485457495 1200328460 /nfs/dbraw/zinc/32/84/60/1200328460.db2.gz ZKRUCHNNSZPQEP-QGZVFWFLSA-N 0 0 376.457 0.128 10 0 GCAERN COc1ccc(F)c(NC(=O)C(=O)NCc2cccc(CS(N)(=O)=O)c2)c1 ZINC000674888004 1200330782 /nfs/dbraw/zinc/33/07/82/1200330782.db2.gz OMPUUQKBCPDRDY-UHFFFAOYSA-N 0 0 395.412 0.878 10 0 GCAERN O=C1[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CCN1C1CCOCC1 ZINC000675235970 1200364815 /nfs/dbraw/zinc/36/48/15/1200364815.db2.gz ZICXQIALGKIBTD-INIZCTEOSA-N 0 0 391.449 0.586 10 0 GCAERN CS(=O)(=O)N1CCN(CC(=O)N2CCN(c3cccc(F)c3)CC2)CC1 ZINC000675246897 1200366232 /nfs/dbraw/zinc/36/62/32/1200366232.db2.gz YUJMTPDTSSEZFH-UHFFFAOYSA-N 0 0 384.477 0.052 10 0 GCAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)O1 ZINC000675319958 1200372503 /nfs/dbraw/zinc/37/25/03/1200372503.db2.gz LZKOBGIIBGEMAE-CVEARBPZSA-N 0 0 380.489 0.890 10 0 GCAERN C[C@H](COc1ccccc1)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000675435882 1200400898 /nfs/dbraw/zinc/40/08/98/1200400898.db2.gz CFDZRWRIXVIGGG-QGZVFWFLSA-N 0 0 375.469 0.705 10 0 GCAERN CCOc1cccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)n1 ZINC000675467797 1200413532 /nfs/dbraw/zinc/41/35/32/1200413532.db2.gz RPVFUXDLXMCHDI-UHFFFAOYSA-N 0 0 399.494 0.909 10 0 GCAERN CCOc1cccc(CCNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)n1 ZINC000675475192 1200415778 /nfs/dbraw/zinc/41/57/78/1200415778.db2.gz MFIJROFUHBRWRC-UHFFFAOYSA-N 0 0 383.408 0.398 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)C1 ZINC000675483558 1200417122 /nfs/dbraw/zinc/41/71/22/1200417122.db2.gz PYXMKTGLZVSUIR-OAHLLOKOSA-N 0 0 382.486 0.312 10 0 GCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000675503063 1200424603 /nfs/dbraw/zinc/42/46/03/1200424603.db2.gz VDQJUEGUQDHPGL-DZGCQCFKSA-N 0 0 388.476 0.961 10 0 GCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000675503074 1200424674 /nfs/dbraw/zinc/42/46/74/1200424674.db2.gz VDQJUEGUQDHPGL-ZFWWWQNUSA-N 0 0 388.476 0.961 10 0 GCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000675503073 1200424770 /nfs/dbraw/zinc/42/47/70/1200424770.db2.gz VDQJUEGUQDHPGL-UKRRQHHQSA-N 0 0 388.476 0.961 10 0 GCAERN C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1O ZINC000703983748 1200430187 /nfs/dbraw/zinc/43/01/87/1200430187.db2.gz ODUBZWXKLWKHAH-SWLSCSKDSA-N 0 0 380.466 0.951 10 0 GCAERN C[C@@H]1C[C@@H](NC(=O)Cn2cc(-c3ccccc3)nn2)C(=O)N1c1cnn(C)c1 ZINC000675562764 1200431461 /nfs/dbraw/zinc/43/14/61/1200431461.db2.gz ZHPXAPZHVXHVOC-CZUORRHYSA-N 0 0 379.424 0.989 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cn1C ZINC000675552794 1200432343 /nfs/dbraw/zinc/43/23/43/1200432343.db2.gz ZOFKLXRMBSGPAO-ZDUSSCGKSA-N 0 0 382.486 0.454 10 0 GCAERN O=C(NC[C@]1(CCO)CCOC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000675608244 1200437594 /nfs/dbraw/zinc/43/75/94/1200437594.db2.gz RVLSVXUPPZQHJX-LPHOPBHVSA-N 0 0 396.509 0.993 10 0 GCAERN O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000675592943 1200439992 /nfs/dbraw/zinc/43/99/92/1200439992.db2.gz IXWKSRYNEFFPAN-IRXDYDNUSA-N 0 0 397.435 0.922 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)N1CCC(N2CCCCC2=O)CC1 ZINC000675652011 1200448832 /nfs/dbraw/zinc/44/88/32/1200448832.db2.gz MZGDKEBIXNAIHL-UHFFFAOYSA-N 0 0 386.518 0.599 10 0 GCAERN CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCC[C@@H]2COc3ccccc3O2)C1 ZINC000675842126 1200464899 /nfs/dbraw/zinc/46/48/99/1200464899.db2.gz WGPQGZUTGHOQHY-ZIAGYGMSSA-N 0 0 383.470 0.940 10 0 GCAERN O=C(Cn1cc(NC(=O)C(=O)N2CCCSCC2)cn1)NC1CCCC1 ZINC000676090476 1200492510 /nfs/dbraw/zinc/49/25/10/1200492510.db2.gz ZFIRQYMTMARFBT-UHFFFAOYSA-N 0 0 379.486 0.846 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1C ZINC000676259760 1200520361 /nfs/dbraw/zinc/52/03/61/1200520361.db2.gz AZECRDZPPAMFJX-RDJZCZTQSA-N 0 0 383.514 0.759 10 0 GCAERN CC(C)c1nnc2n1CCN(C(=O)C(=O)NCCN(C)CC(F)(F)F)[C@H]2C ZINC000804139128 1200550046 /nfs/dbraw/zinc/55/00/46/1200550046.db2.gz LFBCMHFPBGSYJD-NSHDSACASA-N 0 0 390.410 0.915 10 0 GCAERN O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)NC1(CCO)CCOCC1 ZINC000676446236 1200558502 /nfs/dbraw/zinc/55/85/02/1200558502.db2.gz TZZVEHOMPHCSPY-CQSZACIVSA-N 0 0 375.425 0.945 10 0 GCAERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000676452343 1200559772 /nfs/dbraw/zinc/55/97/72/1200559772.db2.gz TWOWHZMVZLQRBJ-CYBMUJFWSA-N 0 0 399.451 0.619 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000504654918 1200573630 /nfs/dbraw/zinc/57/36/30/1200573630.db2.gz MMDIUCUZFXYCKX-KRWDZBQOSA-N 0 0 390.509 0.368 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)N2C[C@H](NC(C)=O)Cc3ccccc32)cn1C ZINC000676635332 1200579931 /nfs/dbraw/zinc/57/99/31/1200579931.db2.gz BOXOIPOQSATHTJ-CQSZACIVSA-N 0 0 390.465 0.641 10 0 GCAERN O=C(c1cn(Cc2cccs2)nn1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000671586079 1200585046 /nfs/dbraw/zinc/58/50/46/1200585046.db2.gz ZVXJHLFWNFRLCS-DOMZBBRYSA-N 0 0 393.444 0.799 10 0 GCAERN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(C)CC2)c1 ZINC000072104446 1200590999 /nfs/dbraw/zinc/59/09/99/1200590999.db2.gz OXKTWOCXYVBHJS-UHFFFAOYSA-N 0 0 380.514 0.925 10 0 GCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000671631034 1200597776 /nfs/dbraw/zinc/59/77/76/1200597776.db2.gz QKQPPLBGTLEYSG-PGPWEFTKSA-N 0 0 392.500 0.746 10 0 GCAERN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@@H](C)O1 ZINC000544182283 1200610455 /nfs/dbraw/zinc/61/04/55/1200610455.db2.gz VVTLQJXLPYFOSH-CHWSQXEVSA-N 0 0 380.493 0.976 10 0 GCAERN CC(C)(C)c1nnc(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)s1 ZINC000374180628 1200670140 /nfs/dbraw/zinc/67/01/40/1200670140.db2.gz KXWLDCVYPVZQRM-UHFFFAOYSA-N 0 0 389.485 1.303 10 0 GCAERN CN1C(=O)N[C@@]2(CCN(C(=O)c3cccc(CNc4ccncn4)c3)C2)C1=O ZINC000557568863 1200670941 /nfs/dbraw/zinc/67/09/41/1200670941.db2.gz LOWUUTMJSTURPI-LJQANCHMSA-N 0 0 380.408 0.855 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)n1 ZINC000464014843 1200681062 /nfs/dbraw/zinc/68/10/62/1200681062.db2.gz ZPWAWSGPFDXQET-NSHDSACASA-N 0 0 388.403 1.032 10 0 GCAERN CNC(=O)Cn1nc(NC(=O)C(=O)N2CCCC[C@H]2c2cccn2C)cc1C ZINC000442209709 1200696639 /nfs/dbraw/zinc/69/66/39/1200696639.db2.gz PSYDETAVNLIMRA-HNNXBMFYSA-N 0 0 386.456 0.968 10 0 GCAERN CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cc1C ZINC000472944566 1200698241 /nfs/dbraw/zinc/69/82/41/1200698241.db2.gz VDZIFMPHEHUTSE-UWVGGRQHSA-N 0 0 375.351 0.675 10 0 GCAERN CC(C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)n1 ZINC000549390473 1200703989 /nfs/dbraw/zinc/70/39/89/1200703989.db2.gz AEASXOYXHWNUOQ-DOTOQJQBSA-N 0 0 392.500 1.552 10 0 GCAERN CC(C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)n1 ZINC000549390477 1200704337 /nfs/dbraw/zinc/70/43/37/1200704337.db2.gz AEASXOYXHWNUOQ-WBVHZDCISA-N 0 0 392.500 1.552 10 0 GCAERN CNC(=O)Cn1nc(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1C ZINC000560607932 1200705587 /nfs/dbraw/zinc/70/55/87/1200705587.db2.gz QUJFINMXPFLGIV-UHFFFAOYSA-N 0 0 397.435 1.343 10 0 GCAERN Cc1cc(Oc2ncccn2)ccc1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000466653151 1200714320 /nfs/dbraw/zinc/71/43/20/1200714320.db2.gz DYCKDCQCWKKZAW-UHFFFAOYSA-N 0 0 382.384 0.698 10 0 GCAERN O=C(CNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)NC1CCCCC1 ZINC000504453031 1200758416 /nfs/dbraw/zinc/75/84/16/1200758416.db2.gz JUHYFDMVQPFHSU-UHFFFAOYSA-N 0 0 384.440 0.830 10 0 GCAERN O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000549772557 1200760800 /nfs/dbraw/zinc/76/08/00/1200760800.db2.gz RVAAGYQQBFSWEA-HNNXBMFYSA-N 0 0 392.437 1.208 10 0 GCAERN Cc1cc(CN2CCN(C(=O)C(=O)Nc3ncn(C(C)(C)C)n3)CC2)no1 ZINC000544163609 1200762174 /nfs/dbraw/zinc/76/21/74/1200762174.db2.gz SGMVVBUNAVSFOD-UHFFFAOYSA-N 0 0 375.433 0.612 10 0 GCAERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000470617296 1200767467 /nfs/dbraw/zinc/76/74/67/1200767467.db2.gz GJSJSRAZFKHCKZ-NXEZZACHSA-N 0 0 387.362 0.623 10 0 GCAERN Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000543613548 1200778096 /nfs/dbraw/zinc/77/80/96/1200778096.db2.gz XKPKUUXPWYQVTI-INIZCTEOSA-N 0 0 390.484 0.146 10 0 GCAERN O=C(NCCCNc1ccc(C(F)(F)F)cn1)NC[C@@H](O)Cn1ccnn1 ZINC000457727344 1200791614 /nfs/dbraw/zinc/79/16/14/1200791614.db2.gz GSHNIHSSXWDYDU-GFCCVEGCSA-N 0 0 387.366 0.854 10 0 GCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)C1 ZINC000468836121 1200809658 /nfs/dbraw/zinc/80/96/58/1200809658.db2.gz CYEWJGQKLHXHKA-MRXNPFEDSA-N 0 0 398.467 0.977 10 0 GCAERN O=C(Nc1ccn(-c2ccccc2Cl)n1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000375238897 1200862483 /nfs/dbraw/zinc/86/24/83/1200862483.db2.gz SIHHKBNSHTWENM-ZDUSSCGKSA-N 0 0 389.843 1.007 10 0 GCAERN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000466684503 1200873060 /nfs/dbraw/zinc/87/30/60/1200873060.db2.gz WQLWRAZYNRKRIN-UHFFFAOYSA-N 0 0 387.444 0.501 10 0 GCAERN O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N[C@@H](CO)CC1CCCC1 ZINC000555292615 1200881739 /nfs/dbraw/zinc/88/17/39/1200881739.db2.gz RHSWTPZGGRPYPT-QGZVFWFLSA-N 0 0 385.468 1.517 10 0 GCAERN Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)cc1F ZINC000544176756 1200922817 /nfs/dbraw/zinc/92/28/17/1200922817.db2.gz QKOYODAVGBZOTE-UHFFFAOYSA-N 0 0 390.419 0.965 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccn(CCC(N)=O)n2)cc1C ZINC000605100328 1200948915 /nfs/dbraw/zinc/94/89/15/1200948915.db2.gz VYMDRBJGBMZESG-UHFFFAOYSA-N 0 0 393.469 0.635 10 0 GCAERN c1cnc(N2CCN(CCCNc3nccc(-c4cnccn4)n3)CC2)nc1 ZINC000450238890 1200951109 /nfs/dbraw/zinc/95/11/09/1200951109.db2.gz XCGPOLXRRWLLCW-UHFFFAOYSA-N 0 0 377.456 1.348 10 0 GCAERN COc1ccc(-c2nnc(NC(=O)NC[C@H](O)Cn3ccnn3)s2)cc1 ZINC000459513137 1200957530 /nfs/dbraw/zinc/95/75/30/1200957530.db2.gz RBOWVMDECRJMQQ-NSHDSACASA-N 0 0 375.414 0.988 10 0 GCAERN COc1ccc(Cn2ccc(NC(=O)[C@](C)(O)Cn3ccccc3=O)n2)cc1 ZINC000468447919 1200977262 /nfs/dbraw/zinc/97/72/62/1200977262.db2.gz HGDZAUAFGSZJHY-HXUWFJFHSA-N 0 0 382.420 1.491 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)[nH]1 ZINC000543660623 1200977515 /nfs/dbraw/zinc/97/75/15/1200977515.db2.gz AWSDPBQGPMSXOX-UHFFFAOYSA-N 0 0 386.395 0.578 10 0 GCAERN CC[C@@H](C)n1nc(NC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)cc1C ZINC000441669004 1200987949 /nfs/dbraw/zinc/98/79/49/1200987949.db2.gz RYPMKDILMABOFS-CYBMUJFWSA-N 0 0 393.488 1.197 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000625995916 1200998498 /nfs/dbraw/zinc/99/84/98/1200998498.db2.gz DGZZXOXDOWNECM-NSHDSACASA-N 0 0 394.438 0.891 10 0 GCAERN CC[C@H]1CN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@@H](CC)CN1C(C)=O ZINC000441257913 1201017646 /nfs/dbraw/zinc/01/76/46/1201017646.db2.gz PPBZTXWUAVEJMB-KBPBESRZSA-N 0 0 378.477 1.220 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccc2c(N)noc2c1 ZINC000627802705 1201085162 /nfs/dbraw/zinc/08/51/62/1201085162.db2.gz FTSAEMQPVSKNOW-UHFFFAOYSA-N 0 0 375.429 0.836 10 0 GCAERN CCOCc1nc([C@H](C)NC(=O)N2CCN(c3nc(N)ns3)CC2)no1 ZINC000462300237 1201102022 /nfs/dbraw/zinc/10/20/22/1201102022.db2.gz IJYHAWIXCAXNIJ-VIFPVBQESA-N 0 0 382.450 0.633 10 0 GCAERN CCO[C@@H]1C[C@](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)(C(=O)OC)C1(C)C ZINC000376233826 1201209377 /nfs/dbraw/zinc/20/93/77/1201209377.db2.gz WINFJXDESUMYKI-BVRBVLIYSA-N 0 0 378.429 0.626 10 0 GCAERN COC(=O)c1c(C)cccc1S(=O)(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000611024567 1201212336 /nfs/dbraw/zinc/21/23/36/1201212336.db2.gz FZDCVXGEQIFWOI-CQSZACIVSA-N 0 0 396.465 0.840 10 0 GCAERN COC(=O)c1ccccc1N(C)C(=O)CN1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000611431259 1201237886 /nfs/dbraw/zinc/23/78/86/1201237886.db2.gz FRCKIOUCKRLKKM-UHFFFAOYSA-N 0 0 386.456 0.680 10 0 GCAERN COC(=O)c1cccc([C@@H](C(=O)OC)N2CCN(Cc3nnc(C)[nH]3)CC2)c1 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CC[S@](=O)CCNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000735108905 1201675980 /nfs/dbraw/zinc/67/59/80/1201675980.db2.gz DVKAHCQHGWGWMF-VWLOTQADSA-N 0 0 398.510 0.231 10 0 GCAERN CC[S@](=O)CCNC(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1 ZINC000735092969 1201676160 /nfs/dbraw/zinc/67/61/60/1201676160.db2.gz UKEQIBNVKMRTIY-SANMLTNESA-N 0 0 385.486 0.730 10 0 GCAERN CC[S@](=O)CCNC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000735110540 1201678707 /nfs/dbraw/zinc/67/87/07/1201678707.db2.gz MLHXEXXKAMPQDY-MHZLTWQESA-N 0 0 392.525 0.672 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1 ZINC000735198924 1201682765 /nfs/dbraw/zinc/68/27/65/1201682765.db2.gz GNITZZIPKPUBGW-HHHXNRCGSA-N 0 0 395.481 0.897 10 0 GCAERN CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCC[S@@](=O)CC)c2ccccc2O1 ZINC000735201498 1201683190 /nfs/dbraw/zinc/68/31/90/1201683190.db2.gz PRVVBWGUXJSFDN-RXAIFQJESA-N 0 0 395.481 0.192 10 0 GCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000735199845 1201683301 /nfs/dbraw/zinc/68/33/01/1201683301.db2.gz PJRGBNKYWGXVDZ-VXLFJPSPSA-N 0 0 382.486 0.519 10 0 GCAERN CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCC[S@@](=O)CC)c2ccccc2O1 ZINC000735201497 1201683470 /nfs/dbraw/zinc/68/34/70/1201683470.db2.gz PRVVBWGUXJSFDN-QZXCRCNTSA-N 0 0 395.481 0.192 10 0 GCAERN Cn1ncc(I)c1CN1CCCN(S(C)(=O)=O)CC1 ZINC000826653204 1201686027 /nfs/dbraw/zinc/68/60/27/1201686027.db2.gz TVBWAWQCMGIMFC-UHFFFAOYSA-N 0 0 398.270 0.492 10 0 GCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000735478838 1201689285 /nfs/dbraw/zinc/68/92/85/1201689285.db2.gz JEIHNMIOKZAYQO-GDBMZVCRSA-N 0 0 377.514 0.630 10 0 GCAERN Cc1nnc(CN2CCN([C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)[nH]1 ZINC000735872778 1201703276 /nfs/dbraw/zinc/70/32/76/1201703276.db2.gz VWPPGTXCDZFQDK-LLVKDONJSA-N 0 0 384.444 0.840 10 0 GCAERN Cc1nnc(CN2CCN(CC(=O)Nc3ccccc3C(=O)NC3CC3)CC2)[nH]1 ZINC000735872561 1201703365 /nfs/dbraw/zinc/70/33/65/1201703365.db2.gz KPXXBSVSGCTIGB-UHFFFAOYSA-N 0 0 397.483 0.762 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)[nH]1 ZINC000735928732 1201705577 /nfs/dbraw/zinc/70/55/77/1201705577.db2.gz QDWASLZGKBGOST-AWEZNQCLSA-N 0 0 386.431 0.950 10 0 GCAERN CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C1CS(=O)(=O)C1 ZINC000827748300 1201707340 /nfs/dbraw/zinc/70/73/40/1201707340.db2.gz NSKDSIXUQGZRMD-NSHDSACASA-N 0 0 378.497 0.157 10 0 GCAERN O=C(N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000827771413 1201707710 /nfs/dbraw/zinc/70/77/10/1201707710.db2.gz WVULUIVZNFWGHA-FZMZJTMJSA-N 0 0 380.811 0.919 10 0 GCAERN O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000827770310 1201708326 /nfs/dbraw/zinc/70/83/26/1201708326.db2.gz HUEBXNYPUGPYMA-OAHLLOKOSA-N 0 0 377.416 0.957 10 0 GCAERN Cc1c(Br)c[nH]c(=O)c1C(=O)NCC12COCCN1CCOC2 ZINC000828136810 1201713986 /nfs/dbraw/zinc/71/39/86/1201713986.db2.gz GANXOXOQESGTDZ-UHFFFAOYSA-N 0 0 386.246 0.689 10 0 GCAERN Nc1ccc(C(=O)NCC23COCCN2CCOC3)cc1OC(F)(F)F ZINC000828152587 1201714695 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O=C(NC[C@H]1CCN(CC(F)(F)F)C1)C(=O)N1CCSC[C@@H]1CCO ZINC000671121262 530847207 /nfs/dbraw/zinc/84/72/07/530847207.db2.gz BYJPPUAOPAYDRD-NEPJUHHUSA-N 0 0 383.436 0.313 10 0 GCAERN O=C(CCNS(=O)(=O)c1cccs1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000172398843 530847270 /nfs/dbraw/zinc/84/72/70/530847270.db2.gz JYCVTXOGNIIGDJ-CYBMUJFWSA-N 0 0 383.499 0.947 10 0 GCAERN Cc1nnc([C@H]2CN(C(=O)Cn3cc(Br)ccc3=O)CCO2)[nH]1 ZINC000173088655 530847795 /nfs/dbraw/zinc/84/77/95/530847795.db2.gz DMLICXXSANOZRL-LLVKDONJSA-N 0 0 382.218 0.637 10 0 GCAERN O=C(CNC(=O)c1ccc(Br)o1)N1CC[C@H](N2CCOCC2)C1 ZINC000174037936 530848084 /nfs/dbraw/zinc/84/80/84/530848084.db2.gz INLKVXSZNVWFRK-NSHDSACASA-N 0 0 386.246 0.705 10 0 GCAERN Cc1nnc([C@@H]2CN(C(=O)Cn3cc(Br)ccc3=O)CCO2)[nH]1 ZINC000173088648 530848102 /nfs/dbraw/zinc/84/81/02/530848102.db2.gz DMLICXXSANOZRL-NSHDSACASA-N 0 0 382.218 0.637 10 0 GCAERN C[C@H]1CN(C(=O)c2nc3ncc(Br)cn3n2)C[C@H]1N1CCOCC1 ZINC000173865967 530848108 /nfs/dbraw/zinc/84/81/08/530848108.db2.gz 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Cn1nc(Br)cc1C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000192156304 530868636 /nfs/dbraw/zinc/86/86/36/530868636.db2.gz WXLWBOSWJSGIKU-JTQLQIEISA-N 0 0 391.291 0.823 10 0 GCAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2cnn(CC(F)(F)F)c2)cn1 ZINC000193309922 530869184 /nfs/dbraw/zinc/86/91/84/530869184.db2.gz NTRIWMZAMAUZGN-LBPRGKRZSA-N 0 0 378.380 0.514 10 0 GCAERN C[C@@H](CNC(=O)c1ccc(I)c(O)c1)S(N)(=O)=O ZINC000398270145 530869407 /nfs/dbraw/zinc/86/94/07/530869407.db2.gz ZZRAWOILPOKVQW-LURJTMIESA-N 0 0 384.195 0.404 10 0 GCAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1 ZINC000378549512 530839835 /nfs/dbraw/zinc/83/98/35/530839835.db2.gz MSURDFCXHQKJAT-UHFFFAOYSA-N 0 0 383.817 0.479 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)ncc1Br ZINC000193914297 530841355 /nfs/dbraw/zinc/84/13/55/530841355.db2.gz MFDDPJHVDSOMBK-LLVKDONJSA-N 0 0 385.262 0.616 10 0 GCAERN C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC[C@H]1O ZINC000494357194 530844128 /nfs/dbraw/zinc/84/41/28/530844128.db2.gz 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/nfs/dbraw/zinc/27/31/28/640273128.db2.gz IVKLTRDGQWXXHE-VIFPVBQESA-N 0 0 377.390 0.909 10 0 GCAERN COC(=O)/C(C)=C\COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000748186409 640323231 /nfs/dbraw/zinc/32/32/31/640323231.db2.gz QGHGDBXQDTWNEH-YWEYNIOJSA-N 0 0 399.201 0.555 10 0 GCAERN COC(=O)C[C@H](C)C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000750036927 640357296 /nfs/dbraw/zinc/35/72/96/640357296.db2.gz LXGRRYGGHMHCLW-VIFPVBQESA-N 0 0 375.374 0.910 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000751397642 640382144 /nfs/dbraw/zinc/38/21/44/640382144.db2.gz STDVWXUQQOMGJQ-RYUDHWBXSA-N 0 0 375.541 0.385 10 0 GCAERN CCOC(=O)[C@@H](CC1CC1)NS(=O)(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000751982021 640398778 /nfs/dbraw/zinc/39/87/78/640398778.db2.gz KFXXMUBISYNZIO-UONOGXRCSA-N 0 0 376.475 0.828 10 0 GCAERN CCOC(=O)[C@H](CC1CC1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000751983611 640398835 /nfs/dbraw/zinc/39/88/35/640398835.db2.gz YSDFUDIHRDGBDI-ZDUSSCGKSA-N 0 0 376.456 0.344 10 0 GCAERN CCOC(=O)[C@H](CC1CC1)NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000751980316 640398970 /nfs/dbraw/zinc/39/89/70/640398970.db2.gz DJFHICKCXWGTCM-AWEZNQCLSA-N 0 0 390.483 0.605 10 0 GCAERN CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NCC[S@@](=O)CC)ccc2O1 ZINC000751988381 640399541 /nfs/dbraw/zinc/39/95/41/640399541.db2.gz HFMZPJGUEYNWRQ-PSLXWICFSA-N 0 0 375.468 0.600 10 0 GCAERN O=S(=O)(NC[C@H](O)C(F)(F)F)c1ccccc1S(=O)(=O)C(F)F ZINC000805009945 640405853 /nfs/dbraw/zinc/40/58/53/640405853.db2.gz ZDNMAKLRTXGNNP-QMMMGPOBSA-N 0 0 383.316 0.884 10 0 GCAERN CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NCC[S@](=O)CC)CC1 ZINC000753141746 640422253 /nfs/dbraw/zinc/42/22/53/640422253.db2.gz ZNTVQJOJHDFAEU-XMMPIXPASA-N 0 0 396.579 0.449 10 0 GCAERN COCCN(C)S(=O)(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000753784760 640438397 /nfs/dbraw/zinc/43/83/97/640438397.db2.gz GFTNLLCXEAMSDH-CQSZACIVSA-N 0 0 379.523 0.884 10 0 GCAERN CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2CCOC[C@H]2CCO)CC1 ZINC000755896260 640477163 /nfs/dbraw/zinc/47/71/63/640477163.db2.gz BFWOXMCRDWPMMX-CQSZACIVSA-N 0 0 377.507 0.372 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)OC[C@@H](C)CS(C)(=O)=O)cc1 ZINC000757952605 640518315 /nfs/dbraw/zinc/51/83/15/640518315.db2.gz MIKPMBHOAPVADP-LLVKDONJSA-N 0 0 391.467 0.391 10 0 GCAERN COC(=O)/C(C)=C\COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000758088354 640521849 /nfs/dbraw/zinc/52/18/49/640521849.db2.gz JJWIBDORXWJDQP-PGJNLMOESA-N 0 0 391.829 0.642 10 0 GCAERN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OC(C)C)cc1 ZINC000758560211 640534643 /nfs/dbraw/zinc/53/46/43/640534643.db2.gz GTZCOAAIITZOJK-AWEZNQCLSA-N 0 0 390.483 0.699 10 0 GCAERN CC(C)(C)OC(=O)NCC1(C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000759043942 640542385 /nfs/dbraw/zinc/54/23/85/640542385.db2.gz ADLPVXSPSJZWHG-UHFFFAOYSA-N 0 0 375.491 0.833 10 0 GCAERN CC[S@](=O)CCNS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC ZINC000761274705 640590698 /nfs/dbraw/zinc/59/06/98/640590698.db2.gz WADMRXKWWMAQKL-QFIPXVFZSA-N 0 0 398.528 0.504 10 0 GCAERN O=C(CN1CCOC[C@@H]1CCO)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000762340101 640605985 /nfs/dbraw/zinc/60/59/85/640605985.db2.gz XENHNZUJSSPNLS-LBPRGKRZSA-N 0 0 378.397 0.705 10 0 GCAERN NC(=O)N[C@H]1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000762723301 640615339 /nfs/dbraw/zinc/61/53/39/640615339.db2.gz DAJPPOKGUANIMH-JTQLQIEISA-N 0 0 386.861 0.763 10 0 GCAERN CS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000762748483 640615386 /nfs/dbraw/zinc/61/53/86/640615386.db2.gz AIICEGAGMXZRHE-MRVPVSSYSA-N 0 0 390.259 0.735 10 0 GCAERN CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000763345357 640625798 /nfs/dbraw/zinc/62/57/98/640625798.db2.gz OGJAKGARZLEVNI-JTQLQIEISA-N 0 0 378.447 0.471 10 0 GCAERN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O)cc1 ZINC000763417287 640628515 /nfs/dbraw/zinc/62/85/15/640628515.db2.gz OAIOQDBUOJVIMU-UHFFFAOYSA-N 0 0 398.528 0.038 10 0 GCAERN CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000763416070 640628604 /nfs/dbraw/zinc/62/86/04/640628604.db2.gz FYIGFTFGVQHOOX-UHFFFAOYSA-N 0 0 389.499 0.321 10 0 GCAERN CN(C)C(=O)c1cccc(S(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O)c1 ZINC000763418114 640629347 /nfs/dbraw/zinc/62/93/47/640629347.db2.gz OMGWCGDOUQYULJ-UHFFFAOYSA-N 0 0 376.500 0.832 10 0 GCAERN CN(CC(C)(C)S(C)(=O)=O)C(=O)CCNS(=O)(=O)c1ccccc1F ZINC000763655757 640633301 /nfs/dbraw/zinc/63/33/01/640633301.db2.gz GAZNPPCWFSOGHP-UHFFFAOYSA-N 0 0 394.490 0.776 10 0 GCAERN CNc1ncc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)s1 ZINC000763829294 640635820 /nfs/dbraw/zinc/63/58/20/640635820.db2.gz UFUIJTSDKRRNFW-UHFFFAOYSA-N 0 0 381.483 0.795 10 0 GCAERN CN(CC(C)(C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000764176035 640640566 /nfs/dbraw/zinc/64/05/66/640640566.db2.gz PTZXLOCGHKHCJV-UHFFFAOYSA-N 0 0 397.540 0.753 10 0 GCAERN Cc1ccc(NC(=O)CN(C)CC(C)(C)S(C)(=O)=O)cc1S(N)(=O)=O ZINC000764444379 640646151 /nfs/dbraw/zinc/64/61/51/640646151.db2.gz QSOOUYMCPPJMCK-UHFFFAOYSA-N 0 0 391.515 0.336 10 0 GCAERN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)CC(C)(C)S(C)(=O)=O ZINC000764451997 640646617 /nfs/dbraw/zinc/64/66/17/640646617.db2.gz NWKCQXUGCYQFSD-UHFFFAOYSA-N 0 0 391.515 0.336 10 0 GCAERN CN1C[C@@H](OC(=O)CS(=O)(=O)c2cccc(Br)c2)CC1=O ZINC000764715848 640653161 /nfs/dbraw/zinc/65/31/61/640653161.db2.gz HZSRGRNPWJVWCB-JTQLQIEISA-N 0 0 376.228 0.997 10 0 GCAERN COC(=O)C(C)(C)[C@@H](NS(=O)(=O)CCS(C)(=O)=O)c1ccccc1 ZINC000765213670 640663479 /nfs/dbraw/zinc/66/34/79/640663479.db2.gz QNGIBGJGGVTKKO-ZDUSSCGKSA-N 0 0 377.484 0.891 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)NCCS(=O)(=O)CC2CC2)c(C)c1 ZINC000765231055 640664691 /nfs/dbraw/zinc/66/46/91/640664691.db2.gz SOASGPRFLBPYEX-UHFFFAOYSA-N 0 0 375.468 0.885 10 0 GCAERN CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCc2ccn(C)n2)cc1 ZINC000765734019 640678482 /nfs/dbraw/zinc/67/84/82/640678482.db2.gz IXOIHFUQAIQNSQ-UHFFFAOYSA-N 0 0 387.483 0.712 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCSC)C(=O)N(C)OC)c1 ZINC000766271087 640693358 /nfs/dbraw/zinc/69/33/58/640693358.db2.gz RRUBYKQVPHTEKD-ZDUSSCGKSA-N 0 0 389.499 0.466 10 0 GCAERN COc1cc(S(=O)(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)cnc1Cl ZINC000767843997 640736691 /nfs/dbraw/zinc/73/66/91/640736691.db2.gz IFJFSICNUPWEIB-UHFFFAOYSA-N 0 0 386.865 0.677 10 0 GCAERN C[C@@H]1CCCN1S(=O)(=O)NN=c1ccc(S(=O)(=O)N2CCCC2)c[nH]1 ZINC000769866922 640788573 /nfs/dbraw/zinc/78/85/73/640788573.db2.gz WJXBDZACKRNNTM-GFCCVEGCSA-N 0 0 389.503 0.512 10 0 GCAERN COc1c(F)cc(CC(=O)OCC(=O)c2cscn2)cc1S(N)(=O)=O ZINC000805401941 640799536 /nfs/dbraw/zinc/79/95/36/640799536.db2.gz QRAMIXNJOCNMFJ-UHFFFAOYSA-N 0 0 388.398 0.907 10 0 GCAERN C[C@@H]1CCCN1S(=O)(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000770243190 640800419 /nfs/dbraw/zinc/80/04/19/640800419.db2.gz FDAJOYYZJSCXSQ-SNVBAGLBSA-N 0 0 393.453 0.867 10 0 GCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000772144856 640838871 /nfs/dbraw/zinc/83/88/71/640838871.db2.gz YXNGQRZWWIYLLS-LLVKDONJSA-N 0 0 377.513 0.406 10 0 GCAERN C/C(=C\C(C)(C)C)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000772248059 640840578 /nfs/dbraw/zinc/84/05/78/640840578.db2.gz TYWPYWCHPRFVCZ-CMPYXILNSA-N 0 0 392.543 0.640 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000772570756 640845873 /nfs/dbraw/zinc/84/58/73/640845873.db2.gz XSMUTFSIIRIPJY-NSHDSACASA-N 0 0 377.513 0.372 10 0 GCAERN C=CC(=O)NCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000773260616 640860604 /nfs/dbraw/zinc/86/06/04/640860604.db2.gz GXTNMRLCVHHTOJ-UHFFFAOYSA-N 0 0 387.483 0.078 10 0 GCAERN NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(O)(c3ccc(F)cc3)C2)c1 ZINC000773304653 640861734 /nfs/dbraw/zinc/86/17/34/640861734.db2.gz ASRPIFZWOKDYJV-UHFFFAOYSA-N 0 0 386.426 0.365 10 0 GCAERN CC[S@@](=O)CCNS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000774768128 640895060 /nfs/dbraw/zinc/89/50/60/640895060.db2.gz WWIAPUULLJCQMN-HXUWFJFHSA-N 0 0 387.932 0.932 10 0 GCAERN COC(=O)c1cc(NC(=O)C(=O)NCC[S@](C)=O)ccc1Br ZINC000775157360 641067748 /nfs/dbraw/zinc/06/77/48/641067748.db2.gz SQNMJQCUDPOOTF-QFIPXVFZSA-N 0 0 391.243 0.669 10 0 GCAERN Cc1cc(CNC(=O)N(C)CC(C)(C)S(C)(=O)=O)ccc1S(N)(=O)=O ZINC000775222198 641073649 /nfs/dbraw/zinc/07/36/49/641073649.db2.gz JVMNCFFMRXEBOL-UHFFFAOYSA-N 0 0 391.515 0.607 10 0 GCAERN CCc1nsc(N2CCCN(C(=O)C(=O)NCC[S@](=O)CC)CC2)n1 ZINC000805611788 641165020 /nfs/dbraw/zinc/16/50/20/641165020.db2.gz ZGEJJXNKTPKZTQ-RUZDIDTESA-N 0 0 387.531 0.024 10 0 GCAERN CC[S@](=O)CCNC(=O)C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000805612134 641166779 /nfs/dbraw/zinc/16/67/79/641166779.db2.gz YIZXXPXNKLBUMG-YDBLSZJJSA-N 0 0 375.491 0.387 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc(Br)nn1C ZINC000861796318 641167447 /nfs/dbraw/zinc/16/74/47/641167447.db2.gz AKMJYCGIPOOAGD-UHFFFAOYSA-N 0 0 388.266 0.931 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000805613574 641169715 /nfs/dbraw/zinc/16/97/15/641169715.db2.gz DCLFAPKRBYWOPZ-RUZDIDTESA-N 0 0 375.491 0.341 10 0 GCAERN CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)NCC[S@](=O)CC)CC1 ZINC000805619120 641176133 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GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000626254035 1192295848 /nfs/dbraw/zinc/29/58/48/1192295848.db2.gz MDRMIQRGAKKEMQ-CQSZACIVSA-N 0 0 375.473 0.586 10 0 GCAERN C[C@@H](NC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1)C(=O)N(C)C ZINC000051562545 1192313493 /nfs/dbraw/zinc/31/34/93/1192313493.db2.gz PNRWRJWLXMMVKW-OAHLLOKOSA-N 0 0 396.919 0.929 10 0 GCAERN COC(=O)[C@@H]1C[C@H](O)CN1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000473188329 1192314741 /nfs/dbraw/zinc/31/47/41/1192314741.db2.gz FOUVRWSVUGXROZ-ZFWWWQNUSA-N 0 0 380.422 0.853 10 0 GCAERN Cn1nccc1CNC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000066699899 1192310255 /nfs/dbraw/zinc/31/02/55/1192310255.db2.gz BHGCJSWXZCXYBY-UHFFFAOYSA-N 0 0 388.447 0.816 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)cn1C ZINC000408237486 1192324694 /nfs/dbraw/zinc/32/46/94/1192324694.db2.gz NYOKLMBWOCMTNA-HIFRSBDPSA-N 0 0 383.470 0.486 10 0 GCAERN O=C(CN1CCN(S(=O)(=O)CC23CCC(CC2)C3)CC1)N1CCOCC1 ZINC000408238166 1192326371 /nfs/dbraw/zinc/32/63/71/1192326371.db2.gz WANAZCFMSGFKCI-UHFFFAOYSA-N 0 0 385.530 0.373 10 0 GCAERN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NC[C@@H]2CCc3nccn3C2)CC1 ZINC000278894796 1192339005 /nfs/dbraw/zinc/33/90/05/1192339005.db2.gz FBUNUGHLIKXTQX-SJORKVTESA-N 0 0 388.516 0.784 10 0 GCAERN CN(C1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1)S(C)(=O)=O ZINC000408256201 1192343163 /nfs/dbraw/zinc/34/31/63/1192343163.db2.gz VQGFEHABUOADGB-AWEZNQCLSA-N 0 0 398.533 0.454 10 0 GCAERN O=C(c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000408269489 1192350204 /nfs/dbraw/zinc/35/02/04/1192350204.db2.gz CGNMGLFHPSYOOG-MRXNPFEDSA-N 0 0 398.510 0.104 10 0 GCAERN CN(C(=O)Nc1ccc2c(c1)OCC(=O)N2)C1CCN(S(C)(=O)=O)CC1 ZINC000408274384 1192354852 /nfs/dbraw/zinc/35/48/52/1192354852.db2.gz KUAYPTAHCQJAQO-UHFFFAOYSA-N 0 0 382.442 0.905 10 0 GCAERN Cc1noc(CN2CCN(C(=O)CCNS(=O)(=O)c3ccccc3)CC2)n1 ZINC000585691211 1192372375 /nfs/dbraw/zinc/37/23/75/1192372375.db2.gz ZJPJWXYAOPOPKM-UHFFFAOYSA-N 0 0 393.469 0.391 10 0 GCAERN O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000512000408 1192372649 /nfs/dbraw/zinc/37/26/49/1192372649.db2.gz JJYXVIRRXTUFJE-JSGCOSHPSA-N 0 0 389.437 0.446 10 0 GCAERN Cc1noc(CN2CCN(C(=O)CCn3c4ccccc4n(C)c3=O)CC2)n1 ZINC000585691489 1192372796 /nfs/dbraw/zinc/37/27/96/1192372796.db2.gz FXBBLQNPANEFSM-UHFFFAOYSA-N 0 0 384.440 0.766 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCc2cc(C)ccc2OC)CC1 ZINC000585727944 1192397571 /nfs/dbraw/zinc/39/75/71/1192397571.db2.gz AQKDZAAUONGYTL-UHFFFAOYSA-N 0 0 391.468 0.716 10 0 GCAERN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCCN1CCCS1(=O)=O ZINC000585734991 1192400315 /nfs/dbraw/zinc/40/03/15/1192400315.db2.gz LBSBMVNFNVODFW-UHFFFAOYSA-N 0 0 393.469 0.707 10 0 GCAERN O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCCN1CCCS1(=O)=O ZINC000585738205 1192401512 /nfs/dbraw/zinc/40/15/12/1192401512.db2.gz RJXQUTGJCMBWPY-UHFFFAOYSA-N 0 0 378.454 0.810 10 0 GCAERN Cn1c2ccccc2n(CCC(=O)NCCCN2CCCS2(=O)=O)c1=O ZINC000585735659 1192401722 /nfs/dbraw/zinc/40/17/22/1192401722.db2.gz HTQTWKYNNFKALG-UHFFFAOYSA-N 0 0 380.470 0.272 10 0 GCAERN O=C(CCc1nc2ccccc2oc1=O)NCCCN1CCCS1(=O)=O ZINC000585736651 1192401823 /nfs/dbraw/zinc/40/18/23/1192401823.db2.gz QBSIIBVIWDOPSE-UHFFFAOYSA-N 0 0 379.438 0.662 10 0 GCAERN Cc1cccc2c(=O)n(CC(=O)NCCCN3CCCS3(=O)=O)cnc12 ZINC000585735569 1192401905 /nfs/dbraw/zinc/40/19/05/1192401905.db2.gz DVLYFNGMMRZUHT-UHFFFAOYSA-N 0 0 378.454 0.247 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000585735652 1192401908 /nfs/dbraw/zinc/40/19/08/1192401908.db2.gz HORPRFLDWXYCNX-UHFFFAOYSA-N 0 0 390.465 0.498 10 0 GCAERN C[C@@H](C(=O)NCCCN1CCCS1(=O)=O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000585738009 1192402261 /nfs/dbraw/zinc/40/22/61/1192402261.db2.gz JCZUUASIQNOCMT-MELADBBJSA-N 0 0 385.486 0.092 10 0 GCAERN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408313822 1192417465 /nfs/dbraw/zinc/41/74/65/1192417465.db2.gz NGLKNZBGUBPCNA-DZGCQCFKSA-N 0 0 393.362 0.128 10 0 GCAERN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279024472 1192440923 /nfs/dbraw/zinc/44/09/23/1192440923.db2.gz ASVJNVSDTBBVLF-RTWAWAEBSA-N 0 0 396.447 0.724 10 0 GCAERN CCOC(=O)[C@]1(COC)CCCN(C(=O)[C@](C)(O)Cn2ccccc2=O)C1 ZINC000467795863 1192444579 /nfs/dbraw/zinc/44/45/79/1192444579.db2.gz DKVBNGCWYKFCRU-RTBURBONSA-N 0 0 380.441 0.418 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)NCc1ccc(N2CCOCC2)nc1 ZINC000585821020 1192466646 /nfs/dbraw/zinc/46/66/46/1192466646.db2.gz NUUQNEKEAHYFDQ-UHFFFAOYSA-N 0 0 397.501 0.143 10 0 GCAERN CCc1c(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000408343460 1192471299 /nfs/dbraw/zinc/47/12/99/1192471299.db2.gz PSOKEXMVCBVNMP-QWRGUYRKSA-N 0 0 392.481 0.176 10 0 GCAERN CC1(C)CN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H]1C(F)(F)F ZINC000408351338 1192490097 /nfs/dbraw/zinc/49/00/97/1192490097.db2.gz ZPUKWZWPKFZUQE-WDEREUQCSA-N 0 0 399.435 0.910 10 0 GCAERN c1cnnc(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@@H]3CCOC3)CC2)c1 ZINC000549631681 1192490608 /nfs/dbraw/zinc/49/06/08/1192490608.db2.gz XWALKGDFHMZWEH-JKSUJKDBSA-N 0 0 385.472 0.935 10 0 GCAERN COc1c(F)cc(F)cc1NC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000473232579 1192513611 /nfs/dbraw/zinc/51/36/11/1192513611.db2.gz YEEDFDPVYGWWIF-CYBMUJFWSA-N 0 0 397.378 0.808 10 0 GCAERN C[C@@H]1CN(C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CCN1CCO ZINC000187255405 1192522078 /nfs/dbraw/zinc/52/20/78/1192522078.db2.gz MYAIFVBEUJOJBS-YLJYHZDGSA-N 0 0 396.491 0.948 10 0 GCAERN O=C(CN1CC[C@@](O)(C(F)(F)F)C1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000245419858 1192522493 /nfs/dbraw/zinc/52/24/93/1192522493.db2.gz HFGSSMRBUNZJCR-HIFRSBDPSA-N 0 0 398.447 0.944 10 0 GCAERN O=C(c1ccccc1)N1CSC[C@@H]1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279373503 1192533109 /nfs/dbraw/zinc/53/31/09/1192533109.db2.gz DZSBPLYTFUXJNE-FZKQIMNGSA-N 0 0 388.449 0.402 10 0 GCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000279509259 1192548085 /nfs/dbraw/zinc/54/80/85/1192548085.db2.gz HGOABMBNRUBXDG-MELADBBJSA-N 0 0 383.493 0.760 10 0 GCAERN CC(=O)N1CCN(c2ccccc2CNC(=O)N2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000279526315 1192552006 /nfs/dbraw/zinc/55/20/06/1192552006.db2.gz PWKMGROFPOAZAW-NRFANRHFSA-N 0 0 399.495 0.777 10 0 GCAERN COc1cccc(C[C@@H](C(=O)N2CC[C@]3(CNC(=O)C3)C2)n2nnnc2C)c1 ZINC000279591174 1192561369 /nfs/dbraw/zinc/56/13/69/1192561369.db2.gz UKLCUVDEXUCECP-LPHOPBHVSA-N 0 0 384.440 0.513 10 0 GCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCO[C@@]4(CCO[C@@H]4C)C3)C2=O)n(C)n1 ZINC000279599595 1192562477 /nfs/dbraw/zinc/56/24/77/1192562477.db2.gz SAOCOTTZFIHWGC-VCBZYWHSSA-N 0 0 391.472 0.813 10 0 GCAERN Cn1c2cc(O)c(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)cc2n(C)c1=O ZINC000408374864 1192570018 /nfs/dbraw/zinc/57/00/18/1192570018.db2.gz QIQLUXFMSRBSFC-SJCJKPOMSA-N 0 0 376.438 0.975 10 0 GCAERN C[C@H]1Cc2cc(C(=O)N3CCN(CCO)[C@H](C)C3)ccc2N1S(C)(=O)=O ZINC000408376648 1192572933 /nfs/dbraw/zinc/57/29/33/1192572933.db2.gz XKDUYAYCCDEMAO-UONOGXRCSA-N 0 0 381.498 0.536 10 0 GCAERN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000408380510 1192587204 /nfs/dbraw/zinc/58/72/04/1192587204.db2.gz AAXHIGARRCVYJZ-XFMPKHEZSA-N 0 0 381.498 0.845 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000617267057 1192589790 /nfs/dbraw/zinc/58/97/90/1192589790.db2.gz FFPWQLHLXUIIOK-CQSZACIVSA-N 0 0 391.453 0.308 10 0 GCAERN C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000512264840 1192590508 /nfs/dbraw/zinc/59/05/08/1192590508.db2.gz FKRGNEYUAINABT-LSDHHAIUSA-N 0 0 397.497 0.741 10 0 GCAERN CC(=O)N1CCCN(C(=O)C(=O)NCc2cn(C)nc2C(F)(F)F)CC1 ZINC000512503912 1192809671 /nfs/dbraw/zinc/80/96/71/1192809671.db2.gz NARXWXUWSUENTK-UHFFFAOYSA-N 0 0 375.351 0.136 10 0 GCAERN Cc1ccccc1Cc1nnc(N2CCO[C@H](C(N)=O)C2)n1C[C@H]1CCOC1 ZINC000549705663 1192858120 /nfs/dbraw/zinc/85/81/20/1192858120.db2.gz XPVUNSCKIOPNPF-WBVHZDCISA-N 0 0 385.468 0.904 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)NC)c(Cl)c2)C1 ZINC000473303589 1192860276 /nfs/dbraw/zinc/86/02/76/1192860276.db2.gz HQSIDHPXVNVFKN-NSHDSACASA-N 0 0 395.847 0.558 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000473309444 1192863309 /nfs/dbraw/zinc/86/33/09/1192863309.db2.gz UGQHJGATAAMBSP-JTQLQIEISA-N 0 0 381.820 0.297 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cc(CC(C)(C)C)nn2C)C1 ZINC000473316848 1192864565 /nfs/dbraw/zinc/86/45/65/1192864565.db2.gz GHBXTELOFCKOOF-LBPRGKRZSA-N 0 0 378.477 0.867 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)NC)c2C)C1 ZINC000473336098 1192868731 /nfs/dbraw/zinc/86/87/31/1192868731.db2.gz VRUKOKDXLKQVCE-GFCCVEGCSA-N 0 0 375.429 0.213 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 ZINC000473336083 1192869054 /nfs/dbraw/zinc/86/90/54/1192869054.db2.gz QDESBYCMNOTAJE-VIFPVBQESA-N 0 0 389.334 0.665 10 0 GCAERN NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000549772016 1192877235 /nfs/dbraw/zinc/87/72/35/1192877235.db2.gz 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CCn1nccc1S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000274529702 1184088276 /nfs/dbraw/zinc/08/82/76/1184088276.db2.gz YOUAYCXAOCBPNL-UHFFFAOYSA-N 0 0 392.437 0.778 10 0 GCAERN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@]3(CCOC3)C2)[C@H](C)O)cc1 ZINC000274568073 1184103010 /nfs/dbraw/zinc/10/30/10/1184103010.db2.gz QOCJTBYPBKLOKS-QILLFSRXSA-N 0 0 398.481 0.041 10 0 GCAERN CCO[C@@H](C)c1noc(CN2CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)n1 ZINC000329779581 1184104378 /nfs/dbraw/zinc/10/43/78/1184104378.db2.gz RCNDPXRJIMYFTQ-DZGCQCFKSA-N 0 0 379.461 0.822 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2F)[C@@H](C)C1 ZINC000784907706 1184138748 /nfs/dbraw/zinc/13/87/48/1184138748.db2.gz MXCXOFABBAUIRO-LBPRGKRZSA-N 0 0 390.415 0.970 10 0 GCAERN C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000064040344 1184211292 /nfs/dbraw/zinc/21/12/92/1184211292.db2.gz GAGZFQNUQYDSIU-NSHDSACASA-N 0 0 381.335 0.873 10 0 GCAERN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CCCO1 ZINC000274713560 1184213148 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ZINC000275757046 1185028117 /nfs/dbraw/zinc/02/81/17/1185028117.db2.gz RFYVOTAGYSCUSL-GDBMZVCRSA-N 0 0 398.471 0.231 10 0 GCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275786955 1185052941 /nfs/dbraw/zinc/05/29/41/1185052941.db2.gz SDJZOHSNFDIKCD-ZFWWWQNUSA-N 0 0 375.473 0.560 10 0 GCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(c4ccccn4)C3)C2)c1=O ZINC000275799394 1185076523 /nfs/dbraw/zinc/07/65/23/1185076523.db2.gz URGFEWJSAIZAES-CVEARBPZSA-N 0 0 397.483 0.722 10 0 GCAERN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2cnc(-c3cnn(C)c3)s2)CC1 ZINC000066372581 1185101454 /nfs/dbraw/zinc/10/14/54/1185101454.db2.gz FYBZXQSXUDLAAZ-LBPRGKRZSA-N 0 0 388.497 0.969 10 0 GCAERN COC(=O)/C(C)=C\COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O ZINC000748154464 1185109904 /nfs/dbraw/zinc/10/99/04/1185109904.db2.gz HBHNSYQTCSNTPV-QLLDGSJBSA-N 0 0 399.465 0.994 10 0 GCAERN O=C(NC[C@H](CO)[C@H]1CCOC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000580266096 1185134799 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GCAERN Cn1cc(/C=C/C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c(=O)n(C)c1=O ZINC000048957215 1185166875 /nfs/dbraw/zinc/16/68/75/1185166875.db2.gz BDVZNMCSKAMAIZ-DVQDXYAYSA-N 0 0 396.447 0.577 10 0 GCAERN CC(C)C(=O)N1CCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000275849337 1185181676 /nfs/dbraw/zinc/18/16/76/1185181676.db2.gz WVYFRJNWTQXPPY-IRXDYDNUSA-N 0 0 377.485 0.754 10 0 GCAERN COc1ccc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)cc1S(=O)(=O)N(C)C ZINC000683908786 1185201264 /nfs/dbraw/zinc/20/12/64/1185201264.db2.gz ABNHCZYXKCGAIE-HNNXBMFYSA-N 0 0 396.465 0.766 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000610440551 1185230723 /nfs/dbraw/zinc/23/07/23/1185230723.db2.gz YLFKOZRJFWAMQH-AWEZNQCLSA-N 0 0 384.454 0.777 10 0 GCAERN Cc1nc2ccccc2n1CCNC(=O)C(=O)NCc1nnc2ccccn21 ZINC000580457635 1185236296 /nfs/dbraw/zinc/23/62/96/1185236296.db2.gz CWVUPFJFKHTYHF-UHFFFAOYSA-N 0 0 377.408 0.820 10 0 GCAERN C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)cc2C1=O ZINC000050239988 1185238933 /nfs/dbraw/zinc/23/89/33/1185238933.db2.gz JLVRVEVZLILUEO-NSHDSACASA-N 0 0 387.392 0.218 10 0 GCAERN Cn1cc(-c2ccc(NC(=O)NCCCN3CCCS3(=O)=O)nn2)cn1 ZINC000683966568 1185257694 /nfs/dbraw/zinc/25/76/94/1185257694.db2.gz JGENRIQEBNIZIR-UHFFFAOYSA-N 0 0 379.446 0.424 10 0 GCAERN COCCN(C(=O)CN(C)CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000055059520 1185264904 /nfs/dbraw/zinc/26/49/04/1185264904.db2.gz NXOIFNPQPSFKCI-QGZVFWFLSA-N 0 0 386.489 0.962 10 0 GCAERN C[C@@H]1c2nncn2CCN1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000580610652 1185288238 /nfs/dbraw/zinc/28/82/38/1185288238.db2.gz SXTICWQXHWEEAP-CQSZACIVSA-N 0 0 375.477 0.309 10 0 GCAERN CC(=O)N1CCCc2cc(NC(=O)C(=O)N3CC[C@@]4(CNC(=O)C4)C3)ccc21 ZINC000684030142 1185306621 /nfs/dbraw/zinc/30/66/21/1185306621.db2.gz GUVMJKZUWPQELX-HXUWFJFHSA-N 0 0 384.436 0.663 10 0 GCAERN C[C@@H](CNC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)N1CCc2ccccc21 ZINC000580731233 1185317039 /nfs/dbraw/zinc/31/70/39/1185317039.db2.gz DRHOUHKULUYEIZ-YCRPNKLZSA-N 0 0 384.480 0.683 10 0 GCAERN C[C@H](CNC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1)N1CCc2ccccc21 ZINC000580731232 1185317411 /nfs/dbraw/zinc/31/74/11/1185317411.db2.gz DRHOUHKULUYEIZ-VFNWGFHPSA-N 0 0 384.480 0.683 10 0 GCAERN O=C(c1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000684079939 1185381828 /nfs/dbraw/zinc/38/18/28/1185381828.db2.gz RPVPJXKQYPKWHV-SFHVURJKSA-N 0 0 376.388 0.477 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)cn1C ZINC000548147108 1185428689 /nfs/dbraw/zinc/42/86/89/1185428689.db2.gz YRCFGBDDCSNMCP-OAHLLOKOSA-N 0 0 393.421 0.514 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000684125051 1185448223 /nfs/dbraw/zinc/44/82/23/1185448223.db2.gz ZQXUHGBITXSRSL-FOIQADDNSA-N 0 0 384.436 0.872 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000684125052 1185448474 /nfs/dbraw/zinc/44/84/74/1185448474.db2.gz ZQXUHGBITXSRSL-MGPUTAFESA-N 0 0 384.436 0.872 10 0 GCAERN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N[C@H]1CC(=O)N(C)C1=O ZINC000557843064 1185453302 /nfs/dbraw/zinc/45/33/02/1185453302.db2.gz IWJYBRHOIGCKIT-NSHDSACASA-N 0 0 381.410 0.079 10 0 GCAERN Cc1ccc(SCCNC(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000581184339 1185524233 /nfs/dbraw/zinc/52/42/33/1185524233.db2.gz KSNXVEASTPUGLT-GOSISDBHSA-N 0 0 376.482 0.877 10 0 GCAERN Cc1nc(Cn2cc(C(=O)N3CCNC(=O)C[C@H]3c3ccccc3)nn2)no1 ZINC000581225390 1185541055 /nfs/dbraw/zinc/54/10/55/1185541055.db2.gz UFZXSJYNCXYAJW-HNNXBMFYSA-N 0 0 381.396 0.721 10 0 GCAERN CN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000276082134 1185555506 /nfs/dbraw/zinc/55/55/06/1185555506.db2.gz VJYDRFMQKOBIEJ-CHWSQXEVSA-N 0 0 385.390 0.920 10 0 GCAERN CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)C12CCOCC2 ZINC000581278661 1185568535 /nfs/dbraw/zinc/56/85/35/1185568535.db2.gz VTYSALDDUXPTOK-BRWVUGGUSA-N 0 0 379.501 0.774 10 0 GCAERN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)C12CCOCC2 ZINC000581278664 1185568749 /nfs/dbraw/zinc/56/87/49/1185568749.db2.gz VTYSALDDUXPTOK-YESZJQIVSA-N 0 0 379.501 0.774 10 0 GCAERN C[C@@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1cn(-c2ccccc2)nn1 ZINC000255294441 1185607527 /nfs/dbraw/zinc/60/75/27/1185607527.db2.gz GGQZQCREPUCOQE-ASCRHOAZSA-N 0 0 380.408 0.555 10 0 GCAERN CCCCNC(=O)[C@H]1CCCN(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C1 ZINC000255313106 1185723938 /nfs/dbraw/zinc/72/39/38/1185723938.db2.gz MUXKSNSRPKACSQ-CKXPSTMWSA-N 0 0 376.457 0.252 10 0 GCAERN CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N3CC(C)(F)C3)c2)CC1 ZINC000684304749 1185755976 /nfs/dbraw/zinc/75/59/76/1185755976.db2.gz XFGMTEXCFUSWLM-UHFFFAOYSA-N 0 0 376.432 0.860 10 0 GCAERN C[C@@H](NC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)c1nnc2ccccn21 ZINC000276358278 1185762202 /nfs/dbraw/zinc/76/22/02/1185762202.db2.gz IDMAQKSAOGACPM-KGLIPLIRSA-N 0 0 396.455 0.852 10 0 GCAERN C[C@@H](NC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)c1nnc2ccccn21 ZINC000276358308 1185763323 /nfs/dbraw/zinc/76/33/23/1185763323.db2.gz IDMAQKSAOGACPM-ZIAGYGMSSA-N 0 0 396.455 0.852 10 0 GCAERN CO[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000471674272 1185783118 /nfs/dbraw/zinc/78/31/18/1185783118.db2.gz QJMYRAITYHEZEQ-UONOGXRCSA-N 0 0 383.470 0.350 10 0 GCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000255329497 1185793775 /nfs/dbraw/zinc/79/37/75/1185793775.db2.gz OAFDUHGGFUTNSZ-MRXNPFEDSA-N 0 0 388.516 0.455 10 0 GCAERN CC1(C)c2ccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2NC1=O ZINC000292787027 1185796019 /nfs/dbraw/zinc/79/60/19/1185796019.db2.gz NASHFXQMTAMXGM-CQSZACIVSA-N 0 0 391.493 0.861 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCCn1c2ccccc2oc1=O ZINC000581642979 1185806816 /nfs/dbraw/zinc/80/68/16/1185806816.db2.gz IBINTSGXKKIKSX-OLZOCXBDSA-N 0 0 391.424 0.947 10 0 GCAERN COC(=O)[C@H]1CN(C(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)CCO1 ZINC000610521317 1185809859 /nfs/dbraw/zinc/80/98/59/1185809859.db2.gz WJSQUEDGAWUYJZ-CQSZACIVSA-N 0 0 392.456 0.480 10 0 GCAERN Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCSC[C@H]2CCO)cc1F ZINC000581838625 1185909447 /nfs/dbraw/zinc/90/94/47/1185909447.db2.gz VUTZDFBSHZSFFE-CQSZACIVSA-N 0 0 397.472 0.307 10 0 GCAERN C[C@H]1CCSCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1=O ZINC000581851916 1185915315 /nfs/dbraw/zinc/91/53/15/1185915315.db2.gz JFSULUQNMXDIMF-STQMWFEESA-N 0 0 379.486 0.386 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(N(C)C)cc2)CC1 ZINC000276589276 1185917518 /nfs/dbraw/zinc/91/75/18/1185917518.db2.gz PROTVHZJAODLDC-UHFFFAOYSA-N 0 0 382.486 0.112 10 0 GCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000328833300 1185936614 /nfs/dbraw/zinc/93/66/14/1185936614.db2.gz LENSTFFEBLPJAH-RRFJBIMHSA-N 0 0 383.514 0.784 10 0 GCAERN CC(=O)N1CCc2sc(S(=O)(=O)N(C)[C@@H]3CCN4CCO[C@H]3C4)cc2C1 ZINC000656998297 1185963237 /nfs/dbraw/zinc/96/32/37/1185963237.db2.gz KOOJOTQJUIDNJD-CABCVRRESA-N 0 0 399.538 0.746 10 0 GCAERN CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@@H](CO)c3ccnn3C)cc21 ZINC000657010647 1185968838 /nfs/dbraw/zinc/96/88/38/1185968838.db2.gz LBZHKPLSSVBHBO-HNNXBMFYSA-N 0 0 378.454 0.731 10 0 GCAERN CCn1cc(CC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cn1 ZINC000548364021 1186004803 /nfs/dbraw/zinc/00/48/03/1186004803.db2.gz RVTGWQNOCOCWBK-UHFFFAOYSA-N 0 0 391.497 0.702 10 0 GCAERN COc1ccc(CCNC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1OC ZINC000581956940 1186007867 /nfs/dbraw/zinc/00/78/67/1186007867.db2.gz LMHOHYDMPRASPQ-AWEZNQCLSA-N 0 0 382.482 0.689 10 0 GCAERN C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CCCCC1=O ZINC000684492850 1186009105 /nfs/dbraw/zinc/00/91/05/1186009105.db2.gz HJGBDMBLPHFUHS-ZDUSSCGKSA-N 0 0 399.469 0.431 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000548389588 1186039631 /nfs/dbraw/zinc/03/96/31/1186039631.db2.gz MBORSCAVPBGGAQ-NRFANRHFSA-N 0 0 393.447 0.824 10 0 GCAERN CC[C@@H](NC(=O)N1CCN(C)[C@@H](c2nccn2C)C1)C(=O)N1CCOCC1 ZINC000276783551 1186056051 /nfs/dbraw/zinc/05/60/51/1186056051.db2.gz UZCFVUIMVCISNU-HUUCEWRRSA-N 0 0 378.477 0.056 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N[C@@](C)(CO)COC)cc1 ZINC000610584726 1186056252 /nfs/dbraw/zinc/05/62/52/1186056252.db2.gz SJIFYADUIQWCBP-XIKOKIGWSA-N 0 0 381.429 0.887 10 0 GCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@H](N4CCCC4=O)C3)C2=O)n(C)n1 ZINC000276805798 1186080496 /nfs/dbraw/zinc/08/04/96/1186080496.db2.gz FIKGNTKDFDIVCU-GJZGRUSLSA-N 0 0 388.472 0.630 10 0 GCAERN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[C@](C)(C(N)=O)C2)CCCC1 ZINC000684531913 1186084999 /nfs/dbraw/zinc/08/49/99/1186084999.db2.gz QAQRJQUWLFKZEZ-SFHVURJKSA-N 0 0 375.473 0.803 10 0 GCAERN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[C@@](C)(C(N)=O)C2)CCCC1 ZINC000684531907 1186085076 /nfs/dbraw/zinc/08/50/76/1186085076.db2.gz QAQRJQUWLFKZEZ-GOSISDBHSA-N 0 0 375.473 0.803 10 0 GCAERN O=C1N[C@@H](c2ccc3c(c2)CCO3)C(=O)N1CCCN1CCCS1(=O)=O ZINC000684547019 1186116524 /nfs/dbraw/zinc/11/65/24/1186116524.db2.gz HTRYGBNVTXJARP-HNNXBMFYSA-N 0 0 379.438 0.640 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)C1 ZINC000610765378 1186176636 /nfs/dbraw/zinc/17/66/36/1186176636.db2.gz JPEBPUSHJJGLJI-LLVKDONJSA-N 0 0 396.831 0.985 10 0 GCAERN CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c1 ZINC000535685148 1186199099 /nfs/dbraw/zinc/19/90/99/1186199099.db2.gz GTMKDYBMVJEPFA-UHFFFAOYSA-N 0 0 389.433 0.948 10 0 GCAERN NC(=O)N[C@H]1CCN(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)C1 ZINC000535704456 1186200135 /nfs/dbraw/zinc/20/01/35/1186200135.db2.gz IFAUVCBYPFSKHI-JKSUJKDBSA-N 0 0 389.456 0.548 10 0 GCAERN CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000535697833 1186200758 /nfs/dbraw/zinc/20/07/58/1186200758.db2.gz DBGLTZHKSQDVGH-AWEZNQCLSA-N 0 0 393.509 0.905 10 0 GCAERN CC(C)C[C@@H](C(=O)NC[C@H](O)Cn1ccnn1)N1C(=O)c2ccccc2C1=O ZINC000458122973 1186203558 /nfs/dbraw/zinc/20/35/58/1186203558.db2.gz HZDHRTQUDSYDOZ-BBRMVZONSA-N 0 0 385.424 0.466 10 0 GCAERN CCC(CC)C(=O)N1CCC(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000255417179 1186203791 /nfs/dbraw/zinc/20/37/91/1186203791.db2.gz UOISYBZSPPCPIJ-FPLPWBNLSA-N 0 0 390.484 0.641 10 0 GCAERN CC(C)C[C@H](C(=O)NC[C@@H](O)Cn1ccnn1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000458131013 1186205137 /nfs/dbraw/zinc/20/51/37/1186205137.db2.gz QQSGEXIKCNTZKM-LVQVYYBASA-N 0 0 389.456 0.121 10 0 GCAERN COc1ccc(-n2ccnc2SCC(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458135668 1186207214 /nfs/dbraw/zinc/20/72/14/1186207214.db2.gz KFOBRUOMKVYKKZ-CQSZACIVSA-N 0 0 388.453 0.742 10 0 GCAERN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)NC[C@H](O)Cn2ccnn2)s1 ZINC000458134943 1186207514 /nfs/dbraw/zinc/20/75/14/1186207514.db2.gz JYHQDUMPVFVRKO-JSGCOSHPSA-N 0 0 387.469 0.737 10 0 GCAERN COc1cccc([C@@H]2[C@H](C(=O)NC[C@@H](O)Cn3ccnn3)CC(=O)N2C2CC2)c1 ZINC000458139702 1186208252 /nfs/dbraw/zinc/20/82/52/1186208252.db2.gz NBILYQFVPISBCM-SZVBFZGTSA-N 0 0 399.451 0.516 10 0 GCAERN COc1cccc(-n2ccnc2SCC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458154779 1186209185 /nfs/dbraw/zinc/20/91/85/1186209185.db2.gz ZNZXMDYDEHBAML-CQSZACIVSA-N 0 0 388.453 0.742 10 0 GCAERN COC(=O)C(C)(C)[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1 ZINC000610829575 1186242567 /nfs/dbraw/zinc/24/25/67/1186242567.db2.gz PZAFVQOUEADTLI-OAHLLOKOSA-N 0 0 397.497 0.959 10 0 GCAERN COC(=O)C(C)(C)[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1 ZINC000610829574 1186242879 /nfs/dbraw/zinc/24/28/79/1186242879.db2.gz PZAFVQOUEADTLI-HNNXBMFYSA-N 0 0 397.497 0.959 10 0 GCAERN COC(=O)C(C)(C)[C@@H](NC(=O)Cn1ncn2nccc2c1=O)c1ccccc1 ZINC000610823484 1186244132 /nfs/dbraw/zinc/24/41/32/1186244132.db2.gz IIBSUPWDWAJMFC-INIZCTEOSA-N 0 0 383.408 0.948 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)NCc2nncn2-c2ccccc2)cn1C ZINC000181031878 1186245488 /nfs/dbraw/zinc/24/54/88/1186245488.db2.gz WZDSNKKKBPSVQT-UHFFFAOYSA-N 0 0 388.453 0.786 10 0 GCAERN CC(C)(C)NS(=O)(=O)CCNC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000548505508 1186273282 /nfs/dbraw/zinc/27/32/82/1186273282.db2.gz LMNNJOHHSQPCIM-UHFFFAOYSA-N 0 0 399.517 0.435 10 0 GCAERN CNC(=O)Cn1cnc(NC(=O)[C@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)n1 ZINC000150932401 1186277974 /nfs/dbraw/zinc/27/79/74/1186277974.db2.gz FORYYRJGNSRXAP-VIFPVBQESA-N 0 0 397.361 0.885 10 0 GCAERN Cn1ncc(NC(=O)C(=O)N(CCO)CCNC(=O)OC(C)(C)C)c1C1CC1 ZINC000785102027 1186290056 /nfs/dbraw/zinc/29/00/56/1186290056.db2.gz OXYFRMREAJQPGI-UHFFFAOYSA-N 0 0 395.460 0.582 10 0 GCAERN COc1ccc(NC(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)c(OC)n1 ZINC000684649400 1186297916 /nfs/dbraw/zinc/29/79/16/1186297916.db2.gz BJPBMQROSQUXAL-GOSISDBHSA-N 0 0 379.413 0.834 10 0 GCAERN CC1(C)CN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C[C@]2(CCOC2)O1 ZINC000684649870 1186299613 /nfs/dbraw/zinc/29/96/13/1186299613.db2.gz FEDQXHOKVHHETN-FQEVSTJZSA-N 0 0 387.436 0.708 10 0 GCAERN CC1(C)CN(C(=O)C(=O)Nc2cnc3c(c2)COCC3)C[C@@]2(CCOC2)O1 ZINC000684650845 1186299848 /nfs/dbraw/zinc/29/98/48/1186299848.db2.gz OQPZDKQGNGYRMT-LJQANCHMSA-N 0 0 375.425 0.889 10 0 GCAERN CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)C1CCCC1 ZINC000544015140 1186316901 /nfs/dbraw/zinc/31/69/01/1186316901.db2.gz NEYUCXJUYLCXTN-NVXWUHKLSA-N 0 0 375.473 0.722 10 0 GCAERN CO[C@@H]1CC[C@H](NC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)C1 ZINC000472063756 1186327559 /nfs/dbraw/zinc/32/75/59/1186327559.db2.gz PMPPZIHXMGMHHT-LSDHHAIUSA-N 0 0 385.486 0.666 10 0 GCAERN Cn1c(=O)c2cc(NC(=O)c3cccc(-n4cncn4)c3)cnc2n(C)c1=O ZINC000115323974 1186341309 /nfs/dbraw/zinc/34/13/09/1186341309.db2.gz ZFDJJXVWBSXROY-UHFFFAOYSA-N 0 0 377.364 0.465 10 0 GCAERN COc1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000548641074 1186365371 /nfs/dbraw/zinc/36/53/71/1186365371.db2.gz FFUOIUMHKCOXJF-ZDUSSCGKSA-N 0 0 397.497 0.275 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)C1 ZINC000472130103 1186368154 /nfs/dbraw/zinc/36/81/54/1186368154.db2.gz JVHBZIDDOHMOIW-JTQLQIEISA-N 0 0 393.835 0.858 10 0 GCAERN Cc1nnc([C@@H](C)NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[nH]1 ZINC000511057479 1186378237 /nfs/dbraw/zinc/37/82/37/1186378237.db2.gz LHHPIDPLWHRWFU-LLVKDONJSA-N 0 0 399.498 0.937 10 0 GCAERN CC(=O)N1CCN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)[C@H](C)C1 ZINC000582059372 1186388915 /nfs/dbraw/zinc/38/89/15/1186388915.db2.gz KBQLZJCLONCVAK-OCCSQVGLSA-N 0 0 381.454 0.484 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)N[C@H]2CC[C@@H](OC)C2)c1 ZINC000472159280 1186404814 /nfs/dbraw/zinc/40/48/14/1186404814.db2.gz RQLZTSAYXRJVTA-FPMFFAJLSA-N 0 0 398.485 0.788 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000472162687 1186411769 /nfs/dbraw/zinc/41/17/69/1186411769.db2.gz WBXLYTSAQNKLFM-AWEZNQCLSA-N 0 0 380.470 0.760 10 0 GCAERN CC(=O)N1CCc2ccc(S(=O)(=O)N3CCO[C@H]([C@H](C)O)C3)cc2CC1 ZINC000582132991 1186430066 /nfs/dbraw/zinc/43/00/66/1186430066.db2.gz FOFVMSDQIWRVIF-UGSOOPFHSA-N 0 0 382.482 0.404 10 0 GCAERN CCOC[C@H]1CCN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)C1 ZINC000564481075 1186446642 /nfs/dbraw/zinc/44/66/42/1186446642.db2.gz KCKMEHLHQYRLFA-HNNXBMFYSA-N 0 0 376.457 0.419 10 0 GCAERN O=C(CN1CCOCC1=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000548715332 1186479278 /nfs/dbraw/zinc/47/92/78/1186479278.db2.gz IHWPJYBWAHFEDZ-INIZCTEOSA-N 0 0 381.860 0.688 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000548716366 1186480700 /nfs/dbraw/zinc/48/07/00/1186480700.db2.gz GMPIZSBGAVKKAJ-OALUTQOASA-N 0 0 384.392 0.293 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1 ZINC000582280054 1186485604 /nfs/dbraw/zinc/48/56/04/1186485604.db2.gz QNKMXXCVUJIDEV-DJSGYFEHSA-N 0 0 393.465 0.293 10 0 GCAERN CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H]1CCN(C(N)=O)C1 ZINC000511097852 1186486700 /nfs/dbraw/zinc/48/67/00/1186486700.db2.gz GRGAWUIDGBYUTK-HUUCEWRRSA-N 0 0 379.436 0.919 10 0 GCAERN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CC[C@H](NC(N)=O)C3)cc12 ZINC000536527786 1186500044 /nfs/dbraw/zinc/50/00/44/1186500044.db2.gz ACPZOBCFXVJAGT-UWVGGRQHSA-N 0 0 378.458 0.331 10 0 GCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 ZINC000158432842 1186502699 /nfs/dbraw/zinc/50/26/99/1186502699.db2.gz LAZDGURKCLLMNS-GOSISDBHSA-N 0 0 385.468 0.785 10 0 GCAERN Cn1nccc1CC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000277571650 1186512489 /nfs/dbraw/zinc/51/24/89/1186512489.db2.gz JUYHSFBMGNUNIP-UHFFFAOYSA-N 0 0 377.470 0.537 10 0 GCAERN C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000375706902 1186534620 /nfs/dbraw/zinc/53/46/20/1186534620.db2.gz LADREZVAJXTTFX-GJZGRUSLSA-N 0 0 397.497 0.789 10 0 GCAERN C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1COc2ccccc21 ZINC000152619936 1186554024 /nfs/dbraw/zinc/55/40/24/1186554024.db2.gz HEERLOVWLOYHKR-DGCLKSJQSA-N 0 0 383.408 0.115 10 0 GCAERN Cn1cc(-c2nc([C@@H]3COCCN3C[C@@H](O)COC[C@H]3CCCO3)no2)cn1 ZINC000582505567 1186554664 /nfs/dbraw/zinc/55/46/64/1186554664.db2.gz SHGHKIWQSJSRSF-OAGGEKHMSA-N 0 0 393.444 0.400 10 0 GCAERN Cn1cc(-c2nc([C@@H]3COCCN3C[C@@H](O)COC[C@@H]3CCCO3)no2)cn1 ZINC000582505568 1186554874 /nfs/dbraw/zinc/55/48/74/1186554874.db2.gz SHGHKIWQSJSRSF-PMPSAXMXSA-N 0 0 393.444 0.400 10 0 GCAERN C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1COc2ccccc21 ZINC000152682833 1186561052 /nfs/dbraw/zinc/56/10/52/1186561052.db2.gz PIJMRYIFYMLMEF-YPMHNXCESA-N 0 0 383.408 0.115 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NC1CCN(CC(F)(F)F)CC1 ZINC000582571081 1186572007 /nfs/dbraw/zinc/57/20/07/1186572007.db2.gz WDUZFRMTVNDGIZ-GHMZBOCLSA-N 0 0 396.410 0.769 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccn(C)c2=O)CC1 ZINC000329089510 1186594065 /nfs/dbraw/zinc/59/40/65/1186594065.db2.gz ILZUQAFYEXLEFV-UHFFFAOYSA-N 0 0 394.453 0.527 10 0 GCAERN COC(=O)c1ccc(OCCNC(=O)NCCCN2CCCS2(=O)=O)cc1 ZINC000609420865 1186612617 /nfs/dbraw/zinc/61/26/17/1186612617.db2.gz WXOXTBDODYMFAO-UHFFFAOYSA-N 0 0 399.469 0.577 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000153106766 1186623778 /nfs/dbraw/zinc/62/37/78/1186623778.db2.gz GICAHZHUUQWAJZ-GFCCVEGCSA-N 0 0 383.383 0.619 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCC2(C)OCCCO2)c1 ZINC000277830298 1186628316 /nfs/dbraw/zinc/62/83/16/1186628316.db2.gz MHJIPCBTWAQNSW-UHFFFAOYSA-N 0 0 384.454 0.827 10 0 GCAERN Cn1cc(/C=C/C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)c(=O)n(C)c1=O ZINC000153303448 1186667948 /nfs/dbraw/zinc/66/79/48/1186667948.db2.gz ZTUNYLZFGIHSGK-FDMDGMSGSA-N 0 0 388.468 0.395 10 0 GCAERN CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375732921 1186701887 /nfs/dbraw/zinc/70/18/87/1186701887.db2.gz KTHUUPJYXMKGDT-GFCCVEGCSA-N 0 0 386.478 0.278 10 0 GCAERN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cnn(C)c3)CC2)cc1C ZINC000548776484 1186704885 /nfs/dbraw/zinc/70/48/85/1186704885.db2.gz AXOMWSXLJQGRKP-UHFFFAOYSA-N 0 0 392.481 0.949 10 0 GCAERN COc1cccc(C[S@](=O)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC000120700578 1186719652 /nfs/dbraw/zinc/71/96/52/1186719652.db2.gz CEUXSPPROYFDOE-MHZLTWQESA-N 0 0 390.465 0.781 10 0 GCAERN Cn1cnc2c1c(=O)n(CC(=O)N1CCO[C@@H](c3ccsc3)C1)c(=O)n2C ZINC000121221608 1186732555 /nfs/dbraw/zinc/73/25/55/1186732555.db2.gz WBFAJCFRYXCZCH-GFCCVEGCSA-N 0 0 389.437 0.095 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000126135465 1186756841 /nfs/dbraw/zinc/75/68/41/1186756841.db2.gz RKAONTWDEKOMNZ-AWEZNQCLSA-N 0 0 384.436 0.597 10 0 GCAERN Cc1cc(=O)c(C(=O)Nc2cn(C)c(=O)n(C)c2=O)nn1-c1ccccc1F ZINC000150741498 1186768326 /nfs/dbraw/zinc/76/83/26/1186768326.db2.gz HCRKTUFTZHDZQU-UHFFFAOYSA-N 0 0 385.355 0.330 10 0 GCAERN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000150743679 1186768524 /nfs/dbraw/zinc/76/85/24/1186768524.db2.gz FRHVITMWFYPESC-UHFFFAOYSA-N 0 0 397.439 0.475 10 0 GCAERN O=C(Nc1cnn(-c2ncccn2)c1)C(=O)N1CCCN(CC(F)F)CC1 ZINC000154036193 1186779731 /nfs/dbraw/zinc/77/97/31/1186779731.db2.gz KQFLRFBOMLYZNX-UHFFFAOYSA-N 0 0 379.371 0.400 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000583165207 1186786302 /nfs/dbraw/zinc/78/63/02/1186786302.db2.gz MHUNZFGXWSBTNF-AWEZNQCLSA-N 0 0 397.501 0.540 10 0 GCAERN CN(CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)S(=O)(=O)c1ccccc1 ZINC000154327763 1186787732 /nfs/dbraw/zinc/78/77/32/1186787732.db2.gz YEMHFLPCEFSHRX-OAHLLOKOSA-N 0 0 391.497 0.826 10 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1186809690 /nfs/dbraw/zinc/80/96/90/1186809690.db2.gz VLJWQBICQNWFOH-LLVKDONJSA-N 0 0 376.380 0.900 10 0 GCAERN CN(CCS(C)(=O)=O)CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O ZINC000728560059 1186815381 /nfs/dbraw/zinc/81/53/81/1186815381.db2.gz GHCKTXVNKQWCEX-AWEZNQCLSA-N 0 0 393.387 0.930 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccnn3C)CC2)cc1 ZINC000278196143 1186823862 /nfs/dbraw/zinc/82/38/62/1186823862.db2.gz GWCLILWYDZIOTK-UHFFFAOYSA-N 0 0 390.465 0.698 10 0 GCAERN Cc1cnn(Cc2cc(C(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)no2)c1 ZINC000155764905 1186828228 /nfs/dbraw/zinc/82/82/28/1186828228.db2.gz MXZUHJBIHPGMEH-UHFFFAOYSA-N 0 0 393.469 0.914 10 0 GCAERN CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127381647 1186863851 /nfs/dbraw/zinc/86/38/51/1186863851.db2.gz RRCDEHNXWJQNDV-VQIMIIECSA-N 0 0 396.438 0.859 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)[C@@H](C)C1 ZINC000583526269 1186880047 /nfs/dbraw/zinc/88/00/47/1186880047.db2.gz 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1186944797 /nfs/dbraw/zinc/94/47/97/1186944797.db2.gz QMRYQOJXNGFLLO-UHFFFAOYSA-N 0 0 396.513 0.768 10 0 GCAERN O=C(NC[C@H](O)Cn1ccnn1)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000458714740 1186956790 /nfs/dbraw/zinc/95/67/90/1186956790.db2.gz QNQXUVODFXSKSV-IRXDYDNUSA-N 0 0 390.513 0.556 10 0 GCAERN Cn1cc(/C=C/C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c(=O)n(C)c1=O ZINC000158191740 1186963606 /nfs/dbraw/zinc/96/36/06/1186963606.db2.gz ZALFZLYGHDSYSH-CQQBXOTJSA-N 0 0 381.432 0.798 10 0 GCAERN O=C(NC[C@H](O)Cn1ccnn1)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000458735737 1186968535 /nfs/dbraw/zinc/96/85/35/1186968535.db2.gz VDEKOPNRUIKKDI-SCTDSRPQSA-N 0 0 391.447 0.851 10 0 GCAERN CCc1n[nH]cc1C(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000785171646 1186974899 /nfs/dbraw/zinc/97/48/99/1186974899.db2.gz BCXCISCDOYOMLG-OLZOCXBDSA-N 0 0 399.469 0.324 10 0 GCAERN Cn1ncc2c1ncn(CC(=O)NCCOc1ncccc1C(F)(F)F)c2=O ZINC000151357387 1186977849 /nfs/dbraw/zinc/97/78/49/1186977849.db2.gz VGPLOJFNSOFPKG-UHFFFAOYSA-N 0 0 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377.489 0.935 10 0 GCAERN COCCNC(=O)c1ccc(N2CCC[C@H](C(=O)N3CCOCC3)C2)nc1 ZINC000612900941 1187615608 /nfs/dbraw/zinc/61/56/08/1187615608.db2.gz OSCBSQYQIJSMJB-INIZCTEOSA-N 0 0 376.457 0.533 10 0 GCAERN C[C@@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)N1CCCCC1=O ZINC000548982924 1187653769 /nfs/dbraw/zinc/65/37/69/1187653769.db2.gz FESGBVLKYCURNQ-NSHDSACASA-N 0 0 379.438 0.592 10 0 GCAERN COC(=O)c1cncc(S(=O)(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000548984309 1187657730 /nfs/dbraw/zinc/65/77/30/1187657730.db2.gz IXMWFPZWCFINGB-IUODEOHRSA-N 0 0 384.454 0.714 10 0 GCAERN CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](OC)C2)cc1 ZINC000472500280 1187659691 /nfs/dbraw/zinc/65/96/91/1187659691.db2.gz MQGMWQKIMAKEQN-KBPBESRZSA-N 0 0 383.470 0.997 10 0 GCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)C1 ZINC000472504323 1187662502 /nfs/dbraw/zinc/66/25/02/1187662502.db2.gz RWIKJXSTDXXPIZ-JSGCOSHPSA-N 0 0 393.415 0.920 10 0 GCAERN 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1187692164 /nfs/dbraw/zinc/69/21/64/1187692164.db2.gz OMMUMIPHHPRSDT-UHFFFAOYSA-N 0 0 396.469 0.004 10 0 GCAERN C#CCN(CC(=O)NCC(=O)Nc1ccccc1CC)[C@H]1CCS(=O)(=O)C1 ZINC000066537543 1187726953 /nfs/dbraw/zinc/72/69/53/1187726953.db2.gz OFJCENBNWQOPPF-INIZCTEOSA-N 0 0 391.493 0.426 10 0 GCAERN C#CCN(CC(=O)N1CCN(Cc2ccco2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000066537649 1187727083 /nfs/dbraw/zinc/72/70/83/1187727083.db2.gz XQQYAMHOOLQPJW-MRXNPFEDSA-N 0 0 379.482 0.046 10 0 GCAERN CS(=O)(=O)N1CC[C@@H](CNC(=O)NCC[C@H]2COc3ccccc3O2)C1 ZINC000549021894 1187751541 /nfs/dbraw/zinc/75/15/41/1187751541.db2.gz NUYWQGOIFHVINF-KBPBESRZSA-N 0 0 383.470 0.797 10 0 GCAERN Cn1cc(/C=C\C(=O)NCc2cccc(CN3CCCC3=O)c2)c(=O)n(C)c1=O ZINC000255889322 1187753306 /nfs/dbraw/zinc/75/33/06/1187753306.db2.gz DDFHEGLDSBJOKL-HJWRWDBZSA-N 0 0 396.447 0.536 10 0 GCAERN COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)CN1CC(=O)N(C)C1 ZINC000462358222 1187759579 /nfs/dbraw/zinc/75/95/79/1187759579.db2.gz VXUQHBJVODKODP-UHFFFAOYSA-N 0 0 376.457 0.448 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/nfs/dbraw/zinc/15/31/94/1195153194.db2.gz XENGBSLUEDNETL-HNNXBMFYSA-N 0 0 391.472 0.457 10 0 GCAERN CC(=O)N1CCN(c2ccccc2CNC(=O)c2cccnc2C(N)=O)CC1 ZINC000425915609 1195167334 /nfs/dbraw/zinc/16/73/34/1195167334.db2.gz KDHJBTVUDMACCP-UHFFFAOYSA-N 0 0 381.436 0.779 10 0 GCAERN COc1ccc(NC(=O)N2CCN(Cc3nc(C)no3)CC2)cc1-n1cnnn1 ZINC000438444046 1195218323 /nfs/dbraw/zinc/21/83/23/1195218323.db2.gz OQQQJMCJHRTVRL-UHFFFAOYSA-N 0 0 399.415 0.712 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000518024637 1195238438 /nfs/dbraw/zinc/23/84/38/1195238438.db2.gz LRNKEFIWFUPYBC-WFASDCNBSA-N 0 0 395.481 0.670 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000518026357 1195239953 /nfs/dbraw/zinc/23/99/53/1195239953.db2.gz XKCPKFODFKJXGO-IUODEOHRSA-N 0 0 395.481 0.670 10 0 GCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)C1 ZINC000438788865 1195249545 /nfs/dbraw/zinc/24/95/45/1195249545.db2.gz GUECIAPUSRVQPO-ZDUSSCGKSA-N 0 0 392.431 0.983 10 0 GCAERN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000518156271 1195256277 /nfs/dbraw/zinc/25/62/77/1195256277.db2.gz YVDAOBQNKGAPEF-SOLBZPMBSA-N 0 0 396.509 0.800 10 0 GCAERN COc1cccc(CCNC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)n1 ZINC000506409972 1195260756 /nfs/dbraw/zinc/26/07/56/1195260756.db2.gz OLFSIYDFDDBTLW-CYBMUJFWSA-N 0 0 399.494 0.828 10 0 GCAERN COC[C@](C)(NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C)C(F)(F)F ZINC000438926847 1195271399 /nfs/dbraw/zinc/27/13/99/1195271399.db2.gz ODMQUXBMLDWPOR-HNNXBMFYSA-N 0 0 388.346 0.638 10 0 GCAERN CN(C)c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)cn1 ZINC000518285107 1195274716 /nfs/dbraw/zinc/27/47/16/1195274716.db2.gz FUGFYRZLGCUOKW-UHFFFAOYSA-N 0 0 385.409 0.811 10 0 GCAERN CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 ZINC000506465704 1195278223 /nfs/dbraw/zinc/27/82/23/1195278223.db2.gz AECKWLPOYBVMJI-HNNXBMFYSA-N 0 0 393.465 0.788 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000506522063 1195298843 /nfs/dbraw/zinc/29/88/43/1195298843.db2.gz FXVUZQWBQJFUIJ-GFCCVEGCSA-N 0 0 381.454 0.247 10 0 GCAERN O=C(CNC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)NCCO ZINC000439243752 1195300885 /nfs/dbraw/zinc/30/08/85/1195300885.db2.gz FVXOLOMWPOWFEA-UHFFFAOYSA-N 0 0 397.737 0.444 10 0 GCAERN CC(=O)N1CCCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn32)CC1 ZINC000518685217 1195319088 /nfs/dbraw/zinc/31/90/88/1195319088.db2.gz LHTFDWBVDKAMOT-UHFFFAOYSA-N 0 0 396.407 0.783 10 0 GCAERN CCOC(=O)CCN1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506611565 1195330291 /nfs/dbraw/zinc/33/02/91/1195330291.db2.gz DDOZHXBQMLUUGU-MRXNPFEDSA-N 0 0 377.489 0.795 10 0 GCAERN CC[C@@H](O)CN1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000544294142 1195338063 /nfs/dbraw/zinc/33/80/63/1195338063.db2.gz UGBQMMRZVCLBKJ-GOSISDBHSA-N 0 0 395.548 0.029 10 0 GCAERN CNS(=O)(=O)c1ccc(N[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)nc1 ZINC000518866378 1195340701 /nfs/dbraw/zinc/34/07/01/1195340701.db2.gz NCIFVDMHPVWTMH-CJNGLKHVSA-N 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ZINC000440230407 1195394531 /nfs/dbraw/zinc/39/45/31/1195394531.db2.gz VPHSURAUWYMHEU-UHFFFAOYSA-N 0 0 376.438 0.977 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)CCc2nc(C(C)(C)C)no2)CC1 ZINC000519359398 1195395087 /nfs/dbraw/zinc/39/50/87/1195395087.db2.gz UKWNZYWUUYMUIW-UHFFFAOYSA-N 0 0 379.461 0.497 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)n(-c2ccccc2C)n1 ZINC000440262497 1195396764 /nfs/dbraw/zinc/39/67/64/1195396764.db2.gz CAQKLNVSXWGNAN-CYBMUJFWSA-N 0 0 391.453 0.317 10 0 GCAERN CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000440268985 1195398976 /nfs/dbraw/zinc/39/89/76/1195398976.db2.gz OIUOIJFHFCUOBW-LLVKDONJSA-N 0 0 397.453 0.470 10 0 GCAERN CN1C(=O)N[C@@]2(CCN(C(=O)[C@H]3CSCN3C(=O)c3ccccc3)C2)C1=O ZINC000299698125 1195410443 /nfs/dbraw/zinc/41/04/43/1195410443.db2.gz WBNGWXOJPSGKJF-FZKQIMNGSA-N 0 0 388.449 0.354 10 0 GCAERN O=C(CC1(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CCCC1)N1CCOCC1 ZINC000329414763 1195417870 /nfs/dbraw/zinc/41/78/70/1195417870.db2.gz FCKGEPVSIMDEOC-CYBMUJFWSA-N 0 0 378.429 0.399 10 0 GCAERN Cc1ccc2c(CCNC(=O)C(=O)Nc3cnn(CC(N)=O)c3)cn(C)c2c1 ZINC000187614232 1195420112 /nfs/dbraw/zinc/42/01/12/1195420112.db2.gz HBRRADJCDYNGGF-UHFFFAOYSA-N 0 0 382.424 0.466 10 0 GCAERN C[C@H](NC(=O)CNC(=O)CN1CCN(CCO)[C@@H](C)C1)c1ccc(F)cc1 ZINC000187705034 1195421228 /nfs/dbraw/zinc/42/12/28/1195421228.db2.gz RGTFVFQLIDNISY-GJZGRUSLSA-N 0 0 380.464 0.118 10 0 GCAERN CN(C)c1ncc(NC(=O)C(=O)N2CCN(CC(F)(F)C(F)F)CC2)cn1 ZINC000164089764 1195421587 /nfs/dbraw/zinc/42/15/87/1195421587.db2.gz URAZFARHSYBOQJ-UHFFFAOYSA-N 0 0 392.357 0.526 10 0 GCAERN CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000053154830 1195422840 /nfs/dbraw/zinc/42/28/40/1195422840.db2.gz LVKOGGSFGPNEBP-LBPRGKRZSA-N 0 0 387.408 0.422 10 0 GCAERN CSc1nnnn1-c1cccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000473646614 1195430134 /nfs/dbraw/zinc/43/01/34/1195430134.db2.gz WEBUAIFIDXDCDA-ZDUSSCGKSA-N 0 0 391.457 0.489 10 0 GCAERN c1nnnn1C1(Cc2nc([C@H]3CN4CCCC[C@H]4CO3)no2)CCOCC1 ZINC000664817297 1195430141 /nfs/dbraw/zinc/43/01/41/1195430141.db2.gz BXCNPBLYNALMNO-UONOGXRCSA-N 0 0 375.433 0.730 10 0 GCAERN CCCNC(=O)CN1CCC(NC(=O)NCc2cccnc2N(C)C)CC1 ZINC000049158192 1195440895 /nfs/dbraw/zinc/44/08/95/1195440895.db2.gz FDKYBRRWZXIWHF-UHFFFAOYSA-N 0 0 376.505 0.937 10 0 GCAERN CCCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000473694426 1195444241 /nfs/dbraw/zinc/44/42/41/1195444241.db2.gz LLYGAFZLUHVBJJ-OAHLLOKOSA-N 0 0 398.485 0.943 10 0 GCAERN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000473713051 1195447821 /nfs/dbraw/zinc/44/78/21/1195447821.db2.gz GCPLJKNEFUTTKE-OAHLLOKOSA-N 0 0 392.456 0.892 10 0 GCAERN COC(=O)c1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1C(=O)OC ZINC000473715918 1195448619 /nfs/dbraw/zinc/44/86/19/1195448619.db2.gz MATBUVJFZWWSQU-AWEZNQCLSA-N 0 0 393.396 0.365 10 0 GCAERN Cc1noc(CN2CCN(C(=O)CNC(=O)c3ccc(F)c(F)c3)CC2)n1 ZINC000101670283 1195453889 /nfs/dbraw/zinc/45/38/89/1195453889.db2.gz QDZWXAVMKJRGFM-UHFFFAOYSA-N 0 0 379.367 0.730 10 0 GCAERN Cc1ccnc(N2CCN(C(=O)C(=O)NCc3nnc4ccccn43)CC2)c1 ZINC000550192597 1195457054 /nfs/dbraw/zinc/45/70/54/1195457054.db2.gz HAUOHAPQGVNMEC-UHFFFAOYSA-N 0 0 379.424 0.398 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000550192470 1195457139 /nfs/dbraw/zinc/45/71/39/1195457139.db2.gz FWVCQXYOXVUDKY-OAHLLOKOSA-N 0 0 392.419 0.435 10 0 GCAERN Cc1nc(CN2CCN(C(=O)C(=O)NCc3nnc4ccccn43)CC2)oc1C ZINC000550192461 1195457244 /nfs/dbraw/zinc/45/72/44/1195457244.db2.gz FPWBTVWTJKSAOV-UHFFFAOYSA-N 0 0 397.439 0.295 10 0 GCAERN CCO[C@H]1C[C@H](NC(=O)C(=O)NCc2nnc3ccccn32)C12CCOCC2 ZINC000550185519 1195457799 /nfs/dbraw/zinc/45/77/99/1195457799.db2.gz UGLQECQEHZXIMW-KBPBESRZSA-N 0 0 387.440 0.436 10 0 GCAERN O=C(NCCc1ccc(-n2cccn2)cc1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000550215242 1195462526 /nfs/dbraw/zinc/46/25/26/1195462526.db2.gz PRLDUHFCKAYJGE-GOSISDBHSA-N 0 0 383.452 0.074 10 0 GCAERN O=C(NCCc1ccc(-n2cccn2)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000550216843 1195463682 /nfs/dbraw/zinc/46/36/82/1195463682.db2.gz SBRHVNSLNGQEMQ-HNNXBMFYSA-N 0 0 379.424 0.254 10 0 GCAERN CC(=O)N(C)c1cccc(NC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)c1 ZINC000626418130 1195471341 /nfs/dbraw/zinc/47/13/41/1195471341.db2.gz XQBHVZPYAMWQED-HNNXBMFYSA-N 0 0 384.458 0.451 10 0 GCAERN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(=O)[nH]c4)CC3)C2=O)n(C)n1 ZINC000506879295 1195476994 /nfs/dbraw/zinc/47/69/94/1195476994.db2.gz YKLDLDOSCSDAIB-MRXNPFEDSA-N 0 0 398.467 0.783 10 0 GCAERN CCCn1c(CO)nnc1S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000506961962 1195482470 /nfs/dbraw/zinc/48/24/70/1195482470.db2.gz UFIKILDXCQRLFB-UHFFFAOYSA-N 0 0 382.398 0.322 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000507280328 1195508752 /nfs/dbraw/zinc/50/87/52/1195508752.db2.gz CONFIHNPTDKNDC-NEPJUHHUSA-N 0 0 381.454 0.245 10 0 GCAERN Cc1nc(S(=O)(=O)NCCC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cn1C ZINC000473858433 1195529321 /nfs/dbraw/zinc/52/93/21/1195529321.db2.gz QWLKVOJSFWHAHC-LBPRGKRZSA-N 0 0 382.446 0.610 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000427494955 1195543862 /nfs/dbraw/zinc/54/38/62/1195543862.db2.gz AKJYWAGCUKVSIR-CQSZACIVSA-N 0 0 397.497 0.083 10 0 GCAERN Cc1c(NC(=O)C(=O)N[C@H]2CCCc3nn(C)cc32)cccc1-n1cnnn1 ZINC000519704129 1195564547 /nfs/dbraw/zinc/56/45/47/1195564547.db2.gz CMKAJEZOHMCSQE-AWEZNQCLSA-N 0 0 380.412 0.837 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)[C@@H](C)C1 ZINC000440572876 1195565112 /nfs/dbraw/zinc/56/51/12/1195565112.db2.gz BPHBKTOXVQZMRL-NSHDSACASA-N 0 0 399.444 0.388 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H]2CCOC2)[C@@H](C)C1 ZINC000440584645 1195566471 /nfs/dbraw/zinc/56/64/71/1195566471.db2.gz OGGKETATUWZIIK-DZGCQCFKSA-N 0 0 375.425 0.872 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)[C@@H](C)C1 ZINC000440584218 1195566519 /nfs/dbraw/zinc/56/65/19/1195566519.db2.gz VPHGLTHUKGLOLM-ZDUSSCGKSA-N 0 0 385.424 0.904 10 0 GCAERN O=C(NCCOCC1CCC1)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000519735885 1195567273 /nfs/dbraw/zinc/56/72/73/1195567273.db2.gz SEUQCRDVSNIECT-OAHLLOKOSA-N 0 0 387.436 0.763 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H]1N1CCOCC1 ZINC000519860533 1195576458 /nfs/dbraw/zinc/57/64/58/1195576458.db2.gz WDZPNUHCZMKHCF-JJTUDDRGSA-N 0 0 379.501 0.485 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C(N)=O)nc2)cc1C ZINC000440701093 1195577393 /nfs/dbraw/zinc/57/73/93/1195577393.db2.gz HWKFYJQKZXECDA-UHFFFAOYSA-N 0 0 390.465 0.734 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(Cc2ncnn2CCF)CC1 ZINC000440699980 1195577625 /nfs/dbraw/zinc/57/76/25/1195577625.db2.gz DZTBMZCQKDKYGQ-UHFFFAOYSA-N 0 0 382.465 0.478 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc([S@](C)=O)cc3)CC2)[nH]1 ZINC000440755251 1195579177 /nfs/dbraw/zinc/57/91/77/1195579177.db2.gz DCJHFGUPFLKHSH-MHZLTWQESA-N 0 0 390.469 0.133 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc([S@@](C)=O)cc3)CC2)[nH]1 ZINC000440755250 1195579418 /nfs/dbraw/zinc/57/94/18/1195579418.db2.gz DCJHFGUPFLKHSH-HHHXNRCGSA-N 0 0 390.469 0.133 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc(OC(C)C)nc3)CC2)[nH]1 ZINC000440756238 1195579805 /nfs/dbraw/zinc/57/98/05/1195579805.db2.gz MJKAXQJKKLAOHH-UHFFFAOYSA-N 0 0 387.444 0.578 10 0 GCAERN CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)c1C ZINC000440759000 1195579995 /nfs/dbraw/zinc/57/99/95/1195579995.db2.gz KHXJAVSVWZBOMB-UHFFFAOYSA-N 0 0 399.455 0.064 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3c[nH]nc3-c3ccccc3)CC2)[nH]1 ZINC000440752182 1195580363 /nfs/dbraw/zinc/58/03/63/1195580363.db2.gz YQKPJPRZMSWPCH-UHFFFAOYSA-N 0 0 394.439 0.786 10 0 GCAERN CC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)cc1 ZINC000440748353 1195580554 /nfs/dbraw/zinc/58/05/54/1195580554.db2.gz DCOYZEMXDRLKHK-UHFFFAOYSA-N 0 0 399.455 0.032 10 0 GCAERN CC(=O)Nc1cc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)ccc1C ZINC000440751941 1195580568 /nfs/dbraw/zinc/58/05/68/1195580568.db2.gz MRNZICFQXTYCCR-UHFFFAOYSA-N 0 0 399.455 0.663 10 0 GCAERN COC(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)cc1 ZINC000440752160 1195580648 /nfs/dbraw/zinc/58/06/48/1195580648.db2.gz YNHZEKKDPXAVFU-UHFFFAOYSA-N 0 0 386.412 0.183 10 0 GCAERN CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)c1C ZINC000440755910 1195581179 /nfs/dbraw/zinc/58/11/79/1195581179.db2.gz LWLXLVZRMGDTJZ-UHFFFAOYSA-N 0 0 399.455 0.663 10 0 GCAERN COc1cc(F)ccc1NC(=O)C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000440764842 1195581953 /nfs/dbraw/zinc/58/19/53/1195581953.db2.gz VIMAFVIQEITHHE-UHFFFAOYSA-N 0 0 376.392 0.544 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc(F)c(F)c3F)CC2)[nH]1 ZINC000440761204 1195582003 /nfs/dbraw/zinc/58/20/03/1195582003.db2.gz NIRHZUJDLZFSAK-UHFFFAOYSA-N 0 0 382.346 0.813 10 0 GCAERN COC(=O)c1ccccc1NC(=O)C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000440761614 1195582185 /nfs/dbraw/zinc/58/21/85/1195582185.db2.gz XLFSGLJVHNTECZ-UHFFFAOYSA-N 0 0 386.412 0.183 10 0 GCAERN CCO[C@@H]1C[C@](NC(=O)Cn2nnc3ccccc3c2=O)(C(=O)OC)C1(C)C ZINC000440877150 1195587686 /nfs/dbraw/zinc/58/76/86/1195587686.db2.gz QUGINCJSRYNGPB-KUHUBIRLSA-N 0 0 388.424 0.655 10 0 GCAERN CCO[C@H]1C[C@](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)(C(=O)OC)C1(C)C ZINC000440878315 1195587958 /nfs/dbraw/zinc/58/79/58/1195587958.db2.gz SRXAEEGZJAHXAX-BUXKBTBVSA-N 0 0 397.472 0.960 10 0 GCAERN O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)C(=O)N1CCCOCC1 ZINC000520197465 1195607076 /nfs/dbraw/zinc/60/70/76/1195607076.db2.gz DTTKOZIUFQGASH-OAHLLOKOSA-N 0 0 396.465 0.827 10 0 GCAERN CNS(=O)(=O)c1ccc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c(F)c1 ZINC000520261574 1195614175 /nfs/dbraw/zinc/61/41/75/1195614175.db2.gz JBFCIOHVDWENRB-ABAIWWIYSA-N 0 0 389.424 0.509 10 0 GCAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@@H](CC)CN1C(C)=O ZINC000441257915 1195616831 /nfs/dbraw/zinc/61/68/31/1195616831.db2.gz PPBZTXWUAVEJMB-KGLIPLIRSA-N 0 0 378.477 1.220 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CC(n3ccnn3)C2)ccc1-n1nnnc1C(C)C ZINC000441313543 1195621343 /nfs/dbraw/zinc/62/13/43/1195621343.db2.gz UHGQJURYFLPNCK-UHFFFAOYSA-N 0 0 395.427 0.708 10 0 GCAERN Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N1CC(n2ccnn2)C1 ZINC000441315681 1195621946 /nfs/dbraw/zinc/62/19/46/1195621946.db2.gz PLZSBNQMRPHIFP-UHFFFAOYSA-N 0 0 377.426 0.153 10 0 GCAERN Cc1ccc2c(CCNC(=O)CNS(=O)(=O)c3cnn(C)c3)cn(C)c2c1 ZINC000188434083 1195634415 /nfs/dbraw/zinc/63/44/15/1195634415.db2.gz MIJJXQLHIPZFHY-UHFFFAOYSA-N 0 0 389.481 0.857 10 0 GCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)C(=O)Nc1cc(F)ccc1F ZINC000112755738 1195643146 /nfs/dbraw/zinc/64/31/46/1195643146.db2.gz ZXOONUODFPIEPC-UHFFFAOYSA-N 0 0 394.422 0.964 10 0 GCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000473944675 1195647368 /nfs/dbraw/zinc/64/73/68/1195647368.db2.gz YDSOSBAOGMOVOQ-AWEZNQCLSA-N 0 0 378.458 0.933 10 0 GCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000328909982 1195679432 /nfs/dbraw/zinc/67/94/32/1195679432.db2.gz NCVMCSKABTYVTK-JKSUJKDBSA-N 0 0 396.557 0.843 10 0 GCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000328909980 1195679820 /nfs/dbraw/zinc/67/98/20/1195679820.db2.gz NCVMCSKABTYVTK-HOTGVXAUSA-N 0 0 396.557 0.843 10 0 GCAERN CC(=O)N1CCN(CCNC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 ZINC000053030357 1195692232 /nfs/dbraw/zinc/69/22/32/1195692232.db2.gz GKXBKVBPSXBKOK-CQSZACIVSA-N 0 0 394.422 0.598 10 0 GCAERN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)cc1 ZINC000550404944 1195720970 /nfs/dbraw/zinc/72/09/70/1195720970.db2.gz TWMCBVKEQPMMOF-UHFFFAOYSA-N 0 0 390.465 0.836 10 0 GCAERN O=C1C[C@H](N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C(=O)N1CC(F)(F)F ZINC000520444931 1195726980 /nfs/dbraw/zinc/72/69/80/1195726980.db2.gz XFRMDQVNWZQVJK-PWSUYJOCSA-N 0 0 397.419 0.470 10 0 GCAERN COc1cccc(CCNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)n1 ZINC000441443723 1195731801 /nfs/dbraw/zinc/73/18/01/1195731801.db2.gz DIMXLIXQCUUFKQ-UHFFFAOYSA-N 0 0 376.457 0.913 10 0 GCAERN COc1cccc(CCNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)n1 ZINC000441450502 1195735960 /nfs/dbraw/zinc/73/59/60/1195735960.db2.gz PVIJXGKFFGSXPJ-UHFFFAOYSA-N 0 0 377.445 0.013 10 0 GCAERN CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000458960260 1195737937 /nfs/dbraw/zinc/73/79/37/1195737937.db2.gz SAORKRZRJGFASL-GDBMZVCRSA-N 0 0 385.486 0.804 10 0 GCAERN O=C(NCCNc1nccc(C(F)(F)F)n1)c1cc2c(cn1)nc[nH]c2=O ZINC000189734241 1195751984 /nfs/dbraw/zinc/75/19/84/1195751984.db2.gz TVVZLEPDEDICMN-UHFFFAOYSA-N 0 0 379.302 0.969 10 0 GCAERN CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC000536380315 1195753221 /nfs/dbraw/zinc/75/32/21/1195753221.db2.gz ZWVGNGPVUIZTAJ-UHFFFAOYSA-N 0 0 396.447 0.931 10 0 GCAERN Cc1cnn(-c2ccc(NC(=O)C(=O)N3CCN(CCO)[C@H](C)C3)cc2F)c1 ZINC000190029944 1195755559 /nfs/dbraw/zinc/75/55/59/1195755559.db2.gz DFFUSMCXBMIBHK-CQSZACIVSA-N 0 0 389.431 0.783 10 0 GCAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(C3CCCCC3)nn2C)CCN1CCO ZINC000190047840 1195756756 /nfs/dbraw/zinc/75/67/56/1195756756.db2.gz RZDZXADNCJEMIV-AWEZNQCLSA-N 0 0 377.489 0.931 10 0 GCAERN C[C@H](C(=O)N1CCc2ccccc21)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000025861742 1195761171 /nfs/dbraw/zinc/76/11/71/1195761171.db2.gz OHOAMMQGKWDCBE-QGZVFWFLSA-N 0 0 386.496 0.441 10 0 GCAERN Cn1c(N)c(C(=O)CN2CC[C@H](C(F)(F)F)C(C)(C)C2)c(=O)n(C)c1=O ZINC000190211867 1195766575 /nfs/dbraw/zinc/76/65/75/1195766575.db2.gz UFXSUQNWUANBJY-JTQLQIEISA-N 0 0 376.379 0.759 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)ccc1OC ZINC000487392084 1195766584 /nfs/dbraw/zinc/76/65/84/1195766584.db2.gz HRXJQECIBHIXIC-GHMZBOCLSA-N 0 0 388.442 0.438 10 0 GCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000441499069 1195768221 /nfs/dbraw/zinc/76/82/21/1195768221.db2.gz LTJPTHAEAYCFNF-CJNGLKHVSA-N 0 0 379.482 0.728 10 0 GCAERN Cc1nc(C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c(=O)[nH]c1C ZINC000152368949 1195798826 /nfs/dbraw/zinc/79/88/26/1195798826.db2.gz SYENENCDLMFINZ-AWEZNQCLSA-N 0 0 375.473 0.592 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(F)c(OC)c2)CC1 ZINC000441634990 1195801756 /nfs/dbraw/zinc/80/17/56/1195801756.db2.gz ODENCTFQPOEQLS-UHFFFAOYSA-N 0 0 381.404 0.869 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2C[C@@H](C)Oc3ccccc32)CC1 ZINC000441657060 1195809914 /nfs/dbraw/zinc/80/99/14/1195809914.db2.gz QJELGLVBNYBRBW-CQSZACIVSA-N 0 0 389.452 0.896 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)no1 ZINC000441659645 1195810686 /nfs/dbraw/zinc/81/06/86/1195810686.db2.gz SHLZDTSEZVGMLV-UHFFFAOYSA-N 0 0 391.432 0.744 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc([S@@](C)=O)cc2)CC1 ZINC000441657919 1195811344 /nfs/dbraw/zinc/81/13/44/1195811344.db2.gz UAYDXIGVQHASMI-HHHXNRCGSA-N 0 0 395.481 0.458 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cccc3c2OCCO3)CC1 ZINC000441661330 1195812596 /nfs/dbraw/zinc/81/25/96/1195812596.db2.gz VOADLOAAKYJVMV-UHFFFAOYSA-N 0 0 391.424 0.492 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cnn(CC(C)C)c2C)CC1 ZINC000441675471 1195815495 /nfs/dbraw/zinc/81/54/95/1195815495.db2.gz RXXFQOSVYPQFBH-UHFFFAOYSA-N 0 0 393.488 0.882 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(OC)c(F)c2)CC1 ZINC000441677286 1195817404 /nfs/dbraw/zinc/81/74/04/1195817404.db2.gz LIPZPYNTWGAOEZ-UHFFFAOYSA-N 0 0 381.404 0.869 10 0 GCAERN CC(C)N1C(=O)C[C@@H](NC(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)C1=O ZINC000441778192 1195845146 /nfs/dbraw/zinc/84/51/46/1195845146.db2.gz RDTUNHGMSRFCHP-CQSZACIVSA-N 0 0 385.428 0.991 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000487401830 1195855326 /nfs/dbraw/zinc/85/53/26/1195855326.db2.gz SPCJJILYKXTSFQ-MNOVXSKESA-N 0 0 388.442 0.438 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000487401831 1195855502 /nfs/dbraw/zinc/85/55/02/1195855502.db2.gz SPCJJILYKXTSFQ-QWRGUYRKSA-N 0 0 388.442 0.438 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)N(CC)Cc1ccccc1 ZINC000487402418 1195857349 /nfs/dbraw/zinc/85/73/49/1195857349.db2.gz QSKLODQYPXEZIW-UONOGXRCSA-N 0 0 385.486 0.799 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CC)cc1 ZINC000487404582 1195866925 /nfs/dbraw/zinc/86/69/25/1195866925.db2.gz UQSHJHFTRWUUHT-VXGBXAGGSA-N 0 0 399.469 0.770 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CC)cc1 ZINC000487404581 1195867018 /nfs/dbraw/zinc/86/70/18/1195867018.db2.gz UQSHJHFTRWUUHT-RYUDHWBXSA-N 0 0 399.469 0.770 10 0 GCAERN COCCNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000507927227 1195875159 /nfs/dbraw/zinc/87/51/59/1195875159.db2.gz IYMHYDLSYLWDSU-OAHLLOKOSA-N 0 0 378.477 0.198 10 0 GCAERN CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc1C ZINC000441818009 1195880008 /nfs/dbraw/zinc/88/00/08/1195880008.db2.gz GVRWXDJMRNYAIP-JSGCOSHPSA-N 0 0 387.440 1.469 10 0 GCAERN CC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000508231242 1195908454 /nfs/dbraw/zinc/90/84/54/1195908454.db2.gz SWBCYMNEEKMAQD-OAHLLOKOSA-N 0 0 381.454 0.758 10 0 GCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000428186223 1195917494 /nfs/dbraw/zinc/91/74/94/1195917494.db2.gz VOQINZPXPNWKGC-QWHCGFSZSA-N 0 0 384.506 0.789 10 0 GCAERN CC(=O)NC[C@@H]1CN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CCO1 ZINC000441902996 1195931566 /nfs/dbraw/zinc/93/15/66/1195931566.db2.gz ICDVYGRFEALFFO-GFCCVEGCSA-N 0 0 387.433 0.005 10 0 GCAERN CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3cnccn3)CC2)c1 ZINC000441903466 1195931811 /nfs/dbraw/zinc/93/18/11/1195931811.db2.gz UGEKKIQVVRWCKO-UHFFFAOYSA-N 0 0 393.444 0.780 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000442058217 1195947252 /nfs/dbraw/zinc/94/72/52/1195947252.db2.gz HDEUIMZDNJTOEH-STQMWFEESA-N 0 0 381.454 0.418 10 0 GCAERN O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N1CCSC[C@@H]1CCO ZINC000442061410 1195947835 /nfs/dbraw/zinc/94/78/35/1195947835.db2.gz SZLYFYAHLNBJOO-NSHDSACASA-N 0 0 380.405 0.066 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000442087373 1195950833 /nfs/dbraw/zinc/95/08/33/1195950833.db2.gz VNQOFGNMYPAMSB-CQSZACIVSA-N 0 0 390.484 0.911 10 0 GCAERN O=C(Nc1cc2c(cc1F)NC(=O)CC2)C(=O)N1CCSC[C@H]1CCO ZINC000442104160 1195953812 /nfs/dbraw/zinc/95/38/12/1195953812.db2.gz AWSXYIKCOVVBGE-LLVKDONJSA-N 0 0 381.429 0.975 10 0 GCAERN CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)c1 ZINC000442115220 1195954568 /nfs/dbraw/zinc/95/45/68/1195954568.db2.gz ZJKVZPPAPGEKOF-CQSZACIVSA-N 0 0 395.481 0.466 10 0 GCAERN CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000442112358 1195954825 /nfs/dbraw/zinc/95/48/25/1195954825.db2.gz PXRSLPJJGWFJCG-HNNXBMFYSA-N 0 0 394.497 0.452 10 0 GCAERN CNC(=O)COc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cc1 ZINC000442113079 1195954896 /nfs/dbraw/zinc/95/48/96/1195954896.db2.gz WHRJZMLUYXBCTG-CYBMUJFWSA-N 0 0 381.454 0.076 10 0 GCAERN Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442260615 1195967161 /nfs/dbraw/zinc/96/71/61/1195967161.db2.gz NUWBHXRGBSSENU-CYBMUJFWSA-N 0 0 379.461 0.047 10 0 GCAERN CC(C)OCc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1 ZINC000442264735 1195967979 /nfs/dbraw/zinc/96/79/79/1195967979.db2.gz SRJVPDDBVWVPTJ-INIZCTEOSA-N 0 0 377.441 0.650 10 0 GCAERN Cc1ccccc1-c1cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)n(C)n1 ZINC000442268489 1195968710 /nfs/dbraw/zinc/96/87/10/1195968710.db2.gz LTXANEQCSPCZDN-OAHLLOKOSA-N 0 0 399.451 0.434 10 0 GCAERN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442270575 1195969016 /nfs/dbraw/zinc/96/90/16/1195969016.db2.gz HOSSSDSTQOCXGN-AWEZNQCLSA-N 0 0 386.408 0.688 10 0 GCAERN CCCCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442271463 1195969512 /nfs/dbraw/zinc/96/95/12/1195969512.db2.gz IOYQEYGMTDIUEA-OAHLLOKOSA-N 0 0 377.441 0.904 10 0 GCAERN CCCCOc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cn1 ZINC000442273054 1195969527 /nfs/dbraw/zinc/96/95/27/1195969527.db2.gz QNWKDRFOXYXRRD-AWEZNQCLSA-N 0 0 378.429 0.299 10 0 GCAERN O=C(N[C@H]1CCCN(CCO)C1=O)C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000442274132 1195969798 /nfs/dbraw/zinc/96/97/98/1195969798.db2.gz RRIQKUVQDSSVBY-ZDUSSCGKSA-N 0 0 399.369 0.694 10 0 GCAERN O=C(Nc1ccc(Oc2cccnc2)nc1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442275565 1195969959 /nfs/dbraw/zinc/96/99/59/1195969959.db2.gz SUFMHLQTQXGYHB-HNNXBMFYSA-N 0 0 399.407 0.307 10 0 GCAERN CSCCc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1 ZINC000442274425 1195969999 /nfs/dbraw/zinc/96/99/99/1195969999.db2.gz MZGLDEPSAFDJJS-HNNXBMFYSA-N 0 0 379.482 0.630 10 0 GCAERN CC(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000442257243 1195970680 /nfs/dbraw/zinc/97/06/80/1195970680.db2.gz IIZVTUNBZLNVAQ-INIZCTEOSA-N 0 0 377.441 0.759 10 0 GCAERN CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000442278792 1195971084 /nfs/dbraw/zinc/97/10/84/1195971084.db2.gz UFGMVVREBNCENY-MRXNPFEDSA-N 0 0 377.441 0.904 10 0 GCAERN COc1ccc2cc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)ccc2n1 ZINC000442279834 1195971125 /nfs/dbraw/zinc/97/11/25/1195971125.db2.gz XXSKRXNTJTYFCU-OAHLLOKOSA-N 0 0 386.408 0.281 10 0 GCAERN O=C(Nc1ccc(F)c(C(F)(F)F)c1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442279218 1195971134 /nfs/dbraw/zinc/97/11/34/1195971134.db2.gz XHEWVGOMRGEYBT-LBPRGKRZSA-N 0 0 391.321 0.883 10 0 GCAERN CC(C)N(C)c1cccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000442284417 1195971446 /nfs/dbraw/zinc/97/14/46/1195971446.db2.gz MKCZJTLENMEXGN-INIZCTEOSA-N 0 0 376.457 0.569 10 0 GCAERN O=C(Nc1cccc(Oc2cnccn2)c1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442283280 1195971706 /nfs/dbraw/zinc/97/17/06/1195971706.db2.gz KATMMLBGPGGZTM-OAHLLOKOSA-N 0 0 399.407 0.307 10 0 GCAERN CC[C@@H](C)n1ncc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1C1CC1 ZINC000442290455 1195972526 /nfs/dbraw/zinc/97/25/26/1195972526.db2.gz AWXOEVGAHZQKNS-TZMCWYRMSA-N 0 0 391.472 0.770 10 0 GCAERN O=C(Nc1ccccc1OC(F)(F)F)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442296556 1195973482 /nfs/dbraw/zinc/97/34/82/1195973482.db2.gz SMLAFFADWYBRER-LLVKDONJSA-N 0 0 389.330 0.623 10 0 GCAERN O=C(Nc1ccc(OC2CCCC2)nc1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442297903 1195974076 /nfs/dbraw/zinc/97/40/76/1195974076.db2.gz VOZIADQCOXVUOW-HNNXBMFYSA-N 0 0 390.440 0.441 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCc2ccc3ncccc3c2)CC1 ZINC000521218775 1195979424 /nfs/dbraw/zinc/97/94/24/1195979424.db2.gz ZJIZSPUJHGKTHS-UHFFFAOYSA-N 0 0 398.463 0.947 10 0 GCAERN CCOC(=O)COc1cccc(NC(=O)C(=O)N(C)Cc2noc(C)n2)c1 ZINC000442422751 1195985025 /nfs/dbraw/zinc/98/50/25/1195985025.db2.gz VKTQRISCRUMOBB-UHFFFAOYSA-N 0 0 376.369 0.917 10 0 GCAERN CC(C)c1nc([C@H]2COCCN2C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)no1 ZINC000442459649 1195987867 /nfs/dbraw/zinc/98/78/67/1195987867.db2.gz WKZCYLQVWROEGI-LLVKDONJSA-N 0 0 391.432 1.078 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C(N)=O)CC2)cc1 ZINC000521415390 1195995288 /nfs/dbraw/zinc/99/52/88/1195995288.db2.gz KEDNURRJHXHCLV-UHFFFAOYSA-N 0 0 395.481 0.670 10 0 GCAERN CCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCSC[C@H]2CCO)c1 ZINC000550459545 1195997849 /nfs/dbraw/zinc/99/78/49/1195997849.db2.gz FUOHCIKIXJAMRS-OAHLLOKOSA-N 0 0 379.482 0.978 10 0 GCAERN CCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCSC[C@@H]2CCO)c1 ZINC000550459544 1195998021 /nfs/dbraw/zinc/99/80/21/1195998021.db2.gz FUOHCIKIXJAMRS-HNNXBMFYSA-N 0 0 379.482 0.978 10 0 GCAERN Cn1cc(CN2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CC2)cn1 ZINC000521590957 1196005479 /nfs/dbraw/zinc/00/54/79/1196005479.db2.gz YXKKWOAAHULLCZ-UHFFFAOYSA-N 0 0 397.483 0.698 10 0 GCAERN O=C(NCc1ccc(N2CCCC2)nc1)C(=O)N1CCSC[C@@H]1CCO ZINC000521648900 1196008825 /nfs/dbraw/zinc/00/88/25/1196008825.db2.gz SWPLDILNJXFXJO-HNNXBMFYSA-N 0 0 378.498 0.624 10 0 GCAERN Cc1ccccc1CC(=O)N1CCN([C@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000521692290 1196011598 /nfs/dbraw/zinc/01/15/98/1196011598.db2.gz WJTXRJVLPNBAOO-KRWDZBQOSA-N 0 0 393.447 0.804 10 0 GCAERN C[C@]1(C(=O)N2CCC(S(N)(=O)=O)CC2)CCCN1C(=O)c1ccccc1 ZINC000442962328 1196013344 /nfs/dbraw/zinc/01/33/44/1196013344.db2.gz KEFZQCZZWVEMOT-GOSISDBHSA-N 0 0 379.482 0.961 10 0 GCAERN Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N(C)CCCO)cc1C ZINC000443001954 1196016057 /nfs/dbraw/zinc/01/60/57/1196016057.db2.gz SFSXNRDYSKPVKB-HNNXBMFYSA-N 0 0 385.486 0.057 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000443201474 1196027306 /nfs/dbraw/zinc/02/73/06/1196027306.db2.gz VPAAJSHLMDSUIT-VXGBXAGGSA-N 0 0 399.469 0.123 10 0 GCAERN CCOC(=O)c1ccccc1S(=O)(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000443202140 1196027455 /nfs/dbraw/zinc/02/74/55/1196027455.db2.gz JCXGOGQUSVLLOZ-MRXNPFEDSA-N 0 0 381.410 0.226 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)no1 ZINC000443361780 1196042584 /nfs/dbraw/zinc/04/25/84/1196042584.db2.gz ZFGCKCGWDMRLNW-SNVBAGLBSA-N 0 0 398.489 0.701 10 0 GCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)NCC3([S@@](C)=O)CCC3)C2)c1=O ZINC000280845347 1196046888 /nfs/dbraw/zinc/04/68/88/1196046888.db2.gz VZQFYDVRSXSUMN-ZBSNKRKSSA-N 0 0 381.502 0.350 10 0 GCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)NCC3([S@](C)=O)CCC3)C2)c1=O ZINC000280845344 1196046997 /nfs/dbraw/zinc/04/69/97/1196046997.db2.gz VZQFYDVRSXSUMN-SRGMZFCMSA-N 0 0 381.502 0.350 10 0 GCAERN CC(=O)N1CCN(C(=O)[C@H](C)S(=O)(=O)Cc2nc(C3CCCC3)no2)CC1 ZINC000443444840 1196047934 /nfs/dbraw/zinc/04/79/34/1196047934.db2.gz LCWKCSZOYXXXLE-LBPRGKRZSA-N 0 0 398.485 0.721 10 0 GCAERN CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000550501776 1196059862 /nfs/dbraw/zinc/05/98/62/1196059862.db2.gz WXFXDDUWFIJMHP-HNNXBMFYSA-N 0 0 379.482 0.379 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)N2CCC([C@H](O)C(=O)OC)CC2)c(C)c1 ZINC000443508835 1196063271 /nfs/dbraw/zinc/06/32/71/1196063271.db2.gz GQXZZMTULIKVAW-HNNXBMFYSA-N 0 0 385.438 0.716 10 0 GCAERN CC(=O)N[C@@](C)(C(=O)N1CCC(=O)[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000280851693 1196064220 /nfs/dbraw/zinc/06/42/20/1196064220.db2.gz RLAZADDUBHPTJC-KZULUSFZSA-N 0 0 380.466 0.879 10 0 GCAERN C[C@H](NC(=O)CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1)C(=O)N(C)C ZINC000051405942 1196082403 /nfs/dbraw/zinc/08/24/03/1196082403.db2.gz DMIGTOCADJPGNQ-LBPRGKRZSA-N 0 0 382.411 0.316 10 0 GCAERN CC1(C)CN(C(=O)C(=O)NCc2ccnc(-n3cccn3)c2)C[C@@]2(CCOC2)O1 ZINC000550550221 1196083274 /nfs/dbraw/zinc/08/32/74/1196083274.db2.gz DFBSZVWVNJSQLF-HXUWFJFHSA-N 0 0 399.451 0.680 10 0 GCAERN CCNC(=O)CN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C)CC1 ZINC000508429703 1196083713 /nfs/dbraw/zinc/08/37/13/1196083713.db2.gz VFZIMENPICVZJG-UHFFFAOYSA-N 0 0 388.472 0.757 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)n1 ZINC000443648052 1196084830 /nfs/dbraw/zinc/08/48/30/1196084830.db2.gz DLRABNPZCYGJAL-AWEZNQCLSA-N 0 0 390.488 1.412 10 0 GCAERN CN(Cc1nc(-c2cccnc2)no1)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000114129861 1196095775 /nfs/dbraw/zinc/09/57/75/1196095775.db2.gz FPUWFZJRENZYPN-UHFFFAOYSA-N 0 0 392.375 0.793 10 0 GCAERN CC(=O)N1CCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000729544439 1196104801 /nfs/dbraw/zinc/10/48/01/1196104801.db2.gz PEYDQDSFCTUTKY-YGRLFVJLSA-N 0 0 383.426 0.215 10 0 GCAERN Cc1ccc(C(=O)N2CCN([C@@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)cc1 ZINC000052752138 1196104859 /nfs/dbraw/zinc/10/48/59/1196104859.db2.gz DZSZBYCKERSYLZ-INIZCTEOSA-N 0 0 386.496 0.878 10 0 GCAERN COC(=O)c1cn(CC(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)nn1 ZINC000474318662 1196108315 /nfs/dbraw/zinc/10/83/15/1196108315.db2.gz ZWLGFYMHKGABON-UHFFFAOYSA-N 0 0 385.424 0.287 10 0 GCAERN COc1cc(F)ccc1N1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000115125865 1196116334 /nfs/dbraw/zinc/11/63/34/1196116334.db2.gz LMASZEDSCIETFL-UHFFFAOYSA-N 0 0 385.399 0.993 10 0 GCAERN CS(=O)(=O)N1CCC(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC000115852889 1196122316 /nfs/dbraw/zinc/12/23/16/1196122316.db2.gz BJLOPDBWGUCGGL-AWEZNQCLSA-N 0 0 385.461 0.258 10 0 GCAERN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NCCNc1cnccn1 ZINC000116080877 1196130830 /nfs/dbraw/zinc/13/08/30/1196130830.db2.gz QGBDHGFCNUJUFT-GOSISDBHSA-N 0 0 394.435 0.480 10 0 GCAERN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NCCNc1cnccn1 ZINC000116080879 1196130835 /nfs/dbraw/zinc/13/08/35/1196130835.db2.gz QGBDHGFCNUJUFT-SFHVURJKSA-N 0 0 394.435 0.480 10 0 GCAERN Cc1cccc([C@@H](CC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)NC(N)=O)c1 ZINC000474775353 1196149322 /nfs/dbraw/zinc/14/93/22/1196149322.db2.gz NUTCXPZXBFREFS-DLBZAZTESA-N 0 0 388.468 0.991 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC([C@@H]3CCCO3)CC2)c1 ZINC000443774963 1196150840 /nfs/dbraw/zinc/15/08/40/1196150840.db2.gz SSMFIPWEDOHHEB-INIZCTEOSA-N 0 0 395.481 0.951 10 0 GCAERN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1C ZINC000508441474 1196151202 /nfs/dbraw/zinc/15/12/02/1196151202.db2.gz KHWSXBGDNPNBKT-HIFRSBDPSA-N 0 0 395.485 0.710 10 0 GCAERN Cc1cc(N2CCN(C(=O)CN3Cc4ccccc4C3=O)CC2)n2ncnc2n1 ZINC000329092035 1196162694 /nfs/dbraw/zinc/16/26/94/1196162694.db2.gz AKHHSPYQWQDUDE-UHFFFAOYSA-N 0 0 391.435 0.737 10 0 GCAERN O=C(NC[C@@H](O)Cc1ccccc1)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000179349474 1196177048 /nfs/dbraw/zinc/17/70/48/1196177048.db2.gz ZJTIWQPXVHOKRW-KRWDZBQOSA-N 0 0 379.420 0.985 10 0 GCAERN COc1cccc([C@H]2C[C@@H]2C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000329334704 1196186128 /nfs/dbraw/zinc/18/61/28/1196186128.db2.gz XLOPOHPXYAABOX-MOPGFXCFSA-N 0 0 387.480 0.802 10 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398.467 0.695 10 0 GCAERN CCO[C@@H]1C[C@@](NC(=O)Cc2c(C)[nH]c3ccnn3c2=O)(C(=O)OC)C1(C)C ZINC000444542631 1196501954 /nfs/dbraw/zinc/50/19/54/1196501954.db2.gz FOBORGLSDJNOFJ-BFUOFWGJSA-N 0 0 390.440 0.737 10 0 GCAERN Cc1nccnc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 ZINC000367154179 1196506296 /nfs/dbraw/zinc/50/62/96/1196506296.db2.gz RPROJBZTYONMNN-UHFFFAOYSA-N 0 0 394.435 0.809 10 0 GCAERN COC(=O)[C@H]1[C@@H](O)CCCN1CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000444728282 1196516088 /nfs/dbraw/zinc/51/60/88/1196516088.db2.gz BSLNFNNFLJUPEX-DZGCQCFKSA-N 0 0 388.417 0.166 10 0 GCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000444728285 1196516190 /nfs/dbraw/zinc/51/61/90/1196516190.db2.gz BSLNFNNFLJUPEX-ZFWWWQNUSA-N 0 0 388.417 0.166 10 0 GCAERN CCO[C@@H]1C[C@@](NCCNS(=O)(=O)c2cnn(C)c2)(C(=O)OC)C1(C)C ZINC000444763208 1196517911 /nfs/dbraw/zinc/51/79/11/1196517911.db2.gz CJUJEVORAOXLTD-CZUORRHYSA-N 0 0 388.490 0.035 10 0 GCAERN 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NC(=O)c1ccc(CCC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1 ZINC000448965326 1196841892 /nfs/dbraw/zinc/84/18/92/1196841892.db2.gz IDKHHJLDLFWTHX-UHFFFAOYSA-N 0 0 386.496 0.779 10 0 GCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1cnn(-c2ccncc2)c1 ZINC000448970705 1196842828 /nfs/dbraw/zinc/84/28/28/1196842828.db2.gz ZEDIAKLWUSGODJ-UHFFFAOYSA-N 0 0 382.468 0.941 10 0 GCAERN CC(=O)N1CCc2cc(S(=O)(=O)N3CCN4C(=O)NC[C@@H]4C3)c(Cl)cc21 ZINC000528335980 1196850205 /nfs/dbraw/zinc/85/02/05/1196850205.db2.gz FIOCPTWCBQXCBQ-GFCCVEGCSA-N 0 0 398.872 0.647 10 0 GCAERN CC(=O)N1CCc2cc(S(=O)(=O)N3CCN4C(=O)NC[C@H]4C3)c(Cl)cc21 ZINC000528335981 1196850531 /nfs/dbraw/zinc/85/05/31/1196850531.db2.gz FIOCPTWCBQXCBQ-LBPRGKRZSA-N 0 0 398.872 0.647 10 0 GCAERN CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3CN4CCN3CC4)c(Cl)cc21 ZINC000528353415 1196852599 /nfs/dbraw/zinc/85/25/99/1196852599.db2.gz VJLRUKFPORXVJV-CQSZACIVSA-N 0 0 398.916 0.527 10 0 GCAERN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC000118312662 1196853868 /nfs/dbraw/zinc/85/38/68/1196853868.db2.gz BMMQCPNANAUKJY-GOSISDBHSA-N 0 0 399.499 0.388 10 0 GCAERN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC000118312660 1196854365 /nfs/dbraw/zinc/85/43/65/1196854365.db2.gz BMMQCPNANAUKJY-SFHVURJKSA-N 0 0 399.499 0.388 10 0 GCAERN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CO)c3ccnn3C)c(Cl)cc21 ZINC000528416235 1196857410 /nfs/dbraw/zinc/85/74/10/1196857410.db2.gz NYVQKXSIKWPXDF-CYBMUJFWSA-N 0 0 398.872 0.994 10 0 GCAERN CC(=O)N1CCc2cc(S(=O)(=O)N3CC(N4CC[C@@H](O)C4)C3)c(Cl)cc21 ZINC000528422566 1196859389 /nfs/dbraw/zinc/85/93/89/1196859389.db2.gz SCYKDYNXYZNUBM-CQSZACIVSA-N 0 0 399.900 0.689 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)cc1 ZINC000528481067 1196861250 /nfs/dbraw/zinc/86/12/50/1196861250.db2.gz LKIVQSQHDXHTMC-GOSISDBHSA-N 0 0 382.482 0.783 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(C)n([C@@H]3CCOC3)c2C)CC1 ZINC000528474735 1196863279 /nfs/dbraw/zinc/86/32/79/1196863279.db2.gz ZCYQWAWPKCWUQP-QGZVFWFLSA-N 0 0 390.484 0.877 10 0 GCAERN CCc1nnnn1-c1ccccc1NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000118742123 1196864343 /nfs/dbraw/zinc/86/43/43/1196864343.db2.gz NLOYPYYJHPQWGU-UHFFFAOYSA-N 0 0 391.391 0.867 10 0 GCAERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000119047963 1196876732 /nfs/dbraw/zinc/87/67/32/1196876732.db2.gz HIIYLMRQMLZVHP-FZMZJTMJSA-N 0 0 397.435 0.733 10 0 GCAERN Cn1ccnc1C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000168515316 1196881090 /nfs/dbraw/zinc/88/10/90/1196881090.db2.gz DZETTYYAZDDFFO-CQSZACIVSA-N 0 0 394.439 0.816 10 0 GCAERN Cc1nn(C)c(C)c1CCNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000119562510 1196895706 /nfs/dbraw/zinc/89/57/06/1196895706.db2.gz MGCUKWFCUFCGKP-UHFFFAOYSA-N 0 0 383.518 0.835 10 0 GCAERN Cc1c(CNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cnn1C ZINC000119565782 1196896084 /nfs/dbraw/zinc/89/60/84/1196896084.db2.gz KYMRPZAMXNHLFR-GOSISDBHSA-N 0 0 381.436 0.820 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2cnn(C)c2)C1 ZINC000120158694 1196904364 /nfs/dbraw/zinc/90/43/64/1196904364.db2.gz POSKFCBAUKXRHY-HNNXBMFYSA-N 0 0 395.485 0.785 10 0 GCAERN CS(=O)(=O)c1ccccc1NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000475661090 1196906314 /nfs/dbraw/zinc/90/63/14/1196906314.db2.gz KQNOSPYCMFVXBC-CQSZACIVSA-N 0 0 381.454 0.992 10 0 GCAERN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc2nnnn2C)cc1 ZINC000450101478 1196912192 /nfs/dbraw/zinc/91/21/92/1196912192.db2.gz DFMZVZIVJLJYCU-HNNXBMFYSA-N 0 0 394.501 0.870 10 0 GCAERN COCCOC[C@@H](O)CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000450268685 1196922818 /nfs/dbraw/zinc/92/28/18/1196922818.db2.gz HWBQYCVQGQFVJU-INIZCTEOSA-N 0 0 386.876 0.887 10 0 GCAERN COCc1nn(C)cc1C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000450495447 1196930072 /nfs/dbraw/zinc/93/00/72/1196930072.db2.gz VONSUCOZHMRUIN-UHFFFAOYSA-N 0 0 390.465 0.783 10 0 GCAERN CCOC(=O)[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC12COC2 ZINC000450569585 1196940180 /nfs/dbraw/zinc/94/01/80/1196940180.db2.gz OFMJJOBGRPNSDQ-GJZGRUSLSA-N 0 0 376.457 0.701 10 0 GCAERN CCOC(=O)[C@@H]1CN(c2cc(N3CCCC[C@@H]3CO)ncn2)CC12COC2 ZINC000450572823 1196941043 /nfs/dbraw/zinc/94/10/43/1196941043.db2.gz VLSCKNDTEKIUFX-CABCVRRESA-N 0 0 376.457 0.844 10 0 GCAERN CCOC(=O)[C@H]1CN([C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC12COC2 ZINC000451137820 1196972561 /nfs/dbraw/zinc/97/25/61/1196972561.db2.gz POYWFICYKMEHFA-CZUORRHYSA-N 0 0 389.452 0.885 10 0 GCAERN CCOC(=O)[C@H]1CN(CC(=O)Nc2ccccc2C(=O)OC)CC12COC2 ZINC000451140053 1196972832 /nfs/dbraw/zinc/97/28/32/1196972832.db2.gz SZXSFGKSWPENQJ-CQSZACIVSA-N 0 0 376.409 0.923 10 0 GCAERN CCOC(=O)[C@@H]1CN(Cc2nc(-c3ccc(OC)nn3)no2)CC12COC2 ZINC000451140800 1196973050 /nfs/dbraw/zinc/97/30/50/1196973050.db2.gz UPGKVSRRLQAYKV-NSHDSACASA-N 0 0 375.385 0.547 10 0 GCAERN CCOC(=O)[C@@H]1CN(CC(=O)Nc2ccsc2C(=O)OC)CC12COC2 ZINC000451125316 1196973566 /nfs/dbraw/zinc/97/35/66/1196973566.db2.gz KUOHFGFXXOOGEQ-NSHDSACASA-N 0 0 382.438 0.985 10 0 GCAERN CCOC(=O)[C@@H]1CN(CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)CC12COC2 ZINC000451129262 1196974160 /nfs/dbraw/zinc/97/41/60/1196974160.db2.gz ZIWMJNRKDSNCII-ROUUACIJSA-N 0 0 388.464 0.814 10 0 GCAERN CCOC(=O)[C@@H]1CN(CC(=O)NCc2ccc(COC)cc2)CC12COC2 ZINC000451131627 1196974236 /nfs/dbraw/zinc/97/42/36/1196974236.db2.gz HLVPQMGYNLICMA-KRWDZBQOSA-N 0 0 376.453 0.961 10 0 GCAERN CCOC(=O)[C@H]1CN(CC(=O)Nc2cccc(C(=O)OC)n2)CC12COC2 ZINC000451143680 1196975381 /nfs/dbraw/zinc/97/53/81/1196975381.db2.gz XKFXJRWLFRJKFO-GFCCVEGCSA-N 0 0 377.397 0.318 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cn(-c2cccc(OC)c2)nn1 ZINC000451244069 1196981277 /nfs/dbraw/zinc/98/12/77/1196981277.db2.gz MGVMEYWZWJLOAX-RYUDHWBXSA-N 0 0 389.412 0.462 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(-n2nnnc2C)cc1F ZINC000451239841 1196982269 /nfs/dbraw/zinc/98/22/69/1196982269.db2.gz BZHRQALQSQVUNW-UWVGGRQHSA-N 0 0 392.391 0.296 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cn(CCc2ccccc2)nn1 ZINC000451240946 1196982327 /nfs/dbraw/zinc/98/23/27/1196982327.db2.gz FMONCTNMTXMHNL-UONOGXRCSA-N 0 0 387.440 0.707 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC000451243596 1196982347 /nfs/dbraw/zinc/98/23/47/1196982347.db2.gz LITDTMKVUBCCLS-IJEWVQPXSA-N 0 0 392.452 0.969 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)NCCc2cnccn2)c1OC ZINC000530374528 1196983695 /nfs/dbraw/zinc/98/36/95/1196983695.db2.gz BYNDAYBJOBQGGQ-UHFFFAOYSA-N 0 0 381.410 0.801 10 0 GCAERN CO[C@@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)C1 ZINC000530411022 1196986294 /nfs/dbraw/zinc/98/62/94/1196986294.db2.gz LAZONPTXPOAMKJ-UONOGXRCSA-N 0 0 385.490 0.312 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nc(C)no3)CC2)c(F)c1 ZINC000530479862 1196990835 /nfs/dbraw/zinc/99/08/35/1196990835.db2.gz HNLYDXXWRPZPFR-UHFFFAOYSA-N 0 0 398.416 0.810 10 0 GCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OCCOC)cc2)CC12COC2 ZINC000451620362 1197001256 /nfs/dbraw/zinc/00/12/56/1197001256.db2.gz NVCDQEAPSBSAPJ-MRXNPFEDSA-N 0 0 399.465 0.912 10 0 GCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2C(=O)OC)CC12COC2 ZINC000451621544 1197001456 /nfs/dbraw/zinc/00/14/56/1197001456.db2.gz WPIZXTDXAHCHJN-ZDUSSCGKSA-N 0 0 383.422 0.673 10 0 GCAERN NS(=O)(=O)c1ccc(S(=O)(=O)NCCCc2nnc3ccccn32)cc1 ZINC000530649022 1197002441 /nfs/dbraw/zinc/00/24/41/1197002441.db2.gz IWSDPEGQIWFFDE-UHFFFAOYSA-N 0 0 395.466 0.288 10 0 GCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC12COC2 ZINC000451617324 1197002686 /nfs/dbraw/zinc/00/26/86/1197002686.db2.gz AUOIMBWPAJGFNS-OAHLLOKOSA-N 0 0 394.449 0.173 10 0 GCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC12COC2 ZINC000451620054 1197003201 /nfs/dbraw/zinc/00/32/01/1197003201.db2.gz LSOMQSZIXOJTLF-OAHLLOKOSA-N 0 0 382.438 0.845 10 0 GCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)CC12COC2 ZINC000451618732 1197003284 /nfs/dbraw/zinc/00/32/84/1197003284.db2.gz GCMCIHNXGIPDRR-MRXNPFEDSA-N 0 0 396.465 0.870 10 0 GCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)OC)CC12COC2 ZINC000451618842 1197003305 /nfs/dbraw/zinc/00/33/05/1197003305.db2.gz GEKYWFPDUYBSGV-IHRRRGAJSA-N 0 0 389.470 0.560 10 0 GCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)CC12COC2 ZINC000451617149 1197003376 /nfs/dbraw/zinc/00/33/76/1197003376.db2.gz ACVVSHOFJPPMPE-OAHLLOKOSA-N 0 0 396.465 0.589 10 0 GCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccc(C(=O)OC)cc2)CC12COC2 ZINC000451619662 1197003392 /nfs/dbraw/zinc/00/33/92/1197003392.db2.gz JXZMMSWGNMWUDR-HNNXBMFYSA-N 0 0 397.449 0.815 10 0 GCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(CC(=O)OC)c2)CC12COC2 ZINC000451619199 1197003438 /nfs/dbraw/zinc/00/34/38/1197003438.db2.gz HQDSOXHONMRMAS-HNNXBMFYSA-N 0 0 397.449 0.602 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)NCCOc2ccc(F)cc2F)CC1 ZINC000530659853 1197005192 /nfs/dbraw/zinc/00/51/92/1197005192.db2.gz HVCNNKZWUSDTNU-UHFFFAOYSA-N 0 0 398.410 0.724 10 0 GCAERN CCCNC(=O)CN(C)C(=O)CN1CCCc2c(OCC(N)=O)cccc21 ZINC000451671918 1197005997 /nfs/dbraw/zinc/00/59/97/1197005997.db2.gz NDBLKNRLKAJUPN-UHFFFAOYSA-N 0 0 376.457 0.288 10 0 GCAERN Cc1c(NC(=O)C(=O)NC[C@H](CO)c2ccccc2)cccc1-n1cnnn1 ZINC000530688244 1197006351 /nfs/dbraw/zinc/00/63/51/1197006351.db2.gz RFUKXCJAOGASGQ-OAHLLOKOSA-N 0 0 380.408 0.802 10 0 GCAERN O=C(Cn1cc(NC(=O)NCc2nnc3ccccn32)cn1)N1CCOCC1 ZINC000530856571 1197021932 /nfs/dbraw/zinc/02/19/32/1197021932.db2.gz PQGVQYGJGWLAJS-UHFFFAOYSA-N 0 0 384.400 0.106 10 0 GCAERN CC(C)(C(N)=O)N1CCN(C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000530949593 1197032397 /nfs/dbraw/zinc/03/23/97/1197032397.db2.gz YZYPWDWHNSTDQF-UHFFFAOYSA-N 0 0 375.473 0.937 10 0 GCAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000531010916 1197038406 /nfs/dbraw/zinc/03/84/06/1197038406.db2.gz GEIRFKDFPYGUNV-RHSMWYFYSA-N 0 0 377.441 0.772 10 0 GCAERN CNC(=O)CC1CCN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000531080751 1197045100 /nfs/dbraw/zinc/04/51/00/1197045100.db2.gz PVLRWIVJTLUZAC-UHFFFAOYSA-N 0 0 388.468 0.836 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(S(C)(=O)=O)c2)CC12COC2 ZINC000452217002 1197046257 /nfs/dbraw/zinc/04/62/57/1197046257.db2.gz BDYKNTJBSCULBG-CYBMUJFWSA-N 0 0 397.449 0.750 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(OCC(N)=O)c(OC)c2)CC12COC2 ZINC000452219156 1197046629 /nfs/dbraw/zinc/04/66/29/1197046629.db2.gz FGRGQLUTZJCVCD-ZDUSSCGKSA-N 0 0 392.408 0.211 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)CNC(=O)c2ccccc2OCC)CC12COC2 ZINC000452231132 1197046907 /nfs/dbraw/zinc/04/69/07/1197046907.db2.gz SVAWZPCUFUDZKH-OAHLLOKOSA-N 0 0 390.436 0.853 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC12COC2 ZINC000452231120 1197048345 /nfs/dbraw/zinc/04/83/45/1197048345.db2.gz SRNSOVBNWOYRNR-HZPDHXFCSA-N 0 0 393.484 0.952 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)COCCNC(=O)c2ccccc2)CC12COC2 ZINC000452257679 1197048538 /nfs/dbraw/zinc/04/85/38/1197048538.db2.gz HXOXLVTZMGFSMQ-MRXNPFEDSA-N 0 0 390.436 0.471 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NC)oc2C)CC12COC2 ZINC000452258792 1197048968 /nfs/dbraw/zinc/04/89/68/1197048968.db2.gz IQRNGMBGMXTYMI-LBPRGKRZSA-N 0 0 386.426 0.148 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)CC12COC2 ZINC000452267840 1197049128 /nfs/dbraw/zinc/04/91/28/1197049128.db2.gz VZLJVZNLXOZSHZ-KBPBESRZSA-N 0 0 388.486 0.086 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)CNC(=O)Cc2cccc(F)c2)CC12COC2 ZINC000452266917 1197049333 /nfs/dbraw/zinc/04/93/33/1197049333.db2.gz UHZKWPXILJLKEJ-HNNXBMFYSA-N 0 0 378.400 0.523 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)c2c(C)nn(C)c2-n2cc(C)cn2)CC12COC2 ZINC000452269898 1197049670 /nfs/dbraw/zinc/04/96/70/1197049670.db2.gz YHPRYLVQLSEEQP-CQSZACIVSA-N 0 0 387.440 0.874 10 0 GCAERN COC(=O)C1CCN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000531160287 1197049972 /nfs/dbraw/zinc/04/99/72/1197049972.db2.gz VPLYGLWKWBBFOL-UHFFFAOYSA-N 0 0 375.425 0.873 10 0 GCAERN CC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)C(=O)N1CCOCC1 ZINC000531227526 1197055385 /nfs/dbraw/zinc/05/53/85/1197055385.db2.gz YEHXMOIMZXZKJU-ZDUSSCGKSA-N 0 0 387.440 0.919 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cc3c(ncnc3N(C)C)n2C)CC12COC2 ZINC000452610527 1197070539 /nfs/dbraw/zinc/07/05/39/1197070539.db2.gz FLQLALJAOCOOKV-ZDUSSCGKSA-N 0 0 387.440 0.686 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cc(N3CCOCC3)ccn2)CC12COC2 ZINC000452609822 1197070637 /nfs/dbraw/zinc/07/06/37/1197070637.db2.gz CQKXOBMDMPOHLI-HNNXBMFYSA-N 0 0 375.425 0.570 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC12COC2 ZINC000452614698 1197071090 /nfs/dbraw/zinc/07/10/90/1197071090.db2.gz PWYBPJZNOYDPFK-STQMWFEESA-N 0 0 384.498 0.972 10 0 GCAERN Cc1cc(NC(=O)C(=O)NC[C@H](CO)c2ccccc2)ccc1-n1cnnn1 ZINC000531404029 1197071588 /nfs/dbraw/zinc/07/15/88/1197071588.db2.gz SYMFVGKTHJJYPX-OAHLLOKOSA-N 0 0 380.408 0.802 10 0 GCAERN COc1cc(OC)c(C[C@@H](C)NC(=O)CN2CCN(C)C(=O)C2)c(OC)c1 ZINC000452694578 1197076602 /nfs/dbraw/zinc/07/66/02/1197076602.db2.gz BLORSQNGJUCGMB-CYBMUJFWSA-N 0 0 379.457 0.534 10 0 GCAERN COc1cc(OC)c(C[C@H](C)NC(=O)Cn2ccc(=O)n(C)c2=O)c(OC)c1 ZINC000452705032 1197077301 /nfs/dbraw/zinc/07/73/01/1197077301.db2.gz 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CSC[C@H](C(=O)N(C)Cc1nnnn1C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000532068457 1197109835 /nfs/dbraw/zinc/10/98/35/1197109835.db2.gz QDYPSDPOLWRSAU-IJLUTSLNSA-N 0 0 380.474 0.075 10 0 GCAERN CCNC(=O)N1CC[C@H](NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000532112709 1197115304 /nfs/dbraw/zinc/11/53/04/1197115304.db2.gz JBFMFMQNXSATMI-NSHDSACASA-N 0 0 380.470 0.998 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)C1 ZINC000532130554 1197116320 /nfs/dbraw/zinc/11/63/20/1197116320.db2.gz WOSHIBAPBBOYFU-HNNXBMFYSA-N 0 0 389.456 0.382 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)C1 ZINC000532130565 1197116371 /nfs/dbraw/zinc/11/63/71/1197116371.db2.gz WOSHIBAPBBOYFU-OAHLLOKOSA-N 0 0 389.456 0.382 10 0 GCAERN Cc1noc(CN2CCN(C(=O)N[C@@H]3CCCC[C@@H]3N3CCOCC3)CC2)n1 ZINC000532173139 1197120284 /nfs/dbraw/zinc/12/02/84/1197120284.db2.gz QTHXICHGGXAMFJ-SJORKVTESA-N 0 0 392.504 0.849 10 0 GCAERN COc1c(F)cc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c(OC)c1F ZINC000453684832 1197122689 /nfs/dbraw/zinc/12/26/89/1197122689.db2.gz FERLRJLTVSVUGG-SNVBAGLBSA-N 0 0 385.367 0.464 10 0 GCAERN Cc1cnc(OC(C)C)c(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000453741035 1197127977 /nfs/dbraw/zinc/12/79/77/1197127977.db2.gz DQBRZHIVCNGYIM-CYBMUJFWSA-N 0 0 378.429 0.215 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(OC(C)C)c1 ZINC000453743739 1197127985 /nfs/dbraw/zinc/12/79/85/1197127985.db2.gz RGVLMHLAEQSABE-CHWSQXEVSA-N 0 0 393.440 0.985 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(OC(C)C)c1 ZINC000453743740 1197128034 /nfs/dbraw/zinc/12/80/34/1197128034.db2.gz RGVLMHLAEQSABE-OLZOCXBDSA-N 0 0 393.440 0.985 10 0 GCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CCOC2(CCOCC2)C1 ZINC000532263909 1197132331 /nfs/dbraw/zinc/13/23/31/1197132331.db2.gz GNEVHBWRGLYZOE-UHFFFAOYSA-N 0 0 394.516 0.522 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn([C@H](C)C3CC3)c2)CC12COC2 ZINC000453800712 1197132439 /nfs/dbraw/zinc/13/24/39/1197132439.db2.gz LKEPFOATCNXAKO-DOMZBBRYSA-N 0 0 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ZINC000453802313 1197137884 /nfs/dbraw/zinc/13/78/84/1197137884.db2.gz NBNJDVBRUROIMY-GFCCVEGCSA-N 0 0 380.372 0.811 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccnn2CC(C)C)CC12COC2 ZINC000453804144 1197138024 /nfs/dbraw/zinc/13/80/24/1197138024.db2.gz OYEHOGBXOSVHRN-CYBMUJFWSA-N 0 0 378.429 0.516 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2OC)CC12COC2 ZINC000453801359 1197138163 /nfs/dbraw/zinc/13/81/63/1197138163.db2.gz MBAXDILTQPMCFP-GFCCVEGCSA-N 0 0 380.372 0.811 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)nc2)CC12COC2 ZINC000453805398 1197139145 /nfs/dbraw/zinc/13/91/45/1197139145.db2.gz RFSGSKFNZRVFFA-NSHDSACASA-N 0 0 399.350 0.660 10 0 GCAERN CN(Cc1nnnn1C)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000532314554 1197140472 /nfs/dbraw/zinc/14/04/72/1197140472.db2.gz JGOZUMYLQRZWBI-OAHLLOKOSA-N 0 0 377.424 0.564 10 0 GCAERN CN(Cc1nnnn1C)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000532317951 1197141099 /nfs/dbraw/zinc/14/10/99/1197141099.db2.gz QRLOSRIGSZKGJT-UHFFFAOYSA-N 0 0 385.472 0.833 10 0 GCAERN O=C(NCC1CCCCCC1)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000453906218 1197148098 /nfs/dbraw/zinc/14/80/98/1197148098.db2.gz XPFPETJEWYBLLJ-UHFFFAOYSA-N 0 0 377.489 1.240 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](CO)C2)C1 ZINC000363927213 1197150598 /nfs/dbraw/zinc/15/05/98/1197150598.db2.gz LJOUJYCFBHOKHL-CABCVRRESA-N 0 0 385.486 0.923 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCCN(Cc2cscn2)CC1 ZINC000171021425 1197156865 /nfs/dbraw/zinc/15/68/65/1197156865.db2.gz ZUIISRAYFSJDQC-UHFFFAOYSA-N 0 0 399.476 0.881 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](O)[C@@H](C)C2)C1 ZINC000364304088 1197172466 /nfs/dbraw/zinc/17/24/66/1197172466.db2.gz BOIUMILJSKUGBW-TUKIKUTGSA-N 0 0 385.486 0.921 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC000453921305 1197174240 /nfs/dbraw/zinc/17/42/40/1197174240.db2.gz DTPOVQFSBFNYRL-HZPDHXFCSA-N 0 0 399.513 0.939 10 0 GCAERN C[C@@H]1C[C@H](NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C(=O)N1c1ccccc1 ZINC000172859078 1197174524 /nfs/dbraw/zinc/17/45/24/1197174524.db2.gz QIIFGTCWSBJTOB-IJAHNMCUSA-N 0 0 382.420 0.407 10 0 GCAERN Cn1cc(N2CCC[C@H](NC(=O)CN3CCN(c4ccccn4)CC3)C2)cn1 ZINC000173469643 1197177111 /nfs/dbraw/zinc/17/71/11/1197177111.db2.gz GJUGEFJRYGZGKJ-KRWDZBQOSA-N 0 0 383.500 0.722 10 0 GCAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]3CN3CCOCC3)cc2[nH]1 ZINC000173897084 1197179000 /nfs/dbraw/zinc/17/90/00/1197179000.db2.gz KXHHOIXWOMIRGD-ZDUSSCGKSA-N 0 0 380.470 0.732 10 0 GCAERN Cn1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccccc3-n3ccnn3)C2)cn1 ZINC000175227970 1197183696 /nfs/dbraw/zinc/18/36/96/1197183696.db2.gz VMPDWIIFDWTVGP-CQSZACIVSA-N 0 0 394.439 0.725 10 0 GCAERN CS(=O)(=O)NCc1ccc(C(=O)NCc2cccnc2-n2ccnc2)o1 ZINC000176532267 1197187678 /nfs/dbraw/zinc/18/76/78/1197187678.db2.gz ODFPANLOKLBVES-UHFFFAOYSA-N 0 0 375.410 0.840 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C[C@H](C)N1CCO ZINC000453925358 1197189371 /nfs/dbraw/zinc/18/93/71/1197189371.db2.gz CLZXNISGGLIJSL-GASCZTMLSA-N 0 0 375.473 0.534 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000177517954 1197190519 /nfs/dbraw/zinc/19/05/19/1197190519.db2.gz OARGUEIGBYKHOH-UHFFFAOYSA-N 0 0 378.454 0.402 10 0 GCAERN CCN1CCN(c2ccc(C(=O)NC[C@@H]3CN4CCN3CC4)cc2F)CC1 ZINC000178782014 1197194764 /nfs/dbraw/zinc/19/47/64/1197194764.db2.gz SBGIWDSTLGMRPC-QGZVFWFLSA-N 0 0 375.492 0.697 10 0 GCAERN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000180950227 1197202910 /nfs/dbraw/zinc/20/29/10/1197202910.db2.gz FUCMJQBGOMHNNC-CQSZACIVSA-N 0 0 375.454 0.551 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cn1C ZINC000181275367 1197203903 /nfs/dbraw/zinc/20/39/03/1197203903.db2.gz FCKZVCVONAEMTN-ZDUSSCGKSA-N 0 0 394.501 0.408 10 0 GCAERN Cn1c(=O)ccn(CC(=O)N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1=O ZINC000181325548 1197204011 /nfs/dbraw/zinc/20/40/11/1197204011.db2.gz LYPHYMCDFGOUIB-HNNXBMFYSA-N 0 0 394.435 0.738 10 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CC(C)[C@H](OC(=O)CCC(=O)N1CCOc2ccccc21)C(=O)NC(N)=O ZINC000731736684 1201497004 /nfs/dbraw/zinc/49/70/04/1201497004.db2.gz JUODMEQMWJABJW-INIZCTEOSA-N 0 0 377.397 0.955 10 0 GCAERN O=C(COC(=O)C1CCC2(CC1)NC(=O)NC2=O)Nc1ccc2c(c1)OCO2 ZINC000732347771 1201537271 /nfs/dbraw/zinc/53/72/71/1201537271.db2.gz ZHPNQEOVWKBXED-UHFFFAOYSA-N 0 0 389.364 0.665 10 0 GCAERN CN(C)c1cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc(Cl)n1 ZINC000733128363 1201576307 /nfs/dbraw/zinc/57/63/07/1201576307.db2.gz NDHKWRZGZXMIBF-UHFFFAOYSA-N 0 0 395.891 0.418 10 0 GCAERN COC[C@]1(C)NC(=O)N(CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)C1=O ZINC000733295797 1201584208 /nfs/dbraw/zinc/58/42/08/1201584208.db2.gz DFDHVJYBCWHKOR-KDOFPFPSSA-N 0 0 378.404 0.777 10 0 GCAERN CCOC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O ZINC000733375986 1201585712 /nfs/dbraw/zinc/58/57/12/1201585712.db2.gz LJAZMIZUBPCEMX-YDHLFZDLSA-N 0 0 387.454 0.826 10 0 GCAERN Cn1nnnc1COC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000733397707 1201586902 /nfs/dbraw/zinc/58/69/02/1201586902.db2.gz WDIPEHHSICXFPZ-UHFFFAOYSA-N 0 0 380.368 0.721 10 0 GCAERN Cc1sc2ncn(CCC(=O)OCCCN3C(=O)CNC3=O)c(=O)c2c1C ZINC000733405259 1201587790 /nfs/dbraw/zinc/58/77/90/1201587790.db2.gz BOEQIASSUSORPJ-UHFFFAOYSA-N 0 0 392.437 0.950 10 0 GCAERN CCN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000823043980 1201589226 /nfs/dbraw/zinc/58/92/26/1201589226.db2.gz JBFWHXYAMBOJEA-URWSZGRFSA-N 0 0 388.390 0.582 10 0 GCAERN CCN1CCN(CC(=O)N2CCC[C@@H](O)[C@H]2CCc2ccccc2)C(=O)C1=O ZINC000823112174 1201591277 /nfs/dbraw/zinc/59/12/77/1201591277.db2.gz MMSRBRJVBVHGTM-QZTJIDSGSA-N 0 0 387.480 0.662 10 0 GCAERN CC[S@@](=O)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000733878625 1201610638 /nfs/dbraw/zinc/61/06/38/1201610638.db2.gz ILVUBHRTWOEAOG-MRDQGFSESA-N 0 0 381.454 0.347 10 0 GCAERN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@H](O)C(C)(C)O)CC1 ZINC000824114724 1201636806 /nfs/dbraw/zinc/63/68/06/1201636806.db2.gz OEHSMHGBHCVUDC-CABCVRRESA-N 0 0 384.860 0.830 10 0 GCAERN CC(=O)[C@@H]1CC(C(=O)N2CCC[C@H]2CS(N)(=O)=O)=NN1c1ccccc1 ZINC000733970936 1201637453 /nfs/dbraw/zinc/63/74/53/1201637453.db2.gz RBKSEPCXMCRJMF-HOCLYGCPSA-N 0 0 378.454 0.490 10 0 GCAERN COC(OC)C(=O)N1CCN(C(=O)c2cc(C)n(-c3cnccn3)c2C)CC1 ZINC000824229394 1201639676 /nfs/dbraw/zinc/63/96/76/1201639676.db2.gz GQLUUFNRMUVKBC-UHFFFAOYSA-N 0 0 387.440 0.787 10 0 GCAERN COC(OC)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000824230150 1201639768 /nfs/dbraw/zinc/63/97/68/1201639768.db2.gz DXWRSUHYNOZKQL-CYBMUJFWSA-N 0 0 393.415 0.468 10 0 GCAERN COc1cc(COCC(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)ccn1 ZINC000824852501 1201650756 /nfs/dbraw/zinc/65/07/56/1201650756.db2.gz NMBZEFZWNGRFHD-UHFFFAOYSA-N 0 0 391.472 0.118 10 0 GCAERN Cc1nn(CCS(=O)(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)c(=O)o1 ZINC000825541522 1201662563 /nfs/dbraw/zinc/66/25/63/1201662563.db2.gz FCILMDAZMGKYTP-ZDUSSCGKSA-N 0 0 386.861 0.996 10 0 GCAERN CC(=O)[C@H]1CC(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)=NN1c1ccccc1 ZINC000735063910 1201675568 /nfs/dbraw/zinc/67/55/68/1201675568.db2.gz BHVGVQGDMKBFLM-XJKSGUPXSA-N 0 0 378.454 0.360 10 0 GCAERN CC[S@](=O)CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC000735116233 1201679060 /nfs/dbraw/zinc/67/90/60/1201679060.db2.gz DOYLEYDXYVGUTA-QYBDOPJKSA-N 0 0 377.466 0.870 10 0 GCAERN CC[S@](=O)CCNC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000735113627 1201679448 /nfs/dbraw/zinc/67/94/48/1201679448.db2.gz VFAQOUUATCXWBD-DBFUXIHBSA-N 0 0 386.562 0.777 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC ZINC000735197192 1201682644 /nfs/dbraw/zinc/68/26/44/1201682644.db2.gz AWLQXZUGJWEMOF-HHHXNRCGSA-N 0 0 395.481 0.755 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 ZINC000735197652 1201682683 /nfs/dbraw/zinc/68/26/83/1201682683.db2.gz GMVKANNKAVMMHF-RMKBEBRYSA-N 0 0 381.498 0.903 10 0 GCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC000735198474 1201682783 /nfs/dbraw/zinc/68/27/83/1201682783.db2.gz IRMATAJJINYQII-SANMLTNESA-N 0 0 375.450 0.720 10 0 GCAERN CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC[S@@](=O)CC)cc2)CC1 ZINC000735197647 1201682930 /nfs/dbraw/zinc/68/29/30/1201682930.db2.gz GMIWFKGXZQUMHO-MHZLTWQESA-N 0 0 394.541 0.647 10 0 GCAERN NS(=O)(=O)C1CN(C(=O)Cc2cccc(I)c2)C1 ZINC000826651077 1201685993 /nfs/dbraw/zinc/68/59/93/1201685993.db2.gz TUXYEZGVRGNCIP-UHFFFAOYSA-N 0 0 380.207 0.333 10 0 GCAERN CC(=O)NC[C@@H]1CN(CN2C(=O)NC3(CCC(C(C)C)CC3)C2=O)CCO1 ZINC000735486550 1201690096 /nfs/dbraw/zinc/69/00/96/1201690096.db2.gz SZJYCCVKWPXHJP-KOHRHEQBSA-N 0 0 380.489 0.918 10 0 GCAERN CCOC(=O)C(=O)N1CCN(C(=O)c2cnc3c(cnn3CC(C)C)c2)CC1 ZINC000735814683 1201702429 /nfs/dbraw/zinc/70/24/29/1201702429.db2.gz FZDYOQXGCOANEQ-UHFFFAOYSA-N 0 0 387.440 0.935 10 0 GCAERN Cc1nnc(CN2CCN(CC(=O)NC3CCC4(CC3)OCCO4)CC2)[nH]1 ZINC000735872383 1201703329 /nfs/dbraw/zinc/70/33/29/1201703329.db2.gz CGBVHNUWQKFMJH-UHFFFAOYSA-N 0 0 378.477 0.033 10 0 GCAERN Cn1[nH]c(=O)c2c1CN(C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)CC2 ZINC000827611160 1201704620 /nfs/dbraw/zinc/70/46/20/1201704620.db2.gz JWVAICRQXOZDGS-XJKSGUPXSA-N 0 0 385.342 0.821 10 0 GCAERN CS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC000827611303 1201704704 /nfs/dbraw/zinc/70/47/04/1201704704.db2.gz QJLCNTVTEUENHQ-MBNYWOFBSA-N 0 0 381.372 0.443 10 0 GCAERN O=C(Cn1nc(Br)c(Br)n1)NCCn1cncn1 ZINC000827864141 1201709419 /nfs/dbraw/zinc/70/94/19/1201709419.db2.gz BDIJLEUZLRYPBF-UHFFFAOYSA-N 0 0 379.016 0.211 10 0 GCAERN CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(-c3ccccn3)[nH]c2=O)CC1 ZINC000736130562 1201709508 /nfs/dbraw/zinc/70/95/08/1201709508.db2.gz FVUCNNYQMVNXJQ-UHFFFAOYSA-N 0 0 384.392 0.697 10 0 GCAERN CN(C)c1cc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc(Cl)n1 ZINC000736150666 1201710773 /nfs/dbraw/zinc/71/07/73/1201710773.db2.gz AABOKJDXQHGAFE-AWEZNQCLSA-N 0 0 395.891 0.464 10 0 GCAERN NS(=O)(=O)NC1CN(C(=O)CCc2cc(F)ccc2Br)C1 ZINC000827897808 1201710801 /nfs/dbraw/zinc/71/08/01/1201710801.db2.gz JAGDMQGMXDBQLR-UHFFFAOYSA-N 0 0 380.239 0.525 10 0 GCAERN Cn1ncc(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1Cl ZINC000827926918 1201711635 /nfs/dbraw/zinc/71/16/35/1201711635.db2.gz MGAWKWVZZWINLH-NSHDSACASA-N 0 0 391.881 0.732 10 0 GCAERN O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1cc2n(n1)CCCC2 ZINC000828026293 1201713417 /nfs/dbraw/zinc/71/34/17/1201713417.db2.gz DHPPKJIDNBPCFV-SFHVURJKSA-N 0 0 389.500 0.549 10 0 GCAERN O=C(NCC12COCCN1CCOC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000828152468 1201714593 /nfs/dbraw/zinc/71/45/93/1201714593.db2.gz QUFHAVJKROFKDR-UHFFFAOYSA-N 0 0 379.432 0.493 10 0 GCAERN CS(=O)(=O)c1ccc(F)c(C(=O)NCCS(=O)(=O)C(F)(F)F)c1 ZINC000828145339 1201714668 /nfs/dbraw/zinc/71/46/68/1201714668.db2.gz XUKBTDNZFWQZIE-UHFFFAOYSA-N 0 0 377.337 0.894 10 0 GCAERN NS(=O)(=O)NC1CN(C(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)C1 ZINC000828161328 1201714721 /nfs/dbraw/zinc/71/47/21/1201714721.db2.gz HHTDHFLNOBWXQU-UHFFFAOYSA-N 0 0 392.403 0.923 10 0 GCAERN CN1C(=O)C[C@H](NC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)C1=O ZINC000828241443 1201715987 /nfs/dbraw/zinc/71/59/87/1201715987.db2.gz JLEXNODSTIKMJQ-HNNXBMFYSA-N 0 0 394.859 0.571 10 0 GCAERN O=S1(=O)CCC[C@H]1CN1CCN(Cc2nncn2-c2ccccc2)CC1 ZINC000828395649 1201716772 /nfs/dbraw/zinc/71/67/72/1201716772.db2.gz TXRXAVZTKNRESO-KRWDZBQOSA-N 0 0 375.498 0.962 10 0 GCAERN Cn1ncc(I)c1CN1CCc2nn(C)c(=O)cc2C1 ZINC000828407760 1201716899 /nfs/dbraw/zinc/71/68/99/1201716899.db2.gz KZEFIWZYTBLUSB-UHFFFAOYSA-N 0 0 385.209 0.677 10 0 GCAERN O=C([C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N1CCN(C(=O)C2CC2)CC1 ZINC000828576845 1201717806 /nfs/dbraw/zinc/71/78/06/1201717806.db2.gz FVOKRGXOGJDWCX-RHSMWYFYSA-N 0 0 386.370 0.878 10 0 GCAERN O=C(CO)NCCC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000828644778 1201718824 /nfs/dbraw/zinc/71/88/24/1201718824.db2.gz IPJLCDCRBDRHHQ-UHFFFAOYSA-N 0 0 388.251 0.776 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000737214217 1201724177 /nfs/dbraw/zinc/72/41/77/1201724177.db2.gz DNXOERYRNKXZIS-IYJVBRSBSA-N 0 0 381.498 0.903 10 0 GCAERN O=C(NCCc1ccccc1O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000737250227 1201724860 /nfs/dbraw/zinc/72/48/60/1201724860.db2.gz KNDUGICTLFRGFC-UHFFFAOYSA-N 0 0 382.420 0.626 10 0 GCAERN C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1ccc(-n2cncn2)cc1 ZINC000179123535 1201734800 /nfs/dbraw/zinc/73/48/00/1201734800.db2.gz QSVIIMPHJHBOAM-NSHDSACASA-N 0 0 376.380 0.900 10 0 GCAERN COCCCNC(=O)[C@@H](C)N1CCN(Cn2c3ccccc3n(C)c2=O)CC1 ZINC000738169846 1201735685 /nfs/dbraw/zinc/73/56/85/1201735685.db2.gz MLOFXGPSJZRSGV-MRXNPFEDSA-N 0 0 389.500 0.456 10 0 GCAERN COC(=O)c1ccc(=O)n(CN2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 ZINC000739853397 1201742921 /nfs/dbraw/zinc/74/29/21/1201742921.db2.gz QQDCYGRQUXUNKF-UHFFFAOYSA-N 0 0 392.362 0.724 10 0 GCAERN CC[S@](=O)CCNC(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000741086101 1201757196 /nfs/dbraw/zinc/75/71/96/1201757196.db2.gz JECNDTUEIMCXQY-WZQKQDCOSA-N 0 0 377.470 0.594 10 0 GCAERN CC[S@@](=O)CCNC(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000741079414 1201757330 /nfs/dbraw/zinc/75/73/30/1201757330.db2.gz HKTXWPRNEQPXTJ-AREMUKBSSA-N 0 0 390.550 0.997 10 0 GCAERN CC[S@](=O)CCNC(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 ZINC000741085367 1201757331 /nfs/dbraw/zinc/75/73/31/1201757331.db2.gz QDDLTEGAGDZWKP-SANMLTNESA-N 0 0 380.514 0.923 10 0 GCAERN COCC(=O)N[C@H](C(=O)OCC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2)C(C)C ZINC000741365998 1201775712 /nfs/dbraw/zinc/77/57/12/1201775712.db2.gz GAORMTNSYBYUOY-DIFFPNOSSA-N 0 0 392.408 0.919 10 0 GCAERN CC(C)[C@H](OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)N(C)C ZINC000741374115 1201776663 /nfs/dbraw/zinc/77/66/63/1201776663.db2.gz PKLPNYVNPJXJJD-HNNXBMFYSA-N 0 0 385.461 0.722 10 0 GCAERN CCN1CCN(C(=O)CC2CCN(C(=O)NCC[S@@](=O)CC)CC2)CC1 ZINC000741423639 1201779743 /nfs/dbraw/zinc/77/97/43/1201779743.db2.gz GSKSCPOGCYYCJZ-SANMLTNESA-N 0 0 386.562 0.731 10 0 GCAERN CC[S@@](=O)CCNC(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000741424311 1201779878 /nfs/dbraw/zinc/77/98/78/1201779878.db2.gz KZLUGPWHCJSKDU-AREMUKBSSA-N 0 0 390.550 0.949 10 0 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C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@H]1CO ZINC000408387796 530513798 /nfs/dbraw/zinc/51/37/98/530513798.db2.gz YHFNRGWDBKTESP-KGLIPLIRSA-N 0 0 388.511 0.720 10 0 GCAERN CN(Cc1nnnn1C)C(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000531821437 530522982 /nfs/dbraw/zinc/52/29/82/530522982.db2.gz SBQPFYSONWBVMA-UHFFFAOYSA-N 0 0 388.247 0.405 10 0 GCAERN O=C(c1ccccc1I)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000096767735 530515750 /nfs/dbraw/zinc/51/57/50/530515750.db2.gz OCRKYTCWYWLLLZ-CYBMUJFWSA-N 0 0 385.161 0.715 10 0 GCAERN CCN1CC[C@H]2OCCN(S(=O)(=O)c3cn(C)nc3C(F)(F)F)[C@H]2C1 ZINC000328866146 530518591 /nfs/dbraw/zinc/51/85/91/530518591.db2.gz WNSFBTGNZKDYHF-WDEREUQCSA-N 0 0 382.408 0.923 10 0 GCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)C1 ZINC000607033661 530522451 /nfs/dbraw/zinc/52/24/51/530522451.db2.gz QDNSZKGFPCQARE-KBPBESRZSA-N 0 0 385.511 0.561 10 0 GCAERN CS(=O)(=O)N1CCCN(S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000408428978 530523370 /nfs/dbraw/zinc/52/33/70/530523370.db2.gz HQHYIFPJLPQYLN-UHFFFAOYSA-N 0 0 387.405 0.756 10 0 GCAERN C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Br)cn2)C[C@H]1C ZINC000408432058 530523978 /nfs/dbraw/zinc/52/39/78/530523978.db2.gz DDOGBMXNKYSCSA-MNOVXSKESA-N 0 0 378.292 0.920 10 0 GCAERN COC[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)C[C@H](C)O1 ZINC000408438283 530524717 /nfs/dbraw/zinc/52/47/17/530524717.db2.gz HASLBIFXAMHSGH-ZFWWWQNUSA-N 0 0 377.507 0.634 10 0 GCAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N2CCS(=O)(=O)CC[C@H]2C)CC1 ZINC000408439607 530526153 /nfs/dbraw/zinc/52/61/53/530526153.db2.gz STGCNVRWWIWIGQ-CYBMUJFWSA-N 0 0 395.547 0.408 10 0 GCAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N2CCS(=O)(=O)C[C@H]2C)CC1 ZINC000408439890 530526363 /nfs/dbraw/zinc/52/63/63/530526363.db2.gz WIAFYNYINWRTIG-GFCCVEGCSA-N 0 0 381.520 0.018 10 0 GCAERN CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000366527225 530527653 /nfs/dbraw/zinc/52/76/53/530527653.db2.gz ZDEQMVIBACKXJG-INIZCTEOSA-N 0 0 378.491 0.127 10 0 GCAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N2CCOC[C@H]2C[C@H](C)O)CC1 ZINC000408446294 530528419 /nfs/dbraw/zinc/52/84/19/530528419.db2.gz JNKFMEZWZBDSNM-DZGCQCFKSA-N 0 0 377.507 0.370 10 0 GCAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N2CC[C@H](C)S(=O)(=O)CC2)CC1 ZINC000408446909 530528543 /nfs/dbraw/zinc/52/85/43/530528543.db2.gz SIGMDDLVDGNNNV-ZDUSSCGKSA-N 0 0 395.547 0.408 10 0 GCAERN CC[C@@H]1CN(CC(=O)NCCCN(C)S(C)(=O)=O)CCN1CC(F)F ZINC000153687778 530536537 /nfs/dbraw/zinc/53/65/37/530536537.db2.gz HCKKCEHLNTZXNQ-CYBMUJFWSA-N 0 0 384.493 0.045 10 0 GCAERN O=C(c1cccc(Cl)c1)N1CC(S(=O)(=O)N2C[C@@H](F)C[C@@H]2CO)C1 ZINC000444274846 530544385 /nfs/dbraw/zinc/54/43/85/530544385.db2.gz FMWLULSXPGLUKY-QWHCGFSZSA-N 0 0 376.837 0.899 10 0 GCAERN O=S(=O)(c1cccc(S(=O)(=O)N2C[C@@H](F)C[C@@H]2CO)c1)N1CCCC1 ZINC000444280485 530545209 /nfs/dbraw/zinc/54/52/09/530545209.db2.gz SMPNUKUSMRGTDH-QWHCGFSZSA-N 0 0 392.474 0.565 10 0 GCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)ncc1Br ZINC000447217319 530558773 /nfs/dbraw/zinc/55/87/73/530558773.db2.gz LJBIGSZNWVJWJX-LLVKDONJSA-N 0 0 399.245 0.191 10 0 GCAERN C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cnn2cc(Br)cnc12 ZINC000094132116 530560070 /nfs/dbraw/zinc/56/00/70/530560070.db2.gz NPPZDAXFTZFYNB-MRVPVSSYSA-N 0 0 375.248 0.997 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCNC[C@@H]2C(F)F)cc1 ZINC000568512880 530560508 /nfs/dbraw/zinc/56/05/08/530560508.db2.gz OTISHKHEUKQVIS-CYBMUJFWSA-N 0 0 375.397 0.233 10 0 GCAERN O=C1CNCCN1[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000186118711 530569927 /nfs/dbraw/zinc/56/99/27/530569927.db2.gz QAAZDHGKNUFWQQ-LLVKDONJSA-N 0 0 377.388 0.689 10 0 GCAERN O=C(CN1CCOC[C@H](O)C1)Nc1cccc(I)c1 ZINC000295759096 530575141 /nfs/dbraw/zinc/57/51/41/530575141.db2.gz XUBNKZICGOIMAS-GFCCVEGCSA-N 0 0 376.194 0.923 10 0 GCAERN CS(=O)(=O)NCC1CCN(S(=O)(=O)CCOCc2ccccc2)CC1 ZINC000451534718 530584186 /nfs/dbraw/zinc/58/41/86/530584186.db2.gz NIDKFVZOVMGIBE-UHFFFAOYSA-N 0 0 390.527 0.794 10 0 GCAERN 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CCOC(=O)c1csc(CCNC(=O)NC[C@@H]2CCCS2(=O)=O)n1 ZINC000468661349 530681746 /nfs/dbraw/zinc/68/17/46/530681746.db2.gz UVLUFWNVGXALEU-JTQLQIEISA-N 0 0 375.472 0.739 10 0 GCAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000462869607 530654719 /nfs/dbraw/zinc/65/47/19/530654719.db2.gz WNDNCROKGCRYCE-UHFFFAOYSA-N 0 0 397.233 0.887 10 0 GCAERN CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333188025 530656021 /nfs/dbraw/zinc/65/60/21/530656021.db2.gz RJMFYLIMQVKHCJ-PMPSAXMXSA-N 0 0 394.559 0.877 10 0 GCAERN CO[C@H]1C[C@H](C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)N(S(C)(=O)=O)C1 ZINC000333205135 530656406 /nfs/dbraw/zinc/65/64/06/530656406.db2.gz OMCHBQNOJVEXJX-APIJFGDWSA-N 0 0 392.543 0.548 10 0 GCAERN CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)s1 ZINC000465486024 530666251 /nfs/dbraw/zinc/66/62/51/530666251.db2.gz MHNSDEZIMWQMJV-OAHLLOKOSA-N 0 0 386.499 0.468 10 0 GCAERN CNS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)s1 ZINC000465486023 530666285 /nfs/dbraw/zinc/66/62/85/530666285.db2.gz MHNSDEZIMWQMJV-HNNXBMFYSA-N 0 0 386.499 0.468 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@@H]2CCSC2)CC1 ZINC000466405550 530669153 /nfs/dbraw/zinc/66/91/53/530669153.db2.gz RTGKNOQJFMIURI-CYBMUJFWSA-N 0 0 384.527 0.932 10 0 GCAERN CN(Cc1nnnn1C)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000466852959 530671068 /nfs/dbraw/zinc/67/10/68/530671068.db2.gz LDPVPOZJNAMJIW-SNVBAGLBSA-N 0 0 393.245 0.984 10 0 GCAERN CN(Cc1nnnn1C)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000466850942 530671187 /nfs/dbraw/zinc/67/11/87/530671187.db2.gz CAOXRYXYAUUGPI-SNVBAGLBSA-N 0 0 393.245 0.984 10 0 GCAERN COCC[C@H](CO)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000467826560 530677776 /nfs/dbraw/zinc/67/77/76/530677776.db2.gz MPNIBZPIYVQLCJ-LLVKDONJSA-N 0 0 399.241 0.949 10 0 GCAERN O=C(CN1CCOCC1=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000468392853 530679871 /nfs/dbraw/zinc/67/98/71/530679871.db2.gz PLTPMYCLFRAISV-CYBMUJFWSA-N 0 0 385.258 0.575 10 0 GCAERN O=S(=O)(N1CCOCC1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1 ZINC000301613804 530680001 /nfs/dbraw/zinc/68/00/01/530680001.db2.gz UEMFJYCOZHFWBP-UHFFFAOYSA-N 0 0 384.355 0.337 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)NCCS(=O)(=O)N2CCSCC2)no1 ZINC000514595678 530685712 /nfs/dbraw/zinc/68/57/12/530685712.db2.gz BQVPEXQINAJANK-UHFFFAOYSA-N 0 0 391.519 0.545 10 0 GCAERN CCOC(=O)c1csc(CCNC(=O)N[C@@H](C)CCS(C)(=O)=O)n1 ZINC000469284747 530688150 /nfs/dbraw/zinc/68/81/50/530688150.db2.gz OGXNVBOSVOTKDE-JTQLQIEISA-N 0 0 377.488 0.985 10 0 GCAERN CCOC(=O)CN(C(=O)c1cc(OC)c(S(N)(=O)=O)s1)C1CCC1 ZINC000469314154 530688247 /nfs/dbraw/zinc/68/82/47/530688247.db2.gz IZIDZXLDMLWQPA-UHFFFAOYSA-N 0 0 376.456 0.962 10 0 GCAERN CO[C@@H](C)[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000470210285 530692732 /nfs/dbraw/zinc/69/27/32/530692732.db2.gz ATZOWYYOTWUYSV-UWVGGRQHSA-N 0 0 377.488 0.202 10 0 GCAERN Brc1ccccc1-n1nnnc1Cn1cc([C@H]2COCCN2)nn1 ZINC000641026945 530697380 /nfs/dbraw/zinc/69/73/80/530697380.db2.gz 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530707021 /nfs/dbraw/zinc/70/70/21/530707021.db2.gz RDXBITJPJGBTGU-OAHLLOKOSA-N 0 0 387.527 0.863 10 0 GCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000472661124 530707116 /nfs/dbraw/zinc/70/71/16/530707116.db2.gz SVLYXTXGLPRZJD-GASCZTMLSA-N 0 0 394.563 0.452 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000363183847 530710841 /nfs/dbraw/zinc/71/08/41/530710841.db2.gz GXUKCJIVVXPPOB-HNNXBMFYSA-N 0 0 383.495 0.864 10 0 GCAERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000473386836 530711509 /nfs/dbraw/zinc/71/15/09/530711509.db2.gz HFHPWLJUIBRYDP-CBAPKCEASA-N 0 0 382.364 0.191 10 0 GCAERN Cn1cc(Br)cc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c1=O ZINC000473692559 530712973 /nfs/dbraw/zinc/71/29/73/530712973.db2.gz POOIFRNZPMLRLK-JTQLQIEISA-N 0 0 387.234 0.253 10 0 GCAERN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ncsc2Br)C1 ZINC000579255648 530741104 /nfs/dbraw/zinc/74/11/04/530741104.db2.gz MCOXRIFIYHUCIO-ZETCQYMHSA-N 0 0 383.293 0.551 10 0 GCAERN CN(CC(=O)NC1(C(F)(F)F)CCOCC1)S(=O)(=O)c1cccnc1 ZINC000579421127 530743043 /nfs/dbraw/zinc/74/30/43/530743043.db2.gz MUCCMSDNMMJBAE-UHFFFAOYSA-N 0 0 381.376 0.930 10 0 GCAERN CC(C)c1nnc2n1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)[C@@H]2C ZINC000370520170 530743290 /nfs/dbraw/zinc/74/32/90/530743290.db2.gz UPUNNSDVKYSGGA-GFCCVEGCSA-N 0 0 393.535 0.389 10 0 GCAERN O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCN2CCOC[C@@H]2C1 ZINC000368318967 530722338 /nfs/dbraw/zinc/72/23/38/530722338.db2.gz ORYPPVWANVQKON-ZDUSSCGKSA-N 0 0 387.889 0.551 10 0 GCAERN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NC[C@@H](O)C(F)F ZINC000475225210 530723399 /nfs/dbraw/zinc/72/33/99/530723399.db2.gz UJPRFJKBOVJSAY-CQSZACIVSA-N 0 0 376.425 0.976 10 0 GCAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000368827660 530726725 /nfs/dbraw/zinc/72/67/25/530726725.db2.gz YSOKCELOKGYOOB-SECBINFHSA-N 0 0 377.825 0.283 10 0 GCAERN CCN(C)C(=O)[C@@H](C)NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000476488586 530733210 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C/C=C\C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)OCC ZINC000480880846 530772378 /nfs/dbraw/zinc/77/23/78/530772378.db2.gz JLDVFUGPFOOIGO-RNZFLTOJSA-N 0 0 376.456 0.661 10 0 GCAERN O=C(NCc1nccn1C(F)F)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000121530596 530781181 /nfs/dbraw/zinc/78/11/81/530781181.db2.gz LWMACJRZVMHPPI-LLVKDONJSA-N 0 0 377.417 0.988 10 0 GCAERN COCCN1C(=O)N[C@H]2CN(c3ncc(Br)c(OC)n3)CC[C@H]21 ZINC000582407186 530781809 /nfs/dbraw/zinc/78/18/09/530781809.db2.gz NOMZBMJRGSDEOT-WDEREUQCSA-N 0 0 386.250 0.867 10 0 GCAERN Cn1nc(Br)c2c1ncn(CC(=O)N1CCO[C@H](C3CC3)C1)c2=O ZINC000373600310 530782293 /nfs/dbraw/zinc/78/22/93/530782293.db2.gz YAQOQRAWAXTCQF-JTQLQIEISA-N 0 0 396.245 0.530 10 0 GCAERN COCCN(CCOC)S(=O)(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000373690206 530783689 /nfs/dbraw/zinc/78/36/89/530783689.db2.gz RBFSOJKIRCWQNP-CYBMUJFWSA-N 0 0 375.495 0.618 10 0 GCAERN CCS(=O)(=O)N(C)CCCNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000482270194 530783950 /nfs/dbraw/zinc/78/39/50/530783950.db2.gz 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ZINC000052247358 1192338579 /nfs/dbraw/zinc/33/85/79/1192338579.db2.gz KOLIFLFTXHTTDJ-MOPGFXCFSA-N 0 0 392.544 0.787 10 0 GCAERN CO[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC[C@H]1C ZINC000408254590 1192342992 /nfs/dbraw/zinc/34/29/92/1192342992.db2.gz DQAZCYHWFXXUJW-CZUORRHYSA-N 0 0 399.517 0.640 10 0 GCAERN CC1(C)CN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC000408264810 1192348814 /nfs/dbraw/zinc/34/88/14/1192348814.db2.gz HESXYWBLYLMBNJ-XQLPTFJDSA-N 0 0 386.514 0.325 10 0 GCAERN CC(C)C(=O)N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000408264869 1192348824 /nfs/dbraw/zinc/34/88/24/1192348824.db2.gz NALFJRBDDYHXDO-UHFFFAOYSA-N 0 0 394.497 0.257 10 0 GCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000728881174 1192349412 /nfs/dbraw/zinc/34/94/12/1192349412.db2.gz SIDRSCDQCNOGSJ-CZUORRHYSA-N 0 0 382.530 0.499 10 0 GCAERN Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000408279782 1192360337 /nfs/dbraw/zinc/36/03/37/1192360337.db2.gz CGOPYHUKJAVCLO-IAGOWNOFSA-N 0 0 391.493 0.700 10 0 GCAERN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000408281385 1192364270 /nfs/dbraw/zinc/36/42/70/1192364270.db2.gz UWBGBMDSUFLWIP-HUUCEWRRSA-N 0 0 398.481 0.238 10 0 GCAERN CC(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)N(C)C(=O)[C@H]1CCCN1C(C)=O ZINC000637039907 1192371785 /nfs/dbraw/zinc/37/17/85/1192371785.db2.gz FIGXROWBIMVJRJ-HZPDHXFCSA-N 0 0 380.489 0.361 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000585734255 1192399767 /nfs/dbraw/zinc/39/97/67/1192399767.db2.gz WAWLWXACKZFHKX-UHFFFAOYSA-N 0 0 386.518 0.456 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000585734135 1192399857 /nfs/dbraw/zinc/39/98/57/1192399857.db2.gz RFPSZLXCPRELAN-OAHLLOKOSA-N 0 0 383.445 0.720 10 0 GCAERN Cc1nn(C)c2nc(C)c(CC(=O)NCCCN3CCCS3(=O)=O)c(C)c12 ZINC000585734198 1192400085 /nfs/dbraw/zinc/40/00/85/1192400085.db2.gz UKTIYYZYJNPVTG-UHFFFAOYSA-N 0 0 393.513 0.978 10 0 GCAERN Cc1cccc2c(=O)n(CCC(=O)NCCCN3CCCS3(=O)=O)cnc12 ZINC000585735799 1192400324 /nfs/dbraw/zinc/40/03/24/1192400324.db2.gz JFFYIKMMODDKDM-UHFFFAOYSA-N 0 0 392.481 0.637 10 0 GCAERN C[C@@H]1CN(c2ccc(C(=O)NCCCN3CCCS3(=O)=O)cn2)C[C@@H](C)O1 ZINC000585734943 1192400427 /nfs/dbraw/zinc/40/04/27/1192400427.db2.gz JATXDOSWRAVWTN-HUUCEWRRSA-N 0 0 396.513 0.851 10 0 GCAERN Cc1nc2ncnn2c(C)c1CCC(=O)NCCCN1CCCS1(=O)=O ZINC000585736263 1192400495 /nfs/dbraw/zinc/40/04/95/1192400495.db2.gz IJGNJGAVPJYPSM-UHFFFAOYSA-N 0 0 380.474 0.216 10 0 GCAERN Cc1ccc(CN2C[C@@H](C(=O)NCCCN3CCCS3(=O)=O)CC2=O)cc1 ZINC000585738237 1192401478 /nfs/dbraw/zinc/40/14/78/1192401478.db2.gz SPNRNCQISSLTCE-KRWDZBQOSA-N 0 0 393.509 0.885 10 0 GCAERN Cc1ccc2c(c1)C(=O)N(CC(=O)NCCCN1CCCS1(=O)=O)C2=O ZINC000585737000 1192401483 /nfs/dbraw/zinc/40/14/83/1192401483.db2.gz XZGKGCURMLVXMB-UHFFFAOYSA-N 0 0 379.438 0.133 10 0 GCAERN O=C(CCCN1C(=O)c2ccccc2C1=O)NCCCN1CCCS1(=O)=O ZINC000585738252 1192401844 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10 0 GCAERN O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)Nc1ccc2nccn2c1 ZINC000606582750 1192498610 /nfs/dbraw/zinc/49/86/10/1192498610.db2.gz BUVKNRYZEFUXPV-AWEZNQCLSA-N 0 0 381.458 0.944 10 0 GCAERN NC(=O)Cn1cc(NC(=O)C(=O)NC2(CCOCc3ccccc3)CC2)cn1 ZINC000434545433 1192514327 /nfs/dbraw/zinc/51/43/27/1192514327.db2.gz XCEDKHYNAIQEEN-UHFFFAOYSA-N 0 0 385.424 0.563 10 0 GCAERN C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CCN1CCO ZINC000187277057 1192522016 /nfs/dbraw/zinc/52/20/16/1192522016.db2.gz QQELANBIAHRYSE-FXAWDEMLSA-N 0 0 396.491 0.948 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCO[C@@H](C)[C@H]1C(F)(F)F ZINC000637417106 1192539520 /nfs/dbraw/zinc/53/95/20/1192539520.db2.gz MBSSMWKJAYHJNI-ONGXEEELSA-N 0 0 381.395 0.974 10 0 GCAERN C[C@@H]1Cc2cc(C(=O)N3CCN(CCO)[C@@H](C)C3)ccc2N1S(C)(=O)=O ZINC000408376646 1192572743 /nfs/dbraw/zinc/57/27/43/1192572743.db2.gz XKDUYAYCCDEMAO-KGLIPLIRSA-N 0 0 381.498 0.536 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](Cn3ccnn3)C2)c1 ZINC000617267056 1192589495 /nfs/dbraw/zinc/58/94/95/1192589495.db2.gz FFPWQLHLXUIIOK-AWEZNQCLSA-N 0 0 391.453 0.308 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(C)cc(=O)[nH]2)CC1 ZINC000408386869 1192593985 /nfs/dbraw/zinc/59/39/85/1192593985.db2.gz RXGACPZFBCEITQ-UHFFFAOYSA-N 0 0 380.426 0.847 10 0 GCAERN CCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3nc(C)no3)CC2)cc1 ZINC000512338794 1192614025 /nfs/dbraw/zinc/61/40/25/1192614025.db2.gz WMHWSSRSLSCJJW-UHFFFAOYSA-N 0 0 387.440 0.851 10 0 GCAERN Cc1noc(CN2CCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000512338955 1192614174 /nfs/dbraw/zinc/61/41/74/1192614174.db2.gz YMGBPNPJQMFTFT-UHFFFAOYSA-N 0 0 387.396 0.181 10 0 GCAERN O=C(CN1CCN(C(=O)c2cc3nccnc3cc2F)CC1)N1CCOCC1 ZINC000279932455 1192839919 /nfs/dbraw/zinc/83/99/19/1192839919.db2.gz LBJUFBNSPICZJM-UHFFFAOYSA-N 0 0 387.415 0.386 10 0 GCAERN COc1c(F)cc(CC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1S(N)(=O)=O ZINC000473264577 1192847580 /nfs/dbraw/zinc/84/75/80/1192847580.db2.gz ORSFGAYIJGGCBV-PBHICJAKSA-N 0 0 394.424 0.799 10 0 GCAERN CC[C@@H](C(=O)OC)C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000549707237 1192858797 /nfs/dbraw/zinc/85/87/97/1192858797.db2.gz GFJGEROZILZMBD-CYBMUJFWSA-N 0 0 383.470 0.443 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000473314944 1192862856 /nfs/dbraw/zinc/86/28/56/1192862856.db2.gz LCYGYCMBTDOLOB-CYBMUJFWSA-N 0 0 388.428 0.075 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CO)CC2CCCC2)c1 ZINC000549738193 1192865972 /nfs/dbraw/zinc/86/59/72/1192865972.db2.gz KCGIFVXVRPAJKO-AWEZNQCLSA-N 0 0 383.470 0.591 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)NC)c2C)C1 ZINC000473336099 1192869149 /nfs/dbraw/zinc/86/91/49/1192869149.db2.gz VRUKOKDXLKQVCE-LBPRGKRZSA-N 0 0 375.429 0.213 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CS3)C1 ZINC000473342017 1192870375 /nfs/dbraw/zinc/87/03/75/1192870375.db2.gz DKFYAMFFFXONGO-LLVKDONJSA-N 0 0 391.453 0.589 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)C1 ZINC000473347882 1192874111 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GCAERN O=C(NCCOC[C@H]1CCCO1)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000581027735 1185473263 /nfs/dbraw/zinc/47/32/63/1185473263.db2.gz AUWXVHUBKDJMBQ-OAHLLOKOSA-N 0 0 380.420 0.181 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000684136957 1185475776 /nfs/dbraw/zinc/47/57/76/1185475776.db2.gz UGCNHJASHPLWCM-FQEVSTJZSA-N 0 0 383.448 0.645 10 0 GCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC2(CCOCC2)O1 ZINC000684136954 1185475815 /nfs/dbraw/zinc/47/58/15/1185475815.db2.gz HAZWZFGINVKVNY-GDBMZVCRSA-N 0 0 381.473 0.746 10 0 GCAERN Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510366663 1185515689 /nfs/dbraw/zinc/51/56/89/1185515689.db2.gz HRGWDQWVKQUMFP-GFCCVEGCSA-N 0 0 391.453 0.676 10 0 GCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@@H](C)O[C@]3(CCOC3)C1)CC2 ZINC000581149734 1185516852 /nfs/dbraw/zinc/51/68/52/1185516852.db2.gz YOGLSSHFXJXWSS-PJIJBLCYSA-N 0 0 391.472 0.239 10 0 GCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)N1C[C@@H](C)O[C@]3(CCOC3)C1)CC2 ZINC000581149732 1185517107 /nfs/dbraw/zinc/51/71/07/1185517107.db2.gz YOGLSSHFXJXWSS-BIENJYKASA-N 0 0 391.472 0.239 10 0 GCAERN O=C(CN1CCOCC1=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000684162270 1185535395 /nfs/dbraw/zinc/53/53/95/1185535395.db2.gz ACLRAPWXWOQMAY-INIZCTEOSA-N 0 0 381.860 0.376 10 0 GCAERN CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000276063672 1185540885 /nfs/dbraw/zinc/54/08/85/1185540885.db2.gz QHKFKXKRTPBBBN-KSSFIOAISA-N 0 0 381.498 0.952 10 0 GCAERN Cc1cc(N2CC[C@H](NC(=O)N3CCCN(c4cccnn4)CC3)C2=O)n(C)n1 ZINC000581225509 1185541437 /nfs/dbraw/zinc/54/14/37/1185541437.db2.gz FYXCKTNOPKSREK-HNNXBMFYSA-N 0 0 398.471 0.546 10 0 GCAERN CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000785038843 1185569406 /nfs/dbraw/zinc/56/94/06/1185569406.db2.gz GJCGTXGDEWDWSI-UHFFFAOYSA-N 0 0 397.497 0.743 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)[C@H](C)C1 ZINC000430567241 1185615370 /nfs/dbraw/zinc/61/53/70/1185615370.db2.gz 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O=C(NCc1cccc(N2CCOCC2)n1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000548173658 1185692125 /nfs/dbraw/zinc/69/21/25/1185692125.db2.gz MPFQWHWYJXKLMR-UHFFFAOYSA-N 0 0 381.392 0.378 10 0 GCAERN C[C@@H](NC(=O)C(=O)NCc1ccn(C)n1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000581447394 1185697824 /nfs/dbraw/zinc/69/78/24/1185697824.db2.gz QIIGDQSXFJNVSZ-QAPCUYQASA-N 0 0 385.468 0.442 10 0 GCAERN Cc1cnn(Cc2cc(C(=O)NC[C@@H]3CCC[C@H]3NS(C)(=O)=O)no2)c1 ZINC000156233554 1185725689 /nfs/dbraw/zinc/72/56/89/1185725689.db2.gz IBDHQEKXHBGTAV-GXTWGEPZSA-N 0 0 381.458 0.676 10 0 GCAERN O=C(N[C@H]1CCOC2(CCC2)C1)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000581514877 1185735445 /nfs/dbraw/zinc/73/54/45/1185735445.db2.gz MXKFGGPBTUWPEU-IRXDYDNUSA-N 0 0 379.501 0.918 10 0 GCAERN O=C(Nc1cc([C@H]2CCCO2)[nH]n1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000684354402 1185799601 /nfs/dbraw/zinc/79/96/01/1185799601.db2.gz WCBPFQHNTRBPHP-DZGCQCFKSA-N 0 0 377.445 0.380 10 0 GCAERN Cn1cc(CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c(C(F)(F)F)n1 ZINC000156322924 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Cn1c(=O)ccc2ccc(NC(=O)C(=O)NCC3([S@@](C)=O)CCC3)cc21 ZINC000437141151 1195075527 /nfs/dbraw/zinc/07/55/27/1195075527.db2.gz JERBCAHXGCVBFB-AREMUKBSSA-N 0 0 375.450 0.894 10 0 GCAERN COC(=O)[C@@H]1CCN(CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C(=O)OC)C1 ZINC000506027213 1195095071 /nfs/dbraw/zinc/09/50/71/1195095071.db2.gz KHNFZCGEAZWANT-DGCLKSJQSA-N 0 0 378.381 0.780 10 0 GCAERN O=C(NC[C@@H](c1ccco1)N1CCCC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000549990440 1195110218 /nfs/dbraw/zinc/11/02/18/1195110218.db2.gz ATYULVLQCGUDPC-HOTGVXAUSA-N 0 0 376.457 0.076 10 0 GCAERN CC(=O)N1CC[C@@H](CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000516975316 1195119191 /nfs/dbraw/zinc/11/91/91/1195119191.db2.gz SCCYBYOYWKWPQG-HNNXBMFYSA-N 0 0 395.481 0.306 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)Nc2cccc3c2OCCO3)c1 ZINC000437507120 1195120477 /nfs/dbraw/zinc/12/04/77/1195120477.db2.gz KNMZUCNKCSTRAJ-UHFFFAOYSA-N 0 0 391.405 0.943 10 0 GCAERN O=C(NCC1(CO)COC1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000437766509 1195154395 /nfs/dbraw/zinc/15/43/95/1195154395.db2.gz TYENYCHMMXYSKA-AWEZNQCLSA-N 0 0 384.454 0.770 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@H](C(=O)OC)C2CCOCC2)c1 ZINC000517413131 1195180771 /nfs/dbraw/zinc/18/07/71/1195180771.db2.gz UYTNIKJKFVEHJW-HNNXBMFYSA-N 0 0 384.454 0.540 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC(F)(F)C[C@@H]2CO)c1 ZINC000366688777 1195194654 /nfs/dbraw/zinc/19/46/54/1195194654.db2.gz YEDCOZZRDWQOFA-CYBMUJFWSA-N 0 0 390.408 0.786 10 0 GCAERN O=C(NCC1(CO)COC1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC000438217492 1195196411 /nfs/dbraw/zinc/19/64/11/1195196411.db2.gz UKYNKJHRXHDFPY-UHFFFAOYSA-N 0 0 383.401 0.693 10 0 GCAERN COCCCn1ccc(NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)n1 ZINC000438316429 1195204345 /nfs/dbraw/zinc/20/43/45/1195204345.db2.gz WBVNQSIBCZEYDT-UHFFFAOYSA-N 0 0 392.504 0.985 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)COc2cccnc2)CC1 ZINC000517665547 1195205431 /nfs/dbraw/zinc/20/54/31/1195205431.db2.gz JTIICAHGISJHDO-UHFFFAOYSA-N 0 0 390.465 0.717 10 0 GCAERN COc1cc2c(cc1OC)CN(CC(=O)NC[C@H](O)COCC1CC1)CC2 ZINC000438545810 1195225595 /nfs/dbraw/zinc/22/55/95/1195225595.db2.gz NPGZJRLGFMVYJW-KRWDZBQOSA-N 0 0 378.469 0.966 10 0 GCAERN CCCCn1c2nc(CN3CCSC[C@@H]3CCO)n(C)c2c(=O)[nH]c1=O ZINC000438643400 1195233207 /nfs/dbraw/zinc/23/32/07/1195233207.db2.gz FOJURFPGMVCRKT-LBPRGKRZSA-N 0 0 381.502 0.936 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1 ZINC000518024634 1195238507 /nfs/dbraw/zinc/23/85/07/1195238507.db2.gz LRNKEFIWFUPYBC-DOMZBBRYSA-N 0 0 395.481 0.670 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000518048440 1195241491 /nfs/dbraw/zinc/24/14/91/1195241491.db2.gz KRARMUBVDGRXQL-DCGLDWPTSA-N 0 0 389.452 0.532 10 0 GCAERN O=C(NCCCN1CCCCC1=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000518059073 1195244200 /nfs/dbraw/zinc/24/42/00/1195244200.db2.gz OORKGUYQRNFQGR-UHFFFAOYSA-N 0 0 388.468 0.981 10 0 GCAERN O=C(CN1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1)N1CCCC1 ZINC000120845533 1195252695 /nfs/dbraw/zinc/25/26/95/1195252695.db2.gz APEJLEVJAYIWED-UHFFFAOYSA-N 0 0 398.467 0.831 10 0 GCAERN CCC(=O)N[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000509557618 1195257337 /nfs/dbraw/zinc/25/73/37/1195257337.db2.gz GPGKMJASRLUFLV-GFCCVEGCSA-N 0 0 393.469 0.358 10 0 GCAERN Cc1c(C(=O)N2CC(=O)Nc3ccccc32)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438905719 1195268381 /nfs/dbraw/zinc/26/83/81/1195268381.db2.gz SLDZZMXNVBHJHU-UHFFFAOYSA-N 0 0 379.376 0.540 10 0 GCAERN COC[C@@](C)(NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C)C(F)(F)F ZINC000438926850 1195271268 /nfs/dbraw/zinc/27/12/68/1195271268.db2.gz ODMQUXBMLDWPOR-OAHLLOKOSA-N 0 0 388.346 0.638 10 0 GCAERN COC[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)C1 ZINC000518285747 1195275089 /nfs/dbraw/zinc/27/50/89/1195275089.db2.gz HTUILVGYHDPUAZ-HNNXBMFYSA-N 0 0 389.452 0.901 10 0 GCAERN COC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)C1 ZINC000518285752 1195275386 /nfs/dbraw/zinc/27/53/86/1195275386.db2.gz HTUILVGYHDPUAZ-OAHLLOKOSA-N 0 0 389.452 0.901 10 0 GCAERN CC(=O)c1ccc(N2CCN(C(=O)CN3CCOC[C@@H](O)C3)CC2)c(F)c1 ZINC000295529680 1195283526 /nfs/dbraw/zinc/28/35/26/1195283526.db2.gz IWSUOSLAXCTRJH-INIZCTEOSA-N 0 0 379.432 0.370 10 0 GCAERN CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)OC)CC1 ZINC000518503716 1195296679 /nfs/dbraw/zinc/29/66/79/1195296679.db2.gz BAUQTAWBAAOKBO-LSDHHAIUSA-N 0 0 389.518 0.791 10 0 GCAERN CCN1C(=O)CCc2cc(NC(=O)C(=O)N(C)CCN3CCOCC3)ccc21 ZINC000439559709 1195332476 /nfs/dbraw/zinc/33/24/76/1195332476.db2.gz DJAJUTLLWIBZRC-UHFFFAOYSA-N 0 0 388.468 0.715 10 0 GCAERN CC(C)COCCC(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000518942046 1195350120 /nfs/dbraw/zinc/35/01/20/1195350120.db2.gz RNDURUNLTHPIPG-QGZVFWFLSA-N 0 0 390.546 0.787 10 0 GCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)O1 ZINC000439824282 1195357296 /nfs/dbraw/zinc/35/72/96/1195357296.db2.gz GAFLEEIIXCVJMH-GJZGRUSLSA-N 0 0 388.424 0.114 10 0 GCAERN O=C(NC[C@@H]1CCCCS1(=O)=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439858744 1195360637 /nfs/dbraw/zinc/36/06/37/1195360637.db2.gz XNSXPUNNDGJZTL-AWEZNQCLSA-N 0 0 379.438 0.445 10 0 GCAERN CC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000506701698 1195361807 /nfs/dbraw/zinc/36/18/07/1195361807.db2.gz OKCQZYYQDMQNJK-HIFRSBDPSA-N 0 0 381.454 0.662 10 0 GCAERN COC[C@@H]1CN(C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)C[C@@H](C)O1 ZINC000439946720 1195367331 /nfs/dbraw/zinc/36/73/31/1195367331.db2.gz VBBWBVSJLDOONV-PWSUYJOCSA-N 0 0 390.433 0.287 10 0 GCAERN O=C(CCCCN1C(=O)c2ccccc2C1=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000519174416 1195376640 /nfs/dbraw/zinc/37/66/40/1195376640.db2.gz NDPOJNQQIOOIQD-AWEZNQCLSA-N 0 0 384.392 0.216 10 0 GCAERN CS(=O)(=O)[C@H]1CCCCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)C1 ZINC000440027059 1195377838 /nfs/dbraw/zinc/37/78/38/1195377838.db2.gz ZTRMRUMMKAZIKY-HNNXBMFYSA-N 0 0 393.465 0.788 10 0 GCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)C(=O)Nc1cncc(F)c1 ZINC000440045722 1195379651 /nfs/dbraw/zinc/37/96/51/1195379651.db2.gz QKTQCEHHZVQIKJ-UHFFFAOYSA-N 0 0 377.420 0.220 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000440136461 1195388820 /nfs/dbraw/zinc/38/88/20/1195388820.db2.gz NHMZELXLTGMLPI-CLLJXQQHSA-N 0 0 383.470 0.853 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(-c3ccccn3)[nH]c2=O)CC1 ZINC000519359512 1195395219 /nfs/dbraw/zinc/39/52/19/1195395219.db2.gz ZOJHAOYHOBDLNF-UHFFFAOYSA-N 0 0 397.435 0.660 10 0 GCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000440299952 1195405910 /nfs/dbraw/zinc/40/59/10/1195405910.db2.gz ASVMLVRSGNLSJK-LLVKDONJSA-N 0 0 382.424 0.977 10 0 GCAERN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCN(CCO)[C@H](C)C1 ZINC000187651698 1195419460 /nfs/dbraw/zinc/41/94/60/1195419460.db2.gz TUOJQHRMKIAFRB-SJORKVTESA-N 0 0 376.501 0.745 10 0 GCAERN CC(C)CCNC(=O)C1CCN(C(=O)CN2CCN(CCO)[C@@H](C)C2)CC1 ZINC000187689457 1195420397 /nfs/dbraw/zinc/42/03/97/1195420397.db2.gz ITKOGANRGPZBMP-KRWDZBQOSA-N 0 0 382.549 0.386 10 0 GCAERN C[C@@H]1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CCN1CCO ZINC000187668067 1195421008 /nfs/dbraw/zinc/42/10/08/1195421008.db2.gz ZNQRTNQNZIDPJQ-QGZVFWFLSA-N 0 0 376.501 0.456 10 0 GCAERN CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@@H]1CCCCO1 ZINC000550050108 1195424762 /nfs/dbraw/zinc/42/47/62/1195424762.db2.gz TYUQHHYWVFGPKY-CVEARBPZSA-N 0 0 392.504 0.506 10 0 GCAERN CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@@H]1CCCCO1 ZINC000550050109 1195424942 /nfs/dbraw/zinc/42/49/42/1195424942.db2.gz TYUQHHYWVFGPKY-HOTGVXAUSA-N 0 0 392.504 0.506 10 0 GCAERN c1nnnn1C1(Cc2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)CCOCC1 ZINC000664817298 1195430205 /nfs/dbraw/zinc/43/02/05/1195430205.db2.gz BXCNPBLYNALMNO-ZIAGYGMSSA-N 0 0 375.433 0.730 10 0 GCAERN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000473660707 1195431882 /nfs/dbraw/zinc/43/18/82/1195431882.db2.gz MVHNPPUYKZFECD-SWLSCSKDSA-N 0 0 378.429 0.765 10 0 GCAERN CO[C@H](C)C(=O)Nc1cccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000473660704 1195431992 /nfs/dbraw/zinc/43/19/92/1195431992.db2.gz MVHNPPUYKZFECD-DOMZBBRYSA-N 0 0 378.429 0.765 10 0 GCAERN CCCOCC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506847528 1195434029 /nfs/dbraw/zinc/43/40/29/1195434029.db2.gz ZHGAKXQWPIKJSY-MRXNPFEDSA-N 0 0 377.489 0.795 10 0 GCAERN CNC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)cc1 ZINC000040156729 1195434070 /nfs/dbraw/zinc/43/40/70/1195434070.db2.gz HSFLSTHGQRINHF-UHFFFAOYSA-N 0 0 382.530 0.693 10 0 GCAERN NC(=O)CCSc1ccccc1NC(=O)N[C@H]1CCCN(CCO)C1=O ZINC000473667544 1195434398 /nfs/dbraw/zinc/43/43/98/1195434398.db2.gz VVUFYRGMNZWHMS-ZDUSSCGKSA-N 0 0 380.470 0.759 10 0 GCAERN Cc1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c(OCC(=O)N(C)C)c1 ZINC000473682366 1195440552 /nfs/dbraw/zinc/44/05/52/1195440552.db2.gz YQFIVZNBWKZDJZ-OAHLLOKOSA-N 0 0 392.456 0.567 10 0 GCAERN O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)C(=O)N1CC[C@@H](O)C1 ZINC000473714237 1195448743 /nfs/dbraw/zinc/44/87/43/1195448743.db2.gz QAWORYGXEKBZGM-KGLIPLIRSA-N 0 0 382.438 0.171 10 0 GCAERN O=C(NCc1nnc2n1CCC2)C(=O)NCC1CCN(c2ccccc2)CC1 ZINC000550182326 1195455402 /nfs/dbraw/zinc/45/54/02/1195455402.db2.gz QVVQHFAJODYGGT-UHFFFAOYSA-N 0 0 382.468 0.873 10 0 GCAERN COc1ccc([C@H](NC(=O)C(=O)N2CC[C@@H]([C@@H](C)O)C2)c2nccn2C)cc1 ZINC000550192986 1195456514 /nfs/dbraw/zinc/45/65/14/1195456514.db2.gz WYHTWRLCMHBRSX-UNEWFSDZSA-N 0 0 386.452 0.864 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000550192621 1195457001 /nfs/dbraw/zinc/45/70/01/1195457001.db2.gz IGQBOWYXAJRANG-SNVBAGLBSA-N 0 0 398.345 0.015 10 0 GCAERN Cc1cc(CN(C)C(=O)C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)no1 ZINC000550194919 1195457553 /nfs/dbraw/zinc/45/75/53/1195457553.db2.gz XQRNXEKIENYJQM-AWEZNQCLSA-N 0 0 387.440 0.878 10 0 GCAERN CCCNC(=O)c1cccc(CNC(=O)C(=O)NCc2nnc3ccccn32)c1 ZINC000550194823 1195458119 /nfs/dbraw/zinc/45/81/19/1195458119.db2.gz SWLIOJRCDAOSSM-UHFFFAOYSA-N 0 0 394.435 0.802 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000550196157 1195458815 /nfs/dbraw/zinc/45/88/15/1195458815.db2.gz NJASHQWDNBFUHL-UHFFFAOYSA-N 0 0 385.453 0.146 10 0 GCAERN Cc1nnc(CN(C)CC(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)n1C ZINC000121504922 1195459929 /nfs/dbraw/zinc/45/99/29/1195459929.db2.gz BOIZJJBZOLPFSH-UXLLHSPISA-N 0 0 378.521 0.656 10 0 GCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CC(=O)OC)Cc1ccccc1 ZINC000304725244 1195463197 /nfs/dbraw/zinc/46/31/97/1195463197.db2.gz YAZCQJIIMPUBCA-UHFFFAOYSA-N 0 0 381.410 0.950 10 0 GCAERN CCN1CCN(C(=O)C(=O)N[C@H](c2nccn2C)c2ccc(OC)cc2)CC1=O ZINC000550239753 1195466584 /nfs/dbraw/zinc/46/65/84/1195466584.db2.gz HGZABLAWYJDKIO-KRWDZBQOSA-N 0 0 399.451 0.325 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000550240254 1195466613 /nfs/dbraw/zinc/46/66/13/1195466613.db2.gz SDYHMAMKEICIHG-UHFFFAOYSA-N 0 0 379.432 0.580 10 0 GCAERN COc1ccc([C@H](NC(=O)C(=O)N(C)CCOCCO)c2nccn2C)cc1 ZINC000550237302 1195466820 /nfs/dbraw/zinc/46/68/20/1195466820.db2.gz KPTROCUFWRKJDA-INIZCTEOSA-N 0 0 390.440 0.102 10 0 GCAERN CCS(=O)(=O)N1CCN(C(=O)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000550246289 1195467727 /nfs/dbraw/zinc/46/77/27/1195467727.db2.gz PZCMTHFQRNAIDW-UHFFFAOYSA-N 0 0 381.498 0.918 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2noc(CN(C)C)n2)c1 ZINC000507161476 1195499287 /nfs/dbraw/zinc/49/92/87/1195499287.db2.gz KQMSPINFUJYPLC-UHFFFAOYSA-N 0 0 381.458 0.704 10 0 GCAERN Cc1cc(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)nc2c1c(=O)n(C)c(=O)n2C ZINC000473852507 1195501988 /nfs/dbraw/zinc/50/19/88/1195501988.db2.gz BRUCAPYGZBNVOZ-LBPRGKRZSA-N 0 0 384.396 0.768 10 0 GCAERN COc1cccc(-c2cc(NC(=O)C(=O)N(C)[C@H]3CCN(C)C3=O)n(C)n2)c1 ZINC000507447398 1195522379 /nfs/dbraw/zinc/52/23/79/1195522379.db2.gz WQEQAWKBKVIESD-HNNXBMFYSA-N 0 0 385.424 0.723 10 0 GCAERN O=C(NCCCc1nnc2ccccn21)NCC1(OCCO)CCOCC1 ZINC000507562891 1195534346 /nfs/dbraw/zinc/53/43/46/1195534346.db2.gz ASAIIJYXHQHSPQ-UHFFFAOYSA-N 0 0 377.445 0.519 10 0 GCAERN Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4c[nH]nc4C)CC3)C2=O)n(C)n1 ZINC000507588408 1195537312 /nfs/dbraw/zinc/53/73/12/1195537312.db2.gz MMSNKZMMKYIKAJ-INIZCTEOSA-N 0 0 385.472 0.713 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000487383453 1195545475 /nfs/dbraw/zinc/54/54/75/1195545475.db2.gz XJHQSEHVVVQJBF-QWHCGFSZSA-N 0 0 398.481 0.540 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H](C)c2nncn2C)cc1C ZINC000507681129 1195546652 /nfs/dbraw/zinc/54/66/52/1195546652.db2.gz ZXOUHEIGYMHWMU-CQSZACIVSA-N 0 0 379.486 0.972 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)cn1C ZINC000519621315 1195558284 /nfs/dbraw/zinc/55/82/84/1195558284.db2.gz PLLUOGSIYAXPSW-HNNXBMFYSA-N 0 0 398.529 0.458 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)cn1C ZINC000519621317 1195558482 /nfs/dbraw/zinc/55/84/82/1195558482.db2.gz PLLUOGSIYAXPSW-OAHLLOKOSA-N 0 0 398.529 0.458 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)[C@@H](C)C1 ZINC000440562209 1195562512 /nfs/dbraw/zinc/56/25/12/1195562512.db2.gz CGGIWEKWXSSEEW-NSHDSACASA-N 0 0 399.444 0.388 10 0 GCAERN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CCN(C(C)=O)C[C@H]3C)cc21 ZINC000440563935 1195562617 /nfs/dbraw/zinc/56/26/17/1195562617.db2.gz IDXKWEDAUDQJGF-CYBMUJFWSA-N 0 0 399.451 0.405 10 0 GCAERN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000519700612 1195563950 /nfs/dbraw/zinc/56/39/50/1195563950.db2.gz BFCZINMGMGVEDU-MJBXVCDLSA-N 0 0 383.514 0.578 10 0 GCAERN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000519700604 1195564126 /nfs/dbraw/zinc/56/41/26/1195564126.db2.gz BFCZINMGMGVEDU-MGPQQGTHSA-N 0 0 383.514 0.578 10 0 GCAERN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000519700589 1195564264 /nfs/dbraw/zinc/56/42/64/1195564264.db2.gz BFCZINMGMGVEDU-BFHYXJOUSA-N 0 0 383.514 0.578 10 0 GCAERN O=C(NCCOCC1CCC1)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000519735873 1195567386 /nfs/dbraw/zinc/56/73/86/1195567386.db2.gz SEUQCRDVSNIECT-HNNXBMFYSA-N 0 0 387.436 0.763 10 0 GCAERN CCn1ncc2ccc(NC(=O)C(=O)N3CCN(Cc4nnc(C)[nH]4)CC3)cc21 ZINC000440748982 1195580435 /nfs/dbraw/zinc/58/04/35/1195580435.db2.gz GEXZHYMGULWRBQ-UHFFFAOYSA-N 0 0 396.455 0.766 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cnn([C@@H](C)C4CC4)c3)CC2)[nH]1 ZINC000440750158 1195580607 /nfs/dbraw/zinc/58/06/07/1195580607.db2.gz SUXWBSVKHKIQQJ-LBPRGKRZSA-N 0 0 386.460 0.564 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cccc([S@@](C)=O)c3)CC2)[nH]1 ZINC000440761276 1195582121 /nfs/dbraw/zinc/58/21/21/1195582121.db2.gz NYEMRSIZDOZPIU-HHHXNRCGSA-N 0 0 390.469 0.133 10 0 GCAERN CCOCc1ccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)cc1 ZINC000440761839 1195582133 /nfs/dbraw/zinc/58/21/33/1195582133.db2.gz OTLIXXQPLUSZPU-UHFFFAOYSA-N 0 0 386.456 0.933 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cccc(C(=O)N(C)C)c3)CC2)[nH]1 ZINC000440766102 1195582554 /nfs/dbraw/zinc/58/25/54/1195582554.db2.gz XLLHBDUCYRVOND-UHFFFAOYSA-N 0 0 399.455 0.098 10 0 GCAERN CN(CCNC(=O)NC(C)(C)COCc1ccccc1)Cc1nnnn1C ZINC000440782215 1195583159 /nfs/dbraw/zinc/58/31/59/1195583159.db2.gz DFSNDROMRDMBGS-UHFFFAOYSA-N 0 0 375.477 0.937 10 0 GCAERN CCO[C@@H]1C[C@@](NC(=O)CSc2nnnn2C2CC2)(C(=O)OC)C1(C)C ZINC000440883289 1195586983 /nfs/dbraw/zinc/58/69/83/1195586983.db2.gz XZXQRVDRWXYRIK-BDJLRTHQSA-N 0 0 383.474 0.963 10 0 GCAERN COc1c(F)cc(CC(=O)N[C@H](C)CO[C@H]2CCOC2)cc1S(N)(=O)=O ZINC000440873739 1195587955 /nfs/dbraw/zinc/58/79/55/1195587955.db2.gz KDNQFXJHDXLUDY-PWSUYJOCSA-N 0 0 390.433 0.334 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CO)c2ccc(F)cc2)c1 ZINC000440900143 1195588369 /nfs/dbraw/zinc/58/83/69/1195588369.db2.gz AJDWFOSBIGHLHH-OAHLLOKOSA-N 0 0 395.412 0.522 10 0 GCAERN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000440998236 1195595518 /nfs/dbraw/zinc/59/55/18/1195595518.db2.gz MNJNPSIXPRAHCL-INIZCTEOSA-N 0 0 377.441 0.102 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2nccnc2C)CC1 ZINC000441108808 1195604112 /nfs/dbraw/zinc/60/41/12/1195604112.db2.gz FJNTUXZPZIYMHJ-KGLIPLIRSA-N 0 0 392.460 0.073 10 0 GCAERN O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)C(=O)N1CCCOCC1 ZINC000520197464 1195606950 /nfs/dbraw/zinc/60/69/50/1195606950.db2.gz DTTKOZIUFQGASH-HNNXBMFYSA-N 0 0 396.465 0.827 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000520259193 1195611132 /nfs/dbraw/zinc/61/11/32/1195611132.db2.gz YJQGXYKZFJSWOI-CQSZACIVSA-N 0 0 382.424 0.892 10 0 GCAERN O=C(Nc1c2c(nn1-c1ccccc1)CCC2)C(=O)N1CC(n2ccnn2)C1 ZINC000441309319 1195621516 /nfs/dbraw/zinc/62/15/16/1195621516.db2.gz IUVTXIABDPBEIN-UHFFFAOYSA-N 0 0 377.408 0.975 10 0 GCAERN Cc1cc(C[C@H](C)NC(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)[nH]n1 ZINC000441417447 1195632814 /nfs/dbraw/zinc/63/28/14/1195632814.db2.gz FZENBNRPCFWVLH-JTQLQIEISA-N 0 0 394.443 0.643 10 0 GCAERN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)N[C@H]2CCCN(C)C2=O)C1 ZINC000441403698 1195632820 /nfs/dbraw/zinc/63/28/20/1195632820.db2.gz LKSFZRKAXWVBKR-KBPBESRZSA-N 0 0 382.461 0.050 10 0 GCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)C[C@H](C)O1 ZINC000328746373 1195663143 /nfs/dbraw/zinc/66/31/43/1195663143.db2.gz PTIAVXVFLAVNGT-OWCLPIDISA-N 0 0 397.497 0.610 10 0 GCAERN Cc1cc(CS(=O)(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)no1 ZINC000328812864 1195666130 /nfs/dbraw/zinc/66/61/30/1195666130.db2.gz BODVMPRFJKYBKF-GASCZTMLSA-N 0 0 398.529 0.935 10 0 GCAERN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC(C)(C)[C@H](C)O)cc2)CC1 ZINC000330823652 1195709403 /nfs/dbraw/zinc/70/94/03/1195709403.db2.gz POZQOFINOFFBKC-ZDUSSCGKSA-N 0 0 397.497 0.429 10 0 GCAERN CC(=O)N[C@](C)(C(=O)N1CC[C@@H](C)[C@@H](O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000331214664 1195724152 /nfs/dbraw/zinc/72/41/52/1195724152.db2.gz BVDFAORGNZZDFR-PUECVXPYSA-N 0 0 382.482 0.671 10 0 GCAERN COc1cc(OC)c(C[C@H](C)NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(OC)c1 ZINC000458960981 1195736933 /nfs/dbraw/zinc/73/69/33/1195736933.db2.gz HKQPDYJTLLQJPF-LEWSCRJBSA-N 0 0 391.424 0.557 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000507751973 1195738140 /nfs/dbraw/zinc/73/81/40/1195738140.db2.gz DFCUTHXWDUDBME-HOCLYGCPSA-N 0 0 388.468 0.929 10 0 GCAERN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188816041 1195738937 /nfs/dbraw/zinc/73/89/37/1195738937.db2.gz JPHAZKNGALKROD-ORAYPTAESA-N 0 0 390.459 0.879 10 0 GCAERN Cc1cnn(-c2ccc(NC(=O)C(=O)N3CCN(CCO)[C@@H](C)C3)cc2F)c1 ZINC000190029962 1195755635 /nfs/dbraw/zinc/75/56/35/1195755635.db2.gz DFFUSMCXBMIBHK-AWEZNQCLSA-N 0 0 389.431 0.783 10 0 GCAERN COC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)cc1 ZINC000441645022 1195806004 /nfs/dbraw/zinc/80/60/04/1195806004.db2.gz NRGIIMFTPWKTAY-UHFFFAOYSA-N 0 0 391.424 0.508 10 0 GCAERN CN(C)S(=O)(=O)[C@@H]1CN(c2nc3c(cnn3C)c(=O)[nH]2)C[C@H]1C(F)(F)F ZINC000520631044 1195807964 /nfs/dbraw/zinc/80/79/64/1195807964.db2.gz LSNSOAUUWATXRU-RKDXNWHRSA-N 0 0 394.379 0.327 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000441657054 1195810133 /nfs/dbraw/zinc/81/01/33/1195810133.db2.gz QHTHXTMAZFOVLX-UHFFFAOYSA-N 0 0 388.468 0.995 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CC1 ZINC000441666545 1195814760 /nfs/dbraw/zinc/81/47/60/1195814760.db2.gz UQHKYUGYQRZYOV-UHFFFAOYSA-N 0 0 377.445 0.182 10 0 GCAERN COCc1ccccc1NC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000441679891 1195815870 /nfs/dbraw/zinc/81/58/70/1195815870.db2.gz OSOAZFWEVLRPHT-UHFFFAOYSA-N 0 0 377.441 0.867 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000441677192 1195816551 /nfs/dbraw/zinc/81/65/51/1195816551.db2.gz DVSVLODRIUZVQA-UHFFFAOYSA-N 0 0 393.440 0.738 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000614647535 1195820975 /nfs/dbraw/zinc/82/09/75/1195820975.db2.gz CJCSXXXRYLNFHW-UHFFFAOYSA-N 0 0 383.470 0.352 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2c(C)oc(C)c2S(N)(=O)=O)CC1 ZINC000614651010 1195824201 /nfs/dbraw/zinc/82/42/01/1195824201.db2.gz HCVPLLCANBXJST-UHFFFAOYSA-N 0 0 387.458 0.253 10 0 GCAERN CCN1CCc2nc(NC(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)sc2C1 ZINC000054189598 1195839039 /nfs/dbraw/zinc/83/90/39/1195839039.db2.gz YJESCVUTLBIIHR-WAYWQWQTSA-N 0 0 375.454 0.570 10 0 GCAERN COC(=O)CN1CCN(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)CC1 ZINC000441761884 1195841183 /nfs/dbraw/zinc/84/11/83/1195841183.db2.gz HBGJDJPSXKMVKP-UHFFFAOYSA-N 0 0 387.444 0.656 10 0 GCAERN Cc1ncc(CS(=O)(=O)C[C@H](O)CN2C(=O)c3ccccc3C2=O)cn1 ZINC000507834882 1195861467 /nfs/dbraw/zinc/86/14/67/1195861467.db2.gz DZUQSWFDMPLRHS-CYBMUJFWSA-N 0 0 375.406 0.357 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000487403899 1195875519 /nfs/dbraw/zinc/87/55/19/1195875519.db2.gz SZIFJYZMTWNHJE-ZDEQEGDKSA-N 0 0 392.474 0.094 10 0 GCAERN CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C)C1 ZINC000508003939 1195883827 /nfs/dbraw/zinc/88/38/27/1195883827.db2.gz YRWXCRHZZZLKPH-AWEZNQCLSA-N 0 0 381.444 0.953 10 0 GCAERN COC(=O)CN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C)CC1 ZINC000508138021 1195902812 /nfs/dbraw/zinc/90/28/12/1195902812.db2.gz MHZVXFXLVMQKEM-UHFFFAOYSA-N 0 0 375.429 0.794 10 0 GCAERN CC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000508231241 1195908556 /nfs/dbraw/zinc/90/85/56/1195908556.db2.gz SWBCYMNEEKMAQD-HNNXBMFYSA-N 0 0 381.454 0.758 10 0 GCAERN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000441861703 1195924862 /nfs/dbraw/zinc/92/48/62/1195924862.db2.gz VHRQNXIJPYPVTR-AWEZNQCLSA-N 0 0 396.469 0.003 10 0 GCAERN NC(=O)COCCNC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000441883271 1195928283 /nfs/dbraw/zinc/92/82/83/1195928283.db2.gz LYAUDENDBJOQAD-UHFFFAOYSA-N 0 0 397.737 0.838 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000428235899 1195929308 /nfs/dbraw/zinc/92/93/08/1195929308.db2.gz IDBHSEVZKMCFOI-UHFFFAOYSA-N 0 0 398.423 0.217 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C ZINC000441946073 1195934680 /nfs/dbraw/zinc/93/46/80/1195934680.db2.gz MFNKXZIUCLEFIV-IBGZPJMESA-N 0 0 393.440 0.817 10 0 GCAERN CCNC(=O)N1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000442003862 1195940888 /nfs/dbraw/zinc/94/08/88/1195940888.db2.gz QBZMUBFQGPAOJR-UHFFFAOYSA-N 0 0 386.449 0.515 10 0 GCAERN CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N2CC(CCO)C2)CC1 ZINC000442029702 1195945285 /nfs/dbraw/zinc/94/52/85/1195945285.db2.gz LHBLOPGGZJZEFM-UHFFFAOYSA-N 0 0 388.468 0.130 10 0 GCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1Cl ZINC000442034248 1195945585 /nfs/dbraw/zinc/94/55/85/1195945585.db2.gz QVHDERYGUZBXKX-GFCCVEGCSA-N 0 0 378.772 0.244 10 0 GCAERN O=C(Nc1cccc(C(=O)NC2CC2)c1)C(=O)N1CCSC[C@@H]1CCO ZINC000442054610 1195947204 /nfs/dbraw/zinc/94/72/04/1195947204.db2.gz JHRKVYRRMMJZFP-HNNXBMFYSA-N 0 0 377.466 0.844 10 0 GCAERN Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)c1 ZINC000442061553 1195947646 /nfs/dbraw/zinc/94/76/46/1195947646.db2.gz SGRPKTSCAOYTRP-AWEZNQCLSA-N 0 0 376.442 0.236 10 0 GCAERN Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCSC[C@@H]2CCO)nn1 ZINC000442083814 1195950818 /nfs/dbraw/zinc/95/08/18/1195950818.db2.gz LYXPWWNCQGSUCC-LBPRGKRZSA-N 0 0 376.442 0.236 10 0 GCAERN Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)c1 ZINC000442092651 1195952017 /nfs/dbraw/zinc/95/20/17/1195952017.db2.gz BUCHZKHCSCIGHV-AWEZNQCLSA-N 0 0 375.454 0.747 10 0 GCAERN O=C(Nc1ccccc1Cn1cncn1)C(=O)N1CCSC[C@H]1CCO ZINC000442089828 1195954195 /nfs/dbraw/zinc/95/41/95/1195954195.db2.gz UHOOKPKVFXDGJO-CQSZACIVSA-N 0 0 375.454 0.591 10 0 GCAERN CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)c1 ZINC000442110781 1195954794 /nfs/dbraw/zinc/95/47/94/1195954794.db2.gz NBAWEUDZSGXDSS-AWEZNQCLSA-N 0 0 390.469 0.625 10 0 GCAERN O=C(Nc1ccn(Cc2ccncc2)n1)C(=O)N1CCSC[C@@H]1CCO ZINC000442105173 1195956734 /nfs/dbraw/zinc/95/67/34/1195956734.db2.gz CZELXIGAKORPKZ-AWEZNQCLSA-N 0 0 375.454 0.591 10 0 GCAERN NC(=O)C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCCO2)C1CCOCC1 ZINC000442144183 1195958398 /nfs/dbraw/zinc/95/83/98/1195958398.db2.gz XUDSTVULCWJZPH-HNNXBMFYSA-N 0 0 375.425 0.737 10 0 GCAERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000442186771 1195961006 /nfs/dbraw/zinc/96/10/06/1195961006.db2.gz UFOPCCBICDRUPB-UHFFFAOYSA-N 0 0 394.379 0.109 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000442201670 1195962023 /nfs/dbraw/zinc/96/20/23/1195962023.db2.gz PNNWXPJPKGIIKT-LLVKDONJSA-N 0 0 398.485 0.295 10 0 GCAERN COc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1OC(C)C ZINC000442258175 1195966900 /nfs/dbraw/zinc/96/69/00/1195966900.db2.gz AKVONUAATMEAPR-CQSZACIVSA-N 0 0 393.440 0.520 10 0 GCAERN Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442260881 1195967398 /nfs/dbraw/zinc/96/73/98/1195967398.db2.gz DLILDXJEASQGLM-OAHLLOKOSA-N 0 0 385.424 0.219 10 0 GCAERN Cc1ccnc(-c2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2)n1 ZINC000442262136 1195967613 /nfs/dbraw/zinc/96/76/13/1195967613.db2.gz PYCXSJBDHJTBQU-INIZCTEOSA-N 0 0 397.435 0.490 10 0 GCAERN CSc1c(F)cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1F ZINC000442264135 1195967615 /nfs/dbraw/zinc/96/76/15/1195967615.db2.gz HSIDPFZUNSFMCC-GFCCVEGCSA-N 0 0 387.408 0.725 10 0 GCAERN COCC[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)OC(C)(C)C)C(N)=O ZINC000442264579 1195967728 /nfs/dbraw/zinc/96/77/28/1195967728.db2.gz SFUFLPLBKVASJY-ZDUSSCGKSA-N 0 0 379.413 0.587 10 0 GCAERN O=C(Nc1cnc(-c2ccccc2)nc1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442269470 1195968933 /nfs/dbraw/zinc/96/89/33/1195968933.db2.gz GBSXJOXEUPGBOK-OAHLLOKOSA-N 0 0 383.408 0.182 10 0 GCAERN O=C(Nc1ccc(NC(=O)C2CC2)cc1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442268273 1195969125 /nfs/dbraw/zinc/96/91/25/1195969125.db2.gz IVVCHICVAAMKKP-HNNXBMFYSA-N 0 0 388.424 0.073 10 0 GCAERN COc1cc(OC)c(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1Cl ZINC000442271452 1195969384 /nfs/dbraw/zinc/96/93/84/1195969384.db2.gz INFAOKJHMCJCFX-LLVKDONJSA-N 0 0 399.831 0.395 10 0 GCAERN Cc1cccc(Cn2nccc2NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000442296468 1195970664 /nfs/dbraw/zinc/97/06/64/1195970664.db2.gz NDAMXJZPNKRQEQ-INIZCTEOSA-N 0 0 399.451 0.278 10 0 GCAERN O=C(Nc1cc2c(cc1Cl)OCCO2)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442280781 1195971169 /nfs/dbraw/zinc/97/11/69/1195971169.db2.gz ZRLWFEQVZUZQJN-NSHDSACASA-N 0 0 397.815 0.149 10 0 GCAERN CCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c(C)c1 ZINC000442285401 1195971957 /nfs/dbraw/zinc/97/19/57/1195971957.db2.gz QJVLEEBMMPDDSD-MRXNPFEDSA-N 0 0 377.441 0.822 10 0 GCAERN CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000442288856 1195972477 /nfs/dbraw/zinc/97/24/77/1195972477.db2.gz XXGUOELKPAEPNZ-OAHLLOKOSA-N 0 0 390.440 0.319 10 0 GCAERN O=C(Nc1cccc(Oc2ccccn2)c1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442290758 1195972826 /nfs/dbraw/zinc/97/28/26/1195972826.db2.gz BAWKSGDHOIVHGT-MRXNPFEDSA-N 0 0 398.419 0.912 10 0 GCAERN CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442292315 1195972830 /nfs/dbraw/zinc/97/28/30/1195972830.db2.gz FQKYQKQVSWQVST-ZIAGYGMSSA-N 0 0 379.461 0.528 10 0 GCAERN CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442292313 1195973017 /nfs/dbraw/zinc/97/30/17/1195973017.db2.gz FQKYQKQVSWQVST-UONOGXRCSA-N 0 0 379.461 0.528 10 0 GCAERN O=C(Nc1ccccc1OCC(F)F)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442295340 1195973384 /nfs/dbraw/zinc/97/33/84/1195973384.db2.gz LYKIAPAEYDAQFT-LBPRGKRZSA-N 0 0 385.367 0.369 10 0 GCAERN O=C(Nc1ccccc1CC(F)(F)F)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442293477 1195973401 /nfs/dbraw/zinc/97/34/01/1195973401.db2.gz IIEPYZXACZERJG-CYBMUJFWSA-N 0 0 387.358 0.829 10 0 GCAERN O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442293510 1195973438 /nfs/dbraw/zinc/97/34/38/1195973438.db2.gz IKLJDUJUVWHLQY-ZDUSSCGKSA-N 0 0 387.358 0.829 10 0 GCAERN O=C(Nc1cccc(OC(F)(F)F)c1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442294312 1195973476 /nfs/dbraw/zinc/97/34/76/1195973476.db2.gz POZVWGKLQDUKEM-LBPRGKRZSA-N 0 0 389.330 0.623 10 0 GCAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)ccc1OC(C)C ZINC000442302098 1195975095 /nfs/dbraw/zinc/97/50/95/1195975095.db2.gz VGCSYKMGAMEPFE-HNNXBMFYSA-N 0 0 377.441 0.820 10 0 GCAERN COc1cccc(CCNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000442302334 1195975168 /nfs/dbraw/zinc/97/51/68/1195975168.db2.gz JHRQAUZWECTUMU-UHFFFAOYSA-N 0 0 383.408 0.578 10 0 GCAERN COc1cccc(CCNC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)n1 ZINC000442327382 1195976286 /nfs/dbraw/zinc/97/62/86/1195976286.db2.gz SFJPFTACZKLJOT-UHFFFAOYSA-N 0 0 377.422 0.791 10 0 GCAERN COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)C2)nn1 ZINC000442496016 1195989239 /nfs/dbraw/zinc/98/92/39/1195989239.db2.gz RGSLLYRPGONYRS-UHFFFAOYSA-N 0 0 399.411 0.082 10 0 GCAERN CN(C)C(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000443021674 1196015547 /nfs/dbraw/zinc/01/55/47/1196015547.db2.gz HHAIUQBPHUEKKH-INIZCTEOSA-N 0 0 395.481 0.447 10 0 GCAERN Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N(C)CCCO)cc1C ZINC000443001955 1196015820 /nfs/dbraw/zinc/01/58/20/1196015820.db2.gz SFSXNRDYSKPVKB-OAHLLOKOSA-N 0 0 385.486 0.057 10 0 GCAERN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000521929998 1196026746 /nfs/dbraw/zinc/02/67/46/1196026746.db2.gz HQKSZEUMSXXSJE-KUHUBIRLSA-N 0 0 392.456 0.661 10 0 GCAERN CN(CCCO)C(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000443266097 1196032527 /nfs/dbraw/zinc/03/25/27/1196032527.db2.gz RMDPHTHBGNTRLJ-UHFFFAOYSA-N 0 0 388.468 0.753 10 0 GCAERN CN(CCCO)C(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000443355474 1196042195 /nfs/dbraw/zinc/04/21/95/1196042195.db2.gz VYWSZXAMJNGBMZ-UHFFFAOYSA-N 0 0 383.470 0.641 10 0 GCAERN CCNS(=O)(=O)c1cccc(CNC(=O)N2CCN(C(C)=O)C[C@@H]2C)c1 ZINC000459194774 1196053799 /nfs/dbraw/zinc/05/37/99/1196053799.db2.gz NFHNLBSMACAOCT-ZDUSSCGKSA-N 0 0 382.486 0.747 10 0 GCAERN CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC000522205231 1196060148 /nfs/dbraw/zinc/06/01/48/1196060148.db2.gz KHSJVGVKSBYOBF-HOTGVXAUSA-N 0 0 395.481 0.958 10 0 GCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(Cn3ccnc3)cc2)C1 ZINC000443493347 1196061470 /nfs/dbraw/zinc/06/14/70/1196061470.db2.gz RIHISTXGYIFOKS-INIZCTEOSA-N 0 0 377.470 0.894 10 0 GCAERN Cc1nc(-c2ccc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)s2)cs1 ZINC000550514755 1196071275 /nfs/dbraw/zinc/07/12/75/1196071275.db2.gz RTOCKWOUNLTGRW-LBPRGKRZSA-N 0 0 394.478 0.509 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cnnn3C)CC2)cc1 ZINC000665356317 1196079635 /nfs/dbraw/zinc/07/96/35/1196079635.db2.gz MKBHUXASNDPMIK-UHFFFAOYSA-N 0 0 391.453 0.093 10 0 GCAERN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000051382420 1196081066 /nfs/dbraw/zinc/08/10/66/1196081066.db2.gz ZDJUPURVRDERCF-QFBILLFUSA-N 0 0 394.491 0.463 10 0 GCAERN O=C(NCc1ccc(OC2CCCC2)nc1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000550551440 1196083340 /nfs/dbraw/zinc/08/33/40/1196083340.db2.gz YBHKXADABUIKLI-INIZCTEOSA-N 0 0 388.468 0.562 10 0 GCAERN CN(C)C(=O)C1(CNC(=O)N2CCN(Cc3nccn3C)CC2)CCCC1 ZINC000113631701 1196087996 /nfs/dbraw/zinc/08/79/96/1196087996.db2.gz AKNCNARWHDZYDY-UHFFFAOYSA-N 0 0 376.505 0.896 10 0 GCAERN COc1ccc(CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cn1 ZINC000550569587 1196089423 /nfs/dbraw/zinc/08/94/23/1196089423.db2.gz PDVRKOWOSADCHD-MRXNPFEDSA-N 0 0 382.420 0.796 10 0 GCAERN COCCN(C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C1CC1 ZINC000474168829 1196096402 /nfs/dbraw/zinc/09/64/02/1196096402.db2.gz LBMIQIXYTVSGIF-UHFFFAOYSA-N 0 0 375.429 0.628 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC(C(=O)NCCCOC)CC2)C1 ZINC000474203903 1196098881 /nfs/dbraw/zinc/09/88/81/1196098881.db2.gz LMRFPSNTEZKWKM-HNNXBMFYSA-N 0 0 383.493 0.365 10 0 GCAERN COCCn1nc(C(=O)NCCc2csc(N3CCCC3)n2)ccc1=O ZINC000114852875 1196112416 /nfs/dbraw/zinc/11/24/16/1196112416.db2.gz LJVVOQYZLPLFII-UHFFFAOYSA-N 0 0 377.470 0.919 10 0 GCAERN CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CCCO3)C1 ZINC000522449945 1196125396 /nfs/dbraw/zinc/12/53/96/1196125396.db2.gz WEDOWFVLJRCBNV-CYBMUJFWSA-N 0 0 395.481 0.738 10 0 GCAERN CCCN1C(=O)N=NC1S(=O)(=O)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000116405547 1196134623 /nfs/dbraw/zinc/13/46/23/1196134623.db2.gz MKEBFTTTXKZHOS-UHFFFAOYSA-N 0 0 377.426 0.804 10 0 GCAERN CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000522458877 1196136101 /nfs/dbraw/zinc/13/61/01/1196136101.db2.gz FSJMLTMMZAESKU-UHFFFAOYSA-N 0 0 383.470 0.784 10 0 GCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000329113430 1196165746 /nfs/dbraw/zinc/16/57/46/1196165746.db2.gz RVLLHHQVRKICBP-FUHWJXTLSA-N 0 0 387.436 0.650 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C[C@H](C)C(=O)OC)CC1 ZINC000474868372 1196183019 /nfs/dbraw/zinc/18/30/19/1196183019.db2.gz LPVFRHVJWNHVCG-ZDUSSCGKSA-N 0 0 383.470 0.443 10 0 GCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)CC2 ZINC000474895982 1196189479 /nfs/dbraw/zinc/18/94/79/1196189479.db2.gz BUPPAVVMBOXYIW-OLZOCXBDSA-N 0 0 383.518 0.670 10 0 GCAERN CN(CC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)S(=O)(=O)c1cccnc1 ZINC000329424817 1196194301 /nfs/dbraw/zinc/19/43/01/1196194301.db2.gz GCSSDBNASMEDOM-HNNXBMFYSA-N 0 0 394.497 0.563 10 0 GCAERN Cc1cc(N2CCN3C(=O)CC[C@@H]3C2)nc([C@@H](C)N2CCN3C(=O)CC[C@@H]3C2)n1 ZINC000329448663 1196196746 /nfs/dbraw/zinc/19/67/46/1196196746.db2.gz LNSKZFDFVRVVFO-BRWVUGGUSA-N 0 0 398.511 0.964 10 0 GCAERN CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)nn1 ZINC000474911478 1196197247 /nfs/dbraw/zinc/19/72/47/1196197247.db2.gz JRESMZOELAOHMF-ZDUSSCGKSA-N 0 0 377.445 0.403 10 0 GCAERN O=C(CSCC(=O)N1CCC[C@@H](c2nncn2C2CC2)C1)N1CCOCC1 ZINC000329450200 1196197512 /nfs/dbraw/zinc/19/75/12/1196197512.db2.gz LKTVXEHENWCONV-CQSZACIVSA-N 0 0 393.513 0.911 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccc(F)cc2)CCN1CCO ZINC000192076907 1196212423 /nfs/dbraw/zinc/21/24/23/1196212423.db2.gz NXWBSEGNYAGONC-CQSZACIVSA-N 0 0 389.431 0.534 10 0 GCAERN C[C@H]1CN(S(=O)(=O)NCCc2nnc(-c3ccccc3)n2C)C[C@H](C)O1 ZINC000329638966 1196213872 /nfs/dbraw/zinc/21/38/72/1196213872.db2.gz WIGWGIHSHFATPG-KBPBESRZSA-N 0 0 379.486 0.968 10 0 GCAERN CN(CC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000329670227 1196219110 /nfs/dbraw/zinc/21/91/10/1196219110.db2.gz MSUQJXIXXOHUQE-CVEARBPZSA-N 0 0 379.482 0.369 10 0 GCAERN COCCOC[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000508447719 1196220827 /nfs/dbraw/zinc/22/08/27/1196220827.db2.gz RYIWDRAGDJMXOT-CQSZACIVSA-N 0 0 397.497 0.824 10 0 GCAERN CC(C)(C)c1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)no1 ZINC000329681587 1196221425 /nfs/dbraw/zinc/22/14/25/1196221425.db2.gz WYTHUNYHGROGSQ-UHFFFAOYSA-N 0 0 386.474 0.307 10 0 GCAERN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000329693466 1196222438 /nfs/dbraw/zinc/22/24/38/1196222438.db2.gz AXONIQWPHBUAIQ-CQSZACIVSA-N 0 0 393.488 0.702 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCc3ccccc3C2)c1 ZINC000522559904 1196222652 /nfs/dbraw/zinc/22/26/52/1196222652.db2.gz CWBLLVCDHWLLLV-UHFFFAOYSA-N 0 0 387.461 0.909 10 0 GCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)C1 ZINC000329720577 1196226797 /nfs/dbraw/zinc/22/67/97/1196226797.db2.gz DPMSJXKJXWEKOS-FPCVCCKLSA-N 0 0 393.513 0.894 10 0 GCAERN O=C(c1ccc2c(n1)CCCC2)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000329885650 1196236300 /nfs/dbraw/zinc/23/63/00/1196236300.db2.gz UYDMBSJYBIJJCN-UHFFFAOYSA-N 0 0 376.442 0.225 10 0 GCAERN CC(C)(C)c1nnsc1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000329914030 1196238586 /nfs/dbraw/zinc/23/85/86/1196238586.db2.gz CFZWSDRXIAXPMQ-UHFFFAOYSA-N 0 0 381.502 0.452 10 0 GCAERN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@H](C3CC3)C2)[C@H](C)O)cc1 ZINC000330185743 1196258351 /nfs/dbraw/zinc/25/83/51/1196258351.db2.gz ROMAQKUUTIOIDQ-JQFCIGGWSA-N 0 0 382.482 0.660 10 0 GCAERN CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)CCN1CCCS1(=O)=O ZINC000281129484 1196279158 /nfs/dbraw/zinc/27/91/58/1196279158.db2.gz GQYBXWAWBZPJEE-KBPBESRZSA-N 0 0 385.465 0.277 10 0 GCAERN O=C([C@H]1CC[C@@H](C(=O)N2CCO[C@@H](C3CC3)C2)O1)N1CCO[C@H](C2CC2)C1 ZINC000330323137 1196284754 /nfs/dbraw/zinc/28/47/54/1196284754.db2.gz SUKOOKWOILBERC-FZDBZEDMSA-N 0 0 378.469 0.809 10 0 GCAERN C[C@@H]1CN(C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CCC1=O ZINC000281588020 1196313027 /nfs/dbraw/zinc/31/30/27/1196313027.db2.gz MYWJKFVZZWUHMD-DYVFJYSZSA-N 0 0 384.436 0.974 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000522804986 1196334533 /nfs/dbraw/zinc/33/45/33/1196334533.db2.gz CWZZPOJPYWHYLM-INIZCTEOSA-N 0 0 388.468 0.789 10 0 GCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000029661446 1196346408 /nfs/dbraw/zinc/34/64/08/1196346408.db2.gz IGYFICSVGXJXHI-AWEZNQCLSA-N 0 0 390.459 0.709 10 0 GCAERN Cn1cnc2c1c(=O)n(CC(=O)N(C[C@@H]1CCCO1)c1ccncc1)c(=O)n2C ZINC000522865584 1196355955 /nfs/dbraw/zinc/35/59/55/1196355955.db2.gz JKMYCHIBOVZMRB-AWEZNQCLSA-N 0 0 398.423 0.041 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)CCNS(=O)(=O)c3cccs3)CC2)[nH]1 ZINC000522919994 1196365832 /nfs/dbraw/zinc/36/58/32/1196365832.db2.gz VHDRABMWFUNPCE-UHFFFAOYSA-N 0 0 398.514 0.187 10 0 GCAERN O=C(NCCOc1ccc2c(c1)OCO2)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000475105424 1196380495 /nfs/dbraw/zinc/38/04/95/1196380495.db2.gz CLNZLVXHSJVFNO-HNNXBMFYSA-N 0 0 391.424 0.873 10 0 GCAERN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@@H]3CC3(C)C)cn2)C[C@@H](C)O1 ZINC000475156180 1196384363 /nfs/dbraw/zinc/38/43/63/1196384363.db2.gz PNRNWTITFZINFI-YRGRVCCFSA-N 0 0 377.445 0.372 10 0 GCAERN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@@H]3CC3(C)C)cn2)C[C@H](C)O1 ZINC000475156179 1196384399 /nfs/dbraw/zinc/38/43/99/1196384399.db2.gz PNRNWTITFZINFI-MBNYWOFBSA-N 0 0 377.445 0.372 10 0 GCAERN CN(C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@@H]1CCNC1=O ZINC000760104201 1196384714 /nfs/dbraw/zinc/38/47/14/1196384714.db2.gz RNVVQKGWHJICEH-CQSZACIVSA-N 0 0 380.408 0.801 10 0 GCAERN CN(C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@H]1CCNC1=O ZINC000760104199 1196385182 /nfs/dbraw/zinc/38/51/82/1196385182.db2.gz RNVVQKGWHJICEH-AWEZNQCLSA-N 0 0 380.408 0.801 10 0 GCAERN CC(=O)N1CCN(CCNC(=O)C(=O)Nc2cc(-n3cccn3)ccc2C)CC1 ZINC000475392492 1196409612 /nfs/dbraw/zinc/40/96/12/1196409612.db2.gz VERUMNGEKRCIKT-UHFFFAOYSA-N 0 0 398.467 0.400 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@]2(CO)CC(C)C)c1 ZINC000475410824 1196411215 /nfs/dbraw/zinc/41/12/15/1196411215.db2.gz LPBDJAOBIYYSOE-SFHVURJKSA-N 0 0 397.497 0.933 10 0 GCAERN CCN(CCNC(=O)c1cccc2ncnn21)C(=O)c1cccc2ncnn21 ZINC000444362160 1196420948 /nfs/dbraw/zinc/42/09/48/1196420948.db2.gz JEBBSZMHIFITMC-UHFFFAOYSA-N 0 0 378.396 0.664 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000523040358 1196423654 /nfs/dbraw/zinc/42/36/54/1196423654.db2.gz LYZOYSFPUOJVOD-RYUDHWBXSA-N 0 0 383.470 0.888 10 0 GCAERN O=C(Cn1cnnn1)N1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000121320432 1196434025 /nfs/dbraw/zinc/43/40/25/1196434025.db2.gz SOYRXQATFYLTIM-SFHVURJKSA-N 0 0 395.423 0.910 10 0 GCAERN CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000523057353 1196452678 /nfs/dbraw/zinc/45/26/78/1196452678.db2.gz DXJWQAMPYKPUAX-KDOFPFPSSA-N 0 0 398.481 0.855 10 0 GCAERN O=C(CN1CCN(Cc2ccccc2)CC1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000023290740 1196466895 /nfs/dbraw/zinc/46/68/95/1196466895.db2.gz SEFHBLMWUJSIGB-IBGZPJMESA-N 0 0 391.537 0.982 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CCc2cnccn2)CC1 ZINC000475587406 1196473344 /nfs/dbraw/zinc/47/33/44/1196473344.db2.gz NMHWKUSBMMBJKB-UHFFFAOYSA-N 0 0 389.481 0.666 10 0 GCAERN Cc1noc(CN2CCN(C(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)CC2)n1 ZINC000523156358 1196497342 /nfs/dbraw/zinc/49/73/42/1196497342.db2.gz RBYQEYHQBAGLAN-UHFFFAOYSA-N 0 0 394.435 0.992 10 0 GCAERN CN(CC1(O)CCOCC1)C(=O)[C@@H](CCC(N)=O)NC(=O)CCC1CCCC1 ZINC000444523358 1196500412 /nfs/dbraw/zinc/50/04/12/1196500412.db2.gz FAZWMMTVYZPLLO-MRXNPFEDSA-N 0 0 397.516 0.707 10 0 GCAERN Cc1ccc(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1S(N)(=O)=O ZINC000475607988 1196503026 /nfs/dbraw/zinc/50/30/26/1196503026.db2.gz XWCOGPTWPDHUPN-AWEZNQCLSA-N 0 0 396.469 0.544 10 0 GCAERN CCO[C@@H]1C[C@](NC(=O)CCC[C@@]2(C)NC(=O)NC2=O)(C(=O)OC)C1(C)C ZINC000444562726 1196503774 /nfs/dbraw/zinc/50/37/74/1196503774.db2.gz NXIFPTZIXNTBDZ-AFBMGJRZSA-N 0 0 383.445 0.618 10 0 GCAERN CN(C)c1nccc(N2CCN(Cc3nnnn3CC3CCOCC3)CC2)n1 ZINC000444651643 1196512056 /nfs/dbraw/zinc/51/20/56/1196512056.db2.gz QFVGWFDWCCLVFQ-UHFFFAOYSA-N 0 0 387.492 0.278 10 0 GCAERN CCO[C@H]1C[C@](NCC(=O)NCC(C)(C)N2CCOCC2)(C(=O)OC)C1(C)C ZINC000444785166 1196522792 /nfs/dbraw/zinc/52/27/92/1196522792.db2.gz PWNVUEDLXVIZIX-YWZLYKJASA-N 0 0 399.532 0.550 10 0 GCAERN Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CC2)n1 ZINC000523462212 1196526458 /nfs/dbraw/zinc/52/64/58/1196526458.db2.gz RCXVMFLQQSPXSJ-UHFFFAOYSA-N 0 0 399.455 0.656 10 0 GCAERN CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(Cc3nc(C)no3)CC2)c1 ZINC000523462618 1196526773 /nfs/dbraw/zinc/52/67/73/1196526773.db2.gz FPEHKNBPCJQHQR-UHFFFAOYSA-N 0 0 386.412 0.021 10 0 GCAERN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCN(c3cccnn3)CC2)cc1 ZINC000523571827 1196533919 /nfs/dbraw/zinc/53/39/19/1196533919.db2.gz CVFWDTGLJVCLDQ-UHFFFAOYSA-N 0 0 397.482 0.025 10 0 GCAERN CCc1nc(C)c(NC(=O)C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)s1 ZINC000445115449 1196550136 /nfs/dbraw/zinc/55/01/36/1196550136.db2.gz GJSUAUZCWSRSJU-JTQLQIEISA-N 0 0 391.457 0.507 10 0 GCAERN CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000445138661 1196551730 /nfs/dbraw/zinc/55/17/30/1196551730.db2.gz UCHWFKILGPRROW-JSGCOSHPSA-N 0 0 384.454 0.465 10 0 GCAERN CCOC(=O)CCS(=O)(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000523793421 1196561527 /nfs/dbraw/zinc/56/15/27/1196561527.db2.gz CSEINGZWGQQRPC-UHFFFAOYSA-N 0 0 382.482 0.965 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000487518252 1196603914 /nfs/dbraw/zinc/60/39/14/1196603914.db2.gz UXJFMYBOCZGTDD-DTWKUNHWSA-N 0 0 387.795 0.990 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)COc3cccc(N4CCCC4=O)c3)CC2)[nH]1 ZINC000524569668 1196606793 /nfs/dbraw/zinc/60/67/93/1196606793.db2.gz UACXGSQHWFROPM-UHFFFAOYSA-N 0 0 398.467 0.963 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)[C@H](C)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)[nH]1 ZINC000524572398 1196606869 /nfs/dbraw/zinc/60/68/69/1196606869.db2.gz XIAOZSSRQBCNAD-AEGPPILISA-N 0 0 388.472 0.321 10 0 GCAERN COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3nc(C)no3)CC2)c1C ZINC000524586620 1196606980 /nfs/dbraw/zinc/60/69/80/1196606980.db2.gz WTNGYDJZOCITGP-UHFFFAOYSA-N 0 0 394.453 0.980 10 0 GCAERN COc1cc(C)c(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1OC ZINC000446182623 1196620282 /nfs/dbraw/zinc/62/02/82/1196620282.db2.gz MYPDHXUUNZONCS-UHFFFAOYSA-N 0 0 388.424 1.320 10 0 GCAERN CCC(=O)N[C@H](CCSC)C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000524979303 1196641319 /nfs/dbraw/zinc/64/13/19/1196641319.db2.gz FYOOBYPVRLXUBN-CQSZACIVSA-N 0 0 394.545 0.839 10 0 GCAERN CN(C)c1nccc(N2CCN(C(=O)CNC(=O)c3ccc(O)cc3)CC2)n1 ZINC000524977497 1196642083 /nfs/dbraw/zinc/64/20/83/1196642083.db2.gz LGQJONMWFKBETL-UHFFFAOYSA-N 0 0 384.440 0.327 10 0 GCAERN CCNC(=O)CN1CCN(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)CC1 ZINC000446475927 1196643784 /nfs/dbraw/zinc/64/37/84/1196643784.db2.gz FXHDUMLWPKLKOL-ZDUSSCGKSA-N 0 0 376.383 0.487 10 0 GCAERN COCCNC(=O)Cn1cc(NC(=O)C(=O)c2cnn(C(C)(C)C)c2)cn1 ZINC000525090109 1196648392 /nfs/dbraw/zinc/64/83/92/1196648392.db2.gz XMMTVCOPZOTKFM-UHFFFAOYSA-N 0 0 376.417 0.419 10 0 GCAERN Cc1cc(C)nc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 ZINC000446545780 1196649555 /nfs/dbraw/zinc/64/95/55/1196649555.db2.gz NISXHTPATOMFIB-UHFFFAOYSA-N 0 0 387.484 0.697 10 0 GCAERN CN(C)c1nccc(N2CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)n1 ZINC000525169734 1196653553 /nfs/dbraw/zinc/65/35/53/1196653553.db2.gz XECJMPRKQAASDO-UHFFFAOYSA-N 0 0 393.455 0.545 10 0 GCAERN CCNC(=O)NC1(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)CCCC1 ZINC000525289796 1196665068 /nfs/dbraw/zinc/66/50/68/1196665068.db2.gz ZUQLZBFXIIBPJP-UHFFFAOYSA-N 0 0 389.504 0.823 10 0 GCAERN COC(=O)Cc1ccc(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)cc1 ZINC000525320448 1196672235 /nfs/dbraw/zinc/67/22/35/1196672235.db2.gz ZTGKGYBRGJMYCH-UHFFFAOYSA-N 0 0 397.435 0.870 10 0 GCAERN CNC(=O)c1cccc(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)c1C ZINC000525322490 1196672497 /nfs/dbraw/zinc/67/24/97/1196672497.db2.gz NRFUHABGHSEUDD-UHFFFAOYSA-N 0 0 396.451 0.822 10 0 GCAERN O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000446816877 1196673299 /nfs/dbraw/zinc/67/32/99/1196673299.db2.gz FKTDBHSCWRCUML-HZPDHXFCSA-N 0 0 375.473 0.802 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccnn2Cc2ccccn2)C1 ZINC000446824450 1196675306 /nfs/dbraw/zinc/67/53/06/1196675306.db2.gz UNCRCUGVTJIBNU-CQSZACIVSA-N 0 0 385.428 0.185 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ncnc2c1cnn2-c1ncccn1 ZINC000447128583 1196694955 /nfs/dbraw/zinc/69/49/55/1196694955.db2.gz OPMJPBSMKMDKJO-QWRGUYRKSA-N 0 0 384.400 0.474 10 0 GCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000525606911 1196695878 /nfs/dbraw/zinc/69/58/78/1196695878.db2.gz CHASOXXUKAMBIQ-CQSZACIVSA-N 0 0 385.424 0.499 10 0 GCAERN COc1ccc(F)c(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000447248310 1196700978 /nfs/dbraw/zinc/70/09/78/1196700978.db2.gz JZETWWMBUMBHBC-UHFFFAOYSA-N 0 0 395.412 0.779 10 0 GCAERN CC(C)n1cc(S(=O)(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cn1 ZINC000525689300 1196702426 /nfs/dbraw/zinc/70/24/26/1196702426.db2.gz NOTHTHDXARDIIX-UHFFFAOYSA-N 0 0 383.518 0.687 10 0 GCAERN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000525808370 1196711946 /nfs/dbraw/zinc/71/19/46/1196711946.db2.gz FRCVWPIWOHLFIP-GOSISDBHSA-N 0 0 394.497 0.585 10 0 GCAERN O=C(NCCc1ccccc1O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000525877064 1196719563 /nfs/dbraw/zinc/71/95/63/1196719563.db2.gz ZWAMTOPCGPNHRO-UHFFFAOYSA-N 0 0 396.403 0.741 10 0 GCAERN CN(CC1CC1)C(=O)CS(=O)(=O)c1nnc(N2CCOCC2)n1C1CC1 ZINC000447495083 1196726071 /nfs/dbraw/zinc/72/60/71/1196726071.db2.gz FZMPGJJZNMGTPA-UHFFFAOYSA-N 0 0 383.474 0.092 10 0 GCAERN CS(=O)(=O)N1CCN(CC(=O)NCC2CCN(c3ccccc3)CC2)CC1 ZINC000525943724 1196728368 /nfs/dbraw/zinc/72/83/68/1196728368.db2.gz IBVAVBKLCSXLTG-UHFFFAOYSA-N 0 0 394.541 0.596 10 0 GCAERN CCOCCOCCN(C)C(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000526068920 1196737326 /nfs/dbraw/zinc/73/73/26/1196737326.db2.gz PLYJIJBFCMVRCZ-UHFFFAOYSA-N 0 0 379.457 0.973 10 0 GCAERN COc1cc(CCC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc(OC)c1OC ZINC000447752043 1196746492 /nfs/dbraw/zinc/74/64/92/1196746492.db2.gz DPIYLAHNCHVBBS-IBGZPJMESA-N 0 0 391.424 0.846 10 0 GCAERN O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N1CCSC[C@@H]1CCO ZINC000526730778 1196747021 /nfs/dbraw/zinc/74/70/21/1196747021.db2.gz XQSPKFZMPKKTRD-AWEZNQCLSA-N 0 0 375.454 0.591 10 0 GCAERN Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)NCc1nnc2ccccn21 ZINC000526802013 1196749139 /nfs/dbraw/zinc/74/91/39/1196749139.db2.gz PYVSAGXTXJLNIA-KBPBESRZSA-N 0 0 386.435 0.875 10 0 GCAERN C[C@H](CNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)N1CCCCC1=O ZINC000527007195 1196754837 /nfs/dbraw/zinc/75/48/37/1196754837.db2.gz FAGWGERCXGIWDH-CYBMUJFWSA-N 0 0 395.481 0.512 10 0 GCAERN Cc1ccc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1N1C(=O)CNC1=O ZINC000527033002 1196756355 /nfs/dbraw/zinc/75/63/55/1196756355.db2.gz NDUGSFYHFPNWLJ-IBGZPJMESA-N 0 0 384.392 0.603 10 0 GCAERN O=C(Nc1cccc(N2CCOCC2)c1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000527126709 1196765330 /nfs/dbraw/zinc/76/53/30/1196765330.db2.gz LZUHZUORLDBTTK-IAGOWNOFSA-N 0 0 386.452 0.731 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000448000796 1196765360 /nfs/dbraw/zinc/76/53/60/1196765360.db2.gz ORNDHLOZLNPSPF-MCIONIFRSA-N 0 0 385.461 0.422 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccnn2CCC(C)C)CC1 ZINC000527145388 1196767558 /nfs/dbraw/zinc/76/75/58/1196767558.db2.gz UEEPFAVXGLQTAJ-UHFFFAOYSA-N 0 0 393.488 0.964 10 0 GCAERN COc1cc(OC)cc(C(=O)NCC(=O)NC[C@@H](C)N2CCCCC2=O)c1 ZINC000527257075 1196774995 /nfs/dbraw/zinc/77/49/95/1196774995.db2.gz FPEFUCDLJGCTIU-CYBMUJFWSA-N 0 0 377.441 0.951 10 0 GCAERN NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)C1 ZINC000527299238 1196778320 /nfs/dbraw/zinc/77/83/20/1196778320.db2.gz UJJDTKFVLNPTGE-HUUCEWRRSA-N 0 0 391.493 0.881 10 0 GCAERN CO[C@H]1CCOc2c(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cccc21 ZINC000448276675 1196786205 /nfs/dbraw/zinc/78/62/05/1196786205.db2.gz AUVTYIKAWOYZDV-GJZGRUSLSA-N 0 0 391.424 0.195 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cc(C)nn2C(C)(C)C)CC1 ZINC000527424206 1196786849 /nfs/dbraw/zinc/78/68/49/1196786849.db2.gz ATTNBNSSRXNDCT-UHFFFAOYSA-N 0 0 393.488 0.981 10 0 GCAERN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000527440070 1196787479 /nfs/dbraw/zinc/78/74/79/1196787479.db2.gz YGVMVIMSIVJUCF-CYBMUJFWSA-N 0 0 377.466 0.861 10 0 GCAERN CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)C(=O)N[C@@H](C)CCO)CC1 ZINC000448297747 1196787995 /nfs/dbraw/zinc/78/79/95/1196787995.db2.gz OAZPGHZXTSATBU-ZDUSSCGKSA-N 0 0 394.447 0.710 10 0 GCAERN COc1cccc(-c2cc(NC(=O)C(=O)N3CC(=O)N(C4CC4)C3)n(C)n2)c1 ZINC000448426534 1196801302 /nfs/dbraw/zinc/80/13/02/1196801302.db2.gz OZOPPYGVJNDZRD-UHFFFAOYSA-N 0 0 383.408 0.825 10 0 GCAERN CNC(=O)Cn1cc(NC(=O)C(=O)N(C)Cc2cc(OC)cc(OC)c2)cn1 ZINC000448494366 1196808192 /nfs/dbraw/zinc/80/81/92/1196808192.db2.gz FATOWYMXPCBUDE-UHFFFAOYSA-N 0 0 389.412 0.243 10 0 GCAERN CCC(=O)N[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000448518971 1196810111 /nfs/dbraw/zinc/81/01/11/1196810111.db2.gz BEGMMIVXYIPNOM-ZDUSSCGKSA-N 0 0 383.474 0.060 10 0 GCAERN Cc1nn(C)cc1CC(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000448617495 1196820900 /nfs/dbraw/zinc/82/09/00/1196820900.db2.gz WNQPLHBFNZVIOP-HZPDHXFCSA-N 0 0 375.517 0.920 10 0 GCAERN CC(=O)c1ccc(NC[C@]2(CO)COCC3(CCC3)N2C)c(S(N)(=O)=O)c1 ZINC000528134651 1196834304 /nfs/dbraw/zinc/83/43/04/1196834304.db2.gz SEKJDIPDCHPYBJ-SFHVURJKSA-N 0 0 397.497 0.564 10 0 GCAERN COCCCNC(=O)[C@@H](C)N1CCN(Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC000449021516 1196848100 /nfs/dbraw/zinc/84/81/00/1196848100.db2.gz CXOFRKUSZJTSJR-MRXNPFEDSA-N 0 0 397.541 0.749 10 0 GCAERN CC(=O)N1CCc2cc(S(=O)(=O)NCCN3C(=O)CCC3=O)c(Cl)cc21 ZINC000528331790 1196850354 /nfs/dbraw/zinc/85/03/54/1196850354.db2.gz SNRZNEFCODQVMO-UHFFFAOYSA-N 0 0 399.856 0.676 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](O)C3CCC3)CC2)cc1 ZINC000449129137 1196855669 /nfs/dbraw/zinc/85/56/69/1196855669.db2.gz ZFLPEJSQUSJXKE-KRWDZBQOSA-N 0 0 380.466 0.883 10 0 GCAERN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCC(=O)N(C)C3=O)c(Cl)cc21 ZINC000528425629 1196859469 /nfs/dbraw/zinc/85/94/69/1196859469.db2.gz WRVYIPFBHOIHJM-LBPRGKRZSA-N 0 0 399.856 0.675 10 0 GCAERN COC(=O)Cn1cc(CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)nn1 ZINC000449229498 1196863272 /nfs/dbraw/zinc/86/32/72/1196863272.db2.gz BMALQAUPDFYVNL-UHFFFAOYSA-N 0 0 391.453 0.028 10 0 GCAERN CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H]4CC[C@@H](C3)S4(=O)=O)ccc21 ZINC000528547537 1196867405 /nfs/dbraw/zinc/86/74/05/1196867405.db2.gz BOSSZEKFFGLABR-ZBFHGGJFSA-N 0 0 398.506 0.936 10 0 GCAERN CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)Cn2cc(-c3ccccc3)nn2)C1=O ZINC000370521334 1196890876 /nfs/dbraw/zinc/89/08/76/1196890876.db2.gz FRARRJIMUHFPGE-IFXJQAMLSA-N 0 0 382.424 0.782 10 0 GCAERN Cn1cccc(NC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c1=O ZINC000120543761 1196921072 /nfs/dbraw/zinc/92/10/72/1196921072.db2.gz PMAGQSCFYUYICR-LLVKDONJSA-N 0 0 376.363 0.997 10 0 GCAERN COCCn1cc(N2C[C@H](C(=O)N3CCSC[C@@H]3CCO)CC2=O)cn1 ZINC000450232812 1196921623 /nfs/dbraw/zinc/92/16/23/1196921623.db2.gz XUWJZNJWMDIOGW-KGLIPLIRSA-N 0 0 382.486 0.209 10 0 GCAERN COc1cc(C)c(NC(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1F ZINC000372234887 1196927530 /nfs/dbraw/zinc/92/75/30/1196927530.db2.gz AFZZQTBDMVREHQ-AWEZNQCLSA-N 0 0 393.415 0.977 10 0 GCAERN COC(=O)C1CCN(S(=O)(=O)N2CCCN(c3cccnn3)CC2)CC1 ZINC000610086024 1196933559 /nfs/dbraw/zinc/93/35/59/1196933559.db2.gz HENIYIXNTNNGAB-UHFFFAOYSA-N 0 0 383.474 0.119 10 0 GCAERN COCCn1cc(N2C[C@H](C(=O)Nc3ncn(C(C)(C)C)n3)CC2=O)cn1 ZINC000450566051 1196939715 /nfs/dbraw/zinc/93/97/15/1196939715.db2.gz QZQORJWDXAPOGT-GFCCVEGCSA-N 0 0 375.433 0.868 10 0 GCAERN CCOC(=O)[C@@H]1CN(c2ncccc2S(=O)(=O)NC(C)C)CC12COC2 ZINC000450568482 1196940166 /nfs/dbraw/zinc/94/01/66/1196940166.db2.gz NCVFDQNFQZGOSQ-ZDUSSCGKSA-N 0 0 383.470 0.784 10 0 GCAERN CCOC(=O)[C@H]1CN(c2cc(N3CCCC[C@H]3CO)ncn2)CC12COC2 ZINC000450572826 1196940757 /nfs/dbraw/zinc/94/07/57/1196940757.db2.gz VLSCKNDTEKIUFX-LSDHHAIUSA-N 0 0 376.457 0.844 10 0 GCAERN OC[C@H]1O[C@@H](n2cnc3c2ncnc3NCC2CCCCCC2)[C@H](O)[C@@H]1O ZINC000450730043 1196949702 /nfs/dbraw/zinc/94/97/02/1196949702.db2.gz RRKJBSVDFXKBIO-SCFUHWHPSA-N 0 0 377.445 0.820 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2nnn(-c3cnn(C)c3)c2C)CC1 ZINC000450783141 1196954907 /nfs/dbraw/zinc/95/49/07/1196954907.db2.gz AHVZPMMXAVKLSP-UHFFFAOYSA-N 0 0 375.433 0.019 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000530068908 1196959979 /nfs/dbraw/zinc/95/99/79/1196959979.db2.gz NMGZETKCSLFHTP-OKXMYEFYSA-N 0 0 398.506 0.680 10 0 GCAERN CCOC(=O)CN(C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O)C1CCC1 ZINC000450920709 1196960886 /nfs/dbraw/zinc/96/08/86/1196960886.db2.gz ADJYBVJCWNWMAF-UHFFFAOYSA-N 0 0 379.438 0.857 10 0 GCAERN C/C=C\C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)OCC ZINC000450914013 1196960909 /nfs/dbraw/zinc/96/09/09/1196960909.db2.gz NBXLUHSJFDSEIW-OZXVRYSVSA-N 0 0 381.473 0.181 10 0 GCAERN CC(C)NS(=O)(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000450922076 1196960949 /nfs/dbraw/zinc/96/09/49/1196960949.db2.gz LSSDWPLSFMZHCS-UHFFFAOYSA-N 0 0 384.458 0.214 10 0 GCAERN C/C=C\C[C@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)OCC ZINC000450914015 1196961094 /nfs/dbraw/zinc/96/10/94/1196961094.db2.gz NBXLUHSJFDSEIW-WLYXZUNZSA-N 0 0 381.473 0.181 10 0 GCAERN CCOC(=O)[C@@H]1CN(CC(=O)NC(=O)NCc2cccs2)CC12COC2 ZINC000451140822 1196973164 /nfs/dbraw/zinc/97/31/64/1196973164.db2.gz USWXQKSQDDGETR-ZDUSSCGKSA-N 0 0 381.454 0.585 10 0 GCAERN CCOC(=O)[C@@H]1CN(CC(=O)NC[C@@H]2COc3ccccc3O2)CC12COC2 ZINC000451125063 1196973428 /nfs/dbraw/zinc/97/34/28/1196973428.db2.gz KFNBINYXJJUBEJ-CABCVRRESA-N 0 0 390.436 0.454 10 0 GCAERN CCOC(=O)[C@H]1CN(CC(=O)N2CCCC[C@@H]2C(=O)OCC)CC12COC2 ZINC000451124175 1196973641 /nfs/dbraw/zinc/97/36/41/1196973641.db2.gz HBENCOWEBJAFGV-HUUCEWRRSA-N 0 0 382.457 0.442 10 0 GCAERN CCOC(=O)[C@@H]1CN(CC(=O)N(C)c2ccccc2C(=O)OC)CC12COC2 ZINC000451131935 1196974122 /nfs/dbraw/zinc/97/41/22/1196974122.db2.gz HVTDYHFRLSWWRU-HNNXBMFYSA-N 0 0 390.436 0.948 10 0 GCAERN CC(=O)N1CCC[C@H](CNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)C1 ZINC000373645486 1196974143 /nfs/dbraw/zinc/97/41/43/1196974143.db2.gz SASMJEHYQIKISR-OAHLLOKOSA-N 0 0 379.482 0.689 10 0 GCAERN CCOC(=O)[C@H]1CN(CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC12COC2 ZINC000451144056 1196975198 /nfs/dbraw/zinc/97/51/98/1196975198.db2.gz XNAOLDBEPMIKBL-MRXNPFEDSA-N 0 0 389.452 0.838 10 0 GCAERN CCOC(=O)[C@@H]1CN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC12COC2 ZINC000451137072 1196975311 /nfs/dbraw/zinc/97/53/11/1196975311.db2.gz OJWLJXFANRSEMB-UWVGGRQHSA-N 0 0 381.351 0.275 10 0 GCAERN CCOC(=O)c1cnn(C)c1NC(=O)CN1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451145308 1196975428 /nfs/dbraw/zinc/97/54/28/1196975428.db2.gz YRYLZKJQCCCXIP-CYBMUJFWSA-N 0 0 394.428 0.047 10 0 GCAERN Cn1c2ncn(CCN3CCO[C@@H](c4cccc(O)c4)C3)c2c(=O)n(C)c1=O ZINC000121628359 1196977359 /nfs/dbraw/zinc/97/73/59/1196977359.db2.gz ZCNAUZREOQTNDL-OAHLLOKOSA-N 0 0 385.424 0.213 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000451247013 1196983035 /nfs/dbraw/zinc/98/30/35/1196983035.db2.gz RRQSRKXNODFGAD-IJEWVQPXSA-N 0 0 389.452 0.864 10 0 GCAERN C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ncnn1C ZINC000530441145 1196989045 /nfs/dbraw/zinc/98/90/45/1196989045.db2.gz YJILKEKWDMEVCF-GFCCVEGCSA-N 0 0 399.498 0.639 10 0 GCAERN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)C[C@@H](C)O1 ZINC000508614076 1196991144 /nfs/dbraw/zinc/99/11/44/1196991144.db2.gz KHRYRDMPWIBKFJ-ZIAGYGMSSA-N 0 0 383.470 0.504 10 0 GCAERN O=C(COc1ccc(S(=O)(=O)N2CCN(CCCO)CC2)cc1)NC1CC1 ZINC000451377182 1196991207 /nfs/dbraw/zinc/99/12/07/1196991207.db2.gz PCHNPUVKFHPHEC-UHFFFAOYSA-N 0 0 397.497 0.033 10 0 GCAERN CO[C@H]1CC[C@H](NS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000451454288 1196993608 /nfs/dbraw/zinc/99/36/08/1196993608.db2.gz POISYMYIADCRQO-KBPBESRZSA-N 0 0 396.465 0.786 10 0 GCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)CC12COC2 ZINC000451620520 1197001431 /nfs/dbraw/zinc/00/14/31/1197001431.db2.gz ORFFJIULRXIRSX-OAHLLOKOSA-N 0 0 397.449 0.982 10 0 GCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)CC12COC2 ZINC000451618843 1197003188 /nfs/dbraw/zinc/00/31/88/1197003188.db2.gz GEKYWFPDUYBSGV-MELADBBJSA-N 0 0 389.470 0.560 10 0 GCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)OC)n(C)c2)CC12COC2 ZINC000451619172 1197003196 /nfs/dbraw/zinc/00/31/96/1197003196.db2.gz HIXZTRPRMCDMSS-GFCCVEGCSA-N 0 0 386.426 0.012 10 0 GCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)CC12COC2 ZINC000451617148 1197003287 /nfs/dbraw/zinc/00/32/87/1197003287.db2.gz ACVVSHOFJPPMPE-HNNXBMFYSA-N 0 0 396.465 0.589 10 0 GCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OC)n(C)c2)CC12COC2 ZINC000451619173 1197003310 /nfs/dbraw/zinc/00/33/10/1197003310.db2.gz HIXZTRPRMCDMSS-LBPRGKRZSA-N 0 0 386.426 0.012 10 0 GCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OC)ccc2C)CC12COC2 ZINC000451618429 1197003411 /nfs/dbraw/zinc/00/34/11/1197003411.db2.gz FENOEQPGEMOXBV-AWEZNQCLSA-N 0 0 397.449 0.982 10 0 GCAERN COC[C@H](C)NC(=O)NC(=O)CN1CCCc2c(OCC(N)=O)cccc21 ZINC000451669030 1197005757 /nfs/dbraw/zinc/00/57/57/1197005757.db2.gz GAWBMISBACMTEO-LBPRGKRZSA-N 0 0 378.429 0.164 10 0 GCAERN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCCc2nnc3ccccn32)C1 ZINC000530717273 1197011706 /nfs/dbraw/zinc/01/17/06/1197011706.db2.gz KHUOEDNAWYAFER-AWEZNQCLSA-N 0 0 395.485 0.771 10 0 GCAERN CNS(=O)(=O)c1ccc(N2CCN(c3ccnc(N(C)C)n3)CC2)nc1 ZINC000530770856 1197015229 /nfs/dbraw/zinc/01/52/29/1197015229.db2.gz BLRTYLHKUOIBBU-UHFFFAOYSA-N 0 0 377.474 0.172 10 0 GCAERN COc1c(F)cc(CC(=O)N2CCN(C)C(=O)C2(C)C)cc1S(N)(=O)=O ZINC000530798700 1197016620 /nfs/dbraw/zinc/01/66/20/1197016620.db2.gz BVEUCCUQRMHFSU-UHFFFAOYSA-N 0 0 387.433 0.103 10 0 GCAERN C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)C1 ZINC000530826292 1197020647 /nfs/dbraw/zinc/02/06/47/1197020647.db2.gz MOQKDPQOOIWUCY-GJZGRUSLSA-N 0 0 382.534 0.887 10 0 GCAERN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(CC(F)(F)F)C[C@@H](C)C2)CC1 ZINC000451873487 1197020811 /nfs/dbraw/zinc/02/08/11/1197020811.db2.gz OWWPIDJKVJTEPA-ZIAGYGMSSA-N 0 0 378.439 0.882 10 0 GCAERN Cn1cc(N2CCN(C(=O)c3cc(C4CC4)nc4c3c(=O)[nH]n4C)CC2=O)cn1 ZINC000530936411 1197028686 /nfs/dbraw/zinc/02/86/86/1197028686.db2.gz BUWDAAIKJQZHAV-UHFFFAOYSA-N 0 0 395.423 0.774 10 0 GCAERN NC(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)cn1 ZINC000531011176 1197038443 /nfs/dbraw/zinc/03/84/43/1197038443.db2.gz JVKJZEYIXMPQKO-UHFFFAOYSA-N 0 0 383.408 0.272 10 0 GCAERN CCOC(=O)C1(O)CCN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1 ZINC000610115351 1197039807 /nfs/dbraw/zinc/03/98/07/1197039807.db2.gz JQPGQUNPHTZHMQ-UHFFFAOYSA-N 0 0 395.456 0.500 10 0 GCAERN CC(=O)N1CCN(c2ccccc2CNC(=O)[C@@H](O)C2CCOCC2)CC1 ZINC000531056203 1197043365 /nfs/dbraw/zinc/04/33/65/1197043365.db2.gz BJTSMXSKKLSHGD-IBGZPJMESA-N 0 0 375.469 0.759 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC12COC2 ZINC000452219878 1197046438 /nfs/dbraw/zinc/04/64/38/1197046438.db2.gz JSDRPWDRTQAUOS-GJZGRUSLSA-N 0 0 393.461 0.986 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC12COC2 ZINC000452219503 1197046479 /nfs/dbraw/zinc/04/64/79/1197046479.db2.gz FWLMJBHXLSYEQR-MRXNPFEDSA-N 0 0 393.484 0.952 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC12COC2 ZINC000452219880 1197046528 /nfs/dbraw/zinc/04/65/28/1197046528.db2.gz JSDRPWDRTQAUOS-LSDHHAIUSA-N 0 0 393.461 0.986 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2)CC12COC2 ZINC000452219204 1197046663 /nfs/dbraw/zinc/04/66/63/1197046663.db2.gz FMAZWPHUKUOOHB-CQSZACIVSA-N 0 0 382.438 0.003 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2csc(N3CCCC3=O)n2)CC12COC2 ZINC000452232660 1197047001 /nfs/dbraw/zinc/04/70/01/1197047001.db2.gz XIQSWCFLLJRDDT-CYBMUJFWSA-N 0 0 393.465 0.851 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)CN2c3ccccc3O[C@H](C)C2=O)CC12COC2 ZINC000452232699 1197047039 /nfs/dbraw/zinc/04/70/39/1197047039.db2.gz XQGIKGXSDMMXID-ZIAGYGMSSA-N 0 0 388.420 0.839 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC12COC2 ZINC000452231742 1197047066 /nfs/dbraw/zinc/04/70/66/1197047066.db2.gz UXBZDCMKPVVQFO-ZDUSSCGKSA-N 0 0 390.392 0.183 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)CN2C(=O)NC(CC)(CC)C2=O)CC12COC2 ZINC000452231830 1197047113 /nfs/dbraw/zinc/04/71/13/1197047113.db2.gz VDOBSNQDXCHOCN-LBPRGKRZSA-N 0 0 381.429 0.135 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)CNC(=O)c2cc(F)cc(F)c2)CC12COC2 ZINC000452251562 1197047471 /nfs/dbraw/zinc/04/74/71/1197047471.db2.gz CQMQIORMPHMXHO-CQSZACIVSA-N 0 0 382.363 0.733 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccccc2)CC12COC2 ZINC000452228397 1197047666 /nfs/dbraw/zinc/04/76/66/1197047666.db2.gz NWJILEZRIBAWTD-OAHLLOKOSA-N 0 0 396.465 0.345 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)c2cnc3sc(C)cn3c2=O)CC12COC2 ZINC000452266349 1197049265 /nfs/dbraw/zinc/04/92/65/1197049265.db2.gz SDPPYPHZSZHDGM-GFCCVEGCSA-N 0 0 377.422 0.716 10 0 GCAERN COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)c2cn3cccnc3n2)c1 ZINC000531226067 1197058481 /nfs/dbraw/zinc/05/84/81/1197058481.db2.gz NVTSTMXIJCZNDL-UHFFFAOYSA-N 0 0 394.395 0.994 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)Cc3cccc(NS(C)(=O)=O)c3)CC2)[nH]1 ZINC000531359082 1197069160 /nfs/dbraw/zinc/06/91/60/1197069160.db2.gz DCVCREMBCQTMIQ-UHFFFAOYSA-N 0 0 392.485 0.372 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)[C@H](C)Sc2nnnn2C2CC2)CC12COC2 ZINC000452610389 1197070385 /nfs/dbraw/zinc/07/03/85/1197070385.db2.gz FFZABIVPZSQQJP-CMPLNLGQSA-N 0 0 381.458 0.527 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)CCOc2ccc(C(N)=O)cc2)CC12COC2 ZINC000452610988 1197070677 /nfs/dbraw/zinc/07/06/77/1197070677.db2.gz GOPGAMSSDSHNQL-HNNXBMFYSA-N 0 0 376.409 0.593 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)c2cc3c(ncnc3N(C)C)n2C)CC12COC2 ZINC000452610526 1197070839 /nfs/dbraw/zinc/07/08/39/1197070839.db2.gz FLQLALJAOCOOKV-CYBMUJFWSA-N 0 0 387.440 0.686 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)CC12COC2 ZINC000452617706 1197073248 /nfs/dbraw/zinc/07/32/48/1197073248.db2.gz UYCCIBDEWVWIHY-HNNXBMFYSA-N 0 0 385.424 0.687 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)n2nnnc2C)CC12COC2 ZINC000452619628 1197073490 /nfs/dbraw/zinc/07/34/90/1197073490.db2.gz YBXHFJXRBYXQHE-IAGOWNOFSA-N 0 0 399.451 0.803 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)[C@H](Cc2ccccc2)n2nnnc2C)CC12COC2 ZINC000452619631 1197073508 /nfs/dbraw/zinc/07/35/08/1197073508.db2.gz YBXHFJXRBYXQHE-SJORKVTESA-N 0 0 399.451 0.803 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(OC)ccc2OC)CC12COC2 ZINC000452618180 1197073578 /nfs/dbraw/zinc/07/35/78/1197073578.db2.gz VDNUGKBHHRVXJX-CYBMUJFWSA-N 0 0 392.408 0.680 10 0 GCAERN CN(Cc1nnnn1C)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000531554794 1197082476 /nfs/dbraw/zinc/08/24/76/1197082476.db2.gz BRWNKQHZJYKFAB-OAHLLOKOSA-N 0 0 377.424 0.564 10 0 GCAERN O=C(NCCCO[C@@H]1CCOC1)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000531544775 1197083828 /nfs/dbraw/zinc/08/38/28/1197083828.db2.gz JEOHINKAIWTWAW-QGZVFWFLSA-N 0 0 377.441 0.774 10 0 GCAERN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN(C)Cc3nnnn3C)CC2)C1 ZINC000531562441 1197084598 /nfs/dbraw/zinc/08/45/98/1197084598.db2.gz CQDJFMQYKYPQOS-CQSZACIVSA-N 0 0 377.493 0.139 10 0 GCAERN CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3nnnn3C)s2)CC1 ZINC000531558016 1197084720 /nfs/dbraw/zinc/08/47/20/1197084720.db2.gz KUDFOAKTSGQXGI-UHFFFAOYSA-N 0 0 398.514 0.964 10 0 GCAERN C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN(C)Cc3nnnn3C)CC2)C1 ZINC000531562440 1197084790 /nfs/dbraw/zinc/08/47/90/1197084790.db2.gz CQDJFMQYKYPQOS-AWEZNQCLSA-N 0 0 377.493 0.139 10 0 GCAERN C[C@H](Sc1ncccc1C(=O)N(C)Cc1nnnn1C)C(=O)N1CCCC1 ZINC000531558539 1197084898 /nfs/dbraw/zinc/08/48/98/1197084898.db2.gz MYLDZRZVRAULMX-LBPRGKRZSA-N 0 0 389.485 0.980 10 0 GCAERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC000531619589 1197086986 /nfs/dbraw/zinc/08/69/86/1197086986.db2.gz XKARWBGXCTUJGF-GFCCVEGCSA-N 0 0 393.444 0.277 10 0 GCAERN CN(Cc1nnnn1C)C(=O)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000531641723 1197089471 /nfs/dbraw/zinc/08/94/71/1197089471.db2.gz BGKDPRSTXLAKQS-UHFFFAOYSA-N 0 0 388.819 0.705 10 0 GCAERN CC(=O)N1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)[C@H](C)C1 ZINC000531661225 1197091002 /nfs/dbraw/zinc/09/10/02/1197091002.db2.gz ZXUAMHRJUCZGJB-YJYMSZOUSA-N 0 0 398.463 0.541 10 0 GCAERN O=C(Nc1cccc(N2CCOCC2)c1)C(=O)N1CCOC2(CCOCC2)C1 ZINC000531763355 1197096229 /nfs/dbraw/zinc/09/62/29/1197096229.db2.gz GBAYAQYBFUMQDS-UHFFFAOYSA-N 0 0 389.452 0.870 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)NCc2cccc(NC(=O)COC)c2)C1 ZINC000531860048 1197101212 /nfs/dbraw/zinc/10/12/12/1197101212.db2.gz KKLMHKJUBRDERE-HNNXBMFYSA-N 0 0 377.445 0.875 10 0 GCAERN CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@H](CC(=O)OC(C)(C)C)C2)nn1 ZINC000531870423 1197101685 /nfs/dbraw/zinc/10/16/85/1197101685.db2.gz ACCTYZNSRQOARD-CYBMUJFWSA-N 0 0 379.461 0.950 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)cn1C ZINC000531911371 1197103638 /nfs/dbraw/zinc/10/36/38/1197103638.db2.gz BAAGPXNSAHKNNM-CABCVRRESA-N 0 0 384.502 0.306 10 0 GCAERN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCCF)cc2)CC1 ZINC000532019879 1197108237 /nfs/dbraw/zinc/10/82/37/1197108237.db2.gz HFJZBDXNCFQRNR-UHFFFAOYSA-N 0 0 386.449 0.037 10 0 GCAERN CCOCCS(=O)(=O)NCC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000532067228 1197109545 /nfs/dbraw/zinc/10/95/45/1197109545.db2.gz MXEYTADQHQNJDR-UHFFFAOYSA-N 0 0 389.518 0.193 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cnc3c(cnn3C(C)C)c2)C1 ZINC000532128858 1197116110 /nfs/dbraw/zinc/11/61/10/1197116110.db2.gz KCMBGWZOYPZCKB-ZDUSSCGKSA-N 0 0 387.444 0.871 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)cc(C(N)=O)c1 ZINC000453703126 1197123712 /nfs/dbraw/zinc/12/37/12/1197123712.db2.gz VFCQJZYEHMXPQW-UHFFFAOYSA-N 0 0 385.399 0.915 10 0 GCAERN O=C(Nc1nc2n(n1)CCCC2)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000453735102 1197126837 /nfs/dbraw/zinc/12/68/37/1197126837.db2.gz ZXYSVSHGBGLYEH-OAHLLOKOSA-N 0 0 385.424 0.859 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)cnc1OCC ZINC000453738203 1197127471 /nfs/dbraw/zinc/12/74/71/1197127471.db2.gz MPCRLOALPQOFHR-NEPJUHHUSA-N 0 0 394.428 0.300 10 0 GCAERN Cc1c(NC(=O)C(=O)N2CC[C@@H](CO)[C@H]2C)cccc1S(=O)(=O)N(C)C ZINC000453742635 1197127755 /nfs/dbraw/zinc/12/77/55/1197127755.db2.gz QNTCYHQQCYSBAU-OLZOCXBDSA-N 0 0 383.470 0.413 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(OC)cc2F)CC12COC2 ZINC000453790944 1197132708 /nfs/dbraw/zinc/13/27/08/1197132708.db2.gz BYPXOIVWPLUAHH-SNVBAGLBSA-N 0 0 398.362 0.950 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCCO3)CC12COC2 ZINC000453794188 1197133161 /nfs/dbraw/zinc/13/31/61/1197133161.db2.gz FBBJZSWJNKGUTO-OAHLLOKOSA-N 0 0 388.420 0.988 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc3c2OCO3)CC12COC2 ZINC000453796781 1197133669 /nfs/dbraw/zinc/13/36/69/1197133669.db2.gz IKMDOGBJKWRTCX-LLVKDONJSA-N 0 0 376.365 0.392 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc3c[nH]nc3cc2C)CC12COC2 ZINC000453799578 1197134172 /nfs/dbraw/zinc/13/41/72/1197134172.db2.gz JXZGPFAQLQNNHO-ZDUSSCGKSA-N 0 0 386.408 0.848 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2c(C)noc2C2CC2)CC12COC2 ZINC000453801447 1197137481 /nfs/dbraw/zinc/13/74/81/1197137481.db2.gz MHOSEODMZLQVKS-GFCCVEGCSA-N 0 0 377.397 0.837 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(OC)c(F)c2)CC12COC2 ZINC000453802319 1197137873 /nfs/dbraw/zinc/13/78/73/1197137873.db2.gz NDKFOEIRKDGUGY-NSHDSACASA-N 0 0 398.362 0.950 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3cccn3)c2)CC12COC2 ZINC000453806066 1197138354 /nfs/dbraw/zinc/13/83/54/1197138354.db2.gz SKTFBVGUVHSKKS-MRXNPFEDSA-N 0 0 398.419 0.849 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)OC)CC12COC2 ZINC000453804794 1197138431 /nfs/dbraw/zinc/13/84/31/1197138431.db2.gz QLKWUYLOPAEWSV-ZDUSSCGKSA-N 0 0 390.392 0.450 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cn(C)nc2C(C)C)CC12COC2 ZINC000453805335 1197138557 /nfs/dbraw/zinc/13/85/57/1197138557.db2.gz QZQCSAHRPWMRLC-LBPRGKRZSA-N 0 0 378.429 0.520 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc([S@@](C)=O)cc2)CC12COC2 ZINC000453803424 1197138573 /nfs/dbraw/zinc/13/85/73/1197138573.db2.gz OIVQQDVAQCUEAI-LOKFHWFJSA-N 0 0 394.449 0.401 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2OC)CC12COC2 ZINC000453805309 1197138607 /nfs/dbraw/zinc/13/86/07/1197138607.db2.gz QYLDHSDQKHZTLU-LLVKDONJSA-N 0 0 398.362 0.950 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(OC)ccc2F)CC12COC2 ZINC000453806633 1197138795 /nfs/dbraw/zinc/13/87/95/1197138795.db2.gz SVPLDDFXQRAEMV-GFCCVEGCSA-N 0 0 380.372 0.811 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3nccnc3c2)CC12COC2 ZINC000453806948 1197138902 /nfs/dbraw/zinc/13/89/02/1197138902.db2.gz UARFERZFMNFITA-ZDUSSCGKSA-N 0 0 384.392 0.606 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2)CC12COC2 ZINC000453808056 1197139100 /nfs/dbraw/zinc/13/91/00/1197139100.db2.gz VTBXWHLKVQXIHG-AWEZNQCLSA-N 0 0 390.392 0.450 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccccc2N(C)C)CC12COC2 ZINC000453807537 1197139606 /nfs/dbraw/zinc/13/96/06/1197139606.db2.gz VFHJJMMTPJNRAL-CYBMUJFWSA-N 0 0 375.425 0.729 10 0 GCAERN CN(Cc1nnnn1C)C(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000532322908 1197144055 /nfs/dbraw/zinc/14/40/55/1197144055.db2.gz WZHGJMRQMOHBKP-SUMWQHHRSA-N 0 0 390.444 0.898 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)C1 ZINC000532374704 1197157143 /nfs/dbraw/zinc/15/71/43/1197157143.db2.gz RYMNTNUWNCUEJU-SWLSCSKDSA-N 0 0 394.497 0.931 10 0 GCAERN CS(=O)(=O)NCCNC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000171829027 1197158730 /nfs/dbraw/zinc/15/87/30/1197158730.db2.gz MQTJRNHUPDGMLI-LBPRGKRZSA-N 0 0 390.456 0.778 10 0 GCAERN CCCCn1c2nc(CN3C[C@H]4CCC[C@@H](C3)C4O)n(C)c2c(=O)[nH]c1=O ZINC000172043204 1197159880 /nfs/dbraw/zinc/15/98/80/1197159880.db2.gz MEHHRURXAWXFQQ-OCZCAGDBSA-N 0 0 375.473 0.816 10 0 GCAERN Cn1cc(N2CCC[C@@H](NC(=O)c3cccc(CS(N)(=O)=O)c3)C2)cn1 ZINC000172662846 1197172727 /nfs/dbraw/zinc/17/27/27/1197172727.db2.gz BWTIJUYYEGHOHQ-OAHLLOKOSA-N 0 0 377.470 0.607 10 0 GCAERN Cn1cc(N2CCC[C@H](NC(=O)c3cccc(CS(N)(=O)=O)c3)C2)cn1 ZINC000172662844 1197172762 /nfs/dbraw/zinc/17/27/62/1197172762.db2.gz BWTIJUYYEGHOHQ-HNNXBMFYSA-N 0 0 377.470 0.607 10 0 GCAERN C[C@@H]1C[C@@H](NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C(=O)N1c1ccccc1 ZINC000172859089 1197174321 /nfs/dbraw/zinc/17/43/21/1197174321.db2.gz QIIFGTCWSBJTOB-DEHGMPOZSA-N 0 0 382.420 0.407 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC000453921307 1197174605 /nfs/dbraw/zinc/17/46/05/1197174605.db2.gz DTPOVQFSBFNYRL-JKSUJKDBSA-N 0 0 399.513 0.939 10 0 GCAERN C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CCS(=O)(=O)C1 ZINC000364328175 1197174954 /nfs/dbraw/zinc/17/49/54/1197174954.db2.gz BRJPTQCWIIFRBJ-UKRRQHHQSA-N 0 0 380.466 0.890 10 0 GCAERN CC[C@@H](C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)N1CCCC1=O ZINC000173203647 1197176208 /nfs/dbraw/zinc/17/62/08/1197176208.db2.gz JFVTXDVAXLHKLN-KRWDZBQOSA-N 0 0 378.517 0.790 10 0 GCAERN CN(CCNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000173373105 1197176790 /nfs/dbraw/zinc/17/67/90/1197176790.db2.gz BVVPYDJFBQUIQM-MRXNPFEDSA-N 0 0 377.470 0.436 10 0 GCAERN Cc1cc(N2CC[C@@H](N3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)n(C)n1 ZINC000173485852 1197177379 /nfs/dbraw/zinc/17/73/79/1197177379.db2.gz NBYVUMSLHAHNHW-JKSUJKDBSA-N 0 0 375.473 0.405 10 0 GCAERN CCCS(=O)(=O)NC1CCN([C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173532714 1197177978 /nfs/dbraw/zinc/17/79/78/1197177978.db2.gz VRPUVCPABHTVME-HNNXBMFYSA-N 0 0 383.518 0.628 10 0 GCAERN Cn1cc(N2CC[C@@H](NC(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)C2=O)cn1 ZINC000175045395 1197183158 /nfs/dbraw/zinc/18/31/58/1197183158.db2.gz CKFBKYBKVNICNY-CZUORRHYSA-N 0 0 386.460 0.227 10 0 GCAERN Cn1cc(N2CC[C@@H](NC(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)C2=O)cn1 ZINC000175045371 1197183163 /nfs/dbraw/zinc/18/31/63/1197183163.db2.gz CKFBKYBKVNICNY-XJKSGUPXSA-N 0 0 386.460 0.227 10 0 GCAERN Cn1cc(/C=C/C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c(=O)n(C)c1=O ZINC000175539716 1197185184 /nfs/dbraw/zinc/18/51/84/1197185184.db2.gz IUIBYXBIUJLREK-CMDGGOBGSA-N 0 0 392.419 0.398 10 0 GCAERN O=C(Nc1cccn(CC(F)(F)F)c1=O)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000176630623 1197188012 /nfs/dbraw/zinc/18/80/12/1197188012.db2.gz VDUJVEKBRDRHJT-QYJAPNMZSA-N 0 0 387.358 0.969 10 0 GCAERN COc1ccc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc1-n1cnnn1 ZINC000181082410 1197203370 /nfs/dbraw/zinc/20/33/70/1197203370.db2.gz HTKVESGDCDGMMP-CQSZACIVSA-N 0 0 382.428 0.803 10 0 GCAERN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181337182 1197204271 /nfs/dbraw/zinc/20/42/71/1197204271.db2.gz FLCUEIZKHABJFR-AWEZNQCLSA-N 0 0 380.408 0.728 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)cn1C ZINC000181389254 1197204364 /nfs/dbraw/zinc/20/43/64/1197204364.db2.gz LUCUAJSGQNFYAH-ZDUSSCGKSA-N 0 0 377.470 0.679 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)NC[C@@]2(O)CCc3ccccc32)cn1C ZINC000181388682 1197204381 /nfs/dbraw/zinc/20/43/81/1197204381.db2.gz ORCJTUIJXHXONL-SFHVURJKSA-N 0 0 377.466 0.839 10 0 GCAERN O=C(CCNS(=O)(=O)c1ccc(F)cc1)NCCc1nnc2n1CCCC2 ZINC000182097690 1197205885 /nfs/dbraw/zinc/20/58/85/1197205885.db2.gz CEFNNKVVYBIOPE-UHFFFAOYSA-N 0 0 395.460 0.781 10 0 GCAERN Cn1cc(S(=O)(=O)N2CCC[C@H](c3nncn3C3CC3)C2)cc1C(N)=O ZINC000182356018 1197207154 /nfs/dbraw/zinc/20/71/54/1197207154.db2.gz QXHFJDJOEFKBGV-NSHDSACASA-N 0 0 378.458 0.619 10 0 GCAERN Cn1cc(N2CCN(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)cn1 ZINC000182553790 1197207569 /nfs/dbraw/zinc/20/75/69/1197207569.db2.gz LXOOWCOPYSCBKN-KRWDZBQOSA-N 0 0 383.456 0.842 10 0 GCAERN NC(=O)[C@H]1CC(C(=O)NCCc2nnc3n2CCCC3)=NN1c1ccc(F)cc1 ZINC000184117824 1197210336 /nfs/dbraw/zinc/21/03/36/1197210336.db2.gz UQVAXXYCDDORMN-OAHLLOKOSA-N 0 0 399.430 0.532 10 0 GCAERN CC1(Cn2cc(C(=O)N3CCN(Cc4nccn4C(F)F)CC3)nn2)COC1 ZINC000184590891 1197211706 /nfs/dbraw/zinc/21/17/06/1197211706.db2.gz NIOWWJPATVFGMB-UHFFFAOYSA-N 0 0 395.414 0.864 10 0 GCAERN COC[C@@H](C)n1ccc(=NC(=O)C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)[nH]1 ZINC000375559377 1197213084 /nfs/dbraw/zinc/21/30/84/1197213084.db2.gz VKIPXDUCISZMCU-CHWSQXEVSA-N 0 0 389.460 0.769 10 0 GCAERN C[C@@H](NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cn(-c2ccccc2)nn1 ZINC000185457285 1197214220 /nfs/dbraw/zinc/21/42/20/1197214220.db2.gz WQSYTFOBRGGUNW-LLVKDONJSA-N 0 0 380.412 0.392 10 0 GCAERN O=C1CNCCN1[C@@H]1CCCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000186122604 1197226805 /nfs/dbraw/zinc/22/68/05/1197226805.db2.gz PCNLJKIELKJWHZ-GFCCVEGCSA-N 0 0 397.888 0.573 10 0 GCAERN C[C@@H](NC(=O)CNC(=O)CN1CCCC[C@@]1(C)C(N)=O)c1ccc(F)cc1 ZINC000185973434 1197226857 /nfs/dbraw/zinc/22/68/57/1197226857.db2.gz FBUFLPFWLFTZCE-YJYMSZOUSA-N 0 0 378.448 0.849 10 0 GCAERN CS(=O)(=O)N1CCC(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 ZINC000186207491 1197227150 /nfs/dbraw/zinc/22/71/50/1197227150.db2.gz KRIUKYRZKRXALY-UHFFFAOYSA-N 0 0 381.502 0.607 10 0 GCAERN CCS(=O)(=O)N1CCC(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 ZINC000186241496 1197227272 /nfs/dbraw/zinc/22/72/72/1197227272.db2.gz XHGNABVEZHFSOI-UHFFFAOYSA-N 0 0 395.529 0.997 10 0 GCAERN CCn1cc(NC(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)ccc1=O ZINC000189418721 1197237057 /nfs/dbraw/zinc/23/70/57/1197237057.db2.gz UFQPCSYKNATMLS-UHFFFAOYSA-N 0 0 384.440 0.756 10 0 GCAERN Nc1c(C(=O)CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c(=O)[nH]c(=O)n1C1CC1 ZINC000189662405 1197237942 /nfs/dbraw/zinc/23/79/42/1197237942.db2.gz XVVLPOGMGCOVET-UHFFFAOYSA-N 0 0 399.455 0.059 10 0 GCAERN O=C(Nc1cc(C2CC2)nn1-c1ncccn1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189780249 1197238552 /nfs/dbraw/zinc/23/85/52/1197238552.db2.gz JAZYHBGUIDSEPY-UHFFFAOYSA-N 0 0 381.440 0.785 10 0 GCAERN CCc1nc(C2CCN([C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)n[nH]1 ZINC000190644307 1197241441 /nfs/dbraw/zinc/24/14/41/1197241441.db2.gz CCZPSVMYZFEOHV-GXTWGEPZSA-N 0 0 383.518 0.581 10 0 GCAERN CCn1c2nnc(CN3CCCN(CCOC)C(=O)C3)n2c2ccccc2c1=O ZINC000190759595 1197242175 /nfs/dbraw/zinc/24/21/75/1197242175.db2.gz KSGJCTKXORNRRF-UHFFFAOYSA-N 0 0 398.467 0.745 10 0 GCAERN C[C@H](NC(=O)CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C(=O)N(C)C ZINC000192154909 1197245445 /nfs/dbraw/zinc/24/54/45/1197245445.db2.gz FXSOTKGYZQPGOE-FABXCBLPSA-N 0 0 380.876 0.794 10 0 GCAERN C[C@@H]1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CCS1(=O)=O ZINC000192303629 1197245966 /nfs/dbraw/zinc/24/59/66/1197245966.db2.gz QBWHCPPMGUKGKO-QGZVFWFLSA-N 0 0 379.526 0.840 10 0 GCAERN Cn1c(=O)c2cc(NC(=O)[C@H]3CCCN3c3nccs3)cnc2n(C)c1=O ZINC000192542270 1197247304 /nfs/dbraw/zinc/24/73/04/1197247304.db2.gz RVVMAFDKURVHMW-GFCCVEGCSA-N 0 0 386.437 0.696 10 0 GCAERN O=C(CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2)CC1)NC1CC1 ZINC000192741911 1197247948 /nfs/dbraw/zinc/24/79/48/1197247948.db2.gz DWAZECZSZSPUNW-SFHVURJKSA-N 0 0 384.480 0.714 10 0 GCAERN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000333045822 1197248432 /nfs/dbraw/zinc/24/84/32/1197248432.db2.gz PKOQVNDSQYFPIJ-UHFFFAOYSA-N 0 0 383.408 0.993 10 0 GCAERN CO[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)C[C@H]1O ZINC000453968466 1197278677 /nfs/dbraw/zinc/27/86/77/1197278677.db2.gz MLOXGEIDUQLTRK-HZPDHXFCSA-N 0 0 399.451 0.828 10 0 GCAERN 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ZINC000909674038 1197286172 /nfs/dbraw/zinc/28/61/72/1197286172.db2.gz BXIBRFSFCQYZIR-SJORKVTESA-N 0 0 394.399 0.516 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCC(=O)NCCOc2c(C)cccc2C)C1 ZINC000909674246 1197286673 /nfs/dbraw/zinc/28/66/73/1197286673.db2.gz CXNSKXICKRLPCA-MRXNPFEDSA-N 0 0 378.425 0.589 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000909674751 1197286925 /nfs/dbraw/zinc/28/69/25/1197286925.db2.gz RWHNULIKCXCOGL-KRWDZBQOSA-N 0 0 393.415 0.265 10 0 GCAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000193542342 1197287081 /nfs/dbraw/zinc/28/70/81/1197287081.db2.gz CMVKSWJPKZFHQS-CQSZACIVSA-N 0 0 395.471 0.831 10 0 GCAERN CCN1CCN(CC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)OC)C(=O)C1=O ZINC000610825829 1197291190 /nfs/dbraw/zinc/29/11/90/1197291190.db2.gz QUXXLLHEPQULRJ-INIZCTEOSA-N 0 0 389.452 0.734 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000909676711 1197293806 /nfs/dbraw/zinc/29/38/06/1197293806.db2.gz 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/nfs/dbraw/zinc/82/12/80/1201821280.db2.gz CTIIRZNADZVODN-OAHLLOKOSA-N 0 0 379.486 0.942 10 0 GCAERN CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000744678734 1201850773 /nfs/dbraw/zinc/85/07/73/1201850773.db2.gz FOBPEECHFXKVSC-VKAVYKQESA-N 0 0 381.436 0.606 10 0 GCAERN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000744679216 1201852425 /nfs/dbraw/zinc/85/24/25/1201852425.db2.gz QCEADRJULSPERL-HNNXBMFYSA-N 0 0 393.447 0.944 10 0 GCAERN CC(=O)N1CCN(C(=O)COC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000745278732 1201868152 /nfs/dbraw/zinc/86/81/52/1201868152.db2.gz CHXBTSRXHJDPSI-JKSUJKDBSA-N 0 0 388.420 0.795 10 0 GCAERN CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)CC2CC2)cc1 ZINC000745433484 1201875515 /nfs/dbraw/zinc/87/55/15/1201875515.db2.gz KTXUINZKDSJHOV-UHFFFAOYSA-N 0 0 396.465 0.574 10 0 GCAERN C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000745694360 1201885074 /nfs/dbraw/zinc/88/50/74/1201885074.db2.gz HOHKALFCAVATIM-MEBBXXQBSA-N 0 0 380.397 0.809 10 0 GCAERN C=CC(=O)NCCC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 ZINC000746161151 1201902371 /nfs/dbraw/zinc/90/23/71/1201902371.db2.gz ONUFURRACVYSJW-UHFFFAOYSA-N 0 0 387.484 0.528 10 0 GCAERN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCCCn3ccnn3)CC2)C1 ZINC000183566236 1201902623 /nfs/dbraw/zinc/90/26/23/1201902623.db2.gz PUVLWZRCBUWZPG-IAGOWNOFSA-N 0 0 391.520 0.500 10 0 GCAERN Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCc3ccc(C4CC4)cc3)cnc21 ZINC000190458172 1201910242 /nfs/dbraw/zinc/91/02/42/1201910242.db2.gz XHXMUISFXQVGRT-UHFFFAOYSA-N 0 0 386.433 0.978 10 0 GCAERN CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3cncc(F)c3)CC2)CC1 ZINC000066903597 1201920649 /nfs/dbraw/zinc/92/06/49/1201920649.db2.gz IYPGICDUUATBCW-UHFFFAOYSA-N 0 0 384.477 0.786 10 0 GCAERN CC(C)c1nnc2n1CCN(C(=O)C(=O)NCCc1cccc(C(N)=O)c1)[C@H]2C ZINC000804273077 1201922175 /nfs/dbraw/zinc/92/21/75/1201922175.db2.gz NRJKBDBCNGNXAB-ZDUSSCGKSA-N 0 0 398.467 0.763 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c1 ZINC000003527570 1201929514 /nfs/dbraw/zinc/92/95/14/1201929514.db2.gz XXZNDFOHGJKSAS-UHFFFAOYSA-N 0 0 397.453 0.910 10 0 GCAERN CCCN(CCNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000804309447 1201937395 /nfs/dbraw/zinc/93/73/95/1201937395.db2.gz FKMTVCZAUCNPSF-HNNXBMFYSA-N 0 0 398.504 0.293 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)[C@@H](C)C1 ZINC000804311620 1201940083 /nfs/dbraw/zinc/94/00/83/1201940083.db2.gz ORBZMVGGJFMNIH-ZDUSSCGKSA-N 0 0 396.488 0.581 10 0 GCAERN C[C@H](CO)COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000766667687 1201943771 /nfs/dbraw/zinc/94/37/71/1201943771.db2.gz NZHXMJGXVRLJFW-GFCCVEGCSA-N 0 0 383.470 0.928 10 0 GCAERN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OC[C@@H](C)CO)o1 ZINC000766688613 1201947050 /nfs/dbraw/zinc/94/70/50/1201947050.db2.gz GXLLJNMLLJMXIQ-RYUDHWBXSA-N 0 0 389.426 0.781 10 0 GCAERN CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000804328278 1201949407 /nfs/dbraw/zinc/94/94/07/1201949407.db2.gz 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O=C(CN1CCOC[C@H]1CCO)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000767586101 1201978501 /nfs/dbraw/zinc/97/85/01/1201978501.db2.gz FPNMLMUOJNRJQW-CQSZACIVSA-N 0 0 390.419 0.701 10 0 GCAERN O=C(CN1CCOC[C@@H]1CCO)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000767610373 1201979452 /nfs/dbraw/zinc/97/94/52/1201979452.db2.gz SCAKIFBPMGCTIN-AWEZNQCLSA-N 0 0 379.413 0.579 10 0 GCAERN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCOC[C@H]1CCO ZINC000767593712 1201979637 /nfs/dbraw/zinc/97/96/37/1201979637.db2.gz KXRAIXHFUALRAM-CRAIPNDOSA-N 0 0 389.452 0.451 10 0 GCAERN O=C(CN1CCOC[C@H]1CCO)NCc1ccccc1CN1CCCC1=O ZINC000767597853 1201980066 /nfs/dbraw/zinc/98/00/66/1201980066.db2.gz IGNJENYSTCGANT-GOSISDBHSA-N 0 0 375.469 0.508 10 0 GCAERN O=C(CN1CCOC[C@H]1CCO)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000767605193 1201980253 /nfs/dbraw/zinc/98/02/53/1201980253.db2.gz VDIUSCUQIKQVQT-SJORKVTESA-N 0 0 388.530 0.418 10 0 GCAERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)CNC(=O)c1cccnc1 ZINC000767626955 1201980669 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Cc1ncc(CN2CCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)s1 ZINC000110940699 530830486 /nfs/dbraw/zinc/83/04/86/530830486.db2.gz BSJYXKNALCDEEN-OAHLLOKOSA-N 0 0 386.543 0.910 10 0 GCAERN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC[C@H]1C(=O)OC ZINC000490716588 530830704 /nfs/dbraw/zinc/83/07/04/530830704.db2.gz ZCSQSDGHMZFLPW-LBPRGKRZSA-N 0 0 390.483 0.701 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)s1 ZINC000377952941 530831972 /nfs/dbraw/zinc/83/19/72/530831972.db2.gz PCXSXVGJLHWHIX-LLVKDONJSA-N 0 0 388.467 0.593 10 0 GCAERN CN(CC(=O)Nc1ccc(Br)cn1)C[C@H](O)CN1CCCC1=O ZINC000111690217 530833505 /nfs/dbraw/zinc/83/35/05/530833505.db2.gz KJTLUMMGDPIHRU-LBPRGKRZSA-N 0 0 385.262 0.698 10 0 GCAERN CN(CC(=O)Nc1ccc(Br)cn1)C[C@@H](O)CN1CCCC1=O ZINC000111690219 530833624 /nfs/dbraw/zinc/83/36/24/530833624.db2.gz KJTLUMMGDPIHRU-GFCCVEGCSA-N 0 0 385.262 0.698 10 0 GCAERN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C1 ZINC000375988005 530808906 /nfs/dbraw/zinc/80/89/06/530808906.db2.gz YSVOTBMWTLDLRA-TYNCELHUSA-N 0 0 375.516 0.323 10 0 GCAERN CC1(C)CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CCS1(=O)=O ZINC000268419002 530809008 /nfs/dbraw/zinc/80/90/08/530809008.db2.gz VZZHOTNNPFCNLV-UHFFFAOYSA-N 0 0 385.467 0.387 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000487333593 530811807 /nfs/dbraw/zinc/81/18/07/530811807.db2.gz GPXXBFHFNXHOHZ-JGVFFNPUSA-N 0 0 382.360 0.839 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)Cc1c(F)cccc1F ZINC000487368193 530812276 /nfs/dbraw/zinc/81/22/76/530812276.db2.gz QIKURWZMSDAIGT-NXEZZACHSA-N 0 0 378.397 0.841 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)c(F)c1 ZINC000619480908 530817583 /nfs/dbraw/zinc/81/75/83/530817583.db2.gz LADWXMNQIUOFSC-UHFFFAOYSA-N 0 0 394.446 0.316 10 0 GCAERN CCN1CC[C@@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1=O ZINC000670027452 530818416 /nfs/dbraw/zinc/81/84/16/530818416.db2.gz LROWBWRKJDDIKH-CYBMUJFWSA-N 0 0 385.511 0.812 10 0 GCAERN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000268832540 530818467 /nfs/dbraw/zinc/81/84/67/530818467.db2.gz MPJCKXGIBVUUCS-LRDDRELGSA-N 0 0 388.511 0.869 10 0 GCAERN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000268777399 530818595 /nfs/dbraw/zinc/81/85/95/530818595.db2.gz HKZHXCJCPJYUAD-CJNGLKHVSA-N 0 0 388.511 0.910 10 0 GCAERN CCN1CC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1=O ZINC000670030506 530818967 /nfs/dbraw/zinc/81/89/67/530818967.db2.gz UZDCELWGSYMPJW-LLVKDONJSA-N 0 0 387.483 0.120 10 0 GCAERN O=C(c1sccc1S(=O)(=O)N1CCSCC1)N1CCO[C@@H](CO)C1 ZINC000269091191 530820394 /nfs/dbraw/zinc/82/03/94/530820394.db2.gz SQXLOYVFUDISEA-LLVKDONJSA-N 0 0 392.524 0.319 10 0 GCAERN O=C(Nc1ccncc1I)N1C[C@@H]2COC[C@H](C1)O2 ZINC000619790476 530823103 /nfs/dbraw/zinc/82/31/03/530823103.db2.gz OIDONQCXKBJQBI-DTORHVGOSA-N 0 0 375.166 0.740 10 0 GCAERN CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OC)cc1C ZINC000494792531 530847143 /nfs/dbraw/zinc/84/71/43/530847143.db2.gz RHAQLAOIQLCQPT-CYBMUJFWSA-N 0 0 390.483 0.484 10 0 GCAERN Cc1nnc([C@H]2CN(C(=O)c3nc4ncc(Br)cn4n3)CCO2)[nH]1 ZINC000173091338 530848158 /nfs/dbraw/zinc/84/81/58/530848158.db2.gz FIKCRBYJAWRRRP-SECBINFHSA-N 0 0 393.205 0.527 10 0 GCAERN Cn1cc(Br)cc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)c1=O ZINC000175874045 530849211 /nfs/dbraw/zinc/84/92/11/530849211.db2.gz FSYJYOSUTSXSRS-HWYHXSKPSA-N 0 0 398.257 0.706 10 0 GCAERN C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000270654759 530849733 /nfs/dbraw/zinc/84/97/33/530849733.db2.gz RMYJWFGWWMKTMO-WFASDCNBSA-N 0 0 390.483 0.163 10 0 GCAERN O=C(c1ccc2ncc(I)n2c1)N1CCNC(=O)CC1 ZINC000176463217 530850244 /nfs/dbraw/zinc/85/02/44/530850244.db2.gz LVSQMSOFVAXXQA-UHFFFAOYSA-N 0 0 384.177 0.901 10 0 GCAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NCCNS(C)(=O)=O)CC2 ZINC000176920938 530850732 /nfs/dbraw/zinc/85/07/32/530850732.db2.gz FUCQBMUCSJHBID-SECBINFHSA-N 0 0 380.392 0.574 10 0 GCAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)Nc1ccc(F)cc1Br ZINC000178962190 530851894 /nfs/dbraw/zinc/85/18/94/530851894.db2.gz SBFQPGIAKRKSHV-LLVKDONJSA-N 0 0 385.237 0.643 10 0 GCAERN CN1CC[C@@H](NC(=O)NCCS(N)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179524895 530853025 /nfs/dbraw/zinc/85/30/25/530853025.db2.gz XAQGLNKMTLKHAT-OLZOCXBDSA-N 0 0 378.857 0.812 10 0 GCAERN Cn1cc([C@@H]2CNCCN2C(=O)Cn2cc(Br)ccc2=O)cn1 ZINC000181376985 530853468 /nfs/dbraw/zinc/85/34/68/530853468.db2.gz FRCHEYQMNGVGSN-ZDUSSCGKSA-N 0 0 380.246 0.517 10 0 GCAERN O=S(=O)([C@H]1CCN(Cc2cnc(N3CCOCC3)s2)C1)N1CCCC1 ZINC000180743525 530853519 /nfs/dbraw/zinc/85/35/19/530853519.db2.gz OUWLJWCTQXHRTP-HNNXBMFYSA-N 0 0 386.543 0.980 10 0 GCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000180215205 530853593 /nfs/dbraw/zinc/85/35/93/530853593.db2.gz LDSYWSGXUPCQNQ-GFCCVEGCSA-N 0 0 380.198 0.617 10 0 GCAERN C[C@@H](CS(C)(=O)=O)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000499253833 530854443 /nfs/dbraw/zinc/85/44/43/530854443.db2.gz IZXAITFEUICKAA-NSHDSACASA-N 0 0 382.463 0.898 10 0 GCAERN CS(=O)(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccccc2)CC1 ZINC000055317824 530854638 /nfs/dbraw/zinc/85/46/38/530854638.db2.gz LLABJFJBYDHVHY-CQSZACIVSA-N 0 0 383.495 0.306 10 0 GCAERN C[C@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C[C@@H]1N1CCOCC1 ZINC000185098046 530855648 /nfs/dbraw/zinc/85/56/48/530855648.db2.gz ZCXITNCLGOTWFF-AAEUAGOBSA-N 0 0 382.408 0.787 10 0 GCAERN COc1ccc2c(c1)OC[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C2 ZINC000271113718 530874824 /nfs/dbraw/zinc/87/48/24/530874824.db2.gz QLISUOHBHOSRKI-GFCCVEGCSA-N 0 0 375.468 0.495 10 0 GCAERN Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000187925357 530864178 /nfs/dbraw/zinc/86/41/78/530864178.db2.gz FGHLODHLNSHJPX-NSHDSACASA-N 0 0 399.264 0.951 10 0 GCAERN C[C@@H]1C(=O)NCCCN1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000189274513 530865906 /nfs/dbraw/zinc/86/59/06/530865906.db2.gz JRCQOKCHBZAQHO-LLVKDONJSA-N 0 0 397.273 0.714 10 0 GCAERN CNS(=O)(=O)CCNC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000189011284 530865984 /nfs/dbraw/zinc/86/59/84/530865984.db2.gz LGRHVFPURDUKIB-SECBINFHSA-N 0 0 380.392 0.574 10 0 GCAERN Cc1c(Br)ccc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)c1F ZINC000193206029 530869330 /nfs/dbraw/zinc/86/93/30/530869330.db2.gz NTAUZTFNZWPZEP-NSHDSACASA-N 0 0 399.264 0.951 10 0 GCAERN O=C(N1CC(S(=O)(=O)N2CCc3ccccc32)C1)C1(O)CCSCC1 ZINC000378539594 530838959 /nfs/dbraw/zinc/83/89/59/530838959.db2.gz OIYAXKZDESFGMF-UHFFFAOYSA-N 0 0 382.507 0.848 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)N2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000461974546 530841163 /nfs/dbraw/zinc/84/11/63/530841163.db2.gz ZMOUAVKDZHPNCO-ZDUSSCGKSA-N 0 0 375.472 0.636 10 0 GCAERN CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCNC(=O)CC2)c1 ZINC000171534706 530842807 /nfs/dbraw/zinc/84/28/07/530842807.db2.gz SHSORRHOCPOIPH-UHFFFAOYSA-N 0 0 375.244 0.815 10 0 GCAERN CNS(=O)(=O)CCCS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1 ZINC000112626557 530845919 /nfs/dbraw/zinc/84/59/19/530845919.db2.gz NDQMITYDTGFPNP-UHFFFAOYSA-N 0 0 375.447 0.866 10 0 GCAERN CC(C)(CNC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O)NS(C)(=O)=O ZINC000670123747 530882674 /nfs/dbraw/zinc/88/26/74/530882674.db2.gz KFERQAVTLRODPA-OLZOCXBDSA-N 0 0 377.507 0.181 10 0 GCAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@H]1CCc2ncnn2C1 ZINC000112657341 530933087 /nfs/dbraw/zinc/93/30/87/530933087.db2.gz UPPURPLLGLGXTH-QMMMGPOBSA-N 0 0 375.863 0.403 10 0 GCAERN O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CCO[C@@H]2CCC[C@H]21 ZINC000332835674 530934869 /nfs/dbraw/zinc/93/48/69/530934869.db2.gz ZGDFMKJMXFSHJB-RRFJBIMHSA-N 0 0 375.491 0.438 10 0 GCAERN C[C@H](CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)N1CCCCC1=O ZINC000509245111 530916471 /nfs/dbraw/zinc/91/64/71/530916471.db2.gz CEGVYLRYEBBRST-CYBMUJFWSA-N 0 0 388.511 0.911 10 0 GCAERN CCN(CC(=O)OC)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000509787772 530921976 /nfs/dbraw/zinc/92/19/76/530921976.db2.gz JFIJYDVPNSVKMQ-UHFFFAOYSA-N 0 0 376.456 0.311 10 0 GCAERN CS(=O)(=O)NCC1CCN(CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000510176908 530924405 /nfs/dbraw/zinc/92/44/05/530924405.db2.gz QQXUWHCNGPZWJO-UHFFFAOYSA-N 0 0 390.527 0.730 10 0 GCAERN COC(=O)c1csc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000610903967 530927445 /nfs/dbraw/zinc/92/74/45/530927445.db2.gz ZTDODHKKGLVDGR-UHFFFAOYSA-N 0 0 389.455 0.015 10 0 GCAERN O=C(CNC(=O)CSc1nnnn1CC(F)(F)F)NC1CCCCC1 ZINC000517298243 530959933 /nfs/dbraw/zinc/95/99/33/530959933.db2.gz DLJUVJXPBQFGNI-UHFFFAOYSA-N 0 0 380.396 0.893 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)c1 ZINC000520977335 530963094 /nfs/dbraw/zinc/96/30/94/530963094.db2.gz JOGLJDPWZMCNCE-UHFFFAOYSA-N 0 0 383.451 0.423 10 0 GCAERN C[C@H]1CN(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CCS1(=O)=O ZINC000332854728 530935088 /nfs/dbraw/zinc/93/50/88/530935088.db2.gz DJZQLDQTXNLCEP-ZFWWWQNUSA-N 0 0 377.532 0.023 10 0 GCAERN O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000332852519 530935188 /nfs/dbraw/zinc/93/51/88/530935188.db2.gz YCXFXANCSJWTIE-QWRGUYRKSA-N 0 0 379.404 0.967 10 0 GCAERN C[C@@H]1CO[C@H](CO)CN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000511314114 530935355 /nfs/dbraw/zinc/93/53/55/530935355.db2.gz JRMGPVLZOPNDMY-HZSPNIEDSA-N 0 0 388.511 0.900 10 0 GCAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)N(S(C)(=O)=O)C1 ZINC000332921319 530935522 /nfs/dbraw/zinc/93/55/22/530935522.db2.gz QBTGIWPVSDPKEZ-RMRHIDDWSA-N 0 0 378.516 0.206 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCc2nccs2)c1 ZINC000511936216 530940785 /nfs/dbraw/zinc/94/07/85/530940785.db2.gz WGKHKUZJYYAKES-UHFFFAOYSA-N 0 0 382.467 0.691 10 0 GCAERN CCc1cnc(CCNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)s1 ZINC000173031553 530942234 /nfs/dbraw/zinc/94/22/34/530942234.db2.gz IFWBGKDPWUFOTN-UHFFFAOYSA-N 0 0 387.259 0.677 10 0 GCAERN C[C@@H]1CN(C(=O)c2ccncc2I)C[C@H](C(N)=O)O1 ZINC000131126789 530942867 /nfs/dbraw/zinc/94/28/67/530942867.db2.gz XNXGMVIAFJPDQU-GMSGAONNSA-N 0 0 375.166 0.401 10 0 GCAERN COC[C@H](CNS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC)OC ZINC000512416587 530942931 /nfs/dbraw/zinc/94/29/31/530942931.db2.gz WPFDEUZETNBJJC-JTQLQIEISA-N 0 0 377.415 0.430 10 0 GCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000173997766 530946136 /nfs/dbraw/zinc/94/61/36/530946136.db2.gz NIZLSASONFTJLQ-QMMMGPOBSA-N 0 0 398.261 0.397 10 0 GCAERN COCCCS(=O)(=O)NCCN1CCN(Cc2cnc(C)s2)CC1 ZINC000175187401 530948633 /nfs/dbraw/zinc/94/86/33/530948633.db2.gz JYFXGZFJCSLGRC-UHFFFAOYSA-N 0 0 376.548 0.525 10 0 GCAERN CCN1CC[C@@H](NC(=O)CS(=O)(=O)c2cccc(Br)c2)C1=O ZINC000670171218 530948870 /nfs/dbraw/zinc/94/88/70/530948870.db2.gz GVFKSQPJFURRSW-GFCCVEGCSA-N 0 0 389.271 0.960 10 0 GCAERN COC(=O)c1cc(F)ccc1S(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000611144550 530948888 /nfs/dbraw/zinc/94/88/88/530948888.db2.gz PRHKQQLWBYFQBL-UHFFFAOYSA-N 0 0 394.446 0.316 10 0 GCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194324602 530950189 /nfs/dbraw/zinc/95/01/89/530950189.db2.gz VZJHAXXQNLEKHO-AAEUAGOBSA-N 0 0 389.271 0.903 10 0 GCAERN CCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1=O ZINC000670172206 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CC(C)NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000006772474 209682740 /nfs/dbraw/zinc/68/27/40/209682740.db2.gz FIRNLUMQLJSDJO-UHFFFAOYSA-N 0 0 381.454 0.721 10 0 GCAERN C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000028238525 209243898 /nfs/dbraw/zinc/24/38/98/209243898.db2.gz XGEUYEOEZYFHRL-KKXDTOCCSA-N 0 0 399.447 0.579 10 0 GCAERN CCO[C@@]1(C)O[C@H]2[C@H](O1)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O ZINC000253385764 209217984 /nfs/dbraw/zinc/21/79/84/209217984.db2.gz ULBLUAFHNLHIND-UKRFAEJPSA-N 0 0 376.358 0.263 10 0 GCAERN CC(=O)OCC1=C2/C(=C\[C@]3(C)CC[C@@](O)(O3)[C@](C)(O)C[C@H]2OC(C)=O)OC1=O ZINC000261492337 212029877 /nfs/dbraw/zinc/02/98/77/212029877.db2.gz GSADBENAXUTZTK-RRRPBPPSSA-N 0 0 396.392 0.631 10 0 GCAERN O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000004201273 204032707 /nfs/dbraw/zinc/03/27/07/204032707.db2.gz AFNIWSWAXBXXGT-HGSJOUDDSA-N 0 0 392.371 0.627 10 0 GCAERN 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CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)n1 ZINC000328612034 570556686 /nfs/dbraw/zinc/55/66/86/570556686.db2.gz NNKGXCDNJFKPKA-OAHLLOKOSA-N 0 0 379.398 0.496 10 0 GCAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cc(Cl)cnc3N)C2=O)n(C)n1 ZINC000269755332 570662323 /nfs/dbraw/zinc/66/23/23/570662323.db2.gz FAQQOMOAAGMFFX-NSHDSACASA-N 0 0 398.876 0.833 10 0 GCAERN COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N1CCC(O)CC1 ZINC000055154903 570685019 /nfs/dbraw/zinc/68/50/19/570685019.db2.gz IHZUQGFSWOYTOV-JXTAAOLFSA-N 0 0 387.480 0.882 10 0 GCAERN NC(=O)Cn1cc(C[C@@H]2NC(=O)N(Cc3ccc(F)cc3Cl)C2=O)nn1 ZINC000275337740 570690517 /nfs/dbraw/zinc/69/05/17/570690517.db2.gz REBSKLZVHWDLIM-LBPRGKRZSA-N 0 0 380.767 0.219 10 0 GCAERN CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O ZINC000255197025 570897357 /nfs/dbraw/zinc/89/73/57/570897357.db2.gz ATMZVVNNICECKQ-MNSFQJRNSA-N 0 0 380.481 0.831 10 0 GCAERN Cc1cccc(CNC(=O)CN2C(=O)N[C@@H](Cc3cn(C(C)C)nn3)C2=O)c1 ZINC000547681731 570904146 /nfs/dbraw/zinc/90/41/46/570904146.db2.gz RXCVILBUWCRIFW-INIZCTEOSA-N 0 0 384.440 0.947 10 0 GCAERN O=C(c1ccccc1)N(CCS(=O)(=O)N1CCNCC1)C[C@H]1CCCO1 ZINC000015868779 570908011 /nfs/dbraw/zinc/90/80/11/570908011.db2.gz LNPATPYYJDQMDH-QGZVFWFLSA-N 0 0 381.498 0.543 10 0 GCAERN O=C(c1ccccc1)N(CCS(=O)(=O)N1CCNCC1)C[C@@H]1CCCO1 ZINC000015868778 570908034 /nfs/dbraw/zinc/90/80/34/570908034.db2.gz LNPATPYYJDQMDH-KRWDZBQOSA-N 0 0 381.498 0.543 10 0 GCAERN CN(C)S(=O)(=O)c1ccc(N2CCO[C@@H](C(F)F)C2)c(S(N)(=O)=O)c1 ZINC000804693476 638446602 /nfs/dbraw/zinc/44/66/02/638446602.db2.gz GLFFDNHNWCBHJR-LLVKDONJSA-N 0 0 399.441 0.055 10 0 GCAERN CO[C@@H]1CN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC[C@@H]1C ZINC000187714599 638544608 /nfs/dbraw/zinc/54/46/08/638544608.db2.gz UJYQJNVQNYPIKY-VHSXEESVSA-N 0 0 398.261 0.776 10 0 GCAERN O=c1ccc2cc(S(=O)(=O)NCCCN3CCCS3(=O)=O)ccc2o1 ZINC000725840941 638576737 /nfs/dbraw/zinc/57/67/37/638576737.db2.gz UCHCIQQZLUJNIG-UHFFFAOYSA-N 0 0 386.451 0.497 10 0 GCAERN C#CCN(CC(=O)NNC(=O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066539307 638584821 /nfs/dbraw/zinc/58/48/21/638584821.db2.gz MLNBZEXNZVGWNJ-AWEZNQCLSA-N 0 0 383.857 0.223 10 0 GCAERN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(=O)OC)c1C ZINC000066576144 638585594 /nfs/dbraw/zinc/58/55/94/638585594.db2.gz DRWQWNGHKSCCSL-CYBMUJFWSA-N 0 0 385.463 0.593 10 0 GCAERN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408026628 638595823 /nfs/dbraw/zinc/59/58/23/638595823.db2.gz ZONBORHXDPHXFG-UPJWGTAASA-N 0 0 391.515 0.681 10 0 GCAERN O=C(CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)N1CCN(Cc2ccsc2)CC1 ZINC000329158605 638613897 /nfs/dbraw/zinc/61/38/97/638613897.db2.gz DOLZXLLPBRUAKU-JKSUJKDBSA-N 0 0 383.539 0.511 10 0 GCAERN O=C(O[C@H]1CCS(=O)(=O)C1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000726328105 638672770 /nfs/dbraw/zinc/67/27/70/638672770.db2.gz DESWEJBBZFTARN-AWEZNQCLSA-N 0 0 387.479 0.818 10 0 GCAERN O=C(OCCN1CCNC1=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000726387754 638674846 /nfs/dbraw/zinc/67/48/46/638674846.db2.gz XYEAFAFEQDKNTF-GFCCVEGCSA-N 0 0 387.483 0.860 10 0 GCAERN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCCCN1CCCS1(=O)=O ZINC000728026313 639066466 /nfs/dbraw/zinc/06/64/66/639066466.db2.gz ZNQOKPJCRSTNKJ-XMRSSTEGSA-N 0 0 389.543 0.786 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)CCS(C)(=O)=O)cc1C ZINC000728026559 639067430 /nfs/dbraw/zinc/06/74/30/639067430.db2.gz HNSRSONKOOCLGU-UHFFFAOYSA-N 0 0 376.500 0.427 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCCCS(C)(=O)=O)cc1C ZINC000728619735 639090190 /nfs/dbraw/zinc/09/01/90/639090190.db2.gz QEBWQRKRZWYNDQ-UHFFFAOYSA-N 0 0 377.484 0.902 10 0 GCAERN CC(=O)N1CCN(Cc2cn(Cc3ccc(Br)nc3N)nn2)CC1 ZINC000905817960 639310172 /nfs/dbraw/zinc/31/01/72/639310172.db2.gz XAWJERLECQTKJH-UHFFFAOYSA-N 0 0 394.277 0.730 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)N2CCn3ncc(I)c32)C1 ZINC000905891990 639311372 /nfs/dbraw/zinc/31/13/72/639311372.db2.gz CMXFKFWKNGWKGW-JTQLQIEISA-N 0 0 390.181 0.082 10 0 GCAERN C/C(=C/C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CN1CCOCC1 ZINC000908125915 639440285 /nfs/dbraw/zinc/44/02/85/639440285.db2.gz SGQMSJJPNNNIKA-KGTBHZDVSA-N 0 0 387.424 0.203 10 0 GCAERN CCS(=O)(=O)N1CCN(C(=O)c2cnc(-n3cnnc3)c(Cl)c2)CC1 ZINC000223062270 639589809 /nfs/dbraw/zinc/58/98/09/639589809.db2.gz PIQPJTYYRIRLLE-UHFFFAOYSA-N 0 0 384.849 0.423 10 0 GCAERN Cn1nc(Br)c2c1ncn(CC(=O)NCc1cscn1)c2=O ZINC000171285859 639633728 /nfs/dbraw/zinc/63/37/28/639633728.db2.gz TUTKLOKBGXJVPC-UHFFFAOYSA-N 0 0 383.231 0.665 10 0 GCAERN CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000788025546 639642021 /nfs/dbraw/zinc/64/20/21/639642021.db2.gz AGPKGLKDASTNDD-UHFFFAOYSA-N 0 0 377.488 0.745 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000730310212 639644482 /nfs/dbraw/zinc/64/44/82/639644482.db2.gz KKUHBAGGRYCNAC-ZDUSSCGKSA-N 0 0 386.451 0.705 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000730309036 639644504 /nfs/dbraw/zinc/64/45/04/639644504.db2.gz HRHXHLBZCUJGQI-ZDUSSCGKSA-N 0 0 386.451 0.493 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)OCCCOC(=O)[C@H]1CSCN1C(C)=O ZINC000730308739 639644746 /nfs/dbraw/zinc/64/47/46/639644746.db2.gz SGLMMCRXSSXBCW-BETUJISGSA-N 0 0 390.483 0.306 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000730314088 639645382 /nfs/dbraw/zinc/64/53/82/639645382.db2.gz YUVDNEZANBRDLZ-ZDUSSCGKSA-N 0 0 386.451 0.493 10 0 GCAERN O=S(=O)([C@@H]1COC[C@H]1O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000913938527 639685148 /nfs/dbraw/zinc/68/51/48/639685148.db2.gz AOZPSCLBHNISMA-VXGBXAGGSA-N 0 0 382.269 0.600 10 0 GCAERN COC(=O)NCCc1ccc(S(=O)(=O)NCCNc2cnccn2)s1 ZINC000788039773 639790334 /nfs/dbraw/zinc/79/03/34/639790334.db2.gz IWRGUZZKZAOYIZ-UHFFFAOYSA-N 0 0 385.471 0.827 10 0 GCAERN COC(=O)NCCc1ccc(S(=O)(=O)NCCN2CCOC[C@H]2C)s1 ZINC000788046127 639811162 /nfs/dbraw/zinc/81/11/62/639811162.db2.gz WBTPPIRLTBCPMR-GFCCVEGCSA-N 0 0 391.515 0.646 10 0 GCAERN COC(=O)NCCc1ccc(S(=O)(=O)NCCN2CCOC[C@@H]2C)s1 ZINC000788046130 639811168 /nfs/dbraw/zinc/81/11/68/639811168.db2.gz WBTPPIRLTBCPMR-LBPRGKRZSA-N 0 0 391.515 0.646 10 0 GCAERN COc1c(F)cc(CC(=O)NCC[S@](=O)C(C)(C)C)cc1S(N)(=O)=O ZINC000732769505 639814213 /nfs/dbraw/zinc/81/42/13/639814213.db2.gz XJTRDOISKSCINH-DEOSSOPVSA-N 0 0 394.490 0.688 10 0 GCAERN O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC(n2cncn2)C1 ZINC000732760421 639814218 /nfs/dbraw/zinc/81/42/18/639814218.db2.gz WFJQSECZYMBSAK-ZDUSSCGKSA-N 0 0 381.483 0.966 10 0 GCAERN COC(=O)NCCc1ccc(S(=O)(=O)N(C)[C@@H](C)CS(C)(=O)=O)s1 ZINC000788048828 639814461 /nfs/dbraw/zinc/81/44/61/639814461.db2.gz WXRSJPSNYHTZCI-JTQLQIEISA-N 0 0 398.528 0.700 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000732944474 639815380 /nfs/dbraw/zinc/81/53/80/639815380.db2.gz BUMQSMLNGDWQFK-NSHDSACASA-N 0 0 385.458 0.288 10 0 GCAERN CN(C)c1cc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc(Cl)n1 ZINC000733091020 639822156 /nfs/dbraw/zinc/82/21/56/639822156.db2.gz BFPSBEKBNNVSAP-UHFFFAOYSA-N 0 0 375.882 0.365 10 0 GCAERN C[C@H](NC(=O)c1cc(Cl)nc(N(C)C)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000733147548 639830294 /nfs/dbraw/zinc/83/02/94/639830294.db2.gz RYGCSSULYFMFFP-JTQLQIEISA-N 0 0 388.877 0.176 10 0 GCAERN CC(=O)c1cn(Cc2c(I)cnn2C)c(=O)n(C)c1=O ZINC000917199759 639844602 /nfs/dbraw/zinc/84/46/02/639844602.db2.gz KIYZQDCIPLWIDX-UHFFFAOYSA-N 0 0 388.165 0.136 10 0 GCAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)NCC23COCCN2CCOC3)c1 ZINC000918386825 639876027 /nfs/dbraw/zinc/87/60/27/639876027.db2.gz LYTXQUXLINKWSW-UHFFFAOYSA-N 0 0 388.873 0.922 10 0 GCAERN C[C@@H]1CN(Cn2nc(Br)nc2Br)CCS1(=O)=O ZINC000175236404 639948534 /nfs/dbraw/zinc/94/85/34/639948534.db2.gz VRUBVGYBUZWCCD-ZCFIWIBFSA-N 0 0 388.085 0.880 10 0 GCAERN Cc1ccc([C@@](O)(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)C(F)(F)F)o1 ZINC000180190663 639953960 /nfs/dbraw/zinc/95/39/60/639953960.db2.gz MCLMKAORURISGU-GWCFXTLKSA-N 0 0 384.376 0.878 10 0 GCAERN CC[S@](=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000733899356 639987983 /nfs/dbraw/zinc/98/79/83/639987983.db2.gz 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1192336831 /nfs/dbraw/zinc/33/68/31/1192336831.db2.gz ZQSQYPKVHYDMRG-OAHLLOKOSA-N 0 0 395.525 0.938 10 0 GCAERN O=C(CN1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1)N1CCCCC1 ZINC000052247357 1192338417 /nfs/dbraw/zinc/33/84/17/1192338417.db2.gz KOLIFLFTXHTTDJ-RBUKOAKNSA-N 0 0 392.544 0.787 10 0 GCAERN O=C(CN1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1)N1CCCCC1 ZINC000052247356 1192338785 /nfs/dbraw/zinc/33/87/85/1192338785.db2.gz KOLIFLFTXHTTDJ-OALUTQOASA-N 0 0 392.544 0.787 10 0 GCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CCCN(S(C)(=O)=O)CC3)C2)cn1 ZINC000408252923 1192341589 /nfs/dbraw/zinc/34/15/89/1192341589.db2.gz CCOWLAATIQHHJJ-CQSZACIVSA-N 0 0 384.506 0.066 10 0 GCAERN Cc1c(F)cccc1NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000408260383 1192344449 /nfs/dbraw/zinc/34/44/49/1192344449.db2.gz VJPANGOZMAKRSG-UHFFFAOYSA-N 0 0 386.449 0.861 10 0 GCAERN CC(C)(CNC(=O)N1CCNC(=O)C[C@H]1c1ccccc1)NS(C)(=O)=O ZINC000604198217 1192347888 /nfs/dbraw/zinc/34/78/88/1192347888.db2.gz YYIGVQZTDSGLSM-AWEZNQCLSA-N 0 0 382.486 0.587 10 0 GCAERN O=C(c1ccc(N2CC[C@](O)(C(F)(F)F)C2)nc1)N1CCS(=O)(=O)CC1 ZINC000408268285 1192350137 /nfs/dbraw/zinc/35/01/37/1192350137.db2.gz LTGJAECCNUWSEN-CQSZACIVSA-N 0 0 393.387 0.456 10 0 GCAERN O=C(c1ccc(F)c(F)c1F)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000408276363 1192357581 /nfs/dbraw/zinc/35/75/81/1192357581.db2.gz HQWQSJVVMSZGKK-UHFFFAOYSA-N 0 0 393.387 0.439 10 0 GCAERN Cc1noc(CN2CCN(C(=O)C[C@H](NC(N)=O)c3cccs3)CC2)n1 ZINC000585691563 1192373299 /nfs/dbraw/zinc/37/32/99/1192373299.db2.gz ZQALLJVJSWMYBC-LBPRGKRZSA-N 0 0 378.458 0.883 10 0 GCAERN CCN(CCCNC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000365259002 1192387347 /nfs/dbraw/zinc/38/73/47/1192387347.db2.gz IVLJHVANJXOYSR-MRXNPFEDSA-N 0 0 396.513 0.931 10 0 GCAERN CO[C@H]1CCC[C@@H](CC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000408307638 1192396180 /nfs/dbraw/zinc/39/61/80/1192396180.db2.gz UBETWYMFHSDWAK-CVEARBPZSA-N 0 0 389.518 0.303 10 0 GCAERN CO[C@@H]1CCC[C@@H](CC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000408307640 1192396737 /nfs/dbraw/zinc/39/67/37/1192396737.db2.gz UBETWYMFHSDWAK-HZPDHXFCSA-N 0 0 389.518 0.303 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000585734742 1192400371 /nfs/dbraw/zinc/40/03/71/1192400371.db2.gz ACKSOBIGSFYWOZ-UHFFFAOYSA-N 0 0 394.428 0.527 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000585735334 1192400424 /nfs/dbraw/zinc/40/04/24/1192400424.db2.gz WMURVNGFUCJYQA-UHFFFAOYSA-N 0 0 376.438 0.388 10 0 GCAERN C[C@H]1CN(c2ccc(C(=O)NCCCN3CCCS3(=O)=O)cn2)C[C@H](C)O1 ZINC000585734942 1192400512 /nfs/dbraw/zinc/40/05/12/1192400512.db2.gz JATXDOSWRAVWTN-GJZGRUSLSA-N 0 0 396.513 0.851 10 0 GCAERN O=C(COc1cccc(NC(=O)C2CC2)c1)NCCCN1CCCS1(=O)=O ZINC000585735293 1192400516 /nfs/dbraw/zinc/40/05/16/1192400516.db2.gz UIVHOVADTXEBRT-UHFFFAOYSA-N 0 0 395.481 0.956 10 0 GCAERN Cc1ccc(-c2nnn(CC(=O)NCCCN3CCCS3(=O)=O)n2)cc1 ZINC000585736502 1192401568 /nfs/dbraw/zinc/40/15/68/1192401568.db2.gz LYORMQIFRYPKQD-UHFFFAOYSA-N 0 0 378.458 0.190 10 0 GCAERN O=C(COc1cccc(N2CCCC2=O)c1)NCCCN1CCCS1(=O)=O ZINC000585736508 1192401581 /nfs/dbraw/zinc/40/15/81/1192401581.db2.gz ZVXLQLDRFBYKHF-UHFFFAOYSA-N 0 0 395.481 0.734 10 0 GCAERN COC(=O)C1(CNC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CCCC1 ZINC000585758747 1192405957 /nfs/dbraw/zinc/40/59/57/1192405957.db2.gz USRWZEWSSJMXES-UHFFFAOYSA-N 0 0 391.399 0.900 10 0 GCAERN COC(=O)c1cc(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)cn1C ZINC000585777608 1192409033 /nfs/dbraw/zinc/40/90/33/1192409033.db2.gz TXICRENSWJRNAV-JSGCOSHPSA-N 0 0 399.469 0.212 10 0 GCAERN CC(=O)N1C[C@H](C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)Oc2ccccc21 ZINC000843691460 1192409189 /nfs/dbraw/zinc/40/91/89/1192409189.db2.gz OAPMTXFBXYCQHX-SJLPKXTDSA-N 0 0 394.449 0.217 10 0 GCAERN CC(=O)N1C[C@@H](C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)Oc2ccccc21 ZINC000843691459 1192409592 /nfs/dbraw/zinc/40/95/92/1192409592.db2.gz OAPMTXFBXYCQHX-FUHWJXTLSA-N 0 0 394.449 0.217 10 0 GCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)C[C@H](CO)O1 ZINC000549626385 1192428592 /nfs/dbraw/zinc/42/85/92/1192428592.db2.gz LXTVROGLLDALKA-BFYDXBDKSA-N 0 0 377.441 0.458 10 0 GCAERN CCc1c(C(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000408343458 1192471287 /nfs/dbraw/zinc/47/12/87/1192471287.db2.gz PSOKEXMVCBVNMP-GHMZBOCLSA-N 0 0 392.481 0.176 10 0 GCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000279604968 1192563670 /nfs/dbraw/zinc/56/36/70/1192563670.db2.gz NOWPENMLVYLTNQ-RWMBFGLXSA-N 0 0 385.465 0.718 10 0 GCAERN Cn1c2cc(O)c(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)cc2n(C)c1=O ZINC000408374869 1192569948 /nfs/dbraw/zinc/56/99/48/1192569948.db2.gz QIQLUXFMSRBSFC-YVEFUNNKSA-N 0 0 376.438 0.975 10 0 GCAERN C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000512264838 1192590183 /nfs/dbraw/zinc/59/01/83/1192590183.db2.gz FKRGNEYUAINABT-HUUCEWRRSA-N 0 0 397.497 0.741 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)[C@H](C)C1 ZINC000410650031 1192790602 /nfs/dbraw/zinc/79/06/02/1192790602.db2.gz 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CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000473315529 1192862494 /nfs/dbraw/zinc/86/24/94/1192862494.db2.gz NDWAZAICCIRATR-AWEZNQCLSA-N 0 0 387.440 0.672 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C1 ZINC000473313790 1192862738 /nfs/dbraw/zinc/86/27/38/1192862738.db2.gz GPLRDRZLBJOMLJ-HNNXBMFYSA-N 0 0 389.456 0.176 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CO)c2ccccc2)c1 ZINC000473317394 1192864516 /nfs/dbraw/zinc/86/45/16/1192864516.db2.gz HBXPFYCDYIOXAS-HNNXBMFYSA-N 0 0 377.422 0.383 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000473319929 1192865702 /nfs/dbraw/zinc/86/57/02/1192865702.db2.gz YWVMOMDDYWKLBF-CYBMUJFWSA-N 0 0 396.469 0.339 10 0 GCAERN NC(=O)CCOc1ccc(NC(=O)C(=O)N[C@@H](CO)CC2CCCC2)cc1 ZINC000549735803 1192866237 /nfs/dbraw/zinc/86/62/37/1192866237.db2.gz DFALRMOMBAWFSL-OAHLLOKOSA-N 0 0 377.441 0.937 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2C)C1 ZINC000473372808 1192880283 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CC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000625417704 1185237134 /nfs/dbraw/zinc/23/71/34/1185237134.db2.gz JWZLWGOHLCJBIG-AWEZNQCLSA-N 0 0 386.437 0.884 10 0 GCAERN CC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000580462618 1185239127 /nfs/dbraw/zinc/23/91/27/1185239127.db2.gz JVUZNGLYXPWHLP-OAHLLOKOSA-N 0 0 389.500 0.692 10 0 GCAERN O=C1NC(=O)[C@]2(CCCN(S(=O)(=O)Cc3cc(-c4ccccc4)no3)C2)N1 ZINC000683953238 1185247036 /nfs/dbraw/zinc/24/70/36/1185247036.db2.gz RGHHKDVGXHRDBF-QGZVFWFLSA-N 0 0 390.421 0.845 10 0 GCAERN O=C1NC(=O)[C@@]2(CCCN(S(=O)(=O)Cc3cc(-c4ccccc4)no3)C2)N1 ZINC000683953237 1185247107 /nfs/dbraw/zinc/24/71/07/1185247107.db2.gz RGHHKDVGXHRDBF-KRWDZBQOSA-N 0 0 390.421 0.845 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000471595788 1185280368 /nfs/dbraw/zinc/28/03/68/1185280368.db2.gz VGENGLYLAJFXEP-CQSZACIVSA-N 0 0 388.428 0.664 10 0 GCAERN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000580588477 1185283320 /nfs/dbraw/zinc/28/33/20/1185283320.db2.gz LIOWHNWNURONGL-CABCVRRESA-N 0 0 391.468 0.784 10 0 GCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O ZINC000580689636 1185306881 /nfs/dbraw/zinc/30/68/81/1185306881.db2.gz JMRWZEYSLSYFEH-LLVKDONJSA-N 0 0 384.396 0.494 10 0 GCAERN O=C(c1nc(N2CCCC2)ncc1Cl)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000684076855 1185378807 /nfs/dbraw/zinc/37/88/07/1185378807.db2.gz CKNFCTSZOXJPNR-MRXNPFEDSA-N 0 0 378.820 0.544 10 0 GCAERN COC[C@@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000684091109 1185393046 /nfs/dbraw/zinc/39/30/46/1185393046.db2.gz PUFPHAQDBPXWLY-OLZOCXBDSA-N 0 0 390.433 0.334 10 0 GCAERN Cc1ccc(N2C[C@H](C(=O)N3CCN(c4cnn(C)c4)C(=O)C3)CC2=O)cc1 ZINC000177831228 1185393160 /nfs/dbraw/zinc/39/31/60/1185393160.db2.gz OMHSSFBYQOLJLD-OAHLLOKOSA-N 0 0 381.436 0.957 10 0 GCAERN COC[C@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000684091111 1185393222 /nfs/dbraw/zinc/39/32/22/1185393222.db2.gz PUFPHAQDBPXWLY-STQMWFEESA-N 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0.982 10 0 GCAERN CC(=O)N1CCc2sc(S(=O)(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@H]4C)C3)cc2C1 ZINC000656921149 1185941035 /nfs/dbraw/zinc/94/10/35/1185941035.db2.gz PCWALKGACBXDOT-LERXQTSPSA-N 0 0 397.522 0.940 10 0 GCAERN CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H](Cn4ccnn4)C3)ccc21 ZINC000657054995 1185982785 /nfs/dbraw/zinc/98/27/85/1185982785.db2.gz OESZWIYDKFQOLY-AWEZNQCLSA-N 0 0 375.454 0.898 10 0 GCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@@](C)(NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C ZINC000581918267 1185984461 /nfs/dbraw/zinc/98/44/61/1185984461.db2.gz RGNVZBXVZBXZCT-ABSDTBQOSA-N 0 0 394.516 0.655 10 0 GCAERN Cn1cc(/C=C\C(=O)NCCNC(=O)CC2CCCCC2)c(=O)n(C)c1=O ZINC000255397580 1186032336 /nfs/dbraw/zinc/03/23/36/1186032336.db2.gz HHQQGHZNGGLHRG-HJWRWDBZSA-N 0 0 376.457 0.300 10 0 GCAERN CC(=O)N1CCCc2ccc(S(=O)(=O)NC[C@@]3(OCCO)CCOC3)cc21 ZINC000657086849 1186044039 /nfs/dbraw/zinc/04/40/39/1186044039.db2.gz PBJZDYWBFYMBOV-SFHVURJKSA-N 0 0 398.481 0.432 10 0 GCAERN CCOc1ccc(-c2cn(C3CN(C(=O)CN4CCOCC4=O)C3)nn2)cc1 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/nfs/dbraw/zinc/31/20/76/1186312076.db2.gz RCGUOWGJFFQWKD-OAHLLOKOSA-N 0 0 394.545 0.914 10 0 GCAERN Cn1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c2cc(F)ccc21 ZINC000684684156 1186330599 /nfs/dbraw/zinc/33/05/99/1186330599.db2.gz OEPVDTDZXWXKLW-UHFFFAOYSA-N 0 0 382.461 0.624 10 0 GCAERN Cc1cc(NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O)n(-c2ccccc2C)n1 ZINC000536420188 1186336562 /nfs/dbraw/zinc/33/65/62/1186336562.db2.gz HUPDQMUOGQIYFA-CYBMUJFWSA-N 0 0 378.454 0.977 10 0 GCAERN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCC(=O)N2CCN(C)CC2)c1 ZINC000511040073 1186348362 /nfs/dbraw/zinc/34/83/62/1186348362.db2.gz LBCQSFFTKJEUCU-UHFFFAOYSA-N 0 0 389.456 0.497 10 0 GCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000255470428 1186358223 /nfs/dbraw/zinc/35/82/23/1186358223.db2.gz MJUGTZFRBWZTAS-RDJZCZTQSA-N 0 0 389.500 0.928 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)N[C@H](C)c2nnc(C)[nH]2)c1OC ZINC000511051849 1186363958 /nfs/dbraw/zinc/36/39/58/1186363958.db2.gz MOHHUIJEDGJVRF-MRVPVSSYSA-N 0 0 384.414 0.956 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ZINC000046512173 1186397942 /nfs/dbraw/zinc/39/79/42/1186397942.db2.gz IPQKIYPYPPCELY-UHFFFAOYSA-N 0 0 382.486 0.210 10 0 GCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)c1 ZINC000785114003 1186407001 /nfs/dbraw/zinc/40/70/01/1186407001.db2.gz FEGBUMDKPQGHPM-UHFFFAOYSA-N 0 0 381.454 0.643 10 0 GCAERN COc1c(F)cc(CC(=O)Nc2nnc(C)n2C2CC2)cc1S(N)(=O)=O ZINC000582197625 1186461863 /nfs/dbraw/zinc/46/18/63/1186461863.db2.gz OGINTZADNMENGK-UHFFFAOYSA-N 0 0 383.405 0.898 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000548716368 1186480911 /nfs/dbraw/zinc/48/09/11/1186480911.db2.gz GMPIZSBGAVKKAJ-RTBURBONSA-N 0 0 384.392 0.293 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000548716365 1186480951 /nfs/dbraw/zinc/48/09/51/1186480951.db2.gz GMPIZSBGAVKKAJ-MOPGFXCFSA-N 0 0 384.392 0.293 10 0 GCAERN Cc1cc(N2CCC[C@H](N3CCN(C(=O)CCC(C)(C)O)CC3)C2=O)n(C)n1 ZINC000582277489 1186483195 /nfs/dbraw/zinc/48/31/95/1186483195.db2.gz 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CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000277655281 1186554129 /nfs/dbraw/zinc/55/41/29/1186554129.db2.gz YQEWBOFAHQMNLC-OLZOCXBDSA-N 0 0 391.428 0.921 10 0 GCAERN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1C(N)=O ZINC000511146092 1186555315 /nfs/dbraw/zinc/55/53/15/1186555315.db2.gz PNEHKCQCFQZKGF-UHFFFAOYSA-N 0 0 377.378 0.926 10 0 GCAERN COC(=O)c1cn(C2CCN(C(=O)C(=O)Nc3ccc4nccn4c3)CC2)nn1 ZINC000582516227 1186556047 /nfs/dbraw/zinc/55/60/47/1186556047.db2.gz BFHNDOFBLWRRED-UHFFFAOYSA-N 0 0 397.395 0.515 10 0 GCAERN C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1COc2ccccc21 ZINC000152682902 1186561203 /nfs/dbraw/zinc/56/12/03/1186561203.db2.gz PIJMRYIFYMLMEF-WCQYABFASA-N 0 0 383.408 0.115 10 0 GCAERN CN1CCN(C(=O)CC2CCN(C(=O)CN3CCCCCC3=O)CC2)CC1 ZINC000066858209 1186563723 /nfs/dbraw/zinc/56/37/23/1186563723.db2.gz HEXUFZZAFAMJPQ-UHFFFAOYSA-N 0 0 378.517 0.792 10 0 GCAERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000582565015 1186568302 /nfs/dbraw/zinc/56/83/02/1186568302.db2.gz WZAHZVMHACIHRG-DKUMPPAJSA-N 0 0 383.456 0.900 10 0 GCAERN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1CCc2nccn2C1 ZINC000548751223 1186609149 /nfs/dbraw/zinc/60/91/49/1186609149.db2.gz HSXWNBAUZCRDSB-AWEZNQCLSA-N 0 0 388.472 0.999 10 0 GCAERN CC(=O)N(C)c1ccc(C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)cc1 ZINC000785149658 1186665689 /nfs/dbraw/zinc/66/56/89/1186665689.db2.gz GNDRGYRNYAOVHF-LBPRGKRZSA-N 0 0 375.425 0.952 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000468265925 1186681052 /nfs/dbraw/zinc/68/10/52/1186681052.db2.gz YMIBYWVNRXCEAL-FQEVSTJZSA-N 0 0 387.411 0.723 10 0 GCAERN CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)co1 ZINC000153422495 1186700929 /nfs/dbraw/zinc/70/09/29/1186700929.db2.gz JNPGKTGKMHQZIP-ZDUSSCGKSA-N 0 0 381.458 0.662 10 0 GCAERN O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCc2cc[nH]c(=O)c2C1 ZINC000277926777 1186708337 /nfs/dbraw/zinc/70/83/37/1186708337.db2.gz TZGFGDUWQMLSRU-KRWDZBQOSA-N 0 0 388.468 0.385 10 0 GCAERN Cc1nccnc1N1CCN(C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000685047211 1186724519 /nfs/dbraw/zinc/72/45/19/1186724519.db2.gz RMXQRFBMHFNTEX-UHFFFAOYSA-N 0 0 382.490 0.042 10 0 GCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000582937373 1186733031 /nfs/dbraw/zinc/73/30/31/1186733031.db2.gz VYQSBWMOROIEKA-UAGQMJEPSA-N 0 0 395.481 0.125 10 0 GCAERN Cn1c2[nH]c(CCC(=O)N3CCO[C@@H](c4cccs4)C3)nc2c(=O)[nH]c1=O ZINC000162029280 1186739612 /nfs/dbraw/zinc/73/96/12/1186739612.db2.gz HZVCKBKVWKSZIR-SNVBAGLBSA-N 0 0 389.437 0.544 10 0 GCAERN COc1ccc([C@H](NC(=O)C(=O)N2CC[C@@H](CCO)C2)c2nccn2C)cc1 ZINC000582978805 1186741451 /nfs/dbraw/zinc/74/14/51/1186741451.db2.gz QISVXEPHNIFBCS-YOEHRIQHSA-N 0 0 386.452 0.865 10 0 GCAERN Cc1occc1C(=O)NC1CCN(C(=O)C(=O)NCC2CCOCC2)CC1 ZINC000583097988 1186770248 /nfs/dbraw/zinc/77/02/48/1186770248.db2.gz ATNLUAALILWWCR-UHFFFAOYSA-N 0 0 377.441 0.852 10 0 GCAERN O=C(NC[C@H](O)Cn1ccnn1)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000458388392 1186773268 /nfs/dbraw/zinc/77/32/68/1186773268.db2.gz DSYWQLZZYPIGFX-STQMWFEESA-N 0 0 396.398 0.819 10 0 GCAERN NC(=O)c1cnn2c1nccc2C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000154080754 1186781868 /nfs/dbraw/zinc/78/18/68/1186781868.db2.gz CZRPSDRJIAVKOW-JTQLQIEISA-N 0 0 385.815 0.885 10 0 GCAERN Cn1cc(N2CCC[C@H](NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)C2)cn1 ZINC000154092148 1186782222 /nfs/dbraw/zinc/78/22/22/1186782222.db2.gz CCSMKNQPLZOKGV-KSSFIOAISA-N 0 0 395.467 0.625 10 0 GCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000154184382 1186785445 /nfs/dbraw/zinc/78/54/45/1186785445.db2.gz IVYRJOKYSKIGCU-AWEZNQCLSA-N 0 0 383.456 0.701 10 0 GCAERN Cn1cc(N2CCC[C@@H](NC(=O)CCCS(=O)(=O)N3CCCC3)C2)cn1 ZINC000154315762 1186788296 /nfs/dbraw/zinc/78/82/96/1186788296.db2.gz REGRFZXDKAGBLW-OAHLLOKOSA-N 0 0 383.518 0.711 10 0 GCAERN Cc1ccn(-c2ccccc2NCC(=O)NCCCN(C)S(C)(=O)=O)n1 ZINC000154362366 1186789600 /nfs/dbraw/zinc/78/96/00/1186789600.db2.gz LNIPHRADYATEAW-UHFFFAOYSA-N 0 0 379.486 0.990 10 0 GCAERN CCn1c(=O)[nH]c2cc(C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)ccc2c1=O ZINC000154385176 1186789716 /nfs/dbraw/zinc/78/97/16/1186789716.db2.gz VLGIWYXPPMSSMD-CQSZACIVSA-N 0 0 396.451 0.842 10 0 GCAERN Cn1ncc2c1nc(N1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)nc2N ZINC000278141317 1186799491 /nfs/dbraw/zinc/79/94/91/1186799491.db2.gz AQKSQUDMIZKPOA-UHFFFAOYSA-N 0 0 391.432 0.596 10 0 GCAERN O=C(NCC1(O)CCS(=O)(=O)CC1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000548790305 1186802329 /nfs/dbraw/zinc/80/23/29/1186802329.db2.gz FSQYMQIFPIPZCO-CQSZACIVSA-N 0 0 381.454 0.031 10 0 GCAERN CCn1nc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c2ccccc21 ZINC000408295993 1186809954 /nfs/dbraw/zinc/80/99/54/1186809954.db2.gz YOKBEELYWCCDQE-UHFFFAOYSA-N 0 0 393.513 0.751 10 0 GCAERN O=C(CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O)Nc1ccccc1 ZINC000583278445 1186815902 /nfs/dbraw/zinc/81/59/02/1186815902.db2.gz VLZWNAMYZQQDAM-UHFFFAOYSA-N 0 0 384.367 0.805 10 0 GCAERN NC(=O)[C@H]1CN(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)CCO1 ZINC000728561605 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1195109296 /nfs/dbraw/zinc/10/92/96/1195109296.db2.gz ZNOPZFHAQKZWHP-UHFFFAOYSA-N 0 0 376.442 0.064 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2cnc(N(C)C)nc2)c1 ZINC000517062939 1195131399 /nfs/dbraw/zinc/13/13/99/1195131399.db2.gz YOVXXVVKIQATCS-UHFFFAOYSA-N 0 0 377.426 0.662 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000517067284 1195131726 /nfs/dbraw/zinc/13/17/26/1195131726.db2.gz BZODPXMLILSDSC-KKUMJFAQSA-N 0 0 399.488 0.670 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)Cn2c(C)nc3ccccc3c2=O)CC1 ZINC000506116713 1195145728 /nfs/dbraw/zinc/14/57/28/1195145728.db2.gz AWFDQALNJFGEAL-UHFFFAOYSA-N 0 0 386.452 0.801 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)c3coc(S(N)(=O)=O)c3)c2)n1 ZINC000506136423 1195162471 /nfs/dbraw/zinc/16/24/71/1195162471.db2.gz RVJDTQLYSMXKGU-UHFFFAOYSA-N 0 0 376.398 0.826 10 0 GCAERN Cc1cc(N2CCC[C@H](N3CCN(C(=O)C[C@H]4CCOC4)CC3)C2=O)n(C)n1 ZINC000517467066 1195184890 /nfs/dbraw/zinc/18/48/90/1195184890.db2.gz XSLZTJTVKWDDTF-SJORKVTESA-N 0 0 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COC(=O)C[C@@H](NC(=O)C(=O)Nc1ncn(C(C)(C)C)n1)c1ccc(F)cc1 ZINC000438785535 1195248990 /nfs/dbraw/zinc/24/89/90/1195248990.db2.gz WBYCRAXCFRJXPV-CYBMUJFWSA-N 0 0 391.403 1.531 10 0 GCAERN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N(C)Cc1cnccn1 ZINC000438788925 1195249665 /nfs/dbraw/zinc/24/96/65/1195249665.db2.gz ZSGBLTBCHWVCHR-UHFFFAOYSA-N 0 0 388.380 0.878 10 0 GCAERN CCC(=O)N[C@H]1CCCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000509557619 1195257139 /nfs/dbraw/zinc/25/71/39/1195257139.db2.gz GPGKMJASRLUFLV-LBPRGKRZSA-N 0 0 393.469 0.358 10 0 GCAERN CCN(CCOCCO)C(=O)C(=O)Nc1cc(-c2cccc(OC)c2)nn1C ZINC000506405798 1195259078 /nfs/dbraw/zinc/25/90/78/1195259078.db2.gz GOARLMWQOXSXBA-UHFFFAOYSA-N 0 0 390.440 0.892 10 0 GCAERN O=C(COCC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)NCc1cccnc1 ZINC000518209507 1195267652 /nfs/dbraw/zinc/26/76/52/1195267652.db2.gz VMNRMNYZDWDJSG-GOSISDBHSA-N 0 0 396.447 0.804 10 0 GCAERN COCCn1cc(S(=O)(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cn1 ZINC000439004762 1195275687 /nfs/dbraw/zinc/27/56/87/1195275687.db2.gz USPARLUZUYCEKP-UHFFFAOYSA-N 0 0 398.407 0.751 10 0 GCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000439016049 1195277980 /nfs/dbraw/zinc/27/79/80/1195277980.db2.gz WKTXDWSLEFLYIA-UHFFFAOYSA-N 0 0 395.423 0.916 10 0 GCAERN CC[C@@H](NC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)C(=O)N1CCOCC1 ZINC000439052492 1195281765 /nfs/dbraw/zinc/28/17/65/1195281765.db2.gz DIYYMRWSGMCQFM-QGZVFWFLSA-N 0 0 390.440 0.971 10 0 GCAERN COc1cccc(-c2cc(NC(=O)C(=O)N[C@@H](C)C(=O)NCCF)n(C)n2)c1 ZINC000506489436 1195287305 /nfs/dbraw/zinc/28/73/05/1195287305.db2.gz UTJDEUDFJFMFCS-NSHDSACASA-N 0 0 391.403 0.625 10 0 GCAERN CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)OC)CC1 ZINC000518503715 1195296810 /nfs/dbraw/zinc/29/68/10/1195296810.db2.gz BAUQTAWBAAOKBO-HUUCEWRRSA-N 0 0 389.518 0.791 10 0 GCAERN CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)C(=O)NCC(=O)NCCO ZINC000439245371 1195300986 /nfs/dbraw/zinc/30/09/86/1195300986.db2.gz AJPCWYVMUKJEQW-UHFFFAOYSA-N 0 0 387.440 0.369 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCCn2cccc2)CC1 ZINC000439400708 1195317967 /nfs/dbraw/zinc/31/79/67/1195317967.db2.gz ZSZXMLMAYXJBBY-UHFFFAOYSA-N 0 0 391.497 0.928 10 0 GCAERN Cc1cc(C(=O)NCC2(OCCO)CCOCC2)nn1-c1nc(C)cc(C)n1 ZINC000506590022 1195326391 /nfs/dbraw/zinc/32/63/91/1195326391.db2.gz XNEYZQWEFJATOZ-UHFFFAOYSA-N 0 0 389.456 0.875 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2CCC[C@H](O)C2)CC1 ZINC000439527633 1195327929 /nfs/dbraw/zinc/32/79/29/1195327929.db2.gz SAKBBQKJMDAXCC-CABCVRRESA-N 0 0 381.498 0.794 10 0 GCAERN Cn1c(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc2c1n(C)c(=O)n(C)c2=O ZINC000518866618 1195340391 /nfs/dbraw/zinc/34/03/91/1195340391.db2.gz KRQPMELENFGXBI-AWEZNQCLSA-N 0 0 395.419 0.111 10 0 GCAERN O=C(NCCNC(=O)c1ccc(O)cc1)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439741620 1195347181 /nfs/dbraw/zinc/34/71/81/1195347181.db2.gz DQDKKLKWEDDHMH-UHFFFAOYSA-N 0 0 396.403 0.614 10 0 GCAERN C[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000518950813 1195349371 /nfs/dbraw/zinc/34/93/71/1195349371.db2.gz ABIZKINCLRPXBK-IRXDYDNUSA-N 0 0 394.516 0.074 10 0 GCAERN O=C(NCc1nc(C(F)(F)F)n[nH]1)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439838466 1195357119 /nfs/dbraw/zinc/35/71/19/1195357119.db2.gz CEIDUPYWIOMZOK-UHFFFAOYSA-N 0 0 382.302 0.815 10 0 GCAERN CCN(C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000439863609 1195361294 /nfs/dbraw/zinc/36/12/94/1195361294.db2.gz PGHMTJHAMCHELW-AWEZNQCLSA-N 0 0 379.438 0.397 10 0 GCAERN COC[C@@H]1CN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)C[C@@H](C)O1 ZINC000439940277 1195366903 /nfs/dbraw/zinc/36/69/03/1195366903.db2.gz HMQRFPGQIYUAJY-HYVNUMGLSA-N 0 0 397.516 0.969 10 0 GCAERN COC[C@H]1CN(C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000439946718 1195367316 /nfs/dbraw/zinc/36/73/16/1195367316.db2.gz VBBWBVSJLDOONV-CMPLNLGQSA-N 0 0 390.433 0.287 10 0 GCAERN COC(=O)Cn1ncc(NC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)c1C ZINC000440014546 1195374465 /nfs/dbraw/zinc/37/44/65/1195374465.db2.gz RNZOWBIKQKYCIK-UHFFFAOYSA-N 0 0 385.380 0.678 10 0 GCAERN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N1CC[C@H](CO)[C@H]1C ZINC000440030866 1195376144 /nfs/dbraw/zinc/37/61/44/1195376144.db2.gz BVJRPYIHTXFAMD-CKEIUWERSA-N 0 0 389.452 0.772 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000519375095 1195396860 /nfs/dbraw/zinc/39/68/60/1195396860.db2.gz GZFRSECAVZINFJ-UHFFFAOYSA-N 0 0 398.872 0.571 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@]2(CCO)CCOC2)c1 ZINC000519487008 1195414564 /nfs/dbraw/zinc/41/45/64/1195414564.db2.gz LHSXVUVIGJJYFT-QGZVFWFLSA-N 0 0 384.454 0.073 10 0 GCAERN CC[C@@H](OC)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506843661 1195416544 /nfs/dbraw/zinc/41/65/44/1195416544.db2.gz XKXNNGSMNVEVIN-JKSUJKDBSA-N 0 0 377.489 0.793 10 0 GCAERN Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)NCCn2ccnc2)CC1 ZINC000550081721 1195431428 /nfs/dbraw/zinc/43/14/28/1195431428.db2.gz FGMCMVXXFOCSOI-UHFFFAOYSA-N 0 0 383.452 0.221 10 0 GCAERN Cn1ncc2c1ncn(CC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)c2=O ZINC000048957413 1195434084 /nfs/dbraw/zinc/43/40/84/1195434084.db2.gz DXZMSRAYLRDJTE-INIZCTEOSA-N 0 0 394.435 0.610 10 0 GCAERN Cc1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1NS(C)(=O)=O ZINC000473681164 1195439766 /nfs/dbraw/zinc/43/97/66/1195439766.db2.gz IZBSVBNLIPJKAP-ZDUSSCGKSA-N 0 0 384.458 0.471 10 0 GCAERN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)C(=O)N[C@H]1CNC(=O)C1 ZINC000440457631 1195440321 /nfs/dbraw/zinc/44/03/21/1195440321.db2.gz FOMREPILVPPKJV-SNVBAGLBSA-N 0 0 381.314 0.834 10 0 GCAERN O=C(Nc1cccn(CC(F)(F)F)c1=O)N[C@@H]1CCCN(CCO)C1=O ZINC000473707800 1195447132 /nfs/dbraw/zinc/44/71/32/1195447132.db2.gz XECXWPOHJLNGMR-SNVBAGLBSA-N 0 0 376.335 0.515 10 0 GCAERN CCNC(=O)N1CCc2ccc(NC(=O)N[C@@H]3CCCN(CCO)C3=O)cc21 ZINC000473715589 1195448687 /nfs/dbraw/zinc/44/86/87/1195448687.db2.gz RWNSSGMLAQQFJX-OAHLLOKOSA-N 0 0 389.456 0.883 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000550185740 1195457605 /nfs/dbraw/zinc/45/76/05/1195457605.db2.gz WTUHIEPCJVRNNU-UHFFFAOYSA-N 0 0 383.387 0.228 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)N[C@H](CC(N)=O)C2CCOCC2)c1 ZINC000473758488 1195457714 /nfs/dbraw/zinc/45/77/14/1195457714.db2.gz BJYQEFKMNXRYEJ-CQSZACIVSA-N 0 0 384.458 0.387 10 0 GCAERN O=C(Nc1ccccc1CN1CCNC1=O)N[C@@H]1CCCN(CCO)C1=O ZINC000473768632 1195458091 /nfs/dbraw/zinc/45/80/91/1195458091.db2.gz YDIMBAJXESCZJC-OAHLLOKOSA-N 0 0 375.429 0.317 10 0 GCAERN CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)NCc2nnc3ccccn32)C1 ZINC000550195246 1195458642 /nfs/dbraw/zinc/45/86/42/1195458642.db2.gz PKAVMCVADZWNGM-CQSZACIVSA-N 0 0 386.456 0.356 10 0 GCAERN Cc1csc(CNC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)n1 ZINC000550207532 1195460965 /nfs/dbraw/zinc/46/09/65/1195460965.db2.gz IZZCIENWHZICHJ-UHFFFAOYSA-N 0 0 375.454 0.616 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(CCO)CCCCC2)c1 ZINC000440469381 1195464708 /nfs/dbraw/zinc/46/47/08/1195464708.db2.gz YDPPMEOVJNETHX-UHFFFAOYSA-N 0 0 397.497 0.982 10 0 GCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)C1 ZINC000550238822 1195466688 /nfs/dbraw/zinc/46/66/88/1195466688.db2.gz DBPJLHVHIPTIFF-XHSDSOJGSA-N 0 0 379.457 0.761 10 0 GCAERN COc1ccc([C@H](NC(=O)C(=O)NCCn2cccn2)c2nccn2C)cc1 ZINC000550242261 1195468374 /nfs/dbraw/zinc/46/83/74/1195468374.db2.gz RIGQOJVFAKCJDP-INIZCTEOSA-N 0 0 382.424 0.647 10 0 GCAERN Cc1noc(CN2CCN(S(=O)(=O)c3cccc4c3OCCO4)CC2)n1 ZINC000507478061 1195525049 /nfs/dbraw/zinc/52/50/49/1195525049.db2.gz BSHRVHCWKZXLLS-UHFFFAOYSA-N 0 0 380.426 0.656 10 0 GCAERN CN(CCOCCO)C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000507478101 1195525123 /nfs/dbraw/zinc/52/51/23/1195525123.db2.gz PMGJWEBYMOODFC-UHFFFAOYSA-N 0 0 399.513 0.763 10 0 GCAERN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CCN(C(C)=O)C[C@@H]3C)cc21 ZINC000440563939 1195562425 /nfs/dbraw/zinc/56/24/25/1195562425.db2.gz IDXKWEDAUDQJGF-ZDUSSCGKSA-N 0 0 399.451 0.405 10 0 GCAERN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000519665566 1195563095 /nfs/dbraw/zinc/56/30/95/1195563095.db2.gz VHKOEEPGUVOEHE-HNNXBMFYSA-N 0 0 392.427 0.951 10 0 GCAERN CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)cc1 ZINC000440582981 1195564038 /nfs/dbraw/zinc/56/40/38/1195564038.db2.gz QOHVBFIJGZDPHY-ZDUSSCGKSA-N 0 0 390.440 0.219 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)[C@H](C)C1 ZINC000440584217 1195566236 /nfs/dbraw/zinc/56/62/36/1195566236.db2.gz VPHGLTHUKGLOLM-CYBMUJFWSA-N 0 0 385.424 0.904 10 0 GCAERN COc1c(F)cc(CC(=O)NC[C@@H](C)Cn2ccnc2)cc1S(N)(=O)=O ZINC000473885819 1195571028 /nfs/dbraw/zinc/57/10/28/1195571028.db2.gz KZUPUKIBDJLVOM-LLVKDONJSA-N 0 0 384.433 0.673 10 0 GCAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000519798555 1195573707 /nfs/dbraw/zinc/57/37/07/1195573707.db2.gz HHIOASZXFNARCS-CHWSQXEVSA-N 0 0 394.453 0.433 10 0 GCAERN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000519798568 1195573799 /nfs/dbraw/zinc/57/37/99/1195573799.db2.gz HHIOASZXFNARCS-STQMWFEESA-N 0 0 394.453 0.433 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CC4)CC2)[nH]1 ZINC000440746632 1195580256 /nfs/dbraw/zinc/58/02/56/1195580256.db2.gz KFXINVPXWLOEIW-UHFFFAOYSA-N 0 0 397.439 0.281 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc(N(C)C)cc3C)CC2)[nH]1 ZINC000440753181 1195580299 /nfs/dbraw/zinc/58/02/99/1195580299.db2.gz HBOQVYLZWIQUKW-UHFFFAOYSA-N 0 0 385.472 0.770 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc4nccnc4c3)CC2)[nH]1 ZINC000440749880 1195580326 /nfs/dbraw/zinc/58/03/26/1195580326.db2.gz ILJXIUNONLSVRJ-UHFFFAOYSA-N 0 0 380.412 0.339 10 0 GCAERN CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000440748938 1195580373 /nfs/dbraw/zinc/58/03/73/1195580373.db2.gz FXZFVDWJLRIXSD-UHFFFAOYSA-N 0 0 390.419 0.934 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cnn([C@H](C)C4CC4)c3)CC2)[nH]1 ZINC000440750156 1195580519 /nfs/dbraw/zinc/58/05/19/1195580519.db2.gz SUXWBSVKHKIQQJ-GFCCVEGCSA-N 0 0 386.460 0.564 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccn(CCC(C)C)n3)CC2)[nH]1 ZINC000440753910 1195581069 /nfs/dbraw/zinc/58/10/69/1195581069.db2.gz AYTOESYPDHVHFW-UHFFFAOYSA-N 0 0 388.476 0.639 10 0 GCAERN COc1cc(C)c(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)cc1F ZINC000440759225 1195582018 /nfs/dbraw/zinc/58/20/18/1195582018.db2.gz SQNQJRFTQLIKGN-UHFFFAOYSA-N 0 0 390.419 0.852 10 0 GCAERN CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)c1 ZINC000440764619 1195582085 /nfs/dbraw/zinc/58/20/85/1195582085.db2.gz UJHPYDVCKMPIAR-UHFFFAOYSA-N 0 0 385.428 0.354 10 0 GCAERN CC(=O)N1CCCc2cc(NC(=O)C(=O)N3CCN4C(=O)N=NC4C3)ccc21 ZINC000440783396 1195583136 /nfs/dbraw/zinc/58/31/36/1195583136.db2.gz FHRXTPMLOVISEY-UHFFFAOYSA-N 0 0 384.396 0.264 10 0 GCAERN CCO[C@@H]1C[C@](NC(=O)CCCN2C(=O)CN(C)C2=O)(C(=O)OC)C1(C)C ZINC000440862074 1195585956 /nfs/dbraw/zinc/58/59/56/1195585956.db2.gz UCILUXQVKSYVEH-XIKOKIGWSA-N 0 0 383.445 0.524 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2cccs2)n1 ZINC000441006798 1195596408 /nfs/dbraw/zinc/59/64/08/1195596408.db2.gz BPLSQCGPGSHBSY-LLVKDONJSA-N 0 0 376.442 0.733 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2nccnc2C)CC1 ZINC000441108807 1195603772 /nfs/dbraw/zinc/60/37/72/1195603772.db2.gz FJNTUXZPZIYMHJ-KBPBESRZSA-N 0 0 392.460 0.073 10 0 GCAERN COc1cccc(-c2cc(NC(=O)C(=O)N[C@@H]3CC[S@](=O)C3)n(C)n2)c1 ZINC000441225359 1195614498 /nfs/dbraw/zinc/61/44/98/1195614498.db2.gz FMJWYFRXULKQCH-RYZVSIALSA-N 0 0 376.438 0.671 10 0 GCAERN COc1cccc(CCNC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)n1 ZINC000441244646 1195616757 /nfs/dbraw/zinc/61/67/57/1195616757.db2.gz KPCQHZWERZBRFP-UHFFFAOYSA-N 0 0 384.440 0.658 10 0 GCAERN CCc1nc(C(C)(C)NCC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)no1 ZINC000441280701 1195619236 /nfs/dbraw/zinc/61/92/36/1195619236.db2.gz SQTRPABCHPFXKV-GFCCVEGCSA-N 0 0 388.490 0.119 10 0 GCAERN O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)c1ccc2c(c1)CCC2 ZINC000520317702 1195620771 /nfs/dbraw/zinc/62/07/71/1195620771.db2.gz IRRZMCVUFIHGDI-QGZVFWFLSA-N 0 0 394.493 0.963 10 0 GCAERN CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)N3CC(n4ccnn4)C3)ccc21 ZINC000441296178 1195621029 /nfs/dbraw/zinc/62/10/29/1195621029.db2.gz NDCUPMBKTDRNNH-UHFFFAOYSA-N 0 0 396.407 0.818 10 0 GCAERN CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC ZINC000441352894 1195625297 /nfs/dbraw/zinc/62/52/97/1195625297.db2.gz FVIXDFMTNUEWEG-LJQANCHMSA-N 0 0 391.424 0.355 10 0 GCAERN Cc1nccc(N2CCN(C(=O)C(=O)N[C@H]3CCc4nc(C)ncc4C3)CC2)n1 ZINC000550333970 1195635315 /nfs/dbraw/zinc/63/53/15/1195635315.db2.gz IJKSKCONNFIDJJ-INIZCTEOSA-N 0 0 395.467 0.206 10 0 GCAERN C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)C[C@H](C)O1 ZINC000328746375 1195663011 /nfs/dbraw/zinc/66/30/11/1195663011.db2.gz PTIAVXVFLAVNGT-XHSDSOJGSA-N 0 0 397.497 0.610 10 0 GCAERN O=C(CN1CCCC[C@H]1C(=O)N1CCOCC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000328887198 1195673831 /nfs/dbraw/zinc/67/38/31/1195673831.db2.gz OLTUVCHYMYCKFT-FGTMMUONSA-N 0 0 379.501 0.870 10 0 GCAERN Cc1c(C(=O)N2CCS(=O)(=O)[C@H](C)C2)cnn1CCO[C@@H]1CCCCO1 ZINC000328894408 1195675334 /nfs/dbraw/zinc/67/53/34/1195675334.db2.gz VQLXZMJPQQDZOJ-CZUORRHYSA-N 0 0 385.486 0.994 10 0 GCAERN Cc1c(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cnn1CCO[C@H]1CCCCO1 ZINC000328894406 1195675415 /nfs/dbraw/zinc/67/54/15/1195675415.db2.gz VQLXZMJPQQDZOJ-BBRMVZONSA-N 0 0 385.486 0.994 10 0 GCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000328906032 1195678822 /nfs/dbraw/zinc/67/88/22/1195678822.db2.gz KKXWOKGYYMWJSZ-CYBMUJFWSA-N 0 0 389.485 0.393 10 0 GCAERN CC(=O)N1CCN(Cc2ccccc2NC(=O)CS(=O)(=O)N(C)C)CC1 ZINC000331281657 1195725210 /nfs/dbraw/zinc/72/52/10/1195725210.db2.gz LCSRBEAZMMGHQF-UHFFFAOYSA-N 0 0 382.486 0.181 10 0 GCAERN CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N3CC(CCO)C3)c2)CC1 ZINC000442019547 1195752210 /nfs/dbraw/zinc/75/22/10/1195752210.db2.gz CSTIGHAPMKHURL-UHFFFAOYSA-N 0 0 388.468 0.130 10 0 GCAERN CC(=O)NCCNC(=O)CCC(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000441476204 1195752823 /nfs/dbraw/zinc/75/28/23/1195752823.db2.gz JTOCYWGKQFYDBM-UHFFFAOYSA-N 0 0 377.367 0.430 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)n(-c2ccc(F)cc2)n1 ZINC000190030516 1195755822 /nfs/dbraw/zinc/75/58/22/1195755822.db2.gz IGZQDOICFBNIMG-AWEZNQCLSA-N 0 0 389.431 0.783 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CCN1CCO ZINC000190038967 1195755957 /nfs/dbraw/zinc/75/59/57/1195755957.db2.gz XTYBZOHRNYFFOA-CYBMUJFWSA-N 0 0 391.859 0.989 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CCN1CCO ZINC000190027638 1195755981 /nfs/dbraw/zinc/75/59/81/1195755981.db2.gz DEKVXRDERYAZOR-CYBMUJFWSA-N 0 0 391.859 0.989 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2-n2cccn2)CCN1CCO ZINC000190036895 1195756076 /nfs/dbraw/zinc/75/60/76/1195756076.db2.gz PJVVOZFFRQZKTN-CYBMUJFWSA-N 0 0 391.859 0.989 10 0 GCAERN Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N3CCN(CCO)[C@@H](C)C3)c2)n1 ZINC000190045520 1195756425 /nfs/dbraw/zinc/75/64/25/1195756425.db2.gz RQDWJHILQOBXHO-INIZCTEOSA-N 0 0 385.468 0.953 10 0 GCAERN CNC(=O)C[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000459070063 1195763423 /nfs/dbraw/zinc/76/34/23/1195763423.db2.gz OCJCCFXFZBVEIP-LBPRGKRZSA-N 0 0 380.470 0.297 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(OC)ccc1OC ZINC000487392088 1195766372 /nfs/dbraw/zinc/76/63/72/1195766372.db2.gz HRXJQECIBHIXIC-WDEREUQCSA-N 0 0 388.442 0.438 10 0 GCAERN C[C@@H](N1CCN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)CC1)C(F)(F)F ZINC000181355874 1195775235 /nfs/dbraw/zinc/77/52/35/1195775235.db2.gz WFDFEKPCLHIWEH-LLVKDONJSA-N 0 0 396.435 0.984 10 0 GCAERN O=C(C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)N1CCC12CCC2 ZINC000441526093 1195778023 /nfs/dbraw/zinc/77/80/23/1195778023.db2.gz PIMICILCTDDHLY-QGZVFWFLSA-N 0 0 399.447 0.794 10 0 GCAERN COC(=O)c1cc(NC(=O)C(=O)N2CCC23CCC3)cc(S(C)(=O)=O)c1 ZINC000441525268 1195778327 /nfs/dbraw/zinc/77/83/27/1195778327.db2.gz YNMUVPVGVGVKMX-UHFFFAOYSA-N 0 0 380.422 0.970 10 0 GCAERN Cc1ccccc1C[C@@H](CO)NC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000466965910 1195780432 /nfs/dbraw/zinc/78/04/32/1195780432.db2.gz WVEQPJCAJSZCBC-WMZOPIPTSA-N 0 0 375.469 0.978 10 0 GCAERN COC(=O)Cc1csc(NC(=O)N2CCN(C(C)(C)C(=O)OC)CC2)n1 ZINC000614595410 1195791110 /nfs/dbraw/zinc/79/11/10/1195791110.db2.gz FHVQAAAZQMTZMZ-UHFFFAOYSA-N 0 0 384.458 0.960 10 0 GCAERN CN1CCN(c2ccc(-c3noc(CCN4CCCS4(=O)=O)n3)cn2)CC1 ZINC000546313257 1195792214 /nfs/dbraw/zinc/79/22/14/1195792214.db2.gz XWGSPNKJJRPDHX-UHFFFAOYSA-N 0 0 392.485 0.461 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2nc(-c3ccccn3)n[nH]2)CC12COC2 ZINC000459123513 1195809854 /nfs/dbraw/zinc/80/98/54/1195809854.db2.gz VAUGJMPOBMKYNO-GFCCVEGCSA-N 0 0 386.412 0.588 10 0 GCAERN CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)cc1 ZINC000441676809 1195816675 /nfs/dbraw/zinc/81/66/75/1195816675.db2.gz YWGDDCHOEBCVPZ-UHFFFAOYSA-N 0 0 390.440 0.081 10 0 GCAERN COC[C@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@@H]1CCCO1 ZINC000579548677 1195816741 /nfs/dbraw/zinc/81/67/41/1195816741.db2.gz PPIBQEPAIPYRGT-IRXDYDNUSA-N 0 0 377.441 0.772 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc3nccnc3c2)CC1 ZINC000441692595 1195820431 /nfs/dbraw/zinc/82/04/31/1195820431.db2.gz SZUAGQBTEYVUJY-UHFFFAOYSA-N 0 0 385.424 0.664 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)CC1 ZINC000614649475 1195822836 /nfs/dbraw/zinc/82/28/36/1195822836.db2.gz RFOAVTNDQOBXFO-UHFFFAOYSA-N 0 0 383.470 0.352 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NC[C@@H]2CC[C@@H](C)O2)CC1 ZINC000459166200 1195837234 /nfs/dbraw/zinc/83/72/34/1195837234.db2.gz MPGGUHKKTPELMH-CABCVRRESA-N 0 0 396.513 0.994 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)N3CCC[C@H](S(N)(=O)=O)C3)c2)n1 ZINC000441768468 1195842355 /nfs/dbraw/zinc/84/23/55/1195842355.db2.gz UQGJZTKVODNHOT-AWEZNQCLSA-N 0 0 393.473 0.618 10 0 GCAERN CCOC(=O)[C@](C)(O)CNC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000441765910 1195843169 /nfs/dbraw/zinc/84/31/69/1195843169.db2.gz MJKIJJGZUCFPLU-QGZVFWFLSA-N 0 0 376.417 0.769 10 0 GCAERN COCCn1cc(NC(=O)C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)cn1 ZINC000441795830 1195850847 /nfs/dbraw/zinc/85/08/47/1195850847.db2.gz QEJWKPCBBDYDER-UHFFFAOYSA-N 0 0 388.350 0.879 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CC)cc1 ZINC000487404579 1195866739 /nfs/dbraw/zinc/86/67/39/1195866739.db2.gz UQSHJHFTRWUUHT-NEPJUHHUSA-N 0 0 399.469 0.770 10 0 GCAERN NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CC3(CC3)c3ccccc32)o1 ZINC000469694620 1195890297 /nfs/dbraw/zinc/89/02/97/1195890297.db2.gz QYEYMRYVLKGMOV-UHFFFAOYSA-N 0 0 375.406 0.735 10 0 GCAERN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)N[C@@H]4CCOC4)CC3)C2=O)n(C)n1 ZINC000508271801 1195914988 /nfs/dbraw/zinc/91/49/88/1195914988.db2.gz FCHFIHAMEXMBNI-HZPDHXFCSA-N 0 0 390.488 0.340 10 0 GCAERN NS(=O)(=O)c1cccc2c1ccnc2C(=O)NCc1nnc2ccccn21 ZINC000508295829 1195916578 /nfs/dbraw/zinc/91/65/78/1195916578.db2.gz MEEZNAYGZUUNIM-UHFFFAOYSA-N 0 0 382.405 0.855 10 0 GCAERN COC(=O)Cn1cc(S(=O)(=O)N(C)Cc2cn(C)nc2C(F)(F)F)cn1 ZINC000441890130 1195929298 /nfs/dbraw/zinc/92/92/98/1195929298.db2.gz NZDWSMSFRYATGX-UHFFFAOYSA-N 0 0 395.363 0.629 10 0 GCAERN COCCCNC(=O)CN(C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000441999425 1195937949 /nfs/dbraw/zinc/93/79/49/1195937949.db2.gz IKOJKGZHKDMHKP-UHFFFAOYSA-N 0 0 389.449 0.252 10 0 GCAERN CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1cc(-c2cccc(OC)c2)nn1C ZINC000442021242 1195943464 /nfs/dbraw/zinc/94/34/64/1195943464.db2.gz ABPGOSQZWGETII-LBPRGKRZSA-N 0 0 387.440 0.875 10 0 GCAERN CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCSC[C@@H]3CCO)ccc21 ZINC000442056754 1195947048 /nfs/dbraw/zinc/94/70/48/1195947048.db2.gz LMDWOOIOSBCYSS-HNNXBMFYSA-N 0 0 377.466 0.861 10 0 GCAERN O=C(Nc1ccccc1CN1CCNC1=O)C(=O)N1CCSC[C@H]1CCO ZINC000442045260 1195948553 /nfs/dbraw/zinc/94/85/53/1195948553.db2.gz COFPMKRGCXYZOP-CQSZACIVSA-N 0 0 392.481 0.477 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)OC)c1 ZINC000442048055 1195948948 /nfs/dbraw/zinc/94/89/48/1195948948.db2.gz ZDWGZNHSDNBUIF-LBPRGKRZSA-N 0 0 399.469 0.485 10 0 GCAERN CN1CCc2ccc(NC(=O)C(=O)N3CCSC[C@H]3CCO)cc2C1=O ZINC000442084272 1195950684 /nfs/dbraw/zinc/95/06/84/1195950684.db2.gz QYYYTIDSGIOLGA-CQSZACIVSA-N 0 0 377.466 0.580 10 0 GCAERN Cc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1-n1cnnn1 ZINC000442085415 1195950787 /nfs/dbraw/zinc/95/07/87/1195950787.db2.gz VSRYPENNPOSNRR-ZDUSSCGKSA-N 0 0 376.442 0.236 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000442087367 1195950871 /nfs/dbraw/zinc/95/08/71/1195950871.db2.gz VNQOFGNMYPAMSB-AWEZNQCLSA-N 0 0 390.484 0.911 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000487415751 1195952945 /nfs/dbraw/zinc/95/29/45/1195952945.db2.gz WBAGSKOPZKWHKQ-UTUOFQBUSA-N 0 0 384.454 0.745 10 0 GCAERN CN1C(=O)c2ccc(NC(=O)C(=O)N3CCSC[C@@H]3CCO)cc2C1=O ZINC000442100844 1195953039 /nfs/dbraw/zinc/95/30/39/1195953039.db2.gz WRYJRLLUKMNICB-NSHDSACASA-N 0 0 377.422 0.177 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)n(-c2ncccn2)n1 ZINC000442102654 1195953214 /nfs/dbraw/zinc/95/32/14/1195953214.db2.gz MGJWVHIWRSRNNT-LBPRGKRZSA-N 0 0 376.442 0.236 10 0 GCAERN O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)C(=O)Nc1cccc2c1OCCC2 ZINC000442115010 1195954748 /nfs/dbraw/zinc/95/47/48/1195954748.db2.gz PPAWLAUWQLRLCC-BLVKFPJESA-N 0 0 386.408 0.445 10 0 GCAERN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)c1 ZINC000442114052 1195954784 /nfs/dbraw/zinc/95/47/84/1195954784.db2.gz YAIXXIWJLZUATQ-WFASDCNBSA-N 0 0 395.481 0.925 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NC[C@H](C)COC)CC1 ZINC000508383946 1195959877 /nfs/dbraw/zinc/95/98/77/1195959877.db2.gz FITKWQSHQKLAMW-AWEZNQCLSA-N 0 0 384.502 0.709 10 0 GCAERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000442192747 1195962688 /nfs/dbraw/zinc/96/26/88/1195962688.db2.gz WCGGENTYBBBXMQ-UHFFFAOYSA-N 0 0 394.379 0.332 10 0 GCAERN CN(C(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H]1CCNC1=O ZINC000442253092 1195966069 /nfs/dbraw/zinc/96/60/69/1195966069.db2.gz NFMKUDPMHXGYEC-HNNXBMFYSA-N 0 0 396.451 0.957 10 0 GCAERN CC(C)Oc1c(F)cc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1F ZINC000442264110 1195967642 /nfs/dbraw/zinc/96/76/42/1195967642.db2.gz HQSFZGXJOFKZMU-AWEZNQCLSA-N 0 0 399.394 0.790 10 0 GCAERN CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000442264262 1195967750 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0 GCAERN O=C(Nc1cccc(OC(F)(F)F)c1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442294309 1195973185 /nfs/dbraw/zinc/97/31/85/1195973185.db2.gz POZVWGKLQDUKEM-GFCCVEGCSA-N 0 0 389.330 0.623 10 0 GCAERN Cc1ccccc1-n1nccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442297371 1195974258 /nfs/dbraw/zinc/97/42/58/1195974258.db2.gz OMEBPNMERWVYND-AWEZNQCLSA-N 0 0 385.424 0.219 10 0 GCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c2cccnc2c1C ZINC000442304501 1195975436 /nfs/dbraw/zinc/97/54/36/1195975436.db2.gz YQSRWDALPPBXML-OAHLLOKOSA-N 0 0 384.436 0.890 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)OC(C)C)c1 ZINC000442400367 1195982545 /nfs/dbraw/zinc/98/25/45/1195982545.db2.gz HXSPIFORMYDPBW-LLVKDONJSA-N 0 0 385.442 0.237 10 0 GCAERN Cc1nc(CN(C)C(=O)C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)no1 ZINC000442415804 1195983103 /nfs/dbraw/zinc/98/31/03/1195983103.db2.gz GFOSHIGBFZQECG-UHFFFAOYSA-N 0 0 389.412 0.751 10 0 GCAERN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N(C)Cc1noc(C)n1 ZINC000442423612 1195984791 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GCAERN CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000442740107 1196000146 /nfs/dbraw/zinc/00/01/46/1196000146.db2.gz DSCZVQSKAXHMNR-CQSZACIVSA-N 0 0 380.474 0.846 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000521682710 1196009916 /nfs/dbraw/zinc/00/99/16/1196009916.db2.gz IUXFMSNUNPVAME-CYBMUJFWSA-N 0 0 390.440 0.856 10 0 GCAERN Cc1nnc(CN2CCN(S(=O)(=O)c3cccc4c3OCCO4)CC2)[nH]1 ZINC000521674172 1196011095 /nfs/dbraw/zinc/01/10/95/1196011095.db2.gz AGDUNJOKBAAAEA-UHFFFAOYSA-N 0 0 379.442 0.391 10 0 GCAERN COc1cccc(C[C@H](O)C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)c1 ZINC000442977758 1196012905 /nfs/dbraw/zinc/01/29/05/1196012905.db2.gz WEQWSSJSILUSBO-KRWDZBQOSA-N 0 0 385.468 0.803 10 0 GCAERN COc1cccc(C[C@@H](O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 ZINC000442960256 1196013425 /nfs/dbraw/zinc/01/34/25/1196013425.db2.gz BVNYJSBAGQGXRA-LJQANCHMSA-N 0 0 389.496 0.659 10 0 GCAERN CC[C@H]1CN(S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)C[C@]2(CCOC2)O1 ZINC000521722080 1196013713 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10 0 GCAERN CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N(C)CCCO)c1 ZINC000443271029 1196033528 /nfs/dbraw/zinc/03/35/28/1196033528.db2.gz KSDFIPNZIHCDEV-UHFFFAOYSA-N 0 0 385.486 0.853 10 0 GCAERN CCN1c2ccc(NC(=O)C(=O)NCC3([S@@](C)=O)CC3)cc2CCC1=O ZINC000443269910 1196033618 /nfs/dbraw/zinc/03/36/18/1196033618.db2.gz YALODEBGVQQXNC-AREMUKBSSA-N 0 0 377.466 0.952 10 0 GCAERN CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(OCCN2CCNC2=O)cc1C ZINC000443288350 1196033944 /nfs/dbraw/zinc/03/39/44/1196033944.db2.gz YCAWPAAISSUVDV-LJQANCHMSA-N 0 0 392.456 0.615 10 0 GCAERN CN(CCCO)C(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000443327348 1196039831 /nfs/dbraw/zinc/03/98/31/1196039831.db2.gz NCCGCYPEJFHCOP-UHFFFAOYSA-N 0 0 383.408 0.324 10 0 GCAERN CN(CCCO)C(=O)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000443348736 1196040134 /nfs/dbraw/zinc/04/01/34/1196040134.db2.gz VXIBICYRWMCMBL-UHFFFAOYSA-N 0 0 389.408 0.685 10 0 GCAERN O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H](CO)c3ccccc3)cc2[nH]c1=O ZINC000443347031 1196040155 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GCAERN COc1c(F)cc(CC(=O)NCCCc2cnn(C)c2)cc1S(N)(=O)=O ZINC000524265341 1196584035 /nfs/dbraw/zinc/58/40/35/1196584035.db2.gz DICGNOWUCMLODJ-UHFFFAOYSA-N 0 0 384.433 0.507 10 0 GCAERN CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000524314894 1196587841 /nfs/dbraw/zinc/58/78/41/1196587841.db2.gz OHRHQYYTIIVVDO-ZDUSSCGKSA-N 0 0 383.470 0.401 10 0 GCAERN COc1cc(C)c(C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1OC ZINC000446055239 1196610422 /nfs/dbraw/zinc/61/04/22/1196610422.db2.gz SKEMKDOBGAMZLV-UHFFFAOYSA-N 0 0 377.441 0.823 10 0 GCAERN CN(C)c1nccc(N2CCN(C(=O)c3cnc4n(c3=O)CCS4)CC2)n1 ZINC000524718877 1196619089 /nfs/dbraw/zinc/61/90/89/1196619089.db2.gz MCXILMFMLOLHLL-UHFFFAOYSA-N 0 0 387.469 0.167 10 0 GCAERN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(C)[C@@H]2CCNC2=O)C1=O ZINC000760119528 1196632318 /nfs/dbraw/zinc/63/23/18/1196632318.db2.gz WOIOSNCFFIYECM-BFUOFWGJSA-N 0 0 388.424 0.118 10 0 GCAERN O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCOc2cccc(F)c2C1 ZINC000367315489 1196637927 /nfs/dbraw/zinc/63/79/27/1196637927.db2.gz QXIOQZDWQCKWIQ-QWHCGFSZSA-N 0 0 396.440 0.582 10 0 GCAERN Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3cn4cccnc4n3)CC2)cn1 ZINC000524952575 1196640225 /nfs/dbraw/zinc/64/02/25/1196640225.db2.gz IFCJKGNLGGVPDX-UHFFFAOYSA-N 0 0 389.441 0.046 10 0 GCAERN Cc1ccc2ncc(C(=O)N3CCN(c4ccnc(N(C)C)n4)CC3)c(=O)n2c1 ZINC000524970223 1196641277 /nfs/dbraw/zinc/64/12/77/1196641277.db2.gz UEDRHJSHPFXBIN-UHFFFAOYSA-N 0 0 393.451 0.821 10 0 GCAERN CN(C)c1nccc(N2CCN(C(=O)Cn3c4ccccc4[nH]c3=O)CC2)n1 ZINC000524979233 1196641445 /nfs/dbraw/zinc/64/14/45/1196641445.db2.gz BGTONJQXLXRJTQ-UHFFFAOYSA-N 0 0 381.440 0.947 10 0 GCAERN Cn1cc([C@H](NC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)C(F)(F)F)cn1 ZINC000446469481 1196643867 /nfs/dbraw/zinc/64/38/67/1196643867.db2.gz WECYZLPVPWXOIP-BHDSKKPTSA-N 0 0 388.350 0.701 10 0 GCAERN Cn1cc([C@@H](NC(=O)Nc2cnn(CC(=O)NCCO)c2)C(F)(F)F)cn1 ZINC000446473286 1196643911 /nfs/dbraw/zinc/64/39/11/1196643911.db2.gz LEEBBFZJPLBILG-GFCCVEGCSA-N 0 0 389.338 0.150 10 0 GCAERN CN(C)c1nccc(N2CCN(C(=O)c3ccccc3OCC(N)=O)CC2)n1 ZINC000525169683 1196653338 /nfs/dbraw/zinc/65/33/38/1196653338.db2.gz HQFNNQOHAYWQME-UHFFFAOYSA-N 0 0 384.440 0.369 10 0 GCAERN COC(=O)[C@H]1CCCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)C1 ZINC000525219599 1196658195 /nfs/dbraw/zinc/65/81/95/1196658195.db2.gz YCFMLALDLSWVJH-NSHDSACASA-N 0 0 386.408 0.937 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cc(C)nn2Cc2ccccn2)C1 ZINC000446825269 1196675359 /nfs/dbraw/zinc/67/53/59/1196675359.db2.gz YLMMNYHUFAISFG-HNNXBMFYSA-N 0 0 399.455 0.493 10 0 GCAERN CN(C)c1nccc(N2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)n1 ZINC000525476000 1196685759 /nfs/dbraw/zinc/68/57/59/1196685759.db2.gz YYOXBYJSURSXMZ-UHFFFAOYSA-N 0 0 389.481 0.909 10 0 GCAERN COC(=O)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C)CC1 ZINC000508581872 1196690231 /nfs/dbraw/zinc/69/02/31/1196690231.db2.gz KDCQVASQGREGJP-UHFFFAOYSA-N 0 0 393.469 0.181 10 0 GCAERN Cn1cnc(CCNC(=O)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)n1 ZINC000447205281 1196700310 /nfs/dbraw/zinc/70/03/10/1196700310.db2.gz YXFFQVGSRVZEMW-UHFFFAOYSA-N 0 0 380.412 0.775 10 0 GCAERN NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)o1 ZINC000525692884 1196703295 /nfs/dbraw/zinc/70/32/95/1196703295.db2.gz AHOWYAAABKEXSO-UHFFFAOYSA-N 0 0 392.437 0.006 10 0 GCAERN COCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)OC)C2)cc1 ZINC000525732065 1196704974 /nfs/dbraw/zinc/70/49/74/1196704974.db2.gz QIUGUSNUHOEZDU-AWEZNQCLSA-N 0 0 384.454 0.637 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CC1 ZINC000525768418 1196708295 /nfs/dbraw/zinc/70/82/95/1196708295.db2.gz YEJMZIPCDWUFRS-ZDUSSCGKSA-N 0 0 392.504 0.348 10 0 GCAERN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)cc1 ZINC000525808371 1196711632 /nfs/dbraw/zinc/71/16/32/1196711632.db2.gz FRCVWPIWOHLFIP-SFHVURJKSA-N 0 0 394.497 0.585 10 0 GCAERN CN(CC1CC1)C(=O)CS(=O)(=O)c1n[nH]c(=O)n1CCc1ccccc1 ZINC000447371201 1196713004 /nfs/dbraw/zinc/71/30/04/1196713004.db2.gz FTSUDBYNCSCCKF-UHFFFAOYSA-N 0 0 378.454 0.869 10 0 GCAERN CC(=O)N1CCN(c2cccc(NC(=O)CN3C(=O)NC(C)(C)C3=O)c2)CC1 ZINC000525843199 1196716579 /nfs/dbraw/zinc/71/65/79/1196716579.db2.gz GXMQZOZMRMJHBH-UHFFFAOYSA-N 0 0 387.440 0.624 10 0 GCAERN COC[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)C[C@H](C)O1 ZINC000525962881 1196730064 /nfs/dbraw/zinc/73/00/64/1196730064.db2.gz OGASJLLHCUZTFX-YOEHRIQHSA-N 0 0 377.441 0.724 10 0 GCAERN Cn1cc(CCNC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cn1 ZINC000114933387 1196740815 /nfs/dbraw/zinc/74/08/15/1196740815.db2.gz VYWGYDPMGOAXOD-UHFFFAOYSA-N 0 0 376.505 0.548 10 0 GCAERN CN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000526136959 1196742423 /nfs/dbraw/zinc/74/24/23/1196742423.db2.gz ARDIAXQFHGOJDK-UHFFFAOYSA-N 0 0 376.457 0.252 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1F ZINC000447702683 1196742463 /nfs/dbraw/zinc/74/24/63/1196742463.db2.gz ZSPAHIWVDZOQDA-KRWDZBQOSA-N 0 0 382.413 0.541 10 0 GCAERN Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@@H]4CO[C@@H](C)C4)CC3)C2=O)n(C)n1 ZINC000526127911 1196743748 /nfs/dbraw/zinc/74/37/48/1196743748.db2.gz DRRSLINIDHYABB-ULQDDVLXSA-N 0 0 389.500 0.793 10 0 GCAERN C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CCC1CCCC1 ZINC000447740209 1196745406 /nfs/dbraw/zinc/74/54/06/1196745406.db2.gz HCEFINPMDUUOSO-ZUEVXXBESA-N 0 0 383.489 0.363 10 0 GCAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1C ZINC000447746979 1196746262 /nfs/dbraw/zinc/74/62/62/1196746262.db2.gz RQXGYJKQXNSOAT-QGZVFWFLSA-N 0 0 379.438 0.521 10 0 GCAERN CS(=O)(=O)c1ccc(OCCC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000447754765 1196746938 /nfs/dbraw/zinc/74/69/38/1196746938.db2.gz AXGIZUJPMFTWLW-KRWDZBQOSA-N 0 0 395.437 0.060 10 0 GCAERN CS(=O)(=O)c1ccc(OCCC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000447754766 1196746992 /nfs/dbraw/zinc/74/69/92/1196746992.db2.gz AXGIZUJPMFTWLW-QGZVFWFLSA-N 0 0 395.437 0.060 10 0 GCAERN CS(=O)(=O)CC[C@H](C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O)c1ccccc1 ZINC000447754192 1196747112 /nfs/dbraw/zinc/74/71/12/1196747112.db2.gz QJMHWKDTDREWQV-KSSFIOAISA-N 0 0 393.465 0.406 10 0 GCAERN COCCO[C@H]1C[C@H](CO)CN(C(=O)NCCCc2nnc3ccccn32)C1 ZINC000447768377 1196748007 /nfs/dbraw/zinc/74/80/07/1196748007.db2.gz LPCILXMYXFCLCZ-HOTGVXAUSA-N 0 0 391.472 0.717 10 0 GCAERN O=C(CCn1ccnn1)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000527046116 1196759258 /nfs/dbraw/zinc/75/92/58/1196759258.db2.gz UUEBGYVIUVVIBV-UHFFFAOYSA-N 0 0 377.470 0.910 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)c1OC ZINC000447941896 1196759654 /nfs/dbraw/zinc/75/96/54/1196759654.db2.gz SSHBLUYZSVGFES-UHFFFAOYSA-N 0 0 384.410 0.443 10 0 GCAERN CC(C)[C@H](NC(=O)c1cccc2ncnn21)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000527153485 1196768301 /nfs/dbraw/zinc/76/83/01/1196768301.db2.gz OWAHHSXXMDNADO-KRWDZBQOSA-N 0 0 396.455 0.680 10 0 GCAERN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1cccc(N3CCOCC3)c1)CCO2 ZINC000527188885 1196771680 /nfs/dbraw/zinc/77/16/80/1196771680.db2.gz GDYMROXRIWORCU-MGPUTAFESA-N 0 0 389.452 0.868 10 0 GCAERN CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000527446402 1196785088 /nfs/dbraw/zinc/78/50/88/1196785088.db2.gz OJJCANVZKUDLII-ZDUSSCGKSA-N 0 0 375.347 0.843 10 0 GCAERN C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000527447938 1196785658 /nfs/dbraw/zinc/78/56/58/1196785658.db2.gz IHMUTMAELHJWGP-RHSMWYFYSA-N 0 0 377.441 0.460 10 0 GCAERN CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)C(=O)N[C@@H]2CCOC2)CC1 ZINC000448277801 1196786281 /nfs/dbraw/zinc/78/62/81/1196786281.db2.gz FHXFJJGPVNICEI-OAHLLOKOSA-N 0 0 392.431 0.728 10 0 GCAERN CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)C(=O)N2CC[C@@H](O)C2)CC1 ZINC000448360285 1196793767 /nfs/dbraw/zinc/79/37/67/1196793767.db2.gz SHMRHKOTVPECHO-OAHLLOKOSA-N 0 0 392.431 0.416 10 0 GCAERN CNC(=O)Cn1cc(NC(=O)C(=O)NCc2cc(Cl)ccc2OC)cn1 ZINC000448490016 1196807600 /nfs/dbraw/zinc/80/76/00/1196807600.db2.gz LQHOBDONQFRQEU-UHFFFAOYSA-N 0 0 379.804 0.546 10 0 GCAERN Cc1nn(C)cc1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000448566731 1196817748 /nfs/dbraw/zinc/81/77/48/1196817748.db2.gz RQZNPVPSRUYVLD-UHFFFAOYSA-N 0 0 378.454 0.931 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC1CCN(c2ccccn2)CC1 ZINC000117130496 1196827284 /nfs/dbraw/zinc/82/72/84/1196827284.db2.gz LYJHZVLBADHPFZ-UHFFFAOYSA-N 0 0 379.420 0.870 10 0 GCAERN CC(C)N1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1=O ZINC000448860567 1196834894 /nfs/dbraw/zinc/83/48/94/1196834894.db2.gz JQGCHIOCXYBLKW-HOTGVXAUSA-N 0 0 394.516 0.833 10 0 GCAERN CC(C)N1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1=O ZINC000448860569 1196835068 /nfs/dbraw/zinc/83/50/68/1196835068.db2.gz JQGCHIOCXYBLKW-JKSUJKDBSA-N 0 0 394.516 0.833 10 0 GCAERN CCn1nnc(C)c1CN1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000449020778 1196847944 /nfs/dbraw/zinc/84/79/44/1196847944.db2.gz APRHZULODWUSLB-UHFFFAOYSA-N 0 0 378.502 0.837 10 0 GCAERN COCCCNC(=O)[C@H](C)N1CCN(Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC000449021515 1196847991 /nfs/dbraw/zinc/84/79/91/1196847991.db2.gz CXOFRKUSZJTSJR-INIZCTEOSA-N 0 0 397.541 0.749 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)c1 ZINC000528480741 1196861789 /nfs/dbraw/zinc/86/17/89/1196861789.db2.gz HFNJWLJGEFNQGM-GOSISDBHSA-N 0 0 382.482 0.783 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NC[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC000528480742 1196861985 /nfs/dbraw/zinc/86/19/85/1196861985.db2.gz HFNJWLJGEFNQGM-SFHVURJKSA-N 0 0 382.482 0.783 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(C)n(-c3cnccn3)c2C)CC1 ZINC000528470048 1196862128 /nfs/dbraw/zinc/86/21/28/1196862128.db2.gz KKVYUTNMEOOUJA-UHFFFAOYSA-N 0 0 398.467 0.695 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(C)n([C@H]3CCOC3)c2C)CC1 ZINC000528474727 1196862954 /nfs/dbraw/zinc/86/29/54/1196862954.db2.gz ZCYQWAWPKCWUQP-KRWDZBQOSA-N 0 0 390.484 0.877 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)c2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000528474674 1196863057 /nfs/dbraw/zinc/86/30/57/1196863057.db2.gz YRNPGXXHMDGGGZ-UHFFFAOYSA-N 0 0 387.440 0.799 10 0 GCAERN COc1nccc(CN2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)n1 ZINC000449234372 1196863842 /nfs/dbraw/zinc/86/38/42/1196863842.db2.gz PYVGJBRWALDJTK-KRWDZBQOSA-N 0 0 399.499 0.840 10 0 GCAERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000119048113 1196876664 /nfs/dbraw/zinc/87/66/64/1196876664.db2.gz HIIYLMRQMLZVHP-SMDDNHRTSA-N 0 0 397.435 0.733 10 0 GCAERN COc1cccc(-n2cc(C(=O)N3CCN(Cc4nnc(C)[nH]4)CC3)nn2)c1 ZINC000449881443 1196903920 /nfs/dbraw/zinc/90/39/20/1196903920.db2.gz DSGLFNXKECIUQN-UHFFFAOYSA-N 0 0 382.428 0.660 10 0 GCAERN COCCOC[C@H](O)CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000450268686 1196922865 /nfs/dbraw/zinc/92/28/65/1196922865.db2.gz HWBQYCVQGQFVJU-MRXNPFEDSA-N 0 0 386.876 0.887 10 0 GCAERN COc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1F ZINC000372234888 1196927635 /nfs/dbraw/zinc/92/76/35/1196927635.db2.gz AFZZQTBDMVREHQ-CQSZACIVSA-N 0 0 393.415 0.977 10 0 GCAERN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000610086323 1196933953 /nfs/dbraw/zinc/93/39/53/1196933953.db2.gz YLZRLJDEBJRTFG-HNNXBMFYSA-N 0 0 397.501 0.509 10 0 GCAERN CCOC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC12COC2 ZINC000450561145 1196936019 /nfs/dbraw/zinc/93/60/19/1196936019.db2.gz LKLZUQPPWBQATI-HNNXBMFYSA-N 0 0 395.481 0.882 10 0 GCAERN CCOC(=O)[C@H]1CN(c2ncccc2S(=O)(=O)NC(C)C)CC12COC2 ZINC000450568479 1196940466 /nfs/dbraw/zinc/94/04/66/1196940466.db2.gz NCVFDQNFQZGOSQ-CYBMUJFWSA-N 0 0 383.470 0.784 10 0 GCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000529835333 1196946812 /nfs/dbraw/zinc/94/68/12/1196946812.db2.gz JVJMNGQWTQGMKS-WBVHZDCISA-N 0 0 391.435 0.797 10 0 GCAERN C[C@@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)c1ccccc1-n1cccn1 ZINC000121417903 1196961102 /nfs/dbraw/zinc/96/11/02/1196961102.db2.gz SDLSFBADLMILOY-CYBMUJFWSA-N 0 0 388.453 0.762 10 0 GCAERN COC(=O)C(C)(C)CS(=O)(=O)N1CCCc2c(OCC(N)=O)cccc21 ZINC000451100201 1196972352 /nfs/dbraw/zinc/97/23/52/1196972352.db2.gz QWOWGFUPMGYXCK-UHFFFAOYSA-N 0 0 384.454 0.832 10 0 GCAERN CCOC(=O)[C@H]1CN(CC(=O)NCCCN2CCCCCC2=O)CC12COC2 ZINC000451138928 1196972867 /nfs/dbraw/zinc/97/28/67/1196972867.db2.gz RJCXYSBESDEVKL-MRXNPFEDSA-N 0 0 395.500 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1197003257 /nfs/dbraw/zinc/00/32/57/1197003257.db2.gz IPYOUHSZKULDBD-GFCCVEGCSA-N 0 0 393.421 0.123 10 0 GCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cccc3c2OCCO3)CC12COC2 ZINC000451619682 1197003354 /nfs/dbraw/zinc/00/33/54/1197003354.db2.gz KCPRLFWYFNHYBJ-LBPRGKRZSA-N 0 0 383.422 0.658 10 0 GCAERN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc(OC)c(OC)cc1C ZINC000530787398 1197017045 /nfs/dbraw/zinc/01/70/45/1197017045.db2.gz CSMYNMJGCXNHQJ-ZDUSSCGKSA-N 0 0 398.481 0.778 10 0 GCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)C1 ZINC000530826291 1197020516 /nfs/dbraw/zinc/02/05/16/1197020516.db2.gz MOQKDPQOOIWUCY-GASCZTMLSA-N 0 0 382.534 0.887 10 0 GCAERN CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(CC(F)(F)F)C[C@@H](C)C2)CC1 ZINC000451873481 1197020546 /nfs/dbraw/zinc/02/05/46/1197020546.db2.gz OWWPIDJKVJTEPA-KGLIPLIRSA-N 0 0 378.439 0.882 10 0 GCAERN CS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000530845926 1197021275 /nfs/dbraw/zinc/02/12/75/1197021275.db2.gz AHVVXVBCWNEAFD-UHFFFAOYSA-N 0 0 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GCAERN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N(C)Cc3nnnn3C)cc12 ZINC000531567221 1197084782 /nfs/dbraw/zinc/08/47/82/1197084782.db2.gz CXTJCQWBMFXPSK-VIFPVBQESA-N 0 0 376.446 0.244 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000531616572 1197088105 /nfs/dbraw/zinc/08/81/05/1197088105.db2.gz JSYPRYPALLFXMZ-CQSZACIVSA-N 0 0 380.470 0.760 10 0 GCAERN CN(Cc1nnnn1C)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000531804106 1197098600 /nfs/dbraw/zinc/09/86/00/1197098600.db2.gz KOXWMBAJBMWZOF-UHFFFAOYSA-N 0 0 393.473 0.336 10 0 GCAERN O=C(NCc1ccc2c(c1)CCS2(=O)=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000531807463 1197098782 /nfs/dbraw/zinc/09/87/82/1197098782.db2.gz ZZQKDRFITLTMED-SFHVURJKSA-N 0 0 377.466 0.828 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCc2cccc(NC(=O)COC)c2)C1 ZINC000531860049 1197100993 /nfs/dbraw/zinc/10/09/93/1197100993.db2.gz KKLMHKJUBRDERE-OAHLLOKOSA-N 0 0 377.445 0.875 10 0 GCAERN CC(=O)N1CCN(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)[C@@H](C)C1 ZINC000531934723 1197104669 /nfs/dbraw/zinc/10/46/69/1197104669.db2.gz RQZOTVWYQKUTSW-HXPMCKFVSA-N 0 0 387.440 0.503 10 0 GCAERN CN(Cc1nnnn1C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000532068629 1197109842 /nfs/dbraw/zinc/10/98/42/1197109842.db2.gz HFJRKEVABAOKBH-ZDUSSCGKSA-N 0 0 378.458 0.269 10 0 GCAERN CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532126662 1197115684 /nfs/dbraw/zinc/11/56/84/1197115684.db2.gz AQFRRAMQRIPBRK-OAHLLOKOSA-N 0 0 383.489 0.989 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)C1 ZINC000532116967 1197117345 /nfs/dbraw/zinc/11/73/45/1197117345.db2.gz SSBKRHYRINANBC-GFCCVEGCSA-N 0 0 393.410 0.890 10 0 GCAERN O=C(Nc1ccc2ncnn2c1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000453632048 1197117396 /nfs/dbraw/zinc/11/73/96/1197117396.db2.gz DFECYNNNYDBIMO-UHFFFAOYSA-N 0 0 384.440 0.919 10 0 GCAERN CCC(=O)N1CC[C@H](NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000532141911 1197119991 /nfs/dbraw/zinc/11/99/91/1197119991.db2.gz YHBPLTQZGVDTAH-INIZCTEOSA-N 0 0 379.505 0.241 10 0 GCAERN COc1c(F)cc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)c(OC)c1F ZINC000453718085 1197125616 /nfs/dbraw/zinc/12/56/16/1197125616.db2.gz VMHPBMNGUPZIEH-VIFPVBQESA-N 0 0 385.367 1.000 10 0 GCAERN CN(C)c1cc(NC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)ncn1 ZINC000453716734 1197125711 /nfs/dbraw/zinc/12/57/11/1197125711.db2.gz DOQREQABJHSKJN-OAHLLOKOSA-N 0 0 385.424 0.788 10 0 GCAERN Cc1c(NC(=O)C(=O)N2CC[C@@H](CO)[C@@H]2C)cccc1S(=O)(=O)N(C)C ZINC000453742638 1197127827 /nfs/dbraw/zinc/12/78/27/1197127827.db2.gz QNTCYHQQCYSBAU-STQMWFEESA-N 0 0 383.470 0.413 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(OC(C)C)c1 ZINC000453743741 1197127897 /nfs/dbraw/zinc/12/78/97/1197127897.db2.gz RGVLMHLAEQSABE-QWHCGFSZSA-N 0 0 393.440 0.985 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)CC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cc1F ZINC000532238004 1197130797 /nfs/dbraw/zinc/13/07/97/1197130797.db2.gz CCUYGKAGBFEFLE-RYUDHWBXSA-N 0 0 384.429 0.962 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(OC)cc2F)CC12COC2 ZINC000453790941 1197132781 /nfs/dbraw/zinc/13/27/81/1197132781.db2.gz BYPXOIVWPLUAHH-JTQLQIEISA-N 0 0 398.362 0.950 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2OC)CC12COC2 ZINC000453792187 1197132784 /nfs/dbraw/zinc/13/27/84/1197132784.db2.gz CRJVAGRMKZZWOQ-LBPRGKRZSA-N 0 0 380.372 0.811 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)cc2)CC12COC2 ZINC000453795350 1197133178 /nfs/dbraw/zinc/13/31/78/1197133178.db2.gz GBHJTKCGXXVJEM-INIZCTEOSA-N 0 0 398.419 0.849 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(C)cc(C(N)=O)c2)CC12COC2 ZINC000453792934 1197133219 /nfs/dbraw/zinc/13/32/19/1197133219.db2.gz DEOJVUPOZQROFL-AWEZNQCLSA-N 0 0 389.408 0.071 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2scnc2C2CC2)CC12COC2 ZINC000453798030 1197133742 /nfs/dbraw/zinc/13/37/42/1197133742.db2.gz ISVJDYYHRAKSSN-NSHDSACASA-N 0 0 379.438 0.997 10 0 GCAERN Cc1oc(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)cc1S(N)(=O)=O ZINC000532298537 1197136778 /nfs/dbraw/zinc/13/67/78/1197136778.db2.gz DTUNZEYNEOUCEK-UHFFFAOYSA-N 0 0 394.457 0.054 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cnc(C(C)C)nc2)CC12COC2 ZINC000453801520 1197137891 /nfs/dbraw/zinc/13/78/91/1197137891.db2.gz MOGMLDNRYVMARN-CYBMUJFWSA-N 0 0 376.413 0.577 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(C)c3nccn3c2)CC12COC2 ZINC000453804224 1197138078 /nfs/dbraw/zinc/13/80/78/1197138078.db2.gz PQJWWQKORCCAMD-CQSZACIVSA-N 0 0 386.408 0.619 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(OC)cc2C)CC12COC2 ZINC000453804243 1197138161 /nfs/dbraw/zinc/13/81/61/1197138161.db2.gz PSCYEHDXAKWZKG-CQSZACIVSA-N 0 0 376.409 0.980 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)CC12COC2 ZINC000453806121 1197138798 /nfs/dbraw/zinc/13/87/98/1197138798.db2.gz SPJKNPFQRVVSNM-CYBMUJFWSA-N 0 0 387.392 0.158 10 0 GCAERN CN(Cc1nnnn1C)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000532322439 1197144100 /nfs/dbraw/zinc/14/41/00/1197144100.db2.gz COPQRFKWRMAOFH-UHFFFAOYSA-N 0 0 378.458 0.703 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H](CO)C2)C1 ZINC000363927214 1197150567 /nfs/dbraw/zinc/15/05/67/1197150567.db2.gz LJOUJYCFBHOKHL-GJZGRUSLSA-N 0 0 385.486 0.923 10 0 GCAERN Cn1c(=O)c2ccc(C(=O)Nc3cc(-c4ccncc4)[nH]n3)nc2n(C)c1=O ZINC000171295939 1197156876 /nfs/dbraw/zinc/15/68/76/1197156876.db2.gz IVVABLGOFBNMRV-UHFFFAOYSA-N 0 0 377.364 0.670 10 0 GCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000171534513 1197158032 /nfs/dbraw/zinc/15/80/32/1197158032.db2.gz XHDZXBQILCXKQA-LBPRGKRZSA-N 0 0 386.437 0.960 10 0 GCAERN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000171733346 1197158453 /nfs/dbraw/zinc/15/84/53/1197158453.db2.gz XIPZSZATRODEMY-HNNXBMFYSA-N 0 0 397.483 0.762 10 0 GCAERN CN1CCN(C(=O)CCNC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000172199337 1197159055 /nfs/dbraw/zinc/15/90/55/1197159055.db2.gz RYMUMJDKUYSWCO-AWEZNQCLSA-N 0 0 394.422 0.598 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCN(CCO)[C@H](C)C2)cc1F ZINC000428516169 1197162743 /nfs/dbraw/zinc/16/27/43/1197162743.db2.gz ISODOGOQJXFKKK-GFCCVEGCSA-N 0 0 386.445 0.327 10 0 GCAERN Cn1cc(S(=O)(=O)NCCN2CCC(NC(=O)C3CCCCC3)CC2)cn1 ZINC000173259801 1197176043 /nfs/dbraw/zinc/17/60/43/1197176043.db2.gz MFFWNJHISKSEJG-UHFFFAOYSA-N 0 0 397.545 0.859 10 0 GCAERN Cn1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(-n4cccn4)nc3)C2)cn1 ZINC000175229572 1197183755 /nfs/dbraw/zinc/18/37/55/1197183755.db2.gz LCKFAFMNXQATAD-OAHLLOKOSA-N 0 0 394.439 0.725 10 0 GCAERN O=C(NCCc1cc(F)ccc1F)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000177096603 1197189096 /nfs/dbraw/zinc/18/90/96/1197189096.db2.gz SZTWTUBNUJKDHD-OCCSQVGLSA-N 0 0 386.420 0.659 10 0 GCAERN Cn1cc(N2CCN(C(=O)CN3CCN(Cc4ccccc4)CC3)CC2=O)cn1 ZINC000177838900 1197192665 /nfs/dbraw/zinc/19/26/65/1197192665.db2.gz SWQFLYGZEWZIEL-UHFFFAOYSA-N 0 0 396.495 0.413 10 0 GCAERN CCN1CCN(c2ccc(C(=O)NC[C@H]3CN4CCN3CC4)cc2F)CC1 ZINC000178782023 1197195007 /nfs/dbraw/zinc/19/50/07/1197195007.db2.gz SBGIWDSTLGMRPC-KRWDZBQOSA-N 0 0 375.492 0.697 10 0 GCAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NCC(=O)N1CCOCC1)CC2 ZINC000181043473 1197203162 /nfs/dbraw/zinc/20/31/62/1197203162.db2.gz USVMVWXRKDYHCG-NSHDSACASA-N 0 0 386.374 0.884 10 0 GCAERN Cc1nc(S(=O)(=O)NCC(=O)N(C)CCOc2ccc(C)cc2)cn1C ZINC000116495358 1197204258 /nfs/dbraw/zinc/20/42/58/1197204258.db2.gz MIDFGKZKAXFTFX-UHFFFAOYSA-N 0 0 380.470 0.853 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCC[C@@H](Cn3ccnn3)C2)cn1C ZINC000181386806 1197204408 /nfs/dbraw/zinc/20/44/08/1197204408.db2.gz WJQIEYAUEXRNFW-ZDUSSCGKSA-N 0 0 380.474 0.419 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(c3ccccn3)C2)cn1C ZINC000181389228 1197204420 /nfs/dbraw/zinc/20/44/20/1197204420.db2.gz LUCUAJSGQNFYAH-CYBMUJFWSA-N 0 0 377.470 0.679 10 0 GCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)C1 ZINC000181470057 1197204710 /nfs/dbraw/zinc/20/47/10/1197204710.db2.gz MEIMMQBKCJEWHM-SFHVURJKSA-N 0 0 394.541 0.344 10 0 GCAERN Cc1cc(S(N)(=O)=O)cc(C(=O)NCCc2nnc3n2CCCC3)c1C ZINC000182096389 1197205775 /nfs/dbraw/zinc/20/57/75/1197205775.db2.gz YRCFZGXVPNHKGC-UHFFFAOYSA-N 0 0 377.470 0.851 10 0 GCAERN NC(=O)[C@@H]1CC(C(=O)NCCc2nnc3n2CCCC3)=NN1c1ccccc1 ZINC000184128983 1197210694 /nfs/dbraw/zinc/21/06/94/1197210694.db2.gz KWYLWZRZRCYSDE-HNNXBMFYSA-N 0 0 381.440 0.393 10 0 GCAERN COC[C@@H](C)n1ccc(=NC(=O)C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)[nH]1 ZINC000375559378 1197213328 /nfs/dbraw/zinc/21/33/28/1197213328.db2.gz VKIPXDUCISZMCU-OLZOCXBDSA-N 0 0 389.460 0.769 10 0 GCAERN COC[C@H](C)n1ccc(=NC(=O)C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)[nH]1 ZINC000375559382 1197213384 /nfs/dbraw/zinc/21/33/84/1197213384.db2.gz VKIPXDUCISZMCU-STQMWFEESA-N 0 0 389.460 0.769 10 0 GCAERN Cn1cc(S(=O)(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1C(N)=O ZINC000187995471 1197231809 /nfs/dbraw/zinc/23/18/09/1197231809.db2.gz FTJVFXWROYQTKB-UHFFFAOYSA-N 0 0 378.458 0.235 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000453937751 1197232844 /nfs/dbraw/zinc/23/28/44/1197232844.db2.gz OXUMURILEUREQI-OKILXGFUSA-N 0 0 376.457 0.521 10 0 GCAERN O=C(NCc1cccnc1-n1ccnc1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000189217100 1197235060 /nfs/dbraw/zinc/23/50/60/1197235060.db2.gz MUGFBHWDKDMOAX-UHFFFAOYSA-N 0 0 377.408 0.529 10 0 GCAERN CS(=O)(=O)C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000453940151 1197235662 /nfs/dbraw/zinc/23/56/62/1197235662.db2.gz MUYSMAWGDQFXRX-OAHLLOKOSA-N 0 0 393.465 0.788 10 0 GCAERN C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189634093 1197237423 /nfs/dbraw/zinc/23/74/23/1197237423.db2.gz HPQAFNVXLODMHD-ZFWWWQNUSA-N 0 0 395.529 0.443 10 0 GCAERN COCc1noc(CN2CCN([C@@H]3CCN(c4cc(C)nn4C)C3=O)CC2)n1 ZINC000189640105 1197237581 /nfs/dbraw/zinc/23/75/81/1197237581.db2.gz RVPJYCHECQBKFJ-CQSZACIVSA-N 0 0 389.460 0.181 10 0 GCAERN Cc1c(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)cnn1-c1ccccc1F ZINC000190049832 1197240376 /nfs/dbraw/zinc/24/03/76/1197240376.db2.gz ALZRDKJLWWLZER-CYBMUJFWSA-N 0 0 389.431 0.783 10 0 GCAERN COCCN1CCCN(CC(=O)N2CCN(c3ccccc3F)CC2)CC1=O ZINC000190786476 1197242083 /nfs/dbraw/zinc/24/20/83/1197242083.db2.gz OOIDCKOHUUHTMS-UHFFFAOYSA-N 0 0 392.475 0.655 10 0 GCAERN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000190983320 1197242125 /nfs/dbraw/zinc/24/21/25/1197242125.db2.gz DAPLVTTZIHWORR-GFCCVEGCSA-N 0 0 378.473 0.661 10 0 GCAERN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000190983302 1197242317 /nfs/dbraw/zinc/24/23/17/1197242317.db2.gz DAPLVTTZIHWORR-LBPRGKRZSA-N 0 0 378.473 0.661 10 0 GCAERN CC(C)N1C(=O)C[C@H](NC(=O)C2(CC(=O)N3CCOCC3)CCCC2)C1=O ZINC000333011384 1197245718 /nfs/dbraw/zinc/24/57/18/1197245718.db2.gz BEDFLJVBKAYMFM-AWEZNQCLSA-N 0 0 379.457 0.448 10 0 GCAERN CC(C)N1C(=O)C[C@@H](NC(=O)C2(CC(=O)N3CCOCC3)CCCC2)C1=O ZINC000333011386 1197246003 /nfs/dbraw/zinc/24/60/03/1197246003.db2.gz BEDFLJVBKAYMFM-CQSZACIVSA-N 0 0 379.457 0.448 10 0 GCAERN Cc1occc1C(=O)NC1CCN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000170777574 1197255958 /nfs/dbraw/zinc/25/59/58/1197255958.db2.gz SELGWWTWSGKYTP-CYBMUJFWSA-N 0 0 390.484 0.908 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)NCCc2nc3ccccc3s2)C1 ZINC000909671157 1197258737 /nfs/dbraw/zinc/25/87/37/1197258737.db2.gz IJNRUIWYQFOWFA-AWEZNQCLSA-N 0 0 391.449 0.746 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000909673739 1197285618 /nfs/dbraw/zinc/28/56/18/1197285618.db2.gz ZDCHMOHUVGQGSS-QGZVFWFLSA-N 0 0 393.415 0.265 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000909674026 1197285676 /nfs/dbraw/zinc/28/56/76/1197285676.db2.gz BXIBRFSFCQYZIR-DLBZAZTESA-N 0 0 394.399 0.516 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000909674206 1197286604 /nfs/dbraw/zinc/28/66/04/1197286604.db2.gz PPYYDGJBGAUAOI-CQSZACIVSA-N 0 0 386.351 0.695 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)O[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000909674542 1197286615 /nfs/dbraw/zinc/28/66/15/1197286615.db2.gz RBWRXQGKXCEQEI-NUTKFTJISA-N 0 0 376.409 0.805 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCC(=O)N2CCN(c3cccc(C)c3)CC2)C1 ZINC000909675302 1197290506 /nfs/dbraw/zinc/29/05/06/1197290506.db2.gz VPNKKMHODZWIJB-GOSISDBHSA-N 0 0 389.452 0.434 10 0 GCAERN CN(C)C(=O)C1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000171105232 1197312163 /nfs/dbraw/zinc/31/21/63/1197312163.db2.gz BMAVXKIVTQMJQX-UHFFFAOYSA-N 0 0 398.463 0.385 10 0 GCAERN O=C(CN1CCN(C(=O)C(=O)N2CCCC2)CC1)Nc1nc2c(s1)CCC2 ZINC000532477922 1197315971 /nfs/dbraw/zinc/31/59/71/1197315971.db2.gz RSRZTZVIINWPAK-UHFFFAOYSA-N 0 0 391.497 0.337 10 0 GCAERN CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)C1=O ZINC000532562595 1197328885 /nfs/dbraw/zinc/32/88/85/1197328885.db2.gz GNHHBTNCCRLZMX-OAHLLOKOSA-N 0 0 388.424 0.114 10 0 GCAERN C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C)nc1)C(=O)NCCc1ccccc1 ZINC000454112343 1197329413 /nfs/dbraw/zinc/32/94/13/1197329413.db2.gz MYDPBXODBCPJLJ-CQSZACIVSA-N 0 0 383.452 0.950 10 0 GCAERN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1cccnc1-n1ccnc1 ZINC000029913600 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CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H](O)Cc1cccc(F)c1 ZINC000454865554 1197435209 /nfs/dbraw/zinc/43/52/09/1197435209.db2.gz BCBYUMVJJZBLFI-XUJVJEKNSA-N 0 0 383.420 0.485 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](O)Cc1cccc(F)c1 ZINC000454865552 1197435288 /nfs/dbraw/zinc/43/52/88/1197435288.db2.gz BCBYUMVJJZBLFI-SLEUVZQESA-N 0 0 383.420 0.485 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2ncnn2-c2ccccc2)CC12COC2 ZINC000454890387 1197436055 /nfs/dbraw/zinc/43/60/55/1197436055.db2.gz NDJBSCHUYKDGKC-HNNXBMFYSA-N 0 0 385.424 0.988 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000454875906 1197436506 /nfs/dbraw/zinc/43/65/06/1197436506.db2.gz MRRFZMPPOWRRDK-AGIUHOORSA-N 0 0 391.490 0.051 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)C(=O)Nc1cccnc1C ZINC000454877000 1197436653 /nfs/dbraw/zinc/43/66/53/1197436653.db2.gz OJIZVBZDOZGEDP-AVGNSLFASA-N 0 0 393.444 0.473 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000454880325 1197437032 /nfs/dbraw/zinc/43/70/32/1197437032.db2.gz SLCYQCLDJZBHAV-RWMBFGLXSA-N 0 0 379.461 0.969 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NC[C@@H](OC)C2CC2)CC1 ZINC000455053417 1197444153 /nfs/dbraw/zinc/44/41/53/1197444153.db2.gz OHBQYBCDMMAHTD-MRXNPFEDSA-N 0 0 396.513 0.851 10 0 GCAERN Cc1ccc(-c2noc(CN[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)n2)cc1 ZINC000533519021 1197456481 /nfs/dbraw/zinc/45/64/81/1197456481.db2.gz KVAURMIXQVIDHH-CVEARBPZSA-N 0 0 392.481 0.632 10 0 GCAERN COCCCN(CC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000533521410 1197456591 /nfs/dbraw/zinc/45/65/91/1197456591.db2.gz HUAICLCEXTWAOQ-AWEZNQCLSA-N 0 0 384.454 0.879 10 0 GCAERN CCOC(=O)COCCNC(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000455327689 1197457110 /nfs/dbraw/zinc/45/71/10/1197457110.db2.gz RBPZVIBCTDYFNC-UHFFFAOYSA-N 0 0 391.468 0.971 10 0 GCAERN CS(=O)(=O)N1CC[C@@H](CNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C1 ZINC000533576537 1197459496 /nfs/dbraw/zinc/45/94/96/1197459496.db2.gz IQEYCZBOSLWLCJ-XJKSGUPXSA-N 0 0 395.481 0.815 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@@H]2CCC[C@H]2OC)CC1 ZINC000455411362 1197460536 /nfs/dbraw/zinc/46/05/36/1197460536.db2.gz JGPADXMIAWNXDO-GDBMZVCRSA-N 0 0 396.513 0.994 10 0 GCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000533614452 1197462562 /nfs/dbraw/zinc/46/25/62/1197462562.db2.gz OKDZPSCJLNTXFM-NSHDSACASA-N 0 0 397.443 0.150 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000066903606 1197467254 /nfs/dbraw/zinc/46/72/54/1197467254.db2.gz PVALFSYTQDWBDQ-UHFFFAOYSA-N 0 0 384.502 0.856 10 0 GCAERN CN1CCN(C(=O)CC2CCN(S(=O)(=O)N3CCCCCC3)CC2)CC1 ZINC000066903587 1197467552 /nfs/dbraw/zinc/46/75/52/1197467552.db2.gz DHVGFAGJLTXGEA-UHFFFAOYSA-N 0 0 386.562 0.983 10 0 GCAERN Cn1cc(S(=O)(=O)N[C@H](c2ccccc2)c2ccncc2)c(=O)n(C)c1=O ZINC000070843256 1197469563 /nfs/dbraw/zinc/46/95/63/1197469563.db2.gz PETOLICYOXMYBX-MRXNPFEDSA-N 0 0 386.433 0.547 10 0 GCAERN CC(C)[C@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C(=O)N(C)C ZINC000729694546 1197471439 /nfs/dbraw/zinc/47/14/39/1197471439.db2.gz NGJAPDFWPSQNJA-GJZGRUSLSA-N 0 0 378.404 0.902 10 0 GCAERN CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N(C)C ZINC000729695807 1197471514 /nfs/dbraw/zinc/47/15/14/1197471514.db2.gz KKQJPYXPVFVMHD-INIZCTEOSA-N 0 0 398.481 0.977 10 0 GCAERN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C(=O)N(C)C)C(C)C)cc1 ZINC000729701305 1197471884 /nfs/dbraw/zinc/47/18/84/1197471884.db2.gz TVXYDXILNZMNNO-MRXNPFEDSA-N 0 0 399.469 0.579 10 0 GCAERN COCCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)cc1 ZINC000729703152 1197472292 /nfs/dbraw/zinc/47/22/92/1197472292.db2.gz HDIFMOLVQJSGFK-OAHLLOKOSA-N 0 0 386.470 0.881 10 0 GCAERN C[C@@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C[C@@H](c2ccc(F)cc2)O1 ZINC000246599906 1197472721 /nfs/dbraw/zinc/47/27/21/1197472721.db2.gz GFBOISFDGSEUTL-ABAIWWIYSA-N 0 0 390.415 0.450 10 0 GCAERN COCCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N(C)C)C(C)C)c1 ZINC000729704799 1197475937 /nfs/dbraw/zinc/47/59/37/1197475937.db2.gz KARBBMGFCLOCRD-HNNXBMFYSA-N 0 0 386.470 0.881 10 0 GCAERN CCC(=O)N1CC[C@@H](C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000161652821 1197497594 /nfs/dbraw/zinc/49/75/94/1197497594.db2.gz DWDUZYQIGDIBMG-JKSUJKDBSA-N 0 0 378.517 0.836 10 0 GCAERN C[C@H](NC(=O)C[S@](=O)Cc1nccn1Cc1ccccc1)C(=O)N(C)C ZINC000475989461 1197504125 /nfs/dbraw/zinc/50/41/25/1197504125.db2.gz LQKOOQOCXIOZTI-RMKBEBRYSA-N 0 0 376.482 0.773 10 0 GCAERN CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCNC[C@H]2c2cccnc2)cc1 ZINC000261651820 1197510642 /nfs/dbraw/zinc/51/06/42/1197510642.db2.gz HKSLTLPJJVYGSK-KRWDZBQOSA-N 0 0 395.506 0.961 10 0 GCAERN Cn1ccnc1[C@@H]1CNCCN1C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000261677161 1197511546 /nfs/dbraw/zinc/51/15/46/1197511546.db2.gz HAUNVTYEOXOMQG-AWEZNQCLSA-N 0 0 388.472 0.490 10 0 GCAERN CCOC(=O)c1cc(S(=O)(=O)N2CCNC[C@@H]2c2cccnc2)cn1C ZINC000261788203 1197514700 /nfs/dbraw/zinc/51/47/00/1197514700.db2.gz KSLMZLQPGVBGBY-MRXNPFEDSA-N 0 0 378.454 0.932 10 0 GCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)CNS(=O)(=O)CCOC(C)C ZINC000261910259 1197518517 /nfs/dbraw/zinc/51/85/17/1197518517.db2.gz HLAWQPVEOVCSAR-INIZCTEOSA-N 0 0 399.513 0.513 10 0 GCAERN CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000261987655 1197521465 /nfs/dbraw/zinc/52/14/65/1197521465.db2.gz CPDHNSBFJYISSD-SFHVURJKSA-N 0 0 396.919 0.963 10 0 GCAERN NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCNC[C@@H]2c2cccnc2)cc1 ZINC000262099657 1197524871 /nfs/dbraw/zinc/52/48/71/1197524871.db2.gz ZFAJNBRFCXKUDM-MRXNPFEDSA-N 0 0 388.449 0.127 10 0 GCAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000262544137 1197534062 /nfs/dbraw/zinc/53/40/62/1197534062.db2.gz SGOAFMJWYAMSMN-AWEZNQCLSA-N 0 0 399.900 0.537 10 0 GCAERN O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000262559578 1197534979 /nfs/dbraw/zinc/53/49/79/1197534979.db2.gz XWGPITZROSMPFU-JKSUJKDBSA-N 0 0 394.541 0.501 10 0 GCAERN O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000262559576 1197535194 /nfs/dbraw/zinc/53/51/94/1197535194.db2.gz XWGPITZROSMPFU-HOTGVXAUSA-N 0 0 394.541 0.501 10 0 GCAERN COC(=O)CN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C)CC1 ZINC000508679066 1197537812 /nfs/dbraw/zinc/53/78/12/1197537812.db2.gz GKTYVWDFTLARJS-UHFFFAOYSA-N 0 0 397.439 0.024 10 0 GCAERN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263102533 1197541511 /nfs/dbraw/zinc/54/15/11/1197541511.db2.gz ZOPPZKINIJLTLI-CQSZACIVSA-N 0 0 394.488 0.637 10 0 GCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)CC2 ZINC000533735924 1197552818 /nfs/dbraw/zinc/55/28/18/1197552818.db2.gz QTOVBBVRAICJPV-UHFFFAOYSA-N 0 0 393.509 0.394 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1nnc(C2CCOCC2)s1 ZINC000455672674 1197565470 /nfs/dbraw/zinc/56/54/70/1197565470.db2.gz VHCXIFLJWIWSRX-NXEZZACHSA-N 0 0 399.473 1.010 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](c3nccn3C)C2)c1 ZINC000533791637 1197566352 /nfs/dbraw/zinc/56/63/52/1197566352.db2.gz IORSKHAYSGJBRF-GFCCVEGCSA-N 0 0 391.453 0.283 10 0 GCAERN CC(C)(C)n1cc(C(=O)C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cn1 ZINC000508746185 1197569634 /nfs/dbraw/zinc/56/96/34/1197569634.db2.gz GPWWLBPUTCXWLB-UHFFFAOYSA-N 0 0 393.465 0.903 10 0 GCAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC(=O)N(C)C2)[C@@H](C(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000332961807 1197577061 /nfs/dbraw/zinc/57/70/61/1197577061.db2.gz YOGWKEUNHPRKJS-QCODTGAPSA-N 0 0 392.500 0.123 10 0 GCAERN O=C(NC[C@H](O)Cn1ccnn1)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000459392471 1197579332 /nfs/dbraw/zinc/57/93/32/1197579332.db2.gz UJUUNAJPOASBSN-LBPRGKRZSA-N 0 0 377.405 1.042 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)NCCN2CCOCC2)c1OC ZINC000536657925 1197579407 /nfs/dbraw/zinc/57/94/07/1197579407.db2.gz FUBSBWCYRLNKFH-UHFFFAOYSA-N 0 0 388.442 0.101 10 0 GCAERN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCSC[C@H]1CCO ZINC000536648615 1197579699 /nfs/dbraw/zinc/57/96/99/1197579699.db2.gz IISUVWUKXSMZBG-HZPDHXFCSA-N 0 0 385.530 0.026 10 0 GCAERN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCSC[C@@H]1CCO ZINC000536648616 1197579729 /nfs/dbraw/zinc/57/97/29/1197579729.db2.gz IISUVWUKXSMZBG-JKSUJKDBSA-N 0 0 385.530 0.026 10 0 GCAERN O=C(CCNC(=O)C(=O)NCCCC1CC1)N1CCN(c2ccccn2)CC1 ZINC000671998169 1198993627 /nfs/dbraw/zinc/99/36/27/1198993627.db2.gz VCTMTMFUZLVAAR-UHFFFAOYSA-N 0 0 387.484 0.543 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)CC2)[nH]1 ZINC000542708295 1199008454 /nfs/dbraw/zinc/00/84/54/1199008454.db2.gz YJPSKTVHOAZDGQ-UHFFFAOYSA-N 0 0 385.428 0.818 10 0 GCAERN C[C@@H](C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1)n1nnnc1C(C)(C)C ZINC000542708310 1199010182 /nfs/dbraw/zinc/01/01/82/1199010182.db2.gz XVSXSUFSOSDCBV-ZDUSSCGKSA-N 0 0 387.492 0.736 10 0 GCAERN COc1cc(CNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)ccc1OCC(N)=O ZINC000465674375 1199018751 /nfs/dbraw/zinc/01/87/51/1199018751.db2.gz CHFQDWJQEGTTHC-IBGZPJMESA-N 0 0 390.440 0.371 10 0 GCAERN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000465765507 1199057480 /nfs/dbraw/zinc/05/74/80/1199057480.db2.gz YIUGAMCOOJCPEG-FZKQIMNGSA-N 0 0 394.497 0.967 10 0 GCAERN Cc1nccn1CCNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000542813006 1199062761 /nfs/dbraw/zinc/06/27/61/1199062761.db2.gz GOCQFLIPQVMBJB-UHFFFAOYSA-N 0 0 389.481 0.978 10 0 GCAERN Cc1cc(N2CCC[C@H](N3CCN(C(=O)Cc4cc[nH]n4)CC3)C2=O)n(C)n1 ZINC000542814269 1199063141 /nfs/dbraw/zinc/06/31/41/1199063141.db2.gz VOIMSGCUMGVCBL-INIZCTEOSA-N 0 0 385.472 0.334 10 0 GCAERN CCOC[C@H]1C(=O)N([C@@H]2CCN(C(=O)COc3ccccc3)C2)C(=O)N1C ZINC000672086490 1199077378 /nfs/dbraw/zinc/07/73/78/1199077378.db2.gz CRUJPBLXSCLVPA-ZBFHGGJFSA-N 0 0 375.425 0.965 10 0 GCAERN Cc1nc2n(n1)CCN(C(=O)C(=O)N[C@@H]1CCc3nc(C(C)(C)C)cn3C1)C2 ZINC000672085587 1199077769 /nfs/dbraw/zinc/07/77/69/1199077769.db2.gz QBUBYVCEBAKGGN-CYBMUJFWSA-N 0 0 385.472 0.554 10 0 GCAERN Cc1nc(N2CCOCC2)ccc1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000269255941 1199111971 /nfs/dbraw/zinc/11/19/71/1199111971.db2.gz GDKNKMXXSOJPJX-ZDUSSCGKSA-N 0 0 383.474 0.382 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H]2CCc3cncn3C2)c1 ZINC000672145032 1199135241 /nfs/dbraw/zinc/13/52/41/1199135241.db2.gz SMGANVVXZLZISE-HNNXBMFYSA-N 0 0 390.465 0.885 10 0 GCAERN CC[C@@H](CNC(=O)c1cn2cccnc2n1)NC(=O)c1cn2cccnc2n1 ZINC000110715791 1199137954 /nfs/dbraw/zinc/13/79/54/1199137954.db2.gz RRCVNLMFGPQOBE-LBPRGKRZSA-N 0 0 378.396 0.710 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cn(C)c1=O ZINC000542887315 1199139328 /nfs/dbraw/zinc/13/93/28/1199139328.db2.gz BSPQVMYNYQLOPY-UHFFFAOYSA-N 0 0 388.468 0.883 10 0 GCAERN COC(=O)[C@@H](C1CC1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000542914813 1199153973 /nfs/dbraw/zinc/15/39/73/1199153973.db2.gz NXBLWSFVZHZXPI-OAHLLOKOSA-N 0 0 378.454 0.821 10 0 GCAERN O=C(Nc1cccc(CCCO)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000542917436 1199155981 /nfs/dbraw/zinc/15/59/81/1199155981.db2.gz FJYKWIMRJUBCEH-GDBMZVCRSA-N 0 0 380.466 0.586 10 0 GCAERN CNC(=O)[C@H]1CN(C(=O)[C@@H](NC(=O)NCc2ccc(F)cc2)C(C)C)CCO1 ZINC000542918197 1199156439 /nfs/dbraw/zinc/15/64/39/1199156439.db2.gz XYOWNOIWOMTWBB-CVEARBPZSA-N 0 0 394.447 0.623 10 0 GCAERN C[C@H](CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccncc1 ZINC000672231413 1199166892 /nfs/dbraw/zinc/16/68/92/1199166892.db2.gz DMMJJDRXXXHDPZ-DPHITLOKSA-N 0 0 386.412 0.048 10 0 GCAERN COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C)C2 ZINC000672268472 1199181536 /nfs/dbraw/zinc/18/15/36/1199181536.db2.gz QBLLYYJOXRIMQI-IUODEOHRSA-N 0 0 375.425 0.194 10 0 GCAERN COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C)C2 ZINC000672268475 1199181563 /nfs/dbraw/zinc/18/15/63/1199181563.db2.gz QBLLYYJOXRIMQI-WFASDCNBSA-N 0 0 375.425 0.194 10 0 GCAERN O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)C(=O)N1CCSC[C@H]1CCO ZINC000672339484 1199212525 /nfs/dbraw/zinc/21/25/25/1199212525.db2.gz KKXBXDUAXWLOHM-ZIAGYGMSSA-N 0 0 399.463 0.986 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1 ZINC000672340436 1199212812 /nfs/dbraw/zinc/21/28/12/1199212812.db2.gz LFDAPNIKPXNZGA-IUODEOHRSA-N 0 0 394.422 0.739 10 0 GCAERN O=C(NCCOC[C@@H]1CCOC1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000672372831 1199219432 /nfs/dbraw/zinc/21/94/32/1199219432.db2.gz KOLHAMIDUAMWPS-MRXNPFEDSA-N 0 0 395.500 0.407 10 0 GCAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2ccccc2OCCO)CC1 ZINC000465957402 1199226366 /nfs/dbraw/zinc/22/63/66/1199226366.db2.gz QCBRKBIRDHSVBV-OAHLLOKOSA-N 0 0 390.484 0.552 10 0 GCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC(=O)N[C@H]3CCCC[C@H]31)CC2 ZINC000672418729 1199231722 /nfs/dbraw/zinc/23/17/22/1199231722.db2.gz HPYQYHZLOLYCOD-HZSPNIEDSA-N 0 0 388.472 0.102 10 0 GCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC3(C1)CCOCC3)CC2 ZINC000672419248 1199231732 /nfs/dbraw/zinc/23/17/32/1199231732.db2.gz SRJATRLFDVZWBO-CQSZACIVSA-N 0 0 375.473 0.862 10 0 GCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCOCC3(CCC3)C1)CC2 ZINC000672419130 1199232074 /nfs/dbraw/zinc/23/20/74/1199232074.db2.gz BOJCNXMXOCPVDR-AWEZNQCLSA-N 0 0 375.473 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1200062304 /nfs/dbraw/zinc/06/23/04/1200062304.db2.gz MIPOXUUWOGOBNC-UHFFFAOYSA-N 0 0 376.457 0.702 10 0 GCAERN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCO[C@@H](CC(N)=O)C3)ccc21 ZINC000625613299 1200091577 /nfs/dbraw/zinc/09/15/77/1200091577.db2.gz JQRTVHYNENCACJ-AWEZNQCLSA-N 0 0 381.454 0.251 10 0 GCAERN CC(=O)N1c2ccc(S(=O)(=O)N3CCO[C@H](CC(N)=O)C3)cc2C[C@@H]1C ZINC000625612883 1200092936 /nfs/dbraw/zinc/09/29/36/1200092936.db2.gz HLCHTLICNREAJX-SMDDNHRTSA-N 0 0 381.454 0.249 10 0 GCAERN Cc1cc(C(=O)CN2CCN(C3CC3)C(=O)C2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000674008326 1200094005 /nfs/dbraw/zinc/09/40/05/1200094005.db2.gz AYABFUORALAAFX-INIZCTEOSA-N 0 0 393.509 0.954 10 0 GCAERN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN(C2CC2)C(=O)C1 ZINC000674008743 1200094542 /nfs/dbraw/zinc/09/45/42/1200094542.db2.gz PRNJIKBSKWVKRZ-ZDUSSCGKSA-N 0 0 394.497 0.571 10 0 GCAERN C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN2CCOC[C@H]2C1 ZINC000543558711 1200128435 /nfs/dbraw/zinc/12/84/35/1200128435.db2.gz 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/nfs/dbraw/zinc/57/55/45/1201575545.db2.gz RYYAXPNFVBVNSI-IORUMNFESA-N 0 0 381.473 0.994 10 0 GCAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cc(Cl)nc(N(C)C)c2)CC1 ZINC000733124774 1201576295 /nfs/dbraw/zinc/57/62/95/1201576295.db2.gz AULIZOSUCXZXNL-UHFFFAOYSA-N 0 0 381.864 0.610 10 0 GCAERN COC[C@@]1(C)NC(=O)N(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)C1=O ZINC000733295796 1201584391 /nfs/dbraw/zinc/58/43/91/1201584391.db2.gz DFDHVJYBCWHKOR-KBXCAEBGSA-N 0 0 378.404 0.777 10 0 GCAERN CC[S@@](=O)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000733878632 1201610606 /nfs/dbraw/zinc/61/06/06/1201610606.db2.gz ILVUBHRTWOEAOG-WGDIFIGCSA-N 0 0 381.454 0.347 10 0 GCAERN COc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1 ZINC000733913446 1201632943 /nfs/dbraw/zinc/63/29/43/1201632943.db2.gz ONLPMLGVRMMARD-UHFFFAOYSA-N 0 0 391.453 0.674 10 0 GCAERN CC[S@](=O)CCNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000733961133 1201634727 /nfs/dbraw/zinc/63/47/27/1201634727.db2.gz RFLHCGYVWQPTIK-NRRJATNASA-N 0 0 378.450 0.960 10 0 GCAERN COC(=O)C(C)(C)NC(=O)Cn1nc(Br)c(Br)n1 ZINC000824113070 1201636782 /nfs/dbraw/zinc/63/67/82/1201636782.db2.gz NPQVIHCOXFAVRF-UHFFFAOYSA-N 0 0 384.028 0.871 10 0 GCAERN COC1(OC)CCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@H]1O ZINC000824277611 1201640484 /nfs/dbraw/zinc/64/04/84/1201640484.db2.gz KMVNMKCRECXSMS-MRXNPFEDSA-N 0 0 377.441 0.808 10 0 GCAERN CO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1S(=O)(=O)NC[C@H](O)C1CC1 ZINC000824304138 1201642081 /nfs/dbraw/zinc/64/20/81/1201642081.db2.gz YAVMASTUGKVJFL-GVDBMIGSSA-N 0 0 398.481 0.713 10 0 GCAERN COc1ccc(F)c(CN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1 ZINC000824628586 1201647581 /nfs/dbraw/zinc/64/75/81/1201647581.db2.gz DYRJQFYQKVSOEP-UHFFFAOYSA-N 0 0 379.479 0.924 10 0 GCAERN COc1ccc(C(=O)N2CC(S(N)(=O)=O)C2)c(I)c1 ZINC000824631509 1201647724 /nfs/dbraw/zinc/64/77/24/1201647724.db2.gz FZCVPWZFRYNWLS-UHFFFAOYSA-N 0 0 396.206 0.413 10 0 GCAERN CC[S@@](=O)CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC000735116234 1201679126 /nfs/dbraw/zinc/67/91/26/1201679126.db2.gz DOYLEYDXYVGUTA-WXTAPIANSA-N 0 0 377.466 0.870 10 0 GCAERN CC[S@](=O)CCNC(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000735113631 1201679390 /nfs/dbraw/zinc/67/93/90/1201679390.db2.gz VFAQOUUATCXWBD-JUYBDXISSA-N 0 0 386.562 0.777 10 0 GCAERN C[C@@H](NC(=O)COC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1)C(=O)N(C)C ZINC000735170150 1201681697 /nfs/dbraw/zinc/68/16/97/1201681697.db2.gz YRMCVAANIKYCSU-VLIAUNLRSA-N 0 0 389.452 0.817 10 0 GCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000735199023 1201682954 /nfs/dbraw/zinc/68/29/54/1201682954.db2.gz ZHZYKDWFFZQZEO-SANMLTNESA-N 0 0 376.442 0.498 10 0 GCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C ZINC000735200411 1201683255 /nfs/dbraw/zinc/68/32/55/1201683255.db2.gz QHJFEOFRESMTPQ-SANMLTNESA-N 0 0 383.470 0.285 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000735202655 1201683331 /nfs/dbraw/zinc/68/33/31/1201683331.db2.gz YXMXZCULEODJJO-AREMUKBSSA-N 0 0 393.387 0.802 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1OC(F)F ZINC000735201438 1201683336 /nfs/dbraw/zinc/68/33/36/1201683336.db2.gz OWQSHQAEHPNTMG-AREMUKBSSA-N 0 0 392.380 0.898 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000735199844 1201683456 /nfs/dbraw/zinc/68/34/56/1201683456.db2.gz PJRGBNKYWGXVDZ-QFDBLCPBSA-N 0 0 382.486 0.519 10 0 GCAERN Cn1cc(N2CC[C@@H](NC(=O)CCC(=O)N3CCOc4ccccc43)C2=O)cn1 ZINC000735477837 1201689463 /nfs/dbraw/zinc/68/94/63/1201689463.db2.gz VKSHPMVLDCTIPD-OAHLLOKOSA-N 0 0 397.435 0.847 10 0 GCAERN Cc1nnc(CN2CCN([C@@H](C)C(=O)Nc3sccc3C(N)=O)CC2)[nH]1 ZINC000735872767 1201703478 /nfs/dbraw/zinc/70/34/78/1201703478.db2.gz UYPUTZNGDOEDIJ-JTQLQIEISA-N 0 0 377.474 0.418 10 0 GCAERN O=C([C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N1CCN([C@@H]2CCOC2)CC1 ZINC000827610838 1201704675 /nfs/dbraw/zinc/70/46/75/1201704675.db2.gz ACGUNPZZFKRUGJ-HLLBOEOZSA-N 0 0 388.386 0.731 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)[nH]1 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ZINC000737214705 1201724240 /nfs/dbraw/zinc/72/42/40/1201724240.db2.gz MFOLWJCNQPCNKM-AREMUKBSSA-N 0 0 397.478 0.705 10 0 GCAERN COC(=O)c1ccc(=O)n(CN2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000739852598 1201743015 /nfs/dbraw/zinc/74/30/15/1201743015.db2.gz OGSGNQVFPMSCTR-UHFFFAOYSA-N 0 0 392.362 0.724 10 0 GCAERN COC(=O)c1ccc(=O)n(CN2CCCc3cc(S(C)(=O)=O)ccc32)n1 ZINC000739836044 1201743242 /nfs/dbraw/zinc/74/32/42/1201743242.db2.gz HCZCJTWMUIBAHF-UHFFFAOYSA-N 0 0 377.422 0.844 10 0 GCAERN COC(=O)c1ccc(=O)n(CN2CCN(C(=O)c3ccccc3OC)CC2)n1 ZINC000739837219 1201743447 /nfs/dbraw/zinc/74/34/47/1201743447.db2.gz LLHAKGXCEZLHOL-UHFFFAOYSA-N 0 0 386.408 0.454 10 0 GCAERN O=C(Nc1ccnn1-c1ccccc1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000179337212 1201744877 /nfs/dbraw/zinc/74/48/77/1201744877.db2.gz IGTBAKTZCFFING-UHFFFAOYSA-N 0 0 377.408 0.950 10 0 GCAERN C[C@@H]1Oc2ccc(C(=O)COC(=O)CNC(=O)c3ccccn3)cc2NC1=O ZINC000740327818 1201746164 /nfs/dbraw/zinc/74/61/64/1201746164.db2.gz NTPKBYWJGDWEBT-NSHDSACASA-N 0 0 383.360 0.957 10 0 GCAERN Cc1nn(C)c(C)c1CCCNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000179789823 1201773796 /nfs/dbraw/zinc/77/37/96/1201773796.db2.gz YJORAGDOUXVVDL-UHFFFAOYSA-N 0 0 397.487 0.939 10 0 GCAERN CS(=O)(=O)CCOCCNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000741622605 1201781169 /nfs/dbraw/zinc/78/11/69/1201781169.db2.gz PPTATTDTHSOSLT-OAHLLOKOSA-N 0 0 384.454 0.595 10 0 GCAERN COC[C@@](C)(NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(F)(F)F ZINC000742901526 1201810506 /nfs/dbraw/zinc/81/05/06/1201810506.db2.gz ZKXOJUPIBINQDH-NOZJJQNGSA-N 0 0 399.391 0.236 10 0 GCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)OC)c1 ZINC000743914823 1201825933 /nfs/dbraw/zinc/82/59/33/1201825933.db2.gz QKDBRAFKCZRCJI-SANMLTNESA-N 0 0 384.410 0.083 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000743912986 1201825937 /nfs/dbraw/zinc/82/59/37/1201825937.db2.gz BJBDHIUULUKZKG-HHHXNRCGSA-N 0 0 394.432 0.502 10 0 GCAERN CC(C)(C)OC(=O)N1CCN(CCNC(=O)NC[C@H](O)C(F)(F)F)CC1 ZINC000744894991 1201857518 /nfs/dbraw/zinc/85/75/18/1201857518.db2.gz GGLOKBJDZYFIPQ-NSHDSACASA-N 0 0 384.399 0.762 10 0 GCAERN CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)N(C)C ZINC000745432631 1201875143 /nfs/dbraw/zinc/87/51/43/1201875143.db2.gz BQKZHRCTMBPJBT-MRXNPFEDSA-N 0 0 398.481 0.818 10 0 GCAERN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCC(=O)NCCc1cccc2cccnc21 ZINC000745745702 1201889457 /nfs/dbraw/zinc/88/94/57/1201889457.db2.gz LADHDGXDXWQUAA-ACJLOTCBSA-N 0 0 399.447 0.712 10 0 GCAERN Cc1ccc2[nH]c(CNC(=O)NCCS(=O)(=O)N3CCOCC3)nc2c1 ZINC000745789847 1201890261 /nfs/dbraw/zinc/89/02/61/1201890261.db2.gz QYBQPMWKWRDATM-UHFFFAOYSA-N 0 0 381.458 0.333 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000746210309 1201902926 /nfs/dbraw/zinc/90/29/26/1201902926.db2.gz OMGOWSQQCQMIDQ-SFHVURJKSA-N 0 0 389.477 0.977 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@@H](O)COc1ccc(F)cc1 ZINC000626116514 1201907050 /nfs/dbraw/zinc/90/70/50/1201907050.db2.gz CLUSEASKDVCXGE-CQSZACIVSA-N 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NLYFEFKYFJREHD-GFCCVEGCSA-N 0 0 375.441 0.985 10 0 GCAERN C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000329082906 530606110 /nfs/dbraw/zinc/60/61/10/530606110.db2.gz DXXXETHYTDBUNN-QEOTZNIISA-N 0 0 375.535 0.914 10 0 GCAERN O=C(CSc1nnnn1CC(F)(F)F)N1CCC[C@@H](n2cncn2)C1 ZINC000329143783 530606903 /nfs/dbraw/zinc/60/69/03/530606903.db2.gz MJUMRIOWZXQXDV-SECBINFHSA-N 0 0 376.368 0.783 10 0 GCAERN C[C@@H]1CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC(=O)N1 ZINC000453044203 530607465 /nfs/dbraw/zinc/60/74/65/530607465.db2.gz OLVWYNNGORRQPR-SECBINFHSA-N 0 0 394.225 0.782 10 0 GCAERN CO[C@@H](C)[C@@H](C)NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000454977071 530612705 /nfs/dbraw/zinc/61/27/05/530612705.db2.gz WYACELHMAFKBRR-MNOVXSKESA-N 0 0 377.438 0.917 10 0 GCAERN O=C(CNS(=O)(=O)c1cccs1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329506018 530613689 /nfs/dbraw/zinc/61/36/89/530613689.db2.gz WTKGTLHGLNFWDI-ZDUSSCGKSA-N 0 0 385.511 0.887 10 0 GCAERN CCOC[C@@H](C)CS(=O)(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000451554436 530584320 /nfs/dbraw/zinc/58/43/20/530584320.db2.gz FHVISOFOAGQHOF-KGLIPLIRSA-N 0 0 382.548 0.783 10 0 GCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)CC2(CC(=O)OC)CC2)CC12COC2 ZINC000451617192 530584606 /nfs/dbraw/zinc/58/46/06/530584606.db2.gz AMYVFHBZOXVFEJ-GFCCVEGCSA-N 0 0 375.443 0.171 10 0 GCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)CCCCCC(=O)OC)CC12COC2 ZINC000451618412 530584749 /nfs/dbraw/zinc/58/47/49/530584749.db2.gz FBABCTDBZJXNAF-ZDUSSCGKSA-N 0 0 377.459 0.561 10 0 GCAERN CCOC(=O)CC1(S(=O)(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)CC1 ZINC000451619654 530585761 /nfs/dbraw/zinc/58/57/61/530585761.db2.gz JWSNMSOQVUKXAI-GFCCVEGCSA-N 0 0 375.443 0.314 10 0 GCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cc1ccc(Br)s1 ZINC000114328367 530586744 /nfs/dbraw/zinc/58/67/44/530586744.db2.gz GWAPLRUHDXLZIW-JTQLQIEISA-N 0 0 388.287 0.906 10 0 GCAERN COc1cc(CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)ccn1 ZINC000330079130 530625508 /nfs/dbraw/zinc/62/55/08/530625508.db2.gz IMNVBOVFRQUGOC-UHFFFAOYSA-N 0 0 377.488 0.181 10 0 GCAERN O=C(NCCOc1cccc(Br)c1)NC[C@H](O)Cn1ccnn1 ZINC000457939488 530627273 /nfs/dbraw/zinc/62/72/73/530627273.db2.gz HFWSKBHHKIAPHI-LBPRGKRZSA-N 0 0 384.234 0.780 10 0 GCAERN COc1ccc(Br)c(CNC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000457892636 530627423 /nfs/dbraw/zinc/62/74/23/530627423.db2.gz YPBDGCRRIOANRT-LLVKDONJSA-N 0 0 384.234 0.910 10 0 GCAERN CC[C@H](O)CN1CCN(S(=O)(=O)CC[C@H]2CCCCN2C(C)=O)CC1 ZINC000330177618 530628393 /nfs/dbraw/zinc/62/83/93/530628393.db2.gz DBQSNQYKWPHUNO-SJORKVTESA-N 0 0 375.535 0.496 10 0 GCAERN CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)C1 ZINC000330177675 530628645 /nfs/dbraw/zinc/62/86/45/530628645.db2.gz DDHINNMPMWPESJ-GJZGRUSLSA-N 0 0 395.547 0.121 10 0 GCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000330180042 530628759 /nfs/dbraw/zinc/62/87/59/530628759.db2.gz FRRUSRVAEFWKLF-HLLBOEOZSA-N 0 0 375.535 0.494 10 0 GCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)CC1 ZINC000330201232 530629001 /nfs/dbraw/zinc/62/90/01/530629001.db2.gz XLIIEADBXSOTTP-IRXDYDNUSA-N 0 0 375.535 0.496 10 0 GCAERN O=C(NC[C@@H](O)Cn1ccnn1)c1ccc(I)c(F)c1 ZINC000458151802 530629530 /nfs/dbraw/zinc/62/95/30/530629530.db2.gz XALZXUPHVIXBOS-SECBINFHSA-N 0 0 390.156 0.813 10 0 GCAERN COC(=O)c1cc(Br)cc(C(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458152811 530629588 /nfs/dbraw/zinc/62/95/88/530629588.db2.gz XVFPKCCMZYVLMT-GFCCVEGCSA-N 0 0 383.202 0.618 10 0 GCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000330217908 530629634 /nfs/dbraw/zinc/62/96/34/530629634.db2.gz OGMKGFUAMYXTNO-HIFRSBDPSA-N 0 0 380.532 0.474 10 0 GCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000330217909 530629878 /nfs/dbraw/zinc/62/98/78/530629878.db2.gz OGMKGFUAMYXTNO-UKRRQHHQSA-N 0 0 380.532 0.474 10 0 GCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC000330209194 530629890 /nfs/dbraw/zinc/62/98/90/530629890.db2.gz HJELZTQTLNYXMR-UKRRQHHQSA-N 0 0 380.532 0.616 10 0 GCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCS(=O)(=O)CC[C@@H]1C ZINC000330209195 530630003 /nfs/dbraw/zinc/63/00/03/530630003.db2.gz HJELZTQTLNYXMR-ZFWWWQNUSA-N 0 0 380.532 0.616 10 0 GCAERN COc1ccc(CNC(=O)NC[C@H](O)Cn2ccnn2)cc1Br ZINC000458188457 530630278 /nfs/dbraw/zinc/63/02/78/530630278.db2.gz AKGQMZFTRNYWOD-NSHDSACASA-N 0 0 384.234 0.910 10 0 GCAERN O=C(NCCOc1ncc(Cl)cc1Cl)NC[C@H](O)Cn1ccnn1 ZINC000458590366 530632364 /nfs/dbraw/zinc/63/23/64/530632364.db2.gz WEQRXFDWYBDGJP-JTQLQIEISA-N 0 0 375.216 0.719 10 0 GCAERN COC(=O)C1(O)CCN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000580664267 530616764 /nfs/dbraw/zinc/61/67/64/530616764.db2.gz IDVVSVOCFGOEEM-UHFFFAOYSA-N 0 0 381.332 0.627 10 0 GCAERN C[C@@H]1C[C@H](S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)CCO1 ZINC000329642064 530617350 /nfs/dbraw/zinc/61/73/50/530617350.db2.gz ZZRFNOGDCBTPLL-JHJVBQTASA-N 0 0 380.557 0.834 10 0 GCAERN C[C@@H]1C[C@@H](S(=O)(=O)N2CSC[C@H]2C(=O)N2CCSCC2)CCO1 ZINC000329642062 530617769 /nfs/dbraw/zinc/61/77/69/530617769.db2.gz ZZRFNOGDCBTPLL-AGIUHOORSA-N 0 0 380.557 0.834 10 0 GCAERN C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCCF ZINC000367130064 530619989 /nfs/dbraw/zinc/61/99/89/530619989.db2.gz CMYMXZBTPWWCQD-NWDGAFQWSA-N 0 0 391.490 0.882 10 0 GCAERN COc1ccccc1N1CC[C@H](NS(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000329784475 530620650 /nfs/dbraw/zinc/62/06/50/530620650.db2.gz VZYXSTBCAVNOGW-ZDUSSCGKSA-N 0 0 388.511 0.771 10 0 GCAERN Cn1ncc(NCCCN2CCS(=O)(=O)CC2)c(Br)c1=O ZINC000302039139 530680932 /nfs/dbraw/zinc/68/09/32/530680932.db2.gz VWWBGUYGXLBPDB-UHFFFAOYSA-N 0 0 379.280 0.075 10 0 GCAERN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000333500284 530659892 /nfs/dbraw/zinc/65/98/92/530659892.db2.gz VQCXMHITQBZAHD-QJPTWQEYSA-N 0 0 387.424 0.755 10 0 GCAERN CN(C)c1cc(NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)ncc1Br ZINC000333641663 530661487 /nfs/dbraw/zinc/66/14/87/530661487.db2.gz IXEBAYSVNZYSLC-OCAPTIKFSA-N 0 0 382.218 0.646 10 0 GCAERN CO[C@H]1C[C@H](C(=O)N2CCSC[C@H]2c2cnn(C)c2)N(S(C)(=O)=O)C1 ZINC000333575112 530661520 /nfs/dbraw/zinc/66/15/20/530661520.db2.gz QKBIFJBMVAKEHT-MJBXVCDLSA-N 0 0 388.515 0.086 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000465496579 530666472 /nfs/dbraw/zinc/66/64/72/530666472.db2.gz LUTJMBQABYTWJB-JSGCOSHPSA-N 0 0 390.483 0.469 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC000465496577 530666613 /nfs/dbraw/zinc/66/66/13/530666613.db2.gz LUTJMBQABYTWJB-GXTWGEPZSA-N 0 0 390.483 0.469 10 0 GCAERN CN(Cc1nnnn1C)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000466258617 530668551 /nfs/dbraw/zinc/66/85/51/530668551.db2.gz VVWXHFVLYQONRH-UHFFFAOYSA-N 0 0 396.249 0.544 10 0 GCAERN CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000466676997 530670287 /nfs/dbraw/zinc/67/02/87/530670287.db2.gz IFPRABAAUCYTJS-UHFFFAOYSA-N 0 0 397.233 0.968 10 0 GCAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000466670836 530670348 /nfs/dbraw/zinc/67/03/48/530670348.db2.gz KIVCEEUDYXMKDQ-UHFFFAOYSA-N 0 0 397.233 0.887 10 0 GCAERN CN(Cc1nnnn1C)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000466860528 530671216 /nfs/dbraw/zinc/67/12/16/530671216.db2.gz BPAFWTNACNVJMU-SNVBAGLBSA-N 0 0 393.245 0.984 10 0 GCAERN CSC[C@H](C(=O)NC[C@H](O)C(F)(F)F)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000467631904 530676123 /nfs/dbraw/zinc/67/61/23/530676123.db2.gz ZFJUUZCHIMSBMQ-MMWGEVLESA-N 0 0 382.404 0.933 10 0 GCAERN O=C(CN1CCOCC1=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000468392073 530679595 /nfs/dbraw/zinc/67/95/95/530679595.db2.gz KACDIULTFIKDHM-ZDUSSCGKSA-N 0 0 385.258 0.575 10 0 GCAERN O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCCc1nnc[nH]1 ZINC000469145846 530686155 /nfs/dbraw/zinc/68/61/55/530686155.db2.gz ZGXDNXLCMNVICA-UHFFFAOYSA-N 0 0 392.213 0.912 10 0 GCAERN CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000105638859 530686306 /nfs/dbraw/zinc/68/63/06/530686306.db2.gz MTVMQCBWDGFMAY-AWEZNQCLSA-N 0 0 390.527 0.725 10 0 GCAERN COCCOc1ccc(F)cc1S(=O)(=O)N1CCN(CCCO)CC1 ZINC000469301052 530687827 /nfs/dbraw/zinc/68/78/27/530687827.db2.gz CZFAEJKTGYVVNN-UHFFFAOYSA-N 0 0 376.450 0.540 10 0 GCAERN COc1c(F)cc(CC(=O)NC[C@](C)(O)CSC)cc1S(N)(=O)=O ZINC000609999351 530689889 /nfs/dbraw/zinc/68/98/89/530689889.db2.gz YZWQUENYLYENLH-AWEZNQCLSA-N 0 0 380.463 0.254 10 0 GCAERN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCSC[C@H]1CCO ZINC000470214040 530693063 /nfs/dbraw/zinc/69/30/63/530693063.db2.gz MKFSJLSYXKHQSI-LLVKDONJSA-N 0 0 389.499 0.081 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)NCC2(S(C)(=O)=O)CCC2)c1 ZINC000474861241 530720798 /nfs/dbraw/zinc/72/07/98/530720798.db2.gz QKFJLKFOBVWLFB-UHFFFAOYSA-N 0 0 375.472 0.684 10 0 GCAERN COC(=O)CNS(=O)(=O)c1cccc(NS(=O)(=O)N2CCC[C@@H]2C)c1 ZINC000471912975 530702009 /nfs/dbraw/zinc/70/20/09/530702009.db2.gz BOMZZRBTOIRMJP-NSHDSACASA-N 0 0 391.471 0.279 10 0 GCAERN CS(=O)(=O)c1cc(NC(=O)N[C@H]2CCCN(CCO)C2=O)ccc1Cl ZINC000471898903 530702277 /nfs/dbraw/zinc/70/22/77/530702277.db2.gz WTCKSXIGVVTRQY-LBPRGKRZSA-N 0 0 389.861 0.848 10 0 GCAERN CO[C@H]1CC[C@@H](NS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000472197918 530702860 /nfs/dbraw/zinc/70/28/60/530702860.db2.gz KEYBIXOTXQLCSV-KGLIPLIRSA-N 0 0 394.490 0.933 10 0 GCAERN CO[C@H]1CC[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000472273721 530703592 /nfs/dbraw/zinc/70/35/92/530703592.db2.gz IPJKNVRSDGIUFX-STQMWFEESA-N 0 0 388.511 0.995 10 0 GCAERN CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000472583590 530706350 /nfs/dbraw/zinc/70/63/50/530706350.db2.gz ABBSCCIZDMIEOW-AWEZNQCLSA-N 0 0 383.536 0.088 10 0 GCAERN CC(=O)NCCN([C@H](C)C(=O)OC(C)(C)C)S(=O)(=O)N1CCC[C@H]1C ZINC000472596309 530706425 /nfs/dbraw/zinc/70/64/25/530706425.db2.gz AMZMZEGEJABYSH-CHWSQXEVSA-N 0 0 377.507 0.884 10 0 GCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000362705549 530706954 /nfs/dbraw/zinc/70/69/54/530706954.db2.gz MEQMASVTCKFTLO-OAHLLOKOSA-N 0 0 383.495 0.716 10 0 GCAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000473249465 530711016 /nfs/dbraw/zinc/71/10/16/530711016.db2.gz MIDXNRKRJGHGBF-BLLLJJGKSA-N 0 0 394.225 0.953 10 0 GCAERN CCS(=O)(=O)c1ccc(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)s1 ZINC000473294961 530711173 /nfs/dbraw/zinc/71/11/73/530711173.db2.gz OVLVBTAJCQSMPE-INIZCTEOSA-N 0 0 384.479 0.771 10 0 GCAERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000473394472 530711318 /nfs/dbraw/zinc/71/13/18/530711318.db2.gz IMIODGBNKXTCOW-WRWGMCAJSA-N 0 0 382.404 0.821 10 0 GCAERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000473392008 530711539 /nfs/dbraw/zinc/71/15/39/530711539.db2.gz STIOQOKJLFCDGS-YUMQZZPRSA-N 0 0 383.348 0.456 10 0 GCAERN Cn1cc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc(Br)c1=O ZINC000473706691 530712833 /nfs/dbraw/zinc/71/28/33/530712833.db2.gz QUGRICVPDOMDGM-NSHDSACASA-N 0 0 387.234 0.253 10 0 GCAERN C[C@@H](NC(=O)CS(=O)(=O)Cc1nc(C(C)(C)C)cs1)C(=O)N(C)C ZINC000476659161 530735631 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379.486 0.728 10 0 GCAERN CSCC[C@H](C(=O)NCc1cn(C)nn1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000611973636 1187184591 /nfs/dbraw/zinc/18/45/91/1187184591.db2.gz CHPJHTRQYGHPCS-MGPQQGTHSA-N 0 0 379.486 0.728 10 0 GCAERN CSCC[C@H](C(=O)NCc1cn(C)nn1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000611973630 1187184817 /nfs/dbraw/zinc/18/48/17/1187184817.db2.gz CHPJHTRQYGHPCS-HZSPNIEDSA-N 0 0 379.486 0.728 10 0 GCAERN COCCN(CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000255626527 1187220298 /nfs/dbraw/zinc/22/02/98/1187220298.db2.gz OOGNNOKAJJLZIG-UKRRQHHQSA-N 0 0 384.502 0.350 10 0 GCAERN Cc1cnn(-c2ccc(C(=O)OCc3nc4c([nH]3)n(C)c(=O)n(C)c4=O)cc2)c1 ZINC000785188322 1187231633 /nfs/dbraw/zinc/23/16/33/1187231633.db2.gz GIKGESNTZRNMQG-UHFFFAOYSA-N 0 0 394.391 0.811 10 0 GCAERN Cn1cc(/C=C\C(=O)NCC(=O)N2CCCc3ccccc32)c(=O)n(C)c1=O ZINC000255638819 1187240839 /nfs/dbraw/zinc/24/08/39/1187240839.db2.gz OOWAXRZYJUSPKK-KTKRTIGZSA-N 0 0 382.420 0.193 10 0 GCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000255668539 1187257127 /nfs/dbraw/zinc/25/71/27/1187257127.db2.gz IUIAJIBHHDSENC-CQSZACIVSA-N 0 0 398.467 0.773 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCN1C[C@@H](C)OC[C@@H]1C ZINC000658422738 1187293696 /nfs/dbraw/zinc/29/36/96/1187293696.db2.gz WAEPAINWGFOAJT-UONOGXRCSA-N 0 0 376.457 0.833 10 0 GCAERN O=C(Nc1ccccc1N1CCOC1=O)C(=O)N1CCSC[C@@H]1CCO ZINC000785220740 1187334747 /nfs/dbraw/zinc/33/47/47/1187334747.db2.gz FJEIPLAEUNNWOT-LBPRGKRZSA-N 0 0 379.438 0.908 10 0 GCAERN O=C(Nc1ccn(Cc2ccccn2)n1)C(=O)N1CCSC[C@H]1CCO ZINC000785222144 1187338103 /nfs/dbraw/zinc/33/81/03/1187338103.db2.gz MCRSPNCLQXBZRO-CQSZACIVSA-N 0 0 375.454 0.591 10 0 GCAERN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000548875221 1187338865 /nfs/dbraw/zinc/33/88/65/1187338865.db2.gz XBGWRMUUMIHNBS-ZIAGYGMSSA-N 0 0 383.470 0.940 10 0 GCAERN O=C(Nc1cccc(CN2CCOC2=O)c1)C(=O)N1CCSC[C@H]1CCO ZINC000785225010 1187342298 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CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3COC[C@H]3C2)CC12CCCCC2 ZINC000658700543 1187417048 /nfs/dbraw/zinc/41/70/48/1187417048.db2.gz RWRPEFVJNSJLIJ-IAGOWNOFSA-N 0 0 377.485 0.875 10 0 GCAERN CC(=O)N(Cc1ccc(NC(=O)C(=O)N2CCC(=O)N(C)CC2)cc1)C1CC1 ZINC000658716788 1187424087 /nfs/dbraw/zinc/42/40/87/1187424087.db2.gz XEJMRHRQDDXYBW-UHFFFAOYSA-N 0 0 386.452 0.827 10 0 GCAERN C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000569816689 1187456387 /nfs/dbraw/zinc/45/63/87/1187456387.db2.gz CDFLWHIRHYDOTH-MAUKXSAKSA-N 0 0 386.452 0.546 10 0 GCAERN CCC(CC)(NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(=O)OC ZINC000548918118 1187465122 /nfs/dbraw/zinc/46/51/22/1187465122.db2.gz AXTIAZGJNYWVHK-UHFFFAOYSA-N 0 0 390.433 0.872 10 0 GCAERN CC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000612468522 1187502094 /nfs/dbraw/zinc/50/20/94/1187502094.db2.gz ZJPSVPHKSGTXHF-IAGOWNOFSA-N 0 0 375.473 0.328 10 0 GCAERN O=S(=O)(N1CCOCC1)N1CCN(Cn2cc(-c3ccccc3)cn2)CC1 ZINC000065941227 1187503571 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CCPOQKSNPUFABP-SNPRPXQTSA-N 0 0 396.465 0.560 10 0 GCAERN C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000472510433 1187669865 /nfs/dbraw/zinc/66/98/65/1187669865.db2.gz CCPOQKSNPUFABP-BPLDGKMQSA-N 0 0 396.465 0.560 10 0 GCAERN COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](OC)C2)cc1C(=O)OC ZINC000472513853 1187672106 /nfs/dbraw/zinc/67/21/06/1187672106.db2.gz GKIKBZFJCAXIPM-ZYHUDNBSSA-N 0 0 378.381 0.882 10 0 GCAERN COC(=O)Cc1csc(NC(=O)CN2CCN(Cc3nnc(C)[nH]3)CC2)n1 ZINC000613175842 1187689663 /nfs/dbraw/zinc/68/96/63/1187689663.db2.gz JRQJPAFMODGLKN-UHFFFAOYSA-N 0 0 393.473 0.041 10 0 GCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 ZINC000472528505 1187703847 /nfs/dbraw/zinc/70/38/47/1187703847.db2.gz LPQOEXLGKQYVBR-IRXDYDNUSA-N 0 0 388.468 0.696 10 0 GCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC000472532920 1187710233 /nfs/dbraw/zinc/71/02/33/1187710233.db2.gz LKKYIEQUAKLOQS-KBPBESRZSA-N 0 0 383.470 0.996 10 0 GCAERN CC(=O)N1CCN(Cc2ccc(NC(=O)[C@@H]3CCN=C4C3=NNN4C)cc2)CC1 ZINC000613288061 1187714898 /nfs/dbraw/zinc/71/48/98/1187714898.db2.gz LPHQIKKWKTVWKY-QGZVFWFLSA-N 0 0 397.483 0.514 10 0 GCAERN NS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2COc3ccc(F)cc3C2)cc1 ZINC000685868320 1187715928 /nfs/dbraw/zinc/71/59/28/1187715928.db2.gz XESHFYGXDCOUTB-ZDUSSCGKSA-N 0 0 380.397 0.972 10 0 GCAERN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CC[C@H](OC)C1)CC2 ZINC000472535877 1187723753 /nfs/dbraw/zinc/72/37/53/1187723753.db2.gz DRSYSFPMFSVGRP-KGLIPLIRSA-N 0 0 395.481 0.558 10 0 GCAERN C#CCN(CC(=O)Nc1ccc(C(=O)OCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538379 1187727214 /nfs/dbraw/zinc/72/72/14/1187727214.db2.gz KEGLVDLWUQPHKN-MRXNPFEDSA-N 0 0 378.450 0.924 10 0 GCAERN C#CCN(C[C@@H](O)COc1ccc(C(C)=O)cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000066538601 1187727223 /nfs/dbraw/zinc/72/72/23/1187727223.db2.gz XMELXGOMWZCJBB-IAGOWNOFSA-N 0 0 395.477 0.760 10 0 GCAERN C#CCN(CC(=O)NCCOc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000066538981 1187727684 /nfs/dbraw/zinc/72/76/84/1187727684.db2.gz ZFEGFJYLVRKGLQ-AWEZNQCLSA-N 0 0 394.449 0.033 10 0 GCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000511503235 1187737515 /nfs/dbraw/zinc/73/75/15/1187737515.db2.gz HGITULIATBGSNB-CYBMUJFWSA-N 0 0 382.446 0.204 10 0 GCAERN C[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1F ZINC000174336219 1187753397 /nfs/dbraw/zinc/75/33/97/1187753397.db2.gz HWZZYJDGNFJNGE-JTQLQIEISA-N 0 0 391.378 0.632 10 0 GCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)C1 ZINC000472546429 1187755646 /nfs/dbraw/zinc/75/56/46/1187755646.db2.gz YUIPHAUEPMYSAI-IAGOWNOFSA-N 0 0 389.452 0.710 10 0 GCAERN O=C(CN1CCN(Cc2ccccc2)CC1)N1CCN(c2cccnn2)CC1 ZINC000170631784 1187758493 /nfs/dbraw/zinc/75/84/93/1187758493.db2.gz KELXNODGSZGGTP-UHFFFAOYSA-N 0 0 380.496 0.943 10 0 GCAERN Cc1nc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c[nH]1 ZINC000376316407 1187759516 /nfs/dbraw/zinc/75/95/16/1187759516.db2.gz LGTBEOVUDLWDKU-OLZOCXBDSA-N 0 0 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1188014161 /nfs/dbraw/zinc/01/41/61/1188014161.db2.gz MEARBMHWUVBGAE-HNNXBMFYSA-N 0 0 397.520 0.836 10 0 GCAERN CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@@H]2COC(=O)C2)n1 ZINC000328638954 1188114998 /nfs/dbraw/zinc/11/49/98/1188114998.db2.gz PGSCYXYVVQIQHG-IHRRRGAJSA-N 0 0 379.436 0.871 10 0 GCAERN COc1ccc(NC(=O)C(=O)N(C)Cc2cc(C)on2)cc1-n1nnnc1C ZINC000549323264 1188126609 /nfs/dbraw/zinc/12/66/09/1188126609.db2.gz YHZZJDINCRYNKD-UHFFFAOYSA-N 0 0 385.384 0.873 10 0 GCAERN NC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000377792828 1188139072 /nfs/dbraw/zinc/13/90/72/1188139072.db2.gz ZHTZSCZHBICGBG-UHFFFAOYSA-N 0 0 386.387 0.392 10 0 GCAERN NC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2-n2cccn2)C1 ZINC000472875562 1188150683 /nfs/dbraw/zinc/15/06/83/1188150683.db2.gz HRANRKWCZQYNDX-NSHDSACASA-N 0 0 376.804 0.733 10 0 GCAERN Cc1ccc2cc(C(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)[nH]c2c1 ZINC000408056885 1188162877 /nfs/dbraw/zinc/16/28/77/1188162877.db2.gz MRLQBVQPWBQYBL-UHFFFAOYSA-N 0 0 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C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000434969443 1194880472 /nfs/dbraw/zinc/88/04/72/1194880472.db2.gz YOVVZXMNPPWIQK-WDEREUQCSA-N 0 0 380.470 0.258 10 0 GCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)N(C)CC(=O)N3CCOCC3)sc2C1 ZINC000434990014 1194881563 /nfs/dbraw/zinc/88/15/63/1194881563.db2.gz GPBLCNHVWJEUND-LLVKDONJSA-N 0 0 380.470 0.524 10 0 GCAERN O=C(Nc1nc2c(s1)CCCCC2)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000435029463 1194884288 /nfs/dbraw/zinc/88/42/88/1194884288.db2.gz MFBXJQLSIWXIKQ-GFCCVEGCSA-N 0 0 380.470 0.450 10 0 GCAERN CN(C)c1nccc(N2CCN([C@H]3CCCN(c4ccn(C)n4)C3=O)CC2)n1 ZINC000435069373 1194886770 /nfs/dbraw/zinc/88/67/70/1194886770.db2.gz YLFQJXSDWWFKCJ-HNNXBMFYSA-N 0 0 384.488 0.594 10 0 GCAERN CC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)C1 ZINC000514608586 1194887288 /nfs/dbraw/zinc/88/72/88/1194887288.db2.gz WRMSHRYUNMJLON-QPWUGHHJSA-N 0 0 378.473 0.718 10 0 GCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435103101 1194889888 /nfs/dbraw/zinc/88/98/88/1194889888.db2.gz XPNWQQVWOZABOZ-FZMZJTMJSA-N 0 0 379.413 0.970 10 0 GCAERN COc1cccc(CCNC(=O)N2CCN(c3cncc4ncnn43)CC2)n1 ZINC000435109516 1194890344 /nfs/dbraw/zinc/89/03/44/1194890344.db2.gz SNMGSCQCZCYAJR-UHFFFAOYSA-N 0 0 382.428 0.602 10 0 GCAERN C[C@H](N1CCN(C(=O)C(=O)NCc2nnc3ccccn32)CC1)C(F)(F)F ZINC000514680968 1194892285 /nfs/dbraw/zinc/89/22/85/1194892285.db2.gz OBKFBKNKVDNVSA-NSHDSACASA-N 0 0 384.362 0.441 10 0 GCAERN CCCc1csc(NC(=O)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)n1 ZINC000435307041 1194915632 /nfs/dbraw/zinc/91/56/32/1194915632.db2.gz PFUXHOZWZOIKQO-VHSXEESVSA-N 0 0 384.458 0.607 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000435308986 1194916147 /nfs/dbraw/zinc/91/61/47/1194916147.db2.gz XLKNAMMEBKEGHK-VHSXEESVSA-N 0 0 398.485 0.952 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000435308983 1194916209 /nfs/dbraw/zinc/91/62/09/1194916209.db2.gz 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ZINC000518560055 1195303763 /nfs/dbraw/zinc/30/37/63/1195303763.db2.gz PWULZNZCBIRJSR-UHFFFAOYSA-N 0 0 387.440 0.231 10 0 GCAERN CCCCNC(=O)CN1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506610871 1195331534 /nfs/dbraw/zinc/33/15/34/1195331534.db2.gz OQFVQIOYTUASSH-QGZVFWFLSA-N 0 0 390.532 0.758 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CO)Cc2ccccc2)c1 ZINC000439624564 1195338569 /nfs/dbraw/zinc/33/85/69/1195338569.db2.gz NPAFYAPRBYCYDN-OAHLLOKOSA-N 0 0 391.449 0.253 10 0 GCAERN Cc1cc(N2CCC[C@H](N3CCN(Cc4nnnn4C4CC4)CC3)C2=O)n(C)n1 ZINC000506653025 1195343508 /nfs/dbraw/zinc/34/35/08/1195343508.db2.gz DWODMTLGQJPOHU-INIZCTEOSA-N 0 0 399.503 0.363 10 0 GCAERN O=C(CNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1)NCCc1ccccc1 ZINC000439701840 1195343759 /nfs/dbraw/zinc/34/37/59/1195343759.db2.gz YQKBHCFMCGATPM-UHFFFAOYSA-N 0 0 394.431 0.837 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)NC2CCN(c3cc(C)[nH]n3)CC2)CC1 ZINC000439831729 1195356141 /nfs/dbraw/zinc/35/61/41/1195356141.db2.gz 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O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000440027599 1195378302 /nfs/dbraw/zinc/37/83/02/1195378302.db2.gz NULQHQTVBDRNEQ-UHFFFAOYSA-N 0 0 384.314 0.552 10 0 GCAERN COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 ZINC000440050135 1195378499 /nfs/dbraw/zinc/37/84/99/1195378499.db2.gz XXDDXDGIZOLVGX-MRXNPFEDSA-N 0 0 389.408 0.134 10 0 GCAERN COCC[C@H](CO)NC(=O)C(=O)Nc1cc(-c2cccc(OC)c2)nn1C ZINC000440098677 1195384562 /nfs/dbraw/zinc/38/45/62/1195384562.db2.gz DZCBKYLLZAVFIQ-CYBMUJFWSA-N 0 0 376.413 0.548 10 0 GCAERN CC[C@H]1C(=O)NCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000519313524 1195392910 /nfs/dbraw/zinc/39/29/10/1195392910.db2.gz HVONRUOGAWMMBR-INIZCTEOSA-N 0 0 379.482 0.824 10 0 GCAERN CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@H]1N1CCOCC1 ZINC000519369151 1195396166 /nfs/dbraw/zinc/39/61/66/1195396166.db2.gz ZZBKJDYNLIWHEA-ZHCJQAHYSA-N 0 0 379.501 0.485 10 0 GCAERN CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@@H]1N1CCOCC1 ZINC000519369148 1195396202 /nfs/dbraw/zinc/39/62/02/1195396202.db2.gz ZZBKJDYNLIWHEA-DRRXZNNHSA-N 0 0 379.501 0.485 10 0 GCAERN CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@H]1N1CCOCC1 ZINC000519369150 1195396340 /nfs/dbraw/zinc/39/63/40/1195396340.db2.gz ZZBKJDYNLIWHEA-JJTUDDRGSA-N 0 0 379.501 0.485 10 0 GCAERN CN(C(=O)C(=O)Nc1cccc(C(N)=O)n1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000440340074 1195409996 /nfs/dbraw/zinc/40/99/96/1195409996.db2.gz NJRKROJXAMUEAM-AWEZNQCLSA-N 0 0 399.382 0.522 10 0 GCAERN CC[C@H](OC)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506843658 1195416673 /nfs/dbraw/zinc/41/66/73/1195416673.db2.gz XKXNNGSMNVEVIN-CVEARBPZSA-N 0 0 377.489 0.793 10 0 GCAERN O=C(CC1(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CCCC1)N1CCOCC1 ZINC000329414764 1195417929 /nfs/dbraw/zinc/41/79/29/1195417929.db2.gz FCKGEPVSIMDEOC-ZDUSSCGKSA-N 0 0 378.429 0.399 10 0 GCAERN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(CCO)[C@H](C)C1 ZINC000187651690 1195419711 /nfs/dbraw/zinc/41/97/11/1195419711.db2.gz TUOJQHRMKIAFRB-IAGOWNOFSA-N 0 0 376.501 0.745 10 0 GCAERN O=S(=O)(N1CCOCC1)N1CCN(Cc2cc(-c3ccco3)on2)CC1 ZINC000045006322 1195420043 /nfs/dbraw/zinc/42/00/43/1195420043.db2.gz QTXYURFCDPBCPE-UHFFFAOYSA-N 0 0 382.442 0.629 10 0 GCAERN CC(C)CCNC(=O)C1CCN(C(=O)CN2CCN(CCO)[C@H](C)C2)CC1 ZINC000187689438 1195420140 /nfs/dbraw/zinc/42/01/40/1195420140.db2.gz ITKOGANRGPZBMP-QGZVFWFLSA-N 0 0 382.549 0.386 10 0 GCAERN CNC(=O)Cn1cc(NC(=O)C(=O)NCCc2cn(C)c3cc(C)ccc23)cn1 ZINC000187616500 1195420511 /nfs/dbraw/zinc/42/05/11/1195420511.db2.gz XNIMAQFBNCYZLH-UHFFFAOYSA-N 0 0 396.451 0.727 10 0 GCAERN C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CCN1CCO ZINC000187715023 1195421212 /nfs/dbraw/zinc/42/12/12/1195421212.db2.gz RRAGWTDIPCOFAX-CYBMUJFWSA-N 0 0 378.864 0.858 10 0 GCAERN CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@H]1CCCCO1 ZINC000550050111 1195424786 /nfs/dbraw/zinc/42/47/86/1195424786.db2.gz TYUQHHYWVFGPKY-JKSUJKDBSA-N 0 0 392.504 0.506 10 0 GCAERN O=C(NCc1cn2ccccc2n1)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000550069885 1195427725 /nfs/dbraw/zinc/42/77/25/1195427725.db2.gz UBCUEYVBRIIOBY-UHFFFAOYSA-N 0 0 394.435 0.499 10 0 GCAERN CC(=O)N1CCc2ccc(S(=O)(=O)N3CCNC[C@@](C)(F)C3)cc2CC1 ZINC000519548721 1195428956 /nfs/dbraw/zinc/42/89/56/1195428956.db2.gz YNOUUDBRYXIAJD-GOSISDBHSA-N 0 0 383.489 0.956 10 0 GCAERN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000473692317 1195443765 /nfs/dbraw/zinc/44/37/65/1195443765.db2.gz IJWCEUFVJYDCDL-CQSZACIVSA-N 0 0 392.456 0.892 10 0 GCAERN O=C(Nc1cccn(CC(F)(F)F)c1=O)N[C@H]1CCCN(CCO)C1=O ZINC000473707798 1195447079 /nfs/dbraw/zinc/44/70/79/1195447079.db2.gz XECXWPOHJLNGMR-JTQLQIEISA-N 0 0 376.335 0.515 10 0 GCAERN O=C(NCc1cn2ccsc2n1)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000550152423 1195448331 /nfs/dbraw/zinc/44/83/31/1195448331.db2.gz GJFIHDQRNFZWBA-UHFFFAOYSA-N 0 0 385.453 0.541 10 0 GCAERN CN(C)c1nnc(-c2ccc(NC(=O)N[C@H]3CCCN(CCO)C3=O)cc2)o1 ZINC000473719147 1195449483 /nfs/dbraw/zinc/44/94/83/1195449483.db2.gz FKVDENYYUNQWQV-AWEZNQCLSA-N 0 0 388.428 0.907 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000550184341 1195456184 /nfs/dbraw/zinc/45/61/84/1195456184.db2.gz DMHKAWCEUKPGAN-UHFFFAOYSA-N 0 0 392.419 0.789 10 0 GCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)[nH]n1 ZINC000550183491 1195456233 /nfs/dbraw/zinc/45/62/33/1195456233.db2.gz DMPMMISHEVUCMY-ZDUSSCGKSA-N 0 0 386.456 0.313 10 0 GCAERN COc1ccc([C@H](NC(=O)C(=O)N2CC[C@H]([C@H](C)O)C2)c2nccn2C)cc1 ZINC000550192985 1195456410 /nfs/dbraw/zinc/45/64/10/1195456410.db2.gz WYHTWRLCMHBRSX-QRTARXTBSA-N 0 0 386.452 0.864 10 0 GCAERN COc1ccc2c(c1)nc(CNC(=O)C(=O)NCc1nnc3ccccn31)n2C ZINC000550192770 1195457040 /nfs/dbraw/zinc/45/70/40/1195457040.db2.gz NXFDBOYJMJATKR-UHFFFAOYSA-N 0 0 393.407 0.557 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000550192398 1195457162 /nfs/dbraw/zinc/45/71/62/1195457162.db2.gz BFRUTNKGMAGUBT-UHFFFAOYSA-N 0 0 392.419 0.330 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000550196380 1195458320 /nfs/dbraw/zinc/45/83/20/1195458320.db2.gz VAVNEVTXINOWHT-UHFFFAOYSA-N 0 0 389.419 0.907 10 0 GCAERN Cc1c(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000473857736 1195525527 /nfs/dbraw/zinc/52/55/27/1195525527.db2.gz ODKLZJSYVLATIK-LBPRGKRZSA-N 0 0 384.396 0.768 10 0 GCAERN Cc1sc2ncn(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)c(=O)c2c1C ZINC000126687871 1195530312 /nfs/dbraw/zinc/53/03/12/1195530312.db2.gz ZKQMMGYKYAVQQL-UHFFFAOYSA-N 0 0 397.416 0.848 10 0 GCAERN COC(=O)c1cn(C2CN(C(=O)c3cnc4cc(OC)ccc4c3O)C2)nn1 ZINC000507628650 1195541393 /nfs/dbraw/zinc/54/13/93/1195541393.db2.gz FUTPEWLCODZEGP-UHFFFAOYSA-N 0 0 383.364 0.612 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H](C)c2nncn2C)cc1C ZINC000507681128 1195546928 /nfs/dbraw/zinc/54/69/28/1195546928.db2.gz ZXOUHEIGYMHWMU-AWEZNQCLSA-N 0 0 379.486 0.972 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCc2ccc(OC)cc2)CC1 ZINC000550296905 1195552344 /nfs/dbraw/zinc/55/23/44/1195552344.db2.gz HQDVRZUOMJXNCL-UHFFFAOYSA-N 0 0 377.441 0.407 10 0 GCAERN O=C(NCc1ccnc(N2CCCC2)c1)C(=O)N1CCSC[C@@H]1CCO ZINC000550303770 1195555544 /nfs/dbraw/zinc/55/55/44/1195555544.db2.gz LJXZYFVJRKRHPN-HNNXBMFYSA-N 0 0 378.498 0.624 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)[C@H](C)C1 ZINC000440580881 1195564034 /nfs/dbraw/zinc/56/40/34/1195564034.db2.gz RGPZLZUYVIDARH-CYBMUJFWSA-N 0 0 387.415 1.338 10 0 GCAERN COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000440567965 1195564488 /nfs/dbraw/zinc/56/44/88/1195564488.db2.gz JBZHRRALQCTCPS-LBPRGKRZSA-N 0 0 390.440 0.415 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)[C@H](C)C1 ZINC000440588164 1195567104 /nfs/dbraw/zinc/56/71/04/1195567104.db2.gz JVVUJNJRICHPHA-GFCCVEGCSA-N 0 0 381.454 0.249 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000519803814 1195571946 /nfs/dbraw/zinc/57/19/46/1195571946.db2.gz XGLUJEFDZDMUTD-RKDXNWHRSA-N 0 0 382.442 0.143 10 0 GCAERN O=C(NCc1cnn(-c2ccccc2)c1)C(=O)NCc1nnc2ccccn21 ZINC000519834574 1195574736 /nfs/dbraw/zinc/57/47/36/1195574736.db2.gz BRQKBGFCDJNDJR-UHFFFAOYSA-N 0 0 375.392 0.848 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cccc(N(C)C)c3C)CC2)[nH]1 ZINC000440752664 1195580285 /nfs/dbraw/zinc/58/02/85/1195580285.db2.gz ZPGWOWZYKGNHEG-UHFFFAOYSA-N 0 0 385.472 0.770 10 0 GCAERN CCO[C@@H]1C[C@](NC(=O)c2cn(CC3(C)COC3)nn2)(C(=O)OC)C1(C)C ZINC000440866136 1195586003 /nfs/dbraw/zinc/58/60/03/1195586003.db2.gz QDPWXLUBIHGHBD-ACJLOTCBSA-N 0 0 380.445 0.791 10 0 GCAERN CCO[C@H]1C[C@](NC(=O)c2cn(CC3(C)COC3)nn2)(C(=O)OC)C1(C)C ZINC000440866139 1195586060 /nfs/dbraw/zinc/58/60/60/1195586060.db2.gz QDPWXLUBIHGHBD-UGSOOPFHSA-N 0 0 380.445 0.791 10 0 GCAERN CCO[C@@H]1C[C@](NC(=O)C2CCC3(CC2)NC(=O)NC3=O)(C(=O)OC)C1(C)C ZINC000440849165 1195586343 /nfs/dbraw/zinc/58/63/43/1195586343.db2.gz AXEGXFWTIBFFIJ-JTVCDBFTSA-N 0 0 395.456 0.618 10 0 GCAERN CCO[C@H]1C[C@@](NC(=O)Cn2nnc3ccccc3c2=O)(C(=O)OC)C1(C)C ZINC000440877148 1195587917 /nfs/dbraw/zinc/58/79/17/1195587917.db2.gz QUGINCJSRYNGPB-IFXJQAMLSA-N 0 0 388.424 0.655 10 0 GCAERN CCO[C@@H]1C[C@@](NC(=O)Cn2nnc3ccccc3c2=O)(C(=O)OC)C1(C)C ZINC000440877146 1195587950 /nfs/dbraw/zinc/58/79/50/1195587950.db2.gz QUGINCJSRYNGPB-AUUYWEPGSA-N 0 0 388.424 0.655 10 0 GCAERN CCO[C@H]1C[C@](NC(=O)Cn2nnc3ccccc3c2=O)(C(=O)OC)C1(C)C ZINC000440877152 1195587983 /nfs/dbraw/zinc/58/79/83/1195587983.db2.gz QUGINCJSRYNGPB-LIRRHRJNSA-N 0 0 388.424 0.655 10 0 GCAERN CCO[C@H]1C[C@](NC(=O)CSc2nnnn2C2CC2)(C(=O)OC)C1(C)C ZINC000440883538 1195588515 /nfs/dbraw/zinc/58/85/15/1195588515.db2.gz XZXQRVDRWXYRIK-ZBEGNZNMSA-N 0 0 383.474 0.963 10 0 GCAERN Cc1c(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)cccc1N(C)C ZINC000440995604 1195594865 /nfs/dbraw/zinc/59/48/65/1195594865.db2.gz WNIUHKBFZNLXSY-HNNXBMFYSA-N 0 0 378.473 0.151 10 0 GCAERN O=C(Nc1cc(C2CC2)nn1-c1ncccn1)C(=O)N1CC(n2ccnn2)C1 ZINC000441302400 1195619956 /nfs/dbraw/zinc/61/99/56/1195619956.db2.gz MHTQFTPXISFMSB-UHFFFAOYSA-N 0 0 379.384 0.153 10 0 GCAERN Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)N1CC(n2ccnn2)C1 ZINC000441316999 1195622064 /nfs/dbraw/zinc/62/20/64/1195622064.db2.gz VWAIZVXJNZQWDO-UHFFFAOYSA-N 0 0 383.387 0.992 10 0 GCAERN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)N[C@@H]2CCCN(C)C2=O)CC1 ZINC000441399994 1195631780 /nfs/dbraw/zinc/63/17/80/1195631780.db2.gz FXGKSIPWMPSRLR-CQSZACIVSA-N 0 0 382.461 0.050 10 0 GCAERN Cc1nc2n(n1)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)CC2 ZINC000171458518 1195641206 /nfs/dbraw/zinc/64/12/06/1195641206.db2.gz XZFMIDBQVJYNGI-CMPLNLGQSA-N 0 0 381.433 0.524 10 0 GCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)C(=O)Nc1ccc(F)cc1 ZINC000112755721 1195643116 /nfs/dbraw/zinc/64/31/16/1195643116.db2.gz XHZBUHWIBKHETM-UHFFFAOYSA-N 0 0 376.432 0.825 10 0 GCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000473944676 1195647287 /nfs/dbraw/zinc/64/72/87/1195647287.db2.gz YDSOSBAOGMOVOQ-CQSZACIVSA-N 0 0 378.458 0.933 10 0 GCAERN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCn3nccc32)c1 ZINC000473943834 1195647494 /nfs/dbraw/zinc/64/74/94/1195647494.db2.gz ISYJSCOMPXWNBJ-UHFFFAOYSA-N 0 0 391.453 0.300 10 0 GCAERN Cc1cc(N2CCN(C3CC3)C(=O)C2)nc([C@@H](C)N2CCN(C3CC3)C(=O)C2)n1 ZINC000328656226 1195657960 /nfs/dbraw/zinc/65/79/60/1195657960.db2.gz NNPIWEJQWRMBMR-OAHLLOKOSA-N 0 0 398.511 0.964 10 0 GCAERN COc1cccc(CCNC(=O)NCCCN2CCN(c3ncccn3)CC2)n1 ZINC000441430599 1195676583 /nfs/dbraw/zinc/67/65/83/1195676583.db2.gz SATVQAYIZDCQCK-UHFFFAOYSA-N 0 0 399.499 0.934 10 0 GCAERN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC(C)(C)[C@@H](C)O)cc2)CC1 ZINC000330823651 1195709310 /nfs/dbraw/zinc/70/93/10/1195709310.db2.gz POZQOFINOFFBKC-CYBMUJFWSA-N 0 0 397.497 0.429 10 0 GCAERN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCC(Oc2cnccn2)CC1 ZINC000520444298 1195712242 /nfs/dbraw/zinc/71/22/42/1195712242.db2.gz UWVLZAXZESDVSP-CQSZACIVSA-N 0 0 397.501 0.844 10 0 GCAERN O=C1C[C@@H](N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C(=O)N1CC(F)(F)F ZINC000520444932 1195726856 /nfs/dbraw/zinc/72/68/56/1195726856.db2.gz XFRMDQVNWZQVJK-ZYHUDNBSSA-N 0 0 397.419 0.470 10 0 GCAERN COc1cccc(CCNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000441443322 1195731919 /nfs/dbraw/zinc/73/19/19/1195731919.db2.gz FTLJZGJZHFMSQU-UHFFFAOYSA-N 0 0 375.473 0.582 10 0 GCAERN COc1cccc(CCNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 ZINC000441445286 1195732640 /nfs/dbraw/zinc/73/26/40/1195732640.db2.gz FYGKRIYPEQNACU-AWEZNQCLSA-N 0 0 375.473 0.627 10 0 GCAERN COc1cccc(CCNC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)n1 ZINC000441446451 1195735221 /nfs/dbraw/zinc/73/52/21/1195735221.db2.gz IPUIXGZUHKFGQF-UHFFFAOYSA-N 0 0 382.486 0.889 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000507751971 1195737692 /nfs/dbraw/zinc/73/76/92/1195737692.db2.gz DFCUTHXWDUDBME-GDBMZVCRSA-N 0 0 388.468 0.929 10 0 GCAERN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)[nH]n2)c(C)c1 ZINC000189026716 1195743025 /nfs/dbraw/zinc/74/30/25/1195743025.db2.gz FHFUSYBHBOXKMB-UHFFFAOYSA-N 0 0 394.439 0.665 10 0 GCAERN COCC(COC)NC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000459016388 1195752694 /nfs/dbraw/zinc/75/26/94/1195752694.db2.gz GZMJAPDWMYRUES-UHFFFAOYSA-N 0 0 383.470 0.434 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)nn1-c1ccc(C)cc1 ZINC000190035803 1195755526 /nfs/dbraw/zinc/75/55/26/1195755526.db2.gz RYUWBSIGWBTRKF-INIZCTEOSA-N 0 0 385.468 0.953 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)CCN1CCO ZINC000190032568 1195755651 /nfs/dbraw/zinc/75/56/51/1195755651.db2.gz YKAXUQZVTOHZPI-OAHLLOKOSA-N 0 0 397.479 0.825 10 0 GCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccnn2CCc2ccccc2)CCN1CCO ZINC000190039751 1195755707 /nfs/dbraw/zinc/75/57/07/1195755707.db2.gz XHKLOTUEIRMWKT-INIZCTEOSA-N 0 0 385.468 0.589 10 0 GCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CCN1CCO ZINC000190038986 1195755852 /nfs/dbraw/zinc/75/58/52/1195755852.db2.gz XTYBZOHRNYFFOA-ZDUSSCGKSA-N 0 0 391.859 0.989 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2-c2ccc(Cl)cc2)CCN1CCO ZINC000190053158 1195756492 /nfs/dbraw/zinc/75/64/92/1195756492.db2.gz SCDILUFPIFBXQL-CYBMUJFWSA-N 0 0 391.859 0.989 10 0 GCAERN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000229820275 1195762319 /nfs/dbraw/zinc/76/23/19/1195762319.db2.gz GRDGTQVUEMXALM-HZPDHXFCSA-N 0 0 377.489 0.935 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cn1C ZINC000181005107 1195771167 /nfs/dbraw/zinc/77/11/67/1195771167.db2.gz AXLMWAOLWLJXJE-UHFFFAOYSA-N 0 0 391.497 0.628 10 0 GCAERN COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC23CCC3)cc1 ZINC000441547517 1195781953 /nfs/dbraw/zinc/78/19/53/1195781953.db2.gz QCARJFGXQCSCCV-UHFFFAOYSA-N 0 0 381.454 0.705 10 0 GCAERN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCO[C@H](COc2ccccc2)C1 ZINC000520559391 1195786251 /nfs/dbraw/zinc/78/62/51/1195786251.db2.gz JWSROFDHKOSVGG-NUJGCVRESA-N 0 0 375.469 0.879 10 0 GCAERN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000520559393 1195786442 /nfs/dbraw/zinc/78/64/42/1195786442.db2.gz JWSROFDHKOSVGG-SOLBZPMBSA-N 0 0 375.469 0.879 10 0 GCAERN CN(C)c1noc(CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1 ZINC000192695035 1195804696 /nfs/dbraw/zinc/80/46/96/1195804696.db2.gz ZEHASYSPWJXROK-UHFFFAOYSA-N 0 0 387.412 0.920 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(OC)nc2C)CC1 ZINC000441652273 1195809454 /nfs/dbraw/zinc/80/94/54/1195809454.db2.gz PBXMDHHYHRQMDV-UHFFFAOYSA-N 0 0 378.429 0.433 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cc(OC)ccc2F)CC1 ZINC000441671473 1195813348 /nfs/dbraw/zinc/81/33/48/1195813348.db2.gz CWOCIUXUURPVHC-UHFFFAOYSA-N 0 0 381.404 0.869 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cccc([S@](C)=O)c2)CC1 ZINC000441669220 1195813768 /nfs/dbraw/zinc/81/37/68/1195813768.db2.gz YPRRLCVUTPLSMN-MHZLTWQESA-N 0 0 395.481 0.458 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccnn2-c2ccccc2)CC1 ZINC000441672177 1195814339 /nfs/dbraw/zinc/81/43/39/1195814339.db2.gz ZJDJCIQXZQVDBL-UHFFFAOYSA-N 0 0 399.451 0.907 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)CC1 ZINC000441674749 1195815371 /nfs/dbraw/zinc/81/53/71/1195815371.db2.gz MMRMNJSTKXFWCG-UHFFFAOYSA-N 0 0 399.451 0.907 10 0 GCAERN COC[C@@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@H]1CCCO1 ZINC000579548676 1195816648 /nfs/dbraw/zinc/81/66/48/1195816648.db2.gz PPIBQEPAIPYRGT-IAGOWNOFSA-N 0 0 377.441 0.772 10 0 GCAERN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(C)C2CC(O)C2)C1=O ZINC000760047762 1195824736 /nfs/dbraw/zinc/82/47/36/1195824736.db2.gz BUVDKPBIBLZJMC-PNQRNNEWSA-N 0 0 375.425 0.752 10 0 GCAERN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(C)C2CC(O)C2)C1=O ZINC000760047767 1195825008 /nfs/dbraw/zinc/82/50/08/1195825008.db2.gz BUVDKPBIBLZJMC-RMTLACHYSA-N 0 0 375.425 0.752 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)no1 ZINC000441735551 1195830384 /nfs/dbraw/zinc/83/03/84/1195830384.db2.gz YMFRVBHELLJYTN-UHFFFAOYSA-N 0 0 386.412 0.551 10 0 GCAERN CCS(=O)(=O)NCCNC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000441746130 1195834577 /nfs/dbraw/zinc/83/45/77/1195834577.db2.gz ACEZXZBMZVOQJU-UHFFFAOYSA-N 0 0 381.462 0.394 10 0 GCAERN COC(=O)CCCOc1ccc(CNC(=O)N2CC[C@@H](NC(N)=O)C2)cc1 ZINC000536480503 1195836512 /nfs/dbraw/zinc/83/65/12/1195836512.db2.gz HUSVGKKBOLAIIW-CQSZACIVSA-N 0 0 378.429 0.971 10 0 GCAERN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](NC(N)=O)C2)cc1 ZINC000536486784 1195837770 /nfs/dbraw/zinc/83/77/70/1195837770.db2.gz ULCHLJPXPTTZLP-AWEZNQCLSA-N 0 0 397.501 0.398 10 0 GCAERN NC(=O)N[C@@H]1CCN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000536491469 1195839007 /nfs/dbraw/zinc/83/90/07/1195839007.db2.gz LOZFMTJYBAMSSU-QGZVFWFLSA-N 0 0 387.484 0.008 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)N3CC[C@H](S(N)(=O)=O)C3)c2)n1 ZINC000441769808 1195843167 /nfs/dbraw/zinc/84/31/67/1195843167.db2.gz XPDMXKOOVRPTOT-ZDUSSCGKSA-N 0 0 379.446 0.228 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)Cc2c(C)nn(CC(C)C)c2C)CC1 ZINC000520760974 1195849102 /nfs/dbraw/zinc/84/91/02/1195849102.db2.gz NYKWEMXVUHTIMG-UHFFFAOYSA-N 0 0 391.516 0.895 10 0 GCAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2nnnn2CC(F)(F)F)CC1 ZINC000190863433 1195879589 /nfs/dbraw/zinc/87/95/89/1195879589.db2.gz JGDIQLKHNYNQRI-LBPRGKRZSA-N 0 0 389.426 0.800 10 0 GCAERN CC(=O)[C@H](C)CCCCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000427912289 1195895874 /nfs/dbraw/zinc/89/58/74/1195895874.db2.gz BJTXYARJKSWRIP-OAHLLOKOSA-N 0 0 381.473 0.302 10 0 GCAERN CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000441895945 1195930847 /nfs/dbraw/zinc/93/08/47/1195930847.db2.gz YLLBRRBHFVGMGW-OAHLLOKOSA-N 0 0 383.445 0.911 10 0 GCAERN CC(=O)NC[C@H]1CN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CCO1 ZINC000441903000 1195931754 /nfs/dbraw/zinc/93/17/54/1195931754.db2.gz ICDVYGRFEALFFO-LBPRGKRZSA-N 0 0 387.433 0.005 10 0 GCAERN Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)ncn4C)CC2)n1 ZINC000441984971 1195938670 /nfs/dbraw/zinc/93/86/70/1195938670.db2.gz WJYYBIDRFJZGSX-UHFFFAOYSA-N 0 0 383.412 0.548 10 0 GCAERN COc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cc1NC(C)=O ZINC000442056898 1195947212 /nfs/dbraw/zinc/94/72/12/1195947212.db2.gz NGOYHJOUROCSBS-CYBMUJFWSA-N 0 0 381.454 0.919 10 0 GCAERN CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cc1 ZINC000442074539 1195949633 /nfs/dbraw/zinc/94/96/33/1195949633.db2.gz CRVYPQHKGKRXRZ-CQSZACIVSA-N 0 0 395.481 0.419 10 0 GCAERN COC(=O)COc1cccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)c1 ZINC000442050436 1195949657 /nfs/dbraw/zinc/94/96/57/1195949657.db2.gz DDFMUJLSNCZEDD-ZDUSSCGKSA-N 0 0 382.438 0.503 10 0 GCAERN O=C(Nc1cnn(Cc2ccncc2)c1)C(=O)N1CCSC[C@@H]1CCO ZINC000442075191 1195949817 /nfs/dbraw/zinc/94/98/17/1195949817.db2.gz FHCTWWVFQNUAET-HNNXBMFYSA-N 0 0 375.454 0.591 10 0 GCAERN Cc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cc1-n1cnnn1 ZINC000442085412 1195950760 /nfs/dbraw/zinc/95/07/60/1195950760.db2.gz VSRYPENNPOSNRR-CYBMUJFWSA-N 0 0 376.442 0.236 10 0 GCAERN CNS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2ccccc2)c2ncco2)CC1 ZINC000665272421 1195952196 /nfs/dbraw/zinc/95/21/96/1195952196.db2.gz FCOPCNNRNWRXFA-OAHLLOKOSA-N 0 0 393.469 0.750 10 0 GCAERN COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000442097007 1195952798 /nfs/dbraw/zinc/95/27/98/1195952798.db2.gz NDSCNTFETQCTHA-CYBMUJFWSA-N 0 0 395.481 0.662 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)ccc1C(=O)N(C)C ZINC000442096175 1195952832 /nfs/dbraw/zinc/95/28/32/1195952832.db2.gz LCTDTGNXMGBADT-AWEZNQCLSA-N 0 0 379.482 0.962 10 0 GCAERN COC(=O)c1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)c(OC)c1 ZINC000442104823 1195954198 /nfs/dbraw/zinc/95/41/98/1195954198.db2.gz CFSPETBBLIRFJW-GFCCVEGCSA-N 0 0 382.438 0.747 10 0 GCAERN CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cc1 ZINC000442112361 1195954530 /nfs/dbraw/zinc/95/45/30/1195954530.db2.gz PXRSLPJJGWFJCG-OAHLLOKOSA-N 0 0 394.497 0.452 10 0 GCAERN O=C(Nc1cccc(N2CCNC2=O)c1)C(=O)N1CCSC[C@H]1CCO ZINC000442109574 1195954742 /nfs/dbraw/zinc/95/47/42/1195954742.db2.gz PSFDEIILOHNLGC-CQSZACIVSA-N 0 0 378.454 0.481 10 0 GCAERN CN(C(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1CCNC1=O ZINC000442253094 1195965841 /nfs/dbraw/zinc/96/58/41/1195965841.db2.gz NFMKUDPMHXGYEC-OAHLLOKOSA-N 0 0 396.451 0.957 10 0 GCAERN COc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c2cccnc12 ZINC000442259431 1195967268 /nfs/dbraw/zinc/96/72/68/1195967268.db2.gz LWLBQEJTVDHPTR-CQSZACIVSA-N 0 0 386.408 0.281 10 0 GCAERN CC(C)OCc1cccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000442264825 1195968127 /nfs/dbraw/zinc/96/81/27/1195968127.db2.gz IHRWBMYJABAYEE-INIZCTEOSA-N 0 0 377.441 0.650 10 0 GCAERN CC[C@@H](C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000442267848 1195968894 /nfs/dbraw/zinc/96/88/94/1195968894.db2.gz LFGBDYMJXWLKMP-CZUORRHYSA-N 0 0 377.441 0.902 10 0 GCAERN Cc1ccnn1-c1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442278698 1195970830 /nfs/dbraw/zinc/97/08/30/1195970830.db2.gz WYSKRKSPZVWEPJ-OAHLLOKOSA-N 0 0 385.424 0.219 10 0 GCAERN O=C(Nc1cccc(-c2nccs2)c1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442280469 1195970971 /nfs/dbraw/zinc/97/09/71/1195970971.db2.gz WRXHCNOMBSACJO-AWEZNQCLSA-N 0 0 388.449 0.848 10 0 GCAERN CC(C)N(C)c1cccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000442284418 1195971955 /nfs/dbraw/zinc/97/19/55/1195971955.db2.gz MKCZJTLENMEXGN-MRXNPFEDSA-N 0 0 376.457 0.569 10 0 GCAERN CC[C@H](C)n1ncc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1C1CC1 ZINC000442290449 1195972276 /nfs/dbraw/zinc/97/22/76/1195972276.db2.gz AWXOEVGAHZQKNS-GXTWGEPZSA-N 0 0 391.472 0.770 10 0 GCAERN CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442292310 1195972926 /nfs/dbraw/zinc/97/29/26/1195972926.db2.gz FQKYQKQVSWQVST-KBPBESRZSA-N 0 0 379.461 0.528 10 0 GCAERN CC(C)COc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442290778 1195973020 /nfs/dbraw/zinc/97/30/20/1195973020.db2.gz BEWWJMPYAFYGPY-HNNXBMFYSA-N 0 0 377.441 0.759 10 0 GCAERN O=C(Nc1ccc(F)cc1OC(F)F)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442293463 1195973357 /nfs/dbraw/zinc/97/33/57/1195973357.db2.gz IHYCWUMLWZKYOR-NSHDSACASA-N 0 0 389.330 0.465 10 0 GCAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)n(-c2ccccc2)n1 ZINC000442297175 1195974250 /nfs/dbraw/zinc/97/42/50/1195974250.db2.gz NYYAQVIBKMWSJS-HNNXBMFYSA-N 0 0 385.424 0.219 10 0 GCAERN COc1cccc(CCNC(=O)C(=O)Nc2ccc(C)c(-n3cnnn3)c2)n1 ZINC000442330529 1195976686 /nfs/dbraw/zinc/97/66/86/1195976686.db2.gz IOGBPAVNEUFWBR-UHFFFAOYSA-N 0 0 381.396 0.672 10 0 GCAERN COc1cccc(CCNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000442331964 1195976794 /nfs/dbraw/zinc/97/67/94/1195976794.db2.gz HAFFRZWGJVUJIO-UHFFFAOYSA-N 0 0 377.422 0.791 10 0 GCAERN COc1cccc(CCNC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)n1 ZINC000442316505 1195977267 /nfs/dbraw/zinc/97/72/67/1195977267.db2.gz BOEXGIVIVVBPDN-UHFFFAOYSA-N 0 0 377.422 0.791 10 0 GCAERN COc1cccc(CCNC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000442318752 1195977719 /nfs/dbraw/zinc/97/77/19/1195977719.db2.gz AYDHOAJHJAELAM-UHFFFAOYSA-N 0 0 391.449 0.932 10 0 GCAERN COCC1(O)CCN(C(=O)C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1 ZINC000521218760 1195979219 /nfs/dbraw/zinc/97/92/19/1195979219.db2.gz XSNWULYZYUAOMC-UHFFFAOYSA-N 0 0 386.452 0.548 10 0 GCAERN COc1cccc(CCNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)n1 ZINC000442347609 1195980246 /nfs/dbraw/zinc/98/02/46/1195980246.db2.gz VJIUHYZWRFMXEQ-UHFFFAOYSA-N 0 0 399.451 0.888 10 0 GCAERN CCOC(=O)c1ccccc1S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000443202135 1196027468 /nfs/dbraw/zinc/02/74/68/1196027468.db2.gz JCXGOGQUSVLLOZ-INIZCTEOSA-N 0 0 381.410 0.226 10 0 GCAERN CNS(=O)(=O)c1ccc(NC(=O)N2CCN(C(C)(C)C(=O)OC)CC2)cc1 ZINC000614686561 1196035090 /nfs/dbraw/zinc/03/50/90/1196035090.db2.gz YGSNULZJNIOKMM-UHFFFAOYSA-N 0 0 398.485 0.696 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)no1 ZINC000443356018 1196041655 /nfs/dbraw/zinc/04/16/55/1196041655.db2.gz ZWRORVZEEGQPIZ-UHFFFAOYSA-N 0 0 384.462 0.394 10 0 GCAERN CC(=O)N1CCN(C(=O)[C@@H](C)S(=O)(=O)Cc2nc(C3CCCC3)no2)CC1 ZINC000443444838 1196047705 /nfs/dbraw/zinc/04/77/05/1196047705.db2.gz LCWKCSZOYXXXLE-GFCCVEGCSA-N 0 0 398.485 0.721 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000522158503 1196047788 /nfs/dbraw/zinc/04/77/88/1196047788.db2.gz YMOAKCABNJOLBB-UHFFFAOYSA-N 0 0 385.468 0.802 10 0 GCAERN CCCCN(C(=O)COc1cnn(C)c1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000443463192 1196057054 /nfs/dbraw/zinc/05/70/54/1196057054.db2.gz IDYUXHHVXOGKCG-UHFFFAOYSA-N 0 0 378.433 0.887 10 0 GCAERN CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C1 ZINC000522205233 1196060570 /nfs/dbraw/zinc/06/05/70/1196060570.db2.gz KHSJVGVKSBYOBF-JKSUJKDBSA-N 0 0 395.481 0.958 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)N2CCC([C@@H](O)C(=O)OC)CC2)c(C)c1 ZINC000443508836 1196063367 /nfs/dbraw/zinc/06/33/67/1196063367.db2.gz GQXZZMTULIKVAW-OAHLLOKOSA-N 0 0 385.438 0.716 10 0 GCAERN CCn1cc(CN(C)C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)cn1 ZINC000522241165 1196064519 /nfs/dbraw/zinc/06/45/19/1196064519.db2.gz IPDNTEIQMVSPHV-UHFFFAOYSA-N 0 0 384.433 0.899 10 0 GCAERN COc1ccc(CNC(=O)C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cn1 ZINC000550569585 1196089610 /nfs/dbraw/zinc/08/96/10/1196089610.db2.gz PDVRKOWOSADCHD-INIZCTEOSA-N 0 0 382.420 0.796 10 0 GCAERN O=C(c1ccccc1S(=O)(=O)N1CCOCC1)N1CCO[C@H](C2CC2)C1 ZINC000330180117 1196089836 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1196191955 /nfs/dbraw/zinc/19/19/55/1196191955.db2.gz VTDRPELDZZABDP-HOTGVXAUSA-N 0 0 385.530 0.356 10 0 GCAERN C[C@@H]1CN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CCS1(=O)=O ZINC000329401121 1196192479 /nfs/dbraw/zinc/19/24/79/1196192479.db2.gz BGXWJRRWBFWPTD-GFCCVEGCSA-N 0 0 394.474 0.994 10 0 GCAERN C[C@@H](C(=O)N(C)CC(=O)N1CCCC[C@H]1CN1CCOCC1)n1cccn1 ZINC000329437963 1196195571 /nfs/dbraw/zinc/19/55/71/1196195571.db2.gz JNVUSTWHNYEMTD-IRXDYDNUSA-N 0 0 377.489 0.616 10 0 GCAERN C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CCS1(=O)=O ZINC000329451802 1196197252 /nfs/dbraw/zinc/19/72/52/1196197252.db2.gz OXOVBOLJZGEYLS-TZMCWYRMSA-N 0 0 394.449 0.665 10 0 GCAERN C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CCS1(=O)=O ZINC000329451194 1196197498 /nfs/dbraw/zinc/19/74/98/1196197498.db2.gz OXOVBOLJZGEYLS-GXTWGEPZSA-N 0 0 394.449 0.665 10 0 GCAERN C[C@H]1CN(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CCS1(=O)=O ZINC000329459432 1196197812 /nfs/dbraw/zinc/19/78/12/1196197812.db2.gz RMNHNGBLDQQZAH-AWEZNQCLSA-N 0 0 395.481 0.739 10 0 GCAERN CN(CC(=O)N1CCN(c2ccccc2F)CC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000329572534 1196206525 /nfs/dbraw/zinc/20/65/25/1196206525.db2.gz NAWLALDEZMJSPV-HNNXBMFYSA-N 0 0 383.489 0.841 10 0 GCAERN COc1cccc(-c2cc(NC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)n(C)n2)c1 ZINC000443823086 1196219094 /nfs/dbraw/zinc/21/90/94/1196219094.db2.gz FNQVISXNARJWFE-CHWSQXEVSA-N 0 0 390.440 0.624 10 0 GCAERN CNS(=O)(=O)c1cc(NC(=O)C(=O)Nc2c(C)nn(C)c2C)ccc1C ZINC000522525108 1196219926 /nfs/dbraw/zinc/21/99/26/1196219926.db2.gz UNGFIMOQGUFVFB-UHFFFAOYSA-N 0 0 379.442 0.831 10 0 GCAERN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCO[C@H](C2CC2)C1 ZINC000330125540 1196254177 /nfs/dbraw/zinc/25/41/77/1196254177.db2.gz IJQKZJTUGHYEMW-PXAZEXFGSA-N 0 0 379.482 0.722 10 0 GCAERN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCO[C@@H](C2CC2)C1 ZINC000330125547 1196254254 /nfs/dbraw/zinc/25/42/54/1196254254.db2.gz IJQKZJTUGHYEMW-YVEFUNNKSA-N 0 0 379.482 0.722 10 0 GCAERN O=C(CS(=O)(=O)Cc1nnc2n1CCCC2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000330137841 1196255527 /nfs/dbraw/zinc/25/55/27/1196255527.db2.gz NZNZNXNDCZAALO-KBPBESRZSA-N 0 0 382.486 0.699 10 0 GCAERN O=C(CN1CCO[C@H](C2CC2)C1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000330150290 1196256061 /nfs/dbraw/zinc/25/60/61/1196256061.db2.gz VQYYVDSFJGKWCJ-IKGGRYGDSA-N 0 0 386.514 0.292 10 0 GCAERN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCO[C@H](C2CC2)C1 ZINC000330147715 1196256086 /nfs/dbraw/zinc/25/60/86/1196256086.db2.gz UGGODKQPUKNWSL-KRWDZBQOSA-N 0 0 380.466 0.959 10 0 GCAERN CCc1c(C(=O)N2CCc3cc[nH]c(=O)c3C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000330260667 1196262368 /nfs/dbraw/zinc/26/23/68/1196262368.db2.gz OMILGTCJZHIIOE-UHFFFAOYSA-N 0 0 395.419 0.494 10 0 GCAERN CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000280897256 1196264879 /nfs/dbraw/zinc/26/48/79/1196264879.db2.gz MPUWKLIMHSOQAR-XDQVBPFNSA-N 0 0 380.424 0.068 10 0 GCAERN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)Cc2cnccn2)c1 ZINC000522779704 1196314061 /nfs/dbraw/zinc/31/40/61/1196314061.db2.gz BOCIKTSJQDGVFO-UHFFFAOYSA-N 0 0 391.453 0.115 10 0 GCAERN C[C@@]1(C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CCC(=O)NC1 ZINC000281705640 1196324568 /nfs/dbraw/zinc/32/45/68/1196324568.db2.gz BKRHRKZHYGEJKF-LAUBAEHRSA-N 0 0 384.480 0.852 10 0 GCAERN C/C(=C\C(=O)N1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C)CN1CCOCC1 ZINC000909570994 1196379299 /nfs/dbraw/zinc/37/92/99/1196379299.db2.gz WWWKOYSOHPEJOS-HFQYIWAZSA-N 0 0 375.473 0.670 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(c3ncc[nH]3)CC2)CC1 ZINC000523004078 1196385093 /nfs/dbraw/zinc/38/50/93/1196385093.db2.gz SKMGLMMQIDUWEU-UHFFFAOYSA-N 0 0 376.461 0.380 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000523033778 1196417425 /nfs/dbraw/zinc/41/74/25/1196417425.db2.gz KKHNTEVHMZBFCN-OAHLLOKOSA-N 0 0 398.423 0.263 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000523040357 1196423565 /nfs/dbraw/zinc/42/35/65/1196423565.db2.gz 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/nfs/dbraw/zinc/85/98/82/1196859882.db2.gz INPRSLMQWZYQMX-UHFFFAOYSA-N 0 0 398.828 0.814 10 0 GCAERN CNC(=O)N1CCN(C(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000783656617 1196892370 /nfs/dbraw/zinc/89/23/70/1196892370.db2.gz YFPLWMPIBDHKOL-UHFFFAOYSA-N 0 0 392.460 0.800 10 0 GCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@@H]1c1nncn1C ZINC000120042320 1196899018 /nfs/dbraw/zinc/89/90/18/1196899018.db2.gz HYGKXPBSIJEPGZ-WCQYABFASA-N 0 0 381.433 0.985 10 0 GCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@H]1c1nncn1C ZINC000120042496 1196899194 /nfs/dbraw/zinc/89/91/94/1196899194.db2.gz HYGKXPBSIJEPGZ-AAEUAGOBSA-N 0 0 381.433 0.985 10 0 GCAERN COCCn1cc(N2C[C@@H](C(=O)N3CCSC[C@H]3CCO)CC2=O)cn1 ZINC000450232817 1196921394 /nfs/dbraw/zinc/92/13/94/1196921394.db2.gz XUWJZNJWMDIOGW-UONOGXRCSA-N 0 0 382.486 0.209 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2-c2noc(C)n2)C1 ZINC000371999936 1196923249 /nfs/dbraw/zinc/92/32/49/1196923249.db2.gz YCRZYGTXVXAJNN-LBPRGKRZSA-N 0 0 386.412 0.904 10 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/nfs/dbraw/zinc/95/51/25/1196955125.db2.gz SGRBCCYGGWATOR-ZDUSSCGKSA-N 0 0 378.439 0.930 10 0 GCAERN COCCn1cc(N2C[C@@H](C(=O)NC[C@H](C)N3CCCCC3=O)CC2=O)cn1 ZINC000451074766 1196967876 /nfs/dbraw/zinc/96/78/76/1196967876.db2.gz RPGAMFAMICVVIR-GJZGRUSLSA-N 0 0 391.472 0.400 10 0 GCAERN COCCn1cc(N2C[C@H](C(=O)NC[C@@H](C)N3CCCCC3=O)CC2=O)cn1 ZINC000451074767 1196968105 /nfs/dbraw/zinc/96/81/05/1196968105.db2.gz RPGAMFAMICVVIR-HUUCEWRRSA-N 0 0 391.472 0.400 10 0 GCAERN CCOC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC12COC2 ZINC000451137818 1196972548 /nfs/dbraw/zinc/97/25/48/1196972548.db2.gz POYWFICYKMEHFA-BBRMVZONSA-N 0 0 389.452 0.885 10 0 GCAERN CCOC(=O)[C@H]1CN(CC(=O)Nc2ccc(C(=O)OC)cc2)CC12COC2 ZINC000451134006 1196974661 /nfs/dbraw/zinc/97/46/61/1196974661.db2.gz KKSKCINCFMQYLB-OAHLLOKOSA-N 0 0 376.409 0.923 10 0 GCAERN CCOC(=O)[C@@H]1CN(CC(=O)Nc2ccc(C(=O)OC)cc2)CC12COC2 ZINC000451134005 1196974736 /nfs/dbraw/zinc/97/47/36/1196974736.db2.gz KKSKCINCFMQYLB-HNNXBMFYSA-N 0 0 376.409 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CO[C@@H]1CC[C@@H](NC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC000530408088 1196985726 /nfs/dbraw/zinc/98/57/26/1196985726.db2.gz MMUSGYPALPRGBF-HUUCEWRRSA-N 0 0 389.518 0.826 10 0 GCAERN O=S(=O)(NCCc1cnccn1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000530427201 1196986576 /nfs/dbraw/zinc/98/65/76/1196986576.db2.gz PLOKJMCUDNYYKV-UHFFFAOYSA-N 0 0 396.494 0.782 10 0 GCAERN CC1(C)Cc2cccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)c2O1 ZINC000530442966 1196989663 /nfs/dbraw/zinc/98/96/63/1196989663.db2.gz WQRSJRKPLWCFPW-AWEZNQCLSA-N 0 0 375.425 0.438 10 0 GCAERN COC(=O)C1CCN(C(=O)CN2CCCc3c(OCC(N)=O)cccc32)CC1 ZINC000451659131 1197007501 /nfs/dbraw/zinc/00/75/01/1197007501.db2.gz AAKVMARGXVFUNG-UHFFFAOYSA-N 0 0 389.452 0.715 10 0 GCAERN COC(=O)c1n[nH]c2c1CN(S(=O)(=O)c1ccc(C(=O)OC)cc1)CC2 ZINC000451945602 1197027112 /nfs/dbraw/zinc/02/71/12/1197027112.db2.gz JHXIIURQLWHMNG-UHFFFAOYSA-N 0 0 379.394 0.730 10 0 GCAERN C[C@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)C(=O)NC(C)(C)C ZINC000530923275 1197027233 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1197047934 /nfs/dbraw/zinc/04/79/34/1197047934.db2.gz PTVPHCSAWAFYHI-CQSZACIVSA-N 0 0 386.408 0.220 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)COCCNC(=O)c2ccccc2)CC12COC2 ZINC000452257678 1197048182 /nfs/dbraw/zinc/04/81/82/1197048182.db2.gz HXOXLVTZMGFSMQ-INIZCTEOSA-N 0 0 390.436 0.471 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)CCn2cnc3sccc3c2=O)CC12COC2 ZINC000452230232 1197048314 /nfs/dbraw/zinc/04/83/14/1197048314.db2.gz QSEHWAMBLUYCGN-CYBMUJFWSA-N 0 0 391.449 0.886 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC12COC2 ZINC000452231118 1197048350 /nfs/dbraw/zinc/04/83/50/1197048350.db2.gz SRNSOVBNWOYRNR-CVEARBPZSA-N 0 0 393.484 0.952 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC12COC2 ZINC000452230302 1197048451 /nfs/dbraw/zinc/04/84/51/1197048451.db2.gz QWTNTGHSSVLVLF-MNOVXSKESA-N 0 0 378.347 0.435 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)CC12COC2 ZINC000452256790 1197048812 /nfs/dbraw/zinc/04/88/12/1197048812.db2.gz 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C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N(C)Cc1nnnn1C)C2=O ZINC000531557932 1197084654 /nfs/dbraw/zinc/08/46/54/1197084654.db2.gz DTUINRSPEUMJQM-PIGZYNQJSA-N 0 0 377.449 0.305 10 0 GCAERN CN(CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1nnnn1C ZINC000531562542 1197084706 /nfs/dbraw/zinc/08/47/06/1197084706.db2.gz CHQZPVPZLYWWLG-GFCCVEGCSA-N 0 0 397.361 0.948 10 0 GCAERN CN(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1nnnn1C ZINC000531562543 1197084871 /nfs/dbraw/zinc/08/48/71/1197084871.db2.gz CHQZPVPZLYWWLG-LBPRGKRZSA-N 0 0 397.361 0.948 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)C1 ZINC000531617513 1197088003 /nfs/dbraw/zinc/08/80/03/1197088003.db2.gz LMFJGTUPFMEGJM-UONOGXRCSA-N 0 0 382.486 0.582 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000531755879 1197095196 /nfs/dbraw/zinc/09/51/96/1197095196.db2.gz KUZJCSKUCAROHW-LSDHHAIUSA-N 0 0 395.481 0.718 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000531863926 1197101250 /nfs/dbraw/zinc/10/12/50/1197101250.db2.gz WCIGSFUFSXRAFX-OAHLLOKOSA-N 0 0 396.513 0.844 10 0 GCAERN CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)NCC)C2)c1 ZINC000531873058 1197102150 /nfs/dbraw/zinc/10/21/50/1197102150.db2.gz HDCAZJBIPJBGFS-AWEZNQCLSA-N 0 0 375.429 0.295 10 0 GCAERN CN(Cc1nnnn1C)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000532068931 1197109752 /nfs/dbraw/zinc/10/97/52/1197109752.db2.gz UYPINXGMQIGOSP-UHFFFAOYSA-N 0 0 392.485 0.586 10 0 GCAERN CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532127249 1197115783 /nfs/dbraw/zinc/11/57/83/1197115783.db2.gz ZWQBUXPIKBDRNL-AWEZNQCLSA-N 0 0 392.518 0.913 10 0 GCAERN CCC(=O)N1CC[C@@H](NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000532141912 1197119936 /nfs/dbraw/zinc/11/99/36/1197119936.db2.gz YHBPLTQZGVDTAH-MRXNPFEDSA-N 0 0 379.505 0.241 10 0 GCAERN O=C(Nc1ccc(O[C@@H]2CC(=O)N2)cc1)C(=O)N[C@@H](CO)CC1CCCC1 ZINC000453694526 1197121448 /nfs/dbraw/zinc/12/14/48/1197121448.db2.gz VYRVYXXZNGTVCJ-RHSMWYFYSA-N 0 0 375.425 0.907 10 0 GCAERN CC(=O)N1CCN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)[C@H](C)C1 ZINC000532170329 1197123173 /nfs/dbraw/zinc/12/31/73/1197123173.db2.gz GKUVMIJPNAYNDY-OAHLLOKOSA-N 0 0 393.509 0.610 10 0 GCAERN CCOc1ncc(C)cc1NC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000453742114 1197127974 /nfs/dbraw/zinc/12/79/74/1197127974.db2.gz IBSHFFWAUAWQNG-UHFFFAOYSA-N 0 0 392.456 0.823 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1scnc1C(C)C ZINC000453747339 1197128806 /nfs/dbraw/zinc/12/88/06/1197128806.db2.gz UDNKMILLXSEWKG-ZJUUUORDSA-N 0 0 384.458 0.778 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnc(CC(C)C)nc2)CC12COC2 ZINC000453789651 1197132284 /nfs/dbraw/zinc/13/22/84/1197132284.db2.gz AKVXYEZHBAOCIH-AWEZNQCLSA-N 0 0 390.440 0.652 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cnn([C@H](C)C3CC3)c2)CC12COC2 ZINC000453800713 1197132341 /nfs/dbraw/zinc/13/23/41/1197132341.db2.gz LKEPFOATCNXAKO-IUODEOHRSA-N 0 0 390.440 0.831 10 0 GCAERN COc1cc(C(=O)N2CCSC[C@H]2CCO)cc(OC)c1OCC(N)=O ZINC000532277155 1197133673 /nfs/dbraw/zinc/13/36/73/1197133673.db2.gz XIHOKMZEXXKKJE-GFCCVEGCSA-N 0 0 384.454 0.508 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccnc2OCC)CC12COC2 ZINC000453798215 1197133721 /nfs/dbraw/zinc/13/37/21/1197133721.db2.gz JGXLPGFTZSRZFP-LBPRGKRZSA-N 0 0 377.397 0.457 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC12COC2 ZINC000453801471 1197137341 /nfs/dbraw/zinc/13/73/41/1197137341.db2.gz MHYRKTPGTLCGFL-AWEZNQCLSA-N 0 0 399.407 0.244 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2OC)CC12COC2 ZINC000453803414 1197138436 /nfs/dbraw/zinc/13/84/36/1197138436.db2.gz OHNDVRCIOZWMDX-ZDUSSCGKSA-N 0 0 376.409 0.980 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cccn2)CC12COC2 ZINC000453805522 1197139105 /nfs/dbraw/zinc/13/91/05/1197139105.db2.gz RSLYTINQPXGVAF-AWEZNQCLSA-N 0 0 398.419 0.849 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)nc2)CC12COC2 ZINC000453805395 1197139247 /nfs/dbraw/zinc/13/92/47/1197139247.db2.gz RFSGSKFNZRVFFA-LLVKDONJSA-N 0 0 399.350 0.660 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N(C)C)CC12COC2 ZINC000453807542 1197139512 /nfs/dbraw/zinc/13/95/12/1197139512.db2.gz VFHJJMMTPJNRAL-ZDUSSCGKSA-N 0 0 375.425 0.729 10 0 GCAERN CN(Cc1nnnn1C)C(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000532322906 1197143992 /nfs/dbraw/zinc/14/39/92/1197143992.db2.gz WZHGJMRQMOHBKP-DYVFJYSZSA-N 0 0 390.444 0.898 10 0 GCAERN Cc1cccc2nc(CN3CCN(S(=O)(=O)N4CCOCC4)CC3)cn21 ZINC000193727498 1197149052 /nfs/dbraw/zinc/14/90/52/1197149052.db2.gz YMRZUDKTIDTBQF-UHFFFAOYSA-N 0 0 379.486 0.337 10 0 GCAERN Cn1c(=O)c2cc(C(=O)Nc3cc(-c4ccncc4)[nH]n3)cnc2n(C)c1=O ZINC000171297665 1197156677 /nfs/dbraw/zinc/15/66/77/1197156677.db2.gz DDZVEGXNJPYNMY-UHFFFAOYSA-N 0 0 377.364 0.670 10 0 GCAERN CN(CC(=O)N1CCN(c2cnccn2)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000171946870 1197159331 /nfs/dbraw/zinc/15/93/31/1197159331.db2.gz VVGBRWYBROLMHG-GOSISDBHSA-N 0 0 394.479 0.863 10 0 GCAERN Cn1ccnc1CN1CCC(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000171938030 1197159340 /nfs/dbraw/zinc/15/93/40/1197159340.db2.gz MJLFTDRATJLFDQ-UHFFFAOYSA-N 0 0 397.545 0.468 10 0 GCAERN Cc1cc(N2CC[C@H](NC(=O)Cn3ccc(=O)c4ccccc43)C2=O)n(C)n1 ZINC000174120122 1197179595 /nfs/dbraw/zinc/17/95/95/1197179595.db2.gz GJGFEVJYQVZPJS-HNNXBMFYSA-N 0 0 379.420 0.965 10 0 GCAERN CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000175721523 1197184563 /nfs/dbraw/zinc/18/45/63/1197184563.db2.gz BOUCDCIVSCWRIR-INIZCTEOSA-N 0 0 391.520 0.241 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)C1 ZINC000532381242 1197186309 /nfs/dbraw/zinc/18/63/09/1197186309.db2.gz ZUJHNEJDNVOXCB-AWEZNQCLSA-N 0 0 384.440 0.603 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)C1 ZINC000532381247 1197186509 /nfs/dbraw/zinc/18/65/09/1197186509.db2.gz ZUJHNEJDNVOXCB-CQSZACIVSA-N 0 0 384.440 0.603 10 0 GCAERN Cn1cc(N2CCN(C(=O)NC3CCN(c4ccccn4)CC3)CC2=O)cn1 ZINC000176442083 1197186951 /nfs/dbraw/zinc/18/69/51/1197186951.db2.gz ISLLEBKSUGWIQI-UHFFFAOYSA-N 0 0 383.456 0.842 10 0 GCAERN Cn1ccnc1CN1CCC(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)CC1 ZINC000177174046 1197188767 /nfs/dbraw/zinc/18/87/67/1197188767.db2.gz RKOTUTZNASQMCE-JKSUJKDBSA-N 0 0 397.545 0.466 10 0 GCAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000177302992 1197190998 /nfs/dbraw/zinc/19/09/98/1197190998.db2.gz WSMXRMLODJZOPQ-ZDUSSCGKSA-N 0 0 395.485 0.971 10 0 GCAERN Nc1c(C(=O)CN2CCC[C@H](c3nncn3C3CC3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000180850999 1197202179 /nfs/dbraw/zinc/20/21/79/1197202179.db2.gz IJLLUKVJCLNMFO-NSHDSACASA-N 0 0 399.455 0.442 10 0 GCAERN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000180950244 1197202864 /nfs/dbraw/zinc/20/28/64/1197202864.db2.gz FUCMJQBGOMHNNC-AWEZNQCLSA-N 0 0 375.454 0.551 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)NC[C@]2(O)CCc3ccccc32)cn1C ZINC000181388662 1197204500 /nfs/dbraw/zinc/20/45/00/1197204500.db2.gz ORCJTUIJXHXONL-GOSISDBHSA-N 0 0 377.466 0.839 10 0 GCAERN O=C(NCCNC(=O)c1ccn[nH]1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000181697067 1197205187 /nfs/dbraw/zinc/20/51/87/1197205187.db2.gz CNCQWYIMVCRISC-NSHDSACASA-N 0 0 378.383 0.996 10 0 GCAERN O=C(NCCNC(=O)c1ccn[nH]1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000181679129 1197205259 /nfs/dbraw/zinc/20/52/59/1197205259.db2.gz WIUFJGJGGPRNQU-NSHDSACASA-N 0 0 377.836 0.766 10 0 GCAERN Cc1cc(C)cc([C@@H]2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)c1 ZINC000183254537 1197209416 /nfs/dbraw/zinc/20/94/16/1197209416.db2.gz PMKNWDCSYPTGHE-CQSZACIVSA-N 0 0 377.466 0.879 10 0 GCAERN NC(=O)[C@@H]1CC(C(=O)NCCc2nnc3n2CCCC3)=NN1c1ccc(F)cc1 ZINC000184117803 1197210579 /nfs/dbraw/zinc/21/05/79/1197210579.db2.gz UQVAXXYCDDORMN-HNNXBMFYSA-N 0 0 399.430 0.532 10 0 GCAERN O=C(CN1CCN(c2ccccn2)CC1)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000185024529 1197213217 /nfs/dbraw/zinc/21/32/17/1197213217.db2.gz MGXOKBRAURAPIP-SFHVURJKSA-N 0 0 394.479 0.910 10 0 GCAERN CCCCn1c2nc(CN3CCO[C@@]4(CCOC4)C3)n(CC)c2c(=O)[nH]c1=O ZINC000185185105 1197213874 /nfs/dbraw/zinc/21/38/74/1197213874.db2.gz VJPHCYMZHZIAPI-IBGZPJMESA-N 0 0 391.472 0.698 10 0 GCAERN C[C@@]1(C(N)=O)CCCCN1CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000185962719 1197226696 /nfs/dbraw/zinc/22/66/96/1197226696.db2.gz OMBMHJUVHLPCNU-INIZCTEOSA-N 0 0 377.836 0.984 10 0 GCAERN Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3Cc4ccccc4C4(CC4)C3)cnc21 ZINC000186004288 1197226704 /nfs/dbraw/zinc/22/67/04/1197226704.db2.gz ZYYOWTKIISWFHG-UHFFFAOYSA-N 0 0 398.444 0.858 10 0 GCAERN Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCCC[C@]2(C)C(N)=O)c1 ZINC000185962672 1197226819 /nfs/dbraw/zinc/22/68/19/1197226819.db2.gz LDOWGLMJIHQMIC-QGZVFWFLSA-N 0 0 375.408 0.778 10 0 GCAERN C[C@H](NC(=O)CNC(=O)CN1CCCC[C@@]1(C)C(N)=O)c1ccc(F)cc1 ZINC000185973418 1197226932 /nfs/dbraw/zinc/22/69/32/1197226932.db2.gz FBUFLPFWLFTZCE-DJJJIMSYSA-N 0 0 378.448 0.849 10 0 GCAERN CNS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000187520779 1197230899 /nfs/dbraw/zinc/23/08/99/1197230899.db2.gz DUQSRBWHELTRFB-GFCCVEGCSA-N 0 0 390.456 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ZINC000674008598 1200094244 /nfs/dbraw/zinc/09/42/44/1200094244.db2.gz LZNSTBGNHPYWOB-UHFFFAOYSA-N 0 0 380.470 0.182 10 0 GCAERN CNS(=O)(=O)c1cc(NC(=O)CN2CCN(C3CC3)C(=O)C2)ccc1C ZINC000674009089 1200096462 /nfs/dbraw/zinc/09/64/62/1200096462.db2.gz YWAYOAMSQDFFEK-UHFFFAOYSA-N 0 0 380.470 0.148 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cnc2c(F)cc(F)cc2c1O ZINC000509203249 1200123766 /nfs/dbraw/zinc/12/37/66/1200123766.db2.gz PDVJMMPOKLTSPO-IUCAKERBSA-N 0 0 395.362 0.992 10 0 GCAERN CCNC(=O)C1CN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000674059886 1200171595 /nfs/dbraw/zinc/17/15/95/1200171595.db2.gz ONBXDYKNMHBGRF-UHFFFAOYSA-N 0 0 395.481 0.224 10 0 GCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000674132909 1200184233 /nfs/dbraw/zinc/18/42/33/1200184233.db2.gz FAYVZWIRWLHEPB-ZFWWWQNUSA-N 0 0 399.538 0.822 10 0 GCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000674166115 1200191922 /nfs/dbraw/zinc/19/19/22/1200191922.db2.gz 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CC(C)(C)n1cnc(NC(=O)C(=O)N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1 ZINC000547356281 1200678328 /nfs/dbraw/zinc/67/83/28/1200678328.db2.gz XDUCBJJFTFWMJO-OAHLLOKOSA-N 0 0 391.394 1.524 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000573163266 1200678505 /nfs/dbraw/zinc/67/85/05/1200678505.db2.gz CAKQBIMJYUYBOZ-UHFFFAOYSA-N 0 0 398.467 0.885 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)C(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)n1 ZINC000445191819 1200679633 /nfs/dbraw/zinc/67/96/33/1200679633.db2.gz WAVPMNCETGAFJO-BMIGLBTASA-N 0 0 391.394 1.571 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)C(=O)NCCCS(=O)(=O)c2ccccc2)n1 ZINC000544200811 1200679655 /nfs/dbraw/zinc/67/96/55/1200679655.db2.gz IRRXQLIZBGDNID-UHFFFAOYSA-N 0 0 393.469 0.952 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000546113941 1200681020 /nfs/dbraw/zinc/68/10/20/1200681020.db2.gz VKWVELIWZKJONZ-OLZOCXBDSA-N 0 0 385.490 1.233 10 0 GCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434802421 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/nfs/dbraw/zinc/87/33/36/1200873336.db2.gz WVCWLXZAODSMNB-UHFFFAOYSA-N 0 0 384.425 0.748 10 0 GCAERN CCN(Cc1c[nH]c2ccccc12)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000443806455 1200892663 /nfs/dbraw/zinc/89/26/63/1200892663.db2.gz FYARKCWKICXGPG-UHFFFAOYSA-N 0 0 397.439 0.835 10 0 GCAERN CCN1C(=O)CCc2cc(NC(=O)C(=O)NCCNc3cnccn3)ccc21 ZINC000546786845 1200894838 /nfs/dbraw/zinc/89/48/38/1200894838.db2.gz SACAMFNXYVFUTD-UHFFFAOYSA-N 0 0 382.424 0.943 10 0 GCAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)n1 ZINC000373788803 1200894911 /nfs/dbraw/zinc/89/49/11/1200894911.db2.gz LFDMUPVOJWARQM-ACJLOTCBSA-N 0 0 380.445 0.826 10 0 GCAERN CN(Cc1nnnn1C)C(=O)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000466704503 1200930804 /nfs/dbraw/zinc/93/08/04/1200930804.db2.gz DCADVNQRKYXLBD-UHFFFAOYSA-N 0 0 388.428 0.691 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000625952002 1200940422 /nfs/dbraw/zinc/94/04/22/1200940422.db2.gz LZYNYRNZLCKCPR-KOLCDFICSA-N 0 0 381.395 0.974 10 0 GCAERN COc1cc(OC)c(C[C@@H](C)NC(=O)C(=O)Nc2cc(C)n(C)n2)c(OC)c1 ZINC000453866220 1200950717 /nfs/dbraw/zinc/95/07/17/1200950717.db2.gz HRDXCBPCEPCIHO-LLVKDONJSA-N 0 0 390.440 1.440 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)c1 ZINC000509378541 1200952573 /nfs/dbraw/zinc/95/25/73/1200952573.db2.gz CETDJHSZFMZLHC-GXTWGEPZSA-N 0 0 398.437 0.162 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)c1 ZINC000509378543 1200953300 /nfs/dbraw/zinc/95/33/00/1200953300.db2.gz CETDJHSZFMZLHC-JSGCOSHPSA-N 0 0 398.437 0.162 10 0 GCAERN CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000466719381 1200989060 /nfs/dbraw/zinc/98/90/60/1200989060.db2.gz RIHFFJLDFGVUDU-UHFFFAOYSA-N 0 0 392.441 0.923 10 0 GCAERN CC[C@@H](C)n1nc(NC(=O)C(=O)N2CCN(c3ccnc(C)n3)CC2)cc1C ZINC000546097282 1200989401 /nfs/dbraw/zinc/98/94/01/1200989401.db2.gz WTLMAQQFHHJWEA-CYBMUJFWSA-N 0 0 385.472 1.548 10 0 GCAERN CCN1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)OC)c2OC)CC1=O ZINC000543671573 1201021265 /nfs/dbraw/zinc/02/12/65/1201021265.db2.gz PSGQDRHVWYMCCD-UHFFFAOYSA-N 0 0 386.426 0.343 10 0 GCAERN Cc1nc(S(=O)(=O)NCCC(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cn1C ZINC000473858432 1201033110 /nfs/dbraw/zinc/03/31/10/1201033110.db2.gz QWLKVOJSFWHAHC-GFCCVEGCSA-N 0 0 382.446 0.610 10 0 GCAERN CCc1nsc(N2CCN(C(=O)C(=O)Nc3ncn(C(C)(C)C)n3)CC2)n1 ZINC000544157431 1201044339 /nfs/dbraw/zinc/04/43/39/1201044339.db2.gz ZAURRSDUMDZXRA-UHFFFAOYSA-N 0 0 392.489 0.734 10 0 GCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000559019734 1201076371 /nfs/dbraw/zinc/07/63/71/1201076371.db2.gz QJCGDXIKFNZYDW-HNNXBMFYSA-N 0 0 379.424 1.192 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000626050146 1201108643 /nfs/dbraw/zinc/10/86/43/1201108643.db2.gz GWEUAAJQSKGXQQ-HNNXBMFYSA-N 0 0 395.475 0.902 10 0 GCAERN CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000543685989 1201142604 /nfs/dbraw/zinc/14/26/04/1201142604.db2.gz 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O=C(NCCCn1nc2n(c1=O)CCCC2)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000164235382 1201337568 /nfs/dbraw/zinc/33/75/68/1201337568.db2.gz CMIFRTWWVLVBSL-GJZGRUSLSA-N 0 0 390.488 0.471 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NC2CCOCC2)cc1C ZINC000728092029 1201396313 /nfs/dbraw/zinc/39/63/13/1201396313.db2.gz BOLBNOUIQHKNDI-UHFFFAOYSA-N 0 0 398.481 0.762 10 0 GCAERN C[C@@H]1Oc2ccc(C(=O)COC(=O)C[C@H]3CCS(=O)(=O)C3)cc2NC1=O ZINC000728095250 1201396543 /nfs/dbraw/zinc/39/65/43/1201396543.db2.gz NCMHPNPDNUEJNJ-WDEREUQCSA-N 0 0 381.406 0.957 10 0 GCAERN CC(C)NS(=O)(=O)CCNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730283805 1201441784 /nfs/dbraw/zinc/44/17/84/1201441784.db2.gz VCSHXCHGTIRQMQ-UHFFFAOYSA-N 0 0 383.470 0.636 10 0 GCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000730308383 1201443449 /nfs/dbraw/zinc/44/34/49/1201443449.db2.gz DZSHTEDDWHLROR-LLVKDONJSA-N 0 0 395.393 0.528 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000730309528 1201443572 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/nfs/dbraw/zinc/58/44/11/530584411.db2.gz KRVAYUPXDHVBBB-UHFFFAOYSA-N 0 0 382.504 0.063 10 0 GCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2N)CC12COC2 ZINC000451618123 530584785 /nfs/dbraw/zinc/58/47/85/530584785.db2.gz DFBXJPAXTFPYDD-SNVBAGLBSA-N 0 0 375.834 0.517 10 0 GCAERN C[C@@H]1CCCN1S(=O)(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000451737546 530588160 /nfs/dbraw/zinc/58/81/60/530588160.db2.gz HOOIJFDCDBDHOM-CYBMUJFWSA-N 0 0 390.531 0.431 10 0 GCAERN COC(=O)c1cc(C)cc(C(=O)NCCS(=O)(=O)N2CCSCC2)c1 ZINC000457555152 530623814 /nfs/dbraw/zinc/62/38/14/530623814.db2.gz TVTQHGPSEJRRKK-UHFFFAOYSA-N 0 0 386.495 0.890 10 0 GCAERN COc1cccc([C@H]2CN(S(=O)(=O)C3CCS(=O)(=O)CC3)CCO2)c1 ZINC000330161008 530627738 /nfs/dbraw/zinc/62/77/38/530627738.db2.gz RMOMZNWOXSZSNR-MRXNPFEDSA-N 0 0 389.495 0.976 10 0 GCAERN O=C(NCCOc1ccc(Br)cc1)NC[C@@H](O)Cn1ccnn1 ZINC000458069874 530628653 /nfs/dbraw/zinc/62/86/53/530628653.db2.gz BLFSKUYKAZUSTJ-GFCCVEGCSA-N 0 0 384.234 0.780 10 0 GCAERN CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)C1 ZINC000330177677 530628689 /nfs/dbraw/zinc/62/86/89/530628689.db2.gz DDHINNMPMWPESJ-LSDHHAIUSA-N 0 0 395.547 0.121 10 0 GCAERN O=C(Cc1ccc(I)cc1)NC[C@@H](O)Cn1ccnn1 ZINC000458152888 530629363 /nfs/dbraw/zinc/62/93/63/530629363.db2.gz XXNZWLXDZWAILU-GFCCVEGCSA-N 0 0 386.193 0.603 10 0 GCAERN COc1ccc(Br)cc1CNC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458109004 530629428 /nfs/dbraw/zinc/62/94/28/530629428.db2.gz FGXZVRIRPNVXAP-LBPRGKRZSA-N 0 0 384.234 0.910 10 0 GCAERN O=C(NC[C@H](O)Cn1ccnn1)c1cc(I)ccc1F ZINC000458143403 530629598 /nfs/dbraw/zinc/62/95/98/530629598.db2.gz PGMYFRRMTTYDOY-VIFPVBQESA-N 0 0 390.156 0.813 10 0 GCAERN CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000459847937 530638793 /nfs/dbraw/zinc/63/87/93/530638793.db2.gz DPDDPZXRIOZDHK-OAHLLOKOSA-N 0 0 396.285 0.951 10 0 GCAERN CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000459847936 530638827 /nfs/dbraw/zinc/63/88/27/530638827.db2.gz DPDDPZXRIOZDHK-HNNXBMFYSA-N 0 0 396.285 0.951 10 0 GCAERN C[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)CCN1S(C)(=O)=O ZINC000618675803 530616669 /nfs/dbraw/zinc/61/66/69/530616669.db2.gz IDPFHYAHQZDYRY-MRVPVSSYSA-N 0 0 378.248 0.656 10 0 GCAERN C[C@H]1CN(S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CCS1(=O)=O ZINC000329633954 530616919 /nfs/dbraw/zinc/61/69/19/530616919.db2.gz SSNVRPRVNIXIBZ-NSHDSACASA-N 0 0 384.479 0.330 10 0 GCAERN COC(=O)c1nscc1S(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000580661395 530617554 /nfs/dbraw/zinc/61/75/54/530617554.db2.gz VVXUGODKKSILON-MFKMUULPSA-N 0 0 390.483 0.776 10 0 GCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192228223 530617785 /nfs/dbraw/zinc/61/77/85/530617785.db2.gz QUCMABALHJOKAG-SNVBAGLBSA-N 0 0 383.651 0.977 10 0 GCAERN COc1ccccc1N1CC[C@@H](NS(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000329784473 530621001 /nfs/dbraw/zinc/62/10/01/530621001.db2.gz VZYXSTBCAVNOGW-CYBMUJFWSA-N 0 0 388.511 0.771 10 0 GCAERN CCOC(=O)c1csc(CCNC(=O)NC[C@H]2CCCS2(=O)=O)n1 ZINC000468661350 530681857 /nfs/dbraw/zinc/68/18/57/530681857.db2.gz UVLUFWNVGXALEU-SNVBAGLBSA-N 0 0 375.472 0.739 10 0 GCAERN Cn1ncc(N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(Cl)c1=O ZINC000302653027 530681952 /nfs/dbraw/zinc/68/19/52/530681952.db2.gz KEQQBVMNFDXXBC-UHFFFAOYSA-N 0 0 383.861 0.408 10 0 GCAERN CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccc3ccccc3n2)CC1 ZINC000333445826 530659247 /nfs/dbraw/zinc/65/92/47/530659247.db2.gz KURIQOFHGZHSTD-UHFFFAOYSA-N 0 0 384.483 0.146 10 0 GCAERN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000333500286 530659813 /nfs/dbraw/zinc/65/98/13/530659813.db2.gz VQCXMHITQBZAHD-UTUOFQBUSA-N 0 0 387.424 0.755 10 0 GCAERN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000333500285 530660125 /nfs/dbraw/zinc/66/01/25/530660125.db2.gz VQCXMHITQBZAHD-TUAOUCFPSA-N 0 0 387.424 0.755 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)c1 ZINC000464339578 530662143 /nfs/dbraw/zinc/66/21/43/530662143.db2.gz SGESQUNFWTZWOG-CQSZACIVSA-N 0 0 379.463 0.970 10 0 GCAERN COC(=O)C(C)(C)CNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000465143002 530665144 /nfs/dbraw/zinc/66/51/44/530665144.db2.gz DJZPIBMXUIFHNQ-UHFFFAOYSA-N 0 0 376.406 0.340 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC000465496583 530666571 /nfs/dbraw/zinc/66/65/71/530666571.db2.gz LUTJMBQABYTWJB-TZMCWYRMSA-N 0 0 390.483 0.469 10 0 GCAERN CN(C)c1ncccc1CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000043051145 530667172 /nfs/dbraw/zinc/66/71/72/530667172.db2.gz VARGRKDCQDGCNS-UHFFFAOYSA-N 0 0 382.218 0.077 10 0 GCAERN CN(CC(=O)N(C)CCOc1ccc(Br)cc1)Cc1nnnn1C ZINC000466494613 530669046 /nfs/dbraw/zinc/66/90/46/530669046.db2.gz FYHSUCXDICUFIU-UHFFFAOYSA-N 0 0 397.277 0.942 10 0 GCAERN CCOC(=O)CN(C1CCC1)S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000466524978 530669910 /nfs/dbraw/zinc/66/99/10/530669910.db2.gz GVDPLJSBOZNEOL-UHFFFAOYSA-N 0 0 390.483 0.701 10 0 GCAERN COCc1c(Br)cccc1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000466718731 530670490 /nfs/dbraw/zinc/67/04/90/530670490.db2.gz OSTRSRNJIWIETG-UHFFFAOYSA-N 0 0 397.233 0.716 10 0 GCAERN CN(Cc1nnnn1C)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000466860527 530671182 /nfs/dbraw/zinc/67/11/82/530671182.db2.gz BPAFWTNACNVJMU-JTQLQIEISA-N 0 0 393.245 0.984 10 0 GCAERN CC(C)[C@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000014537067 210119337 /nfs/dbraw/zinc/11/93/37/210119337.db2.gz UYIJFYBUWBNZCM-ZIAGYGMSSA-N 0 0 385.873 0.696 10 0 GCAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)Cc2nnnn2C)cc1Cl ZINC000467161576 530673014 /nfs/dbraw/zinc/67/30/14/530673014.db2.gz OTRCXSLBBVTHQH-UHFFFAOYSA-N 0 0 376.801 0.782 10 0 GCAERN CN(Cc1nnnn1C)S(=O)(=O)c1cccc(I)c1 ZINC000467160508 530673331 /nfs/dbraw/zinc/67/33/31/530673331.db2.gz SIMNXIQVWWWSBU-UHFFFAOYSA-N 0 0 393.210 0.635 10 0 GCAERN COc1ccc(S(=O)(=O)N(C)Cc2nnnn2C)cc1Br ZINC000467136273 530673423 /nfs/dbraw/zinc/67/34/23/530673423.db2.gz MYPQBDNAQQYZFE-UHFFFAOYSA-N 0 0 376.236 0.802 10 0 GCAERN O=S(=O)(Cc1ccccc1CNS(=O)(=O)c1c[nH]cn1)N1CCCC1 ZINC000532859927 530674115 /nfs/dbraw/zinc/67/41/15/530674115.db2.gz SQJUEKDIFVMSAK-UHFFFAOYSA-N 0 0 384.483 0.814 10 0 GCAERN O=C(NC[C@H](O)C(F)(F)F)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000467707680 530675992 /nfs/dbraw/zinc/67/59/92/530675992.db2.gz SOVXCQKQKMXWJY-LBPRGKRZSA-N 0 0 382.360 0.361 10 0 GCAERN O=C(CCNC(=O)Cc1ccc(Cl)c(F)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000468268383 530679030 /nfs/dbraw/zinc/67/90/30/530679030.db2.gz AEDQNTARZFCDTM-LLVKDONJSA-N 0 0 376.837 0.831 10 0 GCAERN O=C(CCNC(=O)Cc1ccc(Cl)c(F)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000468268384 530679145 /nfs/dbraw/zinc/67/91/45/530679145.db2.gz AEDQNTARZFCDTM-NSHDSACASA-N 0 0 376.837 0.831 10 0 GCAERN Cc1nc(NC(=O)[C@](C)(O)Cn2ccccc2=O)sc1SCC(N)=O ZINC000468273694 530679257 /nfs/dbraw/zinc/67/92/57/530679257.db2.gz BJJGXFVWCNMCRN-OAHLLOKOSA-N 0 0 382.467 0.580 10 0 GCAERN CNS(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)nc1 ZINC000301453461 530679503 /nfs/dbraw/zinc/67/95/03/530679503.db2.gz GRHWGQFCYLTUEM-SNVBAGLBSA-N 0 0 380.392 0.885 10 0 GCAERN CNS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)nc1 ZINC000301453460 530679632 /nfs/dbraw/zinc/67/96/32/530679632.db2.gz GRHWGQFCYLTUEM-JTQLQIEISA-N 0 0 380.392 0.885 10 0 GCAERN C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCS(=O)CC1 ZINC000108277116 530688850 /nfs/dbraw/zinc/68/88/50/530688850.db2.gz HVLYZSVFBKRJBU-JTQLQIEISA-N 0 0 398.428 0.963 10 0 GCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000058875822 530690373 /nfs/dbraw/zinc/69/03/73/530690373.db2.gz VJNIPQRWQJNUCW-AWEZNQCLSA-N 0 0 395.547 0.073 10 0 GCAERN CS(=O)(=O)c1ccc(-n2nnnc2CN2CCSC[C@@H]2CCO)cc1 ZINC000470360212 530693605 /nfs/dbraw/zinc/69/36/05/530693605.db2.gz YYRZITMAGWXFRH-ZDUSSCGKSA-N 0 0 383.499 0.366 10 0 GCAERN COCCNS(=O)(=O)c1ccc(NS(=O)(=O)N2CCC[C@@H]2C)cc1 ZINC000471946504 530702358 /nfs/dbraw/zinc/70/23/58/530702358.db2.gz MPJZWUBAZIUVJV-LBPRGKRZSA-N 0 0 377.488 0.752 10 0 GCAERN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)N2CCC[C@@H]2C)C1 ZINC000472575551 530706416 /nfs/dbraw/zinc/70/64/16/530706416.db2.gz XMIXIEBZOIYGNM-KBPBESRZSA-N 0 0 375.491 0.449 10 0 GCAERN CCN(CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H]1C ZINC000472680837 530706993 /nfs/dbraw/zinc/70/69/93/530706993.db2.gz BLERUWDUGNHMQE-CABCVRRESA-N 0 0 381.564 0.546 10 0 GCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000472647846 530707131 /nfs/dbraw/zinc/70/71/31/530707131.db2.gz GXSXGYBFWCIXLI-OKILXGFUSA-N 0 0 380.536 0.062 10 0 GCAERN CCOC(=O)C[C@H](C)NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000473068833 530709661 /nfs/dbraw/zinc/70/96/61/530709661.db2.gz GWJMCXDNPLBYQG-VIFPVBQESA-N 0 0 376.406 0.482 10 0 GCAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000473249467 530710713 /nfs/dbraw/zinc/71/07/13/530710713.db2.gz MIDXNRKRJGHGBF-MLGOLLRUSA-N 0 0 394.225 0.953 10 0 GCAERN CCS(=O)(=O)N(C)CCCNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000474069028 530714567 /nfs/dbraw/zinc/71/45/67/530714567.db2.gz WTRQIGJECJAIID-MRXNPFEDSA-N 0 0 377.507 0.638 10 0 GCAERN CN1CCC[C@H](NC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1=O ZINC000474678889 530718931 /nfs/dbraw/zinc/71/89/31/530718931.db2.gz ZFWONWXBBMWVOZ-NWDGAFQWSA-N 0 0 383.246 0.896 10 0 GCAERN CC(C)OC(=O)CCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000476899172 530737322 /nfs/dbraw/zinc/73/73/22/530737322.db2.gz BWHAEKRBRPYUCP-CYBMUJFWSA-N 0 0 375.491 0.832 10 0 GCAERN CC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C)C1 ZINC000477183160 530740516 /nfs/dbraw/zinc/74/05/16/530740516.db2.gz RQTSWRRIPOFCBE-LBPRGKRZSA-N 0 0 389.499 0.178 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)c(C)c1 ZINC000370368990 530741594 /nfs/dbraw/zinc/74/15/94/530741594.db2.gz YVSVRQISNAHINI-LBPRGKRZSA-N 0 0 376.456 0.223 10 0 GCAERN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NC[C@H](O)C(F)F ZINC000475225209 530723737 /nfs/dbraw/zinc/72/37/37/530723737.db2.gz UJPRFJKBOVJSAY-AWEZNQCLSA-N 0 0 376.425 0.976 10 0 GCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(Br)cc1-n1cncn1 ZINC000179424506 530725698 /nfs/dbraw/zinc/72/56/98/530725698.db2.gz BIKTZYYDKDWPKA-SNVBAGLBSA-N 0 0 378.186 0.565 10 0 GCAERN O=C(NCCN1CCc2sccc2C1)C(=O)N1CCSC[C@@H]1CCO ZINC000478889907 530754384 /nfs/dbraw/zinc/75/43/84/530754384.db2.gz WCGNPBLWNXAZHW-AWEZNQCLSA-N 0 0 383.539 0.549 10 0 GCAERN CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@](C)(COC)C(F)(F)F)cc1 ZINC000479133629 530755340 /nfs/dbraw/zinc/75/53/40/530755340.db2.gz SZODQADMNPVRMI-LLVKDONJSA-N 0 0 390.405 0.840 10 0 GCAERN CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2C)C1 ZINC000372148344 530763405 /nfs/dbraw/zinc/76/34/05/530763405.db2.gz DHDWRGPTLIMLNV-GFCCVEGCSA-N 0 0 376.456 0.094 10 0 GCAERN Cn1cc(NC(=O)C(=O)N[C@@H](CO)c2cccc(Br)c2)ccc1=O ZINC000183137457 530746258 /nfs/dbraw/zinc/74/62/58/530746258.db2.gz NQQFFESUAZXFKN-ZDUSSCGKSA-N 0 0 394.225 0.936 10 0 GCAERN CCS(=O)(=O)NCCS(=O)(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000480844439 530771228 /nfs/dbraw/zinc/77/12/28/530771228.db2.gz OJGZMJJKDZUYDC-OAHLLOKOSA-N 0 0 392.499 0.035 10 0 GCAERN C/C=C/C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)OCC ZINC000480880845 530772183 /nfs/dbraw/zinc/77/21/83/530772183.db2.gz JLDVFUGPFOOIGO-FVOPLDGLSA-N 0 0 376.456 0.661 10 0 GCAERN O=S(=O)(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(CCO)CC(F)F ZINC000480947735 530774066 /nfs/dbraw/zinc/77/40/66/530774066.db2.gz DHOAOYOMFBTIEV-UHFFFAOYSA-N 0 0 398.453 0.719 10 0 GCAERN Cn1cnc(S(=O)(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1Cl ZINC000121316821 530775947 /nfs/dbraw/zinc/77/59/47/530775947.db2.gz MYRQBRLRFQUTLT-UONOGXRCSA-N 0 0 384.889 0.987 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)NCC2(CS(C)(=O)=O)CC2)c1 ZINC000481534394 530778916 /nfs/dbraw/zinc/77/89/16/530778916.db2.gz XNGQPIYHYXENQU-UHFFFAOYSA-N 0 0 375.472 0.541 10 0 GCAERN CCc1sc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1C ZINC000044712188 530779261 /nfs/dbraw/zinc/77/92/61/530779261.db2.gz RQNIEZOJNWAFCQ-UHFFFAOYSA-N 0 0 387.527 0.954 10 0 GCAERN O=S(=O)(C[C@H]1CCCO1)c1ccc(NS(=O)(=O)N2CCOCC2)cc1 ZINC000481586590 530779260 /nfs/dbraw/zinc/77/92/60/530779260.db2.gz MEUQEMUDFGBFKB-CQSZACIVSA-N 0 0 390.483 0.628 10 0 GCAERN C[C@@H]1COCCN1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000045353479 530780044 /nfs/dbraw/zinc/78/00/44/530780044.db2.gz VGIPZPFXYSLQCW-GFCCVEGCSA-N 0 0 389.499 0.699 10 0 GCAERN COC(=O)C1CCN(S(=O)(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000373677758 530783000 /nfs/dbraw/zinc/78/30/00/530783000.db2.gz AGXWDMVJXNKRFU-MRXNPFEDSA-N 0 0 376.475 0.386 10 0 GCAERN NS(=O)(=O)c1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)s1 ZINC000482210194 530783375 /nfs/dbraw/zinc/78/33/75/530783375.db2.gz LFVJBYGJUJYGKY-UHFFFAOYSA-N 0 0 382.467 0.557 10 0 GCAERN C[C@H](CC(N)=O)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000482305525 530784550 /nfs/dbraw/zinc/78/45/50/530784550.db2.gz BVUHSGGTUKCGDR-MRVPVSSYSA-N 0 0 382.214 0.815 10 0 GCAERN O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@](F)(CO)C2)cc1)N1CCCC1 ZINC000669983044 530786454 /nfs/dbraw/zinc/78/64/54/530786454.db2.gz VBQZVAWTWMEAOF-OAHLLOKOSA-N 0 0 392.474 0.566 10 0 GCAERN CCN(CC)S(=O)(=O)c1ccc(SCC(=O)NCCC(=O)OC)nc1 ZINC000010866260 530764544 /nfs/dbraw/zinc/76/45/44/530764544.db2.gz OSEHXWPBFGUOQC-UHFFFAOYSA-N 0 0 389.499 0.884 10 0 GCAERN O=S(=O)(NC1CC1)c1cccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)c1 ZINC000372430076 530768118 /nfs/dbraw/zinc/76/81/18/530768118.db2.gz YQTKPQPPKGXRKY-JQWIXIFHSA-N 0 0 378.447 0.221 10 0 GCAERN O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCN2CCOC[C@@H]2C1 ZINC000374974186 530797728 /nfs/dbraw/zinc/79/77/28/530797728.db2.gz XHIWDEQLTKZROK-ZDUSSCGKSA-N 0 0 385.511 0.689 10 0 GCAERN NS(=O)(=O)c1cccc(CNC(=O)N2CCC[C@](O)(C(F)(F)F)C2)c1 ZINC000485566145 530799273 /nfs/dbraw/zinc/79/92/73/530799273.db2.gz DYQGECUSWWCZIW-CYBMUJFWSA-N 0 0 381.376 0.933 10 0 GCAERN CN(CCNC(=O)N1CCN2CCOC[C@H]2C1)S(=O)(=O)c1cccs1 ZINC000375209292 530799926 /nfs/dbraw/zinc/79/99/26/530799926.db2.gz FBEOXCSHGWPWLW-CYBMUJFWSA-N 0 0 388.515 0.095 10 0 GCAERN COC(=O)c1c(F)ccc(S(=O)(=O)N2CCCN(CCO)CC2)c1F ZINC000374406955 530791703 /nfs/dbraw/zinc/79/17/03/530791703.db2.gz RYIUQGAEYJLWFW-UHFFFAOYSA-N 0 0 378.397 0.440 10 0 GCAERN C[C@H](O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000269817314 530827224 /nfs/dbraw/zinc/82/72/24/530827224.db2.gz RRJPDMSXEPMZHA-LBPRGKRZSA-N 0 0 376.500 0.718 10 0 GCAERN CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000268348353 530807799 /nfs/dbraw/zinc/80/77/99/530807799.db2.gz IDBGKDKKZJHPFY-UHFFFAOYSA-N 0 0 380.513 0.648 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000487104931 530811035 /nfs/dbraw/zinc/81/10/35/530811035.db2.gz CDVLQMIOPICUHY-DTWKUNHWSA-N 0 0 376.456 0.338 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000487333594 530811732 /nfs/dbraw/zinc/81/17/32/530811732.db2.gz GPXXBFHFNXHOHZ-SFYZADRCSA-N 0 0 382.360 0.839 10 0 GCAERN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 ZINC000056040561 530813369 /nfs/dbraw/zinc/81/33/69/530813369.db2.gz ANZULAVTNMFUBW-HNNXBMFYSA-N 0 0 386.495 0.912 10 0 GCAERN CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)N[C@@H]2CC[C@@H](OC)C2)CC1 ZINC000376568742 530816537 /nfs/dbraw/zinc/81/65/37/530816537.db2.gz HQBWSNRBEONBMA-CHWSQXEVSA-N 0 0 376.475 0.706 10 0 GCAERN CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)N[C@H]2CC[C@@H](OC)C2)CC1 ZINC000376568744 530816742 /nfs/dbraw/zinc/81/67/42/530816742.db2.gz HQBWSNRBEONBMA-QWHCGFSZSA-N 0 0 376.475 0.706 10 0 GCAERN Cc1csc([C@H](C)NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)n1 ZINC000488645854 530818340 /nfs/dbraw/zinc/81/83/40/530818340.db2.gz ODYHIUCAVXTJNL-QMMMGPOBSA-N 0 0 381.439 0.839 10 0 GCAERN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCO[C@H](CO)C3)C2)s1 ZINC000269111235 530821417 /nfs/dbraw/zinc/82/14/17/530821417.db2.gz CZOJCGUQLDKZNR-KBPBESRZSA-N 0 0 388.511 0.677 10 0 GCAERN O=C1NC(=O)[C@@]2(CCCN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)C2)N1 ZINC000377111901 530822107 /nfs/dbraw/zinc/82/21/07/530822107.db2.gz CXSJRZYLOFYJSE-ZDUSSCGKSA-N 0 0 381.307 0.606 10 0 GCAERN CCOC(=O)c1csc(CCNC(=O)NC2CC(NS(C)(=O)=O)C2)n1 ZINC000619760738 530823318 /nfs/dbraw/zinc/82/33/18/530823318.db2.gz QQCVHQBSTRZUSL-UHFFFAOYSA-N 0 0 390.487 0.242 10 0 GCAERN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)C(=O)N1CCSC[C@H]1CCO ZINC000671121263 530847137 /nfs/dbraw/zinc/84/71/37/530847137.db2.gz BYJPPUAOPAYDRD-NWDGAFQWSA-N 0 0 383.436 0.313 10 0 GCAERN C[C@@H]1CN(C(=O)c2nc3ncc(Br)cn3n2)C[C@H]1N1CCOCC1 ZINC000173865952 530847760 /nfs/dbraw/zinc/84/77/60/530847760.db2.gz ONWJMAGUNRAMRB-ZYHUDNBSSA-N 0 0 395.261 0.680 10 0 GCAERN Cc1csc([C@H]2CCCN(C(=O)CNS(=O)(=O)c3cnn(C)c3)C2)n1 ZINC000173068240 530847847 /nfs/dbraw/zinc/84/78/47/530847847.db2.gz DKMZRGXDENCLJA-LBPRGKRZSA-N 0 0 383.499 0.870 10 0 GCAERN CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCN(Cc2ccon2)CC1 ZINC000172797919 530848184 /nfs/dbraw/zinc/84/81/84/530848184.db2.gz BPYUTQMEKKLSSX-UHFFFAOYSA-N 0 0 384.483 0.944 10 0 GCAERN Cc1csc([C@@H]2CCCN(C(=O)CNS(=O)(=O)c3cnn(C)c3)C2)n1 ZINC000173068232 530848225 /nfs/dbraw/zinc/84/82/25/530848225.db2.gz DKMZRGXDENCLJA-GFCCVEGCSA-N 0 0 383.499 0.870 10 0 GCAERN Cc1nnc([C@H]2CN(C(=O)CNC(=O)c3ccc(Br)o3)CCO2)[nH]1 ZINC000174641935 530848598 /nfs/dbraw/zinc/84/85/98/530848598.db2.gz DNSHHDCFFGFMSL-SNVBAGLBSA-N 0 0 398.217 0.799 10 0 GCAERN CCS(=O)(=O)NCCNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000176408034 530850051 /nfs/dbraw/zinc/85/00/51/530850051.db2.gz ADVBZJAZCLYTLW-LLVKDONJSA-N 0 0 376.429 0.782 10 0 GCAERN COc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000178965437 530851903 /nfs/dbraw/zinc/85/19/03/530851903.db2.gz DTDOKTWSMIQUIN-LLVKDONJSA-N 0 0 397.273 0.512 10 0 GCAERN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178685926 530852261 /nfs/dbraw/zinc/85/22/61/530852261.db2.gz XKYPMARJYSMFLI-YPMHNXCESA-N 0 0 380.198 0.074 10 0 GCAERN CCS(=O)(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000068423452 530852320 /nfs/dbraw/zinc/85/23/20/530852320.db2.gz IWOTVPNNXHACTA-CQSZACIVSA-N 0 0 389.543 0.572 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@@H]1N1CCOCC1 ZINC000180251832 530853527 /nfs/dbraw/zinc/85/35/27/530853527.db2.gz UGQAWHPUWCYPMR-YPMHNXCESA-N 0 0 397.273 0.962 10 0 GCAERN O=C(Cn1cc(Br)ccc1=O)NCCc1nnc2n1CCCC2 ZINC000184118211 530854807 /nfs/dbraw/zinc/85/48/07/530854807.db2.gz LSYFYPOEPHNGFD-UHFFFAOYSA-N 0 0 380.246 0.898 10 0 GCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)C1 ZINC000364571942 530856935 /nfs/dbraw/zinc/85/69/35/530856935.db2.gz AMDMMGMCFARQTH-QWHCGFSZSA-N 0 0 375.516 0.228 10 0 GCAERN CC(=O)N1CCc2sc(S(=O)(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)cc2C1 ZINC000656878960 530857149 /nfs/dbraw/zinc/85/71/49/530857149.db2.gz FZVMGDSASBPUGL-PWSUYJOCSA-N 0 0 385.511 0.927 10 0 GCAERN CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(C[C@@H](C)O)CC3)cc2C1 ZINC000656910629 530859461 /nfs/dbraw/zinc/85/94/61/530859461.db2.gz HEKMUNPDAMBJBT-GFCCVEGCSA-N 0 0 387.527 0.340 10 0 GCAERN CN(CCCNC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O)S(C)(=O)=O ZINC000670108644 530863758 /nfs/dbraw/zinc/86/37/58/530863758.db2.gz HWDVPOPPGABUSH-ZIAGYGMSSA-N 0 0 377.507 0.135 10 0 GCAERN CN1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1=O ZINC000191075657 530867914 /nfs/dbraw/zinc/86/79/14/530867914.db2.gz KZZSEONCGSPGLT-UHFFFAOYSA-N 0 0 397.273 0.668 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1[nH]nc(CC)c1Br ZINC000469067025 530842910 /nfs/dbraw/zinc/84/29/10/530842910.db2.gz UYRFPCNBSFVYHJ-SFYZADRCSA-N 0 0 389.250 0.921 10 0 GCAERN CCN(CCNS(=O)(=O)c1cc(C(=O)NC)n(C)c1)CCC(F)(F)F ZINC000494396128 530844782 /nfs/dbraw/zinc/84/47/82/530844782.db2.gz ZALFMSZIODSMSP-UHFFFAOYSA-N 0 0 384.424 0.937 10 0 GCAERN CN(C(=O)[C@@H]1CSCN1C(=O)C1CCCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000646574208 530906710 /nfs/dbraw/zinc/90/67/10/530906710.db2.gz LXIMFPDLOBPPCM-KGLIPLIRSA-N 0 0 389.543 0.570 10 0 GCAERN Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCOC[C@H]1C(N)=O ZINC000272033730 530896443 /nfs/dbraw/zinc/89/64/43/530896443.db2.gz XJECZHUMQNNGHC-NSHDSACASA-N 0 0 377.260 0.941 10 0 GCAERN Cn1cc(CNC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c(C(F)(F)F)n1 ZINC000151759153 530929751 /nfs/dbraw/zinc/92/97/51/530929751.db2.gz UAFZQKPIYFOJQQ-SNVBAGLBSA-N 0 0 383.396 0.662 10 0 GCAERN Cn1cc(CNC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c(C(F)(F)F)n1 ZINC000151759084 530930044 /nfs/dbraw/zinc/93/00/44/530930044.db2.gz UAFZQKPIYFOJQQ-JTQLQIEISA-N 0 0 383.396 0.662 10 0 GCAERN O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CCO[C@H]2CCC[C@@H]21 ZINC000332835672 530934770 /nfs/dbraw/zinc/93/47/70/530934770.db2.gz ZGDFMKJMXFSHJB-KKUMJFAQSA-N 0 0 375.491 0.438 10 0 GCAERN COC(=O)c1ccccc1CS(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000611016802 530931422 /nfs/dbraw/zinc/93/14/22/530931422.db2.gz ZHHLVYFQNYQJTB-UHFFFAOYSA-N 0 0 390.483 0.318 10 0 GCAERN CC(C)Cc1nnc(NC(=O)CN2CCC(CNS(C)(=O)=O)CC2)s1 ZINC000510241516 530924750 /nfs/dbraw/zinc/92/47/50/530924750.db2.gz ODOXALIUERYTNS-UHFFFAOYSA-N 0 0 389.547 0.936 10 0 GCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000097013972 530925781 /nfs/dbraw/zinc/92/57/81/530925781.db2.gz ZWOSTFAJIZGZDE-GFCCVEGCSA-N 0 0 385.471 0.301 10 0 GCAERN COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000510360960 530925954 /nfs/dbraw/zinc/92/59/54/530925954.db2.gz ATIGAIGQNDVVCA-UONOGXRCSA-N 0 0 396.531 0.309 10 0 GCAERN CC(C)Cn1cnc(S(=O)(=O)N2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000510447102 530927195 /nfs/dbraw/zinc/92/71/95/530927195.db2.gz WKSHSYDDBAJYCA-UHFFFAOYSA-N 0 0 378.520 0.489 10 0 GCAERN CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H](C)C3(S(C)(=O)=O)CC3)cc21 ZINC000510555239 530928397 /nfs/dbraw/zinc/92/83/97/530928397.db2.gz UIXWNCCKVGMMFR-NSHDSACASA-N 0 0 386.495 0.840 10 0 GCAERN Cc1ccc2[nH]c(CNS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)nc2c1 ZINC000517455860 530960975 /nfs/dbraw/zinc/96/09/75/530960975.db2.gz NCFSERFBCPTTJM-UHFFFAOYSA-N 0 0 380.451 0.997 10 0 GCAERN CS(=O)(=O)N1CC[C@@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)C1 ZINC000332690989 530934910 /nfs/dbraw/zinc/93/49/10/530934910.db2.gz AULWNHBJFOGKOD-SMDDNHRTSA-N 0 0 383.495 0.887 10 0 GCAERN CS(=O)(=O)NCCc1ccc(C(=O)N2CCSC[C@@H]2CCO)s1 ZINC000511285626 530934986 /nfs/dbraw/zinc/93/49/86/530934986.db2.gz CIKBJJAKIKAODE-NSHDSACASA-N 0 0 378.541 0.780 10 0 GCAERN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCSC[C@H]2CCO)cc1 ZINC000511365208 530936617 /nfs/dbraw/zinc/93/66/17/530936617.db2.gz WANVWOGEERWRRK-QWHCGFSZSA-N 0 0 388.511 0.688 10 0 GCAERN C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@H]1COc2ccccc21 ZINC000130004379 530940893 /nfs/dbraw/zinc/94/08/93/530940893.db2.gz MTUWEIUQGAAGRH-MWLCHTKSSA-N 0 0 394.225 0.980 10 0 GCAERN COC[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)OC ZINC000512415790 530942726 /nfs/dbraw/zinc/94/27/26/530942726.db2.gz QKIYUBZSZLGEPX-CYBMUJFWSA-N 0 0 392.499 0.411 10 0 GCAERN COC(=O)c1cc(S(=O)(=O)NCCCN2CCCS2(=O)=O)c(C)o1 ZINC000611105618 530945130 /nfs/dbraw/zinc/94/51/30/530945130.db2.gz RUXOHRXQZHLECV-UHFFFAOYSA-N 0 0 380.444 0.079 10 0 GCAERN O=C(Nc1ccccc1I)C(=O)N1CCNC(=O)CC1 ZINC000133734566 530946229 /nfs/dbraw/zinc/94/62/29/530946229.db2.gz KOQZEECRSSICKO-UHFFFAOYSA-N 0 0 387.177 0.578 10 0 GCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000366507914 530949069 /nfs/dbraw/zinc/94/90/69/530949069.db2.gz WLWZKJQCVPRVOS-MJBXVCDLSA-N 0 0 394.515 0.158 10 0 GCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194324618 530949933 /nfs/dbraw/zinc/94/99/33/530949933.db2.gz VZJHAXXQNLEKHO-DGCLKSJQSA-N 0 0 389.271 0.903 10 0 GCAERN CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)[N-]CC(F)(F)F ZINC000195464003 530950351 /nfs/dbraw/zinc/95/03/51/530950351.db2.gz LLUCERQILAEITN-CQSZACIVSA-N 0 0 381.420 0.952 10 0 GCAERN O=C(c1nc2ncc(Br)cn2n1)N1CCN(c2cccnn2)CC1 ZINC000195056535 530973341 /nfs/dbraw/zinc/97/33/41/530973341.db2.gz UMPHDUPBUCZVJC-UHFFFAOYSA-N 0 0 389.217 0.639 10 0 GCAERN CCCS(=O)(=O)N1CCC(NC(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)CC1 ZINC000522974348 530978366 /nfs/dbraw/zinc/97/83/66/530978366.db2.gz IWFNEJVYLSOWFB-CHWSQXEVSA-N 0 0 395.547 0.408 10 0 GCAERN CN(C)S(=O)(=O)c1ccc(NC[C@H]2CCC(C)(C)O2)c(S(N)(=O)=O)c1 ZINC000672256049 530982745 /nfs/dbraw/zinc/98/27/45/530982745.db2.gz ZXOSTCHQLLNKBB-LLVKDONJSA-N 0 0 391.515 0.954 10 0 GCAERN 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Cc1nn(C)c2ncc(S(=O)(=O)N3CCO[C@@H](c4cnn(C)c4)C3)cc12 ZINC000097012693 206122535 /nfs/dbraw/zinc/12/25/35/206122535.db2.gz HMVSJHIJTQGFPC-OAHLLOKOSA-N 0 0 376.442 0.772 10 0 GCAERN CCOCC(=O)N1C[C@H](NC(=O)c2cncn2C)C[C@H]1C(=O)N(CC)CC ZINC000096179950 211316617 /nfs/dbraw/zinc/31/66/17/211316617.db2.gz OIJFSUCXXQZZGL-KGLIPLIRSA-N 0 0 379.461 0.024 10 0 GCAERN CCNC(=O)[C@@H]1C[C@@H](NC(=O)CO)CN1Cc1cc2cc(F)ccc2n1C ZINC000091620162 211198178 /nfs/dbraw/zinc/19/81/78/211198178.db2.gz XPSMWAPNOFXKMZ-PBHICJAKSA-N 0 0 376.432 0.505 10 0 GCAERN NC(=O)C1CCN(c2nc3nc(=O)n(-c4ccc(F)cc4)c(=O)c-3c[nH]2)CC1 ZINC000067264268 211006610 /nfs/dbraw/zinc/00/66/10/211006610.db2.gz IZVSJKQEDWGCNZ-UHFFFAOYSA-N 0 0 384.371 0.722 10 0 GCAERN COC(=O)CN1C(=O)[C@@]2(c3ccccc3-c3oc(N)nc32)C(C(=O)OC)=C1C ZINC000020569048 210348269 /nfs/dbraw/zinc/34/82/69/210348269.db2.gz WSVWSZBLKVHYBB-IBGZPJMESA-N 0 0 383.360 0.986 10 0 GCAERN CC(=O)Nc1ccc(N2C[C@H](C(=O)NCCc3nnc(N)s3)CC2=O)cc1 ZINC000020202762 210321311 /nfs/dbraw/zinc/32/13/11/210321311.db2.gz VUTBGRNEXUQPHM-LLVKDONJSA-N 0 0 388.453 0.791 10 0 GCAERN COCCCNC(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C ZINC000064590960 536579435 /nfs/dbraw/zinc/57/94/35/536579435.db2.gz JXXOHSJCSYNBGM-UHFFFAOYSA-N 0 0 377.445 0.872 10 0 GCAERN C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O ZINC000004475323 560198492 /nfs/dbraw/zinc/19/84/92/560198492.db2.gz RIRGCFBBHQEQQH-LNEKFLOWSA-N 0 0 385.424 0.481 10 0 in-vitro GCAERN Cn1nc(-c2ccccn2)cc1NC(=O)N1CCN(CCn2cncn2)CC1 ZINC000096139959 570212752 /nfs/dbraw/zinc/21/27/52/570212752.db2.gz BFUCTQSHONZPQQ-UHFFFAOYSA-N 0 0 381.444 0.923 10 0 GCAERN CCc1noc([C@]2(O)CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)n1 ZINC000328612033 570556639 /nfs/dbraw/zinc/55/66/39/570556639.db2.gz NNKGXCDNJFKPKA-HNNXBMFYSA-N 0 0 379.398 0.496 10 0 GCAERN Cn1cc(-c2nnc3n2CCN(C(=O)[C@@H]2CC(=O)N(Cc4ccco4)C2)C3)cn1 ZINC000370947579 570623845 /nfs/dbraw/zinc/62/38/45/570623845.db2.gz MSOAQEZZIDPABV-CYBMUJFWSA-N 0 0 395.423 0.663 10 0 GCAERN COCCN1CC[C@@H](N2CCCN(C(=O)CCn3nc(C)cc3C)CC2)C1=O ZINC000097078083 570664477 /nfs/dbraw/zinc/66/44/77/570664477.db2.gz XFIYWRVDJRATTL-GOSISDBHSA-N 0 0 391.516 0.672 10 0 GCAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NCCCn2cccn2)cn1 ZINC000275305858 570690202 /nfs/dbraw/zinc/69/02/02/570690202.db2.gz HMEAQTWVIQVZKH-HNNXBMFYSA-N 0 0 380.474 0.671 10 0 GCAERN COC(=O)[C@H]1[C@@H]2[C@H]([C@@H]1C(=O)OC)[C@@H]1C=C(C)[C@H]2[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000253591427 570735141 /nfs/dbraw/zinc/73/51/41/570735141.db2.gz NDJZTJDWRZGDLU-HPDUSWQASA-N 0 0 380.393 0.595 10 0 GCAERN Nc1nc(NCCC2=CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000003800030 581095898 /nfs/dbraw/zinc/09/58/98/581095898.db2.gz SLUGAKUMOFIJEH-LSCFUAHRSA-N 0 0 390.444 0.322 10 0 GCAERN Cn1cc(/C=C\C(=O)OCc2ccc(Br)cn2)c(=O)n(C)c1=O ZINC000255395148 638510197 /nfs/dbraw/zinc/51/01/97/638510197.db2.gz VYLJDQFIRDJUHC-UTCJRWHESA-N 0 0 380.198 0.998 10 0 GCAERN Cn1ncc(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1I ZINC000724603881 638544051 /nfs/dbraw/zinc/54/40/51/638544051.db2.gz KGJMDXJYRVBSFH-WEDXCCLWSA-N 0 0 377.182 0.558 10 0 GCAERN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCCN1CCCS1(=O)=O ZINC000725759285 638547210 /nfs/dbraw/zinc/54/72/10/638547210.db2.gz PKOZBKCEBBFSLE-ZDUSSCGKSA-N 0 0 375.491 0.928 10 0 GCAERN COCCOCCNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000109465291 638592634 /nfs/dbraw/zinc/59/26/34/638592634.db2.gz APOVBQXRAQSNRB-UHFFFAOYSA-N 0 0 381.248 0.489 10 0 GCAERN O=C([C@@H]1C[C@@H](F)CN1S(=O)(=O)c1cccc(F)c1F)N1CCOCC1 ZINC000408025365 638595095 /nfs/dbraw/zinc/59/50/95/638595095.db2.gz BDGXMPHPKAJYDX-PWSUYJOCSA-N 0 0 378.372 0.925 10 0 GCAERN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000408025934 638595129 /nfs/dbraw/zinc/59/51/29/638595129.db2.gz BWDBRHJLJGXQHO-HOTGVXAUSA-N 0 0 388.511 0.574 10 0 GCAERN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408026626 638595838 /nfs/dbraw/zinc/59/58/38/638595838.db2.gz ZONBORHXDPHXFG-FRRDWIJNSA-N 0 0 391.515 0.681 10 0 GCAERN CCOC(=O)N[C@@H]1CCCN(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000725876808 638606349 /nfs/dbraw/zinc/60/63/49/638606349.db2.gz MIKYQQGKEJQAIY-CYBMUJFWSA-N 0 0 376.479 0.332 10 0 GCAERN C#CCN(CC(=O)NCCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066537431 638642934 /nfs/dbraw/zinc/64/29/34/638642934.db2.gz ZVFNKYFOEWLAFY-OAHLLOKOSA-N 0 0 384.885 0.957 10 0 GCAERN CC1(C(=O)N2NC(=O)C[C@]23CCCN(Cc2nnsc2Cl)C3)COC1 ZINC000888103433 638647677 /nfs/dbraw/zinc/64/76/77/638647677.db2.gz GZEKSLYTCSHDKI-HNNXBMFYSA-N 0 0 385.877 0.826 10 0 GCAERN COc1ccc(CCCNC(=S)NCCNS(C)(=O)=O)cc1OC ZINC000727084767 638737394 /nfs/dbraw/zinc/73/73/94/638737394.db2.gz NHMKTMMEQNOCOX-UHFFFAOYSA-N 0 0 375.516 0.650 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=S)N[C@H](C)COC)CC1 ZINC000727703214 639033383 /nfs/dbraw/zinc/03/33/83/639033383.db2.gz AEXJPAGPVGFCGD-CYBMUJFWSA-N 0 0 386.543 0.626 10 0 GCAERN C[C@@H]1CN(S(=O)(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C[C@@H](C)O1 ZINC000263464978 639168197 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/nfs/dbraw/zinc/75/34/78/1184753478.db2.gz PDRRQJIGFIKZQC-KBRIMQKVSA-N 0 0 378.473 0.068 10 0 GCAERN COC(=O)[C@@H](C1CC1)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000543842660 1184769310 /nfs/dbraw/zinc/76/93/10/1184769310.db2.gz HCLWTTJPGYHPOR-QGZVFWFLSA-N 0 0 398.481 0.962 10 0 GCAERN Cn1ccnc1C[C@H](NC(=O)N1CC[C@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000683566546 1184779077 /nfs/dbraw/zinc/77/90/77/1184779077.db2.gz AIABNYXIRPNFJB-GJZGRUSLSA-N 0 0 377.470 0.776 10 0 GCAERN Cn1c2ccc(NC(=O)C(=O)N3CCO[C@@]4(CCCOC4)C3)cc2n(C)c1=O ZINC000288501175 1184785606 /nfs/dbraw/zinc/78/56/06/1184785606.db2.gz JFCGSWCVZHVIDD-IBGZPJMESA-N 0 0 388.424 0.224 10 0 GCAERN CC(=O)N1CCC(CNC(=O)C(=O)NCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000647028139 1184786973 /nfs/dbraw/zinc/78/69/73/1184786973.db2.gz SZAVMBHFVKRYQN-UHFFFAOYSA-N 0 0 397.378 0.999 10 0 GCAERN Cn1cc([C@@H](NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)C(F)(F)F)cn1 ZINC000683644602 1184846034 /nfs/dbraw/zinc/84/60/34/1184846034.db2.gz ZWNYGBRWTGDRAX-SNVBAGLBSA-N 0 0 388.350 0.749 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2c[nH]nc2-c2nccs2)C1 ZINC000683654120 1184858446 /nfs/dbraw/zinc/85/84/46/1184858446.db2.gz FBCQTGKYUBNRNO-VIFPVBQESA-N 0 0 377.430 0.392 10 0 GCAERN CCCCn1c(=O)[nH]nc1SCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000036665765 1184861475 /nfs/dbraw/zinc/86/14/75/1184861475.db2.gz GOTMFFNARUDXSI-UHFFFAOYSA-N 0 0 393.473 0.301 10 0 GCAERN C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CCN1CCO ZINC000547985669 1184876519 /nfs/dbraw/zinc/87/65/19/1184876519.db2.gz KAKSONNAXLPWBE-CQSZACIVSA-N 0 0 381.498 0.514 10 0 GCAERN O=C([C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)OCCO2)N1CCC2(CC1)OCCO2 ZINC000242744043 1184904546 /nfs/dbraw/zinc/90/45/46/1184904546.db2.gz DFLDTXIDFQFAIM-GASCZTMLSA-N 0 0 380.441 0.354 10 0 GCAERN Cn1cc(/C=C\C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)c(=O)n(C)c1=O ZINC000255137588 1184904826 /nfs/dbraw/zinc/90/48/26/1184904826.db2.gz WNCXNLVCDAMDMH-FWWRYZNZSA-N 0 0 390.390 0.771 10 0 GCAERN COC(=O)c1cn([C@H]2CCCN(C(=O)c3cn(C)nc3[C@H]3CCOC3)C2)nn1 ZINC000548011214 1184948756 /nfs/dbraw/zinc/94/87/56/1184948756.db2.gz BYLBDCHRIDQYAL-STQMWFEESA-N 0 0 388.428 0.779 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)N[C@H]3CCCN(CCO)C3=O)c2)n1 ZINC000580031374 1184953444 /nfs/dbraw/zinc/95/34/44/1184953444.db2.gz LJJMHTIPWPMUEY-HNNXBMFYSA-N 0 0 387.444 0.438 10 0 GCAERN CN(Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000275757064 1185027838 /nfs/dbraw/zinc/02/78/38/1185027838.db2.gz RFYVOTAGYSCUSL-ZBFHGGJFSA-N 0 0 398.471 0.231 10 0 GCAERN Cn1c(=O)ccc2ccc(NC(=O)N(CCO)[C@@H]3CCS(=O)(=O)C3)cc21 ZINC000683797437 1185051165 /nfs/dbraw/zinc/05/11/65/1185051165.db2.gz XXDAKIXFSLERQU-CQSZACIVSA-N 0 0 379.438 0.552 10 0 GCAERN O=C(CN1CCOCC1=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000548059948 1185054093 /nfs/dbraw/zinc/05/40/93/1185054093.db2.gz MCQKZNWUPOBFOR-UHFFFAOYSA-N 0 0 386.452 0.771 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000548064543 1185071299 /nfs/dbraw/zinc/07/12/99/1185071299.db2.gz YRNKISNTIIUOOX-FQEVSTJZSA-N 0 0 385.468 0.933 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 ZINC000548065183 1185087950 /nfs/dbraw/zinc/08/79/50/1185087950.db2.gz XPGFFSWSILWKHP-NRFANRHFSA-N 0 0 398.463 0.663 10 0 GCAERN C[C@@H](CN1CCOCC1)C(=O)N1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000580269471 1185136590 /nfs/dbraw/zinc/13/65/90/1185136590.db2.gz ZJEMDCYJYAIQAB-GXTWGEPZSA-N 0 0 377.445 0.594 10 0 GCAERN C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275829106 1185161966 /nfs/dbraw/zinc/16/19/66/1185161966.db2.gz VHIZGPXLADMYQQ-ARFHVFGLSA-N 0 0 378.473 0.840 10 0 GCAERN Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)cc21 ZINC000683872329 1185163614 /nfs/dbraw/zinc/16/36/14/1185163614.db2.gz CNHUZIUSARUOJI-WMZOPIPTSA-N 0 0 398.463 0.535 10 0 GCAERN Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCN(CCO)C(C)(C)C3)cc21 ZINC000683874149 1185166634 /nfs/dbraw/zinc/16/66/34/1185166634.db2.gz ZMBCAHZJITYIPH-UHFFFAOYSA-N 0 0 386.452 0.392 10 0 GCAERN COC(=O)/C(C)=C/COC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000748164385 1185204356 /nfs/dbraw/zinc/20/43/56/1185204356.db2.gz BKLYPJILMHBJIL-XYOKQWHBSA-N 0 0 398.437 0.329 10 0 GCAERN Cn1cc(-c2ccc(NC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)nn2)cn1 ZINC000683966483 1185258143 /nfs/dbraw/zinc/25/81/43/1185258143.db2.gz FPBMDKRIVSMWQY-OAHLLOKOSA-N 0 0 385.428 0.779 10 0 GCAERN CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000580588480 1185283259 /nfs/dbraw/zinc/28/32/59/1185283259.db2.gz LIOWHNWNURONGL-LSDHHAIUSA-N 0 0 391.468 0.784 10 0 GCAERN CC(=O)N1CCCc2cc(NC(=O)C(=O)N3CC[C@]4(CNC(=O)C4)C3)ccc21 ZINC000684030141 1185306898 /nfs/dbraw/zinc/30/68/98/1185306898.db2.gz GUVMJKZUWPQELX-FQEVSTJZSA-N 0 0 384.436 0.663 10 0 GCAERN O=C(Nc1nc(C2CCOCC2)cs1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000580911276 1185413930 /nfs/dbraw/zinc/41/39/30/1185413930.db2.gz WFLQWPUOBKGZKV-QGZVFWFLSA-N 0 0 381.454 0.994 10 0 GCAERN Cn1nc([C@H]2CCCOC2)cc1NC(=O)NCCCN1CCCS1(=O)=O ZINC000684125050 1185448689 /nfs/dbraw/zinc/44/86/89/1185448689.db2.gz ZQRSRIUREHQYJH-ZDUSSCGKSA-N 0 0 385.490 0.861 10 0 GCAERN CC(=O)N1CCC[C@H]1C(=O)NCC(C)(C)N(C)C(=O)[C@@H]1CCCN1C(C)=O ZINC000580986227 1185461980 /nfs/dbraw/zinc/46/19/80/1185461980.db2.gz FIGXROWBIMVJRJ-HOTGVXAUSA-N 0 0 380.489 0.361 10 0 GCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000276013884 1185473312 /nfs/dbraw/zinc/47/33/12/1185473312.db2.gz BGHRARZZHDQGJL-UGFHNGPFSA-N 0 0 377.426 0.625 10 0 GCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000276013867 1185473477 /nfs/dbraw/zinc/47/34/77/1185473477.db2.gz BGHRARZZHDQGJL-CQDKDKBSSA-N 0 0 377.426 0.625 10 0 GCAERN O=C(CN1CCOCC1=O)Nc1nc(-c2cccc(-n3cnnn3)c2)cs1 ZINC000684138422 1185479237 /nfs/dbraw/zinc/47/92/37/1185479237.db2.gz QKLFQKTXKCLNLA-UHFFFAOYSA-N 0 0 385.409 0.583 10 0 GCAERN Cn1cc(/C=C/C(=O)NC[C@](C)(O)c2ccccc2Cl)c(=O)n(C)c1=O ZINC000155986620 1185480981 /nfs/dbraw/zinc/48/09/81/1185480981.db2.gz PDWANHQQQOITCZ-BLGFXRMMSA-N 0 0 377.828 0.775 10 0 GCAERN CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CCOC3(CCSCC3)C2)CC1=O ZINC000581096992 1185495803 /nfs/dbraw/zinc/49/58/03/1185495803.db2.gz FUMMRQSAEGEHFA-HNNXBMFYSA-N 0 0 397.541 0.874 10 0 GCAERN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000610479080 1185502642 /nfs/dbraw/zinc/50/26/42/1185502642.db2.gz UXKVUICKKNUJHE-CABCVRRESA-N 0 0 397.472 0.518 10 0 GCAERN Cc1cc(N2CCC(NC(=O)C(=O)N3CCOCC4(CC4)C3)CC2)nc(C)n1 ZINC000581155217 1185519714 /nfs/dbraw/zinc/51/97/14/1185519714.db2.gz UPYYQSDZSQVKJH-UHFFFAOYSA-N 0 0 387.484 0.817 10 0 GCAERN CN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C1 ZINC000276077803 1185549326 /nfs/dbraw/zinc/54/93/26/1185549326.db2.gz VDGWOQOUJNBNCU-GLJUWKHASA-N 0 0 375.498 0.963 10 0 GCAERN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)CC1 ZINC000276095920 1185568900 /nfs/dbraw/zinc/56/89/00/1185568900.db2.gz WHYBSRZJKDYKCV-JKSUJKDBSA-N 0 0 389.500 0.693 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000624485791 1185584653 /nfs/dbraw/zinc/58/46/53/1185584653.db2.gz FBJSVOJEOPBIBH-GFCCVEGCSA-N 0 0 394.438 0.796 10 0 GCAERN CO[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC[C@H]1C ZINC000276147625 1185610504 /nfs/dbraw/zinc/61/05/04/1185610504.db2.gz PWKXRKPPEWUZBZ-HZPDHXFCSA-N 0 0 390.488 0.582 10 0 GCAERN CN1CCO[C@H](CN(CC2CC2)C(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 ZINC000276198358 1185677341 /nfs/dbraw/zinc/67/73/41/1185677341.db2.gz JDDXXUMKQFIURA-KRWDZBQOSA-N 0 0 387.484 0.201 10 0 GCAERN Cc1nc(C)n(C2CN(C(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)C2)n1 ZINC000328795473 1185707584 /nfs/dbraw/zinc/70/75/84/1185707584.db2.gz UCDTTWHFWSYLAI-JTQLQIEISA-N 0 0 381.433 0.784 10 0 GCAERN CC(=O)N1CCN(C(=O)CNc2cccc(CN3CCCS3(=O)=O)c2)CC1 ZINC000656655730 1185770055 /nfs/dbraw/zinc/77/00/55/1185770055.db2.gz LYYUHIJMNAZDDJ-UHFFFAOYSA-N 0 0 394.497 0.325 10 0 GCAERN CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN2CCOC[C@H]2C1 ZINC000558849995 1185791121 /nfs/dbraw/zinc/79/11/21/1185791121.db2.gz HKUOGFWDOWEQEW-MRXNPFEDSA-N 0 0 381.444 0.462 10 0 GCAERN C[C@H](CN1CCCC1=O)NC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000276454196 1185829656 /nfs/dbraw/zinc/82/96/56/1185829656.db2.gz MTGBJOQGGPWQJL-KGLIPLIRSA-N 0 0 376.461 0.059 10 0 GCAERN CO[C@@H]1CC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000471682047 1185863439 /nfs/dbraw/zinc/86/34/39/1185863439.db2.gz DFHOWQOLZVHGNH-HUUCEWRRSA-N 0 0 383.470 0.949 10 0 GCAERN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CC[C@H](OC)C2)c1 ZINC000471696285 1185888108 /nfs/dbraw/zinc/88/81/08/1185888108.db2.gz GQPOZFUQODXSRJ-KGLIPLIRSA-N 0 0 385.486 0.563 10 0 GCAERN CO[C@H]1CC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000471696217 1185888288 /nfs/dbraw/zinc/88/82/88/1185888288.db2.gz GGWZLDTXJXZCRI-CABCVRRESA-N 0 0 383.470 0.997 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)c1 ZINC000471728248 1185911810 /nfs/dbraw/zinc/91/18/10/1185911810.db2.gz SXUJVEGOZNVPHR-UHFFFAOYSA-N 0 0 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CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C[C@@]2(CCOC2)O1 ZINC000684523782 1186057441 /nfs/dbraw/zinc/05/74/41/1186057441.db2.gz HKHBHJFUDSUTHB-RDTXWAMCSA-N 0 0 396.465 0.356 10 0 GCAERN NS(=O)(=O)c1ccc(N2CCN(C(=O)Cc3cccc(O)c3)CC2)cc1 ZINC000510806296 1186115432 /nfs/dbraw/zinc/11/54/32/1186115432.db2.gz IISNOVSTLNCNQA-UHFFFAOYSA-N 0 0 375.450 0.931 10 0 GCAERN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCn2ncnc2C1 ZINC000548437581 1186116382 /nfs/dbraw/zinc/11/63/82/1186116382.db2.gz NIOOSKUFCGJREH-UHFFFAOYSA-N 0 0 375.454 0.721 10 0 GCAERN COc1ccc([C@H]2NC(=O)N(CCCN3CCCS3(=O)=O)C2=O)cc1F ZINC000684547974 1186118704 /nfs/dbraw/zinc/11/87/04/1186118704.db2.gz POJXLWFQNWKJAN-CQSZACIVSA-N 0 0 385.417 0.853 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)OC)c2ccccc2F)cn1C ZINC000610702230 1186127892 /nfs/dbraw/zinc/12/78/92/1186127892.db2.gz IJCHHWVAMACUFU-AWEZNQCLSA-N 0 0 383.401 0.716 10 0 GCAERN Cn1c2ccc(S(=O)(=O)N(CC3CC3)C[C@@H]3CN(C)CCO3)cc2oc1=O ZINC000276902530 1186141646 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GCAERN NC(=O)N[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 ZINC000535713292 1186201970 /nfs/dbraw/zinc/20/19/70/1186201970.db2.gz KNENKCRCLATINB-ZDUSSCGKSA-N 0 0 392.437 0.641 10 0 GCAERN CC[C@@H](C(=O)NC[C@@H](O)Cn1ccnn1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000458126945 1186204211 /nfs/dbraw/zinc/20/42/11/1186204211.db2.gz CCABPCBMNLJUNA-KGLIPLIRSA-N 0 0 390.835 0.713 10 0 GCAERN CC(C)C[C@H](C(=O)NC[C@H](O)Cn1ccnn1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000458131011 1186205105 /nfs/dbraw/zinc/20/51/05/1186205105.db2.gz QQSGEXIKCNTZKM-CAOSSQGBSA-N 0 0 389.456 0.121 10 0 GCAERN O=C(NC[C@H](O)Cn1ccnn1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000458143373 1186205841 /nfs/dbraw/zinc/20/58/41/1186205841.db2.gz PELJFVSKEMOEFF-JTQLQIEISA-N 0 0 377.298 0.743 10 0 GCAERN CCCCCn1nc(C(=O)NC[C@H](O)Cn2ccnn2)c2ccccc2c1=O ZINC000458120292 1186206089 /nfs/dbraw/zinc/20/60/89/1186206089.db2.gz DVLRALRVUQJEIM-AWEZNQCLSA-N 0 0 384.440 0.969 10 0 GCAERN O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NC[C@@H](O)Cn1ccnn1 ZINC000458132588 1186206531 /nfs/dbraw/zinc/20/65/31/1186206531.db2.gz SNHSLECGKFCXOJ-LZUXJJCOSA-N 0 0 375.473 0.478 10 0 GCAERN O=C(NC[C@H](O)Cn1ccnn1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000458146499 1186206863 /nfs/dbraw/zinc/20/68/63/1186206863.db2.gz RWJUGOSJAHVGOC-JQWIXIFHSA-N 0 0 381.795 0.601 10 0 GCAERN Cc1ccc(S(=O)(=O)NCCCC(=O)NC[C@H](O)Cn2ccnn2)cc1C ZINC000458135539 1186207108 /nfs/dbraw/zinc/20/71/08/1186207108.db2.gz WOSXXFXETDEKDI-HNNXBMFYSA-N 0 0 395.485 0.131 10 0 GCAERN COc1ccc(C(=O)N[C@H](C(=O)NC[C@@H](O)Cn2ccnn2)C(C)C)cc1 ZINC000458137197 1186207115 /nfs/dbraw/zinc/20/71/15/1186207115.db2.gz YQHPVUUOXKZQFV-ZBFHGGJFSA-N 0 0 375.429 0.218 10 0 GCAERN COc1ccc(-n2ccnc2SCC(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458135667 1186207484 /nfs/dbraw/zinc/20/74/84/1186207484.db2.gz KFOBRUOMKVYKKZ-AWEZNQCLSA-N 0 0 388.453 0.742 10 0 GCAERN COc1ccc(C(=O)N[C@@H](C(=O)NC[C@H](O)Cn2ccnn2)C(C)C)cc1 ZINC000458137191 1186207542 /nfs/dbraw/zinc/20/75/42/1186207542.db2.gz YQHPVUUOXKZQFV-GOEBONIOSA-N 0 0 375.429 0.218 10 0 GCAERN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NC[C@H](O)Cn2ccnn2)C1 ZINC000458217727 1186217002 /nfs/dbraw/zinc/21/70/02/1186217002.db2.gz FAFCKHRCQBLXJK-KBPBESRZSA-N 0 0 394.863 0.879 10 0 GCAERN Cn1cnc(CNC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000535797277 1186217349 /nfs/dbraw/zinc/21/73/49/1186217349.db2.gz QTRXKFHJPKNYLE-UHFFFAOYSA-N 0 0 392.847 0.901 10 0 GCAERN O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCSC[C@H]1CCO ZINC000535797217 1186217378 /nfs/dbraw/zinc/21/73/78/1186217378.db2.gz WRVYWWGERKHRIV-GFCCVEGCSA-N 0 0 376.438 0.772 10 0 GCAERN C[C@H](NC(=O)CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc(F)cc1 ZINC000023302995 1186220938 /nfs/dbraw/zinc/22/09/38/1186220938.db2.gz YCMHDBYFKWZXNT-YOEHRIQHSA-N 0 0 383.489 0.808 10 0 GCAERN NS(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000150751396 1186270111 /nfs/dbraw/zinc/27/01/11/1186270111.db2.gz AVZKPQMMIXPJFK-LBPRGKRZSA-N 0 0 388.440 0.575 10 0 GCAERN COc1ccc(C(C)(C)CNC(=O)NC[C@H](O)Cn2ccnn2)cc1OC ZINC000458319035 1186270794 /nfs/dbraw/zinc/27/07/94/1186270794.db2.gz KBKYQDVYIHBORM-AWEZNQCLSA-N 0 0 377.445 0.933 10 0 GCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000684639283 1186287387 /nfs/dbraw/zinc/28/73/87/1186287387.db2.gz XTVNYVSXPCLBKE-UHFFFAOYSA-N 0 0 399.517 0.850 10 0 GCAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000151514446 1186290628 /nfs/dbraw/zinc/29/06/28/1186290628.db2.gz TXBGQTCKNFAQSM-AWEZNQCLSA-N 0 0 377.470 0.727 10 0 GCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC000277230740 1186299883 /nfs/dbraw/zinc/29/98/83/1186299883.db2.gz OCFPGJZLJBQIEC-ADAWSYLGSA-N 0 0 388.468 0.995 10 0 GCAERN Cc1cc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000156779066 1186329863 /nfs/dbraw/zinc/32/98/63/1186329863.db2.gz UUHPLLPJKDUFPR-OAHLLOKOSA-N 0 0 386.330 0.080 10 0 GCAERN Cc1cc(NC(=O)C(=O)NCCCNS(C)(=O)=O)n(-c2ccccc2C)n1 ZINC000536401884 1186333860 /nfs/dbraw/zinc/33/38/60/1186333860.db2.gz PFGSYLAVFOQVJK-UHFFFAOYSA-N 0 0 393.469 0.483 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C2CCC(NC(=O)COCCOC)CC2)C1 ZINC000472127827 1186366669 /nfs/dbraw/zinc/36/66/69/1186366669.db2.gz JFVZJOPKDJXNKX-UYSNPLJNSA-N 0 0 398.504 0.244 10 0 GCAERN CNC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000022195395 1186370554 /nfs/dbraw/zinc/37/05/54/1186370554.db2.gz DZRLRRCYVZCNSP-ZDUSSCGKSA-N 0 0 394.497 0.020 10 0 GCAERN CO[C@H]1CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1 ZINC000472145998 1186388414 /nfs/dbraw/zinc/38/84/14/1186388414.db2.gz PHGRXDZTMXJZNT-CVEARBPZSA-N 0 0 390.488 0.712 10 0 GCAERN CCCCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(C(=O)NCC)C2)CC1 ZINC000472153105 1186398024 /nfs/dbraw/zinc/39/80/24/1186398024.db2.gz HCLABXURKWIHHX-HNNXBMFYSA-N 0 0 388.534 0.748 10 0 GCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)NCCc2ccc(-n3cccn3)cc2)C[C@H]1C ZINC000559515723 1186420224 /nfs/dbraw/zinc/42/02/24/1186420224.db2.gz YWLMKCMOHJBYHY-IAGOWNOFSA-N 0 0 399.495 0.445 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(OC)nc2Cl)CC1 ZINC000785119784 1186439353 /nfs/dbraw/zinc/43/93/53/1186439353.db2.gz VKHPPINMTIIZAW-UHFFFAOYSA-N 0 0 398.847 0.778 10 0 GCAERN CC(=O)N1CCN(c2cccc(NC(=O)CN(C)Cc3nnc(C)n3C)c2)CC1 ZINC000548706012 1186466114 /nfs/dbraw/zinc/46/61/14/1186466114.db2.gz VTOYFXDFWWQPNF-UHFFFAOYSA-N 0 0 399.499 0.863 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1 ZINC000582280056 1186485584 /nfs/dbraw/zinc/48/55/84/1186485584.db2.gz QNKMXXCVUJIDEV-SGIREYDYSA-N 0 0 393.465 0.293 10 0 GCAERN COc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](OC)C2)cc1[C@]1(C)NC(=O)NC1=O ZINC000472209652 1186487604 /nfs/dbraw/zinc/48/76/04/1186487604.db2.gz YAXZMYCIKVASAC-AGKHESDQSA-N 0 0 397.453 0.596 10 0 GCAERN O=C(CN1CCOCC1=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000548719923 1186487667 /nfs/dbraw/zinc/48/76/67/1186487667.db2.gz UXYSNSFBJZFDOS-UHFFFAOYSA-N 0 0 395.481 0.087 10 0 GCAERN CCOC(=O)CNC(=O)[C@H]1COCCN1Cc1nc(-c2ccc(C)cc2)no1 ZINC000548726605 1186494761 /nfs/dbraw/zinc/49/47/61/1186494761.db2.gz 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1186618178 /nfs/dbraw/zinc/61/81/78/1186618178.db2.gz YFOUWFQRMVXTGG-LMVHVUTASA-N 0 0 397.353 0.966 10 0 GCAERN CC(=O)N(C)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000785148645 1186657278 /nfs/dbraw/zinc/65/72/78/1186657278.db2.gz HLVHJJGLIOFAFA-CYBMUJFWSA-N 0 0 375.425 0.905 10 0 GCAERN CC(=O)N(C)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000785149691 1186664201 /nfs/dbraw/zinc/66/42/01/1186664201.db2.gz HTAOEWRRVOULFZ-UHFFFAOYSA-N 0 0 387.436 0.907 10 0 GCAERN O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000685024261 1186666576 /nfs/dbraw/zinc/66/65/76/1186666576.db2.gz LKDPPUKTPSMKQS-UHFFFAOYSA-N 0 0 399.451 0.722 10 0 GCAERN O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N[C@@H]1CCCc2c1cnn2CCO ZINC000685025360 1186668330 /nfs/dbraw/zinc/66/83/30/1186668330.db2.gz LCWTWZIRZVPUFP-MRXNPFEDSA-N 0 0 397.435 0.744 10 0 GCAERN C=CCNC(=O)NC(=O)COC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 ZINC000023058525 1186684715 /nfs/dbraw/zinc/68/47/15/1186684715.db2.gz ZUOQZZUUYCXBBP-HNNXBMFYSA-N 0 0 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1186844827 /nfs/dbraw/zinc/84/48/27/1186844827.db2.gz MSFDBYBEMWRQLL-AWEZNQCLSA-N 0 0 387.440 0.883 10 0 GCAERN O=C(NCc1cc2c(cc1OC(F)F)OCO2)NC[C@H](O)Cn1ccnn1 ZINC000458518014 1186849386 /nfs/dbraw/zinc/84/93/86/1186849386.db2.gz ISEDALAHKIIPIY-JTQLQIEISA-N 0 0 385.327 0.469 10 0 GCAERN COc1cccc(CCNC(=O)NCC2(N3CCOCC3)CCOCC2)n1 ZINC000458535239 1186860504 /nfs/dbraw/zinc/86/05/04/1186860504.db2.gz ZFGWQSHFHOUPPW-UHFFFAOYSA-N 0 0 378.473 0.813 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000468324126 1186867501 /nfs/dbraw/zinc/86/75/01/1186867501.db2.gz RQNPSEDTIQWKCB-HNNXBMFYSA-N 0 0 379.354 0.644 10 0 GCAERN Cn1cc(S(=O)(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cc1C(N)=O ZINC000156663316 1186869283 /nfs/dbraw/zinc/86/92/83/1186869283.db2.gz JNKCEIUZSAPBBR-JTQLQIEISA-N 0 0 384.408 0.959 10 0 GCAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCN(C(=O)CO)CC1)CC2 ZINC000156751467 1186875638 /nfs/dbraw/zinc/87/56/38/1186875638.db2.gz IMUYMHZHTGQJND-NSHDSACASA-N 0 0 386.374 0.572 10 0 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CO[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C1 ZINC000472514501 1187675262 /nfs/dbraw/zinc/67/52/62/1187675262.db2.gz LDTSKBOHICCWIY-JSGCOSHPSA-N 0 0 383.470 0.868 10 0 GCAERN Cc1cc(N2CCC[C@H](N3CCN(c4nccc(CO)n4)CC3)C2=O)n(C)n1 ZINC000472515048 1187678425 /nfs/dbraw/zinc/67/84/25/1187678425.db2.gz LLTUQYXWGFNBQW-INIZCTEOSA-N 0 0 385.472 0.328 10 0 GCAERN COCC(=O)N1CCc2cc(NC(=O)C(=O)N[C@@H]3CC[C@H](OC)C3)ccc21 ZINC000472521859 1187695502 /nfs/dbraw/zinc/69/55/02/1187695502.db2.gz YPTOCQXZHCLFDY-CABCVRRESA-N 0 0 375.425 0.844 10 0 GCAERN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](OC)C2)cc1 ZINC000472528209 1187703960 /nfs/dbraw/zinc/70/39/60/1187703960.db2.gz KOJPISZKINGVKN-HUUCEWRRSA-N 0 0 391.424 0.141 10 0 GCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000472534742 1187714782 /nfs/dbraw/zinc/71/47/82/1187714782.db2.gz BSJORKKPISOYIB-HOTGVXAUSA-N 0 0 375.425 0.781 10 0 GCAERN CO[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000472534739 1187715030 /nfs/dbraw/zinc/71/50/30/1187715030.db2.gz BSJORKKPISOYIB-CVEARBPZSA-N 0 0 375.425 0.781 10 0 GCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000173160774 1187719019 /nfs/dbraw/zinc/71/90/19/1187719019.db2.gz PZDWAPDSANYOLP-NSHDSACASA-N 0 0 382.428 0.699 10 0 GCAERN C#CCN(CC(=O)NC(=O)Nc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066537598 1187726974 /nfs/dbraw/zinc/72/69/74/1187726974.db2.gz AVCYBAURAVCHCW-AWEZNQCLSA-N 0 0 379.438 0.466 10 0 GCAERN C#CCN(CC(=O)NCC(=O)Nc1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000066537541 1187727225 /nfs/dbraw/zinc/72/72/25/1187727225.db2.gz OFJCENBNWQOPPF-MRXNPFEDSA-N 0 0 391.493 0.426 10 0 GCAERN C#CCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066539345 1187727877 /nfs/dbraw/zinc/72/78/77/1187727877.db2.gz PXYQCKZJMSDPMN-CYBMUJFWSA-N 0 0 399.419 0.142 10 0 GCAERN Cn1c(=O)cc(CS(=O)(=O)Cc2ccn(-c3ccc(F)cc3)n2)n(C)c1=O ZINC000173910161 1187741868 /nfs/dbraw/zinc/74/18/68/1187741868.db2.gz OCBXUCDKKZOJFT-UHFFFAOYSA-N 0 0 392.412 0.524 10 0 GCAERN COCCOc1ccc(F)cc1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000376299279 1187753504 /nfs/dbraw/zinc/75/35/04/1187753504.db2.gz AVWUDQNXPQPICB-AWEZNQCLSA-N 0 0 381.404 0.332 10 0 GCAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCC(=O)N2CCCC2)CC1 ZINC000332777606 1187770749 /nfs/dbraw/zinc/77/07/49/1187770749.db2.gz LQHZGJSMRXHQHA-HNNXBMFYSA-N 0 0 379.505 0.383 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CC[C@](C(=O)OC)(C(F)(F)F)C2)C1 ZINC000376338866 1187773675 /nfs/dbraw/zinc/77/36/75/1187773675.db2.gz RTLDUPGWJILSOI-YGRLFVJLSA-N 0 0 380.367 0.927 10 0 GCAERN O=C(NCCc1cccnc1)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332795391 1187777486 /nfs/dbraw/zinc/77/74/86/1187777486.db2.gz HIAQDHQNKHTJLU-ZACQAIPSSA-N 0 0 393.509 0.850 10 0 GCAERN O=C(NCC1CCOCC1)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332814060 1187782920 /nfs/dbraw/zinc/78/29/20/1187782920.db2.gz SADRRUULYUAOCR-XHSDSOJGSA-N 0 0 386.514 0.639 10 0 GCAERN 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ZINC000376554289 1187923711 /nfs/dbraw/zinc/92/37/11/1187923711.db2.gz SOCJTTBRHBRHAK-ZDUSSCGKSA-N 0 0 392.481 0.723 10 0 GCAERN O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000031248265 1187929004 /nfs/dbraw/zinc/92/90/04/1187929004.db2.gz XVRCCVVJTGTWOH-UHFFFAOYSA-N 0 0 379.482 0.510 10 0 GCAERN O=C(COc1ccccc1)N1CC[C@H](NC(=O)[C@@]23CCC(=O)N2CCS3)C1 ZINC000549100818 1187942505 /nfs/dbraw/zinc/94/25/05/1187942505.db2.gz NJGSBTUTFJLVCR-LIRRHRJNSA-N 0 0 389.477 0.848 10 0 GCAERN COc1c(F)cc(CC(=O)OCc2nnc3n2CCCC3)cc1S(N)(=O)=O ZINC000782914251 1187956600 /nfs/dbraw/zinc/95/66/00/1187956600.db2.gz QHPOYXNHDVLAQO-UHFFFAOYSA-N 0 0 398.416 0.695 10 0 GCAERN CCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000407981838 1187957795 /nfs/dbraw/zinc/95/77/95/1187957795.db2.gz DRGLESUDXGRPNJ-GASCZTMLSA-N 0 0 390.550 0.263 10 0 GCAERN C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000407983152 1187958312 /nfs/dbraw/zinc/95/83/12/1187958312.db2.gz 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Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC(n3ccnn3)C2)C1 ZINC000329410133 1194611660 /nfs/dbraw/zinc/61/16/60/1194611660.db2.gz AJKVYVOUDCQMFB-CYBMUJFWSA-N 0 0 394.457 0.367 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC(n3ccnn3)C2)C1 ZINC000329410134 1194611771 /nfs/dbraw/zinc/61/17/71/1194611771.db2.gz AJKVYVOUDCQMFB-ZDUSSCGKSA-N 0 0 394.457 0.367 10 0 GCAERN CO[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000467307775 1194636930 /nfs/dbraw/zinc/63/69/30/1194636930.db2.gz HQYIBZFNROZLRY-NWDGAFQWSA-N 0 0 394.453 0.754 10 0 GCAERN COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)OC)cc1 ZINC000467312258 1194753564 /nfs/dbraw/zinc/75/35/64/1194753564.db2.gz BXJQCUJHONKFEW-STQMWFEESA-N 0 0 386.470 0.975 10 0 GCAERN CCOC(=O)COc1ccc(NC(=O)N2CCN(CC(=O)OC)CC2)cc1 ZINC000504682892 1194803669 /nfs/dbraw/zinc/80/36/69/1194803669.db2.gz ACZVMQOJQBTWLK-UHFFFAOYSA-N 0 0 379.413 0.951 10 0 GCAERN CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nc(C)no3)CC2)cc1 ZINC000504770097 1194806770 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1194872143 /nfs/dbraw/zinc/87/21/43/1194872143.db2.gz DBJIZQCXXTVHPB-IINYFYTJSA-N 0 0 395.481 0.979 10 0 GCAERN CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)C1=O ZINC000434819583 1194872511 /nfs/dbraw/zinc/87/25/11/1194872511.db2.gz YSFPHBKFHQYKMQ-ONGXEEELSA-N 0 0 378.454 0.859 10 0 GCAERN O=C(Nc1nc2c(s1)CCCC2)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000434924539 1194877320 /nfs/dbraw/zinc/87/73/20/1194877320.db2.gz JETXOVJKDFKVPM-ZDUSSCGKSA-N 0 0 392.481 0.857 10 0 GCAERN CC1(c2cc(NC(=O)C(=O)N3CCC(N4CCNC4=O)CC3)no2)CCCC1 ZINC000434930487 1194878449 /nfs/dbraw/zinc/87/84/49/1194878449.db2.gz IEZPVIDGMFZNGG-UHFFFAOYSA-N 0 0 389.456 1.461 10 0 GCAERN COC(=O)C1(O)CCN(C(=O)C(=O)Nc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC000434958175 1194879848 /nfs/dbraw/zinc/87/98/48/1194879848.db2.gz CRZFUXWCIXDWAW-SNVBAGLBSA-N 0 0 381.454 0.733 10 0 GCAERN CNC(=O)COc1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c(C)c1 ZINC000434956307 1194879856 /nfs/dbraw/zinc/87/98/56/1194879856.db2.gz WXTMFZKHUSKVFM-OAHLLOKOSA-N 0 0 378.429 0.225 10 0 GCAERN CC1(c2cc(NC(=O)C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)no2)CCCC1 ZINC000434990727 1194882137 /nfs/dbraw/zinc/88/21/37/1194882137.db2.gz KCZUZGJNNSTJHB-LLVKDONJSA-N 0 0 384.458 0.724 10 0 GCAERN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000435103270 1194889841 /nfs/dbraw/zinc/88/98/41/1194889841.db2.gz LTWONNUTSTWVSW-XWIASGKRSA-N 0 0 381.454 0.731 10 0 GCAERN COc1cccc(CCNC(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)n1 ZINC000435121262 1194891853 /nfs/dbraw/zinc/89/18/53/1194891853.db2.gz WHKRKSSTYONTEQ-OAHLLOKOSA-N 0 0 385.472 0.921 10 0 GCAERN CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1C[C@@H]3CCCCN3C[C@H]1C)CC2 ZINC000514683498 1194892754 /nfs/dbraw/zinc/89/27/54/1194892754.db2.gz BYAHVVHWFKSUCA-OAGGEKHMSA-N 0 0 388.516 0.918 10 0 GCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CC(=O)N(CC2CC2)C1 ZINC000514707268 1194896219 /nfs/dbraw/zinc/89/62/19/1194896219.db2.gz YRIBVPUQTQXACW-UHFFFAOYSA-N 0 0 377.489 0.152 10 0 GCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000514755552 1194903834 /nfs/dbraw/zinc/90/38/34/1194903834.db2.gz GKQKEDQBIMDBNO-SSHHRWTQSA-N 0 0 391.472 0.587 10 0 GCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000514755550 1194903878 /nfs/dbraw/zinc/90/38/78/1194903878.db2.gz GKQKEDQBIMDBNO-LJPSSGMGSA-N 0 0 391.472 0.587 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000435254247 1194907174 /nfs/dbraw/zinc/90/71/74/1194907174.db2.gz QGKFUXHHSZFKNM-AWEZNQCLSA-N 0 0 376.457 0.787 10 0 GCAERN Cc1nc2cncc(N3CCN(C(=O)NCC[N@H+]4CC=C(C)CC4)CC3)n2n1 ZINC000435256907 1194910659 /nfs/dbraw/zinc/91/06/59/1194910659.db2.gz RFGGQEPEYGRUDU-UHFFFAOYSA-N 0 0 384.488 0.916 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000435308347 1194915528 /nfs/dbraw/zinc/91/55/28/1194915528.db2.gz UQSIABOZAFLMDC-VHSXEESVSA-N 0 0 399.831 0.860 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000435308988 1194915951 /nfs/dbraw/zinc/91/59/51/1194915951.db2.gz XLKNAMMEBKEGHK-ZJUUUORDSA-N 0 0 398.485 0.952 10 0 GCAERN CCOCCOC[C@H](O)CNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000435301107 1194917541 /nfs/dbraw/zinc/91/75/41/1194917541.db2.gz IEHZIYDQWRAELM-NWDGAFQWSA-N 0 0 385.486 0.737 10 0 GCAERN Cc1ccc(S(=O)(=O)CCC(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)cc1 ZINC000435704776 1194958346 /nfs/dbraw/zinc/95/83/46/1194958346.db2.gz IHGYTELGDREEIB-OAHLLOKOSA-N 0 0 398.481 0.403 10 0 GCAERN CNC(=O)[C@]1(C)CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)C1 ZINC000435975912 1194976597 /nfs/dbraw/zinc/97/65/97/1194976597.db2.gz UFNJPKKSYYSDTL-FOIQADDNSA-N 0 0 394.516 0.692 10 0 GCAERN O=C(NCc1cccc(N2CCOCC2)n1)C(=O)Nc1ccc2nccn2c1 ZINC000515539802 1194982412 /nfs/dbraw/zinc/98/24/12/1194982412.db2.gz WQBBPDDPACQCFG-UHFFFAOYSA-N 0 0 380.408 0.821 10 0 GCAERN COCc1noc(CN2CCN(C(=O)NCCc3cccc(OC)n3)CC2)n1 ZINC000436227928 1194991667 /nfs/dbraw/zinc/99/16/67/1194991667.db2.gz SUXDBDILMLMSNZ-UHFFFAOYSA-N 0 0 390.444 0.690 10 0 GCAERN CC(=O)N1CC[C@H](NC(=O)NC[C@]2(OCCO)CCOC2)c2ccccc21 ZINC000664534737 1194992293 /nfs/dbraw/zinc/99/22/93/1194992293.db2.gz JQDVIKNSDGIBAE-QFBILLFUSA-N 0 0 377.441 0.952 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000436299391 1194995301 /nfs/dbraw/zinc/99/53/01/1194995301.db2.gz FVKQBPWSQVVMGA-NQIIRXRSSA-N 0 0 385.464 0.617 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000436310984 1194995818 /nfs/dbraw/zinc/99/58/18/1194995818.db2.gz WHNOPFBPPOERJA-DNVCBOLYSA-N 0 0 391.493 0.851 10 0 GCAERN COc1ccc(C(=O)NCC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1OC ZINC000286255509 1194998848 /nfs/dbraw/zinc/99/88/48/1194998848.db2.gz LEOJNTQTBOODFZ-OAGGEKHMSA-N 0 0 392.452 0.822 10 0 GCAERN O=C(CN1CCOCC1=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000436381970 1195000147 /nfs/dbraw/zinc/00/01/47/1195000147.db2.gz JHNGVNPJJMLYAV-UHFFFAOYSA-N 0 0 395.359 0.325 10 0 GCAERN CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCC(C(=O)N(C)C)CC3)ccc21 ZINC000516040851 1195017937 /nfs/dbraw/zinc/01/79/37/1195017937.db2.gz NUUXXGAGOINGNN-UHFFFAOYSA-N 0 0 386.452 0.861 10 0 GCAERN C[C@@H](NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1)C1=CC[N@H+](C)CC1 ZINC000516328670 1195043025 /nfs/dbraw/zinc/04/30/25/1195043025.db2.gz BRQYKMFIUGIAFL-OAHLLOKOSA-N 0 0 387.484 0.301 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@H](C)C1 ZINC000516441247 1195052312 /nfs/dbraw/zinc/05/23/12/1195052312.db2.gz UFOLFZJBRDZCQB-TZMCWYRMSA-N 0 0 394.422 0.739 10 0 GCAERN CNC(=O)Cn1cnc(NC(=O)C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)n1 ZINC000437055179 1195062761 /nfs/dbraw/zinc/06/27/61/1195062761.db2.gz GHBNMGBHMXWYPV-BJHJDKERSA-N 0 0 390.831 0.678 10 0 GCAERN CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)COc2cnn(C)c2)n1 ZINC000505967621 1195067787 /nfs/dbraw/zinc/06/77/87/1195067787.db2.gz IDCDHWMTUKNHII-STQMWFEESA-N 0 0 377.424 0.388 10 0 GCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000516601583 1195072247 /nfs/dbraw/zinc/07/22/47/1195072247.db2.gz IBTWWCKGBBEYOZ-BFUOFWGJSA-N 0 0 391.472 0.588 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)C1 ZINC000516615072 1195076941 /nfs/dbraw/zinc/07/69/41/1195076941.db2.gz RQKMMOIXPRXBKR-CABCVRRESA-N 0 0 380.493 0.578 10 0 GCAERN CC(=O)c1ccc(NC(=O)C(=O)N(C)CC(=O)N2CCOCC2)cc1Cl ZINC000437165877 1195079097 /nfs/dbraw/zinc/07/90/97/1195079097.db2.gz HSEXOGPBQNNODF-UHFFFAOYSA-N 0 0 381.816 0.798 10 0 GCAERN COC[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(F)cc1 ZINC000437393086 1195105331 /nfs/dbraw/zinc/10/53/31/1195105331.db2.gz ZCPBGCMNJLRTCH-ZDUSSCGKSA-N 0 0 389.387 0.077 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000516847135 1195105378 /nfs/dbraw/zinc/10/53/78/1195105378.db2.gz YOXQROZFVPFSSE-OAQYLSRUSA-N 0 0 398.463 0.382 10 0 GCAERN COC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(F)cc1 ZINC000437396922 1195105821 /nfs/dbraw/zinc/10/58/21/1195105821.db2.gz YHKNEUUJUGIGFF-SJLPKXTDSA-N 0 0 393.459 0.810 10 0 GCAERN CC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)ccc1C ZINC000516978721 1195119618 /nfs/dbraw/zinc/11/96/18/1195119618.db2.gz GQDLPYQTZLRKPF-CJNGLKHVSA-N 0 0 395.481 0.970 10 0 GCAERN Cc1ccc(NC(=O)C(=O)N[C@@H](CO)CC2CCCC2)cc1S(N)(=O)=O ZINC000517042918 1195128716 /nfs/dbraw/zinc/12/87/16/1195128716.db2.gz CCROCJHOYGJOSL-CQSZACIVSA-N 0 0 383.470 0.638 10 0 GCAERN CCCCN1C(=O)N=NC1S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000517189990 1195152081 /nfs/dbraw/zinc/15/20/81/1195152081.db2.gz UGRYYDDVVZXNLH-UHFFFAOYSA-N 0 0 382.398 0.925 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)c2)n1 ZINC000506143303 1195166462 /nfs/dbraw/zinc/16/64/62/1195166462.db2.gz MFKSTIZASSZPTL-OAHLLOKOSA-N 0 0 392.485 0.391 10 0 GCAERN COC(=O)c1coc(CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 ZINC000438002604 1195181227 /nfs/dbraw/zinc/18/12/27/1195181227.db2.gz MBCOUIBGVVMXQY-UHFFFAOYSA-N 0 0 381.410 1.094 10 0 GCAERN Cc1ccnc(C2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)n1 ZINC000366682430 1195181633 /nfs/dbraw/zinc/18/16/33/1195181633.db2.gz SMONLFCBAQKUIM-UHFFFAOYSA-N 0 0 394.435 0.750 10 0 GCAERN Cc1cc(O)cc(=O)n1CCC(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000438023215 1195182144 /nfs/dbraw/zinc/18/21/44/1195182144.db2.gz JNUYDLAXAMXCKJ-UHFFFAOYSA-N 0 0 386.456 0.457 10 0 GCAERN Cn1cc(S(=O)(=O)NCC(=O)NCC[C@H]2COc3ccccc3O2)cn1 ZINC000517648924 1195204227 /nfs/dbraw/zinc/20/42/27/1195204227.db2.gz QZJGTYXQYZLMNZ-LBPRGKRZSA-N 0 0 380.426 0.045 10 0 GCAERN COC(=O)Cn1ccc(NC(=O)N2CCC(C(=O)N3CCCCC3)CC2)n1 ZINC000438341480 1195208817 /nfs/dbraw/zinc/20/88/17/1195208817.db2.gz OJZDMNQRJCDGAX-UHFFFAOYSA-N 0 0 377.445 1.313 10 0 GCAERN Cn1cc(NC(=O)C(=O)N2CCO[C@]3(CCCOC3)C2)c(C(F)(F)F)n1 ZINC000517770535 1195214739 /nfs/dbraw/zinc/21/47/39/1195214739.db2.gz VUJLTPOSSRJBEE-CQSZACIVSA-N 0 0 376.335 0.785 10 0 GCAERN Cc1c(CN(C)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cnn1C ZINC000517846856 1195223230 /nfs/dbraw/zinc/22/32/30/1195223230.db2.gz BUODCVGBNTWVAS-UHFFFAOYSA-N 0 0 376.505 0.814 10 0 GCAERN C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@H](C)N1CCOCC1 ZINC000517984431 1195236139 /nfs/dbraw/zinc/23/61/39/1195236139.db2.gz OHZLMNZHJCDIMZ-CVEARBPZSA-N 0 0 390.484 0.687 10 0 GCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 ZINC000438720677 1195242407 /nfs/dbraw/zinc/24/24/07/1195242407.db2.gz HTIQYYSNIWXFFS-KRWDZBQOSA-N 0 0 382.420 0.821 10 0 GCAERN COC(=O)C[C@H](NC(=O)C(=O)Nc1ncn(C(C)(C)C)n1)c1ccc(F)cc1 ZINC000438785536 1195248877 /nfs/dbraw/zinc/24/88/77/1195248877.db2.gz WBYCRAXCFRJXPV-ZDUSSCGKSA-N 0 0 391.403 1.531 10 0 GCAERN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCO[C@H](COc2ccccc2)C1 ZINC000518156270 1195255985 /nfs/dbraw/zinc/25/59/85/1195255985.db2.gz YVDAOBQNKGAPEF-RYRKJORJSA-N 0 0 396.509 0.800 10 0 GCAERN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCc2n[nH]nc2C1 ZINC000469424817 1195271786 /nfs/dbraw/zinc/27/17/86/1195271786.db2.gz SOUIPWGQNOZXOB-UHFFFAOYSA-N 0 0 375.454 0.790 10 0 GCAERN O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000438989546 1195275379 /nfs/dbraw/zinc/27/53/79/1195275379.db2.gz FXJWBRIBNPBWMZ-UHFFFAOYSA-N 0 0 399.451 1.118 10 0 GCAERN CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000518300057 1195275661 /nfs/dbraw/zinc/27/56/61/1195275661.db2.gz JOOSMPYEIHPYDW-AWEZNQCLSA-N 0 0 376.438 0.800 10 0 GCAERN COc1cc(C(=O)NCCNc2cc[nH+]cc2)cc([N-]S(C)(=O)=O)c1OC ZINC000439039276 1195279344 /nfs/dbraw/zinc/27/93/44/1195279344.db2.gz BSHYQKUUVKWGKN-UHFFFAOYSA-N 0 0 394.453 0.734 10 0 GCAERN OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2C[C@H]3CCCC[C@@H]3C2)[C@H](O)[C@@H]1O ZINC000439154969 1195292343 /nfs/dbraw/zinc/29/23/43/1195292343.db2.gz AOIVMEOKUHXXAX-ADLSKWGTSA-N 0 0 375.429 0.064 10 0 GCAERN CNS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)OC)CC1 ZINC000518503713 1195296949 /nfs/dbraw/zinc/29/69/49/1195296949.db2.gz BAUQTAWBAAOKBO-CABCVRRESA-N 0 0 389.518 0.791 10 0 GCAERN CNS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)OC)CC1 ZINC000518503714 1195296956 /nfs/dbraw/zinc/29/69/56/1195296956.db2.gz BAUQTAWBAAOKBO-GJZGRUSLSA-N 0 0 389.518 0.791 10 0 GCAERN C[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)N1CCCCC1=O ZINC000439212774 1195297894 /nfs/dbraw/zinc/29/78/94/1195297894.db2.gz PYSVQSDXCJGTEA-JTQLQIEISA-N 0 0 380.426 0.720 10 0 GCAERN C[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)N1CCCCC1=O ZINC000439212783 1195297911 /nfs/dbraw/zinc/29/79/11/1195297911.db2.gz PYSVQSDXCJGTEA-SNVBAGLBSA-N 0 0 380.426 0.720 10 0 GCAERN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC1(OCCO)CCOCC1 ZINC000506564892 1195317239 /nfs/dbraw/zinc/31/72/39/1195317239.db2.gz XLWWENVVRUGFIG-UHFFFAOYSA-N 0 0 390.440 0.839 10 0 GCAERN COc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C)n(C)n2)c2nccn2C)cc1 ZINC000439490367 1195325528 /nfs/dbraw/zinc/32/55/28/1195325528.db2.gz HFLNOSLLGJNSKV-MRXNPFEDSA-N 0 0 382.424 1.315 10 0 GCAERN CCOC[C@@H](O)CN1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506595289 1195325979 /nfs/dbraw/zinc/32/59/79/1195325979.db2.gz QERNPPHKOHIZEZ-IRXDYDNUSA-N 0 0 379.505 0.239 10 0 GCAERN C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000439623130 1195338454 /nfs/dbraw/zinc/33/84/54/1195338454.db2.gz IHBXJFLFIVFLFV-UHFFFAOYSA-N 0 0 379.457 0.349 10 0 GCAERN CCN(CCCNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1)S(C)(=O)=O ZINC000439743971 1195347091 /nfs/dbraw/zinc/34/70/91/1195347091.db2.gz JWGIHPFGIHNZLO-UHFFFAOYSA-N 0 0 396.469 0.150 10 0 GCAERN O=C(Nc1ccc2nccn2c1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000519013166 1195359153 /nfs/dbraw/zinc/35/91/53/1195359153.db2.gz PYOVUEKVIGFDLM-UHFFFAOYSA-N 0 0 385.424 0.370 10 0 GCAERN O=C(NCc1ccc2c(c1)C(=O)NCC2)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439854458 1195359794 /nfs/dbraw/zinc/35/97/94/1195359794.db2.gz GFLLKUFPHVLEFN-UHFFFAOYSA-N 0 0 392.415 0.964 10 0 GCAERN CCn1ncc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1C(F)(F)F ZINC000439859048 1195360662 /nfs/dbraw/zinc/36/06/62/1195360662.db2.gz OMMRPJMRCVIQCK-SNVBAGLBSA-N 0 0 375.351 0.403 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000519130144 1195372859 /nfs/dbraw/zinc/37/28/59/1195372859.db2.gz FYIBPEQSCKIQLM-INIZCTEOSA-N 0 0 395.481 0.448 10 0 GCAERN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C ZINC000440030876 1195376040 /nfs/dbraw/zinc/37/60/40/1195376040.db2.gz BVJRPYIHTXFAMD-JKIFEVAISA-N 0 0 389.452 0.772 10 0 GCAERN COc1cccc(-c2cc(NC(=O)C(=O)N3CCN(C)C(=O)[C@H]3C)n(C)n2)c1 ZINC000440282819 1195404482 /nfs/dbraw/zinc/40/44/82/1195404482.db2.gz NBPUBSVHFCLYJC-GFCCVEGCSA-N 0 0 385.424 0.723 10 0 GCAERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000440309088 1195404881 /nfs/dbraw/zinc/40/48/81/1195404881.db2.gz VDVRFRKWVIAMKX-CYBMUJFWSA-N 0 0 399.451 0.895 10 0 GCAERN C[C@H](NC(=O)CNC(=O)CN1CCN(CCO)[C@H](C)C1)c1ccc(F)cc1 ZINC000187705014 1195420769 /nfs/dbraw/zinc/42/07/69/1195420769.db2.gz RGTFVFQLIDNISY-CABCVRRESA-N 0 0 380.464 0.118 10 0 GCAERN Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCN(CCO)[C@H](C)C2)c1 ZINC000187707285 1195421257 /nfs/dbraw/zinc/42/12/57/1195421257.db2.gz GOLVEBZMCZXSOZ-GFCCVEGCSA-N 0 0 377.424 0.047 10 0 GCAERN CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@H]1CCCCO1 ZINC000550050110 1195424921 /nfs/dbraw/zinc/42/49/21/1195424921.db2.gz TYUQHHYWVFGPKY-HZPDHXFCSA-N 0 0 392.504 0.506 10 0 GCAERN Cc1cc(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000473653555 1195430631 /nfs/dbraw/zinc/43/06/31/1195430631.db2.gz XAGGPQCFSWJELB-QGZVFWFLSA-N 0 0 376.457 0.936 10 0 GCAERN COCCS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1 ZINC000473685846 1195441295 /nfs/dbraw/zinc/44/12/95/1195441295.db2.gz KGCIFAIMZHEHJH-HNNXBMFYSA-N 0 0 399.469 0.212 10 0 GCAERN COCCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000473685847 1195441391 /nfs/dbraw/zinc/44/13/91/1195441391.db2.gz KGCIFAIMZHEHJH-OAHLLOKOSA-N 0 0 399.469 0.212 10 0 GCAERN CCCS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1 ZINC000473694425 1195444324 /nfs/dbraw/zinc/44/43/24/1195444324.db2.gz LLYGAFZLUHVBJJ-HNNXBMFYSA-N 0 0 398.485 0.943 10 0 GCAERN CCCNS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1 ZINC000473694486 1195444474 /nfs/dbraw/zinc/44/44/74/1195444474.db2.gz HGOWCVVZNHPHEU-HNNXBMFYSA-N 0 0 398.485 0.480 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c1C ZINC000473722992 1195450511 /nfs/dbraw/zinc/45/05/11/1195450511.db2.gz UCJYKXURNLQZIY-CYBMUJFWSA-N 0 0 384.458 0.008 10 0 GCAERN COC(=O)c1cc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c(OC)c(OC)c1 ZINC000473723590 1195450752 /nfs/dbraw/zinc/45/07/52/1195450752.db2.gz VLWANCZEIOGCAJ-LBPRGKRZSA-N 0 0 395.412 0.595 10 0 GCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)C1 ZINC000550170458 1195453443 /nfs/dbraw/zinc/45/34/43/1195453443.db2.gz SOFJSFHKSOVGLR-RCCFBDPRSA-N 0 0 375.469 0.860 10 0 GCAERN CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)NCc1nnc2ccccn21 ZINC000550184230 1195455800 /nfs/dbraw/zinc/45/58/00/1195455800.db2.gz ARLMVROCTGHDQA-INIZCTEOSA-N 0 0 397.435 0.382 10 0 GCAERN COc1ccc([C@H](NC(=O)C(=O)N2CC[C@H]([C@@H](C)O)C2)c2nccn2C)cc1 ZINC000550192983 1195456585 /nfs/dbraw/zinc/45/65/85/1195456585.db2.gz WYHTWRLCMHBRSX-KMFMINBZSA-N 0 0 386.452 0.864 10 0 GCAERN Cc1cc(CN(C)C(=O)C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)no1 ZINC000550194920 1195457706 /nfs/dbraw/zinc/45/77/06/1195457706.db2.gz XQRNXEKIENYJQM-CQSZACIVSA-N 0 0 387.440 0.878 10 0 GCAERN CCS(=O)(=O)c1cc(F)ccc1NC(=O)N[C@H]1CCCN(CCO)C1=O ZINC000473770158 1195458232 /nfs/dbraw/zinc/45/82/32/1195458232.db2.gz ISSZBDNIHHZNJJ-ZDUSSCGKSA-N 0 0 387.433 0.724 10 0 GCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C(=O)NCc3nnc4ccccn43)CCO2)n1 ZINC000550195327 1195458776 /nfs/dbraw/zinc/45/87/76/1195458776.db2.gz SDJCHCIIHSAIKX-HNNXBMFYSA-N 0 0 397.439 0.086 10 0 GCAERN Cc1nnc(CN(C)CC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)n1C ZINC000121504767 1195459883 /nfs/dbraw/zinc/45/98/83/1195459883.db2.gz BOIZJJBZOLPFSH-HLLBOEOZSA-N 0 0 378.521 0.656 10 0 GCAERN O=C(C[C@@H]1CCOC1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000329790082 1195460327 /nfs/dbraw/zinc/46/03/27/1195460327.db2.gz SUNQBWKIDQWLGB-AWEZNQCLSA-N 0 0 396.465 0.717 10 0 GCAERN CCOC1CC(CNC(=O)C(=O)N(C)Cc2cc(C)on2)(N2CCOCC2)C1 ZINC000550219674 1195463063 /nfs/dbraw/zinc/46/30/63/1195463063.db2.gz YHKXKESCXPSLMU-UHFFFAOYSA-N 0 0 394.472 0.328 10 0 GCAERN CCN1CCN(C(=O)C(=O)N[C@@H](c2nccn2C)c2ccc(OC)cc2)CC1=O ZINC000550239754 1195466682 /nfs/dbraw/zinc/46/66/82/1195466682.db2.gz HGZABLAWYJDKIO-QGZVFWFLSA-N 0 0 399.451 0.325 10 0 GCAERN CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)cc1)C(C)C ZINC000440486012 1195495682 /nfs/dbraw/zinc/49/56/82/1195495682.db2.gz XSXLIOGIVUHOOP-HNNXBMFYSA-N 0 0 388.424 0.303 10 0 GCAERN Cc1cc(C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)nc2c1c(=O)n(C)c(=O)n2C ZINC000473852506 1195501733 /nfs/dbraw/zinc/50/17/33/1195501733.db2.gz BRUCAPYGZBNVOZ-GFCCVEGCSA-N 0 0 384.396 0.768 10 0 GCAERN Cc1cc(CNC(=O)NCC(=O)NC2CCCCC2)ccc1S(N)(=O)=O ZINC000507258090 1195507004 /nfs/dbraw/zinc/50/70/04/1195507004.db2.gz BKVZTMZBPIFKTK-UHFFFAOYSA-N 0 0 382.486 0.891 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000487382635 1195533630 /nfs/dbraw/zinc/53/36/30/1195533630.db2.gz VWFAEZZFXHILMF-VXGBXAGGSA-N 0 0 399.469 0.404 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000440574347 1195565358 /nfs/dbraw/zinc/56/53/58/1195565358.db2.gz BFJMOFWVCXFGQX-GFCCVEGCSA-N 0 0 381.454 0.416 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)[C@H](C)C1 ZINC000440575056 1195565450 /nfs/dbraw/zinc/56/54/50/1195565450.db2.gz MSAFLYGEFNBVTB-SNVBAGLBSA-N 0 0 388.346 0.428 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000440587141 1195566809 /nfs/dbraw/zinc/56/68/09/1195566809.db2.gz YKHJAHITYQXQOQ-ZDUSSCGKSA-N 0 0 395.481 0.291 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000519803807 1195571941 /nfs/dbraw/zinc/57/19/41/1195571941.db2.gz XGLUJEFDZDMUTD-BDAKNGLRSA-N 0 0 382.442 0.143 10 0 GCAERN CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCSC[C@@H]3CO)ccc21 ZINC000440697308 1195577158 /nfs/dbraw/zinc/57/71/58/1195577158.db2.gz ZUVOMAYBLUAIQH-AWEZNQCLSA-N 0 0 377.466 0.861 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cc(F)c(F)cc3F)CC2)[nH]1 ZINC000440759026 1195579964 /nfs/dbraw/zinc/57/99/64/1195579964.db2.gz KKAUKASUHHZAKB-UHFFFAOYSA-N 0 0 382.346 0.813 10 0 GCAERN COC(=O)c1cccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)c1 ZINC000440750479 1195580181 /nfs/dbraw/zinc/58/01/81/1195580181.db2.gz DZRIRQSOQZRZHR-UHFFFAOYSA-N 0 0 386.412 0.183 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cccc4c3OCCC4)CC2)[nH]1 ZINC000440751656 1195580195 /nfs/dbraw/zinc/58/01/95/1195580195.db2.gz XJCZYMBBBYKGRL-UHFFFAOYSA-N 0 0 384.440 0.721 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cccc(-n4ccnc4)c3)CC2)[nH]1 ZINC000440745354 1195580248 /nfs/dbraw/zinc/58/02/48/1195580248.db2.gz GAHANEWZDTZACJ-UHFFFAOYSA-N 0 0 394.439 0.582 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cccc(OC(F)F)c3)CC2)[nH]1 ZINC000440759899 1195581781 /nfs/dbraw/zinc/58/17/81/1195581781.db2.gz UUFLARKSZQAYLH-UHFFFAOYSA-N 0 0 394.382 0.997 10 0 GCAERN CS(=O)(=O)c1ccc(F)c(NC(=O)Cn2nnn(-c3ccccc3)c2=O)c1 ZINC000440796579 1195582595 /nfs/dbraw/zinc/58/25/95/1195582595.db2.gz CFTBTQVXFFTFJZ-UHFFFAOYSA-N 0 0 391.384 0.610 10 0 GCAERN CCO[C@@H]1C[C@@](NC(=O)CCCN2C(=O)CN(C)C2=O)(C(=O)OC)C1(C)C ZINC000440862072 1195586128 /nfs/dbraw/zinc/58/61/28/1195586128.db2.gz UCILUXQVKSYVEH-KZULUSFZSA-N 0 0 383.445 0.524 10 0 GCAERN CCOCCO[C@H]1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000440880036 1195587001 /nfs/dbraw/zinc/58/70/01/1195587001.db2.gz XMLUUFBGMDGTKE-SFHVURJKSA-N 0 0 396.532 0.768 10 0 GCAERN Cn1nccc1[C@H]1CCCCN1C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000520206085 1195606256 /nfs/dbraw/zinc/60/62/56/1195606256.db2.gz WHXNKEKTTURVJQ-CQSZACIVSA-N 0 0 384.440 0.677 10 0 GCAERN CCc1nc(C)c(NC(=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)s1 ZINC000441195010 1195609441 /nfs/dbraw/zinc/60/94/41/1195609441.db2.gz CWPWYPMDEGVTRI-NSHDSACASA-N 0 0 398.485 0.773 10 0 GCAERN Cn1c(C(=O)N2CCC(C3CCOCC3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000520257278 1195611067 /nfs/dbraw/zinc/61/10/67/1195611067.db2.gz SBKXARDUBILBHB-UHFFFAOYSA-N 0 0 388.468 0.855 10 0 GCAERN CC(C)NS(=O)(=O)NCCNC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000520316211 1195620548 /nfs/dbraw/zinc/62/05/48/1195620548.db2.gz WQZWHSJAIIMQRS-UHFFFAOYSA-N 0 0 385.490 0.477 10 0 GCAERN O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)c1cccc2ncnn21 ZINC000441390251 1195630249 /nfs/dbraw/zinc/63/02/49/1195630249.db2.gz ZETBRICHNRSGSK-UHFFFAOYSA-N 0 0 381.364 0.716 10 0 GCAERN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)N[C@@H]2CCCN(C)C2=O)C1 ZINC000441403704 1195631898 /nfs/dbraw/zinc/63/18/98/1195631898.db2.gz LKSFZRKAXWVBKR-ZIAGYGMSSA-N 0 0 382.461 0.050 10 0 GCAERN Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000441410275 1195632361 /nfs/dbraw/zinc/63/23/61/1195632361.db2.gz LAIUBXLTMCORFW-AWEZNQCLSA-N 0 0 384.440 0.980 10 0 GCAERN Cc1cc(C[C@@H](C)NC(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)[nH]n1 ZINC000441417453 1195632874 /nfs/dbraw/zinc/63/28/74/1195632874.db2.gz FZENBNRPCFWVLH-SNVBAGLBSA-N 0 0 394.443 0.643 10 0 GCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000328903824 1195672584 /nfs/dbraw/zinc/67/25/84/1195672584.db2.gz IKSOQXAWIXEFPO-HNNXBMFYSA-N 0 0 382.530 0.455 10 0 GCAERN O=C(CN1CCCC[C@H]1C(=O)N1CCOCC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000328887200 1195674211 /nfs/dbraw/zinc/67/42/11/1195674211.db2.gz OLTUVCHYMYCKFT-SQNIBIBYSA-N 0 0 379.501 0.870 10 0 GCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000328907120 1195679032 /nfs/dbraw/zinc/67/90/32/1195679032.db2.gz LGXWDAABCHZUJB-MRXNPFEDSA-N 0 0 396.557 0.845 10 0 GCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000328909981 1195679537 /nfs/dbraw/zinc/67/95/37/1195679537.db2.gz NCVMCSKABTYVTK-HZPDHXFCSA-N 0 0 396.557 0.843 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000330419376 1195688091 /nfs/dbraw/zinc/68/80/91/1195688091.db2.gz FTLWQLZEZMQTDM-INIZCTEOSA-N 0 0 376.482 0.351 10 0 GCAERN CC(=O)N1CCN(CCNC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 ZINC000053030358 1195692537 /nfs/dbraw/zinc/69/25/37/1195692537.db2.gz GKXBKVBPSXBKOK-AWEZNQCLSA-N 0 0 394.422 0.598 10 0 GCAERN COc1cccc(CCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1 ZINC000441438515 1195720911 /nfs/dbraw/zinc/72/09/11/1195720911.db2.gz SXIMYANTSRJOBC-UHFFFAOYSA-N 0 0 389.456 0.109 10 0 GCAERN CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000458960261 1195738101 /nfs/dbraw/zinc/73/81/01/1195738101.db2.gz SAORKRZRJGFASL-GOEBONIOSA-N 0 0 385.486 0.804 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000507751974 1195738157 /nfs/dbraw/zinc/73/81/57/1195738157.db2.gz DFCUTHXWDUDBME-ZBFHGGJFSA-N 0 0 388.468 0.929 10 0 GCAERN CC[C@H](C)NC(=O)CN1CCN(C(=O)NCCc2cccc(OC)n2)CC1 ZINC000441457499 1195738255 /nfs/dbraw/zinc/73/82/55/1195738255.db2.gz KOVKIDAZBIBMQE-HNNXBMFYSA-N 0 0 377.489 0.875 10 0 GCAERN C[C@H]1CN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CCN1CCO ZINC000188820449 1195739189 /nfs/dbraw/zinc/73/91/89/1195739189.db2.gz SYKFNDYVUFUMHC-NSHDSACASA-N 0 0 384.362 0.820 10 0 GCAERN C[C@@](O)(CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)C(F)(F)F ZINC000536345699 1195742984 /nfs/dbraw/zinc/74/29/84/1195742984.db2.gz LPAZWVUJMJZXMY-OAHLLOKOSA-N 0 0 375.347 0.891 10 0 GCAERN CN(C)c1nccc([C@@H]2CN(C(=O)NCC3([S@](C)=O)CCC3)CCO2)n1 ZINC000280808118 1195744930 /nfs/dbraw/zinc/74/49/30/1195744930.db2.gz QYPFRTZJINSGCM-RXBISOJRSA-N 0 0 381.502 0.927 10 0 GCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000074675207 1195750636 /nfs/dbraw/zinc/75/06/36/1195750636.db2.gz BKGRFYRKECIQCT-AWEZNQCLSA-N 0 0 378.521 0.820 10 0 GCAERN Cc1ccccc1-c1cc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)n(C)n1 ZINC000190034136 1195755902 /nfs/dbraw/zinc/75/59/02/1195755902.db2.gz IXXSFYVXPUZGTR-OAHLLOKOSA-N 0 0 385.468 0.859 10 0 GCAERN CCC[C@@H](C)NS(=O)(=O)c1ccc(N[C@@H]2CCCN(CCO)C2=O)nc1 ZINC000509615069 1195771353 /nfs/dbraw/zinc/77/13/53/1195771353.db2.gz CSZADSOCUUYVOI-UKRRQHHQSA-N 0 0 384.502 0.944 10 0 GCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000181271439 1195774254 /nfs/dbraw/zinc/77/42/54/1195774254.db2.gz LIRBTIAQBFYGHL-NSHDSACASA-N 0 0 381.502 0.987 10 0 GCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)N3CC[C@@]4(C3)NC(=O)N(C)C4=O)sc2C1 ZINC000507772837 1195779100 /nfs/dbraw/zinc/77/91/00/1195779100.db2.gz HYKZAASEHWYHRK-XLFHBGCDSA-N 0 0 391.453 0.359 10 0 GCAERN Cc1ccccc1C[C@H](CO)NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000466965908 1195780307 /nfs/dbraw/zinc/78/03/07/1195780307.db2.gz WVEQPJCAJSZCBC-SJLPKXTDSA-N 0 0 375.469 0.978 10 0 GCAERN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000520559390 1195786526 /nfs/dbraw/zinc/78/65/26/1195786526.db2.gz JWSROFDHKOSVGG-JFIYKMOQSA-N 0 0 375.469 0.879 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)no1 ZINC000441627213 1195800612 /nfs/dbraw/zinc/80/06/12/1195800612.db2.gz SWJBKKUXOAZBSV-UHFFFAOYSA-N 0 0 391.432 0.744 10 0 GCAERN CCC(=O)N[C@@H]1CCCN(C(=O)Nc2cnn(CC(=O)NCCOC)c2)C1 ZINC000473999683 1195803975 /nfs/dbraw/zinc/80/39/75/1195803975.db2.gz GFXYAAPLIKWRJN-CYBMUJFWSA-N 0 0 380.449 0.168 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000441643063 1195807018 /nfs/dbraw/zinc/80/70/18/1195807018.db2.gz INJZKKJAQJMZFZ-UHFFFAOYSA-N 0 0 377.397 0.450 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cc(C(C)(C)C)on2)CC1 ZINC000441657574 1195810999 /nfs/dbraw/zinc/81/09/99/1195810999.db2.gz SIFSAYCEQJHZDX-UHFFFAOYSA-N 0 0 380.445 1.006 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCc2cccc(CS(C)(=O)=O)c2)C1 ZINC000474002261 1195811686 /nfs/dbraw/zinc/81/16/86/1195811686.db2.gz PNVDAQDDUGDVFI-OAHLLOKOSA-N 0 0 382.486 0.834 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)CC1 ZINC000441667109 1195814603 /nfs/dbraw/zinc/81/46/03/1195814603.db2.gz VRDVAZGGTPWJCJ-UHFFFAOYSA-N 0 0 391.472 0.808 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000441683439 1195818766 /nfs/dbraw/zinc/81/87/66/1195818766.db2.gz COIULTQHYNCRLP-UHFFFAOYSA-N 0 0 390.440 0.679 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2C)CC1 ZINC000614649447 1195822820 /nfs/dbraw/zinc/82/28/20/1195822820.db2.gz BPKSMZZVOPQMEO-UHFFFAOYSA-N 0 0 383.470 0.352 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)no1 ZINC000441712551 1195823510 /nfs/dbraw/zinc/82/35/10/1195823510.db2.gz FONDMBXGKUMHLY-CQSZACIVSA-N 0 0 393.488 0.697 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000487397964 1195830376 /nfs/dbraw/zinc/83/03/76/1195830376.db2.gz VKDWWSQXYQNGTD-MNOVXSKESA-N 0 0 386.426 0.208 10 0 GCAERN NC(=O)N[C@H]1CCN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000536491467 1195839136 /nfs/dbraw/zinc/83/91/36/1195839136.db2.gz LOZFMTJYBAMSSU-KRWDZBQOSA-N 0 0 387.484 0.008 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(F)c1C ZINC000487401503 1195854697 /nfs/dbraw/zinc/85/46/97/1195854697.db2.gz PKFYOIPFIPKVMI-WDEREUQCSA-N 0 0 390.433 0.877 10 0 GCAERN Cc1cc(N2CCC[C@H](NC(=O)N(C)C[C@H](O)C(F)(F)F)C2=O)n(C)n1 ZINC000186343726 1195859910 /nfs/dbraw/zinc/85/99/10/1195859910.db2.gz DFKPQZCBVKPTKU-QWRGUYRKSA-N 0 0 377.367 0.789 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)NCCc2cccc(C(=O)OC)c2)cn1C ZINC000507890835 1195870517 /nfs/dbraw/zinc/87/05/17/1195870517.db2.gz RTOITKPLQPELTC-UHFFFAOYSA-N 0 0 379.438 0.692 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)OC ZINC000487403898 1195875810 /nfs/dbraw/zinc/87/58/10/1195875810.db2.gz SZIFJYZMTWNHJE-WUHRBBMRSA-N 0 0 392.474 0.094 10 0 GCAERN CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cc1C ZINC000441818013 1195879900 /nfs/dbraw/zinc/87/99/00/1195879900.db2.gz GVRWXDJMRNYAIP-TZMCWYRMSA-N 0 0 387.440 1.469 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)NCCNC(=O)CC2CCCCC2)cn1C ZINC000508017425 1195888297 /nfs/dbraw/zinc/88/82/97/1195888297.db2.gz QWFOMRVLUMOEQL-UHFFFAOYSA-N 0 0 384.502 0.750 10 0 GCAERN CCOCCNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000508057070 1195895381 /nfs/dbraw/zinc/89/53/81/1195895381.db2.gz YWCRGGZBWIIYGK-INIZCTEOSA-N 0 0 392.504 0.588 10 0 GCAERN CC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)ccc1F ZINC000508220984 1195909264 /nfs/dbraw/zinc/90/92/64/1195909264.db2.gz VSAOYTILHPLQTK-CYBMUJFWSA-N 0 0 399.444 0.897 10 0 GCAERN CC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000508221165 1195909483 /nfs/dbraw/zinc/90/94/83/1195909483.db2.gz WDRXKAVLXZIPAJ-HNNXBMFYSA-N 0 0 381.454 0.758 10 0 GCAERN CC(C)c1cc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)no1 ZINC000441875898 1195927370 /nfs/dbraw/zinc/92/73/70/1195927370.db2.gz UNIUDFVMWVIJPC-UHFFFAOYSA-N 0 0 391.472 0.797 10 0 GCAERN CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCC[C@@H]2CN2CCOCC2)c1 ZINC000441891343 1195929286 /nfs/dbraw/zinc/92/92/86/1195929286.db2.gz APCKIJBCOIJNNR-CQSZACIVSA-N 0 0 399.488 0.964 10 0 GCAERN CCN1C(=O)CCc2cc(NC(=O)C(=O)N(CCO)C3CCOCC3)ccc21 ZINC000441913139 1195931312 /nfs/dbraw/zinc/93/13/12/1195931312.db2.gz WMOQTFOPSUMHTN-UHFFFAOYSA-N 0 0 389.452 0.924 10 0 GCAERN COC[C@@](C)(CC(=O)OC)NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000441914630 1195931434 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0 GCAERN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000442054896 1195947278 /nfs/dbraw/zinc/94/72/78/1195947278.db2.gz SXFLTWXDOSQNPC-CQSZACIVSA-N 0 0 394.497 0.492 10 0 GCAERN O=C(Nc1cccnc1N1CCOCC1)C(=O)N1CCSC[C@H]1CCO ZINC000442077500 1195949777 /nfs/dbraw/zinc/94/97/77/1195949777.db2.gz KELNOXPRZZQITB-CYBMUJFWSA-N 0 0 380.470 0.183 10 0 GCAERN O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)N1CCSC[C@H]1CCO ZINC000442079444 1195950206 /nfs/dbraw/zinc/95/02/06/1195950206.db2.gz BBQQXXUVQDSIOL-OAHLLOKOSA-N 0 0 375.454 0.591 10 0 GCAERN Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCSC[C@H]2CCO)nn1 ZINC000442083813 1195950895 /nfs/dbraw/zinc/95/08/95/1195950895.db2.gz LYXPWWNCQGSUCC-GFCCVEGCSA-N 0 0 376.442 0.236 10 0 GCAERN COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000442064835 1195950970 /nfs/dbraw/zinc/95/09/70/1195950970.db2.gz YEIKOBPGPYUTFT-ZDUSSCGKSA-N 0 0 381.454 0.919 10 0 GCAERN COCCOc1cc(NC(=O)C(=O)N2CCSC[C@H]2CCO)ccc1OC ZINC000442065099 1195951106 /nfs/dbraw/zinc/95/11/06/1195951106.db2.gz YPIPQCJMOASSRQ-CQSZACIVSA-N 0 0 398.481 0.985 10 0 GCAERN CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCSC[C@@H]3CCO)cc21 ZINC000442072210 1195951683 /nfs/dbraw/zinc/95/16/83/1195951683.db2.gz FWBUNGNNUXWRLA-LBPRGKRZSA-N 0 0 379.438 0.307 10 0 GCAERN CCOC(=O)COc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cc1 ZINC000442102057 1195953135 /nfs/dbraw/zinc/95/31/35/1195953135.db2.gz VSXUFLPGYWATMS-CQSZACIVSA-N 0 0 396.465 0.893 10 0 GCAERN O=C(Nc1cc2c(cc1F)NC(=O)CC2)C(=O)N1CCSC[C@@H]1CCO ZINC000442104161 1195953669 /nfs/dbraw/zinc/95/36/69/1195953669.db2.gz AWSXYIKCOVVBGE-NSHDSACASA-N 0 0 381.429 0.975 10 0 GCAERN COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000442089641 1195954253 /nfs/dbraw/zinc/95/42/53/1195954253.db2.gz XZPUIDDPRHVLFI-LLVKDONJSA-N 0 0 382.438 0.747 10 0 GCAERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000442110931 1195954799 /nfs/dbraw/zinc/95/47/99/1195954799.db2.gz NPAKSGGRSNEJFW-AWEZNQCLSA-N 0 0 379.482 0.962 10 0 GCAERN O=C(Nc1cccc(N2CCNC2=O)c1)C(=O)N1CCSC[C@@H]1CCO ZINC000442109570 1195954890 /nfs/dbraw/zinc/95/48/90/1195954890.db2.gz PSFDEIILOHNLGC-AWEZNQCLSA-N 0 0 378.454 0.481 10 0 GCAERN CCO[C@@H]1COCC[C@@H]1NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000760054781 1195955559 /nfs/dbraw/zinc/95/55/59/1195955559.db2.gz ZDRVUQNIOZSJFX-SOUVJXGZSA-N 0 0 399.488 0.812 10 0 GCAERN COc1ccc(F)c(NC(=O)C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1 ZINC000442139017 1195957417 /nfs/dbraw/zinc/95/74/17/1195957417.db2.gz PQIXGZWSXHRWIS-VVVCHXIZSA-N 0 0 378.360 0.267 10 0 GCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C1 ZINC000442225642 1195963068 /nfs/dbraw/zinc/96/30/68/1195963068.db2.gz YZTFDVIQTULSLP-CYBMUJFWSA-N 0 0 388.424 0.498 10 0 GCAERN O=C(NCCOCC1CCC1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000521135125 1195965071 /nfs/dbraw/zinc/96/50/71/1195965071.db2.gz LTQDODTVVTUFME-UHFFFAOYSA-N 0 0 388.424 0.610 10 0 GCAERN COC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000442258946 1195967175 /nfs/dbraw/zinc/96/71/75/1195967175.db2.gz LEHNAAQLCCHVRF-GFCCVEGCSA-N 0 0 397.815 0.165 10 0 GCAERN CCCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442267633 1195968698 /nfs/dbraw/zinc/96/86/98/1195968698.db2.gz ICDOCYYLFKVCAF-OAHLLOKOSA-N 0 0 377.441 0.822 10 0 GCAERN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442270588 1195968995 /nfs/dbraw/zinc/96/89/95/1195968995.db2.gz HOSSSDSTQOCXGN-CQSZACIVSA-N 0 0 386.408 0.688 10 0 GCAERN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442269009 1195969071 /nfs/dbraw/zinc/96/90/71/1195969071.db2.gz JMALSKFCXDRRJS-LLVKDONJSA-N 0 0 395.366 0.539 10 0 GCAERN COCCOc1cc(C)ccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442272356 1195969355 /nfs/dbraw/zinc/96/93/55/1195969355.db2.gz PUQCPEQGUGNOSF-HNNXBMFYSA-N 0 0 393.440 0.058 10 0 GCAERN O=C(Nc1ccc(-c2csnn2)cc1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442273456 1195969500 /nfs/dbraw/zinc/96/95/00/1195969500.db2.gz LUQAWCVJWLPBRB-ZDUSSCGKSA-N 0 0 389.437 0.243 10 0 GCAERN CC(C)n1cc2cc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)ccc2n1 ZINC000442275307 1195969965 /nfs/dbraw/zinc/96/99/65/1195969965.db2.gz SXGYBNVMYZLGEH-INIZCTEOSA-N 0 0 387.440 0.655 10 0 GCAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442274565 1195969967 /nfs/dbraw/zinc/96/99/67/1195969967.db2.gz RIZLRBLDGAOSQI-INIZCTEOSA-N 0 0 399.451 0.527 10 0 GCAERN CSCCc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000442274427 1195969969 /nfs/dbraw/zinc/96/99/69/1195969969.db2.gz MZGLDEPSAFDJJS-OAHLLOKOSA-N 0 0 379.482 0.630 10 0 GCAERN Cc1nc(CC(C)C)c(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)s1 ZINC000442296405 1195970705 /nfs/dbraw/zinc/97/07/05/1195970705.db2.gz MWCQTSSEZYJKLQ-GFCCVEGCSA-N 0 0 382.486 0.688 10 0 GCAERN O=C(Nc1ccc(F)cc1C(F)(F)F)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442278893 1195970979 /nfs/dbraw/zinc/97/09/79/1195970979.db2.gz UODZONIINUTKBP-LBPRGKRZSA-N 0 0 391.321 0.883 10 0 GCAERN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442279228 1195971059 /nfs/dbraw/zinc/97/10/59/1195971059.db2.gz XIVFZMDGYAUUHO-ZDUSSCGKSA-N 0 0 377.445 0.116 10 0 GCAERN Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000442285247 1195972023 /nfs/dbraw/zinc/97/20/23/1195972023.db2.gz PVURCGOMRMRVNC-HNNXBMFYSA-N 0 0 399.451 0.527 10 0 GCAERN O=C(Nc1ccccc1OC(F)(F)F)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442296557 1195973282 /nfs/dbraw/zinc/97/32/82/1195973282.db2.gz SMLAFFADWYBRER-NSHDSACASA-N 0 0 389.330 0.623 10 0 GCAERN O=C(Nc1ccnn1CCc1ccccc1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442293497 1195973457 /nfs/dbraw/zinc/97/34/57/1195973457.db2.gz IJCAHXCJXJGQHD-MRXNPFEDSA-N 0 0 399.451 0.164 10 0 GCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)n(-c2ccccc2C)n1 ZINC000442298401 1195974211 /nfs/dbraw/zinc/97/42/11/1195974211.db2.gz PWOVZHPSJDEARE-OAHLLOKOSA-N 0 0 399.451 0.527 10 0 GCAERN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000521185176 1195975467 /nfs/dbraw/zinc/97/54/67/1195975467.db2.gz YTRIAKFRAFSSLI-UHFFFAOYSA-N 0 0 391.453 0.358 10 0 GCAERN COc1cccc(CCNC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)n1 ZINC000442337001 1195978732 /nfs/dbraw/zinc/97/87/32/1195978732.db2.gz SRFLEEOSRONSND-UHFFFAOYSA-N 0 0 381.396 0.672 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)C(=O)OC(C)C)c1 ZINC000442400368 1195982832 /nfs/dbraw/zinc/98/28/32/1195982832.db2.gz HXSPIFORMYDPBW-NSHDSACASA-N 0 0 385.442 0.237 10 0 GCAERN CCc1nc(C)c(NC(=O)C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)s1 ZINC000442492369 1195988905 /nfs/dbraw/zinc/98/89/05/1195988905.db2.gz ZLPBPPZSMGTVJB-UHFFFAOYSA-N 0 0 378.414 0.414 10 0 GCAERN COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cc(OC)ccc3F)C2)nn1 ZINC000442494512 1195989091 /nfs/dbraw/zinc/98/90/91/1195989091.db2.gz MXUDEMPQRPVTKF-UHFFFAOYSA-N 0 0 377.332 0.234 10 0 GCAERN O=C(NCCNC(=O)[C@@H]1CCCN1c1ncnc2ccccc21)c1cnccn1 ZINC000442483302 1195989696 /nfs/dbraw/zinc/98/96/96/1195989696.db2.gz NBGRZVNKBJMGPW-KRWDZBQOSA-N 0 0 391.435 0.935 10 0 GCAERN CCN1C(=O)CCc2cc(NC(=O)C(=O)N(C)CC3(O)CCOCC3)ccc21 ZINC000442500053 1195990738 /nfs/dbraw/zinc/99/07/38/1195990738.db2.gz KYIOVTHVWJUPQO-UHFFFAOYSA-N 0 0 389.452 0.924 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000442551762 1195993514 /nfs/dbraw/zinc/99/35/14/1195993514.db2.gz YVOGMUOGICHBAA-RRFJBIMHSA-N 0 0 395.481 0.853 10 0 GCAERN CN(CCCO)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000442585285 1195995150 /nfs/dbraw/zinc/99/51/50/1195995150.db2.gz YRPHUCYDYYMUNV-MRXNPFEDSA-N 0 0 381.448 0.867 10 0 GCAERN CN(CCCO)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000442585282 1195995167 /nfs/dbraw/zinc/99/51/67/1195995167.db2.gz YRPHUCYDYYMUNV-INIZCTEOSA-N 0 0 381.448 0.867 10 0 GCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2)C1 ZINC000521546199 1196002278 /nfs/dbraw/zinc/00/22/78/1196002278.db2.gz HXCYAXMDXWXQNZ-CQSZACIVSA-N 0 0 390.440 0.267 10 0 GCAERN CC(C)COCCC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000521574660 1196004452 /nfs/dbraw/zinc/00/44/52/1196004452.db2.gz HGTDAFMNWJPEHX-UHFFFAOYSA-N 0 0 382.549 0.746 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)c1 ZINC000521578838 1196004472 /nfs/dbraw/zinc/00/44/72/1196004472.db2.gz JLHNZWLOUSOBKJ-UHFFFAOYSA-N 0 0 377.470 0.286 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)N[C@@H]2C(=O)NCC[C@H]2C)c1OC ZINC000443091045 1196018888 /nfs/dbraw/zinc/01/88/88/1196018888.db2.gz GZVYCOHADPWZDE-RNCFNFMXSA-N 0 0 386.426 0.293 10 0 GCAERN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCCO)cc1 ZINC000443331093 1196038842 /nfs/dbraw/zinc/03/88/42/1196038842.db2.gz VJAVLANJSZOELO-UHFFFAOYSA-N 0 0 385.486 0.887 10 0 GCAERN CCNC(=O)COc1ccc(CNC(=O)C(=O)N2CCC23CCC3)cc1OC ZINC000550499130 1196057022 /nfs/dbraw/zinc/05/70/22/1196057022.db2.gz QSFKOVKWKRPBGF-UHFFFAOYSA-N 0 0 389.452 0.981 10 0 GCAERN CC(=O)N[C@@](C)(C(=O)N1CCC(=O)[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000280851691 1196064060 /nfs/dbraw/zinc/06/40/60/1196064060.db2.gz RLAZADDUBHPTJC-KPZWWZAWSA-N 0 0 380.466 0.879 10 0 GCAERN O=C(NCc1ccc(N2CCCCC2)nc1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000550510057 1196067226 /nfs/dbraw/zinc/06/72/26/1196067226.db2.gz JOGPMBKOCJNKQQ-OAQYLSRUSA-N 0 0 399.495 0.817 10 0 GCAERN CC(C)[C@@H](CNC(=O)c1cn2cccnc2n1)NC(=O)c1cn2cccnc2n1 ZINC000522261358 1196069733 /nfs/dbraw/zinc/06/97/33/1196069733.db2.gz JKHMVFGLSGLVOF-CYBMUJFWSA-N 0 0 392.423 0.956 10 0 GCAERN CCC(CC)NS(=O)(=O)c1ccc(N[C@@H]2CCCN(CCO)C2=O)nc1 ZINC000509622831 1196076743 /nfs/dbraw/zinc/07/67/43/1196076743.db2.gz WTTPTJQTKJXZFR-OAHLLOKOSA-N 0 0 384.502 0.944 10 0 GCAERN CS(=O)(=O)Nc1cccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c1 ZINC000029021436 1196082827 /nfs/dbraw/zinc/08/28/27/1196082827.db2.gz GJNSNBPDHIKGLU-UHFFFAOYSA-N 0 0 388.405 0.700 10 0 GCAERN CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)C1 ZINC000535718159 1196082842 /nfs/dbraw/zinc/08/28/42/1196082842.db2.gz BYBHMXQFXRSRLQ-AWEZNQCLSA-N 0 0 392.485 0.741 10 0 GCAERN O=C(NCc1cccc(Cn2ccnc2)c1)C(=O)N1CCSC[C@H]1CCO ZINC000550549428 1196083877 /nfs/dbraw/zinc/08/38/77/1196083877.db2.gz DETMJJOISLMULG-QGZVFWFLSA-N 0 0 388.493 0.874 10 0 GCAERN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000443688176 1196090346 /nfs/dbraw/zinc/09/03/46/1196090346.db2.gz IVAQRENCELWKMF-UHFFFAOYSA-N 0 0 385.428 0.255 10 0 GCAERN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000443685861 1196090750 /nfs/dbraw/zinc/09/07/50/1196090750.db2.gz ULZOHGGQQUQNDN-AWEZNQCLSA-N 0 0 387.440 0.343 10 0 GCAERN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000443685862 1196090828 /nfs/dbraw/zinc/09/08/28/1196090828.db2.gz ULZOHGGQQUQNDN-CQSZACIVSA-N 0 0 387.440 0.343 10 0 GCAERN CCc1ccc(CNC(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)s1 ZINC000051825137 1196091896 /nfs/dbraw/zinc/09/18/96/1196091896.db2.gz XVRORHQJWGPKPF-UHFFFAOYSA-N 0 0 394.541 0.403 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000550576556 1196092052 /nfs/dbraw/zinc/09/20/52/1196092052.db2.gz HWRUXESCGRPIEL-KKUMJFAQSA-N 0 0 382.505 0.070 10 0 GCAERN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000114407139 1196098502 /nfs/dbraw/zinc/09/85/02/1196098502.db2.gz RIGURZVWDRYWRV-BFUOFWGJSA-N 0 0 393.447 0.859 10 0 GCAERN Cc1nc(CN2CCN(CC(=O)NCc3cnn(-c4ccccc4)c3)CC2)no1 ZINC000114465373 1196100218 /nfs/dbraw/zinc/10/02/18/1196100218.db2.gz PNZMOFHMRFDMBV-UHFFFAOYSA-N 0 0 395.467 0.998 10 0 GCAERN CCOC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000474221879 1196101293 /nfs/dbraw/zinc/10/12/93/1196101293.db2.gz AMPPSPUBKYEAMX-MRXNPFEDSA-N 0 0 396.465 0.922 10 0 GCAERN COCc1noc(CN2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)CC2)n1 ZINC000474279559 1196105828 /nfs/dbraw/zinc/10/58/28/1196105828.db2.gz YWDFATODDSFCFL-AWEZNQCLSA-N 0 0 387.440 0.679 10 0 GCAERN CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC ZINC000474379605 1196113013 /nfs/dbraw/zinc/11/30/13/1196113013.db2.gz VXSDUOCGGVYZGT-SNVBAGLBSA-N 0 0 388.442 0.636 10 0 GCAERN C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)C1=O ZINC000116290134 1196131919 /nfs/dbraw/zinc/13/19/19/1196131919.db2.gz GAOVHOWDFHWNME-GFCCVEGCSA-N 0 0 396.403 0.654 10 0 GCAERN COC(=O)c1cn(CC(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)nn1 ZINC000474716510 1196145497 /nfs/dbraw/zinc/14/54/97/1196145497.db2.gz VBLPIVTWUMRPHV-ZDUSSCGKSA-N 0 0 375.410 0.605 10 0 GCAERN CS(=O)(=O)c1ccc(F)c(NC(=O)CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000469828027 1196148830 /nfs/dbraw/zinc/14/88/30/1196148830.db2.gz RVBCBMIVTUONCD-IETSOEAISA-N 0 0 383.445 0.754 10 0 GCAERN Cc1cccc([C@@H](CC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)NC(N)=O)c1 ZINC000474775355 1196149515 /nfs/dbraw/zinc/14/95/15/1196149515.db2.gz NUTCXPZXBFREFS-IAGOWNOFSA-N 0 0 388.468 0.991 10 0 GCAERN O=S(=O)(N1CCOCC1)N1CCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC000329006548 1196156055 /nfs/dbraw/zinc/15/60/55/1196156055.db2.gz NAYYRCWKTBRAAW-UHFFFAOYSA-N 0 0 399.904 0.682 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000474836773 1196163514 /nfs/dbraw/zinc/16/35/14/1196163514.db2.gz CUKLAYHYPVGHHA-FHSNZYRGSA-N 0 0 385.461 0.422 10 0 GCAERN CC(C)CN(C(=O)CN1CCC(N2CCCC2=O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000329115760 1196165939 /nfs/dbraw/zinc/16/59/39/1196165939.db2.gz SYDIHFUFNYBFBC-QGZVFWFLSA-N 0 0 399.557 0.745 10 0 GCAERN Cn1ccnc1CN1CCC(C(=O)N2CCN(Cc3nccn3C)CC2)CC1 ZINC000329142995 1196168381 /nfs/dbraw/zinc/16/83/81/1196168381.db2.gz LRQJMTDZUJFESG-UHFFFAOYSA-N 0 0 385.516 0.710 10 0 GCAERN Cn1cc([C@@H]2C[S@](=O)CCN2CC(=O)N2CCO[C@H]3CCCC[C@H]32)cn1 ZINC000329208075 1196176427 /nfs/dbraw/zinc/17/64/27/1196176427.db2.gz FLTJUULRZPBTGD-AABWBBMQSA-N 0 0 380.514 0.696 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C3CCN(Cc4nccn4C)CC3)CC2)[nH]1 ZINC000329212339 1196177061 /nfs/dbraw/zinc/17/70/61/1196177061.db2.gz HTVYKWRYCKRBCC-UHFFFAOYSA-N 0 0 386.504 0.403 10 0 GCAERN O=S(=O)(c1ccc(S(=O)(=O)N2CCN(C3CC3)CC2)cc1)N1CCCC1 ZINC000329220522 1196177848 /nfs/dbraw/zinc/17/78/48/1196177848.db2.gz TWUVOPUGFNVCSY-UHFFFAOYSA-N 0 0 399.538 0.940 10 0 GCAERN C[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000329285782 1196182216 /nfs/dbraw/zinc/18/22/16/1196182216.db2.gz OLXMGQBZKXENLD-HZPDHXFCSA-N 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ZINC000453792126 1197132772 /nfs/dbraw/zinc/13/27/72/1197132772.db2.gz CJHZRFYWZDZCPB-AWEZNQCLSA-N 0 0 389.408 0.023 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(C)n([C@H](C)CC)n2)CC12COC2 ZINC000453790740 1197132854 /nfs/dbraw/zinc/13/28/54/1197132854.db2.gz BFJAYVCGNGXLCS-TZMCWYRMSA-N 0 0 392.456 1.139 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC12COC2 ZINC000453795725 1197133192 /nfs/dbraw/zinc/13/31/92/1197133192.db2.gz HBPBHLRFXPGEMS-OAHLLOKOSA-N 0 0 399.407 0.244 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2OCCC3)CC12COC2 ZINC000453795744 1197133317 /nfs/dbraw/zinc/13/33/17/1197133317.db2.gz HDLUVWUPBOWWHJ-AWEZNQCLSA-N 0 0 388.420 0.988 10 0 GCAERN COc1cc(C(=O)N2CCSC[C@@H]2CCO)cc(OC)c1OCC(N)=O ZINC000532277157 1197133587 /nfs/dbraw/zinc/13/35/87/1197133587.db2.gz XIHOKMZEXXKKJE-LBPRGKRZSA-N 0 0 384.454 0.508 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)CC12COC2 ZINC000453799485 1197134201 /nfs/dbraw/zinc/13/42/01/1197134201.db2.gz 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377.470 0.727 10 0 GCAERN Cc1cc(N2CC[C@@H](N3CCN(c4ncnc5c4cnn5C)CC3)C2=O)n(C)n1 ZINC000173470932 1197177349 /nfs/dbraw/zinc/17/73/49/1197177349.db2.gz BQESMCHANRJUEJ-OAHLLOKOSA-N 0 0 395.471 0.333 10 0 GCAERN COCC(COC)NC(=O)C(=O)Nc1cc(-c2cccc(OC)c2)nn1C ZINC000453923063 1197180641 /nfs/dbraw/zinc/18/06/41/1197180641.db2.gz AAIXZLQJURJGMX-UHFFFAOYSA-N 0 0 376.413 0.812 10 0 GCAERN O=C(CN1CCN(c2ccccn2)CC1)N1CCCC[C@H]1CN1CCOCC1 ZINC000174711909 1197181606 /nfs/dbraw/zinc/18/16/06/1197181606.db2.gz IJTMIKQXMVFQMA-IBGZPJMESA-N 0 0 387.528 0.917 10 0 GCAERN O=C(NCc1ccc(Cn2ccccc2=O)cc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000177348559 1197191018 /nfs/dbraw/zinc/19/10/18/1197191018.db2.gz PZCGSFIJBRGSAL-KRWDZBQOSA-N 0 0 381.436 0.816 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)NCCc2nnc(-c3ccccc3)o2)cn1C ZINC000475746989 1197201387 /nfs/dbraw/zinc/20/13/87/1197201387.db2.gz BHSXJWCTUUWLAR-UHFFFAOYSA-N 0 0 389.437 0.956 10 0 GCAERN Cn1cc(S(=O)(=O)NCCN2CCC[C@H](c3nncn3C3CC3)C2)cn1 ZINC000180864684 1197202120 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ZINC000189697498 1197238013 /nfs/dbraw/zinc/23/80/13/1197238013.db2.gz CKKJCUWLPNDVHD-HNNXBMFYSA-N 0 0 395.529 0.445 10 0 GCAERN C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[NH+]4CCC3CC4)c2)CC1 ZINC000189791918 1197238471 /nfs/dbraw/zinc/23/84/71/1197238471.db2.gz LPJRCLKGYJWBEE-UHFFFAOYSA-N 0 0 385.512 0.679 10 0 GCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000189874362 1197239142 /nfs/dbraw/zinc/23/91/42/1197239142.db2.gz HUJCUSBPBIQEEK-UHFFFAOYSA-N 0 0 381.367 0.942 10 0 GCAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189991582 1197239567 /nfs/dbraw/zinc/23/95/67/1197239567.db2.gz STBYJYWVZZOOSE-HNNXBMFYSA-N 0 0 383.518 0.900 10 0 GCAERN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2nnc(C3CCC3)n2C)C1 ZINC000190378511 1197240888 /nfs/dbraw/zinc/24/08/88/1197240888.db2.gz RHRRVJCLJBELHW-OAHLLOKOSA-N 0 0 385.534 0.955 10 0 GCAERN COCCN1CCCN([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1=O ZINC000190764202 1197242007 /nfs/dbraw/zinc/24/20/07/1197242007.db2.gz RQXHMXBBGHJIHY-GOSISDBHSA-N 0 0 388.512 0.904 10 0 GCAERN COC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2cccc(OC)c2)nn1C ZINC000536504493 1197242337 /nfs/dbraw/zinc/24/23/37/1197242337.db2.gz TXHFPSQJFDGLHR-SFHVURJKSA-N 0 0 376.413 0.548 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1c(F)cc(OC)cc1F ZINC000618703610 1197243269 /nfs/dbraw/zinc/24/32/69/1197243269.db2.gz ILXFKDBICSNNFV-RKDXNWHRSA-N 0 0 394.396 0.708 10 0 GCAERN Cn1cc(N2CCC[C@@H](NC(=O)c3cc(N4CCNC(=O)C4)ccn3)C2)cn1 ZINC000191825245 1197244866 /nfs/dbraw/zinc/24/48/66/1197244866.db2.gz XTBZQYOAFVRMSD-CQSZACIVSA-N 0 0 383.456 0.150 10 0 GCAERN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000192213261 1197246319 /nfs/dbraw/zinc/24/63/19/1197246319.db2.gz VKDWHMQSEGAMGO-XJKSGUPXSA-N 0 0 385.399 0.819 10 0 GCAERN O=C(Nc1ccc2cc[nH]c2c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000333043404 1197247894 /nfs/dbraw/zinc/24/78/94/1197247894.db2.gz OYPIMARLLUOQST-UHFFFAOYSA-N 0 0 393.469 0.894 10 0 GCAERN Cn1c2nnc(CN3CCN(c4cccnn4)CC3)n2c2ccccc2c1=O ZINC000170650157 1197254304 /nfs/dbraw/zinc/25/43/04/1197254304.db2.gz MOTSQKYZESPMHG-UHFFFAOYSA-N 0 0 376.424 0.693 10 0 GCAERN Cn1c2nnc(CN3CCN(c4cccnn4)CC3)n2c2ccsc2c1=O ZINC000170649130 1197254763 /nfs/dbraw/zinc/25/47/63/1197254763.db2.gz RTUJNXNFBXAEIR-UHFFFAOYSA-N 0 0 382.453 0.755 10 0 GCAERN CC(=O)N1CCN(c2ccccc2CN2C(=O)N[C@H](c3ccn(C)n3)C2=O)CC1 ZINC000349321706 1197257374 /nfs/dbraw/zinc/25/73/74/1197257374.db2.gz ZIYJJFHUGLPDEZ-GOSISDBHSA-N 0 0 396.451 0.882 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000909672070 1197274630 /nfs/dbraw/zinc/27/46/30/1197274630.db2.gz NUBATCCNZFEKDQ-HNNXBMFYSA-N 0 0 384.816 0.626 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)NCCCN(C)c2ccccc2)C1 ZINC000909673175 1197284860 /nfs/dbraw/zinc/28/48/60/1197284860.db2.gz UTKXPIMAYZVYGO-KRWDZBQOSA-N 0 0 377.441 0.420 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCC(=O)NCCCN(C)c2ccccc2)C1 ZINC000909673176 1197285015 /nfs/dbraw/zinc/28/50/15/1197285015.db2.gz UTKXPIMAYZVYGO-QGZVFWFLSA-N 0 0 377.441 0.420 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)O[C@@H](C)C(=O)NCCOc2cccc(C)c2)C1 ZINC000909674169 1197286647 /nfs/dbraw/zinc/28/66/47/1197286647.db2.gz PHFPLTGZFMKOJY-WMLDXEAASA-N 0 0 378.425 0.669 10 0 GCAERN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)[C@@H]3CN(C(C)=O)CCO3)ccc21 ZINC000909674156 1197286666 /nfs/dbraw/zinc/28/66/66/1197286666.db2.gz PBJVPUISSWJMQK-XIKOKIGWSA-N 0 0 388.420 0.957 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000909674768 1197287170 /nfs/dbraw/zinc/28/71/70/1197287170.db2.gz SEKSILOZMNULKG-SFHVURJKSA-N 0 0 385.420 0.843 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)O[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000909674544 1197287240 /nfs/dbraw/zinc/28/72/40/1197287240.db2.gz RBWRXQGKXCEQEI-PVUWLOKVSA-N 0 0 376.409 0.805 10 0 GCAERN COC(=O)C(C)(C)[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)c1ccccc1 ZINC000610829568 1197291300 /nfs/dbraw/zinc/29/13/00/1197291300.db2.gz PUHWSQGFICEGIQ-CYBMUJFWSA-N 0 0 375.381 0.464 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1 ZINC000909675835 1197291344 /nfs/dbraw/zinc/29/13/44/1197291344.db2.gz QKVHAPFEGKUJCS-MEDUHNTESA-N 0 0 384.379 0.803 10 0 GCAERN CC[C@H](C)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000454011355 1197301554 /nfs/dbraw/zinc/30/15/54/1197301554.db2.gz HQMUMSFTQYFUOX-ZDUSSCGKSA-N 0 0 382.486 0.476 10 0 GCAERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000171008870 1197309532 /nfs/dbraw/zinc/30/95/32/1197309532.db2.gz ALVBFCYCIQLYHS-HIFRSBDPSA-N 0 0 397.435 0.422 10 0 GCAERN CN(C)c1ccc(N2C(=O)C[C@H](N3CCN(c4cccnn4)CC3)C2=O)cc1 ZINC000171118875 1197312242 /nfs/dbraw/zinc/31/22/42/1197312242.db2.gz OAVBTJIWGMCIAG-KRWDZBQOSA-N 0 0 380.452 0.997 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1cccnc1-n1ccnc1 ZINC000029022508 1197330969 /nfs/dbraw/zinc/33/09/69/1197330969.db2.gz BWSHDUAHBZBJLE-UHFFFAOYSA-N 0 0 376.376 0.587 10 0 GCAERN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000114721743 1197336783 /nfs/dbraw/zinc/33/67/83/1197336783.db2.gz FJZJMDVWENLGFJ-AEFFLSMTSA-N 0 0 380.533 0.546 10 0 GCAERN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000532601743 1197337752 /nfs/dbraw/zinc/33/77/52/1197337752.db2.gz FUXWIRRDECZDDY-XHDPSFHLSA-N 0 0 376.379 0.851 10 0 GCAERN Cn1cc(N2CC[C@@H](NC(=O)NC3CCN(c4ccccn4)CC3)C2=O)cn1 ZINC000117961044 1197338510 /nfs/dbraw/zinc/33/85/10/1197338510.db2.gz IAQPLLPZOMNLMS-MRXNPFEDSA-N 0 0 383.456 0.889 10 0 GCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 ZINC000332814931 1197344172 /nfs/dbraw/zinc/34/41/72/1197344172.db2.gz XFFYAUPPNIZWDE-ZWKOTPCHSA-N 0 0 398.463 0.445 10 0 GCAERN O=C(C[C@H]1CCOc2ccccc21)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000332870991 1197345601 /nfs/dbraw/zinc/34/56/01/1197345601.db2.gz QAGKUNDRLMFZAI-IAGOWNOFSA-N 0 0 387.480 0.992 10 0 GCAERN O=C(C[C@@H]1CCOc2ccccc21)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000332870989 1197345717 /nfs/dbraw/zinc/34/57/17/1197345717.db2.gz QAGKUNDRLMFZAI-DLBZAZTESA-N 0 0 387.480 0.992 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000332897686 1197345918 /nfs/dbraw/zinc/34/59/18/1197345918.db2.gz KBPIMKNVEYHFDN-ILXRZTDVSA-N 0 0 385.486 0.969 10 0 GCAERN O=C(N[C@H]1CN(c2ccc(F)cc2)C1=O)[C@@H]1COCCN1CC(F)(F)F ZINC000332916729 1197346935 /nfs/dbraw/zinc/34/69/35/1197346935.db2.gz YKLZNMWBDUUWBO-STQMWFEESA-N 0 0 375.322 0.920 10 0 GCAERN COCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CSCN1C(=O)C1CCCC1)CC2 ZINC000332926363 1197347251 /nfs/dbraw/zinc/34/72/51/1197347251.db2.gz KNQRBTZNLCATNT-UONOGXRCSA-N 0 0 393.513 0.947 10 0 GCAERN O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000332928733 1197347580 /nfs/dbraw/zinc/34/75/80/1197347580.db2.gz YKADLCLSPMECIB-SNUQEOBHSA-N 0 0 394.497 0.573 10 0 GCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000124197599 1197352367 /nfs/dbraw/zinc/35/23/67/1197352367.db2.gz NADBBXSEZPMFGL-MRXNPFEDSA-N 0 0 386.496 0.960 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000124151939 1197352385 /nfs/dbraw/zinc/35/23/85/1197352385.db2.gz OVDJSFMBGSILHG-SFHVURJKSA-N 0 0 376.482 0.654 10 0 GCAERN CNC(=O)COc1cccc(CC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000124598118 1197353354 /nfs/dbraw/zinc/35/33/54/1197353354.db2.gz KINKFPDCVGAGCU-INIZCTEOSA-N 0 0 385.468 0.873 10 0 GCAERN CCS(=O)(=O)N1CCC(C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000042497839 1197353757 /nfs/dbraw/zinc/35/37/57/1197353757.db2.gz CSUNSYQUEOGLOT-UHFFFAOYSA-N 0 0 377.470 0.945 10 0 GCAERN Cc1nnnn1-c1ccc(F)c(NC(=O)CN2c3ccccc3C[C@H]2C(N)=O)c1 ZINC000124801606 1197354254 /nfs/dbraw/zinc/35/42/54/1197354254.db2.gz GJBBYJNDMYQOIV-KRWDZBQOSA-N 0 0 395.398 0.965 10 0 GCAERN CCN(CC)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000459287761 1197360829 /nfs/dbraw/zinc/36/08/29/1197360829.db2.gz IMBODYIQQZVWTJ-CQSZACIVSA-N 0 0 396.473 0.491 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NCc2ccn(C)n2)CCCC1 ZINC000536565043 1197363216 /nfs/dbraw/zinc/36/32/16/1197363216.db2.gz FEKLNNFLNXFMDK-UHFFFAOYSA-N 0 0 381.458 0.932 10 0 GCAERN Cc1cc(CCNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc(C)c1O ZINC000188735239 1197364840 /nfs/dbraw/zinc/36/48/40/1197364840.db2.gz NLNSAFSLAMZUHC-UHFFFAOYSA-N 0 0 385.424 0.115 10 0 GCAERN COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000459334259 1197371781 /nfs/dbraw/zinc/37/17/81/1197371781.db2.gz LAGLAMIQKMMYIT-CQSZACIVSA-N 0 0 388.428 0.848 10 0 GCAERN C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1-n1cccn1 ZINC000131833826 1197378054 /nfs/dbraw/zinc/37/80/54/1197378054.db2.gz FVJWZYCIBDYFGD-LBPRGKRZSA-N 0 0 389.437 0.309 10 0 GCAERN CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000133878846 1197383872 /nfs/dbraw/zinc/38/38/72/1197383872.db2.gz LUOYWJOSAXRPCK-LBPRGKRZSA-N 0 0 382.411 0.250 10 0 GCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000136998983 1197391427 /nfs/dbraw/zinc/39/14/27/1197391427.db2.gz RHDZEJKREULYAZ-KRWDZBQOSA-N 0 0 376.505 0.527 10 0 GCAERN C[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)C1CCN(CC(F)(F)F)CC1 ZINC000194660781 1197399845 /nfs/dbraw/zinc/39/98/45/1197399845.db2.gz XJRHTWQRIPHYOC-NSHDSACASA-N 0 0 378.395 0.736 10 0 GCAERN COC(=O)CCCc1nc(CN2CCN(c3ccnc(N(C)C)n3)CC2)no1 ZINC000532732864 1197405051 /nfs/dbraw/zinc/40/50/51/1197405051.db2.gz XSKWLGVDCSRZFK-UHFFFAOYSA-N 0 0 389.460 0.744 10 0 GCAERN CN(C)C(=O)CN1CCN(C(=O)CN2CCCC[C@@H]2c2ccnn2C)CC1 ZINC000532726596 1197405918 /nfs/dbraw/zinc/40/59/18/1197405918.db2.gz SQEBQOBMZGRWOC-QGZVFWFLSA-N 0 0 376.505 0.180 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)NCCN2C(=O)Cc3ccccc32)CC12COC2 ZINC000454419017 1197414386 /nfs/dbraw/zinc/41/43/86/1197414386.db2.gz BLGYBFUMDOQLKR-OAHLLOKOSA-N 0 0 387.436 0.797 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC12COC2 ZINC000454539023 1197419417 /nfs/dbraw/zinc/41/94/17/1197419417.db2.gz IJMHAFILPJCQBK-MNOVXSKESA-N 0 0 393.362 0.371 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)N(CCOC)Cc2c(C)nn(C)c2C)C1 ZINC000454688174 1197427745 /nfs/dbraw/zinc/42/77/45/1197427745.db2.gz VYXDMYYSLMGUIU-OAHLLOKOSA-N 0 0 380.493 0.999 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)NCCNC(=O)c2ccccc2F)CC12COC2 ZINC000454702839 1197428974 /nfs/dbraw/zinc/42/89/74/1197428974.db2.gz HXVHLVRVXFEFNG-AWEZNQCLSA-N 0 0 393.415 0.777 10 0 GCAERN CNS(=O)(=O)[C@H]1CCCN(CC(=O)NCCc2cccc3cccnc32)C1 ZINC000533059463 1197429600 /nfs/dbraw/zinc/42/96/00/1197429600.db2.gz JCWMNILCOYGCBK-KRWDZBQOSA-N 0 0 390.509 0.907 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2c(CC)nn(C)c2OC)CC12COC2 ZINC000454740999 1197430083 /nfs/dbraw/zinc/43/00/83/1197430083.db2.gz BKSFLQJVBQTICS-CYBMUJFWSA-N 0 0 380.445 0.712 10 0 GCAERN COc1c(F)cc(CC(=O)N2CC[C@H]([C@H]3CCOC3)C2)cc1S(N)(=O)=O ZINC000533085782 1197430487 /nfs/dbraw/zinc/43/04/87/1197430487.db2.gz GBXCIBYQFBPHJX-STQMWFEESA-N 0 0 386.445 0.909 10 0 GCAERN CNS(=O)(=O)[C@@H]1CCN(C(=O)CN2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000533082712 1197431454 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GCAERN CN(C)C(=O)c1cc(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)ccn1 ZINC000673858425 1199961482 /nfs/dbraw/zinc/96/14/82/1199961482.db2.gz CTHPYLBCDDGCRP-CQSZACIVSA-N 0 0 375.429 0.685 10 0 GCAERN NC(=O)COc1ccc(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000673858281 1199961579 /nfs/dbraw/zinc/96/15/79/1199961579.db2.gz UINUWHUGXQNFSA-OAHLLOKOSA-N 0 0 376.413 0.452 10 0 GCAERN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)N(C)Cc3nnnn3C)C2)c1 ZINC000466558437 1199991136 /nfs/dbraw/zinc/99/11/36/1199991136.db2.gz DMSCMNIRXDRJEX-ZDUSSCGKSA-N 0 0 389.460 0.895 10 0 GCAERN CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@@H]3COCCN3C)cc2CC1 ZINC000625515848 1199991220 /nfs/dbraw/zinc/99/12/20/1199991220.db2.gz KBJQDRYCJWONGT-QGZVFWFLSA-N 0 0 381.498 0.243 10 0 GCAERN COC[C@@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(F)cc1 ZINC000466564289 1200026788 /nfs/dbraw/zinc/02/67/88/1200026788.db2.gz FFBKWGXDHIXDCJ-MRXNPFEDSA-N 0 0 392.431 0.646 10 0 GCAERN O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)N1CCN(C2CC2)C(=O)C1 ZINC000673970963 1200037843 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0 0 391.424 0.840 10 0 GCAERN COCCC(=O)COC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O ZINC000771445915 1202143116 /nfs/dbraw/zinc/14/31/16/1202143116.db2.gz IZJSENLTYBYDRL-LJQANCHMSA-N 0 0 392.408 0.919 10 0 GCAERN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCCc2ncc[nH]2)C1=O ZINC000771484967 1202143807 /nfs/dbraw/zinc/14/38/07/1202143807.db2.gz GTETYLDYIOQAGK-IBGZPJMESA-N 0 0 385.424 0.853 10 0 GCAERN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cnn(C)c1C1CC1 ZINC000771491855 1202144144 /nfs/dbraw/zinc/14/41/44/1202144144.db2.gz DLOKURYFDCZDEK-SNVBAGLBSA-N 0 0 391.453 0.702 10 0 GCAERN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(C)CC[C@H](C)O)C1=O ZINC000771539743 1202147102 /nfs/dbraw/zinc/14/71/02/1202147102.db2.gz FXYNLMLBJAAVRO-ORAYPTAESA-N 0 0 377.441 1.000 10 0 GCAERN COC(=O)[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O ZINC000771586508 1202148303 /nfs/dbraw/zinc/14/83/03/1202148303.db2.gz RTOMPCSQLNAAGR-ADLMAVQZSA-N 0 0 377.397 0.448 10 0 GCAERN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NC2=CC=NCC2=O)C1=O ZINC000771565845 1202149199 /nfs/dbraw/zinc/14/91/99/1202149199.db2.gz KXSGWFGYCZSARQ-IBGZPJMESA-N 0 0 384.392 0.932 10 0 GCAERN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCCCC(N)=O)C1=O ZINC000771616099 1202151287 /nfs/dbraw/zinc/15/12/87/1202151287.db2.gz JQUVDPMWNWTSBS-GOSISDBHSA-N 0 0 377.397 0.579 10 0 GCAERN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCc2ncnn2C)C1=O ZINC000771630707 1202154192 /nfs/dbraw/zinc/15/41/92/1202154192.db2.gz NQCLDAUEFZQYTB-SFHVURJKSA-N 0 0 387.396 0.643 10 0 GCAERN CCN(CC)C(=O)CNS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC ZINC000771748411 1202156702 /nfs/dbraw/zinc/15/67/02/1202156702.db2.gz VWJQMAFHZRBOOE-UHFFFAOYSA-N 0 0 388.442 0.637 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)NC2CN(C(=O)OC)C2)c1OC ZINC000771781417 1202159300 /nfs/dbraw/zinc/15/93/00/1202159300.db2.gz NKYNKVLBECYKAN-UHFFFAOYSA-N 0 0 388.398 0.219 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)NC[C@H](O)c2cnn(C)c2)c1OC ZINC000771770570 1202161890 /nfs/dbraw/zinc/16/18/90/1202161890.db2.gz GLVANWOWFUYULP-NSHDSACASA-N 0 0 399.425 0.236 10 0 GCAERN COC(=O)[C@H](OC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O)C1CC1 ZINC000771845534 1202163120 /nfs/dbraw/zinc/16/31/20/1202163120.db2.gz MOHFGPIZNPUMSZ-UHOFOFEASA-N 0 0 399.465 0.826 10 0 GCAERN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCCn2ccnc2)[C@@H](C)O)cc1C ZINC000771850484 1202167201 /nfs/dbraw/zinc/16/72/01/1202167201.db2.gz LWLKUFAFLATYRN-GDBMZVCRSA-N 0 0 381.454 0.771 10 0 GCAERN COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)C1CC1 ZINC000771932075 1202170697 /nfs/dbraw/zinc/17/06/97/1202170697.db2.gz NCUCPFXMBYEZSG-OAHLLOKOSA-N 0 0 384.410 0.418 10 0 GCAERN CCN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000787573106 1205393857 /nfs/dbraw/zinc/39/38/57/1205393857.db2.gz ZFZWADGGSQODIO-UHFFFAOYSA-N 0 0 379.438 0.370 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1OC ZINC000787601949 1205396710 /nfs/dbraw/zinc/39/67/10/1205396710.db2.gz IIKIJOOWYJFBQU-NXEZZACHSA-N 0 0 399.831 0.860 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)cnc1Cl ZINC000787601536 1205396765 /nfs/dbraw/zinc/39/67/65/1205396765.db2.gz DLAWSUNWHHNHLX-NXEZZACHSA-N 0 0 384.820 0.554 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000787662216 1205398055 /nfs/dbraw/zinc/39/80/55/1205398055.db2.gz OQJHGAKNEAPHBC-RKDXNWHRSA-N 0 0 380.430 0.043 10 0 GCAERN CC(C)c1nnc2n1CCN(C(=O)C(=O)NCc1cccc(C(N)=O)c1)[C@@H]2C ZINC000787854539 1205404768 /nfs/dbraw/zinc/40/47/68/1205404768.db2.gz DXZNSQDQIPKUIL-GFCCVEGCSA-N 0 0 384.440 0.720 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000787852930 1205404874 /nfs/dbraw/zinc/40/48/74/1205404874.db2.gz CADXCOLRUAOABF-KPHLJTLVSA-N 0 0 386.470 0.774 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](O)c1ccc(OC)cc1 ZINC000787880332 1205405181 /nfs/dbraw/zinc/40/51/81/1205405181.db2.gz GEMRMGXOYOOFIP-HUBLWGQQSA-N 0 0 381.429 0.484 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N(C)Cc1cccc(C(N)=O)c1 ZINC000787883271 1205405224 /nfs/dbraw/zinc/40/52/24/1205405224.db2.gz UCAFHJKYFZRITD-NEPJUHHUSA-N 0 0 378.429 0.383 10 0 GCAERN C[C@@H](CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCCCC1=O ZINC000787975989 1205410453 /nfs/dbraw/zinc/41/04/53/1205410453.db2.gz XTOJDLAIYSNCHY-LHSJRXKWSA-N 0 0 398.463 0.897 10 0 GCAERN C[C@H](CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCCCC1=O ZINC000787975994 1205410480 /nfs/dbraw/zinc/41/04/80/1205410480.db2.gz XTOJDLAIYSNCHY-SPLOXXLWSA-N 0 0 398.463 0.897 10 0 GCAERN O=C1NC(=O)[C@@]2(CCCN(S(=O)(=O)c3ccc(N4CCOC4=O)cc3)C2)N1 ZINC000788709114 1205428758 /nfs/dbraw/zinc/42/87/58/1205428758.db2.gz CLXSZEYGLYICFS-INIZCTEOSA-N 0 0 394.409 0.006 10 0 GCAERN C[C@@H](NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1ncnn1C ZINC000789273924 1205438358 /nfs/dbraw/zinc/43/83/58/1205438358.db2.gz SJEZXWXKYNRDNT-VXGBXAGGSA-N 0 0 380.449 0.508 10 0 GCAERN CCN(CC(N)=O)C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O ZINC000789696397 1205445474 /nfs/dbraw/zinc/44/54/74/1205445474.db2.gz RYMNRXQXNGTGGM-GOSISDBHSA-N 0 0 376.413 0.104 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)nc1C ZINC000789783310 1205446945 /nfs/dbraw/zinc/44/69/45/1205446945.db2.gz TXOMUTCHUQVHLX-ZJUUUORDSA-N 0 0 384.820 0.554 10 0 GCAERN Cn1ncc(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c1C1CC1 ZINC000789809853 1205449150 /nfs/dbraw/zinc/44/91/50/1205449150.db2.gz XAMOADBMXNJCJH-ZDUSSCGKSA-N 0 0 395.485 0.263 10 0 GCAERN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000790236272 1205459607 /nfs/dbraw/zinc/45/96/07/1205459607.db2.gz WCSWDIYCFMDZPJ-VOJFVSQTSA-N 0 0 378.429 0.444 10 0 GCAERN O=C(C[C@@H](c1ccccc1)N1CCOC1=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000790239421 1205459721 /nfs/dbraw/zinc/45/97/21/1205459721.db2.gz MLUBBOPYOGWHJG-IFXJQAMLSA-N 0 0 386.408 0.771 10 0 GCAERN CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000790232627 1205460520 /nfs/dbraw/zinc/46/05/20/1205460520.db2.gz APUWZVGFMFXXIB-HQOQDVMHSA-N 0 0 392.456 0.834 10 0 GCAERN O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000790232470 1205460655 /nfs/dbraw/zinc/46/06/55/1205460655.db2.gz XNUAHUZFIBREJY-QGZVFWFLSA-N 0 0 392.799 0.266 10 0 GCAERN C[C@@H](C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000790235719 1205460827 /nfs/dbraw/zinc/46/08/27/1205460827.db2.gz VFKBFQOTTHCYKR-ADLMAVQZSA-N 0 0 380.445 0.690 10 0 GCAERN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000790235600 1205460859 /nfs/dbraw/zinc/46/08/59/1205460859.db2.gz TVTZZVUYBTWWOB-SGTLLEGYSA-N 0 0 380.445 0.880 10 0 GCAERN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)N2CCC2)[C@H](C)O)cc1C ZINC000746902184 1205462916 /nfs/dbraw/zinc/46/29/16/1205462916.db2.gz ZIWXSKNSORJDJX-XJKSGUPXSA-N 0 0 384.454 0.107 10 0 GCAERN Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)cnc21 ZINC000746913772 1205465094 /nfs/dbraw/zinc/46/50/94/1205465094.db2.gz GPZIMJQAILAFBN-UHFFFAOYSA-N 0 0 383.316 0.803 10 0 GCAERN CN(C)S(=O)(=O)c1cnn(CN2CCO[C@H](COc3ccccc3)C2)c1 ZINC000790466742 1205466289 /nfs/dbraw/zinc/46/62/89/1205466289.db2.gz HAUDAOITERAITO-INIZCTEOSA-N 0 0 380.470 0.871 10 0 GCAERN C[C@H](OC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000790674065 1205468446 /nfs/dbraw/zinc/46/84/46/1205468446.db2.gz YFNFPZYYWFHASY-YEJXKQKISA-N 0 0 398.415 0.933 10 0 GCAERN C[C@H](OC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000790674068 1205468450 /nfs/dbraw/zinc/46/84/50/1205468450.db2.gz YFNFPZYYWFHASY-ZSEKCTLFSA-N 0 0 398.415 0.933 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)O[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000790671044 1205468467 /nfs/dbraw/zinc/46/84/67/1205468467.db2.gz NDWFYSCWJOYFDF-KDOFPFPSSA-N 0 0 378.812 0.893 10 0 GCAERN CCOC(=O)[C@]1(CCOC(=O)[C@@](C)(O)Cn2ccccc2=O)CCCC1=O ZINC000790676357 1205468469 /nfs/dbraw/zinc/46/84/69/1205468469.db2.gz FZXNPJQKPSJCBJ-OALUTQOASA-N 0 0 379.409 0.835 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000790671483 1205468472 /nfs/dbraw/zinc/46/84/72/1205468472.db2.gz OTHLFZXSGPDAJN-FQEVSTJZSA-N 0 0 384.388 0.910 10 0 GCAERN CN(C)S(=O)(=O)c1ccc(COC(=O)[C@](C)(O)Cn2ccccc2=O)cc1 ZINC000790683440 1205468474 /nfs/dbraw/zinc/46/84/74/1205468474.db2.gz CMUWTOXTLHDIQI-GOSISDBHSA-N 0 0 394.449 0.593 10 0 GCAERN COc1ccc(NC(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)cc1OC ZINC000790675373 1205468480 /nfs/dbraw/zinc/46/84/80/1205468480.db2.gz BXZXYYFVCIRCPE-LJQANCHMSA-N 0 0 390.392 0.798 10 0 GCAERN CCOC(=O)[C@@]1(CCOC(=O)[C@](C)(O)Cn2ccccc2=O)CCCC1=O ZINC000790676360 1205468485 /nfs/dbraw/zinc/46/84/85/1205468485.db2.gz FZXNPJQKPSJCBJ-RTBURBONSA-N 0 0 379.409 0.835 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000790677022 1205468603 /nfs/dbraw/zinc/46/86/03/1205468603.db2.gz HRZAEELMHRGAGD-IBGZPJMESA-N 0 0 385.376 0.128 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)CN1C(=O)c2ccccc2C1=O ZINC000790676480 1205468645 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530773464 /nfs/dbraw/zinc/77/34/64/530773464.db2.gz DAEJJYVDQCLRGV-LBPRGKRZSA-N 0 0 394.540 0.392 10 0 GCAERN O=S(=O)(C[C@@H]1CCCO1)c1ccc(NS(=O)(=O)N2CCOCC2)cc1 ZINC000481586588 530779257 /nfs/dbraw/zinc/77/92/57/530779257.db2.gz MEUQEMUDFGBFKB-AWEZNQCLSA-N 0 0 390.483 0.628 10 0 GCAERN CCOC(=O)c1csc(CCNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)n1 ZINC000615852364 530784783 /nfs/dbraw/zinc/78/47/83/530784783.db2.gz SKNGIZWZJSULKF-LBPRGKRZSA-N 0 0 389.499 0.793 10 0 GCAERN CCOC(=O)c1csc(CCNC(=O)[C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000615854499 530784909 /nfs/dbraw/zinc/78/49/09/530784909.db2.gz VWGVFXLDXIANNG-NSHDSACASA-N 0 0 375.472 0.403 10 0 GCAERN O=C(NCCS(=O)(=O)NCC1CCC1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000482475471 530785061 /nfs/dbraw/zinc/78/50/61/530785061.db2.gz LNPVODMHQSJFGT-CYBMUJFWSA-N 0 0 387.424 0.805 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)[C@H](C)CS(C)(=O)=O)cc1C ZINC000482971083 530787985 /nfs/dbraw/zinc/78/79/85/530787985.db2.gz QBHFJMJWRJFYKA-CQSZACIVSA-N 0 0 390.527 0.815 10 0 GCAERN 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/nfs/dbraw/zinc/85/18/71/530851871.db2.gz CODDPLSYPHVMIO-CYBMUJFWSA-N 0 0 381.274 0.812 10 0 GCAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)N1CCc2ccc(Br)cc21 ZINC000178962790 530852357 /nfs/dbraw/zinc/85/23/57/530852357.db2.gz XBKKSYXJMREROU-CQSZACIVSA-N 0 0 393.285 0.454 10 0 GCAERN Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178958519 530852438 /nfs/dbraw/zinc/85/24/38/530852438.db2.gz FNIYPRCISPHHGV-CYBMUJFWSA-N 0 0 381.274 0.812 10 0 GCAERN O=S(=O)([C@@H]1CCN(Cc2cnc(N3CCOCC3)s2)C1)N1CCCC1 ZINC000180743546 530853446 /nfs/dbraw/zinc/85/34/46/530853446.db2.gz OUWLJWCTQXHRTP-OAHLLOKOSA-N 0 0 386.543 0.980 10 0 GCAERN CCOCc1nc([C@@H](C)NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)no1 ZINC000460933056 530854418 /nfs/dbraw/zinc/85/44/18/530854418.db2.gz FLLXORMAKVLHHE-GHMZBOCLSA-N 0 0 375.451 0.390 10 0 GCAERN NC(=O)[C@]1(O)CCN(C(=O)c2cc(I)ccc2O)C1 ZINC000311867312 530854969 /nfs/dbraw/zinc/85/49/69/530854969.db2.gz SGOPZNGJQGEQFX-LBPRGKRZSA-N 0 0 376.150 0.059 10 0 GCAERN CC(=O)N1CCc2sc(S(=O)(=O)N3CCO[C@@]4(CCOC4)C3)cc2C1 ZINC000656963158 530863443 /nfs/dbraw/zinc/86/34/43/530863443.db2.gz KOYRYCLIWJLDCQ-INIZCTEOSA-N 0 0 386.495 0.833 10 0 GCAERN CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(CCO)[C@H](C)C3)cc2C1 ZINC000656965820 530864002 /nfs/dbraw/zinc/86/40/02/530864002.db2.gz PIEGHMDHSLXPGN-GFCCVEGCSA-N 0 0 387.527 0.340 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000189357076 530865964 /nfs/dbraw/zinc/86/59/64/530865964.db2.gz LLEIOGHVFBRYEP-UHFFFAOYSA-N 0 0 378.376 0.973 10 0 GCAERN Cc1cc(N2CCN(C(=O)c3nc4ncc(Br)cn4n3)CC2)n[nH]1 ZINC000189743968 530867006 /nfs/dbraw/zinc/86/70/06/530867006.db2.gz UTQTXJRXHYGEIS-UHFFFAOYSA-N 0 0 391.233 0.881 10 0 GCAERN CN1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1=O ZINC000190638017 530867115 /nfs/dbraw/zinc/86/71/15/530867115.db2.gz WESSCGYRQGWTJN-UHFFFAOYSA-N 0 0 393.241 0.850 10 0 GCAERN Cn1nc(Br)cc1C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000192156308 530868884 /nfs/dbraw/zinc/86/88/84/530868884.db2.gz 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O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCS(=O)CC1 ZINC000108276175 530931676 /nfs/dbraw/zinc/93/16/76/530931676.db2.gz QQDYOHKCEZNUTI-LBPRGKRZSA-N 0 0 376.525 0.882 10 0 GCAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CCc2ncnn2C1 ZINC000112657338 530932915 /nfs/dbraw/zinc/93/29/15/530932915.db2.gz UPPURPLLGLGXTH-MRVPVSSYSA-N 0 0 375.863 0.403 10 0 GCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1nc3ncc(Br)cn3n1)CC2 ZINC000114866942 530933317 /nfs/dbraw/zinc/93/33/17/530933317.db2.gz IXZOCODXFMCYDO-SECBINFHSA-N 0 0 391.233 0.786 10 0 GCAERN CN(Cc1ccc([S@](C)=O)cc1)C(=O)NCCCN1CCCS1(=O)=O ZINC000610528931 530914411 /nfs/dbraw/zinc/91/44/11/530914411.db2.gz JXYNOQXBGOVXDP-DEOSSOPVSA-N 0 0 387.527 0.991 10 0 GCAERN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)NCCCN1CCCS1(=O)=O ZINC000610528932 530914440 /nfs/dbraw/zinc/91/44/40/530914440.db2.gz JXYNOQXBGOVXDP-XMMPIXPASA-N 0 0 387.527 0.991 10 0 GCAERN COC(=O)c1cc(S(=O)(=O)NCCCN2CCCS2(=O)=O)oc1C ZINC000610573999 530916240 /nfs/dbraw/zinc/91/62/40/530916240.db2.gz 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530949313 /nfs/dbraw/zinc/94/93/13/530949313.db2.gz WLWZKJQCVPRVOS-MGPQQGTHSA-N 0 0 394.515 0.158 10 0 GCAERN CS(=O)(=O)N1CCN(CC(=O)NCCOCc2ccc(Cl)cc2)CC1 ZINC000514058776 530953479 /nfs/dbraw/zinc/95/34/79/530953479.db2.gz BULHRPFHRFOXBN-UHFFFAOYSA-N 0 0 389.905 0.550 10 0 GCAERN O=C(CN1CCN(Cc2cncc(Br)c2)CC1)N1CCOCC1 ZINC000192839604 530973799 /nfs/dbraw/zinc/97/37/99/530973799.db2.gz QDJDZZTZOABKJP-UHFFFAOYSA-N 0 0 383.290 0.821 10 0 GCAERN CN1CC[C@H](NC(=O)NCCS(N)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247134171 530979453 /nfs/dbraw/zinc/97/94/53/530979453.db2.gz XAQGLNKMTLKHAT-QWHCGFSZSA-N 0 0 378.857 0.812 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCn1cc(Br)cn1 ZINC000618719863 530982931 /nfs/dbraw/zinc/98/29/31/530982931.db2.gz BVTNMSDACATANV-ZJUUUORDSA-N 0 0 389.250 0.608 10 0 GCAERN COc1c(F)cc(CC(=O)NCC(=O)OC(C)(C)C)cc1S(N)(=O)=O ZINC000523746282 530982933 /nfs/dbraw/zinc/98/29/33/530982933.db2.gz AYIFIXAVGDDNKU-UHFFFAOYSA-N 0 0 376.406 0.482 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000015324212 530983014 /nfs/dbraw/zinc/98/30/14/530983014.db2.gz LDHSDFLHVPHFFJ-UHFFFAOYSA-N 0 0 384.435 0.599 10 0 GCAERN O=C(CCN1CCCS1(=O)=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 ZINC000524061195 530984016 /nfs/dbraw/zinc/98/40/16/530984016.db2.gz IUFRPKKTFUPVQN-CQSZACIVSA-N 0 0 383.495 0.952 10 0 GCAERN C[C@H](NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1ccc(S(N)(=O)=O)cc1 ZINC000630070849 530967628 /nfs/dbraw/zinc/96/76/28/530967628.db2.gz CMUKSDDFCLZIDX-NKFCBESUSA-N 0 0 383.495 0.965 10 0 GCAERN C[C@H](NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1ccc(S(N)(=O)=O)cc1 ZINC000630070850 530967768 /nfs/dbraw/zinc/96/77/68/530967768.db2.gz CMUKSDDFCLZIDX-OWRWGESLSA-N 0 0 383.495 0.965 10 0 GCAERN O=S(=O)(NC[C@H](O)CN1CCOCC1)c1ccc(CC(F)(F)F)cc1 ZINC000190079783 530971618 /nfs/dbraw/zinc/97/16/18/530971618.db2.gz FHCJOUKABYENCR-ZDUSSCGKSA-N 0 0 382.404 0.763 10 0 GCAERN C[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)N1CCCCC1=O ZINC000526016359 530996672 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Cc1cc(N2CCC[C@H](NS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)C2=O)n(C)n1 ZINC000328615729 209146832 /nfs/dbraw/zinc/14/68/32/209146832.db2.gz YYBDFVWJEXTMBW-MCIONIFRSA-N 0 0 385.490 0.168 10 0 GCAERN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)N1CCNC(=O)C1 ZINC000055357891 205147725 /nfs/dbraw/zinc/14/77/25/205147725.db2.gz LJYMLWAYONROSO-CQSZACIVSA-N 0 0 398.385 0.354 10 0 GCAERN COC(=O)N1CC[C@@]23c4c5c(OC)ccc4C[C@@H]1[C@]2(O)[C@@H](O)CC(=O)[C@@H]3O5 ZINC000077286974 205357713 /nfs/dbraw/zinc/35/77/13/205357713.db2.gz NXOJZPAMXKBXTA-RUXMKHLXSA-N 0 0 375.377 0.156 10 0 in-vitro GCAERN COC(=O)[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCN1C(=O)CSC ZINC000003842120 205732069 /nfs/dbraw/zinc/73/20/69/205732069.db2.gz PQYWJHHUTZGKQO-OAHLLOKOSA-N 0 0 379.482 0.942 10 0 biogenic GCAERN Cc1nn(C)c2ncc(S(=O)(=O)N3CCO[C@H](c4cnn(C)c4)C3)cc12 ZINC000097012690 206122573 /nfs/dbraw/zinc/12/25/73/206122573.db2.gz HMVSJHIJTQGFPC-HNNXBMFYSA-N 0 0 376.442 0.772 10 0 GCAERN CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(OC)c2)CN1C(=O)CCOC ZINC000096164332 211316291 /nfs/dbraw/zinc/31/62/91/211316291.db2.gz PGKFCFIURRMMQT-HOCLYGCPSA-N 0 0 377.441 0.567 10 0 GCAERN CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc(NC)nc2)CN1C1CCOCC1 ZINC000095517330 211264097 /nfs/dbraw/zinc/26/40/97/211264097.db2.gz UHKMSFVDNRYVEX-HIFRSBDPSA-N 0 0 376.461 0.006 10 0 GCAERN O=C1c2ccccc2C(=O)N1[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1 ZINC000090728757 211038382 /nfs/dbraw/zinc/03/83/82/211038382.db2.gz JNORQWPZZDBBOP-BWZHCXAASA-N 0 0 399.399 0.307 10 0 GCAERN COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N1CCC(O)CC1 ZINC000055154907 210884536 /nfs/dbraw/zinc/88/45/36/210884536.db2.gz IHZUQGFSWOYTOV-MJICGBHWSA-N 0 0 387.480 0.882 10 0 GCAERN COC(=O)CC1=C(C(=O)OC)[C@@]2(c3ccccc3-c3oc(N)nc32)C(=O)N1C ZINC000020219946 210324210 /nfs/dbraw/zinc/32/42/10/210324210.db2.gz FFPSMQGYCSIYAX-LJQANCHMSA-N 0 0 383.360 0.986 10 0 GCAERN COC(=O)CC1=C(C(=O)OC)[C@@]2(c3ccccc3-c3oc(N)nc32)C(=O)N1CO ZINC000020220482 210323766 /nfs/dbraw/zinc/32/37/66/210323766.db2.gz 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Cc1cc([C@@H](C)NC(=O)Cn2cc(C[C@@H]3NC(=O)NC3=O)nn2)c(C)s1 ZINC000583623890 570801892 /nfs/dbraw/zinc/80/18/92/570801892.db2.gz NFFGDXPIDLLPSD-RNCFNFMXSA-N 0 0 376.442 0.584 10 0 GCAERN Cn1c2ccc(S(=O)(=O)NCc3cn4c(n3)CCCC4)cc2n(C)c1=O ZINC000097000826 570885884 /nfs/dbraw/zinc/88/58/84/570885884.db2.gz CBMFENFMLLJQJN-UHFFFAOYSA-N 0 0 375.454 0.888 10 0 GCAERN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)cc1C ZINC000051136806 638497973 /nfs/dbraw/zinc/49/79/73/638497973.db2.gz CFMLRZFIPYSMQZ-CQSZACIVSA-N 0 0 385.463 0.593 10 0 GCAERN CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCCCN1CCCS1(=O)=O ZINC000725758993 638547455 /nfs/dbraw/zinc/54/74/55/638547455.db2.gz MGVLYMCSCWDXPI-GFCCVEGCSA-N 0 0 393.531 0.838 10 0 GCAERN O=S(=O)(c1ccc(I)cc1)N1CCOC[C@@H]1CO ZINC000168651322 638593307 /nfs/dbraw/zinc/59/33/07/638593307.db2.gz JLQDLPCNKUPRNZ-JTQLQIEISA-N 0 0 383.207 0.673 10 0 GCAERN CC(=O)NC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000188563676 638621081 /nfs/dbraw/zinc/62/10/81/638621081.db2.gz AVULGQCIBRZVMO-UHFFFAOYSA-N 0 0 378.204 0.866 10 0 GCAERN O=S1(=O)CCNC[C@@H]1CCNc1ncc(I)cn1 ZINC000721714553 638621941 /nfs/dbraw/zinc/62/19/41/638621941.db2.gz FWFFGALCOCMFAF-VIFPVBQESA-N 0 0 382.227 0.270 10 0 GCAERN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCCCN1CCCS1(=O)=O ZINC000728026311 639066399 /nfs/dbraw/zinc/06/63/99/639066399.db2.gz ZNQOKPJCRSTNKJ-BLXFFLACSA-N 0 0 389.543 0.786 10 0 GCAERN CN(CCS(C)(=O)=O)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000728027661 639067284 /nfs/dbraw/zinc/06/72/84/639067284.db2.gz HLDJMFBWBMWMPW-UHFFFAOYSA-N 0 0 382.463 0.852 10 0 GCAERN Cc1ccccc1CC(=O)N1CCN(C(=S)NCCS(C)(=O)=O)CC1 ZINC000729158413 639154756 /nfs/dbraw/zinc/15/47/56/639154756.db2.gz BGFUJLPHXBVANF-UHFFFAOYSA-N 0 0 383.539 0.601 10 0 GCAERN C/C(=C\C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CN1CCOCC1 ZINC000908125914 639440214 /nfs/dbraw/zinc/44/02/14/639440214.db2.gz SGQMSJJPNNNIKA-JATZPVMKSA-N 0 0 387.424 0.203 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)O[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000909685315 639476483 /nfs/dbraw/zinc/47/64/83/639476483.db2.gz PJWBZOORMQWULE-CHWSQXEVSA-N 0 0 385.214 0.766 10 0 GCAERN O=C(CS(=O)(=O)Cc1cccc(Br)c1)N1CCOC[C@@H]1CO ZINC000912419949 639538417 /nfs/dbraw/zinc/53/84/17/639538417.db2.gz BAZKVWQOALWUJV-ZDUSSCGKSA-N 0 0 392.271 0.584 10 0 GCAERN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC000056125054 639589199 /nfs/dbraw/zinc/58/91/99/639589199.db2.gz ZPTTWBKHMLDASZ-CQSZACIVSA-N 0 0 385.463 0.593 10 0 GCAERN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000056125089 639589253 /nfs/dbraw/zinc/58/92/53/639589253.db2.gz VHQOVKIHGSTXIU-LLVKDONJSA-N 0 0 391.442 0.654 10 0 GCAERN C=CCNC(=O)COC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000046384841 639625063 /nfs/dbraw/zinc/62/50/63/639625063.db2.gz DYVIYWSBOQRRFE-UHFFFAOYSA-N 0 0 377.216 0.556 10 0 GCAERN NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cc1 ZINC000170225977 639629978 /nfs/dbraw/zinc/62/99/78/639629978.db2.gz GRUVBMXIRKYIMD-LLVKDONJSA-N 0 0 379.360 0.504 10 0 GCAERN CCc1cc(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)n[nH]1 ZINC000170727620 639631203 /nfs/dbraw/zinc/63/12/03/639631203.db2.gz NWWXUTYWOQWEHI-UHFFFAOYSA-N 0 0 380.206 0.817 10 0 GCAERN O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCN(C2CC2)CC1 ZINC000171871637 639635312 /nfs/dbraw/zinc/63/53/12/639635312.db2.gz RLQQWIVEXPXJIQ-UHFFFAOYSA-N 0 0 380.461 0.740 10 0 GCAERN CC(=O)N1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000913822435 639655062 /nfs/dbraw/zinc/65/50/62/639655062.db2.gz BOGCVVAWQWKFRH-AWEZNQCLSA-N 0 0 375.491 0.880 10 0 GCAERN COC(=O)NCCc1ccc(S(=O)(=O)NCCOC[C@@H]2CCOC2)s1 ZINC000788047778 639813034 /nfs/dbraw/zinc/81/30/34/639813034.db2.gz UDRFPHYFDRZQFC-GFCCVEGCSA-N 0 0 392.499 0.978 10 0 GCAERN O=C([C@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC(n2cncn2)C1 ZINC000732760420 639814270 /nfs/dbraw/zinc/81/42/70/639814270.db2.gz WFJQSECZYMBSAK-CYBMUJFWSA-N 0 0 381.483 0.966 10 0 GCAERN CN(C)c1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc(Cl)n1 ZINC000733124463 639830234 /nfs/dbraw/zinc/83/02/34/639830234.db2.gz 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Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NC[C@H](O)C(F)(F)F ZINC000735194181 640017330 /nfs/dbraw/zinc/01/73/30/640017330.db2.gz QYIHZJVYCDNHER-NSHDSACASA-N 0 0 382.360 0.518 10 0 GCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000735202088 640018134 /nfs/dbraw/zinc/01/81/34/640018134.db2.gz ZFYOMFYMDOUFNJ-QFIPXVFZSA-N 0 0 380.875 0.567 10 0 GCAERN COC(=O)NCCc1ccc(S(=O)(=O)N2C[C@@H](CO)OC[C@@H]2C)s1 ZINC000788071073 640023598 /nfs/dbraw/zinc/02/35/98/640023598.db2.gz WQJDEKUNIKYZLW-QWRGUYRKSA-N 0 0 378.472 0.417 10 0 GCAERN COC(=O)NCCc1ccc(S(=O)(=O)N2CCSC[C@H]2CO)s1 ZINC000788071080 640023660 /nfs/dbraw/zinc/02/36/60/640023660.db2.gz AGRKCVMKFWOVLD-SNVBAGLBSA-N 0 0 380.513 0.745 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000736179333 640040506 /nfs/dbraw/zinc/04/05/06/640040506.db2.gz QZBULRRHCJASEV-GJZGRUSLSA-N 0 0 383.495 0.519 10 0 GCAERN Cn1ncc(Cl)c1S(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702762230 640124670 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377.507 0.923 10 0 GCAERN CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)N2CCCCCC2)[C@H](O)C1 ZINC000705661743 640130090 /nfs/dbraw/zinc/13/00/90/640130090.db2.gz XLGMFMOBOVNWEF-UONOGXRCSA-N 0 0 377.507 0.925 10 0 GCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000742891682 640250277 /nfs/dbraw/zinc/25/02/77/640250277.db2.gz BARCNUHXOPUBCP-OAHLLOKOSA-N 0 0 385.511 0.653 10 0 GCAERN CON(C)C(=O)CCSc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000804902367 640267195 /nfs/dbraw/zinc/26/71/95/640267195.db2.gz DKNQGUDCBNLDGH-UHFFFAOYSA-N 0 0 375.472 0.605 10 0 GCAERN C[S@](=O)CCNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000745846423 640284613 /nfs/dbraw/zinc/28/46/13/640284613.db2.gz XQJLWEOMEXATIK-VWLOTQADSA-N 0 0 387.889 0.951 10 0 GCAERN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000746132115 640288391 /nfs/dbraw/zinc/28/83/91/640288391.db2.gz MQZOOGXXIWZIJC-KBXIAJHMSA-N 0 0 390.527 0.084 10 0 GCAERN CSCCN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000749365895 640343952 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CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NCC[S@@](=O)CC)CC1 ZINC000753141745 640422311 /nfs/dbraw/zinc/42/23/11/640422311.db2.gz ZNTVQJOJHDFAEU-DEOSSOPVSA-N 0 0 396.579 0.449 10 0 GCAERN CC(=O)N1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)[C@@H](C)C1 ZINC000805035195 640426130 /nfs/dbraw/zinc/42/61/30/640426130.db2.gz GAYHAHQSLPJJJM-JTQLQIEISA-N 0 0 396.437 0.924 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)N2CCN(CC[S@@](C)=O)CC2)c(C)c1 ZINC000754423164 640453292 /nfs/dbraw/zinc/45/32/92/640453292.db2.gz BJPPQKUMOQKKFP-XMMPIXPASA-N 0 0 388.511 0.466 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805081954 640470708 /nfs/dbraw/zinc/47/07/08/640470708.db2.gz GVDLHMYVXUQFBT-HTQZYQBOSA-N 0 0 381.813 0.609 10 0 GCAERN CN(Cc1cnccn1)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000756144800 640482433 /nfs/dbraw/zinc/48/24/33/640482433.db2.gz BLUMYBGAGSTTOL-UHFFFAOYSA-N 0 0 381.380 0.932 10 0 GCAERN CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCO[C@H](C(F)F)C2)cn1C ZINC000805095147 640484532 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CCN(CC(=O)OC)C(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000760527750 640573850 /nfs/dbraw/zinc/57/38/50/640573850.db2.gz VPRSRLDYDRPRLU-SNVBAGLBSA-N 0 0 377.850 0.813 10 0 GCAERN CCNC(=O)N1CC[C@@H](NS(=O)(=O)C2CCN(C(=O)OCC)CC2)C1 ZINC000760618152 640577085 /nfs/dbraw/zinc/57/70/85/640577085.db2.gz WCAXUSUNKPMUSR-GFCCVEGCSA-N 0 0 376.479 0.331 10 0 GCAERN O=S(=O)([C@H]1CCS(=O)(=O)C1)N1CCN(Cc2ncc(C3CC3)o2)CC1 ZINC000760851723 640583124 /nfs/dbraw/zinc/58/31/24/640583124.db2.gz AZSUMHLEAASLAD-ZDUSSCGKSA-N 0 0 389.499 0.187 10 0 GCAERN NS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cncc(Cl)n2)CC1 ZINC000760871879 640584310 /nfs/dbraw/zinc/58/43/10/640584310.db2.gz YAVMBRLBVLRQHB-UHFFFAOYSA-N 0 0 381.845 0.740 10 0 GCAERN CS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000762748485 640615248 /nfs/dbraw/zinc/61/52/48/640615248.db2.gz AIICEGAGMXZRHE-QMMMGPOBSA-N 0 0 390.259 0.735 10 0 GCAERN CN(Cn1nc(C2CC2)n(CCC(N)=O)c1=S)CC(C)(C)S(C)(=O)=O ZINC000763318580 640624923 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ZINC000187255425 1192521918 /nfs/dbraw/zinc/52/19/18/1192521918.db2.gz MYAIFVBEUJOJBS-FXAWDEMLSA-N 0 0 396.491 0.948 10 0 GCAERN Cn1cc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2C[C@H]2CCCCO2)cn1 ZINC000549659417 1192560650 /nfs/dbraw/zinc/56/06/50/1192560650.db2.gz HIXXRFMNNPDMTJ-DLBZAZTESA-N 0 0 387.488 0.769 10 0 GCAERN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1[C@@H](C)CC(O)C[C@@H]1C ZINC000408380509 1192587136 /nfs/dbraw/zinc/58/71/36/1192587136.db2.gz AAXHIGARRCVYJZ-RWMBFGLXSA-N 0 0 381.498 0.845 10 0 GCAERN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1[C@H](C)CC(O)C[C@H]1C ZINC000408380507 1192587326 /nfs/dbraw/zinc/58/73/26/1192587326.db2.gz AAXHIGARRCVYJZ-JHJVBQTASA-N 0 0 381.498 0.845 10 0 GCAERN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000408380508 1192587433 /nfs/dbraw/zinc/58/74/33/1192587433.db2.gz AAXHIGARRCVYJZ-QVHKTLOISA-N 0 0 381.498 0.845 10 0 GCAERN C[C@@H](NC(=O)CN1CCN(C)[C@@H](c2nccn2C)C1)C(=O)N1CCCCC1 ZINC000279905100 1192616165 /nfs/dbraw/zinc/61/61/65/1192616165.db2.gz DPFCNBBQQMCUMT-HZPDHXFCSA-N 0 0 376.505 0.226 10 0 GCAERN Cc1c(NC(=O)C(=O)N(CCO)CCN2CCOCC2)cccc1N(C)C ZINC000437270120 1192626838 /nfs/dbraw/zinc/62/68/38/1192626838.db2.gz SKTBKNADGWXBLN-UHFFFAOYSA-N 0 0 378.473 0.153 10 0 GCAERN CCOC(=O)[C@H](NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)[C@@H]1CCCOC1 ZINC000512441604 1192700362 /nfs/dbraw/zinc/70/03/62/1192700362.db2.gz QEEWGJHCBQCZPK-BXUZGUMPSA-N 0 0 387.458 0.021 10 0 GCAERN CS(=O)(=O)N1CC[C@H](CNC(=O)NCCCc2nnc3ccccn32)C1 ZINC000512467663 1192730762 /nfs/dbraw/zinc/73/07/62/1192730762.db2.gz HRAZNSLCGDUKJS-CYBMUJFWSA-N 0 0 380.474 0.243 10 0 GCAERN CS(=O)(=O)N1CC[C@@H](CNC(=O)CN2CCN(Cc3ccccc3)CC2)C1 ZINC000152041690 1192736632 /nfs/dbraw/zinc/73/66/32/1192736632.db2.gz VPMMGWRLILIWKV-SFHVURJKSA-N 0 0 394.541 0.202 10 0 GCAERN NC(=O)CC[C@@H](NC(=O)CCC1CCCC1)C(=O)N[C@H]1CCCCNC1=O ZINC000509724059 1192781734 /nfs/dbraw/zinc/78/17/34/1192781734.db2.gz IQLFLGUEKDWCDN-LSDHHAIUSA-N 0 0 380.489 0.492 10 0 GCAERN NC(=O)CC[C@@H](NC(=O)CCC1CCCC1)C(=O)N[C@@H]1CCCCNC1=O ZINC000509724058 1192781968 /nfs/dbraw/zinc/78/19/68/1192781968.db2.gz IQLFLGUEKDWCDN-HUUCEWRRSA-N 0 0 380.489 0.492 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)C1 ZINC000473303600 1192860246 /nfs/dbraw/zinc/86/02/46/1192860246.db2.gz SMKVEJJJOBDQEU-CYBMUJFWSA-N 0 0 388.428 0.289 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cc(C(=O)OC)c(F)cc2F)C1 ZINC000473303143 1192860514 /nfs/dbraw/zinc/86/05/14/1192860514.db2.gz GMPNJZMTAJYQEI-VIFPVBQESA-N 0 0 398.366 0.610 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)C1 ZINC000473314571 1192862546 /nfs/dbraw/zinc/86/25/46/1192862546.db2.gz JYAXICNXCGLRQJ-HNNXBMFYSA-N 0 0 387.440 0.454 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)C1 ZINC000473316513 1192863555 /nfs/dbraw/zinc/86/35/55/1192863555.db2.gz QEDFCNVUVSHERN-CQSZACIVSA-N 0 0 376.413 0.722 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3nnc(C)o3)c2)C1 ZINC000473324870 1192866151 /nfs/dbraw/zinc/86/61/51/1192866151.db2.gz KBLRWXWLPJGPOV-AWEZNQCLSA-N 0 0 386.412 0.904 10 0 GCAERN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H](CO)CC2CCCC2)c1 ZINC000549739838 1192866855 /nfs/dbraw/zinc/86/68/55/1192866855.db2.gz JXNYHFPKPYUQAO-AWEZNQCLSA-N 0 0 397.497 0.899 10 0 GCAERN Cc1cc(C(=O)N2CCN3C(=O)N=NC3C2)cc(S(=O)(=O)N(C)C)c1C ZINC000408417960 1192868256 /nfs/dbraw/zinc/86/82/56/1192868256.db2.gz USEPLMZDLGBAOB-UHFFFAOYSA-N 0 0 379.442 0.507 10 0 GCAERN CN(C)C(=O)Cn1cc(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)nn1 ZINC000473372100 1192879484 /nfs/dbraw/zinc/87/94/84/1192879484.db2.gz LEQITHHYPKIWFX-UHFFFAOYSA-N 0 0 383.416 0.265 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CC3CC3)CC2)c1 ZINC000473381093 1192882740 /nfs/dbraw/zinc/88/27/40/1192882740.db2.gz UYLKGGCGOVZKTN-UHFFFAOYSA-N 0 0 380.470 0.087 10 0 GCAERN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000549790875 1192884065 /nfs/dbraw/zinc/88/40/65/1192884065.db2.gz ARPXPCZOUHZCOA-GOEBONIOSA-N 0 0 389.452 0.716 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ZINC000153908941 1184179971 /nfs/dbraw/zinc/17/99/71/1184179971.db2.gz YOZXKNDHQXVLFR-UHFFFAOYSA-N 0 0 389.359 0.553 10 0 GCAERN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccncn4)CC3)C2=O)n(C)n1 ZINC000547636134 1184190326 /nfs/dbraw/zinc/19/03/26/1184190326.db2.gz HVHYHOFBNAUXTR-MRXNPFEDSA-N 0 0 383.456 0.472 10 0 GCAERN NS(=O)(=O)c1ccccc1N1CCN(C(=O)CCc2ccncn2)CC1 ZINC000683153360 1184191140 /nfs/dbraw/zinc/19/11/40/1184191140.db2.gz FRCJYLJTZWSNIJ-UHFFFAOYSA-N 0 0 375.454 0.405 10 0 GCAERN Cn1cc(CNC(=O)CCNS(=O)(=O)c2cccnc2)c(C(F)(F)F)n1 ZINC000154000244 1184241960 /nfs/dbraw/zinc/24/19/60/1184241960.db2.gz OBKJWZLTPQNCDC-UHFFFAOYSA-N 0 0 391.375 0.819 10 0 GCAERN Cn1cc(/C=C/C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)c(=O)n(C)c1=O ZINC000175728491 1184248396 /nfs/dbraw/zinc/24/83/96/1184248396.db2.gz ZCBWPWYKQIOCLZ-GFOMBABLSA-N 0 0 383.448 0.957 10 0 GCAERN O=C(NC1CCN(c2ccccc2)CC1)N(CCO)CCN1CCOCC1 ZINC000119166864 1184276353 /nfs/dbraw/zinc/27/63/53/1184276353.db2.gz ZBYJCEDEBIFUAG-UHFFFAOYSA-N 0 0 376.501 0.992 10 0 GCAERN CC(C)OC(=O)[C@@H]1CCCN1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000533378731 1184314204 /nfs/dbraw/zinc/31/42/04/1184314204.db2.gz PFCMQUQVVXAYRM-INIZCTEOSA-N 0 0 377.441 0.583 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000624674700 1184318940 /nfs/dbraw/zinc/31/89/40/1184318940.db2.gz GVWRTQKPXFXAFW-AWEZNQCLSA-N 0 0 388.468 0.718 10 0 GCAERN Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000254951855 1184325723 /nfs/dbraw/zinc/32/57/23/1184325723.db2.gz RKZHVBKWHDMTFJ-YVMONPNESA-N 0 0 397.479 0.796 10 0 GCAERN C[C@H](CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)Cn1cccn1 ZINC000579861136 1184382664 /nfs/dbraw/zinc/38/26/64/1184382664.db2.gz FFVIRZLEZYZAKQ-NVXWUHKLSA-N 0 0 383.452 0.725 10 0 GCAERN C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ncn(C)n1 ZINC000547715517 1184398098 /nfs/dbraw/zinc/39/80/98/1184398098.db2.gz XFDXGILQGBDWDJ-LBPRGKRZSA-N 0 0 399.498 0.639 10 0 GCAERN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCSC[C@@H]2CCO)C[C@H](C)O1 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0.735 10 0 GCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cnc(C(=O)OC(C)(C)C)cn2)C1 ZINC000549339155 1188144030 /nfs/dbraw/zinc/14/40/30/1188144030.db2.gz ICCJWTBJXYCQKN-LLVKDONJSA-N 0 0 384.458 0.586 10 0 GCAERN C[C@]1(O)CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000408053750 1188153534 /nfs/dbraw/zinc/15/35/34/1188153534.db2.gz PKERIMQATJMSTB-BORJPKMPSA-N 0 0 386.514 0.470 10 0 GCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000377940262 1189379916 /nfs/dbraw/zinc/37/99/16/1189379916.db2.gz FFPWZGPRVTXWRX-DLBZAZTESA-N 0 0 386.452 0.649 10 0 GCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000377940271 1189379972 /nfs/dbraw/zinc/37/99/72/1189379972.db2.gz FFPWZGPRVTXWRX-SJORKVTESA-N 0 0 386.452 0.649 10 0 GCAERN COC(=O)c1cccc(CS(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000377951228 1189384732 /nfs/dbraw/zinc/38/47/32/1189384732.db2.gz KKXSHXWFJXAVOU-MRXNPFEDSA-N 0 0 396.465 0.673 10 0 GCAERN O=C(NCC1CC1)[C@H]1CCCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000377962382 1189393815 /nfs/dbraw/zinc/39/38/15/1189393815.db2.gz XHCZXTXLJNVEIR-DOTOQJQBSA-N 0 0 392.500 0.714 10 0 GCAERN CC(=O)N1CCN(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1 ZINC000051153771 1189394567 /nfs/dbraw/zinc/39/45/67/1189394567.db2.gz NEZDMCAJSGAQBO-UHFFFAOYSA-N 0 0 388.516 0.721 10 0 GCAERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000472924031 1189400217 /nfs/dbraw/zinc/40/02/17/1189400217.db2.gz KDKUZKJDUBBCNP-MWLCHTKSSA-N 0 0 375.351 0.709 10 0 GCAERN Cc1ccccc1CCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000408061977 1189406554 /nfs/dbraw/zinc/40/65/54/1189406554.db2.gz LGZOENLNIVCZKD-UHFFFAOYSA-N 0 0 381.498 0.649 10 0 GCAERN CNS(=O)(=O)c1cccc(-c2nc(CN3C(=O)NC(C)(C)C3=O)no2)c1 ZINC000460830609 1189407054 /nfs/dbraw/zinc/40/70/54/1189407054.db2.gz PRYXKAKOQUAFAN-UHFFFAOYSA-N 0 0 379.398 0.475 10 0 GCAERN COc1cccc(C(=O)NCC(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1 ZINC000378047196 1189411446 /nfs/dbraw/zinc/41/14/46/1189411446.db2.gz NTOLGOPYCBQDKG-RVKKMQEKSA-N 0 0 375.425 0.367 10 0 GCAERN CCN1C(=O)[C@H]2CN(S(=O)(=O)c3ccc(C(=O)OC)cc3C)CCN2C1=O ZINC000378049386 1189411691 /nfs/dbraw/zinc/41/16/91/1189411691.db2.gz XNEWUJRBWGNRSU-CYBMUJFWSA-N 0 0 395.437 0.439 10 0 GCAERN CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3cc(OC)ccc3F)CCN2C1=O ZINC000378149441 1189426536 /nfs/dbraw/zinc/42/65/36/1189426536.db2.gz MBZXQSUUJXVEAB-ZDUSSCGKSA-N 0 0 378.360 0.268 10 0 GCAERN CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCCc2ccc(OC)c(OC)c2)C1 ZINC000378249208 1189451515 /nfs/dbraw/zinc/45/15/15/1189451515.db2.gz KDAFPEBNUFBEJV-CQSZACIVSA-N 0 0 385.486 0.970 10 0 GCAERN CO[C@H]1CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000472958112 1189466669 /nfs/dbraw/zinc/46/66/69/1189466669.db2.gz HLERSQCMIVIPSF-GLQYFDAESA-N 0 0 383.470 0.996 10 0 GCAERN Cc1cccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000408066828 1189488278 /nfs/dbraw/zinc/48/82/78/1189488278.db2.gz DLAVFYBQBHICCP-MRXNPFEDSA-N 0 0 396.513 0.517 10 0 GCAERN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN3CCOC[C@H]3C2)C1=O ZINC000363808873 1189495661 /nfs/dbraw/zinc/49/56/61/1189495661.db2.gz AVYULWXCHBPLMQ-DNVCBOLYSA-N 0 0 390.415 0.136 10 0 GCAERN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)CCCCO)c2)CC1 ZINC000472978134 1189496569 /nfs/dbraw/zinc/49/65/69/1189496569.db2.gz NKNNAYUIKIWEJW-UHFFFAOYSA-N 0 0 397.497 0.384 10 0 GCAERN CC(=O)N1Cc2ccc(S(=O)(=O)N3CCS(=O)(=O)[C@H]4CCC[C@H]43)cc2C1 ZINC000659974967 1189497801 /nfs/dbraw/zinc/49/78/01/1189497801.db2.gz SFQQKCMAKUJYCY-SJORKVTESA-N 0 0 398.506 0.889 10 0 GCAERN Cc1noc([C@H]2COCCN2C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)n1 ZINC000363826614 1189508347 /nfs/dbraw/zinc/50/83/47/1189508347.db2.gz QOJSNEBHNWJLMA-CQSZACIVSA-N 0 0 385.380 0.784 10 0 GCAERN CC(=O)N1Cc2ccc(S(=O)(=O)N3CC[C@H](Cn4ccnn4)C3)cc2C1 ZINC000659990064 1189511436 /nfs/dbraw/zinc/51/14/36/1189511436.db2.gz XKRXXTCVCMIMDU-CQSZACIVSA-N 0 0 375.454 0.851 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)c2ccc(CNS(=O)(=O)CC)cc2)C1 ZINC000472992987 1189520615 /nfs/dbraw/zinc/52/06/15/1189520615.db2.gz XQTPATBGIPQPKK-HNNXBMFYSA-N 0 0 382.486 0.660 10 0 GCAERN C[C@@H](C(=O)N1CCN2CCOC[C@@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000363847717 1189521790 /nfs/dbraw/zinc/52/17/90/1189521790.db2.gz DTQPXAZEBYTGNF-LPHOPBHVSA-N 0 0 376.476 0.879 10 0 GCAERN O=C(c1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CCN2CCOC[C@H]2C1 ZINC000363861058 1189531713 /nfs/dbraw/zinc/53/17/13/1189531713.db2.gz WCZAXJIZRNRIJK-CQSZACIVSA-N 0 0 383.445 0.423 10 0 GCAERN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000363863016 1189533341 /nfs/dbraw/zinc/53/33/41/1189533341.db2.gz AFSSIOIFPQSLQW-HNNXBMFYSA-N 0 0 381.498 0.920 10 0 GCAERN Cc1oc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1S(=O)(=O)N1CCCC1 ZINC000363864623 1189535142 /nfs/dbraw/zinc/53/51/42/1189535142.db2.gz DQWXNTXHBOYWBO-AWEZNQCLSA-N 0 0 383.470 0.529 10 0 GCAERN O=C(CCCNS(=O)(=O)c1ccc(F)cc1)N1CCN2CCOC[C@H]2C1 ZINC000363865429 1189535429 /nfs/dbraw/zinc/53/54/29/1189535429.db2.gz 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COc1cc(N2CCN(Cn3cc(C)n(-c4cc(C)on4)c3=O)CC2)ncn1 ZINC000185609932 1189590891 /nfs/dbraw/zinc/59/08/91/1189590891.db2.gz WJGBJASYTRMZKY-UHFFFAOYSA-N 0 0 385.428 0.822 10 0 GCAERN CCOC(=O)COc1ccc(CCNC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000363979620 1189601123 /nfs/dbraw/zinc/60/11/23/1189601123.db2.gz YGSGCHPXLJNKNM-KRWDZBQOSA-N 0 0 391.468 0.897 10 0 GCAERN O=C(CN1CCOCC1=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000363996692 1189607280 /nfs/dbraw/zinc/60/72/80/1189607280.db2.gz JIUJZDRFQMDRBV-LBPRGKRZSA-N 0 0 380.832 0.771 10 0 GCAERN O=C(c1ccc(I)c(O)c1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000396811923 1189631022 /nfs/dbraw/zinc/63/10/22/1189631022.db2.gz CTVHSQGESILMEG-MWLCHTKSSA-N 0 0 377.178 0.812 10 0 GCAERN O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)N1CCN2CCOC[C@H]2C1 ZINC000364073423 1189642879 /nfs/dbraw/zinc/64/28/79/1189642879.db2.gz PYLGGTOGCHRTEZ-OAHLLOKOSA-N 0 0 392.431 0.846 10 0 GCAERN Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCOCC4(CC4)C3)C2)n(C)n1 ZINC000584808056 1189676220 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/nfs/dbraw/zinc/03/13/49/1195031349.db2.gz WCOHCRRUMJTFNY-WDEREUQCSA-N 0 0 389.426 0.261 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000436798285 1195036551 /nfs/dbraw/zinc/03/65/51/1195036551.db2.gz SDDFNXPKDOBDHY-FQEVSTJZSA-N 0 0 385.420 0.290 10 0 GCAERN Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N[C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000516328377 1195042921 /nfs/dbraw/zinc/04/29/21/1195042921.db2.gz MLXZKGVKFHUGBB-YJBOKZPZSA-N 0 0 393.447 0.680 10 0 GCAERN COC(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000366653795 1195043129 /nfs/dbraw/zinc/04/31/29/1195043129.db2.gz NQKYCMOWZVAABG-CQSZACIVSA-N 0 0 382.438 0.531 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000516526044 1195063347 /nfs/dbraw/zinc/06/33/47/1195063347.db2.gz GBUUZKXAQQNWPJ-IHRRRGAJSA-N 0 0 381.473 0.740 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCNC[C@@](C)(F)C2)c1 ZINC000516569507 1195068536 /nfs/dbraw/zinc/06/85/36/1195068536.db2.gz RHTBPTXAIKAGON-QGZVFWFLSA-N 0 0 385.461 0.718 10 0 GCAERN COc1ccccc1CCNC(=O)CNC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000437114783 1195071368 /nfs/dbraw/zinc/07/13/68/1195071368.db2.gz KHKKNAXJAYDZJP-UHFFFAOYSA-N 0 0 399.451 0.570 10 0 GCAERN CC=CC[C@H]1NC(=O)N(C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1=O ZINC000516616090 1195077140 /nfs/dbraw/zinc/07/71/40/1195077140.db2.gz KATYIGIVUIUHSM-XYBNCVKDSA-N 0 0 385.486 0.846 10 0 GCAERN COC[C@H](NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc(F)cc1 ZINC000437391713 1195103749 /nfs/dbraw/zinc/10/37/49/1195103749.db2.gz CLVLQGUNWKAHPE-BPUTZDHNSA-N 0 0 398.456 0.665 10 0 GCAERN COC[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)c1ccc(F)cc1 ZINC000437386247 1195105282 /nfs/dbraw/zinc/10/52/82/1195105282.db2.gz OXRNQCIGRPJNDL-CQSZACIVSA-N 0 0 384.433 0.650 10 0 GCAERN COCCN1C(=O)N[C@@H]2CN(C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)CC[C@@H]21 ZINC000516985545 1195120432 /nfs/dbraw/zinc/12/04/32/1195120432.db2.gz SSFIQDXXOHRGFI-IMJJTQAJSA-N 0 0 390.440 0.269 10 0 GCAERN CCC(=O)N[C@H]1CCCN(C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)C1 ZINC000506078463 1195132521 /nfs/dbraw/zinc/13/25/21/1195132521.db2.gz YGLLWVIAAHKQCY-STQMWFEESA-N 0 0 376.461 0.245 10 0 GCAERN COc1ccccc1CCNC(=O)CNC(=O)NCC(=O)NCC(F)(F)F ZINC000437643807 1195134036 /nfs/dbraw/zinc/13/40/36/1195134036.db2.gz TYNAGWOQLIQVID-UHFFFAOYSA-N 0 0 390.362 0.332 10 0 GCAERN CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCC[C@H](NC(=O)CC)C2)cc1 ZINC000517250309 1195165122 /nfs/dbraw/zinc/16/51/22/1195165122.db2.gz RBQLHVKWDNYSEU-INIZCTEOSA-N 0 0 388.468 0.570 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C(=O)OC)C2CCOCC2)c1 ZINC000517413132 1195180896 /nfs/dbraw/zinc/18/08/96/1195180896.db2.gz UYTNIKJKFVEHJW-OAHLLOKOSA-N 0 0 384.454 0.540 10 0 GCAERN COCCN(C(=O)CCc1nc2ccccc2oc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000517478826 1195186359 /nfs/dbraw/zinc/18/63/59/1195186359.db2.gz JKZCMRUWUFQRIW-ZDUSSCGKSA-N 0 0 394.449 0.783 10 0 GCAERN CCc1ncsc1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000438105939 1195186815 /nfs/dbraw/zinc/18/68/15/1195186815.db2.gz RJHOZHOCGYRPGV-UHFFFAOYSA-N 0 0 393.513 0.705 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCOc2ncccc2F)c1 ZINC000438262960 1195202298 /nfs/dbraw/zinc/20/22/98/1195202298.db2.gz SXPKLIMVDPWPAS-UHFFFAOYSA-N 0 0 396.400 0.263 10 0 GCAERN Cc1c(NC(=O)C(=O)N(C)Cc2nnnn2C)cnn1-c1cc(C)ccc1C ZINC000438397836 1195214103 /nfs/dbraw/zinc/21/41/03/1195214103.db2.gz RVEZYEXUWUGNPC-UHFFFAOYSA-N 0 0 382.428 0.918 10 0 GCAERN COc1c(F)cc(CC(=O)N[C@H](CO)Cc2ccccc2)cc1S(N)(=O)=O ZINC000438557048 1195227162 /nfs/dbraw/zinc/22/71/62/1195227162.db2.gz AFMQIVPPDQSCLD-AWEZNQCLSA-N 0 0 396.440 0.744 10 0 GCAERN COC(=O)c1cc(NC(=O)CN2CCSC[C@H]2CCO)cc(C(=O)OC)c1 ZINC000438644516 1195232961 /nfs/dbraw/zinc/23/29/61/1195232961.db2.gz BLMGUEBLXZHIPD-OAHLLOKOSA-N 0 0 396.465 0.998 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000438726429 1195243885 /nfs/dbraw/zinc/24/38/85/1195243885.db2.gz QFTAUHOFGPMXLJ-MRXNPFEDSA-N 0 0 382.420 0.821 10 0 GCAERN C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@@H](C)O1 ZINC000438784917 1195249055 /nfs/dbraw/zinc/24/90/55/1195249055.db2.gz ULRKKNNMCCGPOT-RBSFLKMASA-N 0 0 392.504 1.072 10 0 GCAERN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@@H](C)O1 ZINC000438784914 1195249164 /nfs/dbraw/zinc/24/91/64/1195249164.db2.gz ULRKKNNMCCGPOT-KFWWJZLASA-N 0 0 392.504 1.072 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC23CCOCC3)c1 ZINC000506407434 1195259851 /nfs/dbraw/zinc/25/98/51/1195259851.db2.gz JEJQOFCRRJGSJP-OAHLLOKOSA-N 0 0 395.481 0.999 10 0 GCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000518201161 1195265836 /nfs/dbraw/zinc/26/58/36/1195265836.db2.gz SWNLWGHLBWGGID-TZMCWYRMSA-N 0 0 377.445 0.334 10 0 GCAERN COCCn1cc(S(=O)(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cn1 ZINC000438984083 1195274887 /nfs/dbraw/zinc/27/48/87/1195274887.db2.gz JFJGRQSFUJUBDL-UHFFFAOYSA-N 0 0 399.517 0.878 10 0 GCAERN COc1cccc(-c2cc(NC(=O)C(=O)N[C@H](C)C(=O)NCCF)n(C)n2)c1 ZINC000506489433 1195287025 /nfs/dbraw/zinc/28/70/25/1195287025.db2.gz UTJDEUDFJFMFCS-LLVKDONJSA-N 0 0 391.403 0.625 10 0 GCAERN COC(=O)CN(CCN1CCOCC1)C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000518413649 1195289247 /nfs/dbraw/zinc/28/92/47/1195289247.db2.gz AHGORBOQLDJXRZ-UHFFFAOYSA-N 0 0 380.445 0.155 10 0 GCAERN OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2C[C@@H]3CCCC[C@@H]3C2)[C@H](O)[C@@H]1O ZINC000439154971 1195292231 /nfs/dbraw/zinc/29/22/31/1195292231.db2.gz AOIVMEOKUHXXAX-FKKWROFXSA-N 0 0 375.429 0.064 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2cc(C)n(C)n2)CC1 ZINC000439485333 1195326398 /nfs/dbraw/zinc/32/63/98/1195326398.db2.gz SDBVPBTYJYPPQA-UHFFFAOYSA-N 0 0 392.485 0.991 10 0 GCAERN COCCOCCN1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506604812 1195327961 /nfs/dbraw/zinc/32/79/61/1195327961.db2.gz ZJPZYTCEVBYVHQ-QGZVFWFLSA-N 0 0 379.505 0.505 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000518800987 1195335790 /nfs/dbraw/zinc/33/57/90/1195335790.db2.gz RMJQEXQYABJFOQ-UHFFFAOYSA-N 0 0 380.426 0.302 10 0 GCAERN CC(=O)NCCCN1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506631258 1195336642 /nfs/dbraw/zinc/33/66/42/1195336642.db2.gz DRQNIRIIFKPORZ-KRWDZBQOSA-N 0 0 376.505 0.368 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1 ZINC000439723337 1195345089 /nfs/dbraw/zinc/34/50/89/1195345089.db2.gz XEVKHZYZPVQATQ-UHFFFAOYSA-N 0 0 376.457 0.628 10 0 GCAERN CC[C@@H](C(=O)OC)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506675456 1195348601 /nfs/dbraw/zinc/34/86/01/1195348601.db2.gz JFDMSIHXKCORPV-HOTGVXAUSA-N 0 0 377.489 0.793 10 0 GCAERN CC(C)COCCC(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000518942045 1195350189 /nfs/dbraw/zinc/35/01/89/1195350189.db2.gz RNDURUNLTHPIPG-KRWDZBQOSA-N 0 0 390.546 0.787 10 0 GCAERN Cn1ccc(CNC(=O)C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1 ZINC000519015599 1195359867 /nfs/dbraw/zinc/35/98/67/1195359867.db2.gz IAZVTHIGSDGIRP-UHFFFAOYSA-N 0 0 387.415 0.596 10 0 GCAERN COC[C@@H]1CN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)C[C@H](C)O1 ZINC000439940276 1195366959 /nfs/dbraw/zinc/36/69/59/1195366959.db2.gz HMQRFPGQIYUAJY-BHYGNILZSA-N 0 0 397.516 0.969 10 0 GCAERN Cc1c(NC(=O)C(=O)NCC2(OCCO)CCOCC2)cccc1N(C)C ZINC000506733234 1195372434 /nfs/dbraw/zinc/37/24/34/1195372434.db2.gz RQFRVBOKKNTIBO-UHFFFAOYSA-N 0 0 379.457 0.674 10 0 GCAERN CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440018736 1195374916 /nfs/dbraw/zinc/37/49/16/1195374916.db2.gz JSHFGYKSKJLWNU-IBGZPJMESA-N 0 0 391.424 0.571 10 0 GCAERN CNS(=O)(=O)CCNC(=O)[C@@H](NC(=O)NCc1ccc(F)cc1)C(C)C ZINC000440168587 1195389096 /nfs/dbraw/zinc/38/90/96/1195389096.db2.gz NAYBKXIKDSIORC-AWEZNQCLSA-N 0 0 388.465 0.315 10 0 GCAERN CNS(=O)(=O)CCNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000440176076 1195391548 /nfs/dbraw/zinc/39/15/48/1195391548.db2.gz RQYQEJGNSQJFMV-UHFFFAOYSA-N 0 0 396.513 0.616 10 0 GCAERN CC[C@@H]1C(=O)NCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000519313525 1195392728 /nfs/dbraw/zinc/39/27/28/1195392728.db2.gz HVONRUOGAWMMBR-MRXNPFEDSA-N 0 0 379.482 0.824 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](CO)CC2CCCC2)c1 ZINC000440214696 1195393589 /nfs/dbraw/zinc/39/35/89/1195393589.db2.gz KQSRTKFUTRKACA-CQSZACIVSA-N 0 0 397.497 0.838 10 0 GCAERN C([C@H]1CCCCO1)n1c([C@@H]2CCOC2)nnc1N1CCN2CCOC[C@H]2C1 ZINC000550027118 1195394122 /nfs/dbraw/zinc/39/41/22/1195394122.db2.gz HNSNEYRCISTNQO-BRWVUGGUSA-N 0 0 377.489 0.872 10 0 GCAERN COc1ncc(NC(=O)C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cc1C(N)=O ZINC000440301010 1195405846 /nfs/dbraw/zinc/40/58/46/1195405846.db2.gz BZPUMLGGRIXQHL-LLVKDONJSA-N 0 0 386.408 0.923 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@]2(CCO)CCOC2)c1 ZINC000519487007 1195414764 /nfs/dbraw/zinc/41/47/64/1195414764.db2.gz LHSXVUVIGJJYFT-KRWDZBQOSA-N 0 0 384.454 0.073 10 0 GCAERN CC[C@H](OC)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506843659 1195416554 /nfs/dbraw/zinc/41/65/54/1195416554.db2.gz XKXNNGSMNVEVIN-HOTGVXAUSA-N 0 0 377.489 0.793 10 0 GCAERN CN(C)c1ncc(NC(=O)C(=O)NCC2CCN(CC(F)(F)F)CC2)cn1 ZINC000187550664 1195418954 /nfs/dbraw/zinc/41/89/54/1195418954.db2.gz KKIXECYIHROOKS-UHFFFAOYSA-N 0 0 388.394 0.872 10 0 GCAERN C[C@H]1CN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CCN1CCO ZINC000187681287 1195419993 /nfs/dbraw/zinc/41/99/93/1195419993.db2.gz UWLMEHNQHXBQRM-KRWDZBQOSA-N 0 0 394.947 0.983 10 0 GCAERN Cc1nc2ccccc2n1CCCNC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000550052267 1195425293 /nfs/dbraw/zinc/42/52/93/1195425293.db2.gz YYMQZPORWZJBFL-OAQYLSRUSA-N 0 0 397.479 0.980 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2ncccc2O)c1 ZINC000473636948 1195425642 /nfs/dbraw/zinc/42/56/42/1195425642.db2.gz INOVYCOAASOLDX-UHFFFAOYSA-N 0 0 377.422 0.975 10 0 GCAERN COC(=O)CCOc1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000473655658 1195431455 /nfs/dbraw/zinc/43/14/55/1195431455.db2.gz YZALRTCOILWNCG-OAHLLOKOSA-N 0 0 379.413 0.733 10 0 GCAERN NC(=O)CCSc1ccccc1NC(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000473667543 1195434559 /nfs/dbraw/zinc/43/45/59/1195434559.db2.gz VVUFYRGMNZWHMS-CYBMUJFWSA-N 0 0 380.470 0.759 10 0 GCAERN CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N1CCOCC1 ZINC000041255980 1195439668 /nfs/dbraw/zinc/43/96/68/1195439668.db2.gz YHRLXYCXMVCGCY-INIZCTEOSA-N 0 0 397.497 0.550 10 0 GCAERN Cc1noc(CN2CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)n1 ZINC000101518065 1195440219 /nfs/dbraw/zinc/44/02/19/1195440219.db2.gz QJZVGKZQFZTXOZ-UHFFFAOYSA-N 0 0 382.424 0.822 10 0 GCAERN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000550120045 1195442805 /nfs/dbraw/zinc/44/28/05/1195442805.db2.gz ITBCDZQWOLSCKC-SFHVURJKSA-N 0 0 397.479 0.648 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c1C ZINC000473722993 1195450256 /nfs/dbraw/zinc/45/02/56/1195450256.db2.gz UCJYKXURNLQZIY-ZDUSSCGKSA-N 0 0 384.458 0.008 10 0 GCAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)NCc1nnc2ccccn21 ZINC000550184231 1195456179 /nfs/dbraw/zinc/45/61/79/1195456179.db2.gz ARLMVROCTGHDQA-MRXNPFEDSA-N 0 0 397.435 0.382 10 0 GCAERN Cc1nc(CNC(=O)C(=O)NCc2nnc3ccccn32)nc2ccccc12 ZINC000550193424 1195457237 /nfs/dbraw/zinc/45/72/37/1195457237.db2.gz AQFIRGIVNYFNRR-UHFFFAOYSA-N 0 0 375.392 0.914 10 0 GCAERN CCO[C@@H]1C[C@H](NC(=O)C(=O)NCc2nnc3ccccn32)C12CCOCC2 ZINC000550185524 1195457556 /nfs/dbraw/zinc/45/75/56/1195457556.db2.gz UGLQECQEHZXIMW-UONOGXRCSA-N 0 0 387.440 0.436 10 0 GCAERN CCS(=O)(=O)c1cc(F)ccc1NC(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000473770157 1195458293 /nfs/dbraw/zinc/45/82/93/1195458293.db2.gz ISSZBDNIHHZNJJ-CYBMUJFWSA-N 0 0 387.433 0.724 10 0 GCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C(=O)NCc3nnc4ccccn43)CCO2)n1 ZINC000550195328 1195458681 /nfs/dbraw/zinc/45/86/81/1195458681.db2.gz SDJCHCIIHSAIKX-OAHLLOKOSA-N 0 0 397.439 0.086 10 0 GCAERN Cc1cc(C)c(CNC(=O)C(=O)N2CCCN(c3cccnn3)CC2)c(=O)[nH]1 ZINC000550194850 1195458712 /nfs/dbraw/zinc/45/87/12/1195458712.db2.gz ORQWWDJGUKVIPQ-UHFFFAOYSA-N 0 0 384.440 0.549 10 0 GCAERN Cc1cnn(CC2CCN(C(=O)C(=O)NCc3nnc4ccccn43)CC2)c1 ZINC000550195253 1195458786 /nfs/dbraw/zinc/45/87/86/1195458786.db2.gz PPGOTHIUOOCEBQ-UHFFFAOYSA-N 0 0 381.440 0.789 10 0 GCAERN O=C(NCCc1ccc(-n2cccn2)cc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000550216845 1195463455 /nfs/dbraw/zinc/46/34/55/1195463455.db2.gz SBRHVNSLNGQEMQ-OAHLLOKOSA-N 0 0 379.424 0.254 10 0 GCAERN O=C(NCc1ccccc1Cn1cccn1)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000550254218 1195469833 /nfs/dbraw/zinc/46/98/33/1195469833.db2.gz CBZWXGLMTVGTAK-NRFANRHFSA-N 0 0 395.463 0.676 10 0 GCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000473848209 1195475454 /nfs/dbraw/zinc/47/54/54/1195475454.db2.gz QEIGFJYJUZDOSQ-GWCFXTLKSA-N 0 0 396.473 0.917 10 0 GCAERN CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)cc1)C(C)C ZINC000440486013 1195495522 /nfs/dbraw/zinc/49/55/22/1195495522.db2.gz XSXLIOGIVUHOOP-OAHLLOKOSA-N 0 0 388.424 0.303 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC000487379834 1195525143 /nfs/dbraw/zinc/52/51/43/1195525143.db2.gz TUKBEGDHQHCBDH-NEPJUHHUSA-N 0 0 399.469 0.057 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000487383159 1195550292 /nfs/dbraw/zinc/55/02/92/1195550292.db2.gz XJHQSEHVVVQJBF-OLZOCXBDSA-N 0 0 398.481 0.540 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)[C@H](C)C1 ZINC000440562208 1195562364 /nfs/dbraw/zinc/56/23/64/1195562364.db2.gz CGGIWEKWXSSEEW-LLVKDONJSA-N 0 0 399.444 0.388 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)[C@@H](C)C1 ZINC000440580889 1195564131 /nfs/dbraw/zinc/56/41/31/1195564131.db2.gz RGPZLZUYVIDARH-ZDUSSCGKSA-N 0 0 387.415 1.338 10 0 GCAERN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000519700599 1195564140 /nfs/dbraw/zinc/56/41/40/1195564140.db2.gz BFCZINMGMGVEDU-MCIONIFRSA-N 0 0 383.514 0.578 10 0 GCAERN COc1cccc(CCNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)n1 ZINC000440651764 1195570253 /nfs/dbraw/zinc/57/02/53/1195570253.db2.gz QDAMYFLWXGITCM-UHFFFAOYSA-N 0 0 397.428 0.787 10 0 GCAERN COc1cccc(-c2cc(NC(=O)C(=O)NCCNC(=O)N(C)C)n(C)n2)c1 ZINC000440703045 1195577362 /nfs/dbraw/zinc/57/73/62/1195577362.db2.gz GOKKOKUWOFPSNV-UHFFFAOYSA-N 0 0 388.428 0.422 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc(-c4ncon4)cc3)CC2)[nH]1 ZINC000440757839 1195579854 /nfs/dbraw/zinc/57/98/54/1195579854.db2.gz UQUIJKGFEYYSBT-UHFFFAOYSA-N 0 0 396.411 0.446 10 0 GCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)cc1C ZINC000440758615 1195580003 /nfs/dbraw/zinc/58/00/03/1195580003.db2.gz RLXQUUQIDNKELY-UHFFFAOYSA-N 0 0 384.440 0.907 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cccc(OCCF)c3)CC2)[nH]1 ZINC000440749991 1195580450 /nfs/dbraw/zinc/58/04/50/1195580450.db2.gz STAPYTLISAPXPB-UHFFFAOYSA-N 0 0 390.419 0.744 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cnn(-c4ccccc4)c3)CC2)[nH]1 ZINC000440746502 1195580543 /nfs/dbraw/zinc/58/05/43/1195580543.db2.gz JLBXPRVUWFPPMS-UHFFFAOYSA-N 0 0 394.439 0.582 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccn(-c4ccccc4)n3)CC2)[nH]1 ZINC000440752814 1195580668 /nfs/dbraw/zinc/58/06/68/1195580668.db2.gz FTQPWGQINFGHLP-UHFFFAOYSA-N 0 0 394.439 0.582 10 0 GCAERN CCOCc1cccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)c1 ZINC000440755987 1195580947 /nfs/dbraw/zinc/58/09/47/1195580947.db2.gz FHCJZNXJBRJYBM-UHFFFAOYSA-N 0 0 386.456 0.933 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCCO4)CC2)[nH]1 ZINC000440766916 1195581076 /nfs/dbraw/zinc/58/10/76/1195581076.db2.gz ZLDNHLRBGGAGOU-UHFFFAOYSA-N 0 0 386.412 0.167 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cc4c(cc3C)OCO4)CC2)[nH]1 ZINC000440766183 1195582745 /nfs/dbraw/zinc/58/27/45/1195582745.db2.gz XTLNREMODRHQOP-UHFFFAOYSA-N 0 0 386.412 0.433 10 0 GCAERN CCO[C@@H]1C[C@@](NC(=O)CN2C(=O)NC(CC)(CC)C2=O)(C(=O)OC)C1(C)C ZINC000440864546 1195586258 /nfs/dbraw/zinc/58/62/58/1195586258.db2.gz FPSKWGASYAIHAJ-CWTRNNRKSA-N 0 0 397.472 0.960 10 0 GCAERN CCO[C@H]1C[C@](NC(=O)CN2C(=O)NC(CC)(CC)C2=O)(C(=O)OC)C1(C)C ZINC000440864545 1195586382 /nfs/dbraw/zinc/58/63/82/1195586382.db2.gz FPSKWGASYAIHAJ-BUXKBTBVSA-N 0 0 397.472 0.960 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)c3cc(C)c(C)c(S(N)(=O)=O)c3)CC2)[nH]1 ZINC000469561591 1195586894 /nfs/dbraw/zinc/58/68/94/1195586894.db2.gz DJRGRXXBPATUPK-UHFFFAOYSA-N 0 0 392.485 0.335 10 0 GCAERN COc1c(F)cc(CC(=O)N[C@@H](C)CO[C@H]2CCOC2)cc1S(N)(=O)=O ZINC000440873737 1195587925 /nfs/dbraw/zinc/58/79/25/1195587925.db2.gz KDNQFXJHDXLUDY-JQWIXIFHSA-N 0 0 390.433 0.334 10 0 GCAERN CCO[C@H]1C[C@@](NC(=O)CSc2nnnn2C2CC2)(C(=O)OC)C1(C)C ZINC000440883537 1195588245 /nfs/dbraw/zinc/58/82/45/1195588245.db2.gz XZXQRVDRWXYRIK-MEDUHNTESA-N 0 0 383.474 0.963 10 0 GCAERN CC(=O)N1CCN(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)[C@@H](C)C1 ZINC000520244176 1195610085 /nfs/dbraw/zinc/61/00/85/1195610085.db2.gz JVKBWDOBDHFPJJ-HOCLYGCPSA-N 0 0 394.497 0.712 10 0 GCAERN CC(C)(C)NS(=O)(=O)CCNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000520264918 1195614207 /nfs/dbraw/zinc/61/42/07/1195614207.db2.gz CPGVOULOVHTZIN-CQSZACIVSA-N 0 0 382.486 0.809 10 0 GCAERN CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N1CC(n2ccnn2)C1 ZINC000441309634 1195621599 /nfs/dbraw/zinc/62/15/99/1195621599.db2.gz IJBOJAPDCKYBJE-UHFFFAOYSA-N 0 0 379.323 0.755 10 0 GCAERN CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1cc(C)nn1-c1ccccc1C ZINC000441325971 1195623606 /nfs/dbraw/zinc/62/36/06/1195623606.db2.gz UOCKLESKHGFIIW-LJQANCHMSA-N 0 0 388.424 0.858 10 0 GCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)C(=O)Nc1ccccc1F ZINC000112755733 1195642830 /nfs/dbraw/zinc/64/28/30/1195642830.db2.gz DNMDGJFCRHJHAK-UHFFFAOYSA-N 0 0 376.432 0.825 10 0 GCAERN COc1ccc(CNC(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c(OC)c1 ZINC000550365943 1195645085 /nfs/dbraw/zinc/64/50/85/1195645085.db2.gz AQOPVWHJXIMPFK-LJQANCHMSA-N 0 0 375.425 0.449 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@H](OC)c2ccccc2)CC1 ZINC000550373645 1195649220 /nfs/dbraw/zinc/64/92/20/1195649220.db2.gz BOQCSVQMRPIYSL-INIZCTEOSA-N 0 0 391.468 0.586 10 0 GCAERN Cc1c(C(=O)N2CCS(=O)(=O)[C@H](C)C2)cnn1CCO[C@H]1CCCCO1 ZINC000328894407 1195675209 /nfs/dbraw/zinc/67/52/09/1195675209.db2.gz VQLXZMJPQQDZOJ-CJNGLKHVSA-N 0 0 385.486 0.994 10 0 GCAERN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C)[C@H](C)CO)cc2)CC1 ZINC000330464683 1195689165 /nfs/dbraw/zinc/68/91/65/1195689165.db2.gz DZMNHYVMDKFZJC-ZIAGYGMSSA-N 0 0 397.497 0.286 10 0 GCAERN CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCC(Oc2cnccn2)CC1 ZINC000520444297 1195712168 /nfs/dbraw/zinc/71/21/68/1195712168.db2.gz UWVLZAXZESDVSP-AWEZNQCLSA-N 0 0 397.501 0.844 10 0 GCAERN CC(=O)N[C@](C)(C(=O)N1CC[C@H](C)[C@@H](O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000331214662 1195723899 /nfs/dbraw/zinc/72/38/99/1195723899.db2.gz BVDFAORGNZZDFR-IWEFOYFVSA-N 0 0 382.482 0.671 10 0 GCAERN CC(=O)N[C@](C)(C(=O)N1CC[C@@H](C)[C@H](O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000331214663 1195724293 /nfs/dbraw/zinc/72/42/93/1195724293.db2.gz BVDFAORGNZZDFR-NJAPINKUSA-N 0 0 382.482 0.671 10 0 GCAERN CC(=O)N1CCN(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)[C@H](C)C1 ZINC000536331358 1195735157 /nfs/dbraw/zinc/73/51/57/1195735157.db2.gz OXQXEXKRIRSPFV-GFCCVEGCSA-N 0 0 375.429 0.376 10 0 GCAERN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188715480 1195737229 /nfs/dbraw/zinc/73/72/29/1195737229.db2.gz FRSKZDGEZSVZTF-CXAGYDPISA-N 0 0 376.436 0.429 10 0 GCAERN COc1cc(OC)c(C[C@H](C)NC(=O)NC[C@@H](O)Cn2ccnn2)c(OC)c1 ZINC000458971240 1195739598 /nfs/dbraw/zinc/73/95/98/1195739598.db2.gz TZONIVBUDILGGT-QWHCGFSZSA-N 0 0 393.444 0.595 10 0 GCAERN C[C@](O)(CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)C(F)(F)F ZINC000536345698 1195742785 /nfs/dbraw/zinc/74/27/85/1195742785.db2.gz LPAZWVUJMJZXMY-HNNXBMFYSA-N 0 0 375.347 0.891 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)n(Cc2ccccc2)n1 ZINC000190052264 1195756403 /nfs/dbraw/zinc/75/64/03/1195756403.db2.gz OAICVMIUJSYYCU-INIZCTEOSA-N 0 0 385.468 0.703 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(C3CCCCC3)nn2C)CCN1CCO ZINC000190047823 1195756659 /nfs/dbraw/zinc/75/66/59/1195756659.db2.gz RZDZXADNCJEMIV-CQSZACIVSA-N 0 0 377.489 0.931 10 0 GCAERN C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000025861747 1195761079 /nfs/dbraw/zinc/76/10/79/1195761079.db2.gz OHOAMMQGKWDCBE-KRWDZBQOSA-N 0 0 386.496 0.441 10 0 GCAERN CNC(=O)C[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000459070062 1195763612 /nfs/dbraw/zinc/76/36/12/1195763612.db2.gz OCJCCFXFZBVEIP-GFCCVEGCSA-N 0 0 380.470 0.297 10 0 GCAERN C[C@H](N1CCN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)CC1)C(F)(F)F ZINC000181355860 1195775166 /nfs/dbraw/zinc/77/51/66/1195775166.db2.gz WFDFEKPCLHIWEH-NSHDSACASA-N 0 0 396.435 0.984 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000441640503 1195804822 /nfs/dbraw/zinc/80/48/22/1195804822.db2.gz AYRBJKOQXYLWOC-UHFFFAOYSA-N 0 0 390.440 0.679 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000441653855 1195809400 /nfs/dbraw/zinc/80/94/00/1195809400.db2.gz TXUKMTPRBHAJCF-UHFFFAOYSA-N 0 0 375.425 0.924 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2C[C@H](C)Oc3ccccc32)CC1 ZINC000441657058 1195809956 /nfs/dbraw/zinc/80/99/56/1195809956.db2.gz QJELGLVBNYBRBW-AWEZNQCLSA-N 0 0 389.452 0.896 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cc3c(cc2C)OCO3)CC1 ZINC000441657308 1195811087 /nfs/dbraw/zinc/81/10/87/1195811087.db2.gz ROBIAXUTBILGMB-UHFFFAOYSA-N 0 0 391.424 0.758 10 0 GCAERN COC(=O)c1ccsc1NC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000441666069 1195811629 /nfs/dbraw/zinc/81/16/29/1195811629.db2.gz JAVVMPMDQVDPCV-UHFFFAOYSA-N 0 0 397.453 0.569 10 0 GCAERN CCOc1ncccc1NC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000441689834 1195819840 /nfs/dbraw/zinc/81/98/40/1195819840.db2.gz PMRMOIOGIJORLI-UHFFFAOYSA-N 0 0 378.429 0.515 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000614647763 1195821107 /nfs/dbraw/zinc/82/11/07/1195821107.db2.gz CTMTWKLDAGUFDB-UHFFFAOYSA-N 0 0 397.497 0.362 10 0 GCAERN CNC(=O)C1(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000520686180 1195822767 /nfs/dbraw/zinc/82/27/67/1195822767.db2.gz UNHSFGPMFWPPFP-UHFFFAOYSA-N 0 0 379.844 0.916 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000487397966 1195830063 /nfs/dbraw/zinc/83/00/63/1195830063.db2.gz VKDWWSQXYQNGTD-WDEREUQCSA-N 0 0 386.426 0.208 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)NCCNC(=O)c3ccn[nH]3)c2)n1 ZINC000441749358 1195836625 /nfs/dbraw/zinc/83/66/25/1195836625.db2.gz FRKKVULMAQVXFG-UHFFFAOYSA-N 0 0 383.416 0.608 10 0 GCAERN COC(=O)CCCOc1ccc(CNC(=O)N2CC[C@H](NC(N)=O)C2)cc1 ZINC000536480495 1195836810 /nfs/dbraw/zinc/83/68/10/1195836810.db2.gz HUSVGKKBOLAIIW-AWEZNQCLSA-N 0 0 378.429 0.971 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NC[C@@H]2CC[C@H](C)O2)CC1 ZINC000459166202 1195837359 /nfs/dbraw/zinc/83/73/59/1195837359.db2.gz MPGGUHKKTPELMH-GJZGRUSLSA-N 0 0 396.513 0.994 10 0 GCAERN COC(=O)c1ccc(OC[C@H](O)CS(=O)(=O)Cc2cnc(C)nc2)cc1 ZINC000507820241 1195853114 /nfs/dbraw/zinc/85/31/14/1195853114.db2.gz YLUZMIGZDHUZEC-HNNXBMFYSA-N 0 0 380.422 0.926 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(F)c1C ZINC000487401496 1195854974 /nfs/dbraw/zinc/85/49/74/1195854974.db2.gz PKFYOIPFIPKVMI-GHMZBOCLSA-N 0 0 390.433 0.877 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ZINC000452610391 1197070692 /nfs/dbraw/zinc/07/06/92/1197070692.db2.gz FFZABIVPZSQQJP-PWSUYJOCSA-N 0 0 381.458 0.527 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cc(C)ccc2S(N)(=O)=O)CC12COC2 ZINC000452612480 1197070784 /nfs/dbraw/zinc/07/07/84/1197070784.db2.gz KSWPRPUFDFOJDH-ZDUSSCGKSA-N 0 0 382.438 0.294 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC000531412244 1197072514 /nfs/dbraw/zinc/07/25/14/1197072514.db2.gz ZMFVJXRFBJZNQR-CQSZACIVSA-N 0 0 391.497 0.781 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)CC12COC2 ZINC000452617729 1197073134 /nfs/dbraw/zinc/07/31/34/1197073134.db2.gz UYCCIBDEWVWIHY-OAHLLOKOSA-N 0 0 385.424 0.687 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)OC)c(F)c2)C1 ZINC000475679316 1197074670 /nfs/dbraw/zinc/07/46/70/1197074670.db2.gz DUNJGJXRBAJVTK-LLVKDONJSA-N 0 0 380.376 0.471 10 0 GCAERN CCOC(=O)COCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000452696765 1197076648 /nfs/dbraw/zinc/07/66/48/1197076648.db2.gz 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CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(C)cnc2OCC)CC12COC2 ZINC000453810015 1197140343 /nfs/dbraw/zinc/14/03/43/1197140343.db2.gz ZMZXQBFBLSXEKR-CYBMUJFWSA-N 0 0 391.424 0.765 10 0 GCAERN CN(Cc1nnnn1C)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000532322613 1197144040 /nfs/dbraw/zinc/14/40/40/1197144040.db2.gz FPOXNWUOLKAWEE-UHFFFAOYSA-N 0 0 398.514 0.647 10 0 GCAERN CN(Cc1nnnn1C)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000532322853 1197144093 /nfs/dbraw/zinc/14/40/93/1197144093.db2.gz SOPIUWXQPGPGGW-UHFFFAOYSA-N 0 0 392.485 0.586 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](CO)C2)C1 ZINC000363927216 1197150524 /nfs/dbraw/zinc/15/05/24/1197150524.db2.gz LJOUJYCFBHOKHL-LSDHHAIUSA-N 0 0 385.486 0.923 10 0 GCAERN COC(=O)CCN(C)S(=O)(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000360035848 1197156079 /nfs/dbraw/zinc/15/60/79/1197156079.db2.gz KWJOJEZLDBUPIA-CQSZACIVSA-N 0 0 387.433 0.603 10 0 GCAERN CCS(=O)(=O)N(C)C1CCN([C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173363776 1197176694 /nfs/dbraw/zinc/17/66/94/1197176694.db2.gz WURYARJAJRYDKR-HNNXBMFYSA-N 0 0 383.518 0.580 10 0 GCAERN NC(=O)Cn1cc(C(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)nn1 ZINC000173317689 1197176784 /nfs/dbraw/zinc/17/67/84/1197176784.db2.gz UGEVVACZZRAIAS-LLVKDONJSA-N 0 0 378.383 0.436 10 0 GCAERN CCN(C1CCN([C@H]2CCN(c3cc(C)nn3C)C2=O)CC1)S(C)(=O)=O ZINC000173364306 1197176855 /nfs/dbraw/zinc/17/68/55/1197176855.db2.gz GFRNBTLSBIJIQD-HNNXBMFYSA-N 0 0 383.518 0.580 10 0 GCAERN Cc1cc(N2CC[C@H](N3CCN(c4ncnc5c4cnn5C)CC3)C2=O)n(C)n1 ZINC000173470915 1197177070 /nfs/dbraw/zinc/17/70/70/1197177070.db2.gz BQESMCHANRJUEJ-HNNXBMFYSA-N 0 0 395.471 0.333 10 0 GCAERN CCN1C[C@H](NC(=O)C(=O)Nc2cc(-c3cccc(OC)c3)nn2C)CC1=O ZINC000453921712 1197179183 /nfs/dbraw/zinc/17/91/83/1197179183.db2.gz GRUHGQPRFPRCCW-CYBMUJFWSA-N 0 0 385.424 0.771 10 0 GCAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]3CN3CCOCC3)cc2[nH]1 ZINC000173897072 1197179189 /nfs/dbraw/zinc/17/91/89/1197179189.db2.gz KXHHOIXWOMIRGD-CYBMUJFWSA-N 0 0 380.470 0.732 10 0 GCAERN Cc1cc(N2CC[C@@H](NC(=O)Cn3ccc(=O)c4ccccc43)C2=O)n(C)n1 ZINC000174120134 1197180195 /nfs/dbraw/zinc/18/01/95/1197180195.db2.gz GJGFEVJYQVZPJS-OAHLLOKOSA-N 0 0 379.420 0.965 10 0 GCAERN Cn1cc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(-n4nccn4)cc3)C2)cn1 ZINC000175230256 1197183692 /nfs/dbraw/zinc/18/36/92/1197183692.db2.gz HMIDCDWLVYFYNS-HNNXBMFYSA-N 0 0 394.439 0.725 10 0 GCAERN COC[C@@H](NC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1)c1ccc(F)cc1 ZINC000475713179 1197185063 /nfs/dbraw/zinc/18/50/63/1197185063.db2.gz IFOWMRWUHIHBJN-CQSZACIVSA-N 0 0 390.371 0.771 10 0 GCAERN CN(CCc1ccccn1)C(=O)CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000176303068 1197186465 /nfs/dbraw/zinc/18/64/65/1197186465.db2.gz BDQCICZSJBEZGO-KRWDZBQOSA-N 0 0 399.499 0.784 10 0 GCAERN Cn1cc(N2CCC[C@H](NC(=O)c3ccc(CNS(C)(=O)=O)o3)C2)cn1 ZINC000176666021 1197188208 /nfs/dbraw/zinc/18/82/08/1197188208.db2.gz HMZUMMGPTLFEJR-LBPRGKRZSA-N 0 0 381.458 0.461 10 0 GCAERN CN1CCN(C(=O)CCNC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000177226924 1197189006 /nfs/dbraw/zinc/18/90/06/1197189006.db2.gz UUJXIQPPNGQOTB-CQSZACIVSA-N 0 0 394.907 0.777 10 0 GCAERN Cc1ccn(-c2ccccc2NC(=O)C(=O)N2CCc3nn(C)c(=O)cc3C2)n1 ZINC000177647574 1197191457 /nfs/dbraw/zinc/19/14/57/1197191457.db2.gz VVEHHUIGHQNEEZ-UHFFFAOYSA-N 0 0 392.419 0.798 10 0 GCAERN Cn1cnn(CC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1=O ZINC000179430549 1197198097 /nfs/dbraw/zinc/19/80/97/1197198097.db2.gz MDMSPTFAEZLJMR-UHFFFAOYSA-N 0 0 384.362 0.781 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cn1C ZINC000181275349 1197203670 /nfs/dbraw/zinc/20/36/70/1197203670.db2.gz FCKZVCVONAEMTN-CYBMUJFWSA-N 0 0 394.501 0.408 10 0 GCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)C1 ZINC000181470039 1197204774 /nfs/dbraw/zinc/20/47/74/1197204774.db2.gz MEIMMQBKCJEWHM-GOSISDBHSA-N 0 0 394.541 0.344 10 0 GCAERN O=C(NCCNC(=O)c1ccn[nH]1)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000181697083 1197205206 /nfs/dbraw/zinc/20/52/06/1197205206.db2.gz CNCQWYIMVCRISC-LLVKDONJSA-N 0 0 378.383 0.996 10 0 GCAERN Cc1cc(C)cc([C@H]2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)c1 ZINC000183254557 1197209291 /nfs/dbraw/zinc/20/92/91/1197209291.db2.gz PMKNWDCSYPTGHE-AWEZNQCLSA-N 0 0 377.466 0.879 10 0 GCAERN COCCCNC(=O)[C@@H](C)N1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000184997268 1197213168 /nfs/dbraw/zinc/21/31/68/1197213168.db2.gz XXKSLCDWIHZLKC-OAHLLOKOSA-N 0 0 390.488 0.734 10 0 GCAERN O=C(CN1CCN(c2ccccn2)CC1)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000185024508 1197213207 /nfs/dbraw/zinc/21/32/07/1197213207.db2.gz MGXOKBRAURAPIP-GOSISDBHSA-N 0 0 394.479 0.910 10 0 GCAERN CC(C)Cn1c(N)c(C(=O)CN2CCC[C@H](C)[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000263071724 1197224292 /nfs/dbraw/zinc/22/42/92/1197224292.db2.gz POJKXBCKQQIUKZ-SMDDNHRTSA-N 0 0 380.445 0.153 10 0 GCAERN Cn1cc(C=CC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)c(=O)n(C)c1=O ZINC000186248107 1197227203 /nfs/dbraw/zinc/22/72/03/1197227203.db2.gz JRTBNLTWOBPXDU-AATRIKPKSA-N 0 0 384.440 0.047 10 0 GCAERN CC(C)[C@@H](C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)N1CCCS1(=O)=O ZINC000188083854 1197231940 /nfs/dbraw/zinc/23/19/40/1197231940.db2.gz XYEXNIKMZARABS-KRWDZBQOSA-N 0 0 395.529 0.996 10 0 GCAERN C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)C1CCN(CC(F)(F)F)CC1 ZINC000189654593 1197238020 /nfs/dbraw/zinc/23/80/20/1197238020.db2.gz ZXFYBFVYAYDTCB-LLVKDONJSA-N 0 0 376.379 0.326 10 0 GCAERN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CC[NH+]4CCC3CC4)cc21 ZINC000189782711 1197238692 /nfs/dbraw/zinc/23/86/92/1197238692.db2.gz AXMQTPSTAMMYAT-UHFFFAOYSA-N 0 0 383.452 0.632 10 0 GCAERN Cn1c2ncn(CC(=O)N3CC4(CCCC4)OC(C)(C)C3)c2c(=O)n(C)c1=O ZINC000189940187 1197239130 /nfs/dbraw/zinc/23/91/30/1197239130.db2.gz DDJSMTJAGNARDE-UHFFFAOYSA-N 0 0 389.456 0.384 10 0 GCAERN Cc1cccc2c1OCC[C@H]2NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000190166837 1197240238 /nfs/dbraw/zinc/24/02/38/1197240238.db2.gz XUGSLLLGEOVWKG-CYBMUJFWSA-N 0 0 383.408 0.382 10 0 GCAERN CCc1nc(C2CCN(CC(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)CC2)n[nH]1 ZINC000190713758 1197241533 /nfs/dbraw/zinc/24/15/33/1197241533.db2.gz LZKDWFJHPLGVIW-CQSZACIVSA-N 0 0 383.518 0.582 10 0 GCAERN COCCN1CCCN(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1=O ZINC000190773237 1197242002 /nfs/dbraw/zinc/24/20/02/1197242002.db2.gz QSRRSDHAVWLXMB-GOSISDBHSA-N 0 0 388.512 0.810 10 0 GCAERN CCc1nnc(C2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)[nH]1 ZINC000191493317 1197243161 /nfs/dbraw/zinc/24/31/61/1197243161.db2.gz GFFYFPKHWMJRCV-UHFFFAOYSA-N 0 0 397.439 0.333 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000192527073 1197246883 /nfs/dbraw/zinc/24/68/83/1197246883.db2.gz KEUYBDNMMZRXSF-CYBMUJFWSA-N 0 0 378.388 0.932 10 0 GCAERN Cn1c(=O)c2cc(NC(=O)[C@@H]3CCCN3c3nccs3)cnc2n(C)c1=O ZINC000192542256 1197247253 /nfs/dbraw/zinc/24/72/53/1197247253.db2.gz RVVMAFDKURVHMW-LBPRGKRZSA-N 0 0 386.437 0.696 10 0 GCAERN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(c2cccnn2)CC1 ZINC000170649998 1197254075 /nfs/dbraw/zinc/25/40/75/1197254075.db2.gz MSOLUVLWVWZUQW-MRXNPFEDSA-N 0 0 398.467 0.565 10 0 GCAERN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2cccnn2)CC1 ZINC000170631891 1197254242 /nfs/dbraw/zinc/25/42/42/1197254242.db2.gz TUGJGDAYUAXHSF-UHFFFAOYSA-N 0 0 380.408 0.219 10 0 GCAERN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2cccnn2)CC1 ZINC000170649304 1197254743 /nfs/dbraw/zinc/25/47/43/1197254743.db2.gz WYKRHIKERUUTJB-INIZCTEOSA-N 0 0 382.472 0.126 10 0 GCAERN O=C(CN1CCC[C@H](c2nncn2C2CC2)C1)N1CCN(c2cnccn2)CC1 ZINC000193439533 1197255422 /nfs/dbraw/zinc/25/54/22/1197255422.db2.gz MBGTWXRPYAHDLT-INIZCTEOSA-N 0 0 396.499 0.931 10 0 GCAERN O=C(CN1CCC[C@H]1Cc1cccc(F)c1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000052011479 1197278658 /nfs/dbraw/zinc/27/86/58/1197278658.db2.gz SFZKQCLNEYFZTE-CVEARBPZSA-N 0 0 397.472 0.846 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000909673464 1197284092 /nfs/dbraw/zinc/28/40/92/1197284092.db2.gz XXFDZAZWNLVESR-MRXNPFEDSA-N 0 0 395.481 0.183 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCC(=O)N(C)CCOc2cc(C)cc(C)c2)C1 ZINC000909674667 1197287012 /nfs/dbraw/zinc/28/70/12/1197287012.db2.gz HKOCVJJEFWTULG-GOSISDBHSA-N 0 0 392.452 0.931 10 0 GCAERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000171008873 1197309724 /nfs/dbraw/zinc/30/97/24/1197309724.db2.gz ALVBFCYCIQLYHS-ZFWWWQNUSA-N 0 0 397.435 0.422 10 0 GCAERN CCO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC ZINC000454027840 1197315146 /nfs/dbraw/zinc/31/51/46/1197315146.db2.gz MLAKYVSYRLYWGO-GDBMZVCRSA-N 0 0 375.425 0.844 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H]2C[C@@H](OC)C23CCC3)c1 ZINC000454036596 1197317162 /nfs/dbraw/zinc/31/71/62/1197317162.db2.gz XCXFHBGJIMUIJG-HUUCEWRRSA-N 0 0 395.481 0.949 10 0 GCAERN CN(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)C1 ZINC000454056001 1197317852 /nfs/dbraw/zinc/31/78/52/1197317852.db2.gz CRFQTRYVXSFVNG-AWEZNQCLSA-N 0 0 387.440 0.624 10 0 GCAERN CN(CCN1CCOCC1)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000114463992 1197336550 /nfs/dbraw/zinc/33/65/50/1197336550.db2.gz ROKLYNQBZCQQML-UHFFFAOYSA-N 0 0 388.512 0.671 10 0 GCAERN C[C@H](NC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)[C@H](C)N1CCOCC1 ZINC000332810787 1197344441 /nfs/dbraw/zinc/34/44/41/1197344441.db2.gz XBULAAVKMCUFQU-YESZJQIVSA-N 0 0 382.505 0.376 10 0 GCAERN CN1C[C@@H](NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CCC1=O ZINC000332858175 1197345325 /nfs/dbraw/zinc/34/53/25/1197345325.db2.gz JKPTXKSGKPFFKG-KPZWWZAWSA-N 0 0 384.436 0.199 10 0 GCAERN O=C(CN1CCO[C@@H](C2CCCCC2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332887130 1197346151 /nfs/dbraw/zinc/34/61/51/1197346151.db2.gz BROIVKLBXDNVCV-HUUCEWRRSA-N 0 0 387.502 0.280 10 0 GCAERN CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)CCO1 ZINC000332891558 1197346211 /nfs/dbraw/zinc/34/62/11/1197346211.db2.gz KDBSTFUBCUEULX-BDXSIMOUSA-N 0 0 387.484 0.978 10 0 GCAERN Cn1cccc(NC(=O)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c1=O ZINC000122775939 1197349998 /nfs/dbraw/zinc/34/99/98/1197349998.db2.gz PCKOQPJZLHYAPT-NSHDSACASA-N 0 0 375.816 0.767 10 0 GCAERN COc1cccc(-c2cc(NC(=O)C(=O)N3CCC(C(N)=O)CC3)n(C)n2)c1 ZINC000536514230 1197350273 /nfs/dbraw/zinc/35/02/73/1197350273.db2.gz KQTUKKPXNFQLLA-UHFFFAOYSA-N 0 0 385.424 0.758 10 0 GCAERN CN1CCN([C@H](CNC(=O)N2CC[C@H](NC(N)=O)C2)c2cccs2)CC1 ZINC000536519032 1197352073 /nfs/dbraw/zinc/35/20/73/1197352073.db2.gz ZLFQHQLSQQEPQD-UONOGXRCSA-N 0 0 380.518 0.489 10 0 GCAERN CCn1nncc1CN1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000459292038 1197361680 /nfs/dbraw/zinc/36/16/80/1197361680.db2.gz JBHQCUNVUSIDOA-UHFFFAOYSA-N 0 0 393.498 0.809 10 0 GCAERN C[C@@H]1NC(=O)N(CCN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C1=O ZINC000459311198 1197365105 /nfs/dbraw/zinc/36/51/05/1197365105.db2.gz VLVBVZJQJZBMOF-ZDUSSCGKSA-N 0 0 394.859 0.803 10 0 GCAERN O=C(CN1CCN(C(=O)N[C@@H]2CCCc3occc32)CC1)N1CCOCC1 ZINC000129440012 1197366958 /nfs/dbraw/zinc/36/69/58/1197366958.db2.gz NYFUQKCORKAKDV-MRXNPFEDSA-N 0 0 376.457 0.843 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2ccc(C(=O)NC)cc2)CC12COC2 ZINC000454242003 1197374738 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O=C(CNC(=O)c1ccc(F)cc1F)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000673855585 1199961493 /nfs/dbraw/zinc/96/14/93/1199961493.db2.gz YGKPXPQDVMBASR-HNNXBMFYSA-N 0 0 381.379 0.591 10 0 GCAERN CNS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000673858567 1199961513 /nfs/dbraw/zinc/96/15/13/1199961513.db2.gz KIKQTOLOZWVSCR-OAHLLOKOSA-N 0 0 396.469 0.496 10 0 GCAERN Cc1c(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cccc1-n1cnnn1 ZINC000673857372 1199961625 /nfs/dbraw/zinc/96/16/25/1199961625.db2.gz HWKOOCSYUPNNBY-HNNXBMFYSA-N 0 0 385.428 0.872 10 0 GCAERN CNC(=O)[C@@H]1CCCN(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000673859126 1199962108 /nfs/dbraw/zinc/96/21/08/1199962108.db2.gz JRNXTERQZOTZKR-CYBMUJFWSA-N 0 0 376.461 0.932 10 0 GCAERN Cc1nnnn1-c1cccc(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000673858126 1199962145 /nfs/dbraw/zinc/96/21/45/1199962145.db2.gz KANDZWHTPYWUJZ-INIZCTEOSA-N 0 0 385.428 0.872 10 0 GCAERN CC(C)C(=O)N[C@H]1CCCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000673872382 1199963461 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381.498 0.751 10 0 GCAERN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000673910491 1199975717 /nfs/dbraw/zinc/97/57/17/1199975717.db2.gz CMHUSDOIKGGIIF-HNNXBMFYSA-N 0 0 392.378 0.950 10 0 GCAERN CC(=O)N1CCc2ccc(S(=O)(=O)NC[C@H]3COCCN3C)cc2CC1 ZINC000625515847 1199991155 /nfs/dbraw/zinc/99/11/55/1199991155.db2.gz KBJQDRYCJWONGT-KRWDZBQOSA-N 0 0 381.498 0.243 10 0 GCAERN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(C2CC2)C(=O)C1 ZINC000673971087 1200038123 /nfs/dbraw/zinc/03/81/23/1200038123.db2.gz JFVUNUHLLIZGFO-UHFFFAOYSA-N 0 0 377.445 0.257 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000625573503 1200052408 /nfs/dbraw/zinc/05/24/08/1200052408.db2.gz MIKXQGSJNGRNSG-OLZOCXBDSA-N 0 0 382.505 0.702 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000625573509 1200053173 /nfs/dbraw/zinc/05/31/73/1200053173.db2.gz MIKXQGSJNGRNSG-STQMWFEESA-N 0 0 382.505 0.702 10 0 GCAERN 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C[C@@H](NC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)c1nncn1C ZINC000171408945 1200213139 /nfs/dbraw/zinc/21/31/39/1200213139.db2.gz RELYZGBFHJXVIN-KGLIPLIRSA-N 0 0 377.493 0.651 10 0 GCAERN CCOCCN(C)C(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000376946099 1200226908 /nfs/dbraw/zinc/22/69/08/1200226908.db2.gz QBQYSVMORRMHGV-HUUCEWRRSA-N 0 0 389.452 0.517 10 0 GCAERN COC[C@@](C)(CO)NC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000674384001 1200231176 /nfs/dbraw/zinc/23/11/76/1200231176.db2.gz PTQUNIJPDAVYED-MRXNPFEDSA-N 0 0 382.442 0.795 10 0 GCAERN CCN1CCN(C(=O)Cc2ccc(NC(=O)N[C@](C)(CO)COC)cc2)CC1 ZINC000674383969 1200231954 /nfs/dbraw/zinc/23/19/54/1200231954.db2.gz KBDJITRGPFHMAL-HXUWFJFHSA-N 0 0 392.500 0.912 10 0 GCAERN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C)CCN1CCCS1(=O)=O ZINC000674463938 1200242396 /nfs/dbraw/zinc/24/23/96/1200242396.db2.gz UXTLPBWBWBXMID-KRWDZBQOSA-N 0 0 381.498 0.270 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000674454387 1200243711 /nfs/dbraw/zinc/24/37/11/1200243711.db2.gz UXFYCPINVQDJMI-SJCJKPOMSA-N 0 0 394.453 0.045 10 0 GCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1 ZINC000674639488 1200292427 /nfs/dbraw/zinc/29/24/27/1200292427.db2.gz BLMWXEVFJPWEGH-VEVIJQCQSA-N 0 0 379.461 0.407 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2cn[nH]n2)cc1 ZINC000674755452 1200314515 /nfs/dbraw/zinc/31/45/15/1200314515.db2.gz RLDUNPGRTFXVRB-INIZCTEOSA-N 0 0 391.453 0.867 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000674775335 1200316024 /nfs/dbraw/zinc/31/60/24/1200316024.db2.gz PMUDDODFECBMLQ-ZDUSSCGKSA-N 0 0 385.465 0.524 10 0 GCAERN O=C(N[C@H]1CCN(c2ncccc2F)C1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000674789567 1200320183 /nfs/dbraw/zinc/32/01/83/1200320183.db2.gz WMYDSRBBBDKIJO-BBRMVZONSA-N 0 0 391.447 0.879 10 0 GCAERN COCCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(OC)ccc2F)CC1 ZINC000674885817 1200330122 /nfs/dbraw/zinc/33/01/22/1200330122.db2.gz VLSTVSUTTLHMBL-UHFFFAOYSA-N 0 0 381.404 0.774 10 0 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1200368301 /nfs/dbraw/zinc/36/83/01/1200368301.db2.gz RBUKLTPQSSXKED-KRWDZBQOSA-N 0 0 382.482 0.938 10 0 GCAERN Cn1cnc2c1c(=O)n(CCCN1CCN(C)c3cc(F)ccc31)c(=O)n2C ZINC000173876646 1200378368 /nfs/dbraw/zinc/37/83/68/1200378368.db2.gz PMOZKDRZNIPAPK-UHFFFAOYSA-N 0 0 386.431 0.919 10 0 GCAERN C[C@@H](COc1ccccc1)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000675435881 1200401049 /nfs/dbraw/zinc/40/10/49/1200401049.db2.gz CFDZRWRIXVIGGG-KRWDZBQOSA-N 0 0 375.469 0.705 10 0 GCAERN C[C@@H](COc1ccccc1)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000675434917 1200401227 /nfs/dbraw/zinc/40/12/27/1200401227.db2.gz UTFVEQWZOXKRDV-KRWDZBQOSA-N 0 0 375.469 0.705 10 0 GCAERN CCOc1cccc(CCNS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)n1 ZINC000675467490 1200413438 /nfs/dbraw/zinc/41/34/38/1200413438.db2.gz MNGXCAJXULQWGH-UHFFFAOYSA-N 0 0 399.494 0.909 10 0 GCAERN CCOc1cccc(CCNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1 ZINC000675476750 1200416071 /nfs/dbraw/zinc/41/60/71/1200416071.db2.gz VHDOBOYLIWLVGI-UHFFFAOYSA-N 0 0 383.408 0.398 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C1 ZINC000675498713 1200421812 /nfs/dbraw/zinc/42/18/12/1200421812.db2.gz HAJRXNPIMGFGGJ-OAHLLOKOSA-N 0 0 397.501 0.339 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000675498808 1200422052 /nfs/dbraw/zinc/42/20/52/1200422052.db2.gz IHJZUEPVNVDHBF-CQSZACIVSA-N 0 0 397.501 0.685 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000675498802 1200422056 /nfs/dbraw/zinc/42/20/56/1200422056.db2.gz IHJZUEPVNVDHBF-AWEZNQCLSA-N 0 0 397.501 0.685 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000675516658 1200423554 /nfs/dbraw/zinc/42/35/54/1200423554.db2.gz FOCVJFCTZRETFX-ZDUSSCGKSA-N 0 0 376.413 0.706 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000675651821 1200448290 /nfs/dbraw/zinc/44/82/90/1200448290.db2.gz LHJNBEOKHWZJPT-CVEARBPZSA-N 0 0 388.534 0.355 10 0 GCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000675655835 1200450093 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GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2(C(N)=O)CCOCC2)cc1C ZINC000676284587 1200536077 /nfs/dbraw/zinc/53/60/77/1200536077.db2.gz AZMQTMOVDLJYKR-UHFFFAOYSA-N 0 0 383.470 0.075 10 0 GCAERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000676452345 1200559396 /nfs/dbraw/zinc/55/93/96/1200559396.db2.gz TWOWHZMVZLQRBJ-ZDUSSCGKSA-N 0 0 399.451 0.619 10 0 GCAERN C[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)c1ccncc1 ZINC000676553283 1200567609 /nfs/dbraw/zinc/56/76/09/1200567609.db2.gz HHZIOOAGOVQDJK-HNNXBMFYSA-N 0 0 386.456 0.469 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)C1 ZINC000676554397 1200567773 /nfs/dbraw/zinc/56/77/73/1200567773.db2.gz LGTINNREBDWBAS-AWEZNQCLSA-N 0 0 385.428 0.185 10 0 GCAERN O=C(Nc1ccc2c(c1F)CCNC2=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000671571405 1200577012 /nfs/dbraw/zinc/57/70/12/1200577012.db2.gz HGDJTFJSWNUGSW-SNVBAGLBSA-N 0 0 385.417 0.125 10 0 GCAERN CN(C)C(=O)CN1CCN(C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 ZINC000671571470 1200577548 /nfs/dbraw/zinc/57/75/48/1200577548.db2.gz WGAMYZRUFAEGKO-UHFFFAOYSA-N 0 0 377.420 0.349 10 0 GCAERN CNS(=O)(=O)[C@H]1CCN(C(=O)CCn2cnc3sc(C)c(C)c3c2=O)C1 ZINC000676734839 1200588238 /nfs/dbraw/zinc/58/82/38/1200588238.db2.gz GDBILYQOUVIPJO-LBPRGKRZSA-N 0 0 398.510 0.615 10 0 GCAERN Cn1ccnc1CN1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000133057934 1200592314 /nfs/dbraw/zinc/59/23/14/1200592314.db2.gz PGMJZZLGUYJSLY-LJQANCHMSA-N 0 0 383.496 0.965 10 0 GCAERN CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000544220254 1200659328 /nfs/dbraw/zinc/65/93/28/1200659328.db2.gz HUGOMTIOLGYXET-UHFFFAOYSA-N 0 0 398.423 0.726 10 0 GCAERN CC(C)(C)c1nnc(NC(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)s1 ZINC000373784544 1200670975 /nfs/dbraw/zinc/67/09/75/1200670975.db2.gz BBQSBSWVOYOPKK-KRWDZBQOSA-N 0 0 382.486 1.571 10 0 GCAERN CC(C)(C)c1nnc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)s1 ZINC000549771125 1200671472 /nfs/dbraw/zinc/67/14/72/1200671472.db2.gz FYLYMLBSRJMKMI-VXGBXAGGSA-N 0 0 396.513 1.458 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)C(=O)NCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000581393532 1200679556 /nfs/dbraw/zinc/67/95/56/1200679556.db2.gz WKGYRVNYCKVWGY-UHFFFAOYSA-N 0 0 378.820 1.380 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)C(=O)NCC(=O)N2CCc3ccccc3C2)n1 ZINC000541359589 1200680006 /nfs/dbraw/zinc/68/00/06/1200680006.db2.gz FTROHZWZFMIQMN-UHFFFAOYSA-N 0 0 384.440 0.673 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)n1 ZINC000464014838 1200680798 /nfs/dbraw/zinc/68/07/98/1200680798.db2.gz ZPWAWSGPFDXQET-LLVKDONJSA-N 0 0 388.403 1.032 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000546113913 1200680825 /nfs/dbraw/zinc/68/08/25/1200680825.db2.gz VKWVELIWZKJONZ-CHWSQXEVSA-N 0 0 385.490 1.233 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)n1 ZINC000544313723 1200682469 /nfs/dbraw/zinc/68/24/69/1200682469.db2.gz DJYWUXXPGUEXSO-UHFFFAOYSA-N 0 0 399.455 0.927 10 0 GCAERN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N(C)Cc3nnnn3C)cc2F)n1 ZINC000466653736 1200715151 /nfs/dbraw/zinc/71/51/51/1200715151.db2.gz DFKPORSJPZURIC-UHFFFAOYSA-N 0 0 386.391 0.749 10 0 GCAERN CNS(=O)(=O)NC1CCN(C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000551869831 1200731525 /nfs/dbraw/zinc/73/15/25/1200731525.db2.gz FXSRFIYOKMHBTC-UHFFFAOYSA-N 0 0 385.490 1.556 10 0 GCAERN CC(C)[C@H](NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)C(F)(F)F ZINC000471202007 1200760170 /nfs/dbraw/zinc/76/01/70/1200760170.db2.gz JMTXAXIQJPDRIP-ZDUSSCGKSA-N 0 0 391.394 0.857 10 0 GCAERN CNc1nnc(CC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)s1 ZINC000363915502 1200763301 /nfs/dbraw/zinc/76/33/01/1200763301.db2.gz ZCBJGAQJOJIIGA-UHFFFAOYSA-N 0 0 393.494 0.726 10 0 GCAERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000470617301 1200764875 /nfs/dbraw/zinc/76/48/75/1200764875.db2.gz GJSJSRAZFKHCKZ-VHSXEESVSA-N 0 0 387.362 0.623 10 0 GCAERN CCOCCOCc1cccc(NC(=O)C(=O)N(C)Cc2nnnn2C)c1C ZINC000466673095 1200825433 /nfs/dbraw/zinc/82/54/33/1200825433.db2.gz RBIJZVWIJOBFQE-UHFFFAOYSA-N 0 0 390.444 0.669 10 0 GCAERN COCC(=O)N1CCN(C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000434767995 1200848910 /nfs/dbraw/zinc/84/89/10/1200848910.db2.gz RNHDDUJRNYMLDA-UHFFFAOYSA-N 0 0 378.429 0.762 10 0 GCAERN COCCCn1ccc(NC(=O)C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)n1 ZINC000375570818 1200856882 /nfs/dbraw/zinc/85/68/82/1200856882.db2.gz MJNSGRUHRWKEQL-ZDUSSCGKSA-N 0 0 389.460 1.176 10 0 GCAERN O=C(Nc1ccn(-c2ccccc2Cl)n1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000375238895 1200861826 /nfs/dbraw/zinc/86/18/26/1200861826.db2.gz SIHHKBNSHTWENM-CYBMUJFWSA-N 0 0 389.843 1.007 10 0 GCAERN Cc1ccc(NC(=O)C(=O)N(C)Cc2nnnn2C)c(OC[C@@H]2CCCO2)c1 ZINC000466685517 1200874658 /nfs/dbraw/zinc/87/46/58/1200874658.db2.gz GXDNDQHSQRCVNW-ZDUSSCGKSA-N 0 0 388.428 0.673 10 0 GCAERN CN(Cc1nnnn1C)C(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000466683168 1200879436 /nfs/dbraw/zinc/87/94/36/1200879436.db2.gz PMICYUDNNVIBQR-GFCCVEGCSA-N 0 0 392.391 0.504 10 0 GCAERN CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000564163062 1200892515 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0.728 10 0 GCAERN COc1cc(OC)c(C[C@H](C)NC(=O)C(=O)Nc2cc(C)n(C)n2)c(OC)c1 ZINC000453866224 1200951156 /nfs/dbraw/zinc/95/11/56/1200951156.db2.gz HRDXCBPCEPCIHO-NSHDSACASA-N 0 0 390.440 1.440 10 0 GCAERN COc1ccc(-c2nnc(NC(=O)N[C@H]3CCCN(CCO)C3=O)s2)cc1 ZINC000547844052 1200957725 /nfs/dbraw/zinc/95/77/25/1200957725.db2.gz TVLGAWFRBSZYHB-ZDUSSCGKSA-N 0 0 391.453 1.319 10 0 GCAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)Nc1ncn(C(C)(C)C)n1)CC2 ZINC000542292620 1200958620 /nfs/dbraw/zinc/95/86/20/1200958620.db2.gz BJKMZQDAXHQHDH-CHWSQXEVSA-N 0 0 379.461 0.750 10 0 GCAERN CS(=O)(=O)NCC1CCN(C(=O)Nc2ccn(Cc3ccncc3)n2)CC1 ZINC000554256660 1201039560 /nfs/dbraw/zinc/03/95/60/1201039560.db2.gz PWHJZKBDURTEMQ-UHFFFAOYSA-N 0 0 392.485 1.120 10 0 GCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000559019735 1201076547 /nfs/dbraw/zinc/07/65/47/1201076547.db2.gz QJCGDXIKFNZYDW-OAHLLOKOSA-N 0 0 379.424 1.192 10 0 GCAERN O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCN(CCCO)CC2)C1 ZINC000543682318 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GCAERN O=C(NCCCn1nc2n(c1=O)CCCC2)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000164235172 1201337792 /nfs/dbraw/zinc/33/77/92/1201337792.db2.gz CMIFRTWWVLVBSL-CABCVRRESA-N 0 0 390.488 0.471 10 0 GCAERN Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCCn2cncn2)[C@H](C)O)cc1C ZINC000727179641 1201350141 /nfs/dbraw/zinc/35/01/41/1201350141.db2.gz GXEOBUWCQKPQNR-ZFWWWQNUSA-N 0 0 382.442 0.166 10 0 GCAERN CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCC(=O)NC(N)=O)CC1 ZINC000727557933 1201359374 /nfs/dbraw/zinc/35/93/74/1201359374.db2.gz UJUFZXDPWNLEHT-UHFFFAOYSA-N 0 0 376.413 0.689 10 0 GCAERN O=C(CCn1cc[nH]c(=O)c1=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000727848495 1201372371 /nfs/dbraw/zinc/37/23/71/1201372371.db2.gz MWXPVDDJCBHANV-UHFFFAOYSA-N 0 0 377.445 0.113 10 0 GCAERN Cc1ccccc1CC(=O)N1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000727853539 1201373018 /nfs/dbraw/zinc/37/30/18/1201373018.db2.gz KYUSDKMSQBVVOT-UHFFFAOYSA-N 0 0 384.436 0.149 10 0 GCAERN COC(=O)CCNC(=O)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O ZINC000727976473 1201387754 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CCOC(=O)C1(CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000771603126 1202150804 /nfs/dbraw/zinc/15/08/04/1202150804.db2.gz JLEQJFIBNTUVMC-ZDUSSCGKSA-N 0 0 397.472 0.962 10 0 GCAERN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NC[C@H](C)CCO)C1=O ZINC000771651630 1202153049 /nfs/dbraw/zinc/15/30/49/1202153049.db2.gz DBDCQGHDXNXRTI-YJYMSZOUSA-N 0 0 377.441 0.905 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)NC2(C(N)=O)CCCC2)c1OC ZINC000771754641 1202157212 /nfs/dbraw/zinc/15/72/12/1202157212.db2.gz BGSVISUCORJBKQ-UHFFFAOYSA-N 0 0 386.426 0.567 10 0 GCAERN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCCCCC(N)=O)C1=O ZINC000771720009 1202157648 /nfs/dbraw/zinc/15/76/48/1202157648.db2.gz GVRPRYRNSPUZPM-LJQANCHMSA-N 0 0 390.440 0.542 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC([C@H](O)c3nccn3C)CC2)C1 ZINC000771998701 1202171058 /nfs/dbraw/zinc/17/10/58/1202171058.db2.gz LLTLJJWERPFCTA-CABCVRRESA-N 0 0 378.477 0.679 10 0 GCAERN COC(=O)[C@H](OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C1CC1 ZINC000772133737 1202175142 /nfs/dbraw/zinc/17/51/42/1202175142.db2.gz BCCLMHLLUIPUOE-XHDPSFHLSA-N 0 0 396.421 0.182 10 0 GCAERN COC(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C1CC1 ZINC000772133736 1202175324 /nfs/dbraw/zinc/17/53/24/1202175324.db2.gz BCCLMHLLUIPUOE-NHYWBVRUSA-N 0 0 396.421 0.182 10 0 GCAERN CN(C)S(=O)(=O)CCC(=O)OCC(=O)NCCc1cccc2cccnc21 ZINC000772276038 1202178038 /nfs/dbraw/zinc/17/80/38/1202178038.db2.gz OWRMWKKRNKSZRB-UHFFFAOYSA-N 0 0 393.465 0.718 10 0 GCAERN CN1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000787611018 1205394860 /nfs/dbraw/zinc/39/48/60/1205394860.db2.gz CXOCEXOHHDYJRD-MRXNPFEDSA-N 0 0 392.887 0.204 10 0 GCAERN CC[S@](=O)CCNC(=O)C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC000787615314 1205395025 /nfs/dbraw/zinc/39/50/25/1205395025.db2.gz XIEXZASKICMXLR-SOKVYYICSA-N 0 0 395.525 0.369 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000787603166 1205396750 /nfs/dbraw/zinc/39/67/50/1205396750.db2.gz PEDDMERUHRCPNL-STQMWFEESA-N 0 0 392.456 0.572 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)cc1OC ZINC000787601951 1205396794 /nfs/dbraw/zinc/39/67/94/1205396794.db2.gz IIKIJOOWYJFBQU-UWVGGRQHSA-N 0 0 399.831 0.860 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000787738042 1205401986 /nfs/dbraw/zinc/40/19/86/1205401986.db2.gz QCKAHGWNAVQGTC-QWXGXRTQSA-N 0 0 379.482 0.351 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@](C)(O)c1ccc(F)cc1 ZINC000787881835 1205405177 /nfs/dbraw/zinc/40/51/77/1205405177.db2.gz NPODSRJBORYVMJ-FTLABTOESA-N 0 0 383.420 0.789 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000787880980 1205405180 /nfs/dbraw/zinc/40/51/80/1205405180.db2.gz JGVANHHHZCNOST-ZJUUUORDSA-N 0 0 395.378 0.996 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000787882925 1205405203 /nfs/dbraw/zinc/40/52/03/1205405203.db2.gz SMINADVCSHMJDN-JMERFSKESA-N 0 0 395.431 0.885 10 0 GCAERN Cn1ccc(CNC(=O)C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000788300225 1205417812 /nfs/dbraw/zinc/41/78/12/1205417812.db2.gz GZURVQNZPLRBKL-UHFFFAOYSA-N 0 0 379.461 0.800 10 0 GCAERN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000788279171 1205418709 /nfs/dbraw/zinc/41/87/09/1205418709.db2.gz MLAMHMBLWICKIY-GJZGRUSLSA-N 0 0 396.488 0.045 10 0 GCAERN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000788279175 1205418814 /nfs/dbraw/zinc/41/88/14/1205418814.db2.gz MLAMHMBLWICKIY-LSDHHAIUSA-N 0 0 396.488 0.045 10 0 GCAERN C[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)c1ccc(N2CCCC2=O)cc1 ZINC000788390139 1205421828 /nfs/dbraw/zinc/42/18/28/1205421828.db2.gz HFCOJOXMIKVCNT-LBPRGKRZSA-N 0 0 381.454 0.151 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000788424384 1205422142 /nfs/dbraw/zinc/42/21/42/1205422142.db2.gz GEEKNFYDVDHUGT-ZDUSSCGKSA-N 0 0 396.488 0.581 10 0 GCAERN CON(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)N2CCCCC2=O)cc1 ZINC000788617092 1205426884 /nfs/dbraw/zinc/42/68/84/1205426884.db2.gz OMOQHSRMENSYLL-CYBMUJFWSA-N 0 0 383.470 0.999 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CCc1ccc(OC)cc1 ZINC000788677048 1205427558 /nfs/dbraw/zinc/42/75/58/1205427558.db2.gz CYKCRFYWNIHAHT-CHWSQXEVSA-N 0 0 386.470 0.613 10 0 GCAERN Cn1cccc1[C@H]1CCCCN1C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000746760501 1205429098 /nfs/dbraw/zinc/42/90/98/1205429098.db2.gz GFIUCYGHWGOWIJ-MRXNPFEDSA-N 0 0 384.502 0.924 10 0 GCAERN CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000746781894 1205433594 /nfs/dbraw/zinc/43/35/94/1205433594.db2.gz NPKZSMDNURPIRW-UHFFFAOYSA-N 0 0 376.461 0.217 10 0 GCAERN CN(CC1CC1)C(=O)COC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000789111931 1205435746 /nfs/dbraw/zinc/43/57/46/1205435746.db2.gz SHZREUAGRCTPOB-QGZVFWFLSA-N 0 0 381.429 0.014 10 0 GCAERN COCCOCCNC(=O)C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000789915202 1205451270 /nfs/dbraw/zinc/45/12/70/1205451270.db2.gz QIEGOVPGZYFMMM-AWEZNQCLSA-N 0 0 377.441 0.770 10 0 GCAERN CCOC(=O)N[C@H](CNC(=O)C(=O)N1CCSC[C@H]1CCO)CC(C)C ZINC000789931607 1205451860 /nfs/dbraw/zinc/45/18/60/1205451860.db2.gz ARGGHRNORWMCID-UONOGXRCSA-N 0 0 389.518 0.590 10 0 GCAERN Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)CC2=O)cc1F ZINC000790240432 1205459608 /nfs/dbraw/zinc/45/96/08/1205459608.db2.gz SUMRHUHXTDHMTM-BLVKFPJESA-N 0 0 388.399 0.688 10 0 GCAERN Cc1ccc(N2C[C@H](C(=O)N3CCC[C@]4(C3)NC(=O)NC4=O)CC2=O)cc1F ZINC000790240434 1205459750 /nfs/dbraw/zinc/45/97/50/1205459750.db2.gz SUMRHUHXTDHMTM-CWTRNNRKSA-N 0 0 388.399 0.688 10 0 GCAERN C[C@@H]1[C@@H](C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CCN1C(=O)OC(C)(C)C ZINC000790233371 1205460664 /nfs/dbraw/zinc/46/06/64/1205460664.db2.gz HWECRFMHMAIOLW-FTLABTOESA-N 0 0 380.445 0.833 10 0 GCAERN C[C@H](C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000790235723 1205460934 /nfs/dbraw/zinc/46/09/34/1205460934.db2.gz VFKBFQOTTHCYKR-BBATYDOGSA-N 0 0 380.445 0.690 10 0 GCAERN CN(C)S(=O)(=O)c1ccc(COC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1 ZINC000790683441 1205468456 /nfs/dbraw/zinc/46/84/56/1205468456.db2.gz CMUWTOXTLHDIQI-SFHVURJKSA-N 0 0 394.449 0.593 10 0 GCAERN Cc1cccc(OCCNC(=O)COC(=O)[C@@](C)(O)Cn2ccccc2=O)c1 ZINC000790674236 1205468486 /nfs/dbraw/zinc/46/84/86/1205468486.db2.gz LVZXFPRSDJQWTF-FQEVSTJZSA-N 0 0 388.420 0.646 10 0 GCAERN COCc1ccccc1CNC(=O)COC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000790672377 1205468487 /nfs/dbraw/zinc/46/84/87/1205468487.db2.gz GNDALTUQTVLEHY-FQEVSTJZSA-N 0 0 388.420 0.605 10 0 GCAERN Cc1cccc(OCCNC(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)c1 ZINC000790674238 1205468494 /nfs/dbraw/zinc/46/84/94/1205468494.db2.gz LVZXFPRSDJQWTF-HXUWFJFHSA-N 0 0 388.420 0.646 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000790677024 1205468681 /nfs/dbraw/zinc/46/86/81/1205468681.db2.gz HRZAEELMHRGAGD-LJQANCHMSA-N 0 0 385.376 0.128 10 0 GCAERN COc1ccc(OC)c(NC(=O)COC(=O)[C@@](C)(O)Cn2ccccc2=O)c1 ZINC000790681833 1205468746 /nfs/dbraw/zinc/46/87/46/1205468746.db2.gz GIKCVRZIWRHYGZ-IBGZPJMESA-N 0 0 390.392 0.798 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)OCCN1C(=O)NC2(CCCC2)C1=O ZINC000790680888 1205468812 /nfs/dbraw/zinc/46/88/12/1205468812.db2.gz TTWAXXOAWGWSDG-KRWDZBQOSA-N 0 0 377.397 0.007 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000790683190 1205468854 /nfs/dbraw/zinc/46/88/54/1205468854.db2.gz OBTDBIQFIKQRMJ-LJQANCHMSA-N 0 0 388.376 0.552 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)OCc1ccc(NS(C)(=O)=O)cc1 ZINC000790680761 1205468884 /nfs/dbraw/zinc/46/88/84/1205468884.db2.gz SEAVLUGAPPAOPM-QGZVFWFLSA-N 0 0 380.422 0.714 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)NCC1(c2ccccc2)CC1 ZINC000790680572 1205468903 /nfs/dbraw/zinc/46/89/03/1205468903.db2.gz RFGVWQIYNZRJHF-HXUWFJFHSA-N 0 0 384.432 0.991 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000790682917 1205470073 /nfs/dbraw/zinc/47/00/73/1205470073.db2.gz ALUKPCPMRUEJFE-LJQANCHMSA-N 0 0 388.376 0.188 10 0 GCAERN COc1cccc(CN(C)C(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)c1 ZINC000790685178 1205470198 /nfs/dbraw/zinc/47/01/98/1205470198.db2.gz MSOIBIJHDKKAAW-HXUWFJFHSA-N 0 0 388.420 0.810 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)NCCOc1cccc(F)c1 ZINC000790685101 1205470238 /nfs/dbraw/zinc/47/02/38/1205470238.db2.gz YMQKPZQBTDHCCE-LJQANCHMSA-N 0 0 392.383 0.477 10 0 GCAERN Cc1cc(NC(=O)COC(=O)CN2CCOCC2=O)n(-c2ccc(F)cc2)n1 ZINC000790728114 1205470405 /nfs/dbraw/zinc/47/04/05/1205470405.db2.gz BCLVUMAUJPKNBJ-UHFFFAOYSA-N 0 0 390.371 0.660 10 0 GCAERN O=C(COC(=O)CN1CCOCC1=O)NCC1(c2ccccc2)CCOCC1 ZINC000790732846 1205470620 /nfs/dbraw/zinc/47/06/20/1205470620.db2.gz HDUZCHKYORFBKY-UHFFFAOYSA-N 0 0 390.436 0.253 10 0 GCAERN CC(=O)NCCCc1ccc(C(=O)COC(=O)CN2CCOCC2=O)cc1 ZINC000790730461 1205470633 /nfs/dbraw/zinc/47/06/33/1205470633.db2.gz ZMRKFGUOJYWWRZ-UHFFFAOYSA-N 0 0 376.409 0.340 10 0 GCAERN CCN(Cc1ccc(OC)c(OC)c1)C(=O)COC(=O)CN1CCOCC1=O ZINC000790734432 1205470674 /nfs/dbraw/zinc/47/06/74/1205470674.db2.gz BMWJDGLVQPRXSE-UHFFFAOYSA-N 0 0 394.424 0.454 10 0 GCAERN 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530276833 /nfs/dbraw/zinc/27/68/33/530276833.db2.gz IQFSAAIXWDSUCV-JTQLQIEISA-N 0 0 389.271 0.824 10 0 GCAERN Cn1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)c1=O ZINC000125172076 530277411 /nfs/dbraw/zinc/27/74/11/530277411.db2.gz KOFHFXLWBBKFFE-SKDRFNHKSA-N 0 0 386.246 0.754 10 0 GCAERN C[C@H](O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000408333460 530282544 /nfs/dbraw/zinc/28/25/44/530282544.db2.gz FFRHFIZYNXJSLG-IPYPFGDCSA-N 0 0 382.548 0.469 10 0 GCAERN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCc1nnc2n1CCCC2 ZINC000156931066 530283746 /nfs/dbraw/zinc/28/37/46/530283746.db2.gz UZKDJVHSYNVBNS-NSHDSACASA-N 0 0 383.499 0.702 10 0 GCAERN O=C1NCCN1C1CN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000296107250 530283757 /nfs/dbraw/zinc/28/37/57/530283757.db2.gz REVBRMYBJFDEDI-UHFFFAOYSA-N 0 0 378.223 0.986 10 0 GCAERN CC(=O)N1CCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)[C@H](C)C1 ZINC000561889959 530284838 /nfs/dbraw/zinc/28/48/38/530284838.db2.gz KCQWYDYQGKJMKL-KOLCDFICSA-N 0 0 388.412 0.071 10 0 GCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)CCN1c2ccccc2SCC1=O ZINC000329321344 530285429 /nfs/dbraw/zinc/28/54/29/530285429.db2.gz UKINWOMTQSOWST-LBPRGKRZSA-N 0 0 383.495 0.795 10 0 GCAERN COc1ccc(Br)cc1CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132485373 530290832 /nfs/dbraw/zinc/29/08/32/530290832.db2.gz QPTBJLJZEDQEHM-CQSZACIVSA-N 0 0 387.274 0.810 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCO[C@H]2CC2(F)F)cc1 ZINC000618123157 530292418 /nfs/dbraw/zinc/29/24/18/530292418.db2.gz CCLOOCRXJYVNON-ZDUSSCGKSA-N 0 0 376.381 0.708 10 0 GCAERN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000046914794 530258858 /nfs/dbraw/zinc/25/88/58/530258858.db2.gz OJIUDELZFKXELX-PHIMTYICSA-N 0 0 388.412 0.230 10 0 GCAERN CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000560064181 530259874 /nfs/dbraw/zinc/25/98/74/530259874.db2.gz MOWKYJVWLPZUCE-STQMWFEESA-N 0 0 378.491 0.952 10 0 GCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000116831800 530265924 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530663057 /nfs/dbraw/zinc/66/30/57/530663057.db2.gz LVAQDUBQHRJQGL-SNVBAGLBSA-N 0 0 388.140 0.795 10 0 GCAERN COC[C@@H](O)CNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000466325312 530668546 /nfs/dbraw/zinc/66/85/46/530668546.db2.gz LTEPISSJHHTISU-NSHDSACASA-N 0 0 379.866 0.315 10 0 GCAERN COc1ccc(Br)c(NC(=O)C(=O)N(C)Cc2nnnn2C)c1 ZINC000466681092 530670364 /nfs/dbraw/zinc/67/03/64/530670364.db2.gz DGJBVVGCJZRKIH-UHFFFAOYSA-N 0 0 383.206 0.578 10 0 GCAERN CN(c1ccccc1NC(=O)C(=O)NC[C@H](O)C(F)(F)F)S(C)(=O)=O ZINC000466763954 530671098 /nfs/dbraw/zinc/67/10/98/530671098.db2.gz FBNNJGBZWCCVTQ-JTQLQIEISA-N 0 0 383.348 0.060 10 0 GCAERN Cc1ccc2[nH]c(CNS(=O)(=O)c3cccc(S(N)(=O)=O)c3)nc2c1 ZINC000466922751 530671644 /nfs/dbraw/zinc/67/16/44/530671644.db2.gz CZQYQHZIYIXYNY-UHFFFAOYSA-N 0 0 380.451 0.997 10 0 GCAERN O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCCn1ncnn1 ZINC000532763400 530672263 /nfs/dbraw/zinc/67/22/63/530672263.db2.gz QPHUHGCXJGRFPD-UHFFFAOYSA-N 0 0 393.201 0.238 10 0 GCAERN CSC[C@H](C(=O)NC[C@H](O)C(F)(F)F)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000467631902 530675967 /nfs/dbraw/zinc/67/59/67/530675967.db2.gz ZFJUUZCHIMSBMQ-DBIOUOCHSA-N 0 0 382.404 0.933 10 0 GCAERN Cc1nc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)sc1SCC(N)=O ZINC000468273693 530679155 /nfs/dbraw/zinc/67/91/55/530679155.db2.gz BJJGXFVWCNMCRN-HNNXBMFYSA-N 0 0 382.467 0.580 10 0 GCAERN Cn1cc(NC(=O)[C@](C)(O)Cn2ccccc2=O)cc(Br)c1=O ZINC000468343777 530679619 /nfs/dbraw/zinc/67/96/19/530679619.db2.gz JMHKMMUJPJKTLT-OAHLLOKOSA-N 0 0 382.214 0.699 10 0 GCAERN CS(=O)(=O)N[C@@H]1CCCN(c2ncc(I)cn2)C1 ZINC000613268381 530688315 /nfs/dbraw/zinc/68/83/15/530688315.db2.gz JULMKUUYPCDYQQ-SECBINFHSA-N 0 0 382.227 0.599 10 0 GCAERN O=S(=O)(CCCN1CCOCC1)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000367231010 530695479 /nfs/dbraw/zinc/69/54/79/530695479.db2.gz LVQPWJRFLROWBD-CVEARBPZSA-N 0 0 376.519 0.196 10 0 GCAERN CO[C@@H]1CC[C@@H](NS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000472198275 530703164 /nfs/dbraw/zinc/70/31/64/530703164.db2.gz KEYBIXOTXQLCSV-ZIAGYGMSSA-N 0 0 394.490 0.933 10 0 GCAERN COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)N2CCC[C@@H]2C)c1 ZINC000472574986 530706685 /nfs/dbraw/zinc/70/66/85/530706685.db2.gz SZGZSVIUEUTPCH-ZDUSSCGKSA-N 0 0 391.515 0.430 10 0 GCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000472661127 530707281 /nfs/dbraw/zinc/70/72/81/530707281.db2.gz SVLYXTXGLPRZJD-HUUCEWRRSA-N 0 0 394.563 0.452 10 0 GCAERN C[C@@H](Sc1ccccc1C(=O)NCCCN1CCCS1(=O)=O)C(N)=O ZINC000669895351 530708486 /nfs/dbraw/zinc/70/84/86/530708486.db2.gz HBYYJJWNUKHROX-GFCCVEGCSA-N 0 0 385.511 0.808 10 0 GCAERN CS(=O)(=O)c1cc(NC(=O)C(=O)N2CC(n3ccnn3)C2)ccc1Cl ZINC000472874404 530708617 /nfs/dbraw/zinc/70/86/17/530708617.db2.gz ZFNFXMQJMCDCBB-UHFFFAOYSA-N 0 0 383.817 0.357 10 0 GCAERN CO[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000472946832 530709414 /nfs/dbraw/zinc/70/94/14/530709414.db2.gz DMBCNTDVWDXDLE-NEPJUHHUSA-N 0 0 389.499 0.346 10 0 GCAERN CO[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000472946848 530709677 /nfs/dbraw/zinc/70/96/77/530709677.db2.gz DMBCNTDVWDXDLE-VXGBXAGGSA-N 0 0 389.499 0.346 10 0 GCAERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000473392005 530711548 /nfs/dbraw/zinc/71/15/48/530711548.db2.gz STIOQOKJLFCDGS-HTQZYQBOSA-N 0 0 383.348 0.456 10 0 GCAERN C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)CS2 ZINC000367711295 530714863 /nfs/dbraw/zinc/71/48/63/530714863.db2.gz BIEWFLNSOMZPJJ-IUODEOHRSA-N 0 0 375.516 0.228 10 0 GCAERN CC1(C)CN(C(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@]2(CCOC2)O1 ZINC000474030452 530714974 /nfs/dbraw/zinc/71/49/74/530714974.db2.gz NHFFSQSJOLQNGY-MRXNPFEDSA-N 0 0 375.491 0.390 10 0 GCAERN Cc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c(Br)n1 ZINC000369897970 530735984 /nfs/dbraw/zinc/73/59/84/530735984.db2.gz NANFSDMEGVHIGB-NSHDSACASA-N 0 0 383.246 0.634 10 0 GCAERN NC(=O)N[C@H]1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000477510138 530744794 /nfs/dbraw/zinc/74/47/94/530744794.db2.gz QIPGSMVDLYDBJJ-VIFPVBQESA-N 0 0 395.213 0.314 10 0 GCAERN CC(=O)N1CCN(CCNC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000477265996 530741935 /nfs/dbraw/zinc/74/19/35/530741935.db2.gz UDIAMZXGVOYIHU-UHFFFAOYSA-N 0 0 384.274 0.978 10 0 GCAERN O=C(N[C@@H]1CC[S@](=O)C1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000474971316 530721955 /nfs/dbraw/zinc/72/19/55/530721955.db2.gz SIOQBAINKYBNKD-DMDKVIGKSA-N 0 0 376.525 0.929 10 0 GCAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@H](O)C(F)F)C1 ZINC000475222678 530723467 /nfs/dbraw/zinc/72/34/67/530723467.db2.gz FNFDOSGKMMHFIZ-QWRGUYRKSA-N 0 0 380.417 0.169 10 0 GCAERN NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC(n3ccnn3)C2)c1 ZINC000368600517 530724934 /nfs/dbraw/zinc/72/49/34/530724934.db2.gz HMHWLYKJMFNSLE-UHFFFAOYSA-N 0 0 386.231 0.385 10 0 GCAERN Cc1cnn(Cc2cc(C(=O)NCc3ccc(S(N)(=O)=O)s3)no2)c1 ZINC000179194540 530725519 /nfs/dbraw/zinc/72/55/19/530725519.db2.gz XJNYMEATOJTXIZ-UHFFFAOYSA-N 0 0 381.439 0.867 10 0 GCAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCN2CCOC[C@H]2C1 ZINC000368827007 530726699 /nfs/dbraw/zinc/72/66/99/530726699.db2.gz UKMTXBWGYNZMLL-SNVBAGLBSA-N 0 0 379.891 0.223 10 0 GCAERN CCN(CC(N)=O)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000475789656 530727455 /nfs/dbraw/zinc/72/74/55/530727455.db2.gz SOWQDHHHKQTXLK-UHFFFAOYSA-N 0 0 382.214 0.769 10 0 GCAERN COc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000476639409 530734910 /nfs/dbraw/zinc/73/49/10/530734910.db2.gz QEWZUNJVQMKLNT-QMMMGPOBSA-N 0 0 385.218 0.665 10 0 GCAERN NS(=O)(=O)c1ccc(C(=O)NCCCn2ccnn2)cc1Br ZINC000185064667 530750183 /nfs/dbraw/zinc/75/01/83/530750183.db2.gz DVYXAJKVXVQJPD-UHFFFAOYSA-N 0 0 388.247 0.508 10 0 GCAERN NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2nscc2Br)C1 ZINC000404941868 530761021 /nfs/dbraw/zinc/76/10/21/530761021.db2.gz MFMGOKXHXDCCEO-SSDOTTSWSA-N 0 0 383.293 0.551 10 0 GCAERN C[C@](O)(CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC000581642369 530761600 /nfs/dbraw/zinc/76/16/00/530761600.db2.gz UPYTYVMCAMHSLN-HNNXBMFYSA-N 0 0 376.500 0.944 10 0 GCAERN CCO[C@H]1C[C@](NS(=O)(=O)c2ccnn2COC)(C(=O)OC)C1(C)C ZINC000480362250 530764317 /nfs/dbraw/zinc/76/43/17/530764317.db2.gz YQGZPSOTDONAHL-NHYWBVRUSA-N 0 0 375.447 0.512 10 0 GCAERN Cn1cnc(S(=O)(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1Cl ZINC000121316517 530775436 /nfs/dbraw/zinc/77/54/36/530775436.db2.gz MYRQBRLRFQUTLT-KBPBESRZSA-N 0 0 384.889 0.987 10 0 GCAERN NC(=O)[C@@H]1CCCN(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)C1 ZINC000031731729 530775624 /nfs/dbraw/zinc/77/56/24/530775624.db2.gz UZNRWAXBXMFHPU-LLVKDONJSA-N 0 0 393.245 0.827 10 0 GCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)C1 ZINC000373139022 530777979 /nfs/dbraw/zinc/77/79/79/530777979.db2.gz SSFNMCUSYBEDGY-MNOVXSKESA-N 0 0 383.396 0.747 10 0 GCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000615815026 530779750 /nfs/dbraw/zinc/77/97/50/530779750.db2.gz JBUOHNZVOGLHHX-LNLATYFQSA-N 0 0 388.467 0.818 10 0 GCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000615815028 530779798 /nfs/dbraw/zinc/77/97/98/530779798.db2.gz JBUOHNZVOGLHHX-SBMIAAHKSA-N 0 0 388.467 0.818 10 0 GCAERN CN(CCCNC(=O)N1CCC(CNS(C)(=O)=O)CC1)CC(F)(F)F ZINC000482715002 530786635 /nfs/dbraw/zinc/78/66/35/530786635.db2.gz XPDOFVVLFQIKSK-UHFFFAOYSA-N 0 0 388.456 0.841 10 0 GCAERN CCN1CC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1=O ZINC000669983433 530787080 /nfs/dbraw/zinc/78/70/80/530787080.db2.gz BAKNQGRHWGBUFV-CQSZACIVSA-N 0 0 387.483 0.026 10 0 GCAERN CCN1CC[C@H](NS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)C1=O ZINC000669983495 530787148 /nfs/dbraw/zinc/78/71/48/530787148.db2.gz GNQJNQALVLCAHS-AWEZNQCLSA-N 0 0 385.873 0.705 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)NCCCCCS(C)(=O)=O)c1 ZINC000480368211 530764463 /nfs/dbraw/zinc/76/44/63/530764463.db2.gz UOWZJJCAKBHKGA-UHFFFAOYSA-N 0 0 377.488 0.931 10 0 GCAERN CCOC(=O)CCCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000480540455 530766956 /nfs/dbraw/zinc/76/69/56/530766956.db2.gz JUCQFBIRRJMEBS-CYBMUJFWSA-N 0 0 375.491 0.833 10 0 GCAERN O=S(=O)(NC1CC1)c1cccc(S(=O)(=O)N2C[C@H](F)C[C@H]2CO)c1 ZINC000372430077 530768987 /nfs/dbraw/zinc/76/89/87/530768987.db2.gz YQTKPQPPKGXRKY-PWSUYJOCSA-N 0 0 378.447 0.221 10 0 GCAERN NS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000485446849 530799006 /nfs/dbraw/zinc/79/90/06/530799006.db2.gz PHRDWULEAPJHBT-ZDUSSCGKSA-N 0 0 381.376 0.933 10 0 GCAERN O=C(CNC(=O)c1ccc(Br)s1)N1CCN2CCOC[C@@H]2C1 ZINC000375186056 530799671 /nfs/dbraw/zinc/79/96/71/530799671.db2.gz GETAKMZBASSXAW-JTQLQIEISA-N 0 0 388.287 0.783 10 0 GCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(I)cn1 ZINC000193484139 530801105 /nfs/dbraw/zinc/80/11/05/530801105.db2.gz LHYXMWREZRANNX-YUMQZZPRSA-N 0 0 377.182 0.758 10 0 GCAERN CCN1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C1=O ZINC000669984834 530788413 /nfs/dbraw/zinc/78/84/13/530788413.db2.gz HVAPCGIHOGFENB-GFCCVEGCSA-N 0 0 387.483 0.026 10 0 GCAERN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(CC(F)F)CC1 ZINC000067095658 530791250 /nfs/dbraw/zinc/79/12/50/530791250.db2.gz ITVLYWMYKKFNPW-UHFFFAOYSA-N 0 0 383.442 0.125 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000374472305 530792957 /nfs/dbraw/zinc/79/29/57/530792957.db2.gz QAYRLCYUNXKIIM-AWEZNQCLSA-N 0 0 375.516 0.324 10 0 GCAERN CCN1CC[C@H](NC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1=O ZINC000670007279 530793207 /nfs/dbraw/zinc/79/32/07/530793207.db2.gz RIZNCZJFNALTJR-ZDUSSCGKSA-N 0 0 388.877 0.538 10 0 GCAERN CC(C)NS(=O)(=O)CCNC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374746752 530796356 /nfs/dbraw/zinc/79/63/56/530796356.db2.gz ABHYVFJVUZQAQT-KGLIPLIRSA-N 0 0 377.507 0.181 10 0 GCAERN C[C@@H](O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000269817313 530827044 /nfs/dbraw/zinc/82/70/44/530827044.db2.gz RRJPDMSXEPMZHA-GFCCVEGCSA-N 0 0 376.500 0.718 10 0 GCAERN O=S1(=O)C[C@H](N2CCN(Cc3csc(Br)c3)CC2)[C@H](O)C1 ZINC000269931793 530827414 /nfs/dbraw/zinc/82/74/14/530827414.db2.gz XKSWLUKQLKOWDA-NWDGAFQWSA-N 0 0 395.344 0.786 10 0 GCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cc1cccc(Br)c1 ZINC000110704309 530828529 /nfs/dbraw/zinc/82/85/29/530828529.db2.gz NDFRVHMIPXRBCY-ZDUSSCGKSA-N 0 0 382.258 0.845 10 0 GCAERN C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000067717912 530830490 /nfs/dbraw/zinc/83/04/90/530830490.db2.gz DXXXETHYTDBUNN-NNXHMXCWSA-N 0 0 375.535 0.914 10 0 GCAERN COC[C@H](O)CCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000498591868 530834756 /nfs/dbraw/zinc/83/47/56/530834756.db2.gz WBTQMNPQAHLKSW-LLVKDONJSA-N 0 0 399.241 0.949 10 0 GCAERN CC1(C)COCCN1CCNC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000492001193 530834865 /nfs/dbraw/zinc/83/48/65/530834865.db2.gz QNQXOFLSMGYPGH-UHFFFAOYSA-N 0 0 376.523 0.068 10 0 GCAERN COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000492125896 530835564 /nfs/dbraw/zinc/83/55/64/530835564.db2.gz CBOOWAZEGHOMNX-UHFFFAOYSA-N 0 0 380.417 0.406 10 0 GCAERN C[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CCN1S(C)(=O)=O ZINC000618679022 530808262 /nfs/dbraw/zinc/80/82/62/530808262.db2.gz UEJWADDSHMSENN-OCCSQVGLSA-N 0 0 389.543 0.570 10 0 GCAERN C[C@@H]1CN(C(=O)CN2c3ccccc3SCC2=O)CCN1S(C)(=O)=O ZINC000618679722 530808576 /nfs/dbraw/zinc/80/85/76/530808576.db2.gz KFAJTZAIGFCQPZ-GFCCVEGCSA-N 0 0 383.495 0.618 10 0 GCAERN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618680292 530809258 /nfs/dbraw/zinc/80/92/58/530809258.db2.gz XQSDTRNGQSEXJV-KGLIPLIRSA-N 0 0 395.547 0.073 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)Cc1c(F)cccc1F ZINC000487368196 530812683 /nfs/dbraw/zinc/81/26/83/530812683.db2.gz QIKURWZMSDAIGT-ZJUUUORDSA-N 0 0 378.397 0.841 10 0 GCAERN CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCN2CCOCC2(C)C)C1 ZINC000376328007 530813033 /nfs/dbraw/zinc/81/30/33/530813033.db2.gz OMDOSDDLYLLFKU-AWEZNQCLSA-N 0 0 376.523 0.163 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000487373897 530813187 /nfs/dbraw/zinc/81/31/87/530813187.db2.gz ZHKQIJDZNJVVPD-DTWKUNHWSA-N 0 0 392.455 0.269 10 0 GCAERN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000268832543 530818598 /nfs/dbraw/zinc/81/85/98/530818598.db2.gz MPJCKXGIBVUUCS-MLGOLLRUSA-N 0 0 388.511 0.869 10 0 GCAERN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000268777410 530818789 /nfs/dbraw/zinc/81/87/89/530818789.db2.gz HKZHXCJCPJYUAD-XJKSGUPXSA-N 0 0 388.511 0.910 10 0 GCAERN CCN1CC[C@@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1=O ZINC000670030771 530819028 /nfs/dbraw/zinc/81/90/28/530819028.db2.gz YQHBXNAMQHFLHC-GFCCVEGCSA-N 0 0 394.225 0.782 10 0 GCAERN Cn1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Br)s2)n1 ZINC000498557340 530821025 /nfs/dbraw/zinc/82/10/25/530821025.db2.gz VBQXFIKIVHNAHR-UHFFFAOYSA-N 0 0 393.288 0.839 10 0 GCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000377151002 530822727 /nfs/dbraw/zinc/82/27/27/530822727.db2.gz PXEMDMYKNDKRLX-DZGCQCFKSA-N 0 0 383.495 0.487 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)N2CC[C@@](F)(CO)C2)c1OC ZINC000619797285 530823117 /nfs/dbraw/zinc/82/31/17/530823117.db2.gz JAUUUOMWWUWMOT-HNNXBMFYSA-N 0 0 377.390 0.585 10 0 GCAERN CCN1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2cc(C)sc2C)C1=O ZINC000670046689 530825954 /nfs/dbraw/zinc/82/59/54/530825954.db2.gz PZHSUVFODPNRQW-GFCCVEGCSA-N 0 0 388.515 0.563 10 0 GCAERN Cc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178963081 530851845 /nfs/dbraw/zinc/85/18/45/530851845.db2.gz LAGKIGPSDPTGJQ-ZDUSSCGKSA-N 0 0 381.274 0.812 10 0 GCAERN CN(CC(=O)NC[C@H]1CN2CCN1CC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000178642646 530851952 /nfs/dbraw/zinc/85/19/52/530851952.db2.gz FYJOXFIGXSYCEC-AWEZNQCLSA-N 0 0 386.905 0.077 10 0 GCAERN O=C(NC[C@H]1CN2CCN1CC2)C(=O)Nc1ccc(F)cc1Br ZINC000178962199 530852055 /nfs/dbraw/zinc/85/20/55/530852055.db2.gz SBFQPGIAKRKSHV-NSHDSACASA-N 0 0 385.237 0.643 10 0 GCAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)Nc1cc(F)ccc1Br ZINC000178960426 530852299 /nfs/dbraw/zinc/85/22/99/530852299.db2.gz IZCLKRRCTWAFQS-LLVKDONJSA-N 0 0 385.237 0.643 10 0 GCAERN 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530957582 /nfs/dbraw/zinc/95/75/82/530957582.db2.gz DULDXNYVLURQNS-UHFFFAOYSA-N 0 0 388.467 0.338 10 0 GCAERN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000511365209 530936511 /nfs/dbraw/zinc/93/65/11/530936511.db2.gz WANVWOGEERWRRK-STQMWFEESA-N 0 0 388.511 0.688 10 0 GCAERN C[C@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)[C@H]1COc2ccccc21 ZINC000130004171 530940847 /nfs/dbraw/zinc/94/08/47/530940847.db2.gz MTUWEIUQGAAGRH-GXSJLCMTSA-N 0 0 394.225 0.980 10 0 GCAERN COC[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)OC ZINC000512415891 530942456 /nfs/dbraw/zinc/94/24/56/530942456.db2.gz QKIYUBZSZLGEPX-ZDUSSCGKSA-N 0 0 392.499 0.411 10 0 GCAERN CN(C)C(=O)Cc1nc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cs1 ZINC000135692342 530948207 /nfs/dbraw/zinc/94/82/07/530948207.db2.gz GRVJUUSLRLIQOX-CQSZACIVSA-N 0 0 386.543 0.774 10 0 GCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C1 ZINC000194324583 530949769 /nfs/dbraw/zinc/94/97/69/530949769.db2.gz VZJHAXXQNLEKHO-YPMHNXCESA-N 0 0 389.271 0.903 10 0 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531197718 /nfs/dbraw/zinc/19/77/18/531197718.db2.gz CUKIEZPQUDTMSQ-UHFFFAOYSA-N 0 0 388.471 0.754 10 0 GCAERN CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(N)=O)[C@H](C)O ZINC000254744331 212137288 /nfs/dbraw/zinc/13/72/88/212137288.db2.gz QPRJPHGJVRUAPP-UBHSHLNASA-N 0 0 383.470 0.385 10 0 GCAERN O=C(Cn1c2cnn([C@@H]3CCS(=O)(=O)C3)c2cnc1=O)c1ccc(F)cc1 ZINC000032642331 212109491 /nfs/dbraw/zinc/10/94/91/212109491.db2.gz YNYUDZFWRHRFPY-CYBMUJFWSA-N 0 0 390.396 0.975 10 0 GCAERN Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2cc(Cl)cnc2N)C1=O ZINC000328614847 212085144 /nfs/dbraw/zinc/08/51/44/212085144.db2.gz XASDPAKPWVWMIT-SNVBAGLBSA-N 0 0 384.849 0.525 10 0 GCAERN O=C(CN1CSCC1=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 ZINC000328618566 212085162 /nfs/dbraw/zinc/08/51/62/212085162.db2.gz DWHOSRRNUIRLPV-CQSZACIVSA-N 0 0 377.470 0.510 10 0 GCAERN CC(C)NC(=O)CN1CCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000076649279 209112125 /nfs/dbraw/zinc/11/21/25/209112125.db2.gz URSWUOMPHYQYFG-AWEZNQCLSA-N 0 0 378.439 0.930 10 0 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CCN(CC(=O)OC)Cn1c2cc(S(=O)(=O)N(C)C)ccc2n(CC)c1=O ZINC000728708901 1188114535 /nfs/dbraw/zinc/11/45/35/1188114535.db2.gz IJIRFEWCDSCDRF-UHFFFAOYSA-N 0 0 398.485 0.526 10 0 GCAERN CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H]2CN(C)CCO2)n1 ZINC000328656018 1188124887 /nfs/dbraw/zinc/12/48/87/1188124887.db2.gz YZIGTZDBFCPXJO-SOUVJXGZSA-N 0 0 380.468 0.248 10 0 GCAERN CC(=O)c1cccc(NC(=O)CN2CCCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000377757634 1188130651 /nfs/dbraw/zinc/13/06/51/1188130651.db2.gz CGCHGKZWVZXBHA-UHFFFAOYSA-N 0 0 382.486 0.642 10 0 GCAERN CNC(=O)c1cccc(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000377777199 1188134516 /nfs/dbraw/zinc/13/45/16/1188134516.db2.gz DIDQXVHRKFIIOI-UHFFFAOYSA-N 0 0 382.424 0.514 10 0 GCAERN C[C@]1(O)CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408053752 1188153800 /nfs/dbraw/zinc/15/38/00/1188153800.db2.gz PKERIMQATJMSTB-FSZRXZPDSA-N 0 0 386.514 0.470 10 0 GCAERN Cn1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1=O ZINC000549349992 1188155067 /nfs/dbraw/zinc/15/50/67/1188155067.db2.gz WCNLFPFMOKSDFR-CQSZACIVSA-N 0 0 398.419 0.120 10 0 GCAERN COc1ccc(F)cc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000408056058 1188161716 /nfs/dbraw/zinc/16/17/16/1188161716.db2.gz CHHQOQRPMDRJPL-UHFFFAOYSA-N 0 0 387.433 0.169 10 0 GCAERN NC(=O)[C@H]1CC(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)=NN1c1ccccc1 ZINC000377941119 1189380753 /nfs/dbraw/zinc/38/07/53/1189380753.db2.gz AHJQRPXUQNQCPU-DOTOQJQBSA-N 0 0 399.451 0.003 10 0 GCAERN COC(=O)c1ccc(CS(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000377941670 1189383349 /nfs/dbraw/zinc/38/33/49/1189383349.db2.gz CBONJGZKOFAOJW-INIZCTEOSA-N 0 0 396.465 0.673 10 0 GCAERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000472954068 1189459766 /nfs/dbraw/zinc/45/97/66/1189459766.db2.gz SJZZKLXDHYEJLV-CMPLNLGQSA-N 0 0 399.373 0.756 10 0 GCAERN C[C@H](NC(=O)CNC(=O)CN1CCN2CCOC[C@@H]2C1)c1ccc(F)cc1 ZINC000363798994 1189477480 /nfs/dbraw/zinc/47/74/80/1189477480.db2.gz KGEBKFRMMKDKDY-YOEHRIQHSA-N 0 0 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AJWPMXHUBDRATK-UHFFFAOYSA-N 0 0 378.400 0.199 10 0 GCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434802422 1194870767 /nfs/dbraw/zinc/87/07/67/1194870767.db2.gz KTGOIHWNVBBDOU-LBPRGKRZSA-N 0 0 398.485 0.985 10 0 GCAERN O=C(CN1CCC[C@]2(C1)NC(=O)NC2=O)NCCCOc1ccccc1F ZINC000434798787 1194871421 /nfs/dbraw/zinc/87/14/21/1194871421.db2.gz LRCQDTCMUNIJSH-GOSISDBHSA-N 0 0 378.404 0.385 10 0 GCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)NC[C@H]3CC[C@H](C(=O)N(C)C)O3)sc2C1 ZINC000434830457 1194871984 /nfs/dbraw/zinc/87/19/84/1194871984.db2.gz SNMIDGXHFJMFHP-NQBHXWOUSA-N 0 0 394.497 0.958 10 0 GCAERN O=C(Nc1nc2c(s1)CCCC2)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000434924538 1194877235 /nfs/dbraw/zinc/87/72/35/1194877235.db2.gz JETXOVJKDFKVPM-CYBMUJFWSA-N 0 0 392.481 0.857 10 0 GCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)N3CCc4nn(C)c(=O)cc4C3)sc2C1 ZINC000434916612 1194877605 /nfs/dbraw/zinc/87/76/05/1194877605.db2.gz QFVJATXQWYFXJS-SNVBAGLBSA-N 0 0 387.465 0.885 10 0 GCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C1 ZINC000434972041 1194880582 /nfs/dbraw/zinc/88/05/82/1194880582.db2.gz MFURRRFVRUKXMU-LBPRGKRZSA-N 0 0 398.485 0.985 10 0 GCAERN CCOC(=O)CNC(=O)C1CCN(C(=O)NCc2nnc3ccccn32)CC1 ZINC000434989115 1194881499 /nfs/dbraw/zinc/88/14/99/1194881499.db2.gz AADRFECDGXVNEQ-UHFFFAOYSA-N 0 0 388.428 0.330 10 0 GCAERN CC1(c2cc(NC(=O)C(=O)N3CCC[C@H](S(N)(=O)=O)C3)no2)CCCC1 ZINC000434990728 1194881906 /nfs/dbraw/zinc/88/19/06/1194881906.db2.gz KCZUZGJNNSTJHB-NSHDSACASA-N 0 0 384.458 0.724 10 0 GCAERN O=C(Nc1nc2c(s1)CCCCC2)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000435029464 1194884314 /nfs/dbraw/zinc/88/43/14/1194884314.db2.gz MFBXJQLSIWXIKQ-LBPRGKRZSA-N 0 0 380.470 0.450 10 0 GCAERN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435103106 1194889947 /nfs/dbraw/zinc/88/99/47/1194889947.db2.gz XPNWQQVWOZABOZ-SMDDNHRTSA-N 0 0 379.413 0.970 10 0 GCAERN COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435117969 1194890857 /nfs/dbraw/zinc/89/08/57/1194890857.db2.gz APSUMNOEDWPSKM-KBPBESRZSA-N 0 0 395.456 1.382 10 0 GCAERN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435117971 1194890909 /nfs/dbraw/zinc/89/09/09/1194890909.db2.gz APSUMNOEDWPSKM-UONOGXRCSA-N 0 0 395.456 1.382 10 0 GCAERN CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1C[C@H]3CCCCN3C[C@@H]1C)CC2 ZINC000514683496 1194892896 /nfs/dbraw/zinc/89/28/96/1194892896.db2.gz BYAHVVHWFKSUCA-ARFHVFGLSA-N 0 0 388.516 0.918 10 0 GCAERN COC(=O)C[C@H]1CCCN1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000435164907 1194895459 /nfs/dbraw/zinc/89/54/59/1194895459.db2.gz IDDJFTGQXMBGFK-MRXNPFEDSA-N 0 0 380.489 0.668 10 0 GCAERN CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000505646600 1194908789 /nfs/dbraw/zinc/90/87/89/1194908789.db2.gz OZQAQALBPWCCLM-ZDUSSCGKSA-N 0 0 396.394 0.795 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000435308724 1194915727 /nfs/dbraw/zinc/91/57/27/1194915727.db2.gz VYMCTYLCGINOHQ-ZJUUUORDSA-N 0 0 396.469 0.533 10 0 GCAERN Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@]4(CC=CCC4)C3)C2=O)cn1 ZINC000514882762 1194924976 /nfs/dbraw/zinc/92/49/76/1194924976.db2.gz VDZVUHJBNIBNIA-OXJNMPFZSA-N 0 0 385.468 0.991 10 0 GCAERN CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@H](C)NC(=O)c2ccccc2)CC1 ZINC000435416147 1194930073 /nfs/dbraw/zinc/93/00/73/1194930073.db2.gz NBWFERIXLTXMOO-CQSZACIVSA-N 0 0 389.452 0.723 10 0 GCAERN COC(=O)C[C@H]1CCCN1C(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000435455890 1194932290 /nfs/dbraw/zinc/93/22/90/1194932290.db2.gz ZCDVWHLARIJLOI-LLVKDONJSA-N 0 0 388.417 0.578 10 0 GCAERN O=C(NCc1cccc(CO)c1)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000515050689 1194942278 /nfs/dbraw/zinc/94/22/78/1194942278.db2.gz LWHGGRXNWFYSQT-UHFFFAOYSA-N 0 0 384.436 0.343 10 0 GCAERN CCOC(=O)CNC(=O)C1CCN(C(=O)NCCc2cccc(OC)n2)CC1 ZINC000435774979 1194963424 /nfs/dbraw/zinc/96/34/24/1194963424.db2.gz WPJFCLPRYSZMGL-UHFFFAOYSA-N 0 0 392.456 0.734 10 0 GCAERN COC(=O)c1cncc(S(=O)(=O)N2CCN(c3ccnc(C)n3)CC2)c1 ZINC000515280260 1194964319 /nfs/dbraw/zinc/96/43/19/1194964319.db2.gz ODESJLJIYICMSF-UHFFFAOYSA-N 0 0 377.426 0.478 10 0 GCAERN CNC(=O)[C@]1(C)CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC2CCCC2)C1 ZINC000435975913 1194976747 /nfs/dbraw/zinc/97/67/47/1194976747.db2.gz UFNJPKKSYYSDTL-MGPUTAFESA-N 0 0 394.516 0.692 10 0 GCAERN COc1cccc2c1CCN(C(=O)C(=O)NCC(C)(C)N1CCOCC1)CC2 ZINC000549979249 1194996518 /nfs/dbraw/zinc/99/65/18/1194996518.db2.gz WWHHOLZUSDGJFK-UHFFFAOYSA-N 0 0 389.496 0.849 10 0 GCAERN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cnn(C)c4C)CC3)C2=O)n(C)n1 ZINC000505844957 1195015523 /nfs/dbraw/zinc/01/55/23/1195015523.db2.gz JBQOZJCOLUGTRX-QGZVFWFLSA-N 0 0 399.499 0.724 10 0 GCAERN COCCOCC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000505852219 1195019618 /nfs/dbraw/zinc/01/96/18/1195019618.db2.gz SIWWLZXFVRMBPP-INIZCTEOSA-N 0 0 393.488 0.031 10 0 GCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCCc2cc(OC)ccc2OC)C1 ZINC000516198458 1195031159 /nfs/dbraw/zinc/03/11/59/1195031159.db2.gz SWINFVFCESNVNI-OAHLLOKOSA-N 0 0 391.468 0.880 10 0 GCAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000516214081 1195034165 /nfs/dbraw/zinc/03/41/65/1195034165.db2.gz UCEBQLKPOZSONE-FJIDUMEYSA-N 0 0 379.501 0.774 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCNC(=O)c1ccc(C)cc1O ZINC000436818515 1195038210 /nfs/dbraw/zinc/03/82/10/1195038210.db2.gz FNUSQDMNQUHPCO-CHWSQXEVSA-N 0 0 393.440 0.393 10 0 GCAERN Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N[C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000516328375 1195042992 /nfs/dbraw/zinc/04/29/92/1195042992.db2.gz MLXZKGVKFHUGBB-MAUKXSAKSA-N 0 0 393.447 0.680 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000516384278 1195047219 /nfs/dbraw/zinc/04/72/19/1195047219.db2.gz XGVQAXVUXJKZCB-FZMZJTMJSA-N 0 0 381.454 0.280 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000516441245 1195052210 /nfs/dbraw/zinc/05/22/10/1195052210.db2.gz UFOLFZJBRDZCQB-JSGCOSHPSA-N 0 0 394.422 0.739 10 0 GCAERN O=C(N[C@@H]1CCCN(c2ccccc2F)C1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000288488094 1195061425 /nfs/dbraw/zinc/06/14/25/1195061425.db2.gz CZCIGFLFNMOFMJ-QRWLVFNGSA-N 0 0 391.443 0.929 10 0 GCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000437180078 1195079956 /nfs/dbraw/zinc/07/99/56/1195079956.db2.gz AKPQFJZYPFNLDC-OCCSQVGLSA-N 0 0 376.438 1.000 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2cnc(N(C)C)nc2)cc1 ZINC000506002247 1195085347 /nfs/dbraw/zinc/08/53/47/1195085347.db2.gz MKAIPOAYTXQQNO-UHFFFAOYSA-N 0 0 377.426 0.662 10 0 GCAERN COC[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 ZINC000437374683 1195102637 /nfs/dbraw/zinc/10/26/37/1195102637.db2.gz RGMWFNRBCQCCJH-OAHLLOKOSA-N 0 0 386.383 0.889 10 0 GCAERN COC[C@H](NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)c1ccc(F)cc1 ZINC000437386244 1195105192 /nfs/dbraw/zinc/10/51/92/1195105192.db2.gz OXRNQCIGRPJNDL-AWEZNQCLSA-N 0 0 384.433 0.650 10 0 GCAERN COc1cc(C(=O)N2CCN(c3ccnc(C)n3)CC2)sc1S(N)(=O)=O ZINC000516999528 1195121869 /nfs/dbraw/zinc/12/18/69/1195121869.db2.gz RPMPHXGEKPLUSZ-UHFFFAOYSA-N 0 0 397.482 0.465 10 0 GCAERN Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)no1 ZINC000517044410 1195129089 /nfs/dbraw/zinc/12/90/89/1195129089.db2.gz AEQMIYWDIXBCFM-UHFFFAOYSA-N 0 0 384.436 0.821 10 0 GCAERN CC(=O)Nc1ccc(CCNC(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)cc1 ZINC000517159724 1195146521 /nfs/dbraw/zinc/14/65/21/1195146521.db2.gz WDXQRWZKMMNYEI-FQEVSTJZSA-N 0 0 386.452 0.432 10 0 GCAERN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000437736578 1195147208 /nfs/dbraw/zinc/14/72/08/1195147208.db2.gz MIPNWMOHQAYGQA-UONOGXRCSA-N 0 0 392.504 1.515 10 0 GCAERN Cc1occc1C(=O)NC1CCN(C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC000506167796 1195175638 /nfs/dbraw/zinc/17/56/38/1195175638.db2.gz GBBLAEGTYFRTQV-UHFFFAOYSA-N 0 0 376.413 0.641 10 0 GCAERN COC(=O)[C@@H](O)C1CCN(C(=O)NCCCc2nnc3ccccn32)CC1 ZINC000437976119 1195177919 /nfs/dbraw/zinc/17/79/19/1195177919.db2.gz MAKAOOGCRUVQTG-INIZCTEOSA-N 0 0 375.429 0.617 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000517394023 1195178581 /nfs/dbraw/zinc/17/85/81/1195178581.db2.gz PPVVHXFXZIVAJL-GOSISDBHSA-N 0 0 397.497 0.016 10 0 GCAERN CCc1ncc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cn1 ZINC000438106744 1195187101 /nfs/dbraw/zinc/18/71/01/1195187101.db2.gz UOMJCVXQIBPFKE-UHFFFAOYSA-N 0 0 388.472 0.038 10 0 GCAERN CCNC(=O)COc1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1 ZINC000473589272 1195214522 /nfs/dbraw/zinc/21/45/22/1195214522.db2.gz FPHXLRIFUXKNEV-HNNXBMFYSA-N 0 0 378.429 0.306 10 0 GCAERN CC[C@H](NC(=O)Nc1cccc(S(=O)(=O)NC)c1)C(=O)N1CCOCC1 ZINC000438586292 1195228451 /nfs/dbraw/zinc/22/84/51/1195228451.db2.gz SZDDRUUZJBSGFD-AWEZNQCLSA-N 0 0 384.458 0.354 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000518026359 1195240051 /nfs/dbraw/zinc/24/00/51/1195240051.db2.gz XKCPKFODFKJXGO-WFASDCNBSA-N 0 0 395.481 0.670 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC000518048441 1195241261 /nfs/dbraw/zinc/24/12/61/1195241261.db2.gz KRARMUBVDGRXQL-GDZNZVCISA-N 0 0 389.452 0.532 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2ccn(C)n2)CC1 ZINC000518053962 1195241988 /nfs/dbraw/zinc/24/19/88/1195241988.db2.gz XNWZHWHMUFKDBO-UHFFFAOYSA-N 0 0 378.458 0.682 10 0 GCAERN O=C(c1cn2cccnc2n1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000518069281 1195246593 /nfs/dbraw/zinc/24/65/93/1195246593.db2.gz NLNSAMUREACDAL-UHFFFAOYSA-N 0 0 389.423 0.663 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)[C@H](C)C1 ZINC000506410218 1195260822 /nfs/dbraw/zinc/26/08/22/1195260822.db2.gz ZLZVVMNZSZAPFB-CJNGLKHVSA-N 0 0 375.473 0.517 10 0 GCAERN O=C(COCC(=O)N1CCNC(=O)C[C@H]1c1ccccc1)NCc1cccnc1 ZINC000518209577 1195267644 /nfs/dbraw/zinc/26/76/44/1195267644.db2.gz VMNRMNYZDWDJSG-SFHVURJKSA-N 0 0 396.447 0.804 10 0 GCAERN CC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)CC1 ZINC000506431094 1195268539 /nfs/dbraw/zinc/26/85/39/1195268539.db2.gz TWAIYERYMOGVHG-MRXNPFEDSA-N 0 0 375.473 0.518 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/nfs/dbraw/zinc/34/71/38/1195347138.db2.gz XPKJCBNDESOFAF-OAHLLOKOSA-N 0 0 384.488 0.414 10 0 GCAERN CC[C@H](C(=O)OC)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506675450 1195349704 /nfs/dbraw/zinc/34/97/04/1195349704.db2.gz JFDMSIHXKCORPV-CVEARBPZSA-N 0 0 377.489 0.793 10 0 GCAERN NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439808231 1195353806 /nfs/dbraw/zinc/35/38/06/1195353806.db2.gz HNNSPFWGAAETPX-MRXNPFEDSA-N 0 0 380.404 0.575 10 0 GCAERN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439822573 1195353933 /nfs/dbraw/zinc/35/39/33/1195353933.db2.gz KBTNEXDMJPOQAX-HZPDHXFCSA-N 0 0 391.424 0.299 10 0 GCAERN CC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000506709810 1195362648 /nfs/dbraw/zinc/36/26/48/1195362648.db2.gz HBALCEGTSAKGSL-UKRRQHHQSA-N 0 0 381.454 0.662 10 0 GCAERN COC[C@@H]1CN(C(=O)[C@H](CCC(N)=O)NC(=O)CCC2CCCC2)C[C@@H](C)O1 ZINC000439940278 1195367035 /nfs/dbraw/zinc/36/70/35/1195367035.db2.gz HMQRFPGQIYUAJY-PVAVHDDUSA-N 0 0 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1195424929 /nfs/dbraw/zinc/42/49/29/1195424929.db2.gz TTZRQBJQNOGRTN-AWEZNQCLSA-N 0 0 381.429 0.825 10 0 GCAERN CNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000473672423 1195436757 /nfs/dbraw/zinc/43/67/57/1195436757.db2.gz BNULMDKQQJECJO-CYBMUJFWSA-N 0 0 384.458 0.008 10 0 GCAERN Cc1nccc(N2CCN(C(=O)C(=O)NCc3nnc4n3CCCCC4)CC2)n1 ZINC000550108847 1195436989 /nfs/dbraw/zinc/43/69/89/1195436989.db2.gz MJGMVZZAJFZWGM-UHFFFAOYSA-N 0 0 398.471 0.068 10 0 GCAERN Cc1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c(OCC(=O)N(C)C)c1 ZINC000473682365 1195440434 /nfs/dbraw/zinc/44/04/34/1195440434.db2.gz YQFIVZNBWKZDJZ-HNNXBMFYSA-N 0 0 392.456 0.567 10 0 GCAERN CN(C)S(=O)(=O)c1ccc(C(=O)NCCCc2nnc3ccccn32)cn1 ZINC000473726662 1195449786 /nfs/dbraw/zinc/44/97/86/1195449786.db2.gz TZXALHHGSULLBL-UHFFFAOYSA-N 0 0 388.453 0.737 10 0 GCAERN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N(C)Cc2cc(C)on2)cc1 ZINC000550169169 1195452853 /nfs/dbraw/zinc/45/28/53/1195452853.db2.gz LMLLQFGNYDINKZ-GFCCVEGCSA-N 0 0 394.453 0.727 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1195580457 /nfs/dbraw/zinc/58/04/57/1195580457.db2.gz QPPFCJPGGLDCNX-UHFFFAOYSA-N 0 0 376.392 0.544 10 0 GCAERN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN(C)Cc1cnccn1 ZINC000440764183 1195581987 /nfs/dbraw/zinc/58/19/87/1195581987.db2.gz LQIICCPLHVYWKU-UHFFFAOYSA-N 0 0 398.510 0.633 10 0 GCAERN COc1c(F)cc(F)cc1NC(=O)C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000440761382 1195582170 /nfs/dbraw/zinc/58/21/70/1195582170.db2.gz NWLHBYAYKILJTP-UHFFFAOYSA-N 0 0 394.382 0.683 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccccc3OC(F)F)CC2)[nH]1 ZINC000440761745 1195582212 /nfs/dbraw/zinc/58/22/12/1195582212.db2.gz YBXYIQMYIGBHIF-UHFFFAOYSA-N 0 0 394.382 0.997 10 0 GCAERN CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1=O ZINC000440805496 1195584880 /nfs/dbraw/zinc/58/48/80/1195584880.db2.gz XZSVEDYKDONDER-UHFFFAOYSA-N 0 0 399.400 0.615 10 0 GCAERN CCc1cc(=O)[nH]c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 ZINC000188092620 1195585892 /nfs/dbraw/zinc/58/58/92/1195585892.db2.gz OWUXAYISPFIJSW-UHFFFAOYSA-N 0 0 376.442 0.262 10 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389.456 0.110 10 0 GCAERN CC[C@H](C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000442267851 1195968867 /nfs/dbraw/zinc/96/88/67/1195968867.db2.gz LFGBDYMJXWLKMP-XJKSGUPXSA-N 0 0 377.441 0.902 10 0 GCAERN CC(C)n1ncc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc21 ZINC000442269323 1195968950 /nfs/dbraw/zinc/96/89/50/1195968950.db2.gz FOLXYISTWWOSQA-HNNXBMFYSA-N 0 0 387.440 0.655 10 0 GCAERN CC1(C)Cc2cc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)ccc2O1 ZINC000442269309 1195969121 /nfs/dbraw/zinc/96/91/21/1195969121.db2.gz YGMOPIYNQUPRPA-AWEZNQCLSA-N 0 0 375.425 0.438 10 0 GCAERN COCCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442272357 1195969538 /nfs/dbraw/zinc/96/95/38/1195969538.db2.gz PUQCPEQGUGNOSF-OAHLLOKOSA-N 0 0 393.440 0.058 10 0 GCAERN O=C(N[C@H]1CCCN(CCO)C1=O)C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000442274133 1195970001 /nfs/dbraw/zinc/97/00/01/1195970001.db2.gz RRWBGIDZNJVLHL-AWEZNQCLSA-N 0 0 389.427 0.694 10 0 GCAERN O=C(N[C@@H]1CCCN(CCO)C1=O)C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000442274130 1195970031 /nfs/dbraw/zinc/97/00/31/1195970031.db2.gz RRIQKUVQDSSVBY-CYBMUJFWSA-N 0 0 399.369 0.694 10 0 GCAERN CC(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000442257244 1195970670 /nfs/dbraw/zinc/97/06/70/1195970670.db2.gz IIZVTUNBZLNVAQ-MRXNPFEDSA-N 0 0 377.441 0.759 10 0 GCAERN CC(C)(C)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442278092 1195970711 /nfs/dbraw/zinc/97/07/11/1195970711.db2.gz WSUDZFOMWMYVMC-CQSZACIVSA-N 0 0 377.441 0.902 10 0 GCAERN Cc1nc(CC(C)C)c(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)s1 ZINC000442296408 1195970721 /nfs/dbraw/zinc/97/07/21/1195970721.db2.gz MWCQTSSEZYJKLQ-LBPRGKRZSA-N 0 0 382.486 0.688 10 0 GCAERN O=C(Nc1ccnc(Oc2ccccc2)c1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442278465 1195970727 /nfs/dbraw/zinc/97/07/27/1195970727.db2.gz WYHAZSKUSIFYJN-INIZCTEOSA-N 0 0 398.419 0.912 10 0 GCAERN Cc1cccc(Cn2nccc2NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000442296470 1195970781 /nfs/dbraw/zinc/97/07/81/1195970781.db2.gz NDAMXJZPNKRQEQ-MRXNPFEDSA-N 0 0 399.451 0.278 10 0 GCAERN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c(F)c1 ZINC000442280652 1195971031 /nfs/dbraw/zinc/97/10/31/1195971031.db2.gz YUNVNGBPWOUXOK-OAHLLOKOSA-N 0 0 381.404 0.651 10 0 GCAERN CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000442278789 1195971109 /nfs/dbraw/zinc/97/11/09/1195971109.db2.gz UFGMVVREBNCENY-INIZCTEOSA-N 0 0 377.441 0.904 10 0 GCAERN O=C(Nc1ccc(Oc2ccncc2)cc1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442279298 1195971144 /nfs/dbraw/zinc/97/11/44/1195971144.db2.gz XMRHPRGEUHNHSI-QGZVFWFLSA-N 0 0 398.419 0.912 10 0 GCAERN CCCCCn1nc(C)cc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442282628 1195971436 /nfs/dbraw/zinc/97/14/36/1195971436.db2.gz INQWSLXWNFZTHJ-AWEZNQCLSA-N 0 0 379.461 0.420 10 0 GCAERN Cc1nc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2s1 ZINC000442281900 1195971709 /nfs/dbraw/zinc/97/17/09/1195971709.db2.gz YYCSLQFJDCSIRW-ZDUSSCGKSA-N 0 0 376.438 0.643 10 0 GCAERN CN(CCn1cccn1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000521170765 1195972093 /nfs/dbraw/zinc/97/20/93/1195972093.db2.gz XZRHZHUFYXMSAD-UHFFFAOYSA-N 0 0 398.510 0.988 10 0 GCAERN CC(C)COc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442290779 1195972803 /nfs/dbraw/zinc/97/28/03/1195972803.db2.gz BEWWJMPYAFYGPY-OAHLLOKOSA-N 0 0 377.441 0.759 10 0 GCAERN CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000442293064 1195973271 /nfs/dbraw/zinc/97/32/71/1195973271.db2.gz HKANMPRIPPQWAC-CQSZACIVSA-N 0 0 390.440 0.382 10 0 GCAERN COc1cccc(CCNC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)n1 ZINC000442334694 1195977220 /nfs/dbraw/zinc/97/72/20/1195977220.db2.gz MZSQCTWPLBPLGM-UHFFFAOYSA-N 0 0 386.408 0.642 10 0 GCAERN Cc1nc([C@@H]2COCCN2C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)no1 ZINC000366939669 1195982284 /nfs/dbraw/zinc/98/22/84/1195982284.db2.gz YZLVMRJXFOWFSW-AWEZNQCLSA-N 0 0 385.380 0.653 10 0 GCAERN CSc1nnnn1-c1cccc(NC(=O)C(=O)N(C)Cc2noc(C)n2)c1 ZINC000442405413 1195983426 /nfs/dbraw/zinc/98/34/26/1195983426.db2.gz KAJPZBNLYLQWNU-UHFFFAOYSA-N 0 0 388.413 0.673 10 0 GCAERN COC(=O)CCOc1ccc(NC(=O)C(=O)N(C)Cc2noc(C)n2)cc1 ZINC000442423978 1195985082 /nfs/dbraw/zinc/98/50/82/1195985082.db2.gz LXEIFNABHZPFHF-UHFFFAOYSA-N 0 0 376.369 0.917 10 0 GCAERN O=C(NCCNC(=O)[C@H]1CCCN1c1ncnc2ccccc21)c1cnccn1 ZINC000442483303 1195989574 /nfs/dbraw/zinc/98/95/74/1195989574.db2.gz NBGRZVNKBJMGPW-QGZVFWFLSA-N 0 0 391.435 0.935 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(OCC3CC3)CC2)c1 ZINC000442665097 1195999384 /nfs/dbraw/zinc/99/93/84/1195999384.db2.gz NZCQPIYNDFPIPA-UHFFFAOYSA-N 0 0 395.481 0.951 10 0 GCAERN COc1cccc(C[C@H](O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 ZINC000442960255 1196013338 /nfs/dbraw/zinc/01/33/38/1196013338.db2.gz BVNYJSBAGQGXRA-IBGZPJMESA-N 0 0 389.496 0.659 10 0 GCAERN COc1ccc(S(=O)(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)cn1 ZINC000442960880 1196013407 /nfs/dbraw/zinc/01/34/07/1196013407.db2.gz XLIFXZCPEXUGKH-UHFFFAOYSA-N 0 0 378.458 0.457 10 0 GCAERN NS(=O)(=O)C1CCN(C(=O)[C@H]2CCCN2c2ncnc3ccccc32)CC1 ZINC000442961734 1196013852 /nfs/dbraw/zinc/01/38/52/1196013852.db2.gz CPBFALXLQQXNCD-MRXNPFEDSA-N 0 0 389.481 0.878 10 0 GCAERN COC(=O)c1ccccc1S(=O)(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000443020350 1196015538 /nfs/dbraw/zinc/01/55/38/1196015538.db2.gz MGAXDIUWOAVVMI-UHFFFAOYSA-N 0 0 380.426 0.671 10 0 GCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)CCC1CCCC1 ZINC000443033163 1196016941 /nfs/dbraw/zinc/01/69/41/1196016941.db2.gz DKQMWWKIDPWIRG-MRRJBJDNSA-N 0 0 380.489 0.348 10 0 GCAERN COc1c(F)cc(CC(=O)N2CCOC[C@]23CCOC3)cc1S(N)(=O)=O ZINC000443040933 1196017339 /nfs/dbraw/zinc/01/73/39/1196017339.db2.gz WPDWKOQXZPNMPR-MRXNPFEDSA-N 0 0 388.417 0.042 10 0 GCAERN CCN([C@@H]1CCNC1=O)S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC ZINC000443076042 1196019000 /nfs/dbraw/zinc/01/90/00/1196019000.db2.gz HHTUWPLOOKGBAQ-SNVBAGLBSA-N 0 0 386.426 0.390 10 0 GCAERN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000521881762 1196022506 /nfs/dbraw/zinc/02/25/06/1196022506.db2.gz UAZIELOBKLUVOS-GOEBONIOSA-N 0 0 395.481 0.901 10 0 GCAERN CCN(C(=O)C(=O)Nc1cc(-c2cccc(OC)c2)nn1C)[C@H]1CCNC1=O ZINC000443244085 1196030341 /nfs/dbraw/zinc/03/03/41/1196030341.db2.gz DQWRNIOXRLDBTL-HNNXBMFYSA-N 0 0 385.424 0.771 10 0 GCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000443243227 1196030436 /nfs/dbraw/zinc/03/04/36/1196030436.db2.gz FGRSRRLEUYBHAB-YGRLFVJLSA-N 0 0 382.424 0.928 10 0 GCAERN CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCCO)cc1 ZINC000443355634 1196042039 /nfs/dbraw/zinc/04/20/39/1196042039.db2.gz ZCQDBEJXXPBNCZ-UHFFFAOYSA-N 0 0 385.486 0.790 10 0 GCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1ccc(-n2ccnc2)nn1 ZINC000522157810 1196047786 /nfs/dbraw/zinc/04/77/86/1196047786.db2.gz LKIBBXXFSSIGHM-UHFFFAOYSA-N 0 0 383.456 0.336 10 0 GCAERN Cn1c2ncn(CC(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)c2c(=O)n(C)c1=O ZINC000027834919 1196051547 /nfs/dbraw/zinc/05/15/47/1196051547.db2.gz XOFUEHOKMLUBCO-UWVGGRQHSA-N 0 0 387.362 0.671 10 0 GCAERN COCC(=O)Nc1cccc(CNC(=O)C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)c1 ZINC000550491070 1196054996 /nfs/dbraw/zinc/05/49/96/1196054996.db2.gz LFRZXQWHGRKSMF-LBPRGKRZSA-N 0 0 387.440 0.667 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCc2cn3ccsc3n2)CC1 ZINC000550518224 1196072174 /nfs/dbraw/zinc/07/21/74/1196072174.db2.gz WRDPQIGDLJWQNW-UHFFFAOYSA-N 0 0 393.469 0.108 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCCn2cccn2)CC1 ZINC000522305961 1196074638 /nfs/dbraw/zinc/07/46/38/1196074638.db2.gz PZDKRUQCDMJRCH-UHFFFAOYSA-N 0 0 392.485 0.323 10 0 GCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000550534393 1196079009 /nfs/dbraw/zinc/07/90/09/1196079009.db2.gz JFJPTAVFKMGCFC-QZTJIDSGSA-N 0 0 375.469 0.819 10 0 GCAERN O=C(NCc1cccc(Cn2ccnc2)c1)C(=O)N1CCSC[C@@H]1CCO ZINC000550549427 1196083598 /nfs/dbraw/zinc/08/35/98/1196083598.db2.gz DETMJJOISLMULG-KRWDZBQOSA-N 0 0 388.493 0.874 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000550548997 1196084019 /nfs/dbraw/zinc/08/40/19/1196084019.db2.gz YIZVQBAYRGYPQX-OAHLLOKOSA-N 0 0 383.452 0.627 10 0 GCAERN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1S(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000474140316 1196086897 /nfs/dbraw/zinc/08/68/97/1196086897.db2.gz YNQOEJNFGYOHJP-UONOGXRCSA-N 0 0 384.502 0.795 10 0 GCAERN CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2O1 ZINC000443694888 1196091103 /nfs/dbraw/zinc/09/11/03/1196091103.db2.gz URQFKCZAQLXUCE-DJJJIMSYSA-N 0 0 391.424 0.622 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)C1 ZINC000474195874 1196098331 /nfs/dbraw/zinc/09/83/31/1196098331.db2.gz ICXZMPYBELYRMN-KFWWJZLASA-N 0 0 383.493 0.363 10 0 GCAERN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)N[C@H]1CCc2n[nH]cc2C1 ZINC000114407143 1196098420 /nfs/dbraw/zinc/09/84/20/1196098420.db2.gz RIGURZVWDRYWRV-ORAYPTAESA-N 0 0 393.447 0.859 10 0 GCAERN Cc1noc(CN2CCN(CCN3CCN(Cc4nc(C)no4)CC3)CC2)n1 ZINC000114714384 1196109034 /nfs/dbraw/zinc/10/90/34/1196109034.db2.gz XYYYAWVCDPJIOU-UHFFFAOYSA-N 0 0 390.492 0.005 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)N[C@H](C)c2ncnn2C)c1OC ZINC000474374899 1196112892 /nfs/dbraw/zinc/11/28/92/1196112892.db2.gz JWPVQRCMYYDBKA-SECBINFHSA-N 0 0 384.414 0.658 10 0 GCAERN Cc1cc(C(=O)N2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)c(C)o1 ZINC000097207551 1196120966 /nfs/dbraw/zinc/12/09/66/1196120966.db2.gz LCORGGQVAZZUJX-UHFFFAOYSA-N 0 0 398.423 0.324 10 0 GCAERN CN(Cc1nnnn1C)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000467463515 1196124016 /nfs/dbraw/zinc/12/40/16/1196124016.db2.gz JYQCPHPEWFTDHG-CYBMUJFWSA-N 0 0 394.457 0.827 10 0 GCAERN COC(=O)COc1cccc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000474755525 1196147957 /nfs/dbraw/zinc/14/79/57/1196147957.db2.gz HLEBQLVJINWHPL-MRXNPFEDSA-N 0 0 376.409 0.748 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC([C@H]3CCCO3)CC2)c1 ZINC000443774964 1196150738 /nfs/dbraw/zinc/15/07/38/1196150738.db2.gz SSMFIPWEDOHHEB-MRXNPFEDSA-N 0 0 395.481 0.951 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000474836778 1196163440 /nfs/dbraw/zinc/16/34/40/1196163440.db2.gz CUKLAYHYPVGHHA-ZJNRKIDTSA-N 0 0 385.461 0.422 10 0 GCAERN CN1CCN(C(=O)CC2CCN(C(=O)C3(S(C)(=O)=O)CCCC3)CC2)CC1 ZINC000329217383 1196177220 /nfs/dbraw/zinc/17/72/20/1196177220.db2.gz QARXIAQHHVQUSJ-UHFFFAOYSA-N 0 0 399.557 0.747 10 0 GCAERN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(C2CC2)CC1 ZINC000329214786 1196177252 /nfs/dbraw/zinc/17/72/52/1196177252.db2.gz LQXHKOBBDLYQRG-ZDUSSCGKSA-N 0 0 378.498 0.392 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C[C@@H](C)C(=O)OC)CC1 ZINC000474868371 1196182925 /nfs/dbraw/zinc/18/29/25/1196182925.db2.gz LPVFRHVJWNHVCG-CYBMUJFWSA-N 0 0 383.470 0.443 10 0 GCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000329334705 1196186342 /nfs/dbraw/zinc/18/63/42/1196186342.db2.gz XLOPOHPXYAABOX-OALUTQOASA-N 0 0 387.480 0.802 10 0 GCAERN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329350922 1196187900 /nfs/dbraw/zinc/18/79/00/1196187900.db2.gz FGHONYHYBAFYLY-OAGGEKHMSA-N 0 0 385.530 0.355 10 0 GCAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)C1=O ZINC000329407773 1196192906 /nfs/dbraw/zinc/19/29/06/1196192906.db2.gz BEJGXOGYBJIMAZ-DNVCBOLYSA-N 0 0 378.473 0.625 10 0 GCAERN O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329410368 1196193267 /nfs/dbraw/zinc/19/32/67/1196193267.db2.gz DRPVEJUCRRGWNK-MOPGFXCFSA-N 0 0 393.528 0.975 10 0 GCAERN O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329410374 1196193488 /nfs/dbraw/zinc/19/34/88/1196193488.db2.gz DRPVEJUCRRGWNK-RTBURBONSA-N 0 0 393.528 0.975 10 0 GCAERN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000329419677 1196193844 /nfs/dbraw/zinc/19/38/44/1196193844.db2.gz GPQTZIBBARQSEJ-OLZOCXBDSA-N 0 0 376.438 0.885 10 0 GCAERN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000329419681 1196194058 /nfs/dbraw/zinc/19/40/58/1196194058.db2.gz GPQTZIBBARQSEJ-QWHCGFSZSA-N 0 0 376.438 0.885 10 0 GCAERN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329424851 1196194356 /nfs/dbraw/zinc/19/43/56/1196194356.db2.gz GDTAYTFGOJPKPF-CQSZACIVSA-N 0 0 376.457 0.916 10 0 GCAERN Cc1cc(C(=O)NC[C@H]2COc3ccccc3O2)nc2c1c(=O)n(C)c(=O)n2C ZINC000329431677 1196194882 /nfs/dbraw/zinc/19/48/82/1196194882.db2.gz KPAAMKLZHKOPOO-LBPRGKRZSA-N 0 0 396.403 0.510 10 0 GCAERN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000474913623 1196195201 /nfs/dbraw/zinc/19/52/01/1196195201.db2.gz DUKGTBPUKSPLPS-BLLLJJGKSA-N 0 0 399.451 0.577 10 0 GCAERN CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000474918910 1196196447 /nfs/dbraw/zinc/19/64/47/1196196447.db2.gz PSBCAHVYFNOUMC-MRXNPFEDSA-N 0 0 395.481 0.495 10 0 GCAERN Cc1nc(S(=O)(=O)NCC(=O)N2CCO[C@H](C3CCCCC3)C2)cn1C ZINC000329456485 1196197757 /nfs/dbraw/zinc/19/77/57/1196197757.db2.gz QCZASWAIDZXPNL-HNNXBMFYSA-N 0 0 384.502 0.815 10 0 GCAERN C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329596498 1196207691 /nfs/dbraw/zinc/20/76/91/1196207691.db2.gz 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390.436 0.805 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC12COC2 ZINC000452218363 1197046278 /nfs/dbraw/zinc/04/62/78/1197046278.db2.gz BKXWEWXIRQUTIB-AJNGGQMLSA-N 0 0 392.452 0.588 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)CN2C(=O)c3ccc(C)cc3C2=O)CC12COC2 ZINC000452220338 1197046574 /nfs/dbraw/zinc/04/65/74/1197046574.db2.gz HNSGGAHQXIJGMV-HNNXBMFYSA-N 0 0 386.404 0.629 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)CC12COC2 ZINC000452229709 1197047898 /nfs/dbraw/zinc/04/78/98/1197047898.db2.gz PTVPHCSAWAFYHI-AWEZNQCLSA-N 0 0 386.408 0.220 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)CN2CCN(c3ccccn3)CC2)CC12COC2 ZINC000452263991 1197048740 /nfs/dbraw/zinc/04/87/40/1197048740.db2.gz NHRCWSYFCBTXCE-INIZCTEOSA-N 0 0 388.468 0.242 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)CC12COC2 ZINC000452264368 1197048770 /nfs/dbraw/zinc/04/87/70/1197048770.db2.gz ODQUHLUCSWTJKI-UONOGXRCSA-N 0 0 388.486 0.085 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cn(C)nc2-c2cnn(CC)c2)CC12COC2 ZINC000452264524 1197048907 /nfs/dbraw/zinc/04/89/07/1197048907.db2.gz OKXJHJZKWKYBCH-HNNXBMFYSA-N 0 0 387.440 0.955 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)CC12COC2 ZINC000452270265 1197049240 /nfs/dbraw/zinc/04/92/40/1197049240.db2.gz ZFNOLRMUUABYLC-OAHLLOKOSA-N 0 0 396.465 0.639 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(-n3cnnn3)c2)CC12COC2 ZINC000452265696 1197049445 /nfs/dbraw/zinc/04/94/45/1197049445.db2.gz QRJHOWXVCPJDNK-ZDUSSCGKSA-N 0 0 387.396 0.323 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)c2c(C)nn(C)c2-n2cc(C)cn2)CC12COC2 ZINC000452269897 1197049986 /nfs/dbraw/zinc/04/99/86/1197049986.db2.gz YHPRYLVQLSEEQP-AWEZNQCLSA-N 0 0 387.440 0.874 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)c3cnn4c3[nH]c(=O)c3ccccc34)CC2)[nH]1 ZINC000531359042 1197069091 /nfs/dbraw/zinc/06/90/91/1197069091.db2.gz LHVZZMRQJOOJJR-UHFFFAOYSA-N 0 0 392.423 0.560 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)Sc2nnnn2C2CC2)CC12COC2 ZINC000452610390 1197070434 /nfs/dbraw/zinc/07/04/34/1197070434.db2.gz FFZABIVPZSQQJP-JQWIXIFHSA-N 0 0 381.458 0.527 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@H](C)Sc2nnnn2C2CC2)CC12COC2 ZINC000452610392 1197070825 /nfs/dbraw/zinc/07/08/25/1197070825.db2.gz FFZABIVPZSQQJP-ZYHUDNBSSA-N 0 0 381.458 0.527 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(OCCO)c2)CC12COC2 ZINC000452610066 1197070846 /nfs/dbraw/zinc/07/08/46/1197070846.db2.gz DENMINMNNYHUAX-CQSZACIVSA-N 0 0 379.409 0.718 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)c2c(C)nn(C)c2-n2ccnc2C)CC12COC2 ZINC000452617636 1197072999 /nfs/dbraw/zinc/07/29/99/1197072999.db2.gz UVYCINGDCVILJL-CQSZACIVSA-N 0 0 387.440 0.874 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@](O)(C(F)F)C2)cc1 ZINC000452685541 1197074927 /nfs/dbraw/zinc/07/49/27/1197074927.db2.gz OXKSRPYIDVQKON-INIZCTEOSA-N 0 0 390.408 0.786 10 0 GCAERN CCS(=O)(=O)NCCNC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 ZINC000123147144 1197080395 /nfs/dbraw/zinc/08/03/95/1197080395.db2.gz GJRBDMCQNVQMBY-SNVBAGLBSA-N 0 0 394.419 0.964 10 0 GCAERN O=C(NCCCO[C@H]1CCOC1)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000531544773 1197083611 /nfs/dbraw/zinc/08/36/11/1197083611.db2.gz JEOHINKAIWTWAW-KRWDZBQOSA-N 0 0 377.441 0.774 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)NCCOc2ccc(C(=O)OC)cc2)C1 ZINC000531607010 1197086148 /nfs/dbraw/zinc/08/61/48/1197086148.db2.gz SSSCRLAWTRTKMN-AWEZNQCLSA-N 0 0 378.429 0.955 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)C1 ZINC000531617577 1197088035 /nfs/dbraw/zinc/08/80/35/1197088035.db2.gz UVAACDABAYVORP-CQSZACIVSA-N 0 0 385.424 0.991 10 0 GCAERN CC(=O)N1CCN(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)[C@H](C)C1 ZINC000531679735 1197092548 /nfs/dbraw/zinc/09/25/48/1197092548.db2.gz SLZNNPHCZKOYRR-OAHLLOKOSA-N 0 0 388.468 0.921 10 0 GCAERN C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC(=O)N1 ZINC000453048035 1197094145 /nfs/dbraw/zinc/09/41/45/1197094145.db2.gz UEWPAEZBLFUEOW-SNVBAGLBSA-N 0 0 380.401 0.915 10 0 GCAERN COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)Cc2cc(C)n[nH]2)c2ccccc2O1 ZINC000531763207 1197096122 /nfs/dbraw/zinc/09/61/22/1197096122.db2.gz UKTOXEVRMQJDMP-BZNIZROVSA-N 0 0 386.408 0.733 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)Nc2ccccc2CN2C(=O)CNC2=O)C1 ZINC000531877061 1197102069 /nfs/dbraw/zinc/10/20/69/1197102069.db2.gz JLMVYVWKOKZVSR-CYBMUJFWSA-N 0 0 388.428 0.664 10 0 GCAERN CC(=O)N1CCN(CC(=O)NCc2ccccc2CN2CCOCC2)[C@@H](C)C1 ZINC000531912209 1197104025 /nfs/dbraw/zinc/10/40/25/1197104025.db2.gz BELWTRCUGJMTRR-KRWDZBQOSA-N 0 0 388.512 0.688 10 0 GCAERN CC(=O)N1CCN(c2ccccc2CNC(=O)CNC(=O)c2cccnc2)CC1 ZINC000531954858 1197105151 /nfs/dbraw/zinc/10/51/51/1197105151.db2.gz PHIQJLALMCIAAJ-UHFFFAOYSA-N 0 0 395.463 0.796 10 0 GCAERN CSC[C@H](C(=O)N(C)Cc1nnnn1C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000532068458 1197109552 /nfs/dbraw/zinc/10/95/52/1197109552.db2.gz QDYPSDPOLWRSAU-SDDRHHMPSA-N 0 0 380.474 0.075 10 0 GCAERN Cc1noc(CN2CCN(C(=O)N[C@H]3CCCC[C@H]3N3CCOCC3)CC2)n1 ZINC000532172836 1197120433 /nfs/dbraw/zinc/12/04/33/1197120433.db2.gz 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CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)cnc1OCC ZINC000453738212 1197127594 /nfs/dbraw/zinc/12/75/94/1197127594.db2.gz MPCRLOALPQOFHR-VXGBXAGGSA-N 0 0 394.428 0.300 10 0 GCAERN CN(Cc1nnnn1C)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000532229064 1197128330 /nfs/dbraw/zinc/12/83/30/1197128330.db2.gz BSPXCFHCQLIVLP-UHFFFAOYSA-N 0 0 392.895 0.827 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2scnc2C2CC2)CC12COC2 ZINC000453798027 1197133712 /nfs/dbraw/zinc/13/37/12/1197133712.db2.gz ISVJDYYHRAKSSN-LLVKDONJSA-N 0 0 379.438 0.997 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(C)C)c2C)CC12COC2 ZINC000453799611 1197134143 /nfs/dbraw/zinc/13/41/43/1197134143.db2.gz KBNIXWGMPYVTEV-AWEZNQCLSA-N 0 0 392.456 0.824 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)ncn3C)CC12COC2 ZINC000453809464 1197134165 /nfs/dbraw/zinc/13/41/65/1197134165.db2.gz YUIIQJMOMBFEAZ-ZDUSSCGKSA-N 0 0 386.408 0.550 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCc3cc(F)ccc32)CC12COC2 ZINC000453801512 1197137321 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1197190995 /nfs/dbraw/zinc/19/09/95/1197190995.db2.gz WSMXRMLODJZOPQ-CYBMUJFWSA-N 0 0 395.485 0.971 10 0 GCAERN O=C(NCc1ccc(Cn2ccccc2=O)cc1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000177348543 1197191059 /nfs/dbraw/zinc/19/10/59/1197191059.db2.gz PZCGSFIJBRGSAL-QGZVFWFLSA-N 0 0 381.436 0.816 10 0 GCAERN Cn1cc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3)CC2=O)cn1 ZINC000177835159 1197192528 /nfs/dbraw/zinc/19/25/28/1197192528.db2.gz KHECQOPQDSENKX-KRWDZBQOSA-N 0 0 381.436 0.900 10 0 GCAERN CCn1c(N)c(C(=O)CN2CCC[C@H](c3nncn3C3CC3)C2)c(=O)[nH]c1=O ZINC000180858698 1197202393 /nfs/dbraw/zinc/20/23/93/1197202393.db2.gz RPWCCTMMMBQPCY-NSHDSACASA-N 0 0 387.444 0.127 10 0 GCAERN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181337164 1197204437 /nfs/dbraw/zinc/20/44/37/1197204437.db2.gz FLCUEIZKHABJFR-CQSZACIVSA-N 0 0 380.408 0.728 10 0 GCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCc1nnc2n1CCCC2 ZINC000182097385 1197206015 /nfs/dbraw/zinc/20/60/15/1197206015.db2.gz YSOBFPURFAAIOD-LBPRGKRZSA-N 0 0 395.460 0.779 10 0 GCAERN CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000183083711 1197208842 /nfs/dbraw/zinc/20/88/42/1197208842.db2.gz BDVYJPPBMRMTFE-QGZVFWFLSA-N 0 0 377.537 0.668 10 0 GCAERN CS(=O)(=O)N1CCc2cc(C(=O)NCCc3nnc4n3CCCC4)ccc21 ZINC000184120427 1197210367 /nfs/dbraw/zinc/21/03/67/1197210367.db2.gz MMQIPUVMPOTLLC-UHFFFAOYSA-N 0 0 389.481 0.909 10 0 GCAERN CN(CC(=O)NC(C)(C)C)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000024075667 1197228372 /nfs/dbraw/zinc/22/83/72/1197228372.db2.gz VZBCTAIMWLNHEE-UHFFFAOYSA-N 0 0 386.452 0.431 10 0 GCAERN CNS(=O)(=O)CCNC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000187520794 1197231173 /nfs/dbraw/zinc/23/11/73/1197231173.db2.gz DUQSRBWHELTRFB-LBPRGKRZSA-N 0 0 390.456 0.778 10 0 GCAERN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000055982509 1197231387 /nfs/dbraw/zinc/23/13/87/1197231387.db2.gz PGMOZBJSSVRMSV-ZDUSSCGKSA-N 0 0 390.465 0.482 10 0 GCAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cc(C5CC5)[nH]n4)CC3)cc2[nH]1 ZINC000187992291 1197232130 /nfs/dbraw/zinc/23/21/30/1197232130.db2.gz YWSBGBSXNBGUGW-UHFFFAOYSA-N 0 0 388.453 0.968 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1Cc2cnnn2Cc2ccccc21 ZINC000189036862 1197235236 /nfs/dbraw/zinc/23/52/36/1197235236.db2.gz POEBRUCCPFVSSE-UHFFFAOYSA-N 0 0 388.387 0.876 10 0 GCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189426595 1197236803 /nfs/dbraw/zinc/23/68/03/1197236803.db2.gz OCFHTDNICSZXMG-UHFFFAOYSA-N 0 0 384.440 0.582 10 0 GCAERN COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCc2cnc(C)s2)CC1 ZINC000508644671 1197237522 /nfs/dbraw/zinc/23/75/22/1197237522.db2.gz GEDQJGSCRGVKKO-ZDUSSCGKSA-N 0 0 383.518 0.820 10 0 GCAERN C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189681701 1197237977 /nfs/dbraw/zinc/23/79/77/1197237977.db2.gz CLSJPWKDGNZNOO-GXTWGEPZSA-N 0 0 381.502 0.101 10 0 GCAERN Cc1c(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c(=O)n(-c2ccccc2)n1C ZINC000189793962 1197238436 /nfs/dbraw/zinc/23/84/36/1197238436.db2.gz CVBMHGQEETZDPI-UHFFFAOYSA-N 0 0 383.452 0.730 10 0 GCAERN CCc1nc(C2CCN([C@@H](C)C(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)CC2)n[nH]1 ZINC000190660305 1197241571 /nfs/dbraw/zinc/24/15/71/1197241571.db2.gz RYSWFDSZKZQPRT-DZGCQCFKSA-N 0 0 397.545 0.971 10 0 GCAERN COCCN1CCCN(CC(=O)NCCc2cnn(-c3ccccc3)c2)CC1=O ZINC000190786385 1197241930 /nfs/dbraw/zinc/24/19/30/1197241930.db2.gz PVPWEJIAWXOMAN-UHFFFAOYSA-N 0 0 399.495 0.712 10 0 GCAERN COC[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2cccc(OC)c2)nn1C ZINC000536504492 1197241960 /nfs/dbraw/zinc/24/19/60/1197241960.db2.gz TXHFPSQJFDGLHR-GOSISDBHSA-N 0 0 376.413 0.548 10 0 GCAERN COCCN1CCCN([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1=O ZINC000190764187 1197242329 /nfs/dbraw/zinc/24/23/29/1197242329.db2.gz RQXHMXBBGHJIHY-SFHVURJKSA-N 0 0 388.512 0.904 10 0 GCAERN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000192213257 1197246370 /nfs/dbraw/zinc/24/63/70/1197246370.db2.gz VKDWHMQSEGAMGO-BBRMVZONSA-N 0 0 385.399 0.819 10 0 GCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1nnc2n1CCCC2 ZINC000192906563 1197248429 /nfs/dbraw/zinc/24/84/29/1197248429.db2.gz BWTZBFVXPHXORG-NSHDSACASA-N 0 0 381.433 0.737 10 0 GCAERN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2cccnn2)CC1 ZINC000170649305 1197254820 /nfs/dbraw/zinc/25/48/20/1197254820.db2.gz WYKRHIKERUUTJB-MRXNPFEDSA-N 0 0 382.472 0.126 10 0 GCAERN Cc1occc1C(=O)NC1CCN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000170777572 1197255764 /nfs/dbraw/zinc/25/57/64/1197255764.db2.gz SELGWWTWSGKYTP-ZDUSSCGKSA-N 0 0 390.484 0.908 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCC(=O)NCCc2nc3ccccc3s2)C1 ZINC000909671159 1197258801 /nfs/dbraw/zinc/25/88/01/1197258801.db2.gz IJNRUIWYQFOWFA-CQSZACIVSA-N 0 0 391.449 0.746 10 0 GCAERN CC(=O)N1CCN(CCNC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)CC1 ZINC000666399656 1197272581 /nfs/dbraw/zinc/27/25/81/1197272581.db2.gz REBPJTGRDQTZBR-UONOGXRCSA-N 0 0 381.395 0.251 10 0 GCAERN CN(C)C(=O)Cn1cnc(NC(=O)NCc2ccc(Cn3ccnc3)cc2)n1 ZINC000475840827 1197282345 /nfs/dbraw/zinc/28/23/45/1197282345.db2.gz NKRJHLXWBSSMPU-UHFFFAOYSA-N 0 0 382.428 0.933 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000909673463 1197284036 /nfs/dbraw/zinc/28/40/36/1197284036.db2.gz XXFDZAZWNLVESR-INIZCTEOSA-N 0 0 395.481 0.183 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000909673370 1197285182 /nfs/dbraw/zinc/28/51/82/1197285182.db2.gz WFZCMVRSGFNQEI-CRAIPNDOSA-N 0 0 389.452 0.514 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)O[C@H](C)C(=O)NCCOc2cccc(C)c2)C1 ZINC000909674168 1197286457 /nfs/dbraw/zinc/28/64/57/1197286457.db2.gz PHFPLTGZFMKOJY-RHSMWYFYSA-N 0 0 378.425 0.669 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000909675830 1197291020 /nfs/dbraw/zinc/29/10/20/1197291020.db2.gz QKVHAPFEGKUJCS-BDJLRTHQSA-N 0 0 384.379 0.803 10 0 GCAERN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000171107717 1197312436 /nfs/dbraw/zinc/31/24/36/1197312436.db2.gz FKQNKPQPQRQHKW-OAHLLOKOSA-N 0 0 390.484 0.753 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)c1 ZINC000454065494 1197318896 /nfs/dbraw/zinc/31/88/96/1197318896.db2.gz FOFKNLUGNBCUMU-KGLIPLIRSA-N 0 0 381.454 0.417 10 0 GCAERN Cn1c2[nH]c(CN3CCC(C(=O)N4CCCCC4)CC3)nc2c(=O)n(C)c1=O ZINC000101546371 1197323501 /nfs/dbraw/zinc/32/35/01/1197323501.db2.gz UYWGQSSHCCAXNE-UHFFFAOYSA-N 0 0 388.472 0.185 10 0 GCAERN Cn1c2[nH]c(CCC(=O)N3CCO[C@@H](c4ccsc4)C3)nc2c(=O)[nH]c1=O ZINC000120170314 1197341479 /nfs/dbraw/zinc/34/14/79/1197341479.db2.gz RIQWUINHWIKXBZ-LLVKDONJSA-N 0 0 389.437 0.544 10 0 GCAERN CN1C[C@H](NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CCC1=O ZINC000332858176 1197345243 /nfs/dbraw/zinc/34/52/43/1197345243.db2.gz JKPTXKSGKPFFKG-KZULUSFZSA-N 0 0 384.436 0.199 10 0 GCAERN C[C@@H]1CN(c2ccc(CNC(=O)N3CCN4C(=O)NC[C@H]4C3)cn2)C[C@H](C)O1 ZINC000332938233 1197347339 /nfs/dbraw/zinc/34/73/39/1197347339.db2.gz YFNMHCRGEBNECR-LZWOXQAQSA-N 0 0 388.472 0.614 10 0 GCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000332948251 1197347742 /nfs/dbraw/zinc/34/77/42/1197347742.db2.gz RPSVYVKRSSMGAM-HOTGVXAUSA-N 0 0 395.525 0.974 10 0 GCAERN COc1cccc(-c2cc(NC(=O)CN3CCS(=O)(=O)CC3)n(C)n2)c1 ZINC000536508886 1197350641 /nfs/dbraw/zinc/35/06/41/1197350641.db2.gz WNEIEPFMKKEVBI-UHFFFAOYSA-N 0 0 378.454 0.765 10 0 GCAERN COc1ccc(NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1CO ZINC000536520476 1197351973 /nfs/dbraw/zinc/35/19/73/1197351973.db2.gz POMCXBJWKZQFLD-UHFFFAOYSA-N 0 0 382.442 0.537 10 0 GCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000124197364 1197352429 /nfs/dbraw/zinc/35/24/29/1197352429.db2.gz NADBBXSEZPMFGL-INIZCTEOSA-N 0 0 386.496 0.960 10 0 GCAERN COc1ccc(NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1CO ZINC000536522094 1197352464 /nfs/dbraw/zinc/35/24/64/1197352464.db2.gz WRRFBAKNHLKUHE-UHFFFAOYSA-N 0 0 378.406 0.699 10 0 GCAERN CNC(=O)COc1cccc(CC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000124597878 1197353116 /nfs/dbraw/zinc/35/31/16/1197353116.db2.gz KINKFPDCVGAGCU-MRXNPFEDSA-N 0 0 385.468 0.873 10 0 GCAERN CSC[C@H](C(=O)N1CC[C@@H](NC(N)=O)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000536529139 1197353248 /nfs/dbraw/zinc/35/32/48/1197353248.db2.gz XKVXQETYDFXKPI-FVCCEPFGSA-N 0 0 382.486 0.162 10 0 GCAERN COCCc1cc(NC(=O)C(=O)N2CCCN(CC(F)(F)F)CC2)n(C)n1 ZINC000125806977 1197356230 /nfs/dbraw/zinc/35/62/30/1197356230.db2.gz UMWDQVKCVMHTCY-UHFFFAOYSA-N 0 0 391.394 0.644 10 0 GCAERN CNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)C1 ZINC000536545873 1197356945 /nfs/dbraw/zinc/35/69/45/1197356945.db2.gz FPZBZBOJWJMJPV-ZDUSSCGKSA-N 0 0 378.458 0.351 10 0 GCAERN C[C@H](NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)[C@H]1COc2ccccc21 ZINC000126363275 1197357297 /nfs/dbraw/zinc/35/72/97/1197357297.db2.gz UJQIKOWORPCREV-CMPLNLGQSA-N 0 0 383.408 0.563 10 0 GCAERN C[C@@H](NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)[C@H]1COc2ccccc21 ZINC000126363533 1197357730 /nfs/dbraw/zinc/35/77/30/1197357730.db2.gz UJQIKOWORPCREV-ZYHUDNBSSA-N 0 0 383.408 0.563 10 0 GCAERN Cc1cccc(-c2noc(C[S@](=O)CC(=O)N[C@@H](C)C(=O)N(C)C)n2)c1 ZINC000127810032 1197362262 /nfs/dbraw/zinc/36/22/62/1197362262.db2.gz AKQQXHVWGGDWIV-QDXKXIGTSA-N 0 0 378.454 0.887 10 0 GCAERN Cc1cccc(-c2noc(C[S@](=O)CC(=O)N[C@H](C)C(=O)N(C)C)n2)c1 ZINC000127810461 1197362302 /nfs/dbraw/zinc/36/23/02/1197362302.db2.gz AKQQXHVWGGDWIV-RYZVSIALSA-N 0 0 378.454 0.887 10 0 GCAERN O=C(CN1CCN(C(=O)NCc2cccnc2-n2ccnc2)CC1)N1CCCC1 ZINC000046099695 1197362585 /nfs/dbraw/zinc/36/25/85/1197362585.db2.gz LKHXHQCJCYCUFR-UHFFFAOYSA-N 0 0 397.483 0.717 10 0 GCAERN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccn(C)n3)CC2)cc1 ZINC000536573286 1197364552 /nfs/dbraw/zinc/36/45/52/1197364552.db2.gz PQAAKBQQHYCSCM-UHFFFAOYSA-N 0 0 391.497 0.351 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC12COC2 ZINC000454258184 1197382806 /nfs/dbraw/zinc/38/28/06/1197382806.db2.gz BNGBJCXAUUOWID-GFCCVEGCSA-N 0 0 383.426 0.529 10 0 GCAERN CS(=O)(=O)N1CCCN(CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000051534955 1197383280 /nfs/dbraw/zinc/38/32/80/1197383280.db2.gz SUXAMKAWZPAPDX-UHFFFAOYSA-N 0 0 380.514 0.133 10 0 GCAERN NS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)cc1 ZINC000134566701 1197385748 /nfs/dbraw/zinc/38/57/48/1197385748.db2.gz UVKWOBYJCMBQPR-HNNXBMFYSA-N 0 0 389.481 0.826 10 0 GCAERN CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)nn1 ZINC000134800419 1197386440 /nfs/dbraw/zinc/38/64/40/1197386440.db2.gz KZNPKNQVWZHYBP-LLVKDONJSA-N 0 0 377.836 0.423 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2ccc(N3CCOCC3)cn2)CC12COC2 ZINC000454270968 1197388923 /nfs/dbraw/zinc/38/89/23/1197388923.db2.gz SCLBWHPHQITHKX-HNNXBMFYSA-N 0 0 390.440 0.962 10 0 GCAERN CN(CCc1ccc(F)cc1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000055371543 1197390718 /nfs/dbraw/zinc/39/07/18/1197390718.db2.gz FQEGXZLQFJVUQM-GOEBONIOSA-N 0 0 382.457 0.862 10 0 GCAERN O=C(CN1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1)NC1CCCCC1 ZINC000532699384 1197390770 /nfs/dbraw/zinc/39/07/70/1197390770.db2.gz KUWSPUYFBQGKSF-OALUTQOASA-N 0 0 383.533 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ZINC000532816691 1197414344 /nfs/dbraw/zinc/41/43/44/1197414344.db2.gz KDEDBYQGGLBJRB-SNVBAGLBSA-N 0 0 393.469 0.761 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2ccc(OCC(N)=O)cc2)CC12COC2 ZINC000454425529 1197414366 /nfs/dbraw/zinc/41/43/66/1197414366.db2.gz IHAJWUXNBQXKIF-CQSZACIVSA-N 0 0 377.397 0.594 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000532838032 1197414871 /nfs/dbraw/zinc/41/48/71/1197414871.db2.gz LLPWRVISWXUAQT-ZNMIVQPWSA-N 0 0 393.465 0.607 10 0 GCAERN CCN1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245615931 1197415306 /nfs/dbraw/zinc/41/53/06/1197415306.db2.gz VDVJSCBJZQEOOV-MAUKXSAKSA-N 0 0 398.866 0.983 10 0 GCAERN Cn1cc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cn1 ZINC000532859012 1197416737 /nfs/dbraw/zinc/41/67/37/1197416737.db2.gz UBRKDJCBWJPZPR-UHFFFAOYSA-N 0 0 398.510 0.824 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)NCCNC(=O)c2ccc(C)cc2)CC12COC2 ZINC000454498270 1197417551 /nfs/dbraw/zinc/41/75/51/1197417551.db2.gz 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CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H](CO)Cc1ccc(C)c(C)c1 ZINC000454883244 1197436121 /nfs/dbraw/zinc/43/61/21/1197436121.db2.gz XTQRRJKQRSFEMJ-ZOBUZTSGSA-N 0 0 393.484 0.962 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2ccc(-c3cnn(C)c3)nn2)CC12COC2 ZINC000455297463 1197455613 /nfs/dbraw/zinc/45/56/13/1197455613.db2.gz AJEMNLQJJIOYLW-CYBMUJFWSA-N 0 0 386.412 0.921 10 0 GCAERN CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)C1 ZINC000533541126 1197456916 /nfs/dbraw/zinc/45/69/16/1197456916.db2.gz FXAUSKJTICWDFN-QAPCUYQASA-N 0 0 379.482 0.831 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000909677013 1197456959 /nfs/dbraw/zinc/45/69/59/1197456959.db2.gz YCFDXNUBVGAMSM-INIZCTEOSA-N 0 0 395.481 0.183 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2nc3cc(Cl)ccn3n2)CC12COC2 ZINC000455453855 1197461615 /nfs/dbraw/zinc/46/16/15/1197461615.db2.gz KOCXJLGUZNYHIP-LLVKDONJSA-N 0 0 379.804 1.426 10 0 GCAERN Cn1cc(C(=O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cn1 ZINC000533652297 1197463835 /nfs/dbraw/zinc/46/38/35/1197463835.db2.gz BTXJOVPMAWEUSL-UHFFFAOYSA-N 0 0 390.465 0.845 10 0 GCAERN CCN1CCO[C@@H](C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)C1 ZINC000533686533 1197466927 /nfs/dbraw/zinc/46/69/27/1197466927.db2.gz UBYVNAXZYGSVNJ-GOSISDBHSA-N 0 0 395.525 0.949 10 0 GCAERN Cc1cc(C)n2nc(C(=O)N3CCC(CC(=O)N4CCN(C)CC4)CC3)nc2n1 ZINC000066858900 1197467400 /nfs/dbraw/zinc/46/74/00/1197467400.db2.gz RHUPEOVEXPQFEG-UHFFFAOYSA-N 0 0 399.499 0.757 10 0 GCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000066858751 1197467475 /nfs/dbraw/zinc/46/74/75/1197467475.db2.gz SKQRJUNRURDZHP-HNNXBMFYSA-N 0 0 390.484 0.801 10 0 GCAERN CC(C)[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)C ZINC000729697177 1197472100 /nfs/dbraw/zinc/47/21/00/1197472100.db2.gz WHHLNMXNYFGTKT-MRXNPFEDSA-N 0 0 398.481 0.977 10 0 GCAERN COc1cc(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)cc(OC)c1OCC(N)=O ZINC000729697734 1197472104 /nfs/dbraw/zinc/47/21/04/1197472104.db2.gz CCVBCAWUSVQHER-OAHLLOKOSA-N 0 0 382.413 0.838 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ZINC000508724452 1197566767 /nfs/dbraw/zinc/56/67/67/1197566767.db2.gz RUZZFXPMBAFWGS-AWEZNQCLSA-N 0 0 377.470 0.406 10 0 GCAERN O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cccc(O)c1 ZINC000508771317 1197574361 /nfs/dbraw/zinc/57/43/61/1197574361.db2.gz XNTPBMWETWLPCX-UHFFFAOYSA-N 0 0 375.406 0.765 10 0 GCAERN Cc1cc(NC(=O)NC[C@H](O)Cn2ccnn2)nn1-c1ccc(F)cc1F ZINC000459580420 1197583985 /nfs/dbraw/zinc/58/39/85/1197583985.db2.gz LWOARZUGGZEATO-LBPRGKRZSA-N 0 0 377.355 1.233 10 0 GCAERN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000671993683 1198960733 /nfs/dbraw/zinc/96/07/33/1198960733.db2.gz LJQGIMIBUOCENJ-DLBZAZTESA-N 0 0 378.517 0.981 10 0 GCAERN Cc1ccc(C(=O)N2CCN([C@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)s1 ZINC000055929005 1198997824 /nfs/dbraw/zinc/99/78/24/1198997824.db2.gz YGZOIIXTMYGBPN-CQSZACIVSA-N 0 0 392.525 0.940 10 0 GCAERN O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCN2CCOC[C@H]2C1 ZINC000542760810 1199027959 /nfs/dbraw/zinc/02/79/59/1199027959.db2.gz OTOKNLSHPZVWMP-GOSISDBHSA-N 0 0 388.468 0.385 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000672046905 1199030873 /nfs/dbraw/zinc/03/08/73/1199030873.db2.gz QKRORETZLJDNAL-LIRRHRJNSA-N 0 0 384.392 0.499 10 0 GCAERN O=C(COC1CCOCC1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000542783631 1199041334 /nfs/dbraw/zinc/04/13/34/1199041334.db2.gz OZWBTNZZDSFHIF-UHFFFAOYSA-N 0 0 380.466 0.785 10 0 GCAERN Cn1ccc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)n1 ZINC000765887118 1199052490 /nfs/dbraw/zinc/05/24/90/1199052490.db2.gz CRHGHWUDUDCTRK-UHFFFAOYSA-N 0 0 390.831 0.265 10 0 GCAERN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cncnc4C)CC3)C2=O)n(C)n1 ZINC000542814260 1199062956 /nfs/dbraw/zinc/06/29/56/1199062956.db2.gz ULKBEOSJWGNSFX-QGZVFWFLSA-N 0 0 397.483 0.780 10 0 GCAERN O=C(Cc1cccc(F)c1)NCCNC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000465787712 1199066657 /nfs/dbraw/zinc/06/66/57/1199066657.db2.gz VEMJRXOEFZEEMW-IBGZPJMESA-N 0 0 376.432 0.796 10 0 GCAERN C[C@H](O)C1CCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000269791414 1199131765 /nfs/dbraw/zinc/13/17/65/1199131765.db2.gz MZEAOGBWAZNOTQ-AWEZNQCLSA-N 0 0 382.482 0.941 10 0 GCAERN Cc1c(C(=O)N2CCC(CNS(C)(=O)=O)CC2)cnn1-c1ccccn1 ZINC000672143379 1199135320 /nfs/dbraw/zinc/13/53/20/1199135320.db2.gz WMGHWSGEEUUGIQ-UHFFFAOYSA-N 0 0 377.470 0.977 10 0 GCAERN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c1 ZINC000465859749 1199139331 /nfs/dbraw/zinc/13/93/31/1199139331.db2.gz WKAIRSDBUJHGIT-FZKQIMNGSA-N 0 0 394.497 0.967 10 0 GCAERN COC(=O)[C@H](C1CC1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000542914811 1199154480 /nfs/dbraw/zinc/15/44/80/1199154480.db2.gz NXBLWSFVZHZXPI-HNNXBMFYSA-N 0 0 378.454 0.821 10 0 GCAERN O=C([C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCN(C2CC2)CC1 ZINC000172714849 1199158459 /nfs/dbraw/zinc/15/84/59/1199158459.db2.gz FXPUYULPGGHQEM-SFHVURJKSA-N 0 0 397.479 0.431 10 0 GCAERN C[C@@H](CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccncc1 ZINC000672231414 1199166863 /nfs/dbraw/zinc/16/68/63/1199166863.db2.gz 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O=C(NCc1nnnn1CC1CC1)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000556562046 530185410 /nfs/dbraw/zinc/18/54/10/530185410.db2.gz YPURHTOHEZQRCV-UHFFFAOYSA-N 0 0 375.336 0.813 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000588633009 530224851 /nfs/dbraw/zinc/22/48/51/530224851.db2.gz WSIRTWHOSJOWPI-UHFFFAOYSA-N 0 0 389.499 0.300 10 0 GCAERN COc1cc(F)c(S(=O)(=O)NCCCN2CCCS2(=O)=O)c(F)c1 ZINC000588684087 530225491 /nfs/dbraw/zinc/22/54/91/530225491.db2.gz VFCUBLHKHJVZPL-UHFFFAOYSA-N 0 0 384.426 0.677 10 0 GCAERN CCC(=O)N1CSC[C@@H]1C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000328915027 530228755 /nfs/dbraw/zinc/22/87/55/530228755.db2.gz QOSOBDNPFCUDPI-HZSPNIEDSA-N 0 0 390.527 0.493 10 0 GCAERN CCC(=O)N1CSC[C@@H]1C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000328915028 530229011 /nfs/dbraw/zinc/22/90/11/530229011.db2.gz QOSOBDNPFCUDPI-MELADBBJSA-N 0 0 390.527 0.493 10 0 GCAERN CCC(=O)N1CSC[C@@H]1C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000328915029 530229058 /nfs/dbraw/zinc/22/90/58/530229058.db2.gz QOSOBDNPFCUDPI-MGPQQGTHSA-N 0 0 390.527 0.493 10 0 GCAERN O=C(CNC(=O)c1cccnc1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000268839227 530232843 /nfs/dbraw/zinc/23/28/43/530232843.db2.gz ZCYRYWNZBOOCKI-ZDUSSCGKSA-N 0 0 380.495 0.288 10 0 GCAERN Cn1cc(CNC(=O)NC2CCN(S(C)(=O)=O)CC2)c(C(F)(F)F)n1 ZINC000151587696 530245668 /nfs/dbraw/zinc/24/56/68/530245668.db2.gz FYFWDKPJXXQMRU-UHFFFAOYSA-N 0 0 383.396 0.662 10 0 GCAERN Cn1c2ncn(C[C@H](O)c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000103501155 530249030 /nfs/dbraw/zinc/24/90/30/530249030.db2.gz AGPBYUPXPNIVSY-NSHDSACASA-N 0 0 379.214 0.930 10 0 GCAERN CCOC(=O)CSc1nnc(NC(=O)CSc2nc(N)n[nH]2)s1 ZINC000104556295 530250044 /nfs/dbraw/zinc/25/00/44/530250044.db2.gz RBPFNTORAMRMNB-UHFFFAOYSA-N 0 0 375.461 0.624 10 0 GCAERN CC(=O)N1CC[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000558412552 530209247 /nfs/dbraw/zinc/20/92/47/530209247.db2.gz DHSBJPFDUBMMBP-JTQLQIEISA-N 0 0 379.891 0.664 10 0 GCAERN CN1CCO[C@@H](CNC(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000104797841 530250448 /nfs/dbraw/zinc/25/04/48/530250448.db2.gz DRLFLERTBNMMII-AWEZNQCLSA-N 0 0 399.289 0.809 10 0 GCAERN Cc1sc(=O)n(CCC(=O)N2CCC(CNS(C)(=O)=O)CC2)c1C ZINC000561097263 530272972 /nfs/dbraw/zinc/27/29/72/530272972.db2.gz VLBOTRBRRPHFIL-UHFFFAOYSA-N 0 0 375.516 0.705 10 0 GCAERN C[C@@H]1C[C@@H](S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 ZINC000295359073 530273068 /nfs/dbraw/zinc/27/30/68/530273068.db2.gz RJJHGGKWSCFXJS-ZBFHGGJFSA-N 0 0 388.511 0.890 10 0 GCAERN C[C@H]1CN(C(=O)c2cncc(I)c2)CCS1(=O)=O ZINC000122766144 530273194 /nfs/dbraw/zinc/27/31/94/530273194.db2.gz KDCJVOHWBMATQT-QMMMGPOBSA-N 0 0 380.207 0.945 10 0 GCAERN Cc1cnc(CCN(C)C(=O)Cn2cc(Br)c(=O)[nH]c2=O)s1 ZINC000125062306 530276782 /nfs/dbraw/zinc/27/67/82/530276782.db2.gz UBRJDMNOGGTUKA-UHFFFAOYSA-N 0 0 387.259 0.765 10 0 GCAERN CCn1cc([C@H]2CS(=O)(=O)CCN2S(=O)(=O)c2cn(C)nc2C)cn1 ZINC000329242576 530283214 /nfs/dbraw/zinc/28/32/14/530283214.db2.gz SKMXURUETFJBQG-CYBMUJFWSA-N 0 0 387.487 0.105 10 0 GCAERN CN(CCCO)C(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000561813515 530283892 /nfs/dbraw/zinc/28/38/92/530283892.db2.gz BNVJWKRIWXLKCE-LBPRGKRZSA-N 0 0 384.274 0.985 10 0 GCAERN Cn1cc([C@@H]2CCN(c3ccc(S(N)(=O)=O)cc3S(C)(=O)=O)C2)cn1 ZINC000329333602 530285157 /nfs/dbraw/zinc/28/51/57/530285157.db2.gz NPLBNRJLHQKAQV-LLVKDONJSA-N 0 0 384.483 0.465 10 0 GCAERN O=C(Cc1ccc(Cl)c(F)c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000448099893 530285409 /nfs/dbraw/zinc/28/54/09/530285409.db2.gz WDXJSOZGQGEVAT-HUUCEWRRSA-N 0 0 390.864 0.324 10 0 GCAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CSc2nncs2)CC1 ZINC000329365350 530285592 /nfs/dbraw/zinc/28/55/92/530285592.db2.gz JWTZNOFZQHAPGP-GFCCVEGCSA-N 0 0 385.515 0.022 10 0 GCAERN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC2(C1)CCCOC2 ZINC000329346566 530285819 /nfs/dbraw/zinc/28/58/19/530285819.db2.gz VGGANZVWZRWBTH-UHFFFAOYSA-N 0 0 375.468 0.900 10 0 GCAERN Cn1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)c1=O ZINC000130696691 530287905 /nfs/dbraw/zinc/28/79/05/530287905.db2.gz XWLVVAPFFGBNCO-KOLCDFICSA-N 0 0 386.246 0.754 10 0 GCAERN COCCCNC(=O)Cn1ncc(Br)c(Br)c1=O ZINC000131162332 530288259 /nfs/dbraw/zinc/28/82/59/530288259.db2.gz WMPIWNNXIKTMDA-UHFFFAOYSA-N 0 0 383.040 0.921 10 0 GCAERN COC[C@@H]1CN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CCO1 ZINC000329547699 530289070 /nfs/dbraw/zinc/28/90/70/530289070.db2.gz BBGMIHODJGCTIE-ZDUSSCGKSA-N 0 0 390.483 0.256 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)c3c[nH]c(=O)c(Br)c3)CC2)[nH]1 ZINC000525678713 530290222 /nfs/dbraw/zinc/29/02/22/530290222.db2.gz MCLLXHNGVMUPLW-UHFFFAOYSA-N 0 0 381.234 0.934 10 0 GCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(Br)cnc1Cl ZINC000132290761 530290425 /nfs/dbraw/zinc/29/04/25/530290425.db2.gz YWDDVLVZTPXWHR-SNVBAGLBSA-N 0 0 378.654 0.920 10 0 GCAERN O=C(Cc1cc(Br)ccc1F)NC[C@H](O)CN1CCOCC1 ZINC000132564395 530290845 /nfs/dbraw/zinc/29/08/45/530290845.db2.gz VQWZSYQBIZKGJK-ZDUSSCGKSA-N 0 0 375.238 0.940 10 0 GCAERN O=C(NC[C@H](O)CN1CCOCC1)c1cncc(I)c1 ZINC000132922717 530291457 /nfs/dbraw/zinc/29/14/57/530291457.db2.gz DNXGLRKEMWFBGY-LBPRGKRZSA-N 0 0 391.209 0.109 10 0 GCAERN C[C@H](Cn1cncn1)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000108270097 530253887 /nfs/dbraw/zinc/25/38/87/530253887.db2.gz CTRLWNRRPALHQM-SECBINFHSA-N 0 0 378.863 0.702 10 0 GCAERN O=C(CN1CCOC[C@@H]1CO)Nc1ccccc1I ZINC000168795993 530293287 /nfs/dbraw/zinc/29/32/87/530293287.db2.gz QRPLYASMEGRCHZ-JTQLQIEISA-N 0 0 376.194 0.923 10 0 GCAERN Cc1cnn([C@H]2CCCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)C2)c1 ZINC000109681587 530256877 /nfs/dbraw/zinc/25/68/77/530256877.db2.gz KWZJBLWATXJYFQ-NSHDSACASA-N 0 0 396.245 0.668 10 0 GCAERN O=C(CN1CC(=O)NC1=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000111607170 530259461 /nfs/dbraw/zinc/25/94/61/530259461.db2.gz GBCHALWTEJZCOP-NSHDSACASA-N 0 0 381.230 0.696 10 0 GCAERN Cn1cc(S(=O)(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c(=O)n(C)c1=O ZINC000111361912 530259502 /nfs/dbraw/zinc/25/95/02/530259502.db2.gz DLKMIHMOWKEZEA-LBPRGKRZSA-N 0 0 383.857 0.916 10 0 GCAERN CCO[C@@H]1C[C@](NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)(C(=O)OC)C1(C)C ZINC000560041278 530259519 /nfs/dbraw/zinc/25/95/19/530259519.db2.gz LFKZIQWVLATXQZ-HSMVNMDESA-N 0 0 376.475 0.562 10 0 GCAERN CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000560064180 530259757 /nfs/dbraw/zinc/25/97/57/530259757.db2.gz MOWKYJVWLPZUCE-QWHCGFSZSA-N 0 0 378.491 0.952 10 0 GCAERN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H](NC(N)=O)C2)c1OC ZINC000560062830 530259830 /nfs/dbraw/zinc/25/98/30/530259830.db2.gz IWAYIZAHXQNXBZ-VIFPVBQESA-N 0 0 391.833 0.567 10 0 GCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000066842757 530259847 /nfs/dbraw/zinc/25/98/47/530259847.db2.gz SNINHPLCIKDWIV-CYBMUJFWSA-N 0 0 377.532 0.570 10 0 GCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000066854963 530260667 /nfs/dbraw/zinc/26/06/67/530260667.db2.gz LCIBBVCBLCIBHK-ZDUSSCGKSA-N 0 0 377.532 0.570 10 0 GCAERN O=C(CNC(=O)c1cccc(Br)c1)N[C@H]1CCc2ncnn2C1 ZINC000112725349 530261064 /nfs/dbraw/zinc/26/10/64/530261064.db2.gz HKYDCXXZNADEAI-LBPRGKRZSA-N 0 0 378.230 0.902 10 0 GCAERN O=C1NCCN1C1CN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000288825650 530261912 /nfs/dbraw/zinc/26/19/12/530261912.db2.gz BWNHUQZJAARTRM-UHFFFAOYSA-N 0 0 378.223 0.986 10 0 GCAERN COc1ccc(Cl)cc1CNC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000560236200 530261980 /nfs/dbraw/zinc/26/19/80/530261980.db2.gz FUHQJFOUVSKXDI-SNVBAGLBSA-N 0 0 376.862 0.856 10 0 GCAERN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc(Br)s1 ZINC000114317343 530262732 /nfs/dbraw/zinc/26/27/32/530262732.db2.gz IXANHNHFADNUCN-SECBINFHSA-N 0 0 375.244 0.943 10 0 GCAERN Cc1csc(C[S@](=O)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 ZINC000134152638 530293754 /nfs/dbraw/zinc/29/37/54/530293754.db2.gz GSSNTHUNFUFXOV-VWLOTQADSA-N 0 0 381.483 0.538 10 0 GCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)C[C@H](C)O1 ZINC000066936918 530266162 /nfs/dbraw/zinc/26/61/62/530266162.db2.gz JZKYILSTJPRONS-HZSPNIEDSA-N 0 0 377.532 0.380 10 0 GCAERN Cc1nc(CNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)no1 ZINC000118646046 530267161 /nfs/dbraw/zinc/26/71/61/530267161.db2.gz KJDWIDLDGAANHI-UHFFFAOYSA-N 0 0 378.332 0.992 10 0 GCAERN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)CC(N)=O)s1 ZINC000560601518 530267488 /nfs/dbraw/zinc/26/74/88/530267488.db2.gz QXKAYYUMTTXMPP-LLVKDONJSA-N 0 0 375.516 0.995 10 0 GCAERN O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCSC[C@H]1CCO ZINC000560610296 530267831 /nfs/dbraw/zinc/26/78/31/530267831.db2.gz SSPQGMSQYSMOPL-LLVKDONJSA-N 0 0 384.483 0.168 10 0 GCAERN O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CCO[C@]2(CCOC2)C1 ZINC000274491310 530297115 /nfs/dbraw/zinc/29/71/15/530297115.db2.gz SRFZBYLDKKXNIO-CZUORRHYSA-N 0 0 386.495 0.919 10 0 GCAERN CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)OC)cc2C)C1 ZINC000363536943 530298919 /nfs/dbraw/zinc/29/89/19/530298919.db2.gz SVCJOBKRKIJFCC-ZDUSSCGKSA-N 0 0 390.483 0.484 10 0 GCAERN CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)OC)cc2)C1 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1192848147 /nfs/dbraw/zinc/84/81/47/1192848147.db2.gz ORSFGAYIJGGCBV-RHSMWYFYSA-N 0 0 394.424 0.799 10 0 GCAERN COc1c(F)cc(CC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1S(N)(=O)=O ZINC000473264579 1192847596 /nfs/dbraw/zinc/84/75/96/1192847596.db2.gz ORSFGAYIJGGCBV-WMLDXEAASA-N 0 0 394.424 0.799 10 0 GCAERN CC(=O)CCCC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000549704056 1192852336 /nfs/dbraw/zinc/85/23/36/1192852336.db2.gz KIGYZVBXPMQRNM-MRXNPFEDSA-N 0 0 389.500 0.709 10 0 GCAERN COC(=O)CN1CCN(C(=O)Cc2c(C)nc3nc(SC)nn3c2C)CC1 ZINC000473277744 1192855210 /nfs/dbraw/zinc/85/52/10/1192855210.db2.gz OYKRIXISBLXICV-UHFFFAOYSA-N 0 0 392.485 0.323 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000473315531 1192862676 /nfs/dbraw/zinc/86/26/76/1192862676.db2.gz NDWAZAICCIRATR-CQSZACIVSA-N 0 0 387.440 0.672 10 0 GCAERN O=C(COc1ccccc1)N1CC[C@H](NC(=O)C(=O)Nc2cnns2)C1 ZINC000549753216 1192870595 /nfs/dbraw/zinc/87/05/95/1192870595.db2.gz SMSNDCPDHNIOOI-NSHDSACASA-N 0 0 375.410 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1184476826 /nfs/dbraw/zinc/47/68/26/1184476826.db2.gz FLBBZVUQPRTIER-UHFFFAOYSA-N 0 0 397.472 0.917 10 0 GCAERN C[C@@H]1CN(c2ccc(NC(=O)Cn3cnc4c(cnn4C)c3=O)cc2)CCO1 ZINC000134831074 1184478183 /nfs/dbraw/zinc/47/81/83/1184478183.db2.gz HOKTZVQPOFUYLY-CYBMUJFWSA-N 0 0 382.424 0.994 10 0 GCAERN O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000579881770 1184487243 /nfs/dbraw/zinc/48/72/43/1184487243.db2.gz CQNBMVKGHIHJFM-JXFKEZNVSA-N 0 0 393.484 0.444 10 0 GCAERN O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000579881772 1184487257 /nfs/dbraw/zinc/48/72/57/1184487257.db2.gz CQNBMVKGHIHJFM-OXQOHEQNSA-N 0 0 393.484 0.444 10 0 GCAERN C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCC1=O ZINC000275287251 1184585477 /nfs/dbraw/zinc/58/54/77/1184585477.db2.gz UUSHJXQPSQPJAG-ZDUSSCGKSA-N 0 0 396.465 0.954 10 0 GCAERN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC(CNS(C)(=O)=O)CC1 ZINC000510174208 1184591312 /nfs/dbraw/zinc/59/13/12/1184591312.db2.gz FJIXJVWQTOYWPX-UKRRQHHQSA-N 0 0 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1184705577 /nfs/dbraw/zinc/70/55/77/1184705577.db2.gz JPMKDKJXRYMOOA-UHFFFAOYSA-N 0 0 385.486 0.904 10 0 GCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275544495 1184705626 /nfs/dbraw/zinc/70/56/26/1184705626.db2.gz DTCVESPPWRVROC-ILXRZTDVSA-N 0 0 379.461 0.242 10 0 GCAERN C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC(CNS(C)(=O)=O)CC1 ZINC000510268828 1184710325 /nfs/dbraw/zinc/71/03/25/1184710325.db2.gz OXLAWPUVPYEJPR-RDJZCZTQSA-N 0 0 389.562 0.959 10 0 GCAERN NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN3c3nccs3)CC2)nc1 ZINC000547850424 1184717468 /nfs/dbraw/zinc/71/74/68/1184717468.db2.gz BPLWZEXTDPMMRS-AWEZNQCLSA-N 0 0 386.481 0.955 10 0 GCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000547862277 1184722402 /nfs/dbraw/zinc/72/24/02/1184722402.db2.gz UVVPMMARKHSWMH-HNNXBMFYSA-N 0 0 397.501 0.141 10 0 GCAERN CCS(=O)(=O)N1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000683479233 1184740327 /nfs/dbraw/zinc/74/03/27/1184740327.db2.gz ZTIOQWDIJHEMFO-SJORKVTESA-N 0 0 395.481 0.079 10 0 GCAERN CN(C)S(=O)(=O)N1CCN(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)CC1 ZINC000683639959 1184843303 /nfs/dbraw/zinc/84/33/03/1184843303.db2.gz AKZNDIKARIFGOL-LLVKDONJSA-N 0 0 398.411 0.157 10 0 GCAERN Cn1cc([C@H](NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)C(F)(F)F)cn1 ZINC000683644601 1184846135 /nfs/dbraw/zinc/84/61/35/1184846135.db2.gz ZWNYGBRWTGDRAX-JTQLQIEISA-N 0 0 388.350 0.749 10 0 GCAERN Cn1c2ccccc2n(CC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)c1=O ZINC000275658214 1184879329 /nfs/dbraw/zinc/87/93/29/1184879329.db2.gz KXJPLCJAUNYFCN-CQSZACIVSA-N 0 0 396.451 0.219 10 0 GCAERN COC1(CO)CCN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000683687371 1184895033 /nfs/dbraw/zinc/89/50/33/1184895033.db2.gz VZUBZKVCSHDAPN-UHFFFAOYSA-N 0 0 377.441 0.462 10 0 GCAERN COc1cc2c(cc1OC)CN(CC(=O)N[C@@H](CO)C1CCOCC1)CC2 ZINC000579994890 1184895706 /nfs/dbraw/zinc/89/57/06/1184895706.db2.gz OJGRHSNVGCMQOB-KRWDZBQOSA-N 0 0 378.469 0.966 10 0 GCAERN Cn1cnc2c1c(=O)n(CCCN1CCN(c3nccs3)CC1)c(=O)n2C ZINC000122901188 1184915227 /nfs/dbraw/zinc/91/52/27/1184915227.db2.gz BRKZJYLZOADBDE-UHFFFAOYSA-N 0 0 389.485 0.103 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000548005816 1184926394 /nfs/dbraw/zinc/92/63/94/1184926394.db2.gz YOGOYYJDPJGCRG-MRXNPFEDSA-N 0 0 388.468 0.931 10 0 GCAERN COC(=O)c1cn([C@H]2CCCN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C2)nn1 ZINC000548011212 1184949000 /nfs/dbraw/zinc/94/90/00/1184949000.db2.gz BYLBDCHRIDQYAL-OLZOCXBDSA-N 0 0 388.428 0.779 10 0 GCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)CN3Cc4ccccc4C3=O)C2)c1=O ZINC000275743976 1184999118 /nfs/dbraw/zinc/99/91/18/1184999118.db2.gz PXBWLDYDQQEIEK-OAHLLOKOSA-N 0 0 381.436 0.521 10 0 GCAERN CN(Cc1ncccn1)[C@H]1CCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000275757058 1185028188 /nfs/dbraw/zinc/02/81/88/1185028188.db2.gz RFYVOTAGYSCUSL-HOCLYGCPSA-N 0 0 398.471 0.231 10 0 GCAERN O=C([C@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)O3)C1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328698796 1185028606 /nfs/dbraw/zinc/02/86/06/1185028606.db2.gz 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GCAERN COC(=O)[C@@H]1CN(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CCO1 ZINC000610478209 1185498039 /nfs/dbraw/zinc/49/80/39/1185498039.db2.gz QWARGXVSZOEUSV-AWEZNQCLSA-N 0 0 379.417 0.348 10 0 GCAERN Cn1ncc2c1ncn(CC(=O)Nc1ccc(CN3CCCC3=O)cc1)c2=O ZINC000126209418 1185514246 /nfs/dbraw/zinc/51/42/46/1185514246.db2.gz SLZBSGDRKFQECG-UHFFFAOYSA-N 0 0 380.408 0.891 10 0 GCAERN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccn1)N1CCN2CCOC[C@H]2C1 ZINC000581169088 1185522725 /nfs/dbraw/zinc/52/27/25/1185522725.db2.gz BLEXNABSEJJEBZ-CQSZACIVSA-N 0 0 395.485 0.414 10 0 GCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCC(C(=O)N2CCOCC2)CC1 ZINC000255278607 1185549919 /nfs/dbraw/zinc/54/99/19/1185549919.db2.gz LTPGXHZRRINAES-OAHLLOKOSA-N 0 0 389.500 0.785 10 0 GCAERN C[C@H](C(=O)N(C)Cc1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000071800455 1185686427 /nfs/dbraw/zinc/68/64/27/1185686427.db2.gz NWSBAXOOTYJOLP-GOSISDBHSA-N 0 0 388.512 0.510 10 0 GCAERN CCS(=O)(=O)c1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000276253378 1185708772 /nfs/dbraw/zinc/70/87/72/1185708772.db2.gz DTFRQQFMVJQGDS-UHFFFAOYSA-N 0 0 381.498 0.461 10 0 GCAERN COc1cccc2c1CCN(C(=O)C(=O)NC[C@H]1CCc3nnc(C)n3C1)CC2 ZINC000581506597 1185732103 /nfs/dbraw/zinc/73/21/03/1185732103.db2.gz RKSLOHUMXRICRO-OAHLLOKOSA-N 0 0 397.479 0.901 10 0 GCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)NCc3cn4c(n3)CCCC4)C2)c1=O ZINC000276343883 1185747889 /nfs/dbraw/zinc/74/78/89/1185747889.db2.gz HGWGZNWUVRTVEL-CQSZACIVSA-N 0 0 385.472 0.781 10 0 GCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000255329495 1185794250 /nfs/dbraw/zinc/79/42/50/1185794250.db2.gz OAFDUHGGFUTNSZ-INIZCTEOSA-N 0 0 388.516 0.455 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCn1c2ccccc2oc1=O ZINC000581642978 1185807130 /nfs/dbraw/zinc/80/71/30/1185807130.db2.gz IBINTSGXKKIKSX-CHWSQXEVSA-N 0 0 391.424 0.947 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000625770676 1185827454 /nfs/dbraw/zinc/82/74/54/1185827454.db2.gz OBHBKCSNCHPZGZ-QWHCGFSZSA-N 0 0 389.518 0.268 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000625770677 1185827977 /nfs/dbraw/zinc/82/79/77/1185827977.db2.gz OBHBKCSNCHPZGZ-STQMWFEESA-N 0 0 389.518 0.268 10 0 GCAERN CC(C)C(=O)NCCCNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000581682043 1185841018 /nfs/dbraw/zinc/84/10/18/1185841018.db2.gz SRSOGCUCJQAEJA-UHFFFAOYSA-N 0 0 378.404 0.329 10 0 GCAERN O=C(NCCc1cnn(-c2ccccc2)c1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000581838703 1185909505 /nfs/dbraw/zinc/90/95/05/1185909505.db2.gz ZMANPFYGMMDHCT-GOSISDBHSA-N 0 0 383.452 0.074 10 0 GCAERN O=C(Cn1cc(NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)cn1)NC1CCCC1 ZINC000548272505 1185925538 /nfs/dbraw/zinc/92/55/38/1185925538.db2.gz IELMGKZKSPNTSU-INIZCTEOSA-N 0 0 389.456 0.518 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)c1 ZINC000471757780 1185928561 /nfs/dbraw/zinc/92/85/61/1185928561.db2.gz SMPFGYZHTLCFAH-ZDUSSCGKSA-N 0 0 383.470 0.304 10 0 GCAERN Cc1ccccc1C1(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000328833057 1185936434 /nfs/dbraw/zinc/93/64/34/1185936434.db2.gz LOHWLZHMCBPQFM-UHFFFAOYSA-N 0 0 393.509 0.748 10 0 GCAERN CC(=O)N1CCc2sc(S(=O)(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)cc2C1 ZINC000656921148 1185940863 /nfs/dbraw/zinc/94/08/63/1185940863.db2.gz PCWALKGACBXDOT-HONMWMINSA-N 0 0 397.522 0.940 10 0 GCAERN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N1CCN(CCO)[C@H](C)C1 ZINC000548295256 1185947210 /nfs/dbraw/zinc/94/72/10/1185947210.db2.gz MAHUVYWMMPLFFQ-CYBMUJFWSA-N 0 0 397.497 0.731 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000628134354 1185965633 /nfs/dbraw/zinc/96/56/33/1185965633.db2.gz MSMCQBDPRUPAHX-CYBMUJFWSA-N 0 0 383.493 0.010 10 0 GCAERN CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@H](CO)c3ccnn3C)cc21 ZINC000657010648 1185968408 /nfs/dbraw/zinc/96/84/08/1185968408.db2.gz LBZHKPLSSVBHBO-OAHLLOKOSA-N 0 0 378.454 0.731 10 0 GCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@](C)(NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C ZINC000581918268 1185984819 /nfs/dbraw/zinc/98/48/19/1185984819.db2.gz RGNVZBXVZBXZCT-ZWOKBUDYSA-N 0 0 394.516 0.655 10 0 GCAERN CC(=O)N1c2ccc(S(=O)(=O)NCc3nc(C(N)=O)co3)cc2C[C@H]1C ZINC000657070018 1185997906 /nfs/dbraw/zinc/99/79/06/1185997906.db2.gz CAJXLTQOQJJOEV-SECBINFHSA-N 0 0 378.410 0.550 10 0 GCAERN C[C@H]1C(=O)CC[C@@H]1CC(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000684489759 1186004906 /nfs/dbraw/zinc/00/49/06/1186004906.db2.gz HKTSVJVARZLWLQ-ZIAGYGMSSA-N 0 0 379.482 0.988 10 0 GCAERN CC(=O)N[C@@](C)(C(=O)NCC[C@H]1CCOC1)c1ccc(S(C)(=O)=O)cc1 ZINC000430800587 1186030071 /nfs/dbraw/zinc/03/00/71/1186030071.db2.gz SDMMUEBJEJUXFL-KBXCAEBGSA-N 0 0 382.482 0.984 10 0 GCAERN CC(=O)N[C@](C)(C(=O)NCC[C@H]1CCOC1)c1ccc(S(C)(=O)=O)cc1 ZINC000430800589 1186030529 /nfs/dbraw/zinc/03/05/29/1186030529.db2.gz SDMMUEBJEJUXFL-KSSFIOAISA-N 0 0 382.482 0.984 10 0 GCAERN Cc1cc(N2CCN(C(=O)c3cccc(-n4cccn4)n3)CC2)n2ncnc2n1 ZINC000135371736 1186034763 /nfs/dbraw/zinc/03/47/63/1186034763.db2.gz GTEPAIPKDWQUCH-UHFFFAOYSA-N 0 0 389.423 0.976 10 0 GCAERN CN1CCN(C(=O)c2ccc(NC(=O)[C@](C)(O)Cn3ccccc3=O)cc2)CC1 ZINC000548388057 1186036325 /nfs/dbraw/zinc/03/63/25/1186036325.db2.gz CRIQKIXWNHYIJF-OAQYLSRUSA-N 0 0 398.463 0.626 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000548389862 1186039066 /nfs/dbraw/zinc/03/90/66/1186039066.db2.gz NCMYZIZDDNKMPV-NRFANRHFSA-N 0 0 399.447 0.388 10 0 GCAERN C[C@@H](c1nccs1)N1CCN(C(=O)[C@](C)(O)Cn2ccccc2=O)CC1 ZINC000548392648 1186043284 /nfs/dbraw/zinc/04/32/84/1186043284.db2.gz XMBGLFLHLHQKQQ-KBXCAEBGSA-N 0 0 376.482 0.961 10 0 GCAERN CC(=O)N1c2ccc(S(=O)(=O)NC[C@]3(OCCO)CCOC3)cc2C[C@H]1C ZINC000657087192 1186046635 /nfs/dbraw/zinc/04/66/35/1186046635.db2.gz WTCJVODYPHUHST-FZKQIMNGSA-N 0 0 398.481 0.430 10 0 GCAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CC[C@H](N4CCCC4=O)C3)C2=O)n(C)n1 ZINC000276805800 1186080567 /nfs/dbraw/zinc/08/05/67/1186080567.db2.gz FIKGNTKDFDIVCU-LSDHHAIUSA-N 0 0 388.472 0.630 10 0 GCAERN COCCN1CCN(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1=O ZINC000091833081 1186105049 /nfs/dbraw/zinc/10/50/49/1186105049.db2.gz LPNGTUUAFXDGKD-UHFFFAOYSA-N 0 0 399.495 0.896 10 0 GCAERN O=C(NC[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000510849631 1186130703 /nfs/dbraw/zinc/13/07/03/1186130703.db2.gz MQKUVTYNNCDHBQ-HUUCEWRRSA-N 0 0 395.481 0.400 10 0 GCAERN CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CC(CO)C2)c1 ZINC000548465769 1186155632 /nfs/dbraw/zinc/15/56/32/1186155632.db2.gz DROKMKZONANIMI-UHFFFAOYSA-N 0 0 381.498 0.992 10 0 GCAERN C[C@@H]1CN(c2ccc(NC(=O)N[C@@H]3CCCN(CCO)C3=O)cn2)C[C@H](C)O1 ZINC000581996109 1186172503 /nfs/dbraw/zinc/17/25/03/1186172503.db2.gz BTNFDUKTXVGESZ-IJEWVQPXSA-N 0 0 391.472 0.800 10 0 GCAERN C[C@@H]1CN(c2ccc(NC(=O)N[C@H]3CCCN(CCO)C3=O)cn2)C[C@H](C)O1 ZINC000581996110 1186172530 /nfs/dbraw/zinc/17/25/30/1186172530.db2.gz BTNFDUKTXVGESZ-LZWOXQAQSA-N 0 0 391.472 0.800 10 0 GCAERN COCc1nc(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)no1 ZINC000548484306 1186175165 /nfs/dbraw/zinc/17/51/65/1186175165.db2.gz ARBIDSQWYDTGTQ-UHFFFAOYSA-N 0 0 378.410 0.433 10 0 GCAERN C[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1O ZINC000657134174 1186186958 /nfs/dbraw/zinc/18/69/58/1186186958.db2.gz SUDORQABCCOGKY-CHWSQXEVSA-N 0 0 380.466 0.951 10 0 GCAERN C[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H](C)[C@H]1O ZINC000657134186 1186187022 /nfs/dbraw/zinc/18/70/22/1186187022.db2.gz SUDORQABCCOGKY-VIKVFOODSA-N 0 0 380.466 0.951 10 0 GCAERN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000535680296 1186197234 /nfs/dbraw/zinc/19/72/34/1186197234.db2.gz LNWKTSGVLLEKFQ-CYBMUJFWSA-N 0 0 391.428 0.442 10 0 GCAERN NC(=O)N[C@@H]1CCN(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1 ZINC000535678933 1186197334 /nfs/dbraw/zinc/19/73/34/1186197334.db2.gz DLLWBOBBVSXDCL-OAHLLOKOSA-N 0 0 395.423 0.819 10 0 GCAERN Cc1c(NC(=O)[C@H](C)N2CC[C@H](NC(N)=O)C2)c(=O)n(-c2ccccc2)n1C ZINC000535681274 1186198951 /nfs/dbraw/zinc/19/89/51/1186198951.db2.gz RZFMEHAFCQTNCK-KBPBESRZSA-N 0 0 386.456 0.554 10 0 GCAERN CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000535714097 1186201758 /nfs/dbraw/zinc/20/17/58/1186201758.db2.gz YXRPIWKQUWKTFS-AWEZNQCLSA-N 0 0 382.486 0.787 10 0 GCAERN NC(=O)N[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000535703919 1186201831 /nfs/dbraw/zinc/20/18/31/1186201831.db2.gz DMKWBZGVYVVBHB-CVEARBPZSA-N 0 0 379.436 0.651 10 0 GCAERN Cc1cc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)nn1-c1nc(C)cc(C)n1 ZINC000535723905 1186204028 /nfs/dbraw/zinc/20/40/28/1186204028.db2.gz FXRSKQSSUMSPTJ-AWEZNQCLSA-N 0 0 392.485 0.599 10 0 GCAERN O=C(NC[C@H](O)Cn1ccnn1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000458127647 1186204238 /nfs/dbraw/zinc/20/42/38/1186204238.db2.gz CUZRLWFAQRUIHL-JTQLQIEISA-N 0 0 381.318 0.669 10 0 GCAERN COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@H](O)Cn2ccnn2)CC1=O ZINC000458126962 1186204488 /nfs/dbraw/zinc/20/44/88/1186204488.db2.gz CDGQDENEIMNVJM-AAEUAGOBSA-N 0 0 393.831 0.470 10 0 GCAERN C[C@H](C(=O)NC[C@H](O)Cn1ccnn1)N1CCN(c2ccc(F)cc2)CC1 ZINC000458129979 1186204802 /nfs/dbraw/zinc/20/48/02/1186204802.db2.gz FKBVVVGAKYJWHA-PBHICJAKSA-N 0 0 376.436 0.105 10 0 GCAERN COC(=O)C1CCN(C(=O)CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)CC1 ZINC000610797105 1186204862 /nfs/dbraw/zinc/20/48/62/1186204862.db2.gz JPJMJTFTMNDOIG-LJQANCHMSA-N 0 0 395.456 0.666 10 0 GCAERN C[C@@H](C(=O)NC[C@@H](O)Cn1ccnn1)N1CCN(c2ccc(F)cc2)CC1 ZINC000458129985 1186205178 /nfs/dbraw/zinc/20/51/78/1186205178.db2.gz FKBVVVGAKYJWHA-WMLDXEAASA-N 0 0 376.436 0.105 10 0 GCAERN CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](O)Cn2ccnn2)C(C)C)cc1 ZINC000458129400 1186205271 /nfs/dbraw/zinc/20/52/71/1186205271.db2.gz OKUSCRZPAUBUER-NVXWUHKLSA-N 0 0 389.456 0.609 10 0 GCAERN Cc1cc(C(=O)NCCN2CCCS2(=O)=O)nn1-c1nc(C)cc(C)n1 ZINC000535720789 1186205689 /nfs/dbraw/zinc/20/56/89/1186205689.db2.gz MHJLTEDNOBEWSV-UHFFFAOYSA-N 0 0 378.458 0.353 10 0 GCAERN CCCCCn1nc(C(=O)NC[C@@H](O)Cn2ccnn2)c2ccccc2c1=O ZINC000458120293 1186205799 /nfs/dbraw/zinc/20/57/99/1186205799.db2.gz DVLRALRVUQJEIM-CQSZACIVSA-N 0 0 384.440 0.969 10 0 GCAERN O=C(NC[C@H](O)Cn1ccnn1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000458132108 1186206746 /nfs/dbraw/zinc/20/67/46/1186206746.db2.gz HHXXXOAPORGDSW-HNNXBMFYSA-N 0 0 393.469 0.290 10 0 GCAERN O=C(NC[C@H](O)Cn1ccnn1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000458146500 1186206773 /nfs/dbraw/zinc/20/67/73/1186206773.db2.gz RWJUGOSJAHVGOC-PWSUYJOCSA-N 0 0 381.795 0.601 10 0 GCAERN Cc1ccc(S(=O)(=O)NCCCC(=O)NC[C@@H](O)Cn2ccnn2)cc1C ZINC000458135542 1186207558 /nfs/dbraw/zinc/20/75/58/1186207558.db2.gz WOSXXFXETDEKDI-OAHLLOKOSA-N 0 0 395.485 0.131 10 0 GCAERN COc1cccc([C@@H]2[C@@H](C(=O)NC[C@H](O)Cn3ccnn3)CC(=O)N2C2CC2)c1 ZINC000458139704 1186207978 /nfs/dbraw/zinc/20/79/78/1186207978.db2.gz NBILYQFVPISBCM-VDZJLULYSA-N 0 0 399.451 0.516 10 0 GCAERN CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458153435 1186209015 /nfs/dbraw/zinc/20/90/15/1186209015.db2.gz YPNJGSAXDSGOJW-HZPDHXFCSA-N 0 0 392.435 0.418 10 0 GCAERN C[C@@H](NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(F)cc1 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1195194618 /nfs/dbraw/zinc/19/46/18/1195194618.db2.gz YEDCOZZRDWQOFA-ZDUSSCGKSA-N 0 0 390.408 0.786 10 0 GCAERN O=C(NCC1(CO)COC1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000438262133 1195202114 /nfs/dbraw/zinc/20/21/14/1195202114.db2.gz ZDWZPHKSWYBKFT-UHFFFAOYSA-N 0 0 398.341 0.955 10 0 GCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000517695183 1195207977 /nfs/dbraw/zinc/20/79/77/1195207977.db2.gz UYBUIRIYZGVHEM-ZBFHGGJFSA-N 0 0 397.497 0.410 10 0 GCAERN COC(=O)Cn1ccc(NC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)n1 ZINC000438355740 1195211080 /nfs/dbraw/zinc/21/10/80/1195211080.db2.gz SNKJPOVYKMVUFX-UHFFFAOYSA-N 0 0 389.412 1.384 10 0 GCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000546095688 1195221025 /nfs/dbraw/zinc/22/10/25/1195221025.db2.gz DVIONFJAQZDHOY-CQSZACIVSA-N 0 0 378.454 0.878 10 0 GCAERN C[C@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@H](C)N1CCOCC1 ZINC000517984432 1195236211 /nfs/dbraw/zinc/23/62/11/1195236211.db2.gz OHZLMNZHJCDIMZ-HOTGVXAUSA-N 0 0 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/nfs/dbraw/zinc/45/76/58/1195457658.db2.gz BJYQEFKMNXRYEJ-AWEZNQCLSA-N 0 0 384.458 0.387 10 0 GCAERN O=C(Nc1ccccc1CN1CCNC1=O)N[C@H]1CCCN(CCO)C1=O ZINC000473768631 1195458184 /nfs/dbraw/zinc/45/81/84/1195458184.db2.gz YDIMBAJXESCZJC-HNNXBMFYSA-N 0 0 375.429 0.317 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 ZINC000473813734 1195468946 /nfs/dbraw/zinc/46/89/46/1195468946.db2.gz VJSIJQKVLDFUSI-DZGCQCFKSA-N 0 0 387.440 0.817 10 0 GCAERN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)COC(C)C)CC3)C2=O)n(C)n1 ZINC000506858000 1195470114 /nfs/dbraw/zinc/47/01/14/1195470114.db2.gz NCYVIUNSXZKTLX-MRXNPFEDSA-N 0 0 377.489 0.793 10 0 GCAERN COc1ccc([C@H](NC(=O)C(=O)NC[C@@H]2COCCO2)c2nccn2C)cc1 ZINC000550257984 1195470200 /nfs/dbraw/zinc/47/02/00/1195470200.db2.gz AJQHISXRISEMIW-CVEARBPZSA-N 0 0 388.424 0.166 10 0 GCAERN COc1ccc([C@@H](NC(=O)C(=O)NC[C@@H]2COCCO2)c2nccn2C)cc1 ZINC000550257986 1195470413 /nfs/dbraw/zinc/47/04/13/1195470413.db2.gz AJQHISXRISEMIW-HZPDHXFCSA-N 0 0 388.424 0.166 10 0 GCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000550259777 1195471747 /nfs/dbraw/zinc/47/17/47/1195471747.db2.gz UZEKCRZCHFQIFJ-SNVBAGLBSA-N 0 0 395.359 0.091 10 0 GCAERN O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCCCc1nnc2ccccn21 ZINC000473831773 1195472269 /nfs/dbraw/zinc/47/22/69/1195472269.db2.gz UFPXWWCVMGGSIS-UHFFFAOYSA-N 0 0 378.392 0.894 10 0 GCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000473848212 1195475793 /nfs/dbraw/zinc/47/57/93/1195475793.db2.gz QEIGFJYJUZDOSQ-ZWNOBZJWSA-N 0 0 396.473 0.917 10 0 GCAERN COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)Nc2nc(C)cs2)CC1 ZINC000507707348 1195549429 /nfs/dbraw/zinc/54/94/29/1195549429.db2.gz NFCZUAMFLXPTOY-CQSZACIVSA-N 0 0 383.518 0.549 10 0 GCAERN O=C(c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)N1CCCC12CCC2 ZINC000366801290 1195550367 /nfs/dbraw/zinc/55/03/67/1195550367.db2.gz XCHBDBNHRZQNGE-UHFFFAOYSA-N 0 0 377.466 0.966 10 0 GCAERN O=C(NCCc1ccn(-c2ccccc2)n1)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000519658768 1195560669 /nfs/dbraw/zinc/56/06/69/1195560669.db2.gz JTAVAGFOPILMRK-NRFANRHFSA-N 0 0 395.463 0.660 10 0 GCAERN CO[C@H]1CCC[C@H]1CNC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000519661117 1195562379 /nfs/dbraw/zinc/56/23/79/1195562379.db2.gz LPNHBNQENDHMOW-HOCLYGCPSA-N 0 0 376.457 0.466 10 0 GCAERN Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)CC1 ZINC000519668371 1195563273 /nfs/dbraw/zinc/56/32/73/1195563273.db2.gz XXGMUKVEYMTWNC-UHFFFAOYSA-N 0 0 396.447 0.546 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)[C@@H](C)C1 ZINC000440578640 1195564003 /nfs/dbraw/zinc/56/40/03/1195564003.db2.gz WLURTOZHGSDDQF-JTQLQIEISA-N 0 0 389.391 0.128 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@H]1N1CCOCC1 ZINC000519860534 1195576453 /nfs/dbraw/zinc/57/64/53/1195576453.db2.gz WDZPNUHCZMKHCF-ZHCJQAHYSA-N 0 0 379.501 0.485 10 0 GCAERN CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCSC[C@H]3CO)ccc21 ZINC000440697310 1195576924 /nfs/dbraw/zinc/57/69/24/1195576924.db2.gz ZUVOMAYBLUAIQH-CQSZACIVSA-N 0 0 377.466 0.861 10 0 GCAERN Cn1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2ccccc2c1=O ZINC000025690138 1195577135 /nfs/dbraw/zinc/57/71/35/1195577135.db2.gz WMKCFVBUFVEINZ-UHFFFAOYSA-N 0 0 397.479 0.243 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)NCc2c3c(nn2C)CCCC3)CC1 ZINC000519851908 1195578044 /nfs/dbraw/zinc/57/80/44/1195578044.db2.gz SDBYZMPJJQDGOS-UHFFFAOYSA-N 0 0 390.488 0.179 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cccc4c3OCCC4=O)CC2)[nH]1 ZINC000440746891 1195580203 /nfs/dbraw/zinc/58/02/03/1195580203.db2.gz KXXKXCRAZQCKDW-UHFFFAOYSA-N 0 0 398.423 0.361 10 0 GCAERN COC(=O)c1ccsc1NC(=O)C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000440746587 1195580404 /nfs/dbraw/zinc/58/04/04/1195580404.db2.gz JZTVNJZSXRSJHX-UHFFFAOYSA-N 0 0 392.441 0.244 10 0 GCAERN COc1cc(F)c(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)cc1F ZINC000440755144 1195580936 /nfs/dbraw/zinc/58/09/36/1195580936.db2.gz CNJOTWXLTMKJLH-UHFFFAOYSA-N 0 0 394.382 0.683 10 0 GCAERN CCO[C@@H]1C[C@](NC(=O)CSc2nnnn2C2CC2)(C(=O)OC)C1(C)C ZINC000440883293 1195587050 /nfs/dbraw/zinc/58/70/50/1195587050.db2.gz XZXQRVDRWXYRIK-BZNIZROVSA-N 0 0 383.474 0.963 10 0 GCAERN CCO[C@@H]1C[C@@](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)(C(=O)OC)C1(C)C ZINC000440878317 1195587708 /nfs/dbraw/zinc/58/77/08/1195587708.db2.gz SRXAEEGZJAHXAX-CWTRNNRKSA-N 0 0 397.472 0.960 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)no1 ZINC000440917952 1195589203 /nfs/dbraw/zinc/58/92/03/1195589203.db2.gz AXXNPKVZILGZHK-UHFFFAOYSA-N 0 0 387.400 0.634 10 0 GCAERN CC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1Cl ZINC000440979912 1195593883 /nfs/dbraw/zinc/59/38/83/1195593883.db2.gz DEAGFAHMZFDSRW-CQSZACIVSA-N 0 0 397.859 0.633 10 0 GCAERN O=C(Cc1cccc(F)c1)NCC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000520261986 1195611669 /nfs/dbraw/zinc/61/16/69/1195611669.db2.gz UEYLZRBVUVOTKP-CVEARBPZSA-N 0 0 395.406 0.282 10 0 GCAERN CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CC(n2ccnn2)C1 ZINC000441293616 1195620376 /nfs/dbraw/zinc/62/03/76/1195620376.db2.gz DNBFBDFAHDXUOP-UHFFFAOYSA-N 0 0 397.844 0.747 10 0 GCAERN CCCCCOC1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C1 ZINC000441319984 1195622550 /nfs/dbraw/zinc/62/25/50/1195622550.db2.gz XJPRPNOMYLZDJR-UHFFFAOYSA-N 0 0 383.470 0.951 10 0 GCAERN Cc1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000112544156 1195636661 /nfs/dbraw/zinc/63/66/61/1195636661.db2.gz KXZKBMAGYYTLAZ-ZDUSSCGKSA-N 0 0 377.466 0.894 10 0 GCAERN CC(C)(C)C(=O)NCCCC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000112679247 1195640001 /nfs/dbraw/zinc/64/00/01/1195640001.db2.gz DOJYCIRHLPRYRQ-UHFFFAOYSA-N 0 0 380.533 0.989 10 0 GCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1cnc2sccn2c1=O ZINC000112679279 1195640199 /nfs/dbraw/zinc/64/01/99/1195640199.db2.gz DGAACSZANSFPCS-UHFFFAOYSA-N 0 0 389.481 0.430 10 0 GCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000112755723 1195643001 /nfs/dbraw/zinc/64/30/01/1195643001.db2.gz NVLNZGVHCUGYRB-UHFFFAOYSA-N 0 0 394.422 0.964 10 0 GCAERN CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000550391630 1195653068 /nfs/dbraw/zinc/65/30/68/1195653068.db2.gz ANXMINDFVWQBIL-GFCCVEGCSA-N 0 0 389.474 0.539 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000473960340 1195653148 /nfs/dbraw/zinc/65/31/48/1195653148.db2.gz QTJPHWOIGDILSX-CYBMUJFWSA-N 0 0 398.485 0.572 10 0 GCAERN Cc1cc(CS(=O)(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)no1 ZINC000328812866 1195665762 /nfs/dbraw/zinc/66/57/62/1195665762.db2.gz BODVMPRFJKYBKF-HUUCEWRRSA-N 0 0 398.529 0.935 10 0 GCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000330419379 1195687787 /nfs/dbraw/zinc/68/77/87/1195687787.db2.gz FTLWQLZEZMQTDM-MRXNPFEDSA-N 0 0 376.482 0.351 10 0 GCAERN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C)[C@H](C)CO)cc2)CC1 ZINC000330464681 1195688955 /nfs/dbraw/zinc/68/89/55/1195688955.db2.gz DZMNHYVMDKFZJC-KGLIPLIRSA-N 0 0 397.497 0.286 10 0 GCAERN Cn1ncc2c1ncn(CC(=O)N1CCN(C/C=C/c3ccccc3)CC1)c2=O ZINC000248029334 1195712073 /nfs/dbraw/zinc/71/20/73/1195712073.db2.gz KNBJJAHEWZHPMJ-VMPITWQZSA-N 0 0 392.463 0.988 10 0 GCAERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)CSCC(=O)N1CCOCC1 ZINC000441445628 1195732690 /nfs/dbraw/zinc/73/26/90/1195732690.db2.gz YWPZMBVQIKKKIB-UHFFFAOYSA-N 0 0 394.419 0.989 10 0 GCAERN CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000458960263 1195737739 /nfs/dbraw/zinc/73/77/39/1195737739.db2.gz SAORKRZRJGFASL-ZBFHGGJFSA-N 0 0 385.486 0.804 10 0 GCAERN COc1cc(OC)c(C[C@H](C)NC(=O)NC[C@H](O)Cn2ccnn2)c(OC)c1 ZINC000458971241 1195739784 /nfs/dbraw/zinc/73/97/84/1195739784.db2.gz TZONIVBUDILGGT-STQMWFEESA-N 0 0 393.444 0.595 10 0 GCAERN COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000473982154 1195740201 /nfs/dbraw/zinc/74/02/01/1195740201.db2.gz FTJRBGDPAMWTDE-HNNXBMFYSA-N 0 0 395.481 0.850 10 0 GCAERN COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCSC[C@H]2CCO)cc1 ZINC000473982155 1195740344 /nfs/dbraw/zinc/74/03/44/1195740344.db2.gz FTJRBGDPAMWTDE-OAHLLOKOSA-N 0 0 395.481 0.850 10 0 GCAERN CN(C)c1nccc([C@H]2CN(C(=O)NCC3([S@](C)=O)CCC3)CCO2)n1 ZINC000280808111 1195744793 /nfs/dbraw/zinc/74/47/93/1195744793.db2.gz QYPFRTZJINSGCM-PTFIGZPYSA-N 0 0 381.502 0.927 10 0 GCAERN CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000458993908 1195748268 /nfs/dbraw/zinc/74/82/68/1195748268.db2.gz WIJPALHOMYPXLV-OAHLLOKOSA-N 0 0 388.534 0.748 10 0 GCAERN CCOC(=O)C[C@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000535551083 1195749657 /nfs/dbraw/zinc/74/96/57/1195749657.db2.gz PFHQFPFBXAGELN-NSHDSACASA-N 0 0 385.442 0.239 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)nn1-c1ccc(C)cc1 ZINC000190035782 1195755893 /nfs/dbraw/zinc/75/58/93/1195755893.db2.gz RYUWBSIGWBTRKF-MRXNPFEDSA-N 0 0 385.468 0.953 10 0 GCAERN Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)o1 ZINC000190050256 1195756449 /nfs/dbraw/zinc/75/64/49/1195756449.db2.gz PTDCWRLFHMYKCH-CYBMUJFWSA-N 0 0 375.429 0.296 10 0 GCAERN Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)o1 ZINC000190050276 1195756595 /nfs/dbraw/zinc/75/65/95/1195756595.db2.gz PTDCWRLFHMYKCH-ZDUSSCGKSA-N 0 0 375.429 0.296 10 0 GCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccnn2-c2ccc(Cl)cc2)CCN1CCO ZINC000190053176 1195756777 /nfs/dbraw/zinc/75/67/77/1195756777.db2.gz SCDILUFPIFBXQL-ZDUSSCGKSA-N 0 0 391.859 0.989 10 0 GCAERN CCN1C(=O)CCc2cc(NC(=O)C(=O)N3CC(OCCOC)C3)ccc21 ZINC000441502398 1195769368 /nfs/dbraw/zinc/76/93/68/1195769368.db2.gz UUHBFYUZGBJAMH-UHFFFAOYSA-N 0 0 375.425 0.798 10 0 GCAERN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCC34CCC4)cn2)C[C@@H](C)O1 ZINC000441522389 1195776978 /nfs/dbraw/zinc/77/69/78/1195776978.db2.gz RCIIZBSACVOART-ZIAGYGMSSA-N 0 0 389.456 0.612 10 0 GCAERN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCO[C@H](COc2ccccc2)C1 ZINC000520559392 1195786115 /nfs/dbraw/zinc/78/61/15/1195786115.db2.gz JWSROFDHKOSVGG-RYRKJORJSA-N 0 0 375.469 0.879 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OC)CC1 ZINC000441649986 1195808579 /nfs/dbraw/zinc/80/85/79/1195808579.db2.gz TUPVPZOJCFZAKG-UHFFFAOYSA-N 0 0 381.404 0.869 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2nc(-c3ccccn3)n[nH]2)CC12COC2 ZINC000459123514 1195809891 /nfs/dbraw/zinc/80/98/91/1195809891.db2.gz VAUGJMPOBMKYNO-LBPRGKRZSA-N 0 0 386.412 0.588 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)NCc2cccc(CS(C)(=O)=O)c2)C1 ZINC000474002260 1195811986 /nfs/dbraw/zinc/81/19/86/1195811986.db2.gz PNVDAQDDUGDVFI-HNNXBMFYSA-N 0 0 382.486 0.834 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCO3)CC1 ZINC000441663011 1195812540 /nfs/dbraw/zinc/81/25/40/1195812540.db2.gz ZEPARWZJRBQGHH-UHFFFAOYSA-N 0 0 375.425 0.656 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000441663887 1195813177 /nfs/dbraw/zinc/81/31/77/1195813177.db2.gz PSDRLPHSRIXROF-UHFFFAOYSA-N 0 0 393.440 0.738 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000441669219 1195814044 /nfs/dbraw/zinc/81/40/44/1195814044.db2.gz YPRRLCVUTPLSMN-HHHXNRCGSA-N 0 0 395.481 0.458 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000487398789 1195825989 /nfs/dbraw/zinc/82/59/89/1195825989.db2.gz BDRORYRZOAHXLZ-RYUDHWBXSA-N 0 0 384.454 0.746 10 0 GCAERN CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 ZINC000097029041 1195828233 /nfs/dbraw/zinc/82/82/33/1195828233.db2.gz RSSKYHZCKJFKSX-ZDUSSCGKSA-N 0 0 394.422 0.598 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000487397963 1195830241 /nfs/dbraw/zinc/83/02/41/1195830241.db2.gz VKDWWSQXYQNGTD-GHMZBOCLSA-N 0 0 386.426 0.208 10 0 GCAERN Cc1ncc(CS(=O)(=O)CC(=O)NC[C@H]2COc3ccccc3O2)cn1 ZINC000507802887 1195830328 /nfs/dbraw/zinc/83/03/28/1195830328.db2.gz FKFYTTLXULWNEU-AWEZNQCLSA-N 0 0 377.422 0.656 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)NCCCNS(C)(=O)=O)c2)n1 ZINC000441748755 1195835156 /nfs/dbraw/zinc/83/51/56/1195835156.db2.gz DQMIOJCTWKEMMH-UHFFFAOYSA-N 0 0 381.462 0.394 10 0 GCAERN NC(=O)N[C@H]1CCN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000536482682 1195837170 /nfs/dbraw/zinc/83/71/70/1195837170.db2.gz RBCWAIGUDFYLTA-INIZCTEOSA-N 0 0 394.520 0.163 10 0 GCAERN C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CC[C@@H](NC(N)=O)C1 ZINC000536488022 1195837856 /nfs/dbraw/zinc/83/78/56/1195837856.db2.gz KVLAHZTZKXDDSR-CRAIPNDOSA-N 0 0 389.500 0.266 10 0 GCAERN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](NC(N)=O)C2)cc1 ZINC000536486785 1195838207 /nfs/dbraw/zinc/83/82/07/1195838207.db2.gz ULCHLJPXPTTZLP-CQSZACIVSA-N 0 0 397.501 0.398 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)NCCCN3C(=O)CNC3=O)c2)n1 ZINC000441774768 1195844616 /nfs/dbraw/zinc/84/46/16/1195844616.db2.gz IKPITXCNKHJEME-UHFFFAOYSA-N 0 0 386.416 0.397 10 0 GCAERN COC(=O)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C)CC1 ZINC000507870299 1195867428 /nfs/dbraw/zinc/86/74/28/1195867428.db2.gz NJNALBIICUNHJN-UHFFFAOYSA-N 0 0 378.458 0.102 10 0 GCAERN Cc1cc(N2CCC[C@H](N3CCN(c4ncnc5n[nH]cc54)CC3)C2=O)n(C)n1 ZINC000507916403 1195872033 /nfs/dbraw/zinc/87/20/33/1195872033.db2.gz BEOZDIOZQUSLGY-HNNXBMFYSA-N 0 0 395.471 0.712 10 0 GCAERN COC[C@@H](C)NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000508265270 1195912812 /nfs/dbraw/zinc/91/28/12/1195912812.db2.gz BZCCXFGMVRQDJI-CVEARBPZSA-N 0 0 392.504 0.586 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000508266334 1195914461 /nfs/dbraw/zinc/91/44/61/1195914461.db2.gz QSISYOYUGXXTNN-LLVKDONJSA-N 0 0 397.478 0.733 10 0 GCAERN O=C(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N1CCSC[C@@H]1CCO ZINC000442051638 1195946861 /nfs/dbraw/zinc/94/68/61/1195946861.db2.gz ORQKEXAWQMHDHN-HNNXBMFYSA-N 0 0 377.466 0.844 10 0 GCAERN O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)N1CCSC[C@@H]1CCO ZINC000442079441 1195950129 /nfs/dbraw/zinc/95/01/29/1195950129.db2.gz BBQQXXUVQDSIOL-HNNXBMFYSA-N 0 0 375.454 0.591 10 0 GCAERN CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCSC[C@H]3CCO)cc21 ZINC000442072207 1195951615 /nfs/dbraw/zinc/95/16/15/1195951615.db2.gz FWBUNGNNUXWRLA-GFCCVEGCSA-N 0 0 379.438 0.307 10 0 GCAERN NC(=O)CCSc1ccccc1NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000442071143 1195951838 /nfs/dbraw/zinc/95/18/38/1195951838.db2.gz CWBYPCWMHGGSSM-GFCCVEGCSA-N 0 0 397.522 0.919 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCSC[C@H]2CCO)ccc1C(=O)N(C)C ZINC000442096176 1195952939 /nfs/dbraw/zinc/95/29/39/1195952939.db2.gz LCTDTGNXMGBADT-CQSZACIVSA-N 0 0 379.482 0.962 10 0 GCAERN Cn1c2ccc(NC(=O)C(=O)N3CCSC[C@@H]3CCO)cc2n(C)c1=O ZINC000442102920 1195953061 /nfs/dbraw/zinc/95/30/61/1195953061.db2.gz NTARWKJOMFCDNE-LBPRGKRZSA-N 0 0 378.454 0.142 10 0 GCAERN O=C(Nc1cccc(Cn2cncn2)c1)C(=O)N1CCSC[C@@H]1CCO ZINC000442103902 1195953143 /nfs/dbraw/zinc/95/31/43/1195953143.db2.gz ANRGMDQLJKNVIS-HNNXBMFYSA-N 0 0 375.454 0.591 10 0 GCAERN CN1C(=O)c2ccc(NC(=O)C(=O)N3CCSC[C@H]3CCO)cc2C1=O ZINC000442100842 1195953205 /nfs/dbraw/zinc/95/32/05/1195953205.db2.gz WRYJRLLUKMNICB-LLVKDONJSA-N 0 0 377.422 0.177 10 0 GCAERN CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cc1 ZINC000442106023 1195954133 /nfs/dbraw/zinc/95/41/33/1195954133.db2.gz HTSLSUNSKOSXKM-OAHLLOKOSA-N 0 0 379.482 0.582 10 0 GCAERN CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000442106022 1195954310 /nfs/dbraw/zinc/95/43/10/1195954310.db2.gz HTSLSUNSKOSXKM-HNNXBMFYSA-N 0 0 379.482 0.582 10 0 GCAERN O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)C(=O)Nc1cccc2c1OCCC2 ZINC000442115012 1195954702 /nfs/dbraw/zinc/95/47/02/1195954702.db2.gz PPAWLAUWQLRLCC-BUXKBTBVSA-N 0 0 386.408 0.445 10 0 GCAERN CCO[C@@H]1COCC[C@H]1NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000760054776 1195954747 /nfs/dbraw/zinc/95/47/47/1195954747.db2.gz ZDRVUQNIOZSJFX-RBSFLKMASA-N 0 0 399.488 0.812 10 0 GCAERN O=C(Nc1cc2c(cc1F)CCC(=O)N2)C(=O)N1CCSC[C@H]1CCO ZINC000442119369 1195955088 /nfs/dbraw/zinc/95/50/88/1195955088.db2.gz YNWSXHWOMLBXHN-LLVKDONJSA-N 0 0 381.429 0.975 10 0 GCAERN Cc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cc1C(=O)N(C)C ZINC000442116881 1195955102 /nfs/dbraw/zinc/95/51/02/1195955102.db2.gz VWOMJYRPBNIERB-CQSZACIVSA-N 0 0 379.482 0.962 10 0 GCAERN Cc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1C(=O)N(C)C ZINC000442116879 1195955316 /nfs/dbraw/zinc/95/53/16/1195955316.db2.gz VWOMJYRPBNIERB-AWEZNQCLSA-N 0 0 379.482 0.962 10 0 GCAERN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1OC ZINC000442258163 1195966852 /nfs/dbraw/zinc/96/68/52/1195966852.db2.gz AHFXURRPLZCXHZ-CYBMUJFWSA-N 0 0 379.413 0.132 10 0 GCAERN O=C(Nc1ccc2oc(C3CC3)nc2c1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442266591 1195968125 /nfs/dbraw/zinc/96/81/25/1195968125.db2.gz VFRQDIUYSTUDHQ-CYBMUJFWSA-N 0 0 386.408 0.743 10 0 GCAERN COCCCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442267301 1195968422 /nfs/dbraw/zinc/96/84/22/1195968422.db2.gz WBFDTWRCJBVUJZ-HNNXBMFYSA-N 0 0 393.440 0.140 10 0 GCAERN COCC[C@H](NC(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1)C(N)=O ZINC000442267299 1195968634 /nfs/dbraw/zinc/96/86/34/1195968634.db2.gz WBCCKOKUELQNER-NSHDSACASA-N 0 0 377.319 0.573 10 0 GCAERN O=C(Nc1ccc(OC(F)F)c(F)c1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442275199 1195969883 /nfs/dbraw/zinc/96/98/83/1195969883.db2.gz OIRCONAVQCLSBZ-LLVKDONJSA-N 0 0 389.330 0.465 10 0 GCAERN CC(C)Oc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442275338 1195969974 /nfs/dbraw/zinc/96/99/74/1195969974.db2.gz SXKQFGHOSOFNQQ-CQSZACIVSA-N 0 0 381.404 0.651 10 0 GCAERN Cc1ccnn1-c1ccccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442278696 1195970735 /nfs/dbraw/zinc/97/07/35/1195970735.db2.gz WYSKRKSPZVWEPJ-HNNXBMFYSA-N 0 0 385.424 0.219 10 0 GCAERN O=C(Nc1cccc(Oc2ccncc2)c1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442281229 1195971072 /nfs/dbraw/zinc/97/10/72/1195971072.db2.gz XVPJMGVLXGMWHZ-KRWDZBQOSA-N 0 0 398.419 0.912 10 0 GCAERN O=C(Nc1cccc(Oc2ccncc2)c1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442281231 1195971213 /nfs/dbraw/zinc/97/12/13/1195971213.db2.gz XVPJMGVLXGMWHZ-QGZVFWFLSA-N 0 0 398.419 0.912 10 0 GCAERN Cc1ccnc(-c2cccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)c2)n1 ZINC000442284163 1195971897 /nfs/dbraw/zinc/97/18/97/1195971897.db2.gz LSGXFGUGXBTGHC-INIZCTEOSA-N 0 0 397.435 0.490 10 0 GCAERN COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1Cl ZINC000442284429 1195971900 /nfs/dbraw/zinc/97/19/00/1195971900.db2.gz MNFSCJQZSWXFTA-CYBMUJFWSA-N 0 0 397.815 0.165 10 0 GCAERN CC(=O)Nc1cc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)ccc1Cl ZINC000442291198 1195972762 /nfs/dbraw/zinc/97/27/62/1195972762.db2.gz CCZHTBAXQWBKJY-ZDUSSCGKSA-N 0 0 396.831 0.336 10 0 GCAERN CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442292311 1195972764 /nfs/dbraw/zinc/97/27/64/1195972764.db2.gz FQKYQKQVSWQVST-KGLIPLIRSA-N 0 0 379.461 0.528 10 0 GCAERN CCOC(=O)c1cc(C)sc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442292345 1195973037 /nfs/dbraw/zinc/97/30/37/1195973037.db2.gz FRZJRFXWVQQTNB-LBPRGKRZSA-N 0 0 397.453 0.271 10 0 GCAERN CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000442293067 1195973179 /nfs/dbraw/zinc/97/31/79/1195973179.db2.gz HKLQWVQUECZRPY-CYBMUJFWSA-N 0 0 396.831 0.336 10 0 GCAERN Cc1c(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cnn1-c1ccccc1 ZINC000442297360 1195974041 /nfs/dbraw/zinc/97/40/41/1195974041.db2.gz OLAMYVFJDGAWQU-OAHLLOKOSA-N 0 0 385.424 0.219 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2C2CCOCC2)c1 ZINC000442402523 1195982552 /nfs/dbraw/zinc/98/25/52/1195982552.db2.gz DELNWOQUMMSIIX-INIZCTEOSA-N 0 0 395.481 0.951 10 0 GCAERN COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc4c(c3)CCCO4)C2)nn1 ZINC000442474899 1195987503 /nfs/dbraw/zinc/98/75/03/1195987503.db2.gz FZWUCYKGAUSRNC-UHFFFAOYSA-N 0 0 385.380 0.412 10 0 GCAERN Cc1ncn(CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)c(=O)c1C ZINC000442559745 1195993841 /nfs/dbraw/zinc/99/38/41/1195993841.db2.gz PZBSOGZPKWJIJW-UHFFFAOYSA-N 0 0 399.494 0.584 10 0 GCAERN COCCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)CC1=O ZINC000508412439 1196019975 /nfs/dbraw/zinc/01/99/75/1196019975.db2.gz QGGUDYKUOCKPPB-UHFFFAOYSA-N 0 0 397.497 0.241 10 0 GCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000443243211 1196030322 /nfs/dbraw/zinc/03/03/22/1196030322.db2.gz FGRSRRLEUYBHAB-HZMBPMFUSA-N 0 0 382.424 0.928 10 0 GCAERN CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)N(C)CCCO)ccc1C ZINC000443263139 1196032341 /nfs/dbraw/zinc/03/23/41/1196032341.db2.gz MCELXEYZIYINNK-UHFFFAOYSA-N 0 0 385.486 0.805 10 0 GCAERN CCN1c2ccc(NC(=O)C(=O)NCC3([S@](C)=O)CC3)cc2CCC1=O ZINC000443269916 1196033707 /nfs/dbraw/zinc/03/37/07/1196033707.db2.gz YALODEBGVQQXNC-SANMLTNESA-N 0 0 377.466 0.952 10 0 GCAERN CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)C(=O)N(C)CCCO)CC1 ZINC000443326900 1196039853 /nfs/dbraw/zinc/03/98/53/1196039853.db2.gz DQAOJIOZSQJQFC-UHFFFAOYSA-N 0 0 394.447 0.664 10 0 GCAERN CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N(C)CCCO)CC1 ZINC000443344015 1196040411 /nfs/dbraw/zinc/04/04/11/1196040411.db2.gz HNFFYANSIDQWQM-UHFFFAOYSA-N 0 0 376.457 0.130 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)NCCCNC(=O)c2cccc(F)c2)cn1C ZINC000522056109 1196040708 /nfs/dbraw/zinc/04/07/08/1196040708.db2.gz ZQEJRZFJSXWUFR-UHFFFAOYSA-N 0 0 396.444 0.622 10 0 GCAERN CN(CCCO)C(=O)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000443350960 1196041565 /nfs/dbraw/zinc/04/15/65/1196041565.db2.gz LKTGBSHRKJLUOO-UHFFFAOYSA-N 0 0 378.820 0.972 10 0 GCAERN Cn1ccnc(N2CCC[C@H](NC(=O)NCC3([S@](C)=O)CCC3)C2)c1=O ZINC000280845343 1196047012 /nfs/dbraw/zinc/04/70/12/1196047012.db2.gz VZQFYDVRSXSUMN-NRRJATNASA-N 0 0 381.502 0.350 10 0 GCAERN Cn1c2ncn(CC(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)c2c(=O)n(C)c1=O ZINC000027834900 1196051572 /nfs/dbraw/zinc/05/15/72/1196051572.db2.gz XOFUEHOKMLUBCO-ZJUUUORDSA-N 0 0 387.362 0.671 10 0 GCAERN COCC(=O)Nc1cccc(CNC(=O)C(=O)N[C@H](C)Cc2cc(C)n[nH]2)c1 ZINC000550491064 1196054974 /nfs/dbraw/zinc/05/49/74/1196054974.db2.gz LFRZXQWHGRKSMF-GFCCVEGCSA-N 0 0 387.440 0.667 10 0 GCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000443492665 1196061336 /nfs/dbraw/zinc/06/13/36/1196061336.db2.gz PEICBBRWPRLVCE-MRXNPFEDSA-N 0 0 377.470 0.894 10 0 GCAERN O=C(NCc1ccc(N2CCCCC2)nc1)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000550510056 1196067416 /nfs/dbraw/zinc/06/74/16/1196067416.db2.gz JOGPMBKOCJNKQQ-NRFANRHFSA-N 0 0 399.495 0.817 10 0 GCAERN O=C(NCCCOC[C@@H]1CCCO1)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000550511902 1196069220 /nfs/dbraw/zinc/06/92/20/1196069220.db2.gz VJURQHYQSGTKMW-INIZCTEOSA-N 0 0 394.447 0.571 10 0 GCAERN Cc1nc(-c2ccc(CNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)s2)cs1 ZINC000550514744 1196071148 /nfs/dbraw/zinc/07/11/48/1196071148.db2.gz RTOCKWOUNLTGRW-GFCCVEGCSA-N 0 0 394.478 0.509 10 0 GCAERN COC(=O)CN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C)CC1 ZINC000508427818 1196077418 /nfs/dbraw/zinc/07/74/18/1196077418.db2.gz OSPRKFKXSQQVJY-UHFFFAOYSA-N 0 0 375.429 0.794 10 0 GCAERN CCCOc1ccc(CNC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1OC ZINC000550535360 1196078589 /nfs/dbraw/zinc/07/85/89/1196078589.db2.gz QHTBDVSNJMUJQT-INIZCTEOSA-N 0 0 391.468 0.643 10 0 GCAERN C[C@@H](NC(=O)CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1)C(=O)N(C)C ZINC000051405943 1196082516 /nfs/dbraw/zinc/08/25/16/1196082516.db2.gz DMIGTOCADJPGNQ-GFCCVEGCSA-N 0 0 382.411 0.316 10 0 GCAERN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)NC)ccc1F ZINC000025251849 1196083632 /nfs/dbraw/zinc/08/36/32/1196083632.db2.gz HQZMZXRDKUOGCY-VIFPVBQESA-N 0 0 387.389 0.291 10 0 GCAERN COC[C@@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)C(N)=O ZINC000760066609 1196090787 /nfs/dbraw/zinc/09/07/87/1196090787.db2.gz XMQQGALYJVNERX-MRXNPFEDSA-N 0 0 376.457 0.567 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)Nc2cc(C(=O)OC)n(C)c2)c1 ZINC000443693118 1196091586 /nfs/dbraw/zinc/09/15/86/1196091586.db2.gz NHWOTWBZQVAADF-UHFFFAOYSA-N 0 0 394.409 0.297 10 0 GCAERN O=C(NCc1coc(-c2cccs2)n1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000550579686 1196092943 /nfs/dbraw/zinc/09/29/43/1196092943.db2.gz PFVXXJUDWDODAA-ZDUSSCGKSA-N 0 0 376.438 0.562 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC(C(=O)NCCCOCC)CC2)C1 ZINC000474194021 1196097950 /nfs/dbraw/zinc/09/79/50/1196097950.db2.gz NJKMPXWDXFPKQX-MRXNPFEDSA-N 0 0 397.520 0.755 10 0 GCAERN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)N[C@H]1CCc2n[nH]cc2C1 ZINC000114407146 1196098289 /nfs/dbraw/zinc/09/82/89/1196098289.db2.gz RIGURZVWDRYWRV-DJJJIMSYSA-N 0 0 393.447 0.859 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)C1 ZINC000474195873 1196098340 /nfs/dbraw/zinc/09/83/40/1196098340.db2.gz ICXZMPYBELYRMN-ILXRZTDVSA-N 0 0 383.493 0.363 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000474204632 1196098936 /nfs/dbraw/zinc/09/89/36/1196098936.db2.gz GBBLSIUJPQHHJP-INIZCTEOSA-N 0 0 394.520 0.130 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)C1 ZINC000474202204 1196099174 /nfs/dbraw/zinc/09/91/74/1196099174.db2.gz ZTQSCLZTBUUYQU-KGLIPLIRSA-N 0 0 389.522 0.294 10 0 GCAERN CC(=O)Nc1cc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)ccc1F ZINC000474208810 1196099772 /nfs/dbraw/zinc/09/97/72/1196099772.db2.gz FQCNVEWKLVPMMU-OAHLLOKOSA-N 0 0 399.444 0.842 10 0 GCAERN CN(CC(=O)NC(C)(C)C)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000116203074 1196131737 /nfs/dbraw/zinc/13/17/37/1196131737.db2.gz SORFWBNOZFHLEO-UHFFFAOYSA-N 0 0 395.525 0.904 10 0 GCAERN COC(=O)[C@H]1CCCN(C(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)C1 ZINC000474649572 1196137349 /nfs/dbraw/zinc/13/73/49/1196137349.db2.gz RORYWUKOGRMTEE-QMMMGPOBSA-N 0 0 387.322 0.738 10 0 GCAERN CC(C)c1cc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)n(-c2ncccn2)n1 ZINC000474812695 1196152402 /nfs/dbraw/zinc/15/24/02/1196152402.db2.gz ZQWOMPDAMLRIJU-CYBMUJFWSA-N 0 0 387.444 0.891 10 0 GCAERN Cc1c(NC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cccc1N(C)C ZINC000474832543 1196160429 /nfs/dbraw/zinc/16/04/29/1196160429.db2.gz NXCUZFDECDKWNZ-UHFFFAOYSA-N 0 0 393.473 0.718 10 0 GCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000329219938 1196177484 /nfs/dbraw/zinc/17/74/84/1196177484.db2.gz AEIXYIZAPSEYIW-SJORKVTESA-N 0 0 387.546 0.761 10 0 GCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000329219936 1196177708 /nfs/dbraw/zinc/17/77/08/1196177708.db2.gz AEIXYIZAPSEYIW-IAGOWNOFSA-N 0 0 387.546 0.761 10 0 GCAERN Cc1cc(CS(=O)(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)no1 ZINC000329224589 1196177794 /nfs/dbraw/zinc/17/77/94/1196177794.db2.gz ZYTFCBICVHHBCV-UHFFFAOYSA-N 0 0 384.502 0.833 10 0 GCAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O ZINC000329367991 1196189114 /nfs/dbraw/zinc/18/91/14/1196189114.db2.gz LFUIRWFGZYJAIG-BFUOFWGJSA-N 0 0 376.457 0.772 10 0 GCAERN CCN(C(=O)CN1CCC[C@@H](C(=O)N2CCCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000329392424 1196191777 /nfs/dbraw/zinc/19/17/77/1196191777.db2.gz VTDRPELDZZABDP-HZPDHXFCSA-N 0 0 385.530 0.356 10 0 GCAERN C[C@H]1CN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CCS1(=O)=O ZINC000329401124 1196192415 /nfs/dbraw/zinc/19/24/15/1196192415.db2.gz BGXWJRRWBFWPTD-LBPRGKRZSA-N 0 0 394.474 0.994 10 0 GCAERN C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CCS1(=O)=O ZINC000329427355 1196195033 /nfs/dbraw/zinc/19/50/33/1196195033.db2.gz JJZUQOWCMIKLMI-OCCSQVGLSA-N 0 0 394.449 0.456 10 0 GCAERN Cc1nc(S(=O)(=O)NCC(=O)N2CCO[C@@H](C3CCCCC3)C2)cn1C ZINC000329456486 1196197846 /nfs/dbraw/zinc/19/78/46/1196197846.db2.gz QCZASWAIDZXPNL-OAHLLOKOSA-N 0 0 384.502 0.815 10 0 GCAERN Cn1c(CCN2CCN(S(=O)(=O)N3CCOCC3)CC2)nc2ccccc21 ZINC000329559139 1196205428 /nfs/dbraw/zinc/20/54/28/1196205428.db2.gz FMTMUCOKKWGAES-UHFFFAOYSA-N 0 0 393.513 0.310 10 0 GCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccnn1Cc1ccc(F)cc1)C(C)C ZINC000192057245 1196212105 /nfs/dbraw/zinc/21/21/05/1196212105.db2.gz XPLGIYYXDXJFLS-HNNXBMFYSA-N 0 0 375.404 0.896 10 0 GCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)C1 ZINC000329658841 1196216188 /nfs/dbraw/zinc/21/61/88/1196216188.db2.gz HJZOZFVWOHBNDY-FPCVCCKLSA-N 0 0 393.513 0.764 10 0 GCAERN CCN1C(=O)CCc2cc(NC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)ccc21 ZINC000443819535 1196217767 /nfs/dbraw/zinc/21/77/67/1196217767.db2.gz ZBXNQRUJMPZBSC-CHWSQXEVSA-N 0 0 377.441 0.514 10 0 GCAERN CCN1C(=O)CCc2cc(NC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)ccc21 ZINC000443819537 1196218052 /nfs/dbraw/zinc/21/80/52/1196218052.db2.gz ZBXNQRUJMPZBSC-QWHCGFSZSA-N 0 0 377.441 0.514 10 0 GCAERN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000329673580 1196219697 /nfs/dbraw/zinc/21/96/97/1196219697.db2.gz OBCPZFTZFQKPOO-JSGCOSHPSA-N 0 0 378.473 0.519 10 0 GCAERN C[C@H](O)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)CC1 ZINC000329676065 1196219707 /nfs/dbraw/zinc/21/97/07/1196219707.db2.gz PKNSLZAAYKONPM-HZMVEIRTSA-N 0 0 387.484 0.666 10 0 GCAERN CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000522522453 1196220176 /nfs/dbraw/zinc/22/01/76/1196220176.db2.gz AKTPTAQHOFTGBN-UHFFFAOYSA-N 0 0 381.454 0.444 10 0 GCAERN C[C@@H](c1cccnc1)N1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000329715567 1196225967 /nfs/dbraw/zinc/22/59/67/1196225967.db2.gz VDYJGHPZDHLCAT-AWEZNQCLSA-N 0 0 381.440 0.430 10 0 GCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)C1 ZINC000329720581 1196226895 /nfs/dbraw/zinc/22/68/95/1196226895.db2.gz DPMSJXKJXWEKOS-WCVJEAGWSA-N 0 0 393.513 0.894 10 0 GCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)C1 ZINC000329720578 1196226995 /nfs/dbraw/zinc/22/69/95/1196226995.db2.gz DPMSJXKJXWEKOS-FZKCQIBNSA-N 0 0 393.513 0.894 10 0 GCAERN COCCN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1=O ZINC000508454110 1196241638 /nfs/dbraw/zinc/24/16/38/1196241638.db2.gz SYVFEMLWWWQDEY-MRXNPFEDSA-N 0 0 375.425 0.735 10 0 GCAERN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CCS1(=O)=O ZINC000330116360 1196253795 /nfs/dbraw/zinc/25/37/95/1196253795.db2.gz VHIXJUSHEBYZSX-IVMMDQJWSA-N 0 0 396.513 0.754 10 0 GCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CCS1(=O)=O ZINC000330116362 1196254057 /nfs/dbraw/zinc/25/40/57/1196254057.db2.gz VHIXJUSHEBYZSX-XPKDYRNWSA-N 0 0 396.513 0.754 10 0 GCAERN O=C(CN1CCO[C@H](C2CC2)C1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000330150292 1196256288 /nfs/dbraw/zinc/25/62/88/1196256288.db2.gz VQYYVDSFJGKWCJ-ZACQAIPSSA-N 0 0 386.514 0.292 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1 ZINC000281154415 1196281325 /nfs/dbraw/zinc/28/13/25/1196281325.db2.gz GUBDSMAHJIISHQ-INIZCTEOSA-N 0 0 384.458 0.041 10 0 GCAERN O=C([C@H]1CC[C@@H](C(=O)N2CCO[C@H](C3CC3)C2)O1)N1CCO[C@H](C2CC2)C1 ZINC000330323138 1196284786 /nfs/dbraw/zinc/28/47/86/1196284786.db2.gz SUKOOKWOILBERC-MHORFTMASA-N 0 0 378.469 0.809 10 0 GCAERN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N(C)Cc2cnccn2)c1 ZINC000522754293 1196306745 /nfs/dbraw/zinc/30/67/45/1196306745.db2.gz WGLHMDXXIGXWNH-UHFFFAOYSA-N 0 0 379.394 0.871 10 0 GCAERN CCOC(=O)CN(C)C(=O)CN1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000522776837 1196312381 /nfs/dbraw/zinc/31/23/81/1196312381.db2.gz ACPLJQFJXSWQIH-UHFFFAOYSA-N 0 0 375.469 0.703 10 0 GCAERN O=C(CN1CCN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)CC1)N1CCCC1 ZINC000192626501 1196317357 /nfs/dbraw/zinc/31/73/57/1196317357.db2.gz NESMFAOMEUQRDD-UHFFFAOYSA-N 0 0 383.452 0.873 10 0 GCAERN C[C@@]1(C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CCC(=O)NC1 ZINC000281705635 1196324756 /nfs/dbraw/zinc/32/47/56/1196324756.db2.gz BKRHRKZHYGEJKF-DYESRHJHSA-N 0 0 384.480 0.852 10 0 GCAERN COc1ccc(N2C[C@H](C(=O)N3CCN(Cc4nnc(C)[nH]4)CC3)CC2=O)cc1 ZINC000522858600 1196354209 /nfs/dbraw/zinc/35/42/09/1196354209.db2.gz YIMHJGAQOBJKHJ-OAHLLOKOSA-N 0 0 398.467 0.819 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)N[C@H](C)c2ncn(C)n2)c1OC ZINC000444220716 1196363715 /nfs/dbraw/zinc/36/37/15/1196363715.db2.gz IPPUVGIYXQBCNT-SECBINFHSA-N 0 0 384.414 0.658 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)COc3ccc(N4CCCC4=O)cc3)CC2)[nH]1 ZINC000522919219 1196365851 /nfs/dbraw/zinc/36/58/51/1196365851.db2.gz NJWINZYFBYKVLC-UHFFFAOYSA-N 0 0 398.467 0.963 10 0 GCAERN CCO[C@H]1C[C@@](NS(=O)(=O)CCCN2CCOCC2)(C(=O)OC)C1(C)C ZINC000444274379 1196370173 /nfs/dbraw/zinc/37/01/73/1196370173.db2.gz AVWMDUAEYSGDHC-WMLDXEAASA-N 0 0 392.518 0.375 10 0 GCAERN COCCO[C@@H]1CCN(C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)C1 ZINC000444313553 1196373563 /nfs/dbraw/zinc/37/35/63/1196373563.db2.gz DJLXQBSUWAZVAU-GFCCVEGCSA-N 0 0 390.433 0.288 10 0 GCAERN CN(C)C(=O)C1CCN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1 ZINC000248058242 1196379437 /nfs/dbraw/zinc/37/94/37/1196379437.db2.gz YPLZNPNKJBXBOD-UHFFFAOYSA-N 0 0 378.448 0.834 10 0 GCAERN COc1ccccc1N1CC[C@@H](CNC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000116468110 1196382614 /nfs/dbraw/zinc/38/26/14/1196382614.db2.gz VLGHFZBQBOCCCT-AWEZNQCLSA-N 0 0 396.451 0.781 10 0 GCAERN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CC3CC3)cn2)C[C@H](C)O1 ZINC000475172546 1196388014 /nfs/dbraw/zinc/38/80/14/1196388014.db2.gz LBPNLPXRCBEQBT-BETUJISGSA-N 0 0 377.445 0.326 10 0 GCAERN O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)C(=O)NCC(F)F ZINC000444330686 1196391772 /nfs/dbraw/zinc/39/17/72/1196391772.db2.gz SQMWZFWHPWBRRZ-UHFFFAOYSA-N 0 0 389.424 0.610 10 0 GCAERN CC(=O)[C@H](C)CCCCC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000469881045 1196406692 /nfs/dbraw/zinc/40/66/92/1196406692.db2.gz NCXSVCILCFCHCU-CYBMUJFWSA-N 0 0 379.461 0.261 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@]2(CO)CC(C)C)c1 ZINC000475410823 1196411291 /nfs/dbraw/zinc/41/12/91/1196411291.db2.gz LPBDJAOBIYYSOE-GOSISDBHSA-N 0 0 397.497 0.933 10 0 GCAERN NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000523055645 1196451118 /nfs/dbraw/zinc/45/11/18/1196451118.db2.gz BLXCNYXAXWLDKA-UHFFFAOYSA-N 0 0 388.449 0.621 10 0 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/nfs/dbraw/zinc/17/28/77/1197172877.db2.gz YJTLSOPELCVPEZ-OAHLLOKOSA-N 0 0 377.470 0.607 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C(C)C)[C@@H](CO)C(C)C)c1 ZINC000453921303 1197174469 /nfs/dbraw/zinc/17/44/69/1197174469.db2.gz DTPOVQFSBFNYRL-HOTGVXAUSA-N 0 0 399.513 0.939 10 0 GCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CCS(=O)(=O)C1 ZINC000364328174 1197175096 /nfs/dbraw/zinc/17/50/96/1197175096.db2.gz BRJPTQCWIIFRBJ-HIFRSBDPSA-N 0 0 380.466 0.890 10 0 GCAERN C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CCS(=O)(=O)C1 ZINC000364328173 1197175100 /nfs/dbraw/zinc/17/51/00/1197175100.db2.gz BRJPTQCWIIFRBJ-DZGCQCFKSA-N 0 0 380.466 0.890 10 0 GCAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)cc12 ZINC000173417430 1197176748 /nfs/dbraw/zinc/17/67/48/1197176748.db2.gz HIOSKMHKQVUADS-ZDUSSCGKSA-N 0 0 389.485 0.958 10 0 GCAERN O=C(Nc1ccc2c(c1F)CCNC2=O)C(=O)N[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000453922299 1197177000 /nfs/dbraw/zinc/17/70/00/1197177000.db2.gz MEIVGIXAVLZNCZ-PBHICJAKSA-N 0 0 389.427 0.963 10 0 GCAERN Cc1cc(N2CC[C@H](N3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)n(C)n1 ZINC000173485837 1197177155 /nfs/dbraw/zinc/17/71/55/1197177155.db2.gz NBYVUMSLHAHNHW-HOTGVXAUSA-N 0 0 375.473 0.405 10 0 GCAERN O=C(Nc1ccc2c(c1F)CCNC2=O)C(=O)N[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000453922305 1197177409 /nfs/dbraw/zinc/17/74/09/1197177409.db2.gz MEIVGIXAVLZNCZ-YOEHRIQHSA-N 0 0 389.427 0.963 10 0 GCAERN CCN1C[C@@H](NC(=O)C(=O)Nc2cc(-c3cccc(OC)c3)nn2C)CC1=O ZINC000453921715 1197179169 /nfs/dbraw/zinc/17/91/69/1197179169.db2.gz GRUHGQPRFPRCCW-ZDUSSCGKSA-N 0 0 385.424 0.771 10 0 GCAERN Cc1nsc(N2CCCN([C@@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)n1 ZINC000174161013 1197179995 /nfs/dbraw/zinc/17/99/95/1197179995.db2.gz UJRDWMTUTKIRJD-LBPRGKRZSA-N 0 0 380.518 0.484 10 0 GCAERN CC(C)Cn1ccnc1CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000175128537 1197183088 /nfs/dbraw/zinc/18/30/88/1197183088.db2.gz YMQLCJGQYWUAGT-UHFFFAOYSA-N 0 0 386.391 0.909 10 0 GCAERN Cn1cc(N2CCC[C@H](NC(=O)C(=O)Nc3ccccc3-n3ccnn3)C2)cn1 ZINC000175227949 1197183883 /nfs/dbraw/zinc/18/38/83/1197183883.db2.gz VMPDWIIFDWTVGP-AWEZNQCLSA-N 0 0 394.439 0.725 10 0 GCAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCN(CC(N)=O)CC1)CC2 ZINC000177022200 1197188225 /nfs/dbraw/zinc/18/82/25/1197188225.db2.gz NREVYFAECQZGEL-NSHDSACASA-N 0 0 385.390 0.538 10 0 GCAERN Cn1ccnc1CN1CCC(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000177174013 1197188889 /nfs/dbraw/zinc/18/88/89/1197188889.db2.gz RKOTUTZNASQMCE-HOTGVXAUSA-N 0 0 397.545 0.466 10 0 GCAERN Cn1cc(N2CCC[C@H](NC(=O)C(=O)Nc3c[nH]nc3-c3ccccn3)C2)cn1 ZINC000180581836 1197201837 /nfs/dbraw/zinc/20/18/37/1197201837.db2.gz BCGGBNKXLHMZFJ-ZDUSSCGKSA-N 0 0 394.439 0.929 10 0 GCAERN CCCN(C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000180651520 1197201875 /nfs/dbraw/zinc/20/18/75/1197201875.db2.gz SSPGGOYTZCWDNJ-GJZGRUSLSA-N 0 0 383.518 0.998 10 0 GCAERN Cn1cc(S(=O)(=O)NCCN2CCC[C@@H](c3nncn3C3CC3)C2)cn1 ZINC000180864702 1197202373 /nfs/dbraw/zinc/20/23/73/1197202373.db2.gz YZNUJSGPIQTVMS-CYBMUJFWSA-N 0 0 379.490 0.504 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCCN3c3ccccc32)C1 ZINC000532383062 1197202975 /nfs/dbraw/zinc/20/29/75/1197202975.db2.gz JFZNBXLUZSNCED-GJZGRUSLSA-N 0 0 385.468 0.922 10 0 GCAERN CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccnc(-n3ccnc3)c2)n(C)c1 ZINC000181095482 1197203228 /nfs/dbraw/zinc/20/32/28/1197203228.db2.gz IALHPRVFMVHHNK-UHFFFAOYSA-N 0 0 388.453 0.786 10 0 GCAERN Cn1c(=O)ccn(CC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1=O ZINC000181325566 1197203717 /nfs/dbraw/zinc/20/37/17/1197203717.db2.gz LYPHYMCDFGOUIB-OAHLLOKOSA-N 0 0 394.435 0.738 10 0 GCAERN O=C(NCCNC(=O)N1CCC(c2nnc3ccccn32)CC1)c1ccn[nH]1 ZINC000181699599 1197205283 /nfs/dbraw/zinc/20/52/83/1197205283.db2.gz RWPDZAOWIDFVKS-UHFFFAOYSA-N 0 0 382.428 0.771 10 0 GCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CC(=O)N1 ZINC000453926427 1197207205 /nfs/dbraw/zinc/20/72/05/1197207205.db2.gz XPPKUHALYWHOJC-ZDUSSCGKSA-N 0 0 396.451 0.957 10 0 GCAERN COCCCNC(=O)[C@H](C)N1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000184997251 1197213408 /nfs/dbraw/zinc/21/34/08/1197213408.db2.gz XXKSLCDWIHZLKC-HNNXBMFYSA-N 0 0 390.488 0.734 10 0 GCAERN CCCCn1c2nc(CN3CCO[C@]4(CCOC4)C3)n(CC)c2c(=O)[nH]c1=O ZINC000185185083 1197213733 /nfs/dbraw/zinc/21/37/33/1197213733.db2.gz VJPHCYMZHZIAPI-LJQANCHMSA-N 0 0 391.472 0.698 10 0 GCAERN CC(C)Cn1c(N)c(C(=O)CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000263071720 1197224461 /nfs/dbraw/zinc/22/44/61/1197224461.db2.gz POJKXBCKQQIUKZ-BXUZGUMPSA-N 0 0 380.445 0.153 10 0 GCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)c1 ZINC000453933137 1197226536 /nfs/dbraw/zinc/22/65/36/1197226536.db2.gz LPXYAYCTXYSJFU-OKILXGFUSA-N 0 0 376.457 0.521 10 0 GCAERN Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCCC[C@@]2(C)C(N)=O)c1 ZINC000185962650 1197226944 /nfs/dbraw/zinc/22/69/44/1197226944.db2.gz LDOWGLMJIHQMIC-KRWDZBQOSA-N 0 0 375.408 0.778 10 0 GCAERN CNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)co1 ZINC000186236582 1197227357 /nfs/dbraw/zinc/22/73/57/1197227357.db2.gz FLSWDDSZLGJTRC-UHFFFAOYSA-N 0 0 379.442 0.751 10 0 GCAERN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000055982508 1197231307 /nfs/dbraw/zinc/23/13/07/1197231307.db2.gz PGMOZBJSSVRMSV-CYBMUJFWSA-N 0 0 390.465 0.482 10 0 GCAERN NC(=O)c1ccc(NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c(F)c1 ZINC000475787879 1197231423 /nfs/dbraw/zinc/23/14/23/1197231423.db2.gz OUDMIVGXQGTVTH-UHFFFAOYSA-N 0 0 391.447 0.990 10 0 GCAERN C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189681739 1197237970 /nfs/dbraw/zinc/23/79/70/1197237970.db2.gz CLSJPWKDGNZNOO-JSGCOSHPSA-N 0 0 381.502 0.101 10 0 GCAERN C[C@H](NC(=O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1)C(=O)N1CCCCC1 ZINC000189689623 1197238045 /nfs/dbraw/zinc/23/80/45/1197238045.db2.gz LHBNLZYCOYDODW-HNNXBMFYSA-N 0 0 388.516 0.926 10 0 GCAERN O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1csc(C(F)(F)F)n1 ZINC000189899276 1197239252 /nfs/dbraw/zinc/23/92/52/1197239252.db2.gz IFYXLSWOSBTHIR-SNVBAGLBSA-N 0 0 392.403 0.825 10 0 GCAERN CCc1nc(C2CCN([C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)n[nH]1 ZINC000190644370 1197241451 /nfs/dbraw/zinc/24/14/51/1197241451.db2.gz CCZPSVMYZFEOHV-OCCSQVGLSA-N 0 0 383.518 0.581 10 0 GCAERN O=C(NCc1cnn(-c2ccccc2)c1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000064024415 1197241608 /nfs/dbraw/zinc/24/16/08/1197241608.db2.gz LMLRIPFCAQQDQP-GOSISDBHSA-N 0 0 397.479 0.669 10 0 GCAERN Cn1cc([C@@H]2CSCCN2C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cn1 ZINC000191994829 1197244797 /nfs/dbraw/zinc/24/47/97/1197244797.db2.gz HQIFCTDKECHIPX-HNNXBMFYSA-N 0 0 385.449 0.740 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000192527086 1197247578 /nfs/dbraw/zinc/24/75/78/1197247578.db2.gz KEUYBDNMMZRXSF-ZDUSSCGKSA-N 0 0 378.388 0.932 10 0 GCAERN O=C(NCCCN1CCCC1=O)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000170315890 1197253335 /nfs/dbraw/zinc/25/33/35/1197253335.db2.gz BTHGLWMFRJQWCI-UHFFFAOYSA-N 0 0 376.432 0.603 10 0 GCAERN O=C(NCCCN1CCCC1=O)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000170316197 1197253416 /nfs/dbraw/zinc/25/34/16/1197253416.db2.gz MAPKWERWPSLYLJ-UHFFFAOYSA-N 0 0 376.432 0.603 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000909672072 1197274529 /nfs/dbraw/zinc/27/45/29/1197274529.db2.gz NUBATCCNZFEKDQ-OAHLLOKOSA-N 0 0 384.816 0.626 10 0 GCAERN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)[C@H]3CN(C(C)=O)CCO3)ccc21 ZINC000909674154 1197286569 /nfs/dbraw/zinc/28/65/69/1197286569.db2.gz PBJVPUISSWJMQK-KZULUSFZSA-N 0 0 388.420 0.957 10 0 GCAERN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)[C@H]3CN(C(C)=O)CCO3)ccc21 ZINC000909674153 1197286582 /nfs/dbraw/zinc/28/65/82/1197286582.db2.gz PBJVPUISSWJMQK-KPZWWZAWSA-N 0 0 388.420 0.957 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)NCCOc2c(C)cccc2C)C1 ZINC000909674245 1197286717 /nfs/dbraw/zinc/28/67/17/1197286717.db2.gz CXNSKXICKRLPCA-INIZCTEOSA-N 0 0 378.425 0.589 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)NCCCOc2ccccc2F)C1 ZINC000909675412 1197290891 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Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H](O)C(F)F)C1 ZINC000475222679 530723279 /nfs/dbraw/zinc/72/32/79/530723279.db2.gz FNFDOSGKMMHFIZ-WDEREUQCSA-N 0 0 380.417 0.169 10 0 GCAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H](O)C(F)F)C1 ZINC000475222676 530723483 /nfs/dbraw/zinc/72/34/83/530723483.db2.gz FNFDOSGKMMHFIZ-GHMZBOCLSA-N 0 0 380.417 0.169 10 0 GCAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H](O)C(F)F)C1 ZINC000475222677 530723764 /nfs/dbraw/zinc/72/37/64/530723764.db2.gz FNFDOSGKMMHFIZ-MNOVXSKESA-N 0 0 380.417 0.169 10 0 GCAERN CNC(=O)Cn1cc(NC(=O)c2cnn3cc(Br)cnc23)cn1 ZINC000179446427 530725622 /nfs/dbraw/zinc/72/56/22/530725622.db2.gz TYZOVKMOWWOVMF-UHFFFAOYSA-N 0 0 378.190 0.687 10 0 GCAERN Cc1nccc(C[S@](=O)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)n1 ZINC000479824841 530759994 /nfs/dbraw/zinc/75/99/94/530759994.db2.gz YWFSNJMAUITTBK-DEOSSOPVSA-N 0 0 390.531 0.210 10 0 GCAERN CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)C2=Cc3cc(OC)ccc3CC2)C1 ZINC000371987144 530760639 /nfs/dbraw/zinc/76/06/39/530760639.db2.gz VFZXIWXSFARWLF-INIZCTEOSA-N 0 0 386.495 0.936 10 0 GCAERN C[C@@](O)(CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000480864749 530771499 /nfs/dbraw/zinc/77/14/99/530771499.db2.gz GXACPYCKHHLLNU-OAHLLOKOSA-N 0 0 376.500 0.944 10 0 GCAERN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCSC[C@H]2CCO)cc1C ZINC000480918886 530773267 /nfs/dbraw/zinc/77/32/67/530773267.db2.gz DAEJJYVDQCLRGV-GFCCVEGCSA-N 0 0 394.540 0.392 10 0 GCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)C1 ZINC000373139017 530777900 /nfs/dbraw/zinc/77/79/00/530777900.db2.gz SSFNMCUSYBEDGY-GHMZBOCLSA-N 0 0 383.396 0.747 10 0 GCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(OC)c(S(N)(=O)=O)s1 ZINC000615815024 530779801 /nfs/dbraw/zinc/77/98/01/530779801.db2.gz JBUOHNZVOGLHHX-AUTRQRHGSA-N 0 0 388.467 0.818 10 0 GCAERN CC1(C)CN(C/C=C/CN2CCS(=O)(=O)C(C)(C)C2)CCS1(=O)=O ZINC000155267625 530780147 /nfs/dbraw/zinc/78/01/47/530780147.db2.gz UERREYVXBIHGJZ-AATRIKPKSA-N 0 0 378.560 0.561 10 0 GCAERN CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)CC1 ZINC000045859859 530780611 /nfs/dbraw/zinc/78/06/11/530780611.db2.gz GSOBPDMPOGLAPL-LBPRGKRZSA-N 0 0 386.499 0.744 10 0 GCAERN CCN(CCCNC(=O)N1CCC[C@](O)(C(F)(F)F)C1)S(C)(=O)=O ZINC000482269418 530783923 /nfs/dbraw/zinc/78/39/23/530783923.db2.gz RPGBGLNUUODKFZ-GFCCVEGCSA-N 0 0 375.413 0.757 10 0 GCAERN C[C@@H](CC(N)=O)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000482305527 530784671 /nfs/dbraw/zinc/78/46/71/530784671.db2.gz BVUHSGGTUKCGDR-QMMMGPOBSA-N 0 0 382.214 0.815 10 0 GCAERN COCCN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000108852927 530786451 /nfs/dbraw/zinc/78/64/51/530786451.db2.gz YWFARRVTOZVJQP-CHWSQXEVSA-N 0 0 386.436 0.923 10 0 GCAERN CN(CCNC(=O)N1CCN2CCOC[C@@H]2C1)S(=O)(=O)c1cccs1 ZINC000375209293 530799919 /nfs/dbraw/zinc/79/99/19/530799919.db2.gz FBEOXCSHGWPWLW-ZDUSSCGKSA-N 0 0 388.515 0.095 10 0 GCAERN CCNC(=O)CNS(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000486688719 530806717 /nfs/dbraw/zinc/80/67/17/530806717.db2.gz YASLXUDGSLNWKW-UHFFFAOYSA-N 0 0 395.275 0.889 10 0 GCAERN COCCOc1ccc(Br)cc1S(=O)(=O)NCC(=O)N(C)C ZINC000486660298 530806766 /nfs/dbraw/zinc/80/67/66/530806766.db2.gz SKFOBDMLHBQYTA-UHFFFAOYSA-N 0 0 395.275 0.841 10 0 GCAERN CCN1CC[C@@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1=O ZINC000669984644 530788420 /nfs/dbraw/zinc/78/84/20/530788420.db2.gz UYMRSMRBFNXDQM-GFCCVEGCSA-N 0 0 379.435 0.096 10 0 GCAERN COC(=O)c1csc(S(=O)(=O)N2CCN(Cc3ncccn3)CC2)c1 ZINC000483519040 530789839 /nfs/dbraw/zinc/78/98/39/530789839.db2.gz ONQSUUJBXJGDLK-UHFFFAOYSA-N 0 0 382.467 0.831 10 0 GCAERN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000122055783 530793593 /nfs/dbraw/zinc/79/35/93/530793593.db2.gz WZPIWGSSULVWBY-NSHDSACASA-N 0 0 383.861 0.927 10 0 GCAERN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCS(=O)(=O)[C@@H](C)C3)ccc21 ZINC000377768523 530829630 /nfs/dbraw/zinc/82/96/30/530829630.db2.gz JOKPJIAVSCTMJR-LBPRGKRZSA-N 0 0 386.495 0.793 10 0 GCAERN Cn1ccc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)n1 ZINC000498585900 530830220 /nfs/dbraw/zinc/83/02/20/530830220.db2.gz VVVYTHJOQIOJEK-UHFFFAOYSA-N 0 0 384.483 0.496 10 0 GCAERN C[C@H]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](c2ccco2)C1 ZINC000378040481 530833125 /nfs/dbraw/zinc/83/31/25/530833125.db2.gz DYPFSZHBULAMIJ-UONOGXRCSA-N 0 0 391.515 0.875 10 0 GCAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000268350988 530807669 /nfs/dbraw/zinc/80/76/69/530807669.db2.gz IVDCKTBNYQCTTB-UHFFFAOYSA-N 0 0 378.472 0.488 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000487355172 530812137 /nfs/dbraw/zinc/81/21/37/530812137.db2.gz PCJKDUVTQCWAAT-JGVFFNPUSA-N 0 0 382.360 0.839 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000487365072 530812314 /nfs/dbraw/zinc/81/23/14/530812314.db2.gz LEEYIBGRSDBLOO-RKDXNWHRSA-N 0 0 392.455 0.269 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)Cc1c(F)cccc1F ZINC000487368195 530812527 /nfs/dbraw/zinc/81/25/27/530812527.db2.gz QIKURWZMSDAIGT-VHSXEESVSA-N 0 0 378.397 0.841 10 0 GCAERN C[C@@H](C[S@](C)=O)NC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000376352968 530813681 /nfs/dbraw/zinc/81/36/81/530813681.db2.gz PJONIARTQBLFCQ-MCFWBGNESA-N 0 0 385.511 0.540 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cn1cc(Br)cn1 ZINC000488319226 530816789 /nfs/dbraw/zinc/81/67/89/530816789.db2.gz YNIMZNWREKJNFF-RKDXNWHRSA-N 0 0 375.223 0.218 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCS(=O)(=O)C1CCCC1 ZINC000488287547 530816982 /nfs/dbraw/zinc/81/69/82/530816982.db2.gz BQIXBKDQBWWLSC-VXGBXAGGSA-N 0 0 376.475 0.306 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCS(=O)(=O)C1CCCC1 ZINC000488287544 530817078 /nfs/dbraw/zinc/81/70/78/530817078.db2.gz BQIXBKDQBWWLSC-NEPJUHHUSA-N 0 0 376.475 0.306 10 0 GCAERN COC(=O)[C@@H]1C[C@H](F)CN1CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000619512986 530819382 /nfs/dbraw/zinc/81/93/82/530819382.db2.gz CYELGKUVMJRZTQ-ZANVPECISA-N 0 0 376.381 0.753 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)NC2CC(NS(C)(=O)=O)C2)c(C)c1 ZINC000619752150 530823387 /nfs/dbraw/zinc/82/33/87/530823387.db2.gz JEXCCZQZAPOJJP-UHFFFAOYSA-N 0 0 376.456 0.140 10 0 GCAERN CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)C1=O ZINC000619843102 530823497 /nfs/dbraw/zinc/82/34/97/530823497.db2.gz DIPJVNLKNGTAOE-YMXBGEKHSA-N 0 0 385.873 0.894 10 0 GCAERN CCN1CC[C@H](NC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1=O ZINC000670046420 530825610 /nfs/dbraw/zinc/82/56/10/530825610.db2.gz MJAVKYWENGOOOU-RYUDHWBXSA-N 0 0 383.246 0.896 10 0 GCAERN C[C@H]1C(=O)N(C)CCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000494746011 530846559 /nfs/dbraw/zinc/84/65/59/530846559.db2.gz FULCECCDYYFTKX-STQMWFEESA-N 0 0 385.511 0.980 10 0 GCAERN O=C(c1nc2ncc(Br)cn2n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172753141 530847149 /nfs/dbraw/zinc/84/71/49/530847149.db2.gz XSDBEROSQAMQGU-LLVKDONJSA-N 0 0 381.234 0.434 10 0 GCAERN Cc1csc([C@H]2CCCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)n1 ZINC000173818320 530847772 /nfs/dbraw/zinc/84/77/72/530847772.db2.gz LHBBHTRUUWDTNH-NSHDSACASA-N 0 0 384.483 0.417 10 0 GCAERN CC(=O)N1CCN(C(=O)CS(=O)(=O)c2cc(C(F)(F)F)ccn2)CC1 ZINC000656558200 530850549 /nfs/dbraw/zinc/85/05/49/530850549.db2.gz BRGKIBZORMSXCK-UHFFFAOYSA-N 0 0 379.360 0.565 10 0 GCAERN C[C@H](CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)CS(C)(=O)=O ZINC000176954743 530850876 /nfs/dbraw/zinc/85/08/76/530850876.db2.gz MMGPDEQTJOKQHW-GFCCVEGCSA-N 0 0 396.481 0.952 10 0 GCAERN O=C(NC[C@H]1CN2CCN1CC2)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000178962742 530852078 /nfs/dbraw/zinc/85/20/78/530852078.db2.gz JWESZLNCJKNBQK-NSHDSACASA-N 0 0 377.495 0.926 10 0 GCAERN Cc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178958531 530852323 /nfs/dbraw/zinc/85/23/23/530852323.db2.gz FNIYPRCISPHHGV-ZDUSSCGKSA-N 0 0 381.274 0.812 10 0 GCAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(OCC(F)(F)F)nc1 ZINC000182874605 530854244 /nfs/dbraw/zinc/85/42/44/530854244.db2.gz HVRUPXPKGHZQKZ-SECBINFHSA-N 0 0 377.348 0.908 10 0 GCAERN C[C@H](CS(C)(=O)=O)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000499253831 530854401 /nfs/dbraw/zinc/85/44/01/530854401.db2.gz IZXAITFEUICKAA-LLVKDONJSA-N 0 0 382.463 0.898 10 0 GCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000183365475 530854963 /nfs/dbraw/zinc/85/49/63/530854963.db2.gz WRMCZZGEJCICCX-SECBINFHSA-N 0 0 385.186 0.602 10 0 GCAERN CN(CCOc1ccc(Br)cc1)C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185163304 530855194 /nfs/dbraw/zinc/85/51/94/530855194.db2.gz CVAWMWGKWNEUQG-ZIAGYGMSSA-N 0 0 387.274 0.714 10 0 GCAERN C[C@@H]1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C[C@@H]1N1CCOCC1 ZINC000185098024 530855478 /nfs/dbraw/zinc/85/54/78/530855478.db2.gz ZCXITNCLGOTWFF-YPMHNXCESA-N 0 0 382.408 0.787 10 0 GCAERN COCCN1CCCN(C(=O)c2cnn3cc(Br)cnc23)CC1=O ZINC000189054387 530865706 /nfs/dbraw/zinc/86/57/06/530865706.db2.gz YZOTUGSYBLSOPY-UHFFFAOYSA-N 0 0 396.245 0.813 10 0 GCAERN COCCN1CCCN(C(=O)c2cc(I)c[nH]2)CC1=O ZINC000189058955 530866013 /nfs/dbraw/zinc/86/60/13/530866013.db2.gz KLVRXUUQNGWNOI-UHFFFAOYSA-N 0 0 391.209 0.940 10 0 GCAERN CC(=O)N1CCc2sc(S(=O)(=O)N(CCO)[C@H]3CCO[C@@H]3C)cc2C1 ZINC000657006571 530867669 /nfs/dbraw/zinc/86/76/69/530867669.db2.gz SUALAMYUAWCECN-RISCZKNCSA-N 0 0 388.511 0.813 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000378618135 530840199 /nfs/dbraw/zinc/84/01/99/530840199.db2.gz SLEUNDCGBBRADQ-CABCVRRESA-N 0 0 389.543 0.761 10 0 GCAERN C[C@H](NC(=O)N1CCC(CNS(C)(=O)=O)CC1)[C@H](C)N1CCOCC1 ZINC000493936679 530840961 /nfs/dbraw/zinc/84/09/61/530840961.db2.gz ZAESKJJNRVLULZ-KBPBESRZSA-N 0 0 376.523 0.066 10 0 GCAERN NC(=O)CSCC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000522813718 530841276 /nfs/dbraw/zinc/84/12/76/530841276.db2.gz CHKFXLJBODUTRP-UHFFFAOYSA-N 0 0 385.873 0.608 10 0 GCAERN CNS(=O)(=O)C[C@H]1CCCN1c1cc(Br)cnc1C(N)=O ZINC000681147250 530843683 /nfs/dbraw/zinc/84/36/83/530843683.db2.gz ADSYLUGYCVSIQR-SECBINFHSA-N 0 0 377.264 0.461 10 0 GCAERN Cc1ncc(CS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1 ZINC000507802151 530907438 /nfs/dbraw/zinc/90/74/38/530907438.db2.gz RJIOYCKSTCMWOF-UHFFFAOYSA-N 0 0 382.467 0.938 10 0 GCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O ZINC000328608721 530910098 /nfs/dbraw/zinc/91/00/98/530910098.db2.gz BBMJMVMYHKRGJL-SNVBAGLBSA-N 0 0 386.865 0.589 10 0 GCAERN O=C([C@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCS(=O)CC1 ZINC000108276173 530931577 /nfs/dbraw/zinc/93/15/77/530931577.db2.gz QQDYOHKCEZNUTI-GFCCVEGCSA-N 0 0 376.525 0.882 10 0 GCAERN O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCn2cnnc2C1 ZINC000110582777 530932106 /nfs/dbraw/zinc/93/21/06/530932106.db2.gz CBTIEGXMVHTKCM-LBPRGKRZSA-N 0 0 381.483 0.925 10 0 GCAERN CN(CC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1)S(C)(=O)=O ZINC000110980276 530932358 /nfs/dbraw/zinc/93/23/58/530932358.db2.gz DAXXOORABHSSDC-LBPRGKRZSA-N 0 0 375.441 0.937 10 0 GCAERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112651913 530932788 /nfs/dbraw/zinc/93/27/88/530932788.db2.gz MVAGIQJQLAWEMV-JQWIXIFHSA-N 0 0 383.861 0.730 10 0 GCAERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112651911 530932879 /nfs/dbraw/zinc/93/28/79/530932879.db2.gz MVAGIQJQLAWEMV-CMPLNLGQSA-N 0 0 383.861 0.730 10 0 GCAERN CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)C1 ZINC000332698720 530934866 /nfs/dbraw/zinc/93/48/66/530934866.db2.gz NMOOFBRDBIBMQJ-GXTWGEPZSA-N 0 0 389.543 0.476 10 0 GCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1nc3ncc(Br)cn3n1)CC2 ZINC000114866944 530933374 /nfs/dbraw/zinc/93/33/74/530933374.db2.gz IXZOCODXFMCYDO-VIFPVBQESA-N 0 0 391.233 0.786 10 0 GCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1sccc1S(=O)(=O)N(C)C)CC2 ZINC000114866380 530933697 /nfs/dbraw/zinc/93/36/97/530933697.db2.gz HUENQMDGHVBKMZ-JTQLQIEISA-N 0 0 383.499 0.897 10 0 GCAERN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCc2ccn(C)n2)c1 ZINC000509210231 530916754 /nfs/dbraw/zinc/91/67/54/530916754.db2.gz JLSXSULBINRCLU-UHFFFAOYSA-N 0 0 386.499 0.929 10 0 GCAERN COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000610714513 530920333 /nfs/dbraw/zinc/92/03/33/530920333.db2.gz UTRLFIKXCOKLQX-UONOGXRCSA-N 0 0 375.491 0.530 10 0 GCAERN O=C(Cc1ccc(F)c(Br)c1)NC[C@@H](O)CN1CCOCC1 ZINC000125499794 530921434 /nfs/dbraw/zinc/92/14/34/530921434.db2.gz SKYHDHJCQYGKHL-GFCCVEGCSA-N 0 0 375.238 0.940 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)c(C)c1 ZINC000610759275 530921573 /nfs/dbraw/zinc/92/15/73/530921573.db2.gz YHAYOBDMRIWECN-UHFFFAOYSA-N 0 0 375.468 0.979 10 0 GCAERN CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[C@H](NC(N)=O)C2)c1OC ZINC000510033269 530923556 /nfs/dbraw/zinc/92/35/56/530923556.db2.gz CRWTZXKLEDTKNT-VIFPVBQESA-N 0 0 390.849 0.140 10 0 GCAERN Cc1sc(=O)n(CCC(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1C ZINC000120021759 530934525 /nfs/dbraw/zinc/93/45/25/530934525.db2.gz YCMGPINKHKFPOT-CQSZACIVSA-N 0 0 387.527 0.943 10 0 GCAERN O=S(=O)(c1cc(Br)cc2c1OCC2)N1CCO[C@@H](CO)C1 ZINC000273411604 530924771 /nfs/dbraw/zinc/92/47/71/530924771.db2.gz CIGBFZBEJDAMIM-LLVKDONJSA-N 0 0 378.244 0.766 10 0 GCAERN O=S(=O)(c1cc(Br)cc2c1OCC2)N1CCO[C@H](CO)C1 ZINC000273411607 530924978 /nfs/dbraw/zinc/92/49/78/530924978.db2.gz CIGBFZBEJDAMIM-NSHDSACASA-N 0 0 378.244 0.766 10 0 GCAERN CCn1nc(C)c(S(=O)(=O)N2CCC(CNS(C)(=O)=O)CC2)c1C ZINC000510362143 530925801 /nfs/dbraw/zinc/92/58/01/530925801.db2.gz GPJSUPVWWZIFDG-UHFFFAOYSA-N 0 0 378.520 0.470 10 0 GCAERN Cn1cnc2cc(S(=O)(=O)N3CCC(CNS(C)(=O)=O)CC3)ccc21 ZINC000510449720 530927185 /nfs/dbraw/zinc/92/71/85/530927185.db2.gz NEPYFXHQGOOCHT-UHFFFAOYSA-N 0 0 386.499 0.523 10 0 GCAERN COC(=O)CNC(=O)[C@@H](C)N1CCN(c2ccc(Br)cn2)CC1 ZINC000042146458 530928445 /nfs/dbraw/zinc/92/84/45/530928445.db2.gz ZSDGLFJJANIZQM-LLVKDONJSA-N 0 0 385.262 0.644 10 0 GCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)C1 ZINC000378208745 530963887 /nfs/dbraw/zinc/96/38/87/530963887.db2.gz WRKUXQZXKLATQT-STQMWFEESA-N 0 0 391.559 0.863 10 0 GCAERN O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CCSC[C@H]1CCO ZINC000511279501 530934899 /nfs/dbraw/zinc/93/48/99/530934899.db2.gz IKXPQBPFNKJRTO-CYBMUJFWSA-N 0 0 376.475 0.821 10 0 GCAERN Cn1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000511782766 530939613 /nfs/dbraw/zinc/93/96/13/530939613.db2.gz CEQICZHQBBEGBW-UHFFFAOYSA-N 0 0 389.840 0.990 10 0 GCAERN NS(=O)(=O)c1ccc(CNC(=O)c2c[nH]c(=O)c(Br)c2)cc1 ZINC000172929741 530941475 /nfs/dbraw/zinc/94/14/75/530941475.db2.gz ABJVDOVYENVYFQ-UHFFFAOYSA-N 0 0 386.227 0.715 10 0 GCAERN NC(=O)c1ncc(Br)cc1N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000671467777 530941778 /nfs/dbraw/zinc/94/17/78/530941778.db2.gz GYYKDPBXRYJJBE-INIZCTEOSA-N 0 0 397.273 0.897 10 0 GCAERN Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3cscn3)CC2)cn1C ZINC000050403601 530945629 /nfs/dbraw/zinc/94/56/29/530945629.db2.gz VBXIOOWVSSJORX-UHFFFAOYSA-N 0 0 383.499 0.902 10 0 GCAERN O=S(=O)(N1CCOCC1)N1CCN(c2ncc(C(F)(F)F)s2)CC1 ZINC000302770438 530947886 /nfs/dbraw/zinc/94/78/86/530947886.db2.gz MUFTUKQHPQDLRT-UHFFFAOYSA-N 0 0 386.421 0.861 10 0 GCAERN O=C(NC[C@H](O)CN1CCOCC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194095367 530949625 /nfs/dbraw/zinc/94/96/25/530949625.db2.gz 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530975718 /nfs/dbraw/zinc/97/57/18/530975718.db2.gz HBYWZJAZOVJRGD-LBPRGKRZSA-N 0 0 383.495 0.335 10 0 GCAERN C[S@](=O)CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000522628816 530977693 /nfs/dbraw/zinc/97/76/93/530977693.db2.gz GIVKFZGGBASUBR-QFIPXVFZSA-N 0 0 394.540 0.518 10 0 GCAERN O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCNC(=O)CC1 ZINC000068257699 530978249 /nfs/dbraw/zinc/97/82/49/530978249.db2.gz DNOKPVIVRZOPAN-UHFFFAOYSA-N 0 0 379.214 0.508 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCn1cc(Br)cn1 ZINC000618719853 530982701 /nfs/dbraw/zinc/98/27/01/530982701.db2.gz BVTNMSDACATANV-NXEZZACHSA-N 0 0 389.250 0.608 10 0 GCAERN Cc1csc([C@H](C)NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000571947814 530982820 /nfs/dbraw/zinc/98/28/20/530982820.db2.gz RIZIHHZOESIDSG-IUCAKERBSA-N 0 0 378.376 0.908 10 0 GCAERN Cn1nc(Br)c2c1ncn(CC(=O)N[C@@H]1C[C@@H]3OCCC[C@@H]13)c2=O ZINC000251918416 530983862 /nfs/dbraw/zinc/98/38/62/530983862.db2.gz SFRYIZJCGZBGQS-AEJSXWLSSA-N 0 0 396.245 0.576 10 0 GCAERN 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ZINC000375745935 531067263 /nfs/dbraw/zinc/06/72/63/531067263.db2.gz RRVQPBQXWWRLDR-GRYCIOLGSA-N 0 0 387.424 0.130 10 0 GCAERN COc1c(F)cc(CC(=O)N[C@@H](CO)CC(F)(F)F)cc1S(N)(=O)=O ZINC000538883137 531037737 /nfs/dbraw/zinc/03/77/37/531037737.db2.gz NQWHHEVHVSGXIZ-MRVPVSSYSA-N 0 0 388.339 0.454 10 0 GCAERN O=C(NCCNS(=O)(=O)c1cccs1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000533340889 531039655 /nfs/dbraw/zinc/03/96/55/531039655.db2.gz QMYWRXSQLHPKQK-OAHLLOKOSA-N 0 0 386.499 0.338 10 0 GCAERN O=C(CO)N1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000612401327 531041576 /nfs/dbraw/zinc/04/15/76/531041576.db2.gz BOSHNWVZEUREPT-UHFFFAOYSA-N 0 0 398.204 0.875 10 0 GCAERN NC(=O)[C@@H]1CN(c2ncnc3cccc(I)c32)CCO1 ZINC000612400365 531041641 /nfs/dbraw/zinc/04/16/41/531041641.db2.gz RRYVKFFTJGHLQL-JTQLQIEISA-N 0 0 384.177 0.925 10 0 GCAERN O=C(CNC(=O)c1ccc(Br)o1)NC[C@]1(CCO)CCOC1 ZINC000119085999 531042011 /nfs/dbraw/zinc/04/20/11/531042011.db2.gz VTAJNACCGDFARP-AWEZNQCLSA-N 0 0 375.219 0.677 10 0 GCAERN C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc[nH]n1 ZINC000539758627 531044283 /nfs/dbraw/zinc/04/42/83/531044283.db2.gz ZVZLEHILLGWLHJ-NSHDSACASA-N 0 0 385.471 0.629 10 0 GCAERN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1(C(N)=O)CC1 ZINC000119685550 531044515 /nfs/dbraw/zinc/04/45/15/531044515.db2.gz XPJIWKHUCOVNPB-VIFPVBQESA-N 0 0 389.271 0.993 10 0 GCAERN CCS(=O)(=O)c1cccc(C(=O)N2CCC(NS(=O)(=O)NC)CC2)c1 ZINC000539921477 531045407 /nfs/dbraw/zinc/04/54/07/531045407.db2.gz ZBGKBMGFUMRYHZ-UHFFFAOYSA-N 0 0 389.499 0.139 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)N[C@@H](C)[C@H](CO)SC)c1OC ZINC000537041850 531046663 /nfs/dbraw/zinc/04/66/63/531046663.db2.gz ICFDVFZYNLWNEB-ONGXEEELSA-N 0 0 393.483 0.881 10 0 GCAERN NC(=O)CCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000537169910 531049097 /nfs/dbraw/zinc/04/90/97/531049097.db2.gz LCLFWJUTNJEEDX-UHFFFAOYSA-N 0 0 389.499 0.405 10 0 GCAERN COCC[C@@H](NS(=O)(=O)c1cc(Br)ccc1OC)C(N)=O ZINC000540484809 531050511 /nfs/dbraw/zinc/05/05/11/531050511.db2.gz PZMCWQZZWPQOBN-SECBINFHSA-N 0 0 381.248 0.626 10 0 GCAERN CC(C)(CNc1ccc2nnc(C(F)(F)F)n2n1)N1CCS(=O)CC1 ZINC000329529730 531055945 /nfs/dbraw/zinc/05/59/45/531055945.db2.gz UAYFBRVRVZHMBW-UHFFFAOYSA-N 0 0 376.408 1.398 10 0 GCAERN CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262736662 531057535 /nfs/dbraw/zinc/05/75/35/531057535.db2.gz AKMPVLBTTXCGSF-WCQYABFASA-N 0 0 391.515 0.733 10 0 GCAERN O=C(NCCN1CCS(=O)(=O)CC1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000129561865 531058785 /nfs/dbraw/zinc/05/87/85/531058785.db2.gz GRMIMSWRODCALR-UHFFFAOYSA-N 0 0 382.873 0.986 10 0 GCAERN COc1c(F)cc(CC(=O)N(C)C[C@H](O)C(F)(F)F)cc1S(N)(=O)=O ZINC000541821699 531061022 /nfs/dbraw/zinc/06/10/22/531061022.db2.gz VQJDHVHUYWQHSU-JTQLQIEISA-N 0 0 388.339 0.406 10 0 GCAERN O=C(Nc1nnc2ccc(Br)cn21)N[C@H]1CCCS(=O)(=O)C1 ZINC000333625138 531076269 /nfs/dbraw/zinc/07/62/69/531076269.db2.gz GUSARWLYJFDUFT-VIFPVBQESA-N 0 0 388.247 1.191 10 0 GCAERN 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0.996 10 0 GCAERN COc1ccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)c(OC)c1 ZINC000440752258 1195580535 /nfs/dbraw/zinc/58/05/35/1195580535.db2.gz DJBNEULJQSDVRD-UHFFFAOYSA-N 0 0 388.428 0.413 10 0 GCAERN CC[C@@H](C)n1nc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)cc1C ZINC000440745568 1195580657 /nfs/dbraw/zinc/58/06/57/1195580657.db2.gz GNSIVGXDLGAIPL-GFCCVEGCSA-N 0 0 388.476 0.872 10 0 GCAERN COc1ccc(F)cc1NC(=O)C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000440754327 1195580861 /nfs/dbraw/zinc/58/08/61/1195580861.db2.gz LLXDFFNUEYPRNM-UHFFFAOYSA-N 0 0 376.392 0.544 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CC2)[nH]1 ZINC000440752385 1195580868 /nfs/dbraw/zinc/58/08/68/1195580868.db2.gz NKCASNNVDFJXSB-UHFFFAOYSA-N 0 0 398.471 0.391 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)N3C[C@@H](C)Oc4ccccc43)CC2)[nH]1 ZINC000440754960 1195581099 /nfs/dbraw/zinc/58/10/99/1195581099.db2.gz OSCHTXGNOLOSDW-CYBMUJFWSA-N 0 0 384.440 0.571 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CO)c2ccc(F)cc2)c1 ZINC000440900139 1195588401 /nfs/dbraw/zinc/58/84/01/1195588401.db2.gz AJDWFOSBIGHLHH-HNNXBMFYSA-N 0 0 395.412 0.522 10 0 GCAERN Cc1ccc(-c2cc(C(=O)N3CCN(CCS(N)(=O)=O)CC3)[nH]n2)c(C)c1 ZINC000188289249 1195603848 /nfs/dbraw/zinc/60/38/48/1195603848.db2.gz OEEVALYBGVJPQU-UHFFFAOYSA-N 0 0 391.497 0.740 10 0 GCAERN COc1cccc(-c2cc(NC(=O)C(=O)N[C@H]3CC[S@](=O)C3)n(C)n2)c1 ZINC000441225358 1195614219 /nfs/dbraw/zinc/61/42/19/1195614219.db2.gz FMJWYFRXULKQCH-QDXKXIGTSA-N 0 0 376.438 0.671 10 0 GCAERN CC(C)(C)NS(=O)(=O)CCNC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000520264917 1195614370 /nfs/dbraw/zinc/61/43/70/1195614370.db2.gz CPGVOULOVHTZIN-AWEZNQCLSA-N 0 0 382.486 0.809 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCc2cccc(OC)c2)CC1 ZINC000550322771 1195620355 /nfs/dbraw/zinc/62/03/55/1195620355.db2.gz KHJVIGWVJVYCLI-UHFFFAOYSA-N 0 0 377.441 0.407 10 0 GCAERN Cc1nccc(N2CCN(C(=O)C(=O)N[C@@H]3CCc4nc(C)ncc4C3)CC2)n1 ZINC000550333971 1195635193 /nfs/dbraw/zinc/63/51/93/1195635193.db2.gz IJKSKCONNFIDJJ-MRXNPFEDSA-N 0 0 395.467 0.206 10 0 GCAERN COc1ccc([C@H](C)N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1F ZINC000050509817 1195638820 /nfs/dbraw/zinc/63/88/20/1195638820.db2.gz JDSCFJZLCOADQV-UWVGGRQHSA-N 0 0 378.404 0.736 10 0 GCAERN O=C(CNC(=O)c1cccc(F)c1)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000112727438 1195640696 /nfs/dbraw/zinc/64/06/96/1195640696.db2.gz LABMTAVCPUSOAX-UHFFFAOYSA-N 0 0 390.459 0.616 10 0 GCAERN CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)CC1 ZINC000473934793 1195641972 /nfs/dbraw/zinc/64/19/72/1195641972.db2.gz ZRBOFXZTWJXLFX-UHFFFAOYSA-N 0 0 378.458 0.791 10 0 GCAERN COc1ccc(CNC(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)c(OC)c1 ZINC000550365942 1195644835 /nfs/dbraw/zinc/64/48/35/1195644835.db2.gz AQOPVWHJXIMPFK-IBGZPJMESA-N 0 0 375.425 0.449 10 0 GCAERN CCN(CC)C(=O)C1CCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000058573325 1195661579 /nfs/dbraw/zinc/66/15/79/1195661579.db2.gz VZINTAVJJVDWBA-OAHLLOKOSA-N 0 0 388.534 0.700 10 0 GCAERN Cc1cc(CS(=O)(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)no1 ZINC000328812865 1195665876 /nfs/dbraw/zinc/66/58/76/1195665876.db2.gz BODVMPRFJKYBKF-GJZGRUSLSA-N 0 0 398.529 0.935 10 0 GCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000328903825 1195672907 /nfs/dbraw/zinc/67/29/07/1195672907.db2.gz IKSOQXAWIXEFPO-OAHLLOKOSA-N 0 0 382.530 0.455 10 0 GCAERN COc1cccc(CCNC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)n1 ZINC000441430004 1195676256 /nfs/dbraw/zinc/67/62/56/1195676256.db2.gz AABKCZRELLNGJZ-UHFFFAOYSA-N 0 0 377.445 0.011 10 0 GCAERN C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000328933607 1195676743 /nfs/dbraw/zinc/67/67/43/1195676743.db2.gz PSVKYKBRJJXFSK-MCIONIFRSA-N 0 0 380.470 0.729 10 0 GCAERN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188816018 1195739058 /nfs/dbraw/zinc/73/90/58/1195739058.db2.gz JPHAZKNGALKROD-BFUOFWGJSA-N 0 0 390.459 0.879 10 0 GCAERN Cn1ncc2c1ncn(CC(=O)NC[C@@H]1CN(Cc3ccccc3)CCO1)c2=O ZINC000248035265 1195740788 /nfs/dbraw/zinc/74/07/88/1195740788.db2.gz MMPUDFHHIUHPNZ-MRXNPFEDSA-N 0 0 396.451 0.147 10 0 GCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000074675205 1195751028 /nfs/dbraw/zinc/75/10/28/1195751028.db2.gz BKGRFYRKECIQCT-CQSZACIVSA-N 0 0 378.521 0.820 10 0 GCAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2-n2cccn2)CCN1CCO ZINC000190036919 1195755787 /nfs/dbraw/zinc/75/57/87/1195755787.db2.gz PJVVOZFFRQZKTN-ZDUSSCGKSA-N 0 0 391.859 0.989 10 0 GCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(F)c2)CCN1CCO ZINC000190040422 1195756027 /nfs/dbraw/zinc/75/60/27/1195756027.db2.gz QXGYGOMDJDZOSD-ZDUSSCGKSA-N 0 0 375.404 0.475 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2CCc2ccccc2)CCN1CCO ZINC000190039729 1195756034 /nfs/dbraw/zinc/75/60/34/1195756034.db2.gz XHKLOTUEIRMWKT-MRXNPFEDSA-N 0 0 385.468 0.589 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)ccc1OC ZINC000487392086 1195766423 /nfs/dbraw/zinc/76/64/23/1195766423.db2.gz HRXJQECIBHIXIC-MNOVXSKESA-N 0 0 388.442 0.438 10 0 GCAERN CCC[C@@H](C)NS(=O)(=O)c1ccc(N[C@H]2CCCN(CCO)C2=O)nc1 ZINC000509615067 1195771284 /nfs/dbraw/zinc/77/12/84/1195771284.db2.gz CSZADSOCUUYVOI-HIFRSBDPSA-N 0 0 384.502 0.944 10 0 GCAERN CCC(=O)N[C@H]1CCCN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000441511208 1195773491 /nfs/dbraw/zinc/77/34/91/1195773491.db2.gz FABDQTFABKUPSH-AWEZNQCLSA-N 0 0 386.518 0.643 10 0 GCAERN COC(=O)[C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000473992884 1195773937 /nfs/dbraw/zinc/77/39/37/1195773937.db2.gz RHBRUTPAOZTIEH-ZDUSSCGKSA-N 0 0 383.470 0.760 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cnn(C(C)(C)C)c2)CC1 ZINC000441656549 1195809837 /nfs/dbraw/zinc/80/98/37/1195809837.db2.gz GOFRCJJUUFAJHO-UHFFFAOYSA-N 0 0 379.461 0.672 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2nc3c(s2)COCC3)CC1 ZINC000441662372 1195813218 /nfs/dbraw/zinc/81/32/18/1195813218.db2.gz MRPRCSNJGVCTOY-UHFFFAOYSA-N 0 0 396.469 0.250 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)Nc2cnn(CC(=O)NCCOC)c2)no1 ZINC000441674205 1195815012 /nfs/dbraw/zinc/81/50/12/1195815012.db2.gz ZQQUASRJSLFDJT-UHFFFAOYSA-N 0 0 379.421 0.648 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)CC1 ZINC000441679169 1195816064 /nfs/dbraw/zinc/81/60/64/1195816064.db2.gz MBYPTGHVYKOWFK-UHFFFAOYSA-N 0 0 388.424 0.216 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)N3CCC[C@@H](S(N)(=O)=O)C3)c2)n1 ZINC000441768470 1195842586 /nfs/dbraw/zinc/84/25/86/1195842586.db2.gz UQGJZTKVODNHOT-CQSZACIVSA-N 0 0 393.473 0.618 10 0 GCAERN COCC(=O)N1CCN(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)CC1 ZINC000441781212 1195845936 /nfs/dbraw/zinc/84/59/36/1195845936.db2.gz ZTSNBZJBSVBXHQ-UHFFFAOYSA-N 0 0 387.444 0.656 10 0 GCAERN COC(=O)C1(O)CCN(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)CC1 ZINC000441804246 1195853075 /nfs/dbraw/zinc/85/30/75/1195853075.db2.gz NUVSIZJXTGKSQJ-UHFFFAOYSA-N 0 0 388.428 0.865 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000487401829 1195855294 /nfs/dbraw/zinc/85/52/94/1195855294.db2.gz SPCJJILYKXTSFQ-GHMZBOCLSA-N 0 0 388.442 0.438 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc2cnn(CC)c2nc1C ZINC000507997372 1195885967 /nfs/dbraw/zinc/88/59/67/1195885967.db2.gz FISMRASPOZHUHP-VXGBXAGGSA-N 0 0 375.429 0.946 10 0 GCAERN COC(=O)CN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C)CC1 ZINC000508234375 1195911844 /nfs/dbraw/zinc/91/18/44/1195911844.db2.gz FYKDVBFWCZUYSS-UHFFFAOYSA-N 0 0 381.440 0.963 10 0 GCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000428186220 1195917438 /nfs/dbraw/zinc/91/74/38/1195917438.db2.gz VOQINZPXPNWKGC-OLZOCXBDSA-N 0 0 384.506 0.789 10 0 GCAERN CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3[n-]c(CC(=O)OC)cc3=O)cc2)C1 ZINC000520808661 1195923819 /nfs/dbraw/zinc/92/38/19/1195923819.db2.gz PFFWMPJFQOLAGL-AWEZNQCLSA-N 0 0 386.452 0.953 10 0 GCAERN COc1cccc(CNC(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)c1OC ZINC000550451765 1195924717 /nfs/dbraw/zinc/92/47/17/1195924717.db2.gz ZHFZDXABGQFZKZ-IBGZPJMESA-N 0 0 375.425 0.449 10 0 GCAERN CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)C(=O)NCCOCC(N)=O ZINC000441872647 1195927351 /nfs/dbraw/zinc/92/73/51/1195927351.db2.gz LOCAIYCXBGLHGM-UHFFFAOYSA-N 0 0 387.440 0.763 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n(-c2ccccc2C)n1 ZINC000442037451 1195946114 /nfs/dbraw/zinc/94/61/14/1195946114.db2.gz WHIOATXBBOCSQU-CQSZACIVSA-N 0 0 396.407 0.190 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000442058211 1195947100 /nfs/dbraw/zinc/94/71/00/1195947100.db2.gz HDEUIMZDNJTOEH-CHWSQXEVSA-N 0 0 381.454 0.418 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000442058214 1195947157 /nfs/dbraw/zinc/94/71/57/1195947157.db2.gz HDEUIMZDNJTOEH-QWHCGFSZSA-N 0 0 381.454 0.418 10 0 GCAERN COc1cc2c(cc1NC(=O)C(=O)N1CCSC[C@H]1CCO)NC(=O)CC2 ZINC000442059242 1195947158 /nfs/dbraw/zinc/94/71/58/1195947158.db2.gz QHSCLZOGNWBSII-GFCCVEGCSA-N 0 0 393.465 0.845 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000442058213 1195947244 /nfs/dbraw/zinc/94/72/44/1195947244.db2.gz 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1195951346 /nfs/dbraw/zinc/95/13/46/1195951346.db2.gz YPIPQCJMOASSRQ-AWEZNQCLSA-N 0 0 398.481 0.985 10 0 GCAERN O=C(Nc1ccc(NC(=O)C2CC2)nc1)C(=O)N1CCSC[C@@H]1CCO ZINC000442091409 1195951836 /nfs/dbraw/zinc/95/18/36/1195951836.db2.gz AKJBPHLWUMRVCW-ZDUSSCGKSA-N 0 0 378.454 0.695 10 0 GCAERN Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)c1 ZINC000442092654 1195952281 /nfs/dbraw/zinc/95/22/81/1195952281.db2.gz BUCHZKHCSCIGHV-CQSZACIVSA-N 0 0 375.454 0.747 10 0 GCAERN CCOC(=O)COc1cccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)c1 ZINC000442101803 1195953366 /nfs/dbraw/zinc/95/33/66/1195953366.db2.gz VGDGYXLNUXUAKX-AWEZNQCLSA-N 0 0 396.465 0.893 10 0 GCAERN CCOC(=O)COc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000442102056 1195953376 /nfs/dbraw/zinc/95/33/76/1195953376.db2.gz VSXUFLPGYWATMS-AWEZNQCLSA-N 0 0 396.465 0.893 10 0 GCAERN Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCSC[C@H]2CCO)ccc1F ZINC000442107910 1195954369 /nfs/dbraw/zinc/95/43/69/1195954369.db2.gz JOAKECBWAASQKL-GFCCVEGCSA-N 0 0 394.432 0.375 10 0 GCAERN 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GCAERN O=C(Nc1ccc(Oc2ccccn2)cc1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442277509 1195970307 /nfs/dbraw/zinc/97/03/07/1195970307.db2.gz BJMMSBOCBOVARC-MRXNPFEDSA-N 0 0 398.419 0.912 10 0 GCAERN COc1ccc(OC(C)C)c(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000442278554 1195970319 /nfs/dbraw/zinc/97/03/19/1195970319.db2.gz WPUWFVBLJOQJMY-CQSZACIVSA-N 0 0 393.440 0.520 10 0 GCAERN Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442276770 1195970324 /nfs/dbraw/zinc/97/03/24/1195970324.db2.gz QUCRMGXZPNAVPU-OAHLLOKOSA-N 0 0 376.457 0.407 10 0 GCAERN Cc1nc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2s1 ZINC000442281897 1195971616 /nfs/dbraw/zinc/97/16/16/1195971616.db2.gz YYCSLQFJDCSIRW-CYBMUJFWSA-N 0 0 376.438 0.643 10 0 GCAERN O=C(Nc1cc2c(cc1Cl)OCO2)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442281792 1195971628 /nfs/dbraw/zinc/97/16/28/1195971628.db2.gz YPAGRSDUDGKDLN-SNVBAGLBSA-N 0 0 383.788 0.107 10 0 GCAERN COc1cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c(OC)cc1Cl ZINC000442283575 1195971644 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GCAERN O=C(Nc1ccccc1OCC(F)F)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442295337 1195973380 /nfs/dbraw/zinc/97/33/80/1195973380.db2.gz LYKIAPAEYDAQFT-GFCCVEGCSA-N 0 0 385.367 0.369 10 0 GCAERN O=C(Nc1cccc(COCC2CC2)c1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442305216 1195975510 /nfs/dbraw/zinc/97/55/10/1195975510.db2.gz ZWEBRFZZXWPUDI-KRWDZBQOSA-N 0 0 389.452 0.651 10 0 GCAERN Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)c2)n1 ZINC000442305095 1195975549 /nfs/dbraw/zinc/97/55/49/1195975549.db2.gz ZGIYYSAPVQVTQM-KRWDZBQOSA-N 0 0 399.451 0.527 10 0 GCAERN COc1cccc(CCNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)n1 ZINC000442335087 1195977357 /nfs/dbraw/zinc/97/73/57/1195977357.db2.gz NTXPPPWSEYCUOQ-UHFFFAOYSA-N 0 0 395.412 0.930 10 0 GCAERN COc1cccc(CCNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)n1 ZINC000442341817 1195979422 /nfs/dbraw/zinc/97/94/22/1195979422.db2.gz LXSMUFAQSOVIQF-UHFFFAOYSA-N 0 0 382.376 0.613 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)NCCCn2nc3n(c2=O)CCCC3)no1 ZINC000442369997 1195981864 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COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000443021063 1196015435 /nfs/dbraw/zinc/01/54/35/1196015435.db2.gz NMGMCJWHSBWYHH-UHFFFAOYSA-N 0 0 398.416 0.810 10 0 GCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)CCC1CCCC1 ZINC000443033162 1196016676 /nfs/dbraw/zinc/01/66/76/1196016676.db2.gz DKQMWWKIDPWIRG-IFIJOSMWSA-N 0 0 380.489 0.348 10 0 GCAERN Cc1nnc(CN2CCN(S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)CC2)[nH]1 ZINC000443042412 1196017171 /nfs/dbraw/zinc/01/71/71/1196017171.db2.gz CFYRRYBABRNLDV-UHFFFAOYSA-N 0 0 392.485 0.321 10 0 GCAERN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)N(C)CCCO ZINC000443271630 1196033638 /nfs/dbraw/zinc/03/36/38/1196033638.db2.gz OOXARZNGEKRYDX-UHFFFAOYSA-N 0 0 378.429 0.178 10 0 GCAERN CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(OCCN2CCNC2=O)cc1C ZINC000443288349 1196033975 /nfs/dbraw/zinc/03/39/75/1196033975.db2.gz YCAWPAAISSUVDV-IBGZPJMESA-N 0 0 392.456 0.615 10 0 GCAERN Cc1ccc(NC(=O)C(=O)N(C)CCCO)cc1S(=O)(=O)NC(C)(C)C ZINC000443348425 1196040210 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O=C(NCc1nnc2n1CCC2)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000550554572 1196084662 /nfs/dbraw/zinc/08/46/62/1196084662.db2.gz YLNLWWINGQNRRZ-HNNXBMFYSA-N 0 0 385.424 0.147 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000550576554 1196091806 /nfs/dbraw/zinc/09/18/06/1196091806.db2.gz HWRUXESCGRPIEL-ILXRZTDVSA-N 0 0 382.505 0.070 10 0 GCAERN CN1C(=O)C[C@@H](C(=O)NCCCn2nc3n(c2=O)CCCC3)[C@H]1c1cccnc1 ZINC000114172415 1196095411 /nfs/dbraw/zinc/09/54/11/1196095411.db2.gz XWXMFRTUDXDGEM-CRAIPNDOSA-N 0 0 398.467 0.502 10 0 GCAERN CN(Cc1nc(-c2cccnc2)no1)C(=O)Cn1nnc2ccccc2c1=O ZINC000114128761 1196096088 /nfs/dbraw/zinc/09/60/88/1196096088.db2.gz QKNJVSCCYVTNLQ-UHFFFAOYSA-N 0 0 377.364 0.895 10 0 GCAERN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000114379531 1196097492 /nfs/dbraw/zinc/09/74/92/1196097492.db2.gz OEXIVYTVJSOSHW-AEFFLSMTSA-N 0 0 375.517 0.836 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000474204637 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GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)C1 ZINC000446822653 1196675410 /nfs/dbraw/zinc/67/54/10/1196675410.db2.gz GDOMDIHVIKDMAJ-CQSZACIVSA-N 0 0 385.428 0.185 10 0 GCAERN COc1ccc(F)c(NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 ZINC000447266425 1196704554 /nfs/dbraw/zinc/70/45/54/1196704554.db2.gz WTRPRBIMXHQBQJ-UHFFFAOYSA-N 0 0 375.360 0.887 10 0 GCAERN CN(C)c1nccc(N2CCN(C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)n1 ZINC000525801227 1196710713 /nfs/dbraw/zinc/71/07/13/1196710713.db2.gz KQWMMLXTHUEWKS-UHFFFAOYSA-N 0 0 395.423 0.035 10 0 GCAERN CNC(=O)c1ccc(OC)c(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000475651495 1196711762 /nfs/dbraw/zinc/71/17/62/1196711762.db2.gz PUXFNEIUKQPDDW-AWEZNQCLSA-N 0 0 390.440 0.956 10 0 GCAERN Cc1cc(C)n2nc(S(=O)(=O)CC(=O)Nc3ccc4c(c3)OCO4)nc2n1 ZINC000447372909 1196713288 /nfs/dbraw/zinc/71/32/88/1196713288.db2.gz JTIGJQCEALCPCB-UHFFFAOYSA-N 0 0 389.393 0.882 10 0 GCAERN COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2ccc3c(c2)CCCO3)C1 ZINC000447446708 1196719815 /nfs/dbraw/zinc/71/98/15/1196719815.db2.gz BGNJJGJUYBPDHU-PBHICJAKSA-N 0 0 392.452 0.823 10 0 GCAERN COC(=O)c1csc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)c1 ZINC000525899032 1196725036 /nfs/dbraw/zinc/72/50/36/1196725036.db2.gz YRCVBVMKLMEWHW-UHFFFAOYSA-N 0 0 392.441 0.244 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)n(C(C)(C)C)n1 ZINC000525900059 1196725608 /nfs/dbraw/zinc/72/56/08/1196725608.db2.gz KYUQEFSUZFDRLC-UHFFFAOYSA-N 0 0 388.476 0.656 10 0 GCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000525973219 1196729596 /nfs/dbraw/zinc/72/95/96/1196729596.db2.gz LQOYBAKDGZPLQO-CYBMUJFWSA-N 0 0 381.454 0.107 10 0 GCAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)c2ccccc21 ZINC000525961941 1196729873 /nfs/dbraw/zinc/72/98/73/1196729873.db2.gz FGNCKUOXZKFOIP-HIFRSBDPSA-N 0 0 380.470 0.947 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1cc(OC)c(O)c(OC)c1 ZINC000447568969 1196731952 /nfs/dbraw/zinc/73/19/52/1196731952.db2.gz AHEJWIYTQJEWEG-WDEREUQCSA-N 0 0 382.413 0.524 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cccc4ccncc43)CC2)[nH]1 ZINC000526574211 1196746125 /nfs/dbraw/zinc/74/61/25/1196746125.db2.gz NUAZJOXWMBSTMM-UHFFFAOYSA-N 0 0 379.424 0.944 10 0 GCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000447753857 1196747053 /nfs/dbraw/zinc/74/70/53/1196747053.db2.gz NWTMQLYLRLIQRB-GOSISDBHSA-N 0 0 386.412 0.185 10 0 GCAERN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)c12 ZINC000447756740 1196747727 /nfs/dbraw/zinc/74/77/27/1196747727.db2.gz XDLLQBDJKYCOSQ-IBGZPJMESA-N 0 0 382.424 0.968 10 0 GCAERN COCCO[C@H]1C[C@@H](CO)CN(C(=O)NCc2ccccc2OCCO)C1 ZINC000447768490 1196748268 /nfs/dbraw/zinc/74/82/68/1196748268.db2.gz MAIDCQHUALOPLH-WBVHZDCISA-N 0 0 382.457 0.613 10 0 GCAERN C[C@@H]1OCC[C@]12CN(C(=O)NCCN1CCN(C(=O)C3CCC3)CC1)CCO2 ZINC000526886911 1196748624 /nfs/dbraw/zinc/74/86/24/1196748624.db2.gz CZLSYYAZUMIBQC-JXFKEZNVSA-N 0 0 394.516 0.520 10 0 GCAERN Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cn4cccnc4n3)CC2)cs1 ZINC000526937012 1196751253 /nfs/dbraw/zinc/75/12/53/1196751253.db2.gz VECMEZFYGNPSAT-UHFFFAOYSA-N 0 0 392.466 0.641 10 0 GCAERN C[C@@H](CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCCCC1=O ZINC000527008145 1196754806 /nfs/dbraw/zinc/75/48/06/1196754806.db2.gz JYFDJYUHWJGIAV-NSHDSACASA-N 0 0 385.424 0.963 10 0 GCAERN CN(CC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)NCC(=O)N2CCCC2)CCO1 ZINC000447971097 1196762575 /nfs/dbraw/zinc/76/25/75/1196762575.db2.gz ILRLWCKCUXZRIF-OAHLLOKOSA-N 0 0 398.504 0.293 10 0 GCAERN O=C(Nc1cccc(N2CCOCC2)c1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000527126711 1196765107 /nfs/dbraw/zinc/76/51/07/1196765107.db2.gz LZUHZUORLDBTTK-SJORKVTESA-N 0 0 386.452 0.731 10 0 GCAERN O=C(Nc1cccc(N2CCOCC2)c1)C(=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC000527146326 1196767943 /nfs/dbraw/zinc/76/79/43/1196767943.db2.gz VZLHZRMYZOMKLY-GOSISDBHSA-N 0 0 394.431 0.993 10 0 GCAERN CC(C)[C@@H](NC(=O)c1cccc2ncnn21)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000527153486 1196768416 /nfs/dbraw/zinc/76/84/16/1196768416.db2.gz 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CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@@H]2C[C@@H](C)O)c1 ZINC000448421102 1196800809 /nfs/dbraw/zinc/80/08/09/1196800809.db2.gz JVUDSSWCOSGBLE-TZMCWYRMSA-N 0 0 383.470 0.685 10 0 GCAERN O=C(NCCNS(=O)(=O)c1cccnc1)NC[C@H](CO)c1ccccc1 ZINC000448475788 1196805664 /nfs/dbraw/zinc/80/56/64/1196805664.db2.gz WDAPUESAUKUTRM-OAHLLOKOSA-N 0 0 378.454 0.435 10 0 GCAERN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@](C)(O)Cn2ccccc2=O)cc1 ZINC000448543082 1196816009 /nfs/dbraw/zinc/81/60/09/1196816009.db2.gz PKQOCIZEHJOGEO-GOSISDBHSA-N 0 0 393.465 0.925 10 0 GCAERN CCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cnn(CCOC)c3)C2)C1 ZINC000448839269 1196834274 /nfs/dbraw/zinc/83/42/74/1196834274.db2.gz AADXWJCNRGYXAF-CABCVRRESA-N 0 0 391.472 0.400 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cc2cn(C)nc2C)CC1 ZINC000448890350 1196836692 /nfs/dbraw/zinc/83/66/92/1196836692.db2.gz IPOYZTIISGMJMQ-UHFFFAOYSA-N 0 0 391.497 0.528 10 0 GCAERN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CO)c3cnn(C)c3)c(Cl)cc21 ZINC000528355073 1196852389 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1196973996 /nfs/dbraw/zinc/97/39/96/1196973996.db2.gz CRRWWOGIEKTTTR-MRXNPFEDSA-N 0 0 383.466 0.980 10 0 GCAERN CCOC(=O)[C@H]1CN(CC(=O)NCc2ccc3c(c2)OCO3)CC12COC2 ZINC000451128618 1196974071 /nfs/dbraw/zinc/97/40/71/1196974071.db2.gz BXTRLFLJYVGVTR-CQSZACIVSA-N 0 0 376.409 0.543 10 0 GCAERN CCOC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC12COC2 ZINC000451129580 1196974117 /nfs/dbraw/zinc/97/41/17/1196974117.db2.gz CXWOWHBSEWHPNM-WFASDCNBSA-N 0 0 375.425 0.624 10 0 GCAERN CCOC(=O)[C@H]1CN(CC(=O)N(C)c2ccccc2C(=O)OC)CC12COC2 ZINC000451131936 1196974197 /nfs/dbraw/zinc/97/41/97/1196974197.db2.gz HVTDYHFRLSWWRU-OAHLLOKOSA-N 0 0 390.436 0.948 10 0 GCAERN CCOC(=O)[C@H]1CN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC12COC2 ZINC000451133967 1196974606 /nfs/dbraw/zinc/97/46/06/1196974606.db2.gz KEIJLCPTXDYVRR-UONOGXRCSA-N 0 0 387.436 0.872 10 0 GCAERN CCOC(=O)[C@H]1CN(CC(=O)NCc2ccc(COC)cc2)CC12COC2 ZINC000451131628 1196974723 /nfs/dbraw/zinc/97/47/23/1196974723.db2.gz HLVPQMGYNLICMA-QGZVFWFLSA-N 0 0 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ZINC000453801436 1197137708 /nfs/dbraw/zinc/13/77/08/1197137708.db2.gz MEPXDSKFGZELNN-OAHLLOKOSA-N 0 0 387.436 0.937 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)Oc3ccccc32)CC12COC2 ZINC000453804756 1197138475 /nfs/dbraw/zinc/13/84/75/1197138475.db2.gz QHJIPDWACKTKOE-ZIAGYGMSSA-N 0 0 388.420 0.839 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2OC)CC12COC2 ZINC000453805311 1197138496 /nfs/dbraw/zinc/13/84/96/1197138496.db2.gz QYLDHSDQKHZTLU-NSHDSACASA-N 0 0 398.362 0.950 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)Oc3ccccc32)CC12COC2 ZINC000453804754 1197138523 /nfs/dbraw/zinc/13/85/23/1197138523.db2.gz QHJIPDWACKTKOE-KGLIPLIRSA-N 0 0 388.420 0.839 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(C)CC3)CC12COC2 ZINC000453804766 1197138526 /nfs/dbraw/zinc/13/85/26/1197138526.db2.gz QJMNSIMKKHGDJN-HNNXBMFYSA-N 0 0 387.436 0.656 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C(N)=O)c(C)c2)CC12COC2 ZINC000453806806 1197139221 /nfs/dbraw/zinc/13/92/21/1197139221.db2.gz SZXKBMNFVMCDAV-CQSZACIVSA-N 0 0 389.408 0.071 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC(C)C)n2)CC12COC2 ZINC000453808859 1197139591 /nfs/dbraw/zinc/13/95/91/1197139591.db2.gz XQGAXYQLSGVYPD-AWEZNQCLSA-N 0 0 392.456 0.906 10 0 GCAERN CCOCCS(=O)(=O)NCC(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000532318573 1197140981 /nfs/dbraw/zinc/14/09/81/1197140981.db2.gz IXTFPWIHONYTOF-UHFFFAOYSA-N 0 0 389.518 0.193 10 0 GCAERN COc1c(F)cc(CC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1S(N)(=O)=O ZINC000532330424 1197144939 /nfs/dbraw/zinc/14/49/39/1197144939.db2.gz KICLCZBVLNEPAM-STQMWFEESA-N 0 0 399.444 0.294 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](CO)C2)C1 ZINC000363927215 1197150409 /nfs/dbraw/zinc/15/04/09/1197150409.db2.gz LJOUJYCFBHOKHL-HUUCEWRRSA-N 0 0 385.486 0.923 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)C1 ZINC000532374703 1197157196 /nfs/dbraw/zinc/15/71/96/1197157196.db2.gz RYMNTNUWNCUEJU-IUODEOHRSA-N 0 0 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ZINC000173417643 1197176745 /nfs/dbraw/zinc/17/67/45/1197176745.db2.gz AVJNJPRHVJSWHH-AWEZNQCLSA-N 0 0 389.481 0.653 10 0 GCAERN CCN(C1CCN([C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1)S(C)(=O)=O ZINC000173364292 1197176860 /nfs/dbraw/zinc/17/68/60/1197176860.db2.gz GFRNBTLSBIJIQD-OAHLLOKOSA-N 0 0 383.518 0.580 10 0 GCAERN O=C(NCc1cscn1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000174400358 1197180570 /nfs/dbraw/zinc/18/05/70/1197180570.db2.gz MIJHURQLXODCQJ-OAHLLOKOSA-N 0 0 385.449 0.897 10 0 GCAERN CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c(C)o1 ZINC000176175092 1197185557 /nfs/dbraw/zinc/18/55/57/1197185557.db2.gz MWMGPVKZDSRUTJ-LBPRGKRZSA-N 0 0 381.458 0.628 10 0 GCAERN CS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000176477090 1197186867 /nfs/dbraw/zinc/18/68/67/1197186867.db2.gz QEXAXGWOFXRWRH-GFCCVEGCSA-N 0 0 388.440 0.830 10 0 GCAERN CS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000176477107 1197186902 /nfs/dbraw/zinc/18/69/02/1197186902.db2.gz 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1197208589 /nfs/dbraw/zinc/20/85/89/1197208589.db2.gz BDVYJPPBMRMTFE-KRWDZBQOSA-N 0 0 377.537 0.668 10 0 GCAERN NC(=O)Cn1cc(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)nn1 ZINC000183473636 1197209102 /nfs/dbraw/zinc/20/91/02/1197209102.db2.gz BGSJXDOGJSJBLM-ZDUSSCGKSA-N 0 0 383.330 0.996 10 0 GCAERN COc1cccc([C@@H]2[C@H](NC(=O)Cn3ccc(=O)n(C)c3=O)CC[N@@H+]2C2CC2)c1 ZINC000183272101 1197209264 /nfs/dbraw/zinc/20/92/64/1197209264.db2.gz MHVKEVQUZSCHPL-YLJYHZDGSA-N 0 0 398.463 0.650 10 0 GCAERN CCN(C(=O)CN[C@H](C)c1cn(-c2ccccc2)nn1)[C@@H]1CCS(=O)(=O)C1 ZINC000185483058 1197214270 /nfs/dbraw/zinc/21/42/70/1197214270.db2.gz VWHIHHBVEOJBQN-GDBMZVCRSA-N 0 0 391.497 0.954 10 0 GCAERN CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)CC1 ZINC000185976200 1197226797 /nfs/dbraw/zinc/22/67/97/1197226797.db2.gz DYLFIQUVDOOWDR-UHFFFAOYSA-N 0 0 380.514 0.834 10 0 GCAERN CS(=O)(=O)NCc1ccc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)o1 ZINC000186228983 1197227144 /nfs/dbraw/zinc/22/71/44/1197227144.db2.gz 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Cn1cnc2c1c(=O)n(CC(=O)N1CC3(CCCC3)OC(C)(C)C1)c(=O)n2C ZINC000189952511 1197239741 /nfs/dbraw/zinc/23/97/41/1197239741.db2.gz IJKQAJPNEMXZKZ-UHFFFAOYSA-N 0 0 389.456 0.384 10 0 GCAERN O=C(NCCNC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)c1cccnc1 ZINC000190205083 1197240160 /nfs/dbraw/zinc/24/01/60/1197240160.db2.gz NSNGXRNIIXBROR-UHFFFAOYSA-N 0 0 383.456 0.944 10 0 GCAERN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2nnc(C3CCC3)n2C)C1 ZINC000190378492 1197241032 /nfs/dbraw/zinc/24/10/32/1197241032.db2.gz RHRRVJCLJBELHW-HNNXBMFYSA-N 0 0 385.534 0.955 10 0 GCAERN CCc1nc(C2CCN([C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)n[nH]1 ZINC000190644349 1197241277 /nfs/dbraw/zinc/24/12/77/1197241277.db2.gz CCZPSVMYZFEOHV-JSGCOSHPSA-N 0 0 383.518 0.581 10 0 GCAERN CCc1nc(C2CCN([C@H](C)C(=O)N(CC)[C@H]3CCS(=O)(=O)C3)CC2)n[nH]1 ZINC000190660368 1197241658 /nfs/dbraw/zinc/24/16/58/1197241658.db2.gz RYSWFDSZKZQPRT-HIFRSBDPSA-N 0 0 397.545 0.971 10 0 GCAERN COCCN1CCCN(Cc2nnc3n2c2ccsc2c(=O)n3C)CC1=O ZINC000190793955 1197242275 /nfs/dbraw/zinc/24/22/75/1197242275.db2.gz QFSKJVQMCCCFDV-UHFFFAOYSA-N 0 0 390.469 0.323 10 0 GCAERN CCc1nnc(C2CCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)[nH]1 ZINC000191529350 1197243729 /nfs/dbraw/zinc/24/37/29/1197243729.db2.gz IYKXJLUHXHYARO-UHFFFAOYSA-N 0 0 397.439 0.333 10 0 GCAERN C[C@H]1CCS(=O)(=O)CCN1C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000191786253 1197244106 /nfs/dbraw/zinc/24/41/06/1197244106.db2.gz VZWHVIJLWROLPV-KRWDZBQOSA-N 0 0 379.526 0.840 10 0 GCAERN C[C@H]1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CCS1(=O)=O ZINC000192303635 1197245658 /nfs/dbraw/zinc/24/56/58/1197245658.db2.gz QBWHCPPMGUKGKO-KRWDZBQOSA-N 0 0 379.526 0.840 10 0 GCAERN Cc1cc(CN2CCN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC2)no1 ZINC000123199627 1197270849 /nfs/dbraw/zinc/27/08/49/1197270849.db2.gz JSVCWBFASUKHQK-UHFFFAOYSA-N 0 0 383.408 0.331 10 0 GCAERN Cn1c2ccc(S(=O)(=O)N3CCN(c4cccnn4)CC3)cc2oc1=O ZINC000171108506 1197312467 /nfs/dbraw/zinc/31/24/67/1197312467.db2.gz XFSJIIILAYBAKG-UHFFFAOYSA-N 0 0 375.410 0.432 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@H]2C[C@H](OC)C23CCC3)c1 ZINC000454036594 1197317451 /nfs/dbraw/zinc/31/74/51/1197317451.db2.gz XCXFHBGJIMUIJG-GJZGRUSLSA-N 0 0 395.481 0.949 10 0 GCAERN CN(C(=O)Cn1nc2ccccn2c1=O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112326066 1197334242 /nfs/dbraw/zinc/33/42/42/1197334242.db2.gz VHVVCRJVQCJWEC-OAHLLOKOSA-N 0 0 383.383 0.899 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1cccnc1-n1cccn1 ZINC000031226933 1197335664 /nfs/dbraw/zinc/33/56/64/1197335664.db2.gz DZEHWEAWGJXJGA-UHFFFAOYSA-N 0 0 376.376 0.587 10 0 GCAERN Cn1cc(N2CC[C@H](N3CCN(Cc4nccn4C(F)F)CC3)C2=O)cn1 ZINC000119017289 1197339544 /nfs/dbraw/zinc/33/95/44/1197339544.db2.gz HBXCAJKKNJDTRF-AWEZNQCLSA-N 0 0 379.415 0.935 10 0 GCAERN C[C@@H](NC(=O)C[C@@H]1CCOc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000332862380 1197345178 /nfs/dbraw/zinc/34/51/78/1197345178.db2.gz IMDVTOSRDWOCPK-KGLIPLIRSA-N 0 0 380.466 0.705 10 0 GCAERN CC(=O)N[C@H]1CCCN(C(=O)CN2CCC[C@@H]2C(=O)Nc2nccs2)C1 ZINC000332870269 1197345662 /nfs/dbraw/zinc/34/56/62/1197345662.db2.gz GLYZTZXBIQZOAN-UONOGXRCSA-N 0 0 379.486 0.673 10 0 GCAERN Cn1cccc(NC(=O)C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c1=O ZINC000122775741 1197349969 /nfs/dbraw/zinc/34/99/69/1197349969.db2.gz PCKOQPJZLHYAPT-LLVKDONJSA-N 0 0 375.816 0.767 10 0 GCAERN CSCC[C@@H](NC(=O)N1CC[C@H](NC(N)=O)C1)c1nnc2ccccn21 ZINC000536517904 1197351278 /nfs/dbraw/zinc/35/12/78/1197351278.db2.gz DOHIJODHHTWZCV-NWDGAFQWSA-N 0 0 377.474 0.976 10 0 GCAERN CCn1c(N)c(C(=O)CN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c(=O)[nH]c1=O ZINC000126767308 1197358938 /nfs/dbraw/zinc/35/89/38/1197358938.db2.gz AKSJDQKXQYKGMC-NHYWBVRUSA-N 0 0 390.415 0.923 10 0 GCAERN Cc1nc(-c2cccc(NC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)c2)no1 ZINC000128782024 1197364602 /nfs/dbraw/zinc/36/46/02/1197364602.db2.gz KVIYQKNKOACNGQ-UHFFFAOYSA-N 0 0 395.379 0.431 10 0 GCAERN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NCc3ccn(C)n3)cn2)C[C@@H](C)O1 ZINC000536578515 1197364859 /nfs/dbraw/zinc/36/48/59/1197364859.db2.gz DDMCHBBTSVKVJT-CHWSQXEVSA-N 0 0 375.433 0.574 10 0 GCAERN CCc1onc(C)c1C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000129908068 1197369810 /nfs/dbraw/zinc/36/98/10/1197369810.db2.gz DGRSZQDVBFJKBJ-UHFFFAOYSA-N 0 0 381.458 0.862 10 0 GCAERN CC(C)Oc1ccc(F)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000171249958 1197370046 /nfs/dbraw/zinc/37/00/46/1197370046.db2.gz YWPXQUZFFHNMLK-UHFFFAOYSA-N 0 0 389.387 0.999 10 0 GCAERN CCN1CCN(CC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)C(=O)C1=O ZINC000130489431 1197372165 /nfs/dbraw/zinc/37/21/65/1197372165.db2.gz VVUKZXYWDTUYKD-NVXWUHKLSA-N 0 0 392.887 0.892 10 0 GCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)C1 ZINC000536603448 1197374804 /nfs/dbraw/zinc/37/48/04/1197374804.db2.gz QOCDKMUSWFMOFS-MRXNPFEDSA-N 0 0 396.469 0.757 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)NCCc2cn3c(n2)CCCC3)CC12COC2 ZINC000454250834 1197380298 /nfs/dbraw/zinc/38/02/98/1197380298.db2.gz ITFBGUYIUGTCMB-HNNXBMFYSA-N 0 0 376.457 0.983 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC12COC2 ZINC000454261547 1197383422 /nfs/dbraw/zinc/38/34/22/1197383422.db2.gz RKZLCIMBCPKVNG-OAHLLOKOSA-N 0 0 396.465 0.811 10 0 GCAERN CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000133982540 1197384667 /nfs/dbraw/zinc/38/46/67/1197384667.db2.gz MGEZAHZNLWLNIC-CYBMUJFWSA-N 0 0 382.411 0.692 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2cccc(S(N)(=O)=O)c2)CC12COC2 ZINC000454263721 1197385583 /nfs/dbraw/zinc/38/55/83/1197385583.db2.gz KZWMFUFPMWQJHV-ZDUSSCGKSA-N 0 0 383.426 0.377 10 0 GCAERN CCn1c(CN2CCNC(=O)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000054258094 1197388700 /nfs/dbraw/zinc/38/87/00/1197388700.db2.gz WIZLWJJTVHMEIB-UHFFFAOYSA-N 0 0 379.486 0.628 10 0 GCAERN CN(CCc1ccc(F)cc1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000055371548 1197390958 /nfs/dbraw/zinc/39/09/58/1197390958.db2.gz FQEGXZLQFJVUQM-HOCLYGCPSA-N 0 0 382.457 0.862 10 0 GCAERN NS(=O)(=O)c1cnn(CC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000195166873 1197400315 /nfs/dbraw/zinc/40/03/15/1197400315.db2.gz RLSPLTCYDZZBKR-UHFFFAOYSA-N 0 0 377.401 0.736 10 0 GCAERN O=C(Cn1ncc(=O)c2ccccc21)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000333266383 1197400330 /nfs/dbraw/zinc/40/03/30/1197400330.db2.gz GJGNJFXNMPFFOY-UHFFFAOYSA-N 0 0 390.465 0.469 10 0 GCAERN Cc1cc(C(=O)N2CCC[C@H](c3nnc[nH]3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000333316639 1197403683 /nfs/dbraw/zinc/40/36/83/1197403683.db2.gz KHYLHWXISGNIHV-NSHDSACASA-N 0 0 383.412 0.079 10 0 GCAERN CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000532729746 1197406554 /nfs/dbraw/zinc/40/65/54/1197406554.db2.gz KJHUDYMRPUYWNH-CQSZACIVSA-N 0 0 377.493 0.535 10 0 GCAERN Cn1ncc(C(=O)NC2CCS(=O)(=O)CC2)c1I ZINC000385923490 1197408212 /nfs/dbraw/zinc/40/82/12/1197408212.db2.gz AJMIZBFJJNYICE-UHFFFAOYSA-N 0 0 383.211 0.332 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)NCCc2cccc(C(N)=O)c2)CC12COC2 ZINC000454451660 1197414780 /nfs/dbraw/zinc/41/47/80/1197414780.db2.gz WTSVEYJZDPSQJH-HNNXBMFYSA-N 0 0 375.425 0.549 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)[C@@H](O)C(C)C)c1 ZINC000532835725 1197415543 /nfs/dbraw/zinc/41/55/43/1197415543.db2.gz DXZKBRKTKLGMSB-AWEZNQCLSA-N 0 0 385.486 0.693 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)NCC2(C(=O)N(C)C)CCCC2)CC12COC2 ZINC000454497540 1197416986 /nfs/dbraw/zinc/41/69/86/1197416986.db2.gz NNUXUFIAKIIUDC-CQSZACIVSA-N 0 0 381.473 0.856 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)NCC(=O)N(C)C2CCCCC2)CC12COC2 ZINC000454590631 1197422131 /nfs/dbraw/zinc/42/21/31/1197422131.db2.gz MLZMZLBJMSHJOE-HNNXBMFYSA-N 0 0 381.473 0.999 10 0 GCAERN CN(CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)Cc1nnnn1C ZINC000533022966 1197426546 /nfs/dbraw/zinc/42/65/46/1197426546.db2.gz SDQAXYDDAVGVEZ-UHFFFAOYSA-N 0 0 389.485 0.470 10 0 GCAERN CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)C1 ZINC000533083353 1197431346 /nfs/dbraw/zinc/43/13/46/1197431346.db2.gz IMJSBKUEFWEMLJ-SNVBAGLBSA-N 0 0 379.442 0.315 10 0 GCAERN CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000533086232 1197432225 /nfs/dbraw/zinc/43/22/25/1197432225.db2.gz YVOSKDFFLGPYDY-LBPRGKRZSA-N 0 0 398.460 0.657 10 0 GCAERN CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2c2ncnc3ccccc32)C1 ZINC000533087255 1197432354 /nfs/dbraw/zinc/43/23/54/1197432354.db2.gz JPJHCIINAKGNID-CJNGLKHVSA-N 0 0 389.481 0.749 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC12COC2 ZINC000454831181 1197434248 /nfs/dbraw/zinc/43/42/48/1197434248.db2.gz PIGKHEJYYOLYNJ-CYBMUJFWSA-N 0 0 376.413 0.827 10 0 GCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2c(C)nn(CCOC)c2C)C1 ZINC000533134028 1197434250 /nfs/dbraw/zinc/43/42/50/1197434250.db2.gz ZIGYPIFNCDEWPE-AWEZNQCLSA-N 0 0 379.461 0.602 10 0 GCAERN CO[C@@H]1CC[C@@H](NC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000454843357 1197434521 /nfs/dbraw/zinc/43/45/21/1197434521.db2.gz JKTTWSSCWBLQAB-UKRRQHHQSA-N 0 0 384.502 0.979 10 0 GCAERN C[C@H](CNC(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)S(C)(=O)=O ZINC000533161906 1197435202 /nfs/dbraw/zinc/43/52/02/1197435202.db2.gz WXSDKFJMUSOYOK-SNVBAGLBSA-N 0 0 391.453 0.837 10 0 GCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000533155042 1197435587 /nfs/dbraw/zinc/43/55/87/1197435587.db2.gz DHSUURVWYHTFMX-UHFFFAOYSA-N 0 0 387.415 0.986 10 0 GCAERN Cn1cnc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)c1 ZINC000533178533 1197435958 /nfs/dbraw/zinc/43/59/58/1197435958.db2.gz QSYUNLKOAOMTRX-UHFFFAOYSA-N 0 0 398.510 0.824 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)N2CCOc3c(C(=O)OC)cccc32)cn1C ZINC000533166454 1197436465 /nfs/dbraw/zinc/43/64/65/1197436465.db2.gz JFMOGOXONWZKIX-UHFFFAOYSA-N 0 0 393.421 0.759 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2ccc(NC(C)=O)nc2)CC12COC2 ZINC000454876000 1197436629 /nfs/dbraw/zinc/43/66/29/1197436629.db2.gz XGXVQZSITNHVFO-AWEZNQCLSA-N 0 0 376.413 0.761 10 0 GCAERN CN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000245896842 1197437462 /nfs/dbraw/zinc/43/74/62/1197437462.db2.gz PJLMVUDCULMETJ-YOEHRIQHSA-N 0 0 376.844 0.762 10 0 GCAERN O=C(CNC(=O)C(=O)Nc1cnn(Cc2ccncc2)c1)NC1CCCCC1 ZINC000533320743 1197444577 /nfs/dbraw/zinc/44/45/77/1197444577.db2.gz SCDILVMQRPLMIU-UHFFFAOYSA-N 0 0 384.440 0.830 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2cc(C(=O)N(C)C)ccn2)CC12COC2 ZINC000455132179 1197448662 /nfs/dbraw/zinc/44/86/62/1197448662.db2.gz FRBKYYOLTAIXIG-ZDUSSCGKSA-N 0 0 376.413 0.827 10 0 GCAERN CN(C)c1nccc(N2CCN(CC(=O)NCC(=O)c3cccs3)CC2)n1 ZINC000533394522 1197449637 /nfs/dbraw/zinc/44/96/37/1197449637.db2.gz ALIRFIHCZIKOQW-UHFFFAOYSA-N 0 0 388.497 0.725 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000533485621 1197454773 /nfs/dbraw/zinc/45/47/73/1197454773.db2.gz BSYZCYDJMJXTLC-IRXDYDNUSA-N 0 0 380.489 0.525 10 0 GCAERN CS(=O)(=O)N1CC[C@H](CNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC000533576535 1197459579 /nfs/dbraw/zinc/45/95/79/1197459579.db2.gz IQEYCZBOSLWLCJ-CJNGLKHVSA-N 0 0 395.481 0.815 10 0 GCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000533593334 1197460920 /nfs/dbraw/zinc/46/09/20/1197460920.db2.gz OGAARENHFHVIIP-CQSZACIVSA-N 0 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/nfs/dbraw/zinc/23/23/03/1200232303.db2.gz LHFLHTHULIQVAA-MRXNPFEDSA-N 0 0 389.474 0.855 10 0 GCAERN CCN1C(=O)[C@H]2CN(CC(=O)NCCc3cccc4cccnc43)CCN2C1=O ZINC000674501791 1200256786 /nfs/dbraw/zinc/25/67/86/1200256786.db2.gz RAKLFSORIOUOLN-QGZVFWFLSA-N 0 0 395.463 0.862 10 0 GCAERN Cc1c(C(=O)Nc2cn(C)c(=O)n(C)c2=O)nnn1-c1cccc2cnccc21 ZINC000173086720 1200310060 /nfs/dbraw/zinc/31/00/60/1200310060.db2.gz OWXVXIWWECHRGR-UHFFFAOYSA-N 0 0 391.391 0.774 10 0 GCAERN Cc1ccccc1CC1CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000674738184 1200312741 /nfs/dbraw/zinc/31/27/41/1200312741.db2.gz GKLAOQKNXCTBHM-UHFFFAOYSA-N 0 0 381.436 0.443 10 0 GCAERN NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000674962092 1200336454 /nfs/dbraw/zinc/33/64/54/1200336454.db2.gz RDOJMHGRGJSPEJ-DGCLKSJQSA-N 0 0 395.437 0.269 10 0 GCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCC(OCCCO)CC2)c1 ZINC000675007423 1200345214 /nfs/dbraw/zinc/34/52/14/1200345214.db2.gz ROMUXRXJHQWXIV-UHFFFAOYSA-N 0 0 377.441 0.998 10 0 GCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CNC(=O)c2cccs2)C1 ZINC000702828653 1200350186 /nfs/dbraw/zinc/35/01/86/1200350186.db2.gz FXQZJFXRLZQSKG-NWDGAFQWSA-N 0 0 383.470 0.822 10 0 GCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000173726877 1200366279 /nfs/dbraw/zinc/36/62/79/1200366279.db2.gz XTVZRCXBAZRCJU-HNNXBMFYSA-N 0 0 390.532 0.918 10 0 GCAERN CC1(C)Cc2cc(NC(=O)C(=O)NCCCN3CCCS3(=O)=O)ccc2O1 ZINC000675263179 1200367015 /nfs/dbraw/zinc/36/70/15/1200367015.db2.gz WPSBYOCEAKTLGU-UHFFFAOYSA-N 0 0 395.481 0.880 10 0 GCAERN O=C(Nc1cccc(N2CCOCC2)c1)N(CCO)CCN1CCOCC1 ZINC000675364607 1200378048 /nfs/dbraw/zinc/37/80/48/1200378048.db2.gz OXCCKPWROFVMLA-UHFFFAOYSA-N 0 0 378.473 0.682 10 0 GCAERN CCNC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000675468440 1200413450 /nfs/dbraw/zinc/41/34/50/1200413450.db2.gz SDSKXRWLOOSAHA-LBPRGKRZSA-N 0 0 384.458 0.736 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(COCCOC)c2)C1 ZINC000675517561 1200423251 /nfs/dbraw/zinc/42/32/51/1200423251.db2.gz MYEYVVYLXWXKTI-MRXNPFEDSA-N 0 0 392.456 0.708 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000675516655 1200423701 /nfs/dbraw/zinc/42/37/01/1200423701.db2.gz FOCVJFCTZRETFX-CYBMUJFWSA-N 0 0 376.413 0.706 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)C1 ZINC000675529645 1200430158 /nfs/dbraw/zinc/43/01/58/1200430158.db2.gz PTZAAMMKANBKBA-STQMWFEESA-N 0 0 398.489 0.476 10 0 GCAERN C[C@@H]1C[C@H](NC(=O)Cn2cc(-c3ccccc3)nn2)C(=O)N1c1cnn(C)c1 ZINC000675562763 1200431445 /nfs/dbraw/zinc/43/14/45/1200431445.db2.gz ZHPXAPZHVXHVOC-CJNGLKHVSA-N 0 0 379.424 0.989 10 0 GCAERN Cc1cc(N2CCC[C@H](NC(=O)NC[C@]3(CCO)CCOC3)C2=O)n(C)n1 ZINC000675577286 1200433781 /nfs/dbraw/zinc/43/37/81/1200433781.db2.gz YHNKDKKLCDYXMV-KSSFIOAISA-N 0 0 379.461 0.312 10 0 GCAERN Cc1cc(N2CCC[C@@H](NC(=O)NC[C@]3(CCO)CCOC3)C2=O)n(C)n1 ZINC000675577285 1200433960 /nfs/dbraw/zinc/43/39/60/1200433960.db2.gz YHNKDKKLCDYXMV-KDOFPFPSSA-N 0 0 379.461 0.312 10 0 GCAERN O=C(NC[C@@]1(CCO)CCOC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000675608246 1200437330 /nfs/dbraw/zinc/43/73/30/1200437330.db2.gz RVLSVXUPPZQHJX-VQIMIIECSA-N 0 0 396.509 0.993 10 0 GCAERN C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccncc1 ZINC000675622152 1200445988 /nfs/dbraw/zinc/44/59/88/1200445988.db2.gz LUMWLTVKJJAJQT-QWHCGFSZSA-N 0 0 390.465 0.767 10 0 GCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000675655833 1200449746 /nfs/dbraw/zinc/44/97/46/1200449746.db2.gz CGUMTGOFZPPQTK-KZNAEPCWSA-N 0 0 394.516 0.709 10 0 GCAERN CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCN1CCC1 ZINC000704352662 1200451646 /nfs/dbraw/zinc/45/16/46/1200451646.db2.gz PZPYYCYZVPBXDX-UHFFFAOYSA-N 0 0 379.482 0.934 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)N[C@H]2CCN(C3CCCCC3)C2=O)cn1C ZINC000675759731 1200457568 /nfs/dbraw/zinc/45/75/68/1200457568.db2.gz IPZTWSZUDXIHBG-AWEZNQCLSA-N 0 0 382.486 0.597 10 0 GCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000675803884 1200460535 /nfs/dbraw/zinc/46/05/35/1200460535.db2.gz MEUOENHSEBOPBW-JKSUJKDBSA-N 0 0 387.484 0.671 10 0 GCAERN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000675933773 1200470547 /nfs/dbraw/zinc/47/05/47/1200470547.db2.gz QNTFKFRDJCNDCI-GJZGRUSLSA-N 0 0 375.425 0.460 10 0 GCAERN COC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC000676092117 1200484130 /nfs/dbraw/zinc/48/41/30/1200484130.db2.gz XUKCAQFVESGZJI-UHFFFAOYSA-N 0 0 377.445 0.518 10 0 GCAERN C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CCS1 ZINC000676093973 1200485891 /nfs/dbraw/zinc/48/58/91/1200485891.db2.gz DMYDIGMGNKVCMO-LBPRGKRZSA-N 0 0 379.486 0.844 10 0 GCAERN Cn1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000804088313 1200496573 /nfs/dbraw/zinc/49/65/73/1200496573.db2.gz OGFGDDACJWFGEZ-QWHCGFSZSA-N 0 0 379.461 0.988 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc1C ZINC000676259755 1200520589 /nfs/dbraw/zinc/52/05/89/1200520589.db2.gz AZECRDZPPAMFJX-DOTOQJQBSA-N 0 0 383.514 0.759 10 0 GCAERN Cn1c(=O)oc2c1cccc2NC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000671525507 1200521376 /nfs/dbraw/zinc/52/13/76/1200521376.db2.gz NTEZEBXYEXUKOW-RISCZKNCSA-N 0 0 392.387 0.935 10 0 GCAERN Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cn1 ZINC000676266705 1200523354 /nfs/dbraw/zinc/52/33/54/1200523354.db2.gz WBMGYKSWHYXYEM-UHFFFAOYSA-N 0 0 382.490 0.032 10 0 GCAERN C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@@H]1CN(C)CCO1 ZINC000676280184 1200528318 /nfs/dbraw/zinc/52/83/18/1200528318.db2.gz HOUCDPWEYCYXFM-PBHICJAKSA-N 0 0 376.457 0.297 10 0 GCAERN C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[C@H]1CN(C)CCO1 ZINC000676280185 1200529419 /nfs/dbraw/zinc/52/94/19/1200529419.db2.gz HOUCDPWEYCYXFM-RHSMWYFYSA-N 0 0 376.457 0.297 10 0 GCAERN CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C1 ZINC000671570892 1200575130 /nfs/dbraw/zinc/57/51/30/1200575130.db2.gz SGUZCNDDKUCODW-SNVBAGLBSA-N 0 0 384.433 0.657 10 0 GCAERN CN(CCNC(=O)C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)C(=O)OC(C)(C)C ZINC000804179837 1200575924 /nfs/dbraw/zinc/57/59/24/1200575924.db2.gz ROTXFHSUKOWJNG-IBGZPJMESA-N 0 0 399.488 0.766 10 0 GCAERN CN1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C[C@H]1Cc1ccccc1 ZINC000551481436 1200681124 /nfs/dbraw/zinc/68/11/24/1200681124.db2.gz WSXJLVRKWGHLTO-MRXNPFEDSA-N 0 0 384.484 1.357 10 0 GCAERN C[C@H]1CCOCCN1C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000367715581 1200689797 /nfs/dbraw/zinc/68/97/97/1200689797.db2.gz CBDAHWKYSPUWNG-LBPRGKRZSA-N 0 0 375.429 0.628 10 0 GCAERN CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1C ZINC000472944567 1200697986 /nfs/dbraw/zinc/69/79/86/1200697986.db2.gz VDZIFMPHEHUTSE-VHSXEESVSA-N 0 0 375.351 0.675 10 0 GCAERN CC(C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)n1 ZINC000549390475 1200704359 /nfs/dbraw/zinc/70/43/59/1200704359.db2.gz AEASXOYXHWNUOQ-NVXWUHKLSA-N 0 0 392.500 1.552 10 0 GCAERN CC(C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)n1 ZINC000549390476 1200704523 /nfs/dbraw/zinc/70/45/23/1200704523.db2.gz AEASXOYXHWNUOQ-RDJZCZTQSA-N 0 0 392.500 1.552 10 0 GCAERN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C1 ZINC000582763047 1200731846 /nfs/dbraw/zinc/73/18/46/1200731846.db2.gz LUAAKOJLAXRSIA-LLVKDONJSA-N 0 0 384.458 0.595 10 0 GCAERN O=C(CCC(=O)N1CCSC[C@H]1CCO)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000511362088 1200748135 /nfs/dbraw/zinc/74/81/35/1200748135.db2.gz OKGHVFKXDQCCCS-SNVBAGLBSA-N 0 0 379.442 0.709 10 0 GCAERN O=C(Cn1ccc(NC(=O)C(=O)NCC2CCCCCC2)n1)N1CCOCC1 ZINC000453903444 1200771700 /nfs/dbraw/zinc/77/17/00/1200771700.db2.gz UBFCWSODXKUNCY-UHFFFAOYSA-N 0 0 391.472 0.767 10 0 GCAERN COC(=O)C1(O)CCN(C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000434960832 1200774037 /nfs/dbraw/zinc/77/40/37/1200774037.db2.gz YNYKMQZZZGFVKS-UHFFFAOYSA-N 0 0 379.413 0.971 10 0 GCAERN O=C(Cn1cnc(NC(=O)c2cccc3ncnn32)n1)NCc1ccccc1 ZINC000544389460 1200775040 /nfs/dbraw/zinc/77/50/40/1200775040.db2.gz KXCYHPLOSWIYRH-UHFFFAOYSA-N 0 0 376.380 0.890 10 0 GCAERN COC(=O)CCOc1ccc(NC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)cc1 ZINC000439073271 1200784844 /nfs/dbraw/zinc/78/48/44/1200784844.db2.gz BIONBKBSWIJHNG-UHFFFAOYSA-N 0 0 389.412 1.552 10 0 GCAERN CC1(c2cc(NC(=O)C(=O)NCCN3C[C@H]4CC[C@@H](C3)O4)no2)CCCC1 ZINC000453976338 1200803712 /nfs/dbraw/zinc/80/37/12/1200803712.db2.gz YDBSTGWWLWGGMH-OKILXGFUSA-N 0 0 376.457 1.424 10 0 GCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C1 ZINC000504431086 1200809022 /nfs/dbraw/zinc/80/90/22/1200809022.db2.gz JYTAGJJXGURIAA-OAHLLOKOSA-N 0 0 384.440 0.782 10 0 GCAERN CN(Cc1nnnn1C)C(=O)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000466669515 1200823118 /nfs/dbraw/zinc/82/31/18/1200823118.db2.gz PWAJBTOHTZUBBR-UHFFFAOYSA-N 0 0 382.428 0.883 10 0 GCAERN CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000584434118 1200829099 /nfs/dbraw/zinc/82/90/99/1200829099.db2.gz DMCUZPCVKZQRAO-CYBMUJFWSA-N 0 0 378.477 1.127 10 0 GCAERN CN(Cc1nnnn1C)C(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000466671801 1200829754 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CN(C(=O)[C@@](C)(O)Cn1ccccc1=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000790958448 1205472406 /nfs/dbraw/zinc/47/24/06/1205472406.db2.gz DEBXJPWWGQHEDI-UWJYYQICSA-N 0 0 383.448 0.859 10 0 GCAERN C[C@H]1c2nncn2CCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000791159768 1205474296 /nfs/dbraw/zinc/47/42/96/1205474296.db2.gz RXWYMWWZZSPXHZ-STQMWFEESA-N 0 0 392.460 0.697 10 0 GCAERN COc1c(F)cc(CC(=O)O[C@@H](C)c2nnnn2C2CC2)cc1S(N)(=O)=O ZINC000791325073 1205476108 /nfs/dbraw/zinc/47/61/08/1205476108.db2.gz DCJMRXDXUIBARK-QMMMGPOBSA-N 0 0 399.404 0.650 10 0 GCAERN C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCc1ncccn1 ZINC000791316855 1205476454 /nfs/dbraw/zinc/47/64/54/1205476454.db2.gz YEYRVKJBHYXZOM-LBPRGKRZSA-N 0 0 392.437 0.589 10 0 GCAERN COc1c(F)cc(CC(=O)OCC(=O)c2cnccn2)cc1S(N)(=O)=O ZINC000791728280 1205480369 /nfs/dbraw/zinc/48/03/69/1205480369.db2.gz FPHRYINJWYZKBZ-UHFFFAOYSA-N 0 0 383.357 0.240 10 0 GCAERN COC[C@H](NC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)C(N)=O ZINC000791821193 1205481074 /nfs/dbraw/zinc/48/10/74/1205481074.db2.gz ZJAZQRUXEOOXBH-OCCSQVGLSA-N 0 0 385.442 0.261 10 0 GCAERN CS(=O)(=O)N1CCN(CCNC(=O)c2cc(O)c3ccccc3c2)CC1 ZINC000792083263 1205483760 /nfs/dbraw/zinc/48/37/60/1205483760.db2.gz WPRAEQRZPUKHIF-UHFFFAOYSA-N 0 0 377.466 0.852 10 0 GCAERN COc1cccc(C2=NO[C@@H](C(=O)N3CCN(Cc4nnc(C)[nH]4)CC3)C2)c1 ZINC000792183332 1205484874 /nfs/dbraw/zinc/48/48/74/1205484874.db2.gz DSHXIRPYUGWSJX-QGZVFWFLSA-N 0 0 384.440 0.959 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792224065 1205485013 /nfs/dbraw/zinc/48/50/13/1205485013.db2.gz CFAWNKYDJAOTNT-OAHLLOKOSA-N 0 0 397.520 0.849 10 0 GCAERN COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3cc(=O)c(O)cn3C)C2)c1 ZINC000792215788 1205485503 /nfs/dbraw/zinc/48/55/03/1205485503.db2.gz NDPBWMRYXXMWDD-GOSISDBHSA-N 0 0 387.392 0.918 10 0 GCAERN CC(C)(C)OC(=O)N1CCN(CCC(=O)NC2(CCO)CCOCC2)CC1 ZINC000792302001 1205486251 /nfs/dbraw/zinc/48/62/51/1205486251.db2.gz BNRHDAFAMXJVLV-UHFFFAOYSA-N 0 0 385.505 0.977 10 0 GCAERN NC(=O)CN1CCC(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000792590923 1205490374 /nfs/dbraw/zinc/49/03/74/1205490374.db2.gz BLZAWEANZBCMCK-UHFFFAOYSA-N 0 0 386.452 0.519 10 0 GCAERN CC1N=NC(=S)N1CCNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000793020322 1205495179 /nfs/dbraw/zinc/49/51/79/1205495179.db2.gz ZVUZZYMWJHBYEM-UHFFFAOYSA-N 0 0 392.416 0.055 10 0 GCAERN CC(=O)OC1CCN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 ZINC000793017875 1205495681 /nfs/dbraw/zinc/49/56/81/1205495681.db2.gz ZXJAVEVWCFLERE-UHFFFAOYSA-N 0 0 377.372 0.604 10 0 GCAERN O=C(Nc1ccc2c(c1F)CCNC2=O)C(=O)N[C@H]1CCCC2(C1)OCCO2 ZINC000793047675 1205495952 /nfs/dbraw/zinc/49/59/52/1205495952.db2.gz YQISIOFCUFDZAB-NSHDSACASA-N 0 0 391.399 0.852 10 0 GCAERN CC(C)c1nnc2n1CCN(C(=O)C(=O)NCc1nnc3n1CCCC3)[C@H]2C ZINC000793588622 1205500709 /nfs/dbraw/zinc/50/07/09/1205500709.db2.gz TWAKLDMSKIQDBF-LBPRGKRZSA-N 0 0 386.460 0.549 10 0 GCAERN CCOC(=O)[C@@H](CC1CC1)NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000793603423 1205500820 /nfs/dbraw/zinc/50/08/20/1205500820.db2.gz KASBZFWVSMAWHA-FZKQIMNGSA-N 0 0 395.456 0.450 10 0 GCAERN CN(Cc1cnccn1)C(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000793648879 1205501767 /nfs/dbraw/zinc/50/17/67/1205501767.db2.gz OOZNWSRHNWHARO-CQSZACIVSA-N 0 0 377.445 0.855 10 0 GCAERN CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000793666521 1205502178 /nfs/dbraw/zinc/50/21/78/1205502178.db2.gz NLXFWFILXVAHRU-CHWSQXEVSA-N 0 0 378.477 0.726 10 0 GCAERN CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000793666522 1205502246 /nfs/dbraw/zinc/50/22/46/1205502246.db2.gz NLXFWFILXVAHRU-OLZOCXBDSA-N 0 0 378.477 0.726 10 0 GCAERN CC[S@](=O)CCNC(=O)C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000793737994 1205505589 /nfs/dbraw/zinc/50/55/89/1205505589.db2.gz QOMXCKVKVCQUDP-CRYYWNKWSA-N 0 0 395.525 0.369 10 0 GCAERN Cc1ncc(CNC(=O)C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)s1 ZINC000793844431 1205507081 /nfs/dbraw/zinc/50/70/81/1205507081.db2.gz NFKYEYVFQCCSNE-GXTWGEPZSA-N 0 0 377.470 0.773 10 0 GCAERN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)NCCCC2CC2)CC1 ZINC000793825709 1205507504 /nfs/dbraw/zinc/50/75/04/1205507504.db2.gz ICUXVYPIALQOTB-UHFFFAOYSA-N 0 0 396.488 0.488 10 0 GCAERN Cc1cc(C)n(CC(=O)NCc2nc(NC(=O)Cn3nc(C)cc3C)n[nH]2)n1 ZINC000747154121 1205508209 /nfs/dbraw/zinc/50/82/09/1205508209.db2.gz WOZPSBAXWNYKRP-UHFFFAOYSA-N 0 0 385.432 0.386 10 0 GCAERN CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)N1CCCCC1=O ZINC000793925859 1205509676 /nfs/dbraw/zinc/50/96/76/1205509676.db2.gz UDGNMOPZMSABFI-GXTWGEPZSA-N 0 0 385.461 0.960 10 0 GCAERN CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000793895473 1205509890 /nfs/dbraw/zinc/50/98/90/1205509890.db2.gz FGGVXIQCZKZERL-HIFRSBDPSA-N 0 0 393.419 0.396 10 0 GCAERN CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC000793895472 1205509950 /nfs/dbraw/zinc/50/99/50/1205509950.db2.gz FGGVXIQCZKZERL-DZGCQCFKSA-N 0 0 393.419 0.396 10 0 GCAERN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(CCO)CC(F)F)C1=O ZINC000794054762 1205511318 /nfs/dbraw/zinc/51/13/18/1205511318.db2.gz YKWNCVHKEVCOEN-SFHVURJKSA-N 0 0 399.394 0.857 10 0 GCAERN CCn1ncnc1CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000794234448 1205512446 /nfs/dbraw/zinc/51/24/46/1205512446.db2.gz GMFHAGPEEYTRAP-LBPRGKRZSA-N 0 0 380.449 0.430 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000804710042 1205521440 /nfs/dbraw/zinc/52/14/40/1205521440.db2.gz WWZBDQNBVYSIHJ-WHDAMIPWSA-N 0 0 389.518 0.635 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000804754792 1205523715 /nfs/dbraw/zinc/52/37/15/1205523715.db2.gz PENICGZMHQICDX-LBPRGKRZSA-N 0 0 382.461 0.049 10 0 GCAERN C=CC(=O)NCCC(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC ZINC000804881331 1205527026 /nfs/dbraw/zinc/52/70/26/1205527026.db2.gz PUUYNWUBONRIOR-ZDUSSCGKSA-N 0 0 383.445 0.690 10 0 GCAERN CCOC(=O)C(=O)c1cc(S(=O)(=O)Oc2cccnc2C(=O)OC)cn1C ZINC000805060860 1205531670 /nfs/dbraw/zinc/53/16/70/1205531670.db2.gz 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ZINC000805610508 1205540871 /nfs/dbraw/zinc/54/08/71/1205540871.db2.gz KHDOEDMBXCISMV-MHZLTWQESA-N 0 0 395.525 0.533 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000805615556 1205541073 /nfs/dbraw/zinc/54/10/73/1205541073.db2.gz FJAOSIFAXAYIBZ-CHAGWJKLSA-N 0 0 393.509 0.221 10 0 GCAERN CC[S@](=O)CCNC(=O)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000805613875 1205541076 /nfs/dbraw/zinc/54/10/76/1205541076.db2.gz XDSFDFUADHQPOE-DDDOEAIBSA-N 0 0 389.518 0.728 10 0 GCAERN CC[S@](=O)CCNC(=O)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000805615005 1205541082 /nfs/dbraw/zinc/54/10/82/1205541082.db2.gz OXHXUENQOTWURJ-MHZLTWQESA-N 0 0 397.472 0.385 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000805615902 1205541270 /nfs/dbraw/zinc/54/12/70/1205541270.db2.gz KWAXOHSGDHHFPZ-WHDAMIPWSA-N 0 0 389.518 0.729 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)NCc1cc(N(C)C)nc2ccccc12 ZINC000805615844 1205541298 /nfs/dbraw/zinc/54/12/98/1205541298.db2.gz 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NC(=O)N[C@H](CO)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000450198396 530567943 /nfs/dbraw/zinc/56/79/43/530567943.db2.gz IEYXHWMRPRAPTJ-CYBMUJFWSA-N 0 0 385.262 0.123 10 0 GCAERN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2cnns2)CC1 ZINC000450222647 530568565 /nfs/dbraw/zinc/56/85/65/530568565.db2.gz FKHCQJWNPBKMFB-UHFFFAOYSA-N 0 0 382.467 0.816 10 0 GCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)Cc1sccc1Br ZINC000450875850 530570620 /nfs/dbraw/zinc/57/06/20/530570620.db2.gz WGCSJXLBOSMVAX-SECBINFHSA-N 0 0 396.284 0.852 10 0 GCAERN CNS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2c(F)cccc2Cl)CC1 ZINC000451009097 530571974 /nfs/dbraw/zinc/57/19/74/530571974.db2.gz IQFWSLPHAKTHNQ-CYBMUJFWSA-N 0 0 379.841 0.775 10 0 GCAERN COc1ccc(CNS(C)(=O)=O)cc1NS(=O)(=O)N1CCC[C@H]1C ZINC000451100714 530573107 /nfs/dbraw/zinc/57/31/07/530573107.db2.gz WZIIABKJLWXOQQ-LLVKDONJSA-N 0 0 377.488 0.885 10 0 GCAERN C[C@@H](CNC(=O)c1ccc(F)cc1I)S(N)(=O)=O ZINC000398433348 530578008 /nfs/dbraw/zinc/57/80/08/530578008.db2.gz UMCVNODSDIWRQD-LURJTMIESA-N 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/nfs/dbraw/zinc/59/45/12/530594512.db2.gz XNHCROJBIOFJCY-QMMMGPOBSA-N 0 0 384.243 0.843 10 0 GCAERN CCN1CC[C@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1=O ZINC000670258490 530596394 /nfs/dbraw/zinc/59/63/94/530596394.db2.gz KZVBZFHYCPUGDK-NSHDSACASA-N 0 0 387.845 0.419 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@](O)(C(F)F)C2)c1 ZINC000452685607 530605747 /nfs/dbraw/zinc/60/57/47/530605747.db2.gz PIDFHYIDXVGZOM-OAHLLOKOSA-N 0 0 376.381 0.396 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@](O)(C(F)F)C2)cc1 ZINC000452687776 530606027 /nfs/dbraw/zinc/60/60/27/530606027.db2.gz VXNPGAXYZVCTCP-OAHLLOKOSA-N 0 0 376.381 0.396 10 0 GCAERN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1C ZINC000329458785 530612752 /nfs/dbraw/zinc/61/27/52/530612752.db2.gz RCHSRHWSKSTEGU-AWEZNQCLSA-N 0 0 388.511 0.617 10 0 GCAERN C[C@@H]1CN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CCS1(=O)=O ZINC000329467337 530613204 /nfs/dbraw/zinc/61/32/04/530613204.db2.gz WBUQXRAKXSTRIV-UKRRQHHQSA-N 0 0 392.543 0.064 10 0 GCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)CC2(CC(=O)OC)CC2)CC12COC2 ZINC000451617193 530585171 /nfs/dbraw/zinc/58/51/71/530585171.db2.gz AMYVFHBZOXVFEJ-LBPRGKRZSA-N 0 0 375.443 0.171 10 0 GCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2csnc2C(=O)OC)CC12COC2 ZINC000451618420 530585386 /nfs/dbraw/zinc/58/53/86/530585386.db2.gz FDCGJVHYTZBMCY-SECBINFHSA-N 0 0 390.439 0.130 10 0 GCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000573936161 530585414 /nfs/dbraw/zinc/58/54/14/530585414.db2.gz QURKNLXIROIUFR-YRGRVCCFSA-N 0 0 385.511 0.932 10 0 GCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)CC2(C(=O)OC)CCC2)CC12COC2 ZINC000451618893 530585496 /nfs/dbraw/zinc/58/54/96/530585496.db2.gz GRVMBDMYXHVTPU-GFCCVEGCSA-N 0 0 375.443 0.171 10 0 GCAERN O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N1C[C@H](O)[C@H](CO)C1 ZINC000458024365 530628190 /nfs/dbraw/zinc/62/81/90/530628190.db2.gz HUBGALPPCZXOKO-ZANVPECISA-N 0 0 397.225 0.247 10 0 GCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000330198278 530629135 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NC(=O)[C@H]1CCCN1C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000456263696 530618549 /nfs/dbraw/zinc/61/85/49/530618549.db2.gz RUFOPQNJRZEBKK-GFCCVEGCSA-N 0 0 394.225 0.912 10 0 GCAERN C[C@H]1CN(S(=O)(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)CCS1(=O)=O ZINC000329710464 530619428 /nfs/dbraw/zinc/61/94/28/530619428.db2.gz NSJXBLMZMWBNIO-DZGCQCFKSA-N 0 0 392.543 0.616 10 0 GCAERN COCC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000461894131 530645966 /nfs/dbraw/zinc/64/59/66/530645966.db2.gz ILFZNSNYKPVIGY-ZDUSSCGKSA-N 0 0 392.499 0.147 10 0 GCAERN COCC[C@H](CO)NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC ZINC000461894217 530646078 /nfs/dbraw/zinc/64/60/78/530646078.db2.gz LLSCTUKWYGFFEL-SNVBAGLBSA-N 0 0 377.415 0.166 10 0 GCAERN CCOCc1nc([C@@H](C)NC(=O)N2CCC[C@@H]2CS(=O)(=O)NC)no1 ZINC000462302975 530649615 /nfs/dbraw/zinc/64/96/15/530649615.db2.gz OOFHQFSQTITBNL-GHMZBOCLSA-N 0 0 375.451 0.390 10 0 GCAERN CCOCc1nc([C@H](C)NC(=O)N2CCC[C@@H]2CS(=O)(=O)NC)no1 ZINC000462302978 530649712 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O=C(CN1CCOCC1=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000468392854 530679731 /nfs/dbraw/zinc/67/97/31/530679731.db2.gz PLTPMYCLFRAISV-ZDUSSCGKSA-N 0 0 385.258 0.575 10 0 GCAERN Cc1ccc(Br)cc1NC(=O)CNC(=O)CN1CCOCC1=O ZINC000468306377 530679745 /nfs/dbraw/zinc/67/97/45/530679745.db2.gz IDBBJLZLOLDMAD-UHFFFAOYSA-N 0 0 384.230 0.671 10 0 GCAERN Cn1cc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)cc(Br)c1=O ZINC000468343776 530679768 /nfs/dbraw/zinc/67/97/68/530679768.db2.gz JMHKMMUJPJKTLT-HNNXBMFYSA-N 0 0 382.214 0.699 10 0 GCAERN CNS(=O)(=O)c1cc(NC(=O)CN2CCSC[C@@H]2CCO)ccc1C ZINC000470213197 530692766 /nfs/dbraw/zinc/69/27/66/530692766.db2.gz FIYKELFRIGVJSX-AWEZNQCLSA-N 0 0 387.527 0.641 10 0 GCAERN Cc1nc(N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)sc1S(N)(=O)=O ZINC000367220481 530694824 /nfs/dbraw/zinc/69/48/24/530694824.db2.gz VGDSGSFTYSZUAB-LLVKDONJSA-N 0 0 384.487 0.533 10 0 GCAERN COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000471876005 530701668 /nfs/dbraw/zinc/70/16/68/530701668.db2.gz 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ZINC000363125630 530710404 /nfs/dbraw/zinc/71/04/04/530710404.db2.gz SETZVQWYTOAMNP-CYBMUJFWSA-N 0 0 388.511 0.949 10 0 GCAERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000473386838 530711772 /nfs/dbraw/zinc/71/17/72/530711772.db2.gz HFHPWLJUIBRYDP-IONNQARKSA-N 0 0 382.364 0.191 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)NC(C)(C)CCS(C)(=O)=O)c1 ZINC000476804112 530736524 /nfs/dbraw/zinc/73/65/24/530736524.db2.gz KVLRWIBBGRNNAQ-UHFFFAOYSA-N 0 0 377.488 0.930 10 0 GCAERN COC(=O)CCN(C)S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000370096921 530738036 /nfs/dbraw/zinc/73/80/36/530738036.db2.gz IPNNLCRCGDIAMW-UHFFFAOYSA-N 0 0 375.491 0.451 10 0 GCAERN O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000119165794 530740216 /nfs/dbraw/zinc/74/02/16/530740216.db2.gz IZWMNGVOBDDMTG-MFKMUULPSA-N 0 0 395.257 0.990 10 0 GCAERN CN(C)C(=O)NCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000370350942 530741405 /nfs/dbraw/zinc/74/14/05/530741405.db2.gz YQCHDUJNGSUPGU-GFCCVEGCSA-N 0 0 388.515 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/nfs/dbraw/zinc/73/32/93/530733293.db2.gz RLEUNAFWHFGJNT-QMMMGPOBSA-N 0 0 385.218 0.665 10 0 GCAERN CC(C)(O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000478782723 530753292 /nfs/dbraw/zinc/75/32/92/530753292.db2.gz OEROUDRHXGALJC-UHFFFAOYSA-N 0 0 376.500 0.910 10 0 GCAERN CC(=O)[C@@](C)(O)CN1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000581038659 530753289 /nfs/dbraw/zinc/75/32/89/530753289.db2.gz SINLAVBJHSUQHI-HNNXBMFYSA-N 0 0 384.483 0.338 10 0 GCAERN COC[C@@](C)(NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(F)(F)F ZINC000479159291 530755561 /nfs/dbraw/zinc/75/55/61/530755561.db2.gz NRWDBZQIZDQTDZ-SNVBAGLBSA-N 0 0 376.378 0.580 10 0 GCAERN CC(=O)N1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)[C@@H](C)C1 ZINC000477638465 530746029 /nfs/dbraw/zinc/74/60/29/530746029.db2.gz PWDUOCQSHBSAEA-JTQLQIEISA-N 0 0 388.877 0.479 10 0 GCAERN CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000477988295 530747622 /nfs/dbraw/zinc/74/76/22/530747622.db2.gz KGNIBKDCFHXIRC-SECBINFHSA-N 0 0 379.891 0.759 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)Cc1ccc(F)cc1F ZINC000579906746 530748565 /nfs/dbraw/zinc/74/85/65/530748565.db2.gz USNPSDZRYDQPJG-NXEZZACHSA-N 0 0 378.397 0.841 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)Cc1ccc(F)cc1F ZINC000579906747 530748745 /nfs/dbraw/zinc/74/87/45/530748745.db2.gz USNPSDZRYDQPJG-UWVGGRQHSA-N 0 0 378.397 0.841 10 0 GCAERN O[C@H](Cn1nnc(Cc2cccc(Br)c2)n1)CN1CCOCC1 ZINC000193430422 530749239 /nfs/dbraw/zinc/74/92/39/530749239.db2.gz JCZCKFCXDKBGOU-AWEZNQCLSA-N 0 0 382.262 0.720 10 0 GCAERN COc1c(F)cc(CC(=O)N[C@@H](C(C)C)C(C)(C)O)cc1S(N)(=O)=O ZINC000481325681 530777878 /nfs/dbraw/zinc/77/78/78/530777878.db2.gz WPCMWIFLDCJBLE-HNNXBMFYSA-N 0 0 376.450 0.936 10 0 GCAERN Cn1ncc(I)c1C(=O)N1CCSC[C@H]1CCO ZINC000481443772 530778043 /nfs/dbraw/zinc/77/80/43/530778043.db2.gz IPNYIJUOEWXYIP-MRVPVSSYSA-N 0 0 381.239 0.965 10 0 GCAERN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN3CCOC[C@@H]3C2)s1 ZINC000373394389 530780429 /nfs/dbraw/zinc/78/04/29/530780429.db2.gz TXKNXDRIZUMXAC-ZDUSSCGKSA-N 0 0 388.515 0.061 10 0 GCAERN COC(=O)C1CCN(S(=O)(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000373677757 530782746 /nfs/dbraw/zinc/78/27/46/530782746.db2.gz AGXWDMVJXNKRFU-INIZCTEOSA-N 0 0 376.475 0.386 10 0 GCAERN CCN(CCCNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1)S(C)(=O)=O ZINC000482269420 530784129 /nfs/dbraw/zinc/78/41/29/530784129.db2.gz RPGBGLNUUODKFZ-LBPRGKRZSA-N 0 0 375.413 0.757 10 0 GCAERN COC(=O)NCCc1ccc(S(=O)(=O)N2CCCN(CCO)CC2)s1 ZINC000373764451 530784982 /nfs/dbraw/zinc/78/49/82/530784982.db2.gz BZGILEIILGZXGD-UHFFFAOYSA-N 0 0 391.515 0.335 10 0 GCAERN CS(=O)(=O)NCC1CCN(C(=O)NCCNC(=O)c2cccs2)CC1 ZINC000480572058 530766872 /nfs/dbraw/zinc/76/68/72/530766872.db2.gz RFFGWJVIKKUIJM-UHFFFAOYSA-N 0 0 388.515 0.449 10 0 GCAERN CCOC(=O)CCCNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000480540456 530766929 /nfs/dbraw/zinc/76/69/29/530766929.db2.gz JUCQFBIRRJMEBS-ZDUSSCGKSA-N 0 0 375.491 0.833 10 0 GCAERN CCCS(=O)(=O)CC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000374783572 530796900 /nfs/dbraw/zinc/79/69/00/530796900.db2.gz RANLNDRBWBFLEZ-UHFFFAOYSA-N 0 0 386.495 0.415 10 0 GCAERN Cc1nc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)sc1Br ZINC000375215452 530800143 /nfs/dbraw/zinc/80/01/43/530800143.db2.gz WBIXMNUFGGKNNZ-VIFPVBQESA-N 0 0 382.305 0.919 10 0 GCAERN COCCOc1ccc(Br)cc1S(=O)(=O)N1CCNC(=O)C1 ZINC000485899305 530801343 /nfs/dbraw/zinc/80/13/43/530801343.db2.gz NUEASZDWJOPZMW-UHFFFAOYSA-N 0 0 393.259 0.595 10 0 GCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(I)cn1 ZINC000193484112 530801341 /nfs/dbraw/zinc/80/13/41/530801341.db2.gz LHYXMWREZRANNX-JGVFFNPUSA-N 0 0 377.182 0.758 10 0 GCAERN CN(C)S(=O)(=O)c1cccc(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000268172832 530802450 /nfs/dbraw/zinc/80/24/50/530802450.db2.gz JJXQGOWHSJZPLM-UHFFFAOYSA-N 0 0 389.499 0.978 10 0 GCAERN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000374276471 530790923 /nfs/dbraw/zinc/79/09/23/530790923.db2.gz BIGBWWAIBDXXNT-CQSZACIVSA-N 0 0 378.520 0.558 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)cc1F ZINC000618357872 530806908 /nfs/dbraw/zinc/80/69/08/530806908.db2.gz ZZNIBPMPDONGOL-UHFFFAOYSA-N 0 0 394.446 0.316 10 0 GCAERN CCN1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1=O ZINC000670007278 530792944 /nfs/dbraw/zinc/79/29/44/530792944.db2.gz RIZNCZJFNALTJR-CYBMUJFWSA-N 0 0 388.877 0.538 10 0 GCAERN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCOc2cccc(F)c2C1 ZINC000374516985 530793557 /nfs/dbraw/zinc/79/35/57/530793557.db2.gz ATDXVINQCDFFME-UHFFFAOYSA-N 0 0 380.463 0.631 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)s1 ZINC000377952946 530832179 /nfs/dbraw/zinc/83/21/79/530832179.db2.gz PCXSXVGJLHWHIX-NSHDSACASA-N 0 0 388.467 0.593 10 0 GCAERN CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000377995199 530832473 /nfs/dbraw/zinc/83/24/73/530832473.db2.gz ONPOETHPKZDOOG-MRXNPFEDSA-N 0 0 375.491 0.785 10 0 GCAERN CC1(C)[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@@H]1O ZINC000491833829 530835124 /nfs/dbraw/zinc/83/51/24/530835124.db2.gz XASQQFSKAGBDBE-CABCVRRESA-N 0 0 388.511 0.909 10 0 GCAERN O=C(Cc1cccc(Cl)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000067905340 530835436 /nfs/dbraw/zinc/83/54/36/530835436.db2.gz MJARNVVBALAVLP-UHFFFAOYSA-N 0 0 387.889 0.604 10 0 GCAERN C[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CCN1S(C)(=O)=O ZINC000618679023 530808242 /nfs/dbraw/zinc/80/82/42/530808242.db2.gz UEJWADDSHMSENN-TZMCWYRMSA-N 0 0 389.543 0.570 10 0 GCAERN CC(C)[C@@H](C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000618679321 530808266 /nfs/dbraw/zinc/80/82/66/530808266.db2.gz IJZZEOGISWSXBU-FPCVCCKLSA-N 0 0 375.535 0.613 10 0 GCAERN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618679199 530808384 /nfs/dbraw/zinc/80/83/84/530808384.db2.gz CCNUOXNMKGSPKY-KGLIPLIRSA-N 0 0 395.547 0.073 10 0 GCAERN CC1(C)CN(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CCS1(=O)=O ZINC000268427235 530809321 /nfs/dbraw/zinc/80/93/21/530809321.db2.gz XPSWWGCRPFSIDS-UHFFFAOYSA-N 0 0 378.447 0.846 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000487348842 530812383 /nfs/dbraw/zinc/81/23/83/530812383.db2.gz ZUKXDXGGFRINKO-YUMQZZPRSA-N 0 0 382.360 0.839 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000487348839 530812660 /nfs/dbraw/zinc/81/26/60/530812660.db2.gz ZUKXDXGGFRINKO-JGVFFNPUSA-N 0 0 382.360 0.839 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000487373899 530812856 /nfs/dbraw/zinc/81/28/56/530812856.db2.gz ZHKQIJDZNJVVPD-IUCAKERBSA-N 0 0 392.455 0.269 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000487373901 530813194 /nfs/dbraw/zinc/81/31/94/530813194.db2.gz ZHKQIJDZNJVVPD-RKDXNWHRSA-N 0 0 392.455 0.269 10 0 GCAERN C[C@H](C[S@](C)=O)NC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000376352970 530813773 /nfs/dbraw/zinc/81/37/73/530813773.db2.gz PJONIARTQBLFCQ-YYUOZPCZSA-N 0 0 385.511 0.540 10 0 GCAERN O=C(CNCC(F)(F)F)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000376501864 530816336 /nfs/dbraw/zinc/81/63/36/530816336.db2.gz SERILVCFCYITTM-UHFFFAOYSA-N 0 0 377.388 0.742 10 0 GCAERN C[C@H](COCC(F)(F)F)NC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000488444862 530817535 /nfs/dbraw/zinc/81/75/35/530817535.db2.gz XDOAYMAUVWKHCZ-SNVBAGLBSA-N 0 0 375.413 0.925 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccncc1Br ZINC000488581389 530817572 /nfs/dbraw/zinc/81/75/72/530817572.db2.gz WJJGQWPDJJRBEU-DTWKUNHWSA-N 0 0 387.234 0.844 10 0 GCAERN Cc1csc([C@@H](C)NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)n1 ZINC000488645853 530818332 /nfs/dbraw/zinc/81/83/32/530818332.db2.gz ODYHIUCAVXTJNL-MRVPVSSYSA-N 0 0 381.439 0.839 10 0 GCAERN O=C(c1sccc1S(=O)(=O)N1CCSCC1)N1CCO[C@H](CO)C1 ZINC000269091194 530820551 /nfs/dbraw/zinc/82/05/51/530820551.db2.gz SQXLOYVFUDISEA-NSHDSACASA-N 0 0 392.524 0.319 10 0 GCAERN O=C1NC(=O)[C@]2(CCCN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)C2)N1 ZINC000377111900 530822212 /nfs/dbraw/zinc/82/22/12/530822212.db2.gz CXSJRZYLOFYJSE-CYBMUJFWSA-N 0 0 381.307 0.606 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)N2CC[C@](F)(CO)C2)c1OC ZINC000619797286 530823414 /nfs/dbraw/zinc/82/34/14/530823414.db2.gz JAUUUOMWWUWMOT-OAHLLOKOSA-N 0 0 377.390 0.585 10 0 GCAERN CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)C1=O ZINC000619843100 530824011 /nfs/dbraw/zinc/82/40/11/530824011.db2.gz DIPJVNLKNGTAOE-CANCMXDXSA-N 0 0 385.873 0.894 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)(C)C(=O)OC)CC2)s1 ZINC000492310878 530836778 /nfs/dbraw/zinc/83/67/78/530836778.db2.gz HRWJVUBXFMGFLN-UHFFFAOYSA-N 0 0 390.483 0.793 10 0 GCAERN O=C(CNC(=O)c1ccc(Br)o1)N1CC[C@@H](N2CCOCC2)C1 ZINC000174037947 530847745 /nfs/dbraw/zinc/84/77/45/530847745.db2.gz INLKVXSZNVWFRK-LLVKDONJSA-N 0 0 386.246 0.705 10 0 GCAERN CC(C)[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)C(=O)N1CCOCC1 ZINC000175733528 530849271 /nfs/dbraw/zinc/84/92/71/530849271.db2.gz HBYZQZBTVWTDHW-GFCCVEGCSA-N 0 0 386.246 0.751 10 0 GCAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000270654756 530850025 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/nfs/dbraw/zinc/37/32/02/1192373202.db2.gz SZRDRJJRKYDYDH-UHFFFAOYSA-N 0 0 393.469 0.343 10 0 GCAERN CC(C)(C)c1nnsc1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000408294823 1192383326 /nfs/dbraw/zinc/38/33/26/1192383326.db2.gz POOCWXCCGOZIJO-UHFFFAOYSA-N 0 0 379.486 0.742 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@H](C)c2ccc(OC)cc2)CC1 ZINC000585704942 1192390571 /nfs/dbraw/zinc/39/05/71/1192390571.db2.gz NWUQWCVRBGOPAV-CQSZACIVSA-N 0 0 391.468 0.968 10 0 GCAERN O=C(CCCNC(=O)c1ccc(F)cc1)NCCCN1CCCS1(=O)=O ZINC000585734360 1192399794 /nfs/dbraw/zinc/39/97/94/1192399794.db2.gz YVAYZDBZLKQWER-UHFFFAOYSA-N 0 0 385.461 0.878 10 0 GCAERN Cc1cc(C(=O)NCCCN2CCCS2(=O)=O)ccc1N1CCNC1=O ZINC000585733683 1192400042 /nfs/dbraw/zinc/40/00/42/1192400042.db2.gz DWDUMJSRBZAPJR-UHFFFAOYSA-N 0 0 380.470 0.680 10 0 GCAERN Cc1cccc([C@H](CC(=O)NCCCN2CCCS2(=O)=O)NC(N)=O)c1 ZINC000585735131 1192400503 /nfs/dbraw/zinc/40/05/03/1192400503.db2.gz QGMWXPXMECAYOZ-HNNXBMFYSA-N 0 0 382.486 0.636 10 0 GCAERN O=C(CCCn1c(=O)oc2ccccc21)NCCCN1CCCS1(=O)=O ZINC000585735893 1192400553 /nfs/dbraw/zinc/40/05/53/1192400553.db2.gz AEFBWRMWSFCINZ-UHFFFAOYSA-N 0 0 381.454 0.917 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000585738110 1192401887 /nfs/dbraw/zinc/40/18/87/1192401887.db2.gz NFYDQOLJSZOAIA-UHFFFAOYSA-N 0 0 379.438 0.495 10 0 GCAERN CCCn1nccc1NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000052461515 1192412671 /nfs/dbraw/zinc/41/26/71/1192412671.db2.gz UUEIUXPGSYASIF-UHFFFAOYSA-N 0 0 376.417 0.118 10 0 GCAERN CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000843691393 1192418353 /nfs/dbraw/zinc/41/83/53/1192418353.db2.gz NGLOYKQYXDVEMA-MUMAZLPKSA-N 0 0 378.450 0.580 10 0 GCAERN C[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)C[C@@H](CO)O1 ZINC000549626394 1192428861 /nfs/dbraw/zinc/42/88/61/1192428861.db2.gz LXTVROGLLDALKA-VYDXJSESSA-N 0 0 377.441 0.458 10 0 GCAERN O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279039601 1192443817 /nfs/dbraw/zinc/44/38/17/1192443817.db2.gz XWCRHVDXNBDAJO-RNODOKPDSA-N 0 0 385.420 0.549 10 0 GCAERN O=C(NC[C@@H](O)COCC1CC1)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000549627503 1192456363 /nfs/dbraw/zinc/45/63/63/1192456363.db2.gz TUIUQJZOAHXUCO-DLBZAZTESA-N 0 0 391.468 0.753 10 0 GCAERN CS(=O)(=O)N1CCC(NC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000408343912 1192471098 /nfs/dbraw/zinc/47/10/98/1192471098.db2.gz UAHLKYKXHZSXTA-MRXNPFEDSA-N 0 0 383.470 0.899 10 0 GCAERN CCCNC(=O)CCNC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000512148867 1192473991 /nfs/dbraw/zinc/47/39/91/1192473991.db2.gz NXLMTWIWTGGYPL-OAHLLOKOSA-N 0 0 376.457 0.882 10 0 GCAERN CNC(=O)Cn1cc(NC(=O)C(=O)NC2(CCOCc3ccccc3)CC2)cn1 ZINC000434538595 1192513241 /nfs/dbraw/zinc/51/32/41/1192513241.db2.gz AQYPCUPVQQBRAC-UHFFFAOYSA-N 0 0 399.451 0.823 10 0 GCAERN CC(=O)N(Cc1ccc(NC(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1)C1CC1 ZINC000279415860 1192537920 /nfs/dbraw/zinc/53/79/20/1192537920.db2.gz IXAQZQIXCKQEGU-NRFANRHFSA-N 0 0 398.463 0.875 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000279473569 1192544405 /nfs/dbraw/zinc/54/44/05/1192544405.db2.gz GTBHYHDTJBZKQY-GOSISDBHSA-N 0 0 393.465 0.296 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000279473572 1192544556 /nfs/dbraw/zinc/54/45/56/1192544556.db2.gz GTBHYHDTJBZKQY-SFHVURJKSA-N 0 0 393.465 0.296 10 0 GCAERN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000408377675 1192575802 /nfs/dbraw/zinc/57/58/02/1192575802.db2.gz YPJKQJLMXQUQEN-JKSUJKDBSA-N 0 0 382.482 0.905 10 0 GCAERN CCOc1ccccc1C(=O)NCC(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000512343988 1192618123 /nfs/dbraw/zinc/61/81/23/1192618123.db2.gz SLNSMWPUHKINLX-UHFFFAOYSA-N 0 0 387.440 0.851 10 0 GCAERN CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)NC[C@@](C)(O)CO)CC1 ZINC000432718088 1192637985 /nfs/dbraw/zinc/63/79/85/1192637985.db2.gz JEOKLTMRMCEBMX-GOSISDBHSA-N 0 0 382.436 0.749 10 0 GCAERN O=C(COc1ccccc1)N1CC[C@H](NC(=O)NCCNc2cnccn2)C1 ZINC000512408594 1192668052 /nfs/dbraw/zinc/66/80/52/1192668052.db2.gz AASOXFUCEZQISN-HNNXBMFYSA-N 0 0 384.440 0.868 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc2c(cc1N)OCO2 ZINC000262596506 1192762684 /nfs/dbraw/zinc/76/26/84/1192762684.db2.gz KYYXIQMFKAWIOI-QMMMGPOBSA-N 0 0 382.398 0.908 10 0 GCAERN NC(=O)CC[C@H](NC(=O)CCC1CCCC1)C(=O)N[C@H]1CCCCNC1=O ZINC000509724057 1192781821 /nfs/dbraw/zinc/78/18/21/1192781821.db2.gz IQLFLGUEKDWCDN-GJZGRUSLSA-N 0 0 380.489 0.492 10 0 GCAERN NC(=O)CC[C@H](NC(=O)CCC1CCCC1)C(=O)N[C@@H]1CCCCNC1=O ZINC000509724056 1192782156 /nfs/dbraw/zinc/78/21/56/1192782156.db2.gz IQLFLGUEKDWCDN-CABCVRRESA-N 0 0 380.489 0.492 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000410657504 1192789895 /nfs/dbraw/zinc/78/98/95/1192789895.db2.gz VUVRCBFGUFZBKZ-HIFRSBDPSA-N 0 0 381.473 0.646 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)[C@@H](C)C1 ZINC000410651705 1192791116 /nfs/dbraw/zinc/79/11/16/1192791116.db2.gz IMZQXLANHYTZRI-YGTYGHESSA-N 0 0 381.473 0.251 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)[C@@H](C)C1 ZINC000410652723 1192791643 /nfs/dbraw/zinc/79/16/43/1192791643.db2.gz LVZXRSKZGRSWJF-JNAXZKDPSA-N 0 0 391.443 0.392 10 0 GCAERN Cc1nc(CN(C)C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)no1 ZINC000512498656 1192802670 /nfs/dbraw/zinc/80/26/70/1192802670.db2.gz JWAUZWXZQSPIMY-UHFFFAOYSA-N 0 0 395.441 0.017 10 0 GCAERN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)C[C@H](C)O1 ZINC000408410088 1192848798 /nfs/dbraw/zinc/84/87/98/1192848798.db2.gz JIRFOBULWBVVKV-OKILXGFUSA-N 0 0 383.470 0.504 10 0 GCAERN Cc1ccccc1Cc1nnc(N2CCO[C@@H](C(N)=O)C2)n1C[C@@H]1CCOC1 ZINC000549705655 1192853642 /nfs/dbraw/zinc/85/36/42/1192853642.db2.gz XPVUNSCKIOPNPF-DOTOQJQBSA-N 0 0 385.468 0.904 10 0 GCAERN NC(=O)c1ncn(C2CCN(C(=O)Cn3cc(-c4ccccc4)nn3)CC2)c1N ZINC000549710827 1192856343 /nfs/dbraw/zinc/85/63/43/1192856343.db2.gz JFGZOUPHTZEYBC-UHFFFAOYSA-N 0 0 394.439 0.686 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)C1 ZINC000473314572 1192862433 /nfs/dbraw/zinc/86/24/33/1192862433.db2.gz JYAXICNXCGLRQJ-OAHLLOKOSA-N 0 0 387.440 0.454 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(NC(=O)C3CC3)c2)C1 ZINC000473330562 1192866584 /nfs/dbraw/zinc/86/65/84/1192866584.db2.gz KOLLHIRATANOAK-HNNXBMFYSA-N 0 0 387.440 0.894 10 0 GCAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCc3nn(C)cc32)cc1S(N)(=O)=O ZINC000549762802 1192872499 /nfs/dbraw/zinc/87/24/99/1192872499.db2.gz KWTNCTBHDJUMCG-ZDUSSCGKSA-N 0 0 391.453 0.508 10 0 GCAERN O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000549772561 1192876726 /nfs/dbraw/zinc/87/67/26/1192876726.db2.gz RVAAGYQQBFSWEA-OAHLLOKOSA-N 0 0 392.437 1.208 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(NC(C)=O)c2C)C1 ZINC000473366358 1192877545 /nfs/dbraw/zinc/87/75/45/1192877545.db2.gz BHTVOOAGUNNLPO-ZDUSSCGKSA-N 0 0 375.429 0.812 10 0 GCAERN Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)NCc2cccnc2)CC1 ZINC000549776135 1192877922 /nfs/dbraw/zinc/87/79/22/1192877922.db2.gz PEPDFRWGFUOJRU-UHFFFAOYSA-N 0 0 380.448 0.920 10 0 GCAERN C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)NCc1nnc2ccccn21 ZINC000549790686 1192883743 /nfs/dbraw/zinc/88/37/43/1192883743.db2.gz BAIZXXDIDUAYPM-CQSZACIVSA-N 0 0 378.436 0.913 10 0 GCAERN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000549790876 1192883921 /nfs/dbraw/zinc/88/39/21/1192883921.db2.gz ARPXPCZOUHZCOA-HOCLYGCPSA-N 0 0 389.452 0.716 10 0 GCAERN COc1cccc(O[C@@H](C)CNC(=O)C(=O)NCc2nnc3ccccn32)c1 ZINC000549792030 1192884762 /nfs/dbraw/zinc/88/47/62/1192884762.db2.gz UQJKCHCGSMLESF-ZDUSSCGKSA-N 0 0 383.408 0.938 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)N(CCO)[C@@H]1CCc2ccccc21 ZINC000549800326 1192885297 /nfs/dbraw/zinc/88/52/97/1192885297.db2.gz JHKKRTHAWWRULV-MRXNPFEDSA-N 0 0 379.420 0.854 10 0 GCAERN O=C(NCCCN1CCc2ccccc21)C(=O)NCc1nnc2ccccn21 ZINC000549799130 1192885813 /nfs/dbraw/zinc/88/58/13/1192885813.db2.gz FGJUOMGMUHGYBB-UHFFFAOYSA-N 0 0 378.436 0.915 10 0 GCAERN COc1ccc([C@H](NC(=O)C(=O)N2CCC(CO)CC2)c2nccn2C)cc1 ZINC000549800035 1192886022 /nfs/dbraw/zinc/88/60/22/1192886022.db2.gz MVQRCVBQBBDLJK-KRWDZBQOSA-N 0 0 386.452 0.865 10 0 GCAERN O=C(NCc1ccncc1)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332795458 1192902607 /nfs/dbraw/zinc/90/26/07/1192902607.db2.gz HPOVCNJLRLXOPG-OAGGEKHMSA-N 0 0 379.482 0.808 10 0 GCAERN Cn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1=O ZINC000332816112 1192904504 /nfs/dbraw/zinc/90/45/04/1192904504.db2.gz DVBNQDSEHXWSQQ-RRFJBIMHSA-N 0 0 395.481 0.434 10 0 GCAERN CN1C[C@H](NC(=O)[C@@H]2CCC[C@H](C(=O)N[C@H]3CCC(=O)N(C)C3)C2)CCC1=O ZINC000332875725 1192908193 /nfs/dbraw/zinc/90/81/93/1192908193.db2.gz JZLGPVTYEDPUJN-GEEKYZPCSA-N 0 0 392.500 0.267 10 0 GCAERN CNS(=O)(=O)c1cccc(NCc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000512585076 1192912127 /nfs/dbraw/zinc/91/21/27/1192912127.db2.gz BASDQDWAEQGKLI-UHFFFAOYSA-N 0 0 376.486 0.749 10 0 GCAERN COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)N2CCCCC2=O)cc1 ZINC000471101557 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C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](COc2ccccc2)C1 ZINC000518156269 1195256018 /nfs/dbraw/zinc/25/60/18/1195256018.db2.gz YVDAOBQNKGAPEF-NUJGCVRESA-N 0 0 396.509 0.800 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)[C@@H](C)C1 ZINC000506410217 1195260708 /nfs/dbraw/zinc/26/07/08/1195260708.db2.gz ZLZVVMNZSZAPFB-BBRMVZONSA-N 0 0 375.473 0.517 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)[C@@H](C)C1 ZINC000506410220 1195260809 /nfs/dbraw/zinc/26/08/09/1195260809.db2.gz ZLZVVMNZSZAPFB-XJKSGUPXSA-N 0 0 375.473 0.517 10 0 GCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000518201157 1195265912 /nfs/dbraw/zinc/26/59/12/1195265912.db2.gz SWNLWGHLBWGGID-JSGCOSHPSA-N 0 0 377.445 0.334 10 0 GCAERN Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CC[C@H](S(C)(=O)=O)C3)cc21 ZINC000506429423 1195266088 /nfs/dbraw/zinc/26/60/88/1195266088.db2.gz NRLAIOKRKZOFQA-ZDUSSCGKSA-N 0 0 377.422 0.123 10 0 GCAERN CNS(=O)(=O)CCNC(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 ZINC000439113134 1195287286 /nfs/dbraw/zinc/28/72/86/1195287286.db2.gz BMCKXKIZLLHYOQ-UHFFFAOYSA-N 0 0 399.513 0.900 10 0 GCAERN O=C(CNC(=O)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)NCCO ZINC000439243548 1195300908 /nfs/dbraw/zinc/30/09/08/1195300908.db2.gz CURSCGXYMVWTTA-UHFFFAOYSA-N 0 0 399.329 0.054 10 0 GCAERN Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)CC(C)C)CC3)C2=O)n(C)n1 ZINC000506535168 1195303596 /nfs/dbraw/zinc/30/35/96/1195303596.db2.gz OKGOJGREUONLAB-MRXNPFEDSA-N 0 0 397.545 0.827 10 0 GCAERN Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)CC(C)C)CC3)C2=O)n(C)n1 ZINC000506535167 1195303945 /nfs/dbraw/zinc/30/39/45/1195303945.db2.gz OKGOJGREUONLAB-INIZCTEOSA-N 0 0 397.545 0.827 10 0 GCAERN COCCN(CCO)C(=O)C(=O)Nc1cc(-c2cccc(OC)c2)nn1C ZINC000439360679 1195313294 /nfs/dbraw/zinc/31/32/94/1195313294.db2.gz RYDJCRPOBDHXEH-UHFFFAOYSA-N 0 0 376.413 0.502 10 0 GCAERN CC(=O)N(CCc1ccccc1)CC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000506587034 1195323286 /nfs/dbraw/zinc/32/32/86/1195323286.db2.gz 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CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000473698200 1195442948 /nfs/dbraw/zinc/44/29/48/1195442948.db2.gz RINXLYNIDRSKIH-HNNXBMFYSA-N 0 0 398.485 0.943 10 0 GCAERN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000550120044 1195442950 /nfs/dbraw/zinc/44/29/50/1195442950.db2.gz ITBCDZQWOLSCKC-GOSISDBHSA-N 0 0 397.479 0.648 10 0 GCAERN CN(C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)[C@@H]1CCNC1=O ZINC000534734297 1195444850 /nfs/dbraw/zinc/44/48/50/1195444850.db2.gz HVDZWNJBIKXLDA-UKRRQHHQSA-N 0 0 381.454 0.992 10 0 GCAERN CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cn1 ZINC000473710674 1195447689 /nfs/dbraw/zinc/44/76/89/1195447689.db2.gz BBLULNCJXPVCFI-ZDUSSCGKSA-N 0 0 381.433 0.286 10 0 GCAERN O=C(NCc1cn2ccsc2n1)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000550153095 1195448430 /nfs/dbraw/zinc/44/84/30/1195448430.db2.gz SYWGXGAXVMEWFQ-UHFFFAOYSA-N 0 0 388.428 0.895 10 0 GCAERN Cc1noc(CN2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)CC2)n1 ZINC000101670357 1195453982 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Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cccc4cccnc43)CC2)[nH]1 ZINC000440764607 1195582142 /nfs/dbraw/zinc/58/21/42/1195582142.db2.gz UHDCBNOFVOWFBD-UHFFFAOYSA-N 0 0 379.424 0.944 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3scnc3C3CC3)CC2)[nH]1 ZINC000440765047 1195582260 /nfs/dbraw/zinc/58/22/60/1195582260.db2.gz WFDMFGPLLSUULU-UHFFFAOYSA-N 0 0 375.458 0.730 10 0 GCAERN CCO[C@H]1C[C@](NC(=O)C2CCC3(CC2)NC(=O)NC3=O)(C(=O)OC)C1(C)C ZINC000440849163 1195586482 /nfs/dbraw/zinc/58/64/82/1195586482.db2.gz AXEGXFWTIBFFIJ-CSFBYGSDSA-N 0 0 395.456 0.618 10 0 GCAERN O=C(CN1CCN(C(=O)C(=O)NC2CC2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000052902455 1195602761 /nfs/dbraw/zinc/60/27/61/1195602761.db2.gz ONYNCBVMLCNDIL-GOSISDBHSA-N 0 0 384.480 0.603 10 0 GCAERN CCOC(=O)CNC(=O)C1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000441131351 1195605561 /nfs/dbraw/zinc/60/55/61/1195605561.db2.gz XWCHVYKYGZTCHW-UHFFFAOYSA-N 0 0 391.424 0.745 10 0 GCAERN Cn1ccc(CNC(=O)C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)n1 ZINC000520269321 1195612513 /nfs/dbraw/zinc/61/25/13/1195612513.db2.gz NNUGWXGEQMIWGC-UHFFFAOYSA-N 0 0 390.488 0.659 10 0 GCAERN CCc1nc(C(C)(C)NCC(=O)NCc2ccc(OCC(N)=O)cc2)no1 ZINC000441265031 1195617960 /nfs/dbraw/zinc/61/79/60/1195617960.db2.gz RGACPPUERZRRNF-UHFFFAOYSA-N 0 0 375.429 0.637 10 0 GCAERN Cc1nc(C)n(Cc2cccc(NC(=O)C(=O)N3CC(n4ccnn4)C3)c2)n1 ZINC000441293172 1195620538 /nfs/dbraw/zinc/62/05/38/1195620538.db2.gz DHAINHCUGSRKJL-UHFFFAOYSA-N 0 0 380.412 0.557 10 0 GCAERN CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC ZINC000441352890 1195625327 /nfs/dbraw/zinc/62/53/27/1195625327.db2.gz FVIXDFMTNUEWEG-IBGZPJMESA-N 0 0 391.424 0.355 10 0 GCAERN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)N[C@H]2CCCN(C)C2=O)CC1 ZINC000441399993 1195631745 /nfs/dbraw/zinc/63/17/45/1195631745.db2.gz FXGKSIPWMPSRLR-AWEZNQCLSA-N 0 0 382.461 0.050 10 0 GCAERN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)N[C@H]2CCCN(C)C2=O)C1 ZINC000441403700 1195631932 /nfs/dbraw/zinc/63/19/32/1195631932.db2.gz LKSFZRKAXWVBKR-KGLIPLIRSA-N 0 0 382.461 0.050 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCc2ccc(F)c(F)c2)CC1 ZINC000550331999 1195634639 /nfs/dbraw/zinc/63/46/39/1195634639.db2.gz VOLGECKPUDNESA-UHFFFAOYSA-N 0 0 383.395 0.677 10 0 GCAERN COc1ccc([C@H](C)N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1F ZINC000050509822 1195638745 /nfs/dbraw/zinc/63/87/45/1195638745.db2.gz JDSCFJZLCOADQV-VHSXEESVSA-N 0 0 378.404 0.736 10 0 GCAERN O=C(CNC(=O)c1cccs1)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000112727425 1195640859 /nfs/dbraw/zinc/64/08/59/1195640859.db2.gz MLXVDLUBQOYAPG-UHFFFAOYSA-N 0 0 378.498 0.538 10 0 GCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)C(=O)Nc1cccc(F)c1 ZINC000112755730 1195642968 /nfs/dbraw/zinc/64/29/68/1195642968.db2.gz VCLJVIXQBIUERS-UHFFFAOYSA-N 0 0 376.432 0.825 10 0 GCAERN CN(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000328779186 1195667094 /nfs/dbraw/zinc/66/70/94/1195667094.db2.gz MAWQTGWRHWHHSR-KRWDZBQOSA-N 0 0 393.532 0.537 10 0 GCAERN COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000328911707 1195679662 /nfs/dbraw/zinc/67/96/62/1195679662.db2.gz OIZFJMHDHYOIFI-MRXNPFEDSA-N 0 0 381.498 0.985 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(=O)N(C)C3)CC2)cc1 ZINC000330756971 1195706440 /nfs/dbraw/zinc/70/64/40/1195706440.db2.gz XRMKDPVNBDGXAJ-UHFFFAOYSA-N 0 0 393.465 0.548 10 0 GCAERN CC(=O)N1CCN(Cc2ccc(NC(=O)CS(=O)(=O)N(C)C)cc2)CC1 ZINC000330800681 1195707960 /nfs/dbraw/zinc/70/79/60/1195707960.db2.gz DSKPTVDQBARBJA-UHFFFAOYSA-N 0 0 382.486 0.181 10 0 GCAERN CC(=O)N(C)c1ccc(S(=O)(=O)N2CCN(Cc3nccn3C)CC2)cc1 ZINC000330887559 1195710878 /nfs/dbraw/zinc/71/08/78/1195710878.db2.gz HIOLASAXBWPQRJ-UHFFFAOYSA-N 0 0 391.497 0.909 10 0 GCAERN CC(=O)c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)nc1 ZINC000536318240 1195720179 /nfs/dbraw/zinc/72/01/79/1195720179.db2.gz BBSKKLAQGFTMAU-UHFFFAOYSA-N 0 0 384.377 0.948 10 0 GCAERN CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000458993905 1195748351 /nfs/dbraw/zinc/74/83/51/1195748351.db2.gz WIJPALHOMYPXLV-HNNXBMFYSA-N 0 0 388.534 0.748 10 0 GCAERN Cc1ccccc1-c1cc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)n(C)n1 ZINC000190034163 1195755664 /nfs/dbraw/zinc/75/56/64/1195755664.db2.gz IXXSFYVXPUZGTR-HNNXBMFYSA-N 0 0 385.468 0.859 10 0 GCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccnn2-c2cccc(Cl)c2)CCN1CCO ZINC000190032226 1195755677 /nfs/dbraw/zinc/75/56/77/1195755677.db2.gz VIINETFLRDAKFG-ZDUSSCGKSA-N 0 0 391.859 0.989 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2-c2cccc(Cl)c2)CCN1CCO ZINC000190032207 1195755759 /nfs/dbraw/zinc/75/57/59/1195755759.db2.gz VIINETFLRDAKFG-CYBMUJFWSA-N 0 0 391.859 0.989 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000487391457 1195757826 /nfs/dbraw/zinc/75/78/26/1195757826.db2.gz IZGLACSQQCKSPY-GHMZBOCLSA-N 0 0 386.426 0.192 10 0 GCAERN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000536411868 1195763546 /nfs/dbraw/zinc/76/35/46/1195763546.db2.gz QTSSJJDJPWTWKM-OLZOCXBDSA-N 0 0 397.453 0.355 10 0 GCAERN C[C@H]1CCNC(=O)[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000441499071 1195768055 /nfs/dbraw/zinc/76/80/55/1195768055.db2.gz LTJPTHAEAYCFNF-XJKSGUPXSA-N 0 0 379.482 0.728 10 0 GCAERN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)N[C@H]1CC[S@@](=O)C1 ZINC000332938837 1195782716 /nfs/dbraw/zinc/78/27/16/1195782716.db2.gz JFMMQZPLMGJFLK-SMFONNRLSA-N 0 0 375.450 0.099 10 0 GCAERN C[C@H](CNC(=O)C(=O)NCc1cccc(N2CCOCC2)n1)Cn1cccn1 ZINC000520622652 1195804707 /nfs/dbraw/zinc/80/47/07/1195804707.db2.gz VXLPTQNHPZMMDJ-OAHLLOKOSA-N 0 0 386.456 0.183 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000441637748 1195804891 /nfs/dbraw/zinc/80/48/91/1195804891.db2.gz RYCOVUGWCHOKNV-UHFFFAOYSA-N 0 0 399.451 0.907 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)CC3)CC1 ZINC000441646529 1195806831 /nfs/dbraw/zinc/80/68/31/1195806831.db2.gz KWPZYGMQJAUWIZ-UHFFFAOYSA-N 0 0 388.468 0.713 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)CC1 ZINC000441656898 1195810101 /nfs/dbraw/zinc/81/01/01/1195810101.db2.gz PLXVAHGWQCNHCH-UHFFFAOYSA-N 0 0 379.461 0.672 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)Nc2ccn(CCN3CCOCC3)n2)no1 ZINC000441664029 1195813249 /nfs/dbraw/zinc/81/32/49/1195813249.db2.gz AMRYFOIOSOGUQL-UHFFFAOYSA-N 0 0 377.449 1.218 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2C)CC1 ZINC000441667875 1195813330 /nfs/dbraw/zinc/81/33/30/1195813330.db2.gz NBSXQBXMQDNWCF-UHFFFAOYSA-N 0 0 390.440 0.128 10 0 GCAERN CCn1nc(C)c(NC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)c1C ZINC000441670477 1195813999 /nfs/dbraw/zinc/81/39/99/1195813999.db2.gz OTEUUGBGHLGKBV-UHFFFAOYSA-N 0 0 379.461 0.554 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cc(F)ccc2OC)CC1 ZINC000441671500 1195815069 /nfs/dbraw/zinc/81/50/69/1195815069.db2.gz DIAHPOVQIVSXNB-UHFFFAOYSA-N 0 0 381.404 0.869 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cccc(-n3ccnc3)c2)CC1 ZINC000441675275 1195815076 /nfs/dbraw/zinc/81/50/76/1195815076.db2.gz PMVHRNXCTMLDFE-UHFFFAOYSA-N 0 0 399.451 0.907 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000614646742 1195821099 /nfs/dbraw/zinc/82/10/99/1195821099.db2.gz MQDDTWKUOPNEHL-HNNXBMFYSA-N 0 0 388.468 0.526 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)no1 ZINC000441706087 1195822208 /nfs/dbraw/zinc/82/22/08/1195822208.db2.gz MWPKNROQHNXPPS-UHFFFAOYSA-N 0 0 386.412 0.551 10 0 GCAERN CN(C[C@H](O)CO)C(=O)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000441740337 1195831653 /nfs/dbraw/zinc/83/16/53/1195831653.db2.gz TUENNFONJACKBN-ZDUSSCGKSA-N 0 0 386.330 0.641 10 0 GCAERN COCCNC(=O)Cn1cc(NC(=O)NCC(=O)NC2CCCCC2)cn1 ZINC000474010423 1195832289 /nfs/dbraw/zinc/83/22/89/1195832289.db2.gz YKOOFZFRXRCRHX-UHFFFAOYSA-N 0 0 380.449 0.216 10 0 GCAERN CC(C)NS(=O)(=O)CCNC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000441741440 1195833539 /nfs/dbraw/zinc/83/35/39/1195833539.db2.gz JONKJUWGCQTPHN-UHFFFAOYSA-N 0 0 395.489 0.783 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NC[C@H]2CC[C@H](C)O2)CC1 ZINC000459166209 1195837100 /nfs/dbraw/zinc/83/71/00/1195837100.db2.gz MPGGUHKKTPELMH-LSDHHAIUSA-N 0 0 396.513 0.994 10 0 GCAERN C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CC[C@H](NC(N)=O)C1 ZINC000536488030 1195838090 /nfs/dbraw/zinc/83/80/90/1195838090.db2.gz KVLAHZTZKXDDSR-YJBOKZPZSA-N 0 0 389.500 0.266 10 0 GCAERN C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CC[C@@H](NC(N)=O)C1 ZINC000536488024 1195838188 /nfs/dbraw/zinc/83/81/88/1195838188.db2.gz KVLAHZTZKXDDSR-MAUKXSAKSA-N 0 0 389.500 0.266 10 0 GCAERN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000536494250 1195841987 /nfs/dbraw/zinc/84/19/87/1195841987.db2.gz YLORFEXLQVEGQZ-LLVKDONJSA-N 0 0 398.489 0.277 10 0 GCAERN CNC(=O)c1ccc(S(=O)(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000185436149 1195846316 /nfs/dbraw/zinc/84/63/16/1195846316.db2.gz TXBMQGBCQRAJQZ-UHFFFAOYSA-N 0 0 382.530 0.741 10 0 GCAERN COCCn1ccc(NC(=O)C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)n1 ZINC000441782696 1195846810 /nfs/dbraw/zinc/84/68/10/1195846810.db2.gz BABYLDVFGDHCKG-UHFFFAOYSA-N 0 0 388.350 0.879 10 0 GCAERN Cc1ncc(CS(=O)(=O)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cn1 ZINC000507834883 1195861798 /nfs/dbraw/zinc/86/17/98/1195861798.db2.gz DZUQSWFDMPLRHS-ZDUSSCGKSA-N 0 0 375.406 0.357 10 0 GCAERN Cc1cc(N2CCC[C@@H](N3CCN(c4nccn5cnnc45)CC3)C2=O)n(C)n1 ZINC000507917309 1195872362 /nfs/dbraw/zinc/87/23/62/1195872362.db2.gz IZHMEBZZOHJRBD-OAHLLOKOSA-N 0 0 395.471 0.484 10 0 GCAERN CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc1C ZINC000441818011 1195880140 /nfs/dbraw/zinc/88/01/40/1195880140.db2.gz GVRWXDJMRNYAIP-OCCSQVGLSA-N 0 0 387.440 1.469 10 0 GCAERN CNC(=O)[C@H]1CN(C(=O)NCCN2CCc3c(Cl)cccc3C2)CCO1 ZINC000190866066 1195881773 /nfs/dbraw/zinc/88/17/73/1195881773.db2.gz SERABXSSYVHONX-MRXNPFEDSA-N 0 0 380.876 0.855 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc2cnn(CC)c2nc1C ZINC000507997371 1195885807 /nfs/dbraw/zinc/88/58/07/1195885807.db2.gz FISMRASPOZHUHP-RYUDHWBXSA-N 0 0 375.429 0.946 10 0 GCAERN CC(=O)[C@@H](C)CCCCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000427912286 1195896074 /nfs/dbraw/zinc/89/60/74/1195896074.db2.gz 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CCn1c2ccc(C(=O)N3CCN(Cc4nc(C)no4)CC3)cc2[nH]c(=O)c1=O ZINC000101518149 1196373465 /nfs/dbraw/zinc/37/34/65/1196373465.db2.gz IWWVGPQNJXOHCC-UHFFFAOYSA-N 0 0 398.423 0.359 10 0 GCAERN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 ZINC000121236716 1196379672 /nfs/dbraw/zinc/37/96/72/1196379672.db2.gz BFRKOEBVPJELGZ-AWEZNQCLSA-N 0 0 398.467 0.876 10 0 GCAERN COCCOc1ncccc1CNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000475109521 1196380176 /nfs/dbraw/zinc/38/01/76/1196380176.db2.gz LNNKVXZFTNYLID-MRXNPFEDSA-N 0 0 392.456 0.686 10 0 GCAERN O=C(NCCOc1ccc2c(c1)OCO2)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000475105425 1196380807 /nfs/dbraw/zinc/38/08/07/1196380807.db2.gz CLNZLVXHSJVFNO-OAHLLOKOSA-N 0 0 391.424 0.873 10 0 GCAERN Cc1noc(CN2CCN(C(=O)Cc3c(C)nc4cc(=O)[nH]n4c3C)CC2)n1 ZINC000104878960 1196400492 /nfs/dbraw/zinc/40/04/92/1196400492.db2.gz DTBBFVANTTXVHI-UHFFFAOYSA-N 0 0 385.428 0.218 10 0 GCAERN CCOC1CC(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C1 ZINC000475443230 1196424211 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1197070728 /nfs/dbraw/zinc/07/07/28/1197070728.db2.gz CIUYMTKRDWJHQB-ZDUSSCGKSA-N 0 0 391.815 0.967 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(OC)ccc2OC)CC12COC2 ZINC000452618192 1197073383 /nfs/dbraw/zinc/07/33/83/1197073383.db2.gz VDNUGKBHHRVXJX-ZDUSSCGKSA-N 0 0 392.408 0.680 10 0 GCAERN O=C(Cn1cc(NC(=O)Nc2cccc(N3CCOCC3)c2)cn1)NCCO ZINC000531422514 1197073903 /nfs/dbraw/zinc/07/39/03/1197073903.db2.gz QONWPLKQJHIMSK-UHFFFAOYSA-N 0 0 388.428 0.472 10 0 GCAERN O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000531483716 1197079397 /nfs/dbraw/zinc/07/93/97/1197079397.db2.gz INSOAOVGPZWLOT-QGZVFWFLSA-N 0 0 384.502 0.255 10 0 GCAERN CN(Cc1nnnn1C)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000531550495 1197082677 /nfs/dbraw/zinc/08/26/77/1197082677.db2.gz VKMVFQJTRSGTLW-UHFFFAOYSA-N 0 0 376.440 0.313 10 0 GCAERN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N(C)Cc1nnnn1C)C2=O ZINC000531557931 1197084570 /nfs/dbraw/zinc/08/45/70/1197084570.db2.gz DTUINRSPEUMJQM-GTNSWQLSSA-N 0 0 377.449 0.305 10 0 GCAERN Cn1cnc2c1c(=O)n(CCCN1CCO[C@@H](c3ccccc3)C1)c(=O)n2C ZINC000025949251 1197089312 /nfs/dbraw/zinc/08/93/12/1197089312.db2.gz OQGLQSLOQDWWSD-MRXNPFEDSA-N 0 0 383.452 0.897 10 0 GCAERN CC(=O)N1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)[C@@H](C)C1 ZINC000531661220 1197091106 /nfs/dbraw/zinc/09/11/06/1197091106.db2.gz ZXUAMHRJUCZGJB-DJJJIMSYSA-N 0 0 398.463 0.541 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531755876 1197095350 /nfs/dbraw/zinc/09/53/50/1197095350.db2.gz KUZJCSKUCAROHW-CABCVRRESA-N 0 0 395.481 0.718 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)N[C@H]2CCN(c3ncccc3F)C2)cn1C ZINC000531786550 1197096943 /nfs/dbraw/zinc/09/69/43/1197096943.db2.gz KWSQDCKOTJDCFT-NSHDSACASA-N 0 0 381.433 0.476 10 0 GCAERN CN(Cc1nnnn1C)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000531807711 1197099003 /nfs/dbraw/zinc/09/90/03/1197099003.db2.gz XIYQMEQLGPXURQ-UHFFFAOYSA-N 0 0 386.460 0.090 10 0 GCAERN O=C(NCc1ccc2c(c1)CCS2(=O)=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000531807462 1197099019 /nfs/dbraw/zinc/09/90/19/1197099019.db2.gz ZZQKDRFITLTMED-GOSISDBHSA-N 0 0 377.466 0.828 10 0 GCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000531872529 1197101699 /nfs/dbraw/zinc/10/16/99/1197101699.db2.gz VDKAFYVQAXYWRU-IBGZPJMESA-N 0 0 386.496 0.582 10 0 GCAERN CC(=O)N1CCN(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)[C@H](C)C1 ZINC000531934722 1197104532 /nfs/dbraw/zinc/10/45/32/1197104532.db2.gz RQZOTVWYQKUTSW-CWTRNNRKSA-N 0 0 387.440 0.503 10 0 GCAERN CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532127252 1197115701 /nfs/dbraw/zinc/11/57/01/1197115701.db2.gz ZWQBUXPIKBDRNL-CQSZACIVSA-N 0 0 392.518 0.913 10 0 GCAERN CCSCc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000453720971 1197126261 /nfs/dbraw/zinc/12/62/61/1197126261.db2.gz AKSXKGOOGWQVHV-OAHLLOKOSA-N 0 0 379.482 0.978 10 0 GCAERN Cc1cnc(OC(C)C)c(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000453741050 1197127752 /nfs/dbraw/zinc/12/77/52/1197127752.db2.gz DQBRZHIVCNGYIM-ZDUSSCGKSA-N 0 0 378.429 0.215 10 0 GCAERN CC(C)Oc1ncc(Cl)cc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000453770391 1197129777 /nfs/dbraw/zinc/12/97/77/1197129777.db2.gz TWXBBNDIWFJHCN-LBPRGKRZSA-N 0 0 398.847 0.560 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)CC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000532238005 1197130903 /nfs/dbraw/zinc/13/09/03/1197130903.db2.gz CCUYGKAGBFEFLE-VXGBXAGGSA-N 0 0 384.429 0.962 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)CC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000532237997 1197130979 /nfs/dbraw/zinc/13/09/79/1197130979.db2.gz CCUYGKAGBFEFLE-NEPJUHHUSA-N 0 0 384.429 0.962 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC12COC2 ZINC000453800715 1197132638 /nfs/dbraw/zinc/13/26/38/1197132638.db2.gz LKEPFOATCNXAKO-WFASDCNBSA-N 0 0 390.440 0.831 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)NC)c2)CC12COC2 ZINC000453792130 1197132721 /nfs/dbraw/zinc/13/27/21/1197132721.db2.gz CJHZRFYWZDZCPB-CQSZACIVSA-N 0 0 389.408 0.023 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2nnc(C(C)(C)C)s2)CC12COC2 ZINC000453790733 1197132729 /nfs/dbraw/zinc/13/27/29/1197132729.db2.gz BEDYJOKFRHNFAK-SNVBAGLBSA-N 0 0 396.469 0.812 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC12COC2 ZINC000453795721 1197133196 /nfs/dbraw/zinc/13/31/96/1197133196.db2.gz HBPBHLRFXPGEMS-HNNXBMFYSA-N 0 0 399.407 0.244 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)CC12COC2 ZINC000453795649 1197133319 /nfs/dbraw/zinc/13/33/19/1197133319.db2.gz GWDYUZLPJVLPTM-LBPRGKRZSA-N 0 0 378.429 0.615 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)cc2)CC12COC2 ZINC000453795355 1197133694 /nfs/dbraw/zinc/13/36/94/1197133694.db2.gz GBHJTKCGXXVJEM-MRXNPFEDSA-N 0 0 398.419 0.849 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2C)OCO3)CC12COC2 ZINC000453809398 1197134146 /nfs/dbraw/zinc/13/41/46/1197134146.db2.gz YOIDJSZYBTXEIN-GFCCVEGCSA-N 0 0 390.392 0.700 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2C)OCO3)CC12COC2 ZINC000453809405 1197134322 /nfs/dbraw/zinc/13/43/22/1197134322.db2.gz YOIDJSZYBTXEIN-LBPRGKRZSA-N 0 0 390.392 0.700 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)ncn3C)CC12COC2 ZINC000453809461 1197134355 /nfs/dbraw/zinc/13/43/55/1197134355.db2.gz YUIIQJMOMBFEAZ-CYBMUJFWSA-N 0 0 386.408 0.550 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)CC12COC2 ZINC000453802194 1197137428 /nfs/dbraw/zinc/13/74/28/1197137428.db2.gz NATCNCQNXIAEGH-CYBMUJFWSA-N 0 0 390.440 0.751 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC12COC2 ZINC000453801472 1197137452 /nfs/dbraw/zinc/13/74/52/1197137452.db2.gz MHYRKTPGTLCGFL-CQSZACIVSA-N 0 0 399.407 0.244 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(F)cc2OC)CC12COC2 ZINC000453801494 1197137619 /nfs/dbraw/zinc/13/76/19/1197137619.db2.gz MKNMNUFMQKYWBW-SNVBAGLBSA-N 0 0 398.362 0.950 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(OC)nc2C)CC12COC2 ZINC000453802474 1197138154 /nfs/dbraw/zinc/13/81/54/1197138154.db2.gz NKXDUQNPUJCSGK-GFCCVEGCSA-N 0 0 377.397 0.375 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CC12COC2 ZINC000453804801 1197138357 /nfs/dbraw/zinc/13/83/57/1197138357.db2.gz QOGNLDAWVYYEQM-CYBMUJFWSA-N 0 0 399.407 0.244 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)N(C)CC3)CC12COC2 ZINC000453804767 1197138378 /nfs/dbraw/zinc/13/83/78/1197138378.db2.gz QJMNSIMKKHGDJN-OAHLLOKOSA-N 0 0 387.436 0.656 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2c(C)cccc2OC)CC12COC2 ZINC000453804826 1197138509 /nfs/dbraw/zinc/13/85/09/1197138509.db2.gz QSQJIAFXEHXNNT-ZDUSSCGKSA-N 0 0 376.409 0.980 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc([S@](C)=O)cc2)CC12COC2 ZINC000453803427 1197138633 /nfs/dbraw/zinc/13/86/33/1197138633.db2.gz OIVQQDVAQCUEAI-PWFNWSNSSA-N 0 0 394.449 0.401 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnc([C@H](C)CC)nc2)CC12COC2 ZINC000453804749 1197138635 /nfs/dbraw/zinc/13/86/35/1197138635.db2.gz QGQNOXQTCBOGNT-OCCSQVGLSA-N 0 0 390.440 0.967 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(N)=O)c(C)c2)CC12COC2 ZINC000453806800 1197138924 /nfs/dbraw/zinc/13/89/24/1197138924.db2.gz SZXKBMNFVMCDAV-AWEZNQCLSA-N 0 0 389.408 0.071 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC12COC2 ZINC000453805442 1197139234 /nfs/dbraw/zinc/13/92/34/1197139234.db2.gz RJHXRAUHODQZAM-LOKFHWFJSA-N 0 0 394.449 0.401 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2OCCO3)CC12COC2 ZINC000453808801 1197139812 /nfs/dbraw/zinc/13/98/12/1197139812.db2.gz XAIOYTJWDVGQJR-LBPRGKRZSA-N 0 0 390.392 0.434 10 0 GCAERN CN(Cc1nnnn1C)C(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000532322905 1197144044 /nfs/dbraw/zinc/14/40/44/1197144044.db2.gz WZHGJMRQMOHBKP-CXAGYDPISA-N 0 0 390.444 0.898 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CC[C@H](OCc2ccncc2)C1 ZINC000172249133 1197159637 /nfs/dbraw/zinc/15/96/37/1197159637.db2.gz FAJMFVQFEVAOFI-HNNXBMFYSA-N 0 0 380.404 0.903 10 0 GCAERN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172359821 1197172689 /nfs/dbraw/zinc/17/26/89/1197172689.db2.gz MAWPUCWXHWNUQX-XEWABKELSA-N 0 0 383.448 0.678 10 0 GCAERN CCc1cnc(CCNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)s1 ZINC000173036428 1197175640 /nfs/dbraw/zinc/17/56/40/1197175640.db2.gz BGOOOTNBFKGBGY-CQSZACIVSA-N 0 0 380.514 0.545 10 0 GCAERN NC(=O)Cn1cc(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)nn1 ZINC000173317667 1197176783 /nfs/dbraw/zinc/17/67/83/1197176783.db2.gz UGEVVACZZRAIAS-NSHDSACASA-N 0 0 378.383 0.436 10 0 GCAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)cc12 ZINC000173417415 1197176786 /nfs/dbraw/zinc/17/67/86/1197176786.db2.gz HIOSKMHKQVUADS-CYBMUJFWSA-N 0 0 389.485 0.958 10 0 GCAERN CN(CCNS(=O)(=O)c1cnn(C)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000173373124 1197176798 /nfs/dbraw/zinc/17/67/98/1197176798.db2.gz BVVPYDJFBQUIQM-INIZCTEOSA-N 0 0 377.470 0.436 10 0 GCAERN Cn1cc(S(=O)(=O)NCCN2CCC(c3nnc4ccccn43)CC2)cn1 ZINC000173733637 1197177357 /nfs/dbraw/zinc/17/73/57/1197177357.db2.gz IXAVNHCQUGGNBQ-UHFFFAOYSA-N 0 0 389.485 0.621 10 0 GCAERN Cn1cc(N2CCC[C@@H](NC(=O)CN3CCN(c4ccccn4)CC3)C2)cn1 ZINC000173469664 1197177389 /nfs/dbraw/zinc/17/73/89/1197177389.db2.gz GJUGEFJRYGZGKJ-QGZVFWFLSA-N 0 0 383.500 0.722 10 0 GCAERN CCCS(=O)(=O)NC1CCN([C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173532701 1197177789 /nfs/dbraw/zinc/17/77/89/1197177789.db2.gz VRPUVCPABHTVME-OAHLLOKOSA-N 0 0 383.518 0.628 10 0 GCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000174009571 1197180320 /nfs/dbraw/zinc/18/03/20/1197180320.db2.gz AALKAJGXIAOQIT-WMLDXEAASA-N 0 0 391.516 0.265 10 0 GCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000174009597 1197180688 /nfs/dbraw/zinc/18/06/88/1197180688.db2.gz AALKAJGXIAOQIT-YOEHRIQHSA-N 0 0 391.516 0.265 10 0 GCAERN COC(=O)C[C@H](C)N1CCN(C(=O)C2CCN(Cc3nccn3C)CC2)CC1 ZINC000174382805 1197180723 /nfs/dbraw/zinc/18/07/23/1197180723.db2.gz QDADSFRPNCVLQL-INIZCTEOSA-N 0 0 391.516 0.728 10 0 GCAERN Cc1cc(N2CC[C@@H](NC(=O)CNC(=O)c3ccc(C)c(C)c3)C2=O)n(C)n1 ZINC000174596017 1197181921 /nfs/dbraw/zinc/18/19/21/1197181921.db2.gz VVEWHKFBWZMKGX-MRXNPFEDSA-N 0 0 383.452 0.997 10 0 GCAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c(C)o1 ZINC000176175084 1197186006 /nfs/dbraw/zinc/18/60/06/1197186006.db2.gz MWMGPVKZDSRUTJ-GFCCVEGCSA-N 0 0 381.458 0.628 10 0 GCAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCN(CC(N)=O)CC1)CC2 ZINC000177022184 1197188128 /nfs/dbraw/zinc/18/81/28/1197188128.db2.gz NREVYFAECQZGEL-LLVKDONJSA-N 0 0 385.390 0.538 10 0 GCAERN CNS(=O)(=O)C[C@H]1CCCN1CC(=O)NCCc1cccc2cccnc21 ZINC000475730806 1197194452 /nfs/dbraw/zinc/19/44/52/1197194452.db2.gz AQOJLSWSCWZUFZ-QGZVFWFLSA-N 0 0 390.509 0.907 10 0 GCAERN Cc1cc([C@H]2CN(Cc3nc4c([nH]3)n(C)c(=O)n(C)c4=O)CCO2)ccc1F ZINC000180848488 1197202421 /nfs/dbraw/zinc/20/24/21/1197202421.db2.gz SDFMUDUHJSJWQO-CQSZACIVSA-N 0 0 387.415 0.981 10 0 GCAERN Cn1cc(N2CCN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)cn1 ZINC000182553774 1197207575 /nfs/dbraw/zinc/20/75/75/1197207575.db2.gz LXOOWCOPYSCBKN-QGZVFWFLSA-N 0 0 383.456 0.842 10 0 GCAERN C[C@@H]1NC(C(=O)NCCc2nnc3n2CCCC3)=NN(c2ccccc2)C1=O ZINC000184113522 1197210418 /nfs/dbraw/zinc/21/04/18/1197210418.db2.gz WVJAAICFWUSJIJ-ZDUSSCGKSA-N 0 0 381.440 0.612 10 0 GCAERN C[C@H](NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cn(-c2ccccc2)nn1 ZINC000185457266 1197214090 /nfs/dbraw/zinc/21/40/90/1197214090.db2.gz WQSYTFOBRGGUNW-NSHDSACASA-N 0 0 380.412 0.392 10 0 GCAERN CCN(C(=O)CN[C@@H](C)c1cn(-c2ccccc2)nn1)[C@@H]1CCS(=O)(=O)C1 ZINC000185483029 1197214490 /nfs/dbraw/zinc/21/44/90/1197214490.db2.gz VWHIHHBVEOJBQN-GOEBONIOSA-N 0 0 391.497 0.954 10 0 GCAERN C[C@]1(C(N)=O)CCCCN1CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000185962699 1197226763 /nfs/dbraw/zinc/22/67/63/1197226763.db2.gz OMBMHJUVHLPCNU-MRXNPFEDSA-N 0 0 377.836 0.984 10 0 GCAERN O=C(NCC1CCS(=O)(=O)CC1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000187289972 1197230370 /nfs/dbraw/zinc/23/03/70/1197230370.db2.gz BXZMGJZDVJKSSF-UHFFFAOYSA-N 0 0 381.502 0.944 10 0 GCAERN Cn1c2ncn(CC(=O)N3Cc4ccccc4C4(CC4)C3)c2c(=O)n(C)c1=O 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1197281161 /nfs/dbraw/zinc/28/11/61/1197281161.db2.gz GFBCPBDQVWPQDZ-CYBMUJFWSA-N 0 0 385.486 0.789 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000909673738 1197285354 /nfs/dbraw/zinc/28/53/54/1197285354.db2.gz ZDCHMOHUVGQGSS-KRWDZBQOSA-N 0 0 393.415 0.265 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)O[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000909674548 1197287057 /nfs/dbraw/zinc/28/70/57/1197287057.db2.gz RBWRXQGKXCEQEI-VMGRFDJRSA-N 0 0 376.409 0.805 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1 ZINC000909675837 1197291081 /nfs/dbraw/zinc/29/10/81/1197291081.db2.gz QKVHAPFEGKUJCS-ZBEGNZNMSA-N 0 0 384.379 0.803 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCC(=O)NCCCOc2cccc(C)c2)C1 ZINC000909676949 1197294964 /nfs/dbraw/zinc/29/49/64/1197294964.db2.gz XNONYONJIYVUEL-QGZVFWFLSA-N 0 0 378.425 0.671 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H](O)C(C)(C)C2)C1 ZINC000366154453 1197300786 /nfs/dbraw/zinc/30/07/86/1197300786.db2.gz 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ZINC000784905267 1184129190 /nfs/dbraw/zinc/12/91/90/1184129190.db2.gz BTLGTDFTQMNPFT-LBPRGKRZSA-N 0 0 376.413 0.338 10 0 GCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)C(=O)Nc3cncc(OC(C)C)n3)[C@@H]2C1 ZINC000654831929 1184156279 /nfs/dbraw/zinc/15/62/79/1184156279.db2.gz RPGPBIJZLMFRLE-RRFJBIMHSA-N 0 0 389.456 0.966 10 0 GCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCN(c3nncn3C)CC2)c1 ZINC000654905850 1184197461 /nfs/dbraw/zinc/19/74/61/1184197461.db2.gz PMZRKRDUMPEYAM-UHFFFAOYSA-N 0 0 385.428 0.085 10 0 GCAERN Cc1cnn(Cc2cc(C(=O)N[C@H]3CCN(c4cc(C)nn4C)C3=O)no2)c1 ZINC000153961511 1184228987 /nfs/dbraw/zinc/22/89/87/1184228987.db2.gz RYMVTGSCLMMJBD-AWEZNQCLSA-N 0 0 383.412 0.805 10 0 GCAERN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000607721018 1184255417 /nfs/dbraw/zinc/25/54/17/1184255417.db2.gz MXXWJPHGNVJPTP-UGSOOPFHSA-N 0 0 381.498 0.870 10 0 GCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)n(-c2ccccc2C)n1 ZINC000535605635 1184265984 /nfs/dbraw/zinc/26/59/84/1184265984.db2.gz BRRDAVHGBIFMBX-CYBMUJFWSA-N 0 0 376.438 0.731 10 0 GCAERN Cn1ncc2c1ncn(CC(=O)N1CCN(C(=O)Cc3ccccc3)CC1)c2=O ZINC000046633491 1184369566 /nfs/dbraw/zinc/36/95/66/1184369566.db2.gz PYHBRLLOSYYLCJ-UHFFFAOYSA-N 0 0 394.435 0.044 10 0 GCAERN C[C@H](NC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)c1ncn(C)n1 ZINC000547709605 1184385744 /nfs/dbraw/zinc/38/57/44/1184385744.db2.gz KEMVOUOFGVOHKD-LBPRGKRZSA-N 0 0 390.469 0.662 10 0 GCAERN CN(C)c1nccc(N2CCN(Cc3csc(CS(C)(=O)=O)n3)CC2)n1 ZINC000471187826 1184386157 /nfs/dbraw/zinc/38/61/57/1184386157.db2.gz SVKGNXNINUCWEF-UHFFFAOYSA-N 0 0 396.542 0.866 10 0 GCAERN COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C(C)C)C(F)(F)F)cn1 ZINC000471197111 1184406754 /nfs/dbraw/zinc/40/67/54/1184406754.db2.gz ZIAKRAIRSOPNTH-LBPRGKRZSA-N 0 0 393.366 0.287 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000547732820 1184442311 /nfs/dbraw/zinc/44/23/11/1184442311.db2.gz YXQLNAYWTACKBO-OAQYLSRUSA-N 0 0 399.447 0.639 10 0 GCAERN CO[C@H]1CC[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000530520714 1184473826 /nfs/dbraw/zinc/47/38/26/1184473826.db2.gz MERXWWQETHNFTM-KGLIPLIRSA-N 0 0 381.454 0.104 10 0 GCAERN CO[C@H]1Cc2ccc(NC(=O)C(=O)N3CCN(Cc4nnc(C)[nH]4)CC3)cc2C1 ZINC000784955185 1184493651 /nfs/dbraw/zinc/49/36/51/1184493651.db2.gz DPVZTLQLPXLNMG-KRWDZBQOSA-N 0 0 398.467 0.510 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cnc(Cl)c(C)c3)CC2)[nH]1 ZINC000784957246 1184529397 /nfs/dbraw/zinc/52/93/97/1184529397.db2.gz OQFZNGSKXSUPOG-UHFFFAOYSA-N 0 0 377.836 0.753 10 0 GCAERN Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000547775846 1184546979 /nfs/dbraw/zinc/54/69/79/1184546979.db2.gz FGQKLAPQZJHGHR-OAHLLOKOSA-N 0 0 377.445 0.331 10 0 GCAERN CCO[C@@H]1C[C@@]2(NC(=O)N([C@@H]3CCN(C4CCOCC4)C3=O)C2=O)C1(C)C ZINC000683318146 1184550714 /nfs/dbraw/zinc/55/07/14/1184550714.db2.gz QRJIXXKHYOPJQM-LPMFXHHGSA-N 0 0 379.457 0.892 10 0 GCAERN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC(CNS(C)(=O)=O)CC1 ZINC000510174207 1184591194 /nfs/dbraw/zinc/59/11/94/1184591194.db2.gz FJIXJVWQTOYWPX-HIFRSBDPSA-N 0 0 388.534 0.652 10 0 GCAERN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC(CNS(C)(=O)=O)CC1 ZINC000510215461 1184615015 /nfs/dbraw/zinc/61/50/15/1184615015.db2.gz SZJWNLFPRVXIGX-HNNXBMFYSA-N 0 0 389.518 0.192 10 0 GCAERN CS(=O)(=O)NCC1CCN(CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000510256724 1184676282 /nfs/dbraw/zinc/67/62/82/1184676282.db2.gz KYMCXUDIGNXBEW-UHFFFAOYSA-N 0 0 389.468 0.885 10 0 GCAERN COC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1 ZINC000610270011 1184714096 /nfs/dbraw/zinc/71/40/96/1184714096.db2.gz ZPNMPYFNIIXEMY-IAQYHMDHSA-N 0 0 392.437 0.679 10 0 GCAERN C[C@H]1CN(c2nc3c(c(N4CC(=O)N(C)[C@@H](C)C4)n2)SCC3)CC(=O)N1C ZINC000286519114 1184724102 /nfs/dbraw/zinc/72/41/02/1184724102.db2.gz RLRGRKSPAVIJBC-RYUDHWBXSA-N 0 0 390.513 0.459 10 0 GCAERN CC(=O)N1CCCc2ccc(S(=O)(=O)N3CCN4C[C@H](O)C[C@H]4C3)cc21 ZINC000655648186 1184765585 /nfs/dbraw/zinc/76/55/85/1184765585.db2.gz HGSKRVIYMDRKCA-JKSUJKDBSA-N 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COC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000580009334 1184904206 /nfs/dbraw/zinc/90/42/06/1184904206.db2.gz BNWZRJLCQVUVSH-CXAGYDPISA-N 0 0 384.498 0.959 10 0 GCAERN Cn1cc([C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)C(F)(F)F)cn1 ZINC000683721012 1184931693 /nfs/dbraw/zinc/93/16/93/1184931693.db2.gz NVBDVULDQQBSGB-CYBMUJFWSA-N 0 0 392.359 0.866 10 0 GCAERN COC(=O)c1cn([C@@H]2CCCN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)C2)nn1 ZINC000548011211 1184948904 /nfs/dbraw/zinc/94/89/04/1184948904.db2.gz BYLBDCHRIDQYAL-CHWSQXEVSA-N 0 0 388.428 0.779 10 0 GCAERN COC(=O)[C@@H]1COCCN1C(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000471511022 1184997867 /nfs/dbraw/zinc/99/78/67/1184997867.db2.gz FHXUGINIFIHDST-LBPRGKRZSA-N 0 0 379.438 0.865 10 0 GCAERN Cn1cc(/C=C\C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c(=O)n(C)c1=O ZINC000255164445 1185019856 /nfs/dbraw/zinc/01/98/56/1185019856.db2.gz IUIBYXBIUJLREK-HJWRWDBZSA-N 0 0 392.419 0.398 10 0 GCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000152130644 1185022929 /nfs/dbraw/zinc/02/29/29/1185022929.db2.gz CAXFWRWKAWVUPM-UHFFFAOYSA-N 0 0 375.473 0.284 10 0 GCAERN O=C(Nc1cnn(CCN2CCOCC2)c1)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000548054840 1185032842 /nfs/dbraw/zinc/03/28/42/1185032842.db2.gz GFVOQNJIEXCGRA-OAHLLOKOSA-N 0 0 375.433 1.434 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000548059967 1185051138 /nfs/dbraw/zinc/05/11/38/1185051138.db2.gz MWOHHIWEONRBLI-LJQANCHMSA-N 0 0 384.392 0.290 10 0 GCAERN Cn1c(=O)ccc2ccc(NC(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)cc21 ZINC000683797435 1185051235 /nfs/dbraw/zinc/05/12/35/1185051235.db2.gz XXDAKIXFSLERQU-AWEZNQCLSA-N 0 0 379.438 0.552 10 0 GCAERN C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275786944 1185052343 /nfs/dbraw/zinc/05/23/43/1185052343.db2.gz SDJZOHSNFDIKCD-HIFRSBDPSA-N 0 0 375.473 0.560 10 0 GCAERN O=C(NCc1cccc(N2CCOCC2)n1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000580145795 1185087598 /nfs/dbraw/zinc/08/75/98/1185087598.db2.gz JCXFZVPDLSXXDP-UHFFFAOYSA-N 0 0 387.362 0.792 10 0 GCAERN COC(=O)/C(C)=C/COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000748155366 1185118023 /nfs/dbraw/zinc/11/80/23/1185118023.db2.gz BCFSZIKHDAMEOZ-NTUHNPAUSA-N 0 0 383.422 0.984 10 0 GCAERN COC(=O)/C(C)=C\COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000748155367 1185118322 /nfs/dbraw/zinc/11/83/22/1185118322.db2.gz BCFSZIKHDAMEOZ-QPEQYQDCSA-N 0 0 383.422 0.984 10 0 GCAERN Cn1c(=O)c2ccc(C(=O)NCc3ccncc3C(F)(F)F)nc2n(C)c1=O ZINC000548067371 1185124766 /nfs/dbraw/zinc/12/47/66/1185124766.db2.gz XAFKOOZFHMDNLP-UHFFFAOYSA-N 0 0 393.325 0.976 10 0 GCAERN Cn1nnc(CNC(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)n1 ZINC000683860188 1185151012 /nfs/dbraw/zinc/15/10/12/1185151012.db2.gz YEESZQYQSRNAQZ-CYBMUJFWSA-N 0 0 379.446 0.326 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C[C@H](O)CCOC(C)C)CC1 ZINC000471555977 1185153159 /nfs/dbraw/zinc/15/31/59/1185153159.db2.gz OJZPDYXVAQFYCL-MRXNPFEDSA-N 0 0 385.530 0.893 10 0 GCAERN C[C@@H](Cn1cncn1)NC(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000066599266 1185165304 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Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CCCN(c2ccnn2C)C1=O ZINC000580689637 1185307267 /nfs/dbraw/zinc/30/72/67/1185307267.db2.gz JMRWZEYSLSYFEH-NSHDSACASA-N 0 0 384.396 0.494 10 0 GCAERN C[C@H](CNC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)N1CCc2ccccc21 ZINC000580731230 1185317305 /nfs/dbraw/zinc/31/73/05/1185317305.db2.gz DRHOUHKULUYEIZ-QVKFZJNVSA-N 0 0 384.480 0.683 10 0 GCAERN O=C(NCCCN1CCc2ccccc21)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000580848249 1185394529 /nfs/dbraw/zinc/39/45/29/1185394529.db2.gz PTOIUUXSSHDSEI-OAQYLSRUSA-N 0 0 384.480 0.684 10 0 GCAERN NS(=O)(=O)N1CCC(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)CC1 ZINC000580966545 1185453012 /nfs/dbraw/zinc/45/30/12/1185453012.db2.gz DDBWPNSFQNBVDX-AWEZNQCLSA-N 0 0 398.510 0.442 10 0 GCAERN O=C(NCCOC[C@@H]1CCCO1)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000581027734 1185473507 /nfs/dbraw/zinc/47/35/07/1185473507.db2.gz AUWXVHUBKDJMBQ-HNNXBMFYSA-N 0 0 380.420 0.181 10 0 GCAERN CC(=O)N[C@](C)(C(=O)N(CCO)CC1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000581148412 1185516575 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GCAERN O=C(NCCCN1CCOCC1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000581502286 1185730760 /nfs/dbraw/zinc/73/07/60/1185730760.db2.gz IKJULUCWCFFUGW-UHFFFAOYSA-N 0 0 394.516 0.076 10 0 GCAERN Cc1nnc2n1C[C@@H](CNC(=O)NCc1cccc(N3CCOCC3)n1)CC2 ZINC000548184435 1185735247 /nfs/dbraw/zinc/73/52/47/1185735247.db2.gz BGTXWDOACXZKCE-OAHLLOKOSA-N 0 0 385.472 0.880 10 0 GCAERN CN(Cc1ncccn1)[C@H]1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000276345824 1185749741 /nfs/dbraw/zinc/74/97/41/1185749741.db2.gz HKHIDOPMJYGIGX-GJZGRUSLSA-N 0 0 396.517 0.116 10 0 GCAERN CCN(C(=O)NCc1cccc(N2CCOCC2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000548189249 1185755720 /nfs/dbraw/zinc/75/57/20/1185755720.db2.gz NFRXPKYRVIUZTC-HNNXBMFYSA-N 0 0 382.486 0.637 10 0 GCAERN C[C@H](NC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)c1nnc2ccccn21 ZINC000276358268 1185761882 /nfs/dbraw/zinc/76/18/82/1185761882.db2.gz IDMAQKSAOGACPM-KBPBESRZSA-N 0 0 396.455 0.852 10 0 GCAERN CO[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000471674273 1185782768 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375.498 0.727 10 0 GCAERN CC(C)CN1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1=O ZINC000548290053 1185942007 /nfs/dbraw/zinc/94/20/07/1185942007.db2.gz JDAYUUOOFDRUBA-UHFFFAOYSA-N 0 0 393.532 0.441 10 0 GCAERN COC(CN(CCCO)C(=O)C(=O)Nc1cccc(N2CCOCC2)c1)OC ZINC000785076718 1185960085 /nfs/dbraw/zinc/96/00/85/1185960085.db2.gz TVYLEKQMSIDIHY-UHFFFAOYSA-N 0 0 395.456 0.292 10 0 GCAERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000276688013 1185967933 /nfs/dbraw/zinc/96/79/33/1185967933.db2.gz OJMACLZSCJQOAJ-BKGUAONASA-N 0 0 375.429 0.334 10 0 GCAERN CC(=O)N1CCCc2ccc(S(=O)(=O)NCc3nc(C(N)=O)co3)cc21 ZINC000657070032 1185998038 /nfs/dbraw/zinc/99/80/38/1185998038.db2.gz CULPCNSKDNMSPW-UHFFFAOYSA-N 0 0 378.410 0.551 10 0 GCAERN CN1CC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCC2CCCC2)CC1=O ZINC000684484907 1185998057 /nfs/dbraw/zinc/99/80/57/1185998057.db2.gz FLSVSYKDKVJBPM-CABCVRRESA-N 0 0 380.489 0.444 10 0 GCAERN Cn1cc(/C=C\C(=O)NCCOc2ncccc2C(F)(F)F)c(=O)n(C)c1=O ZINC000255395393 1186017878 /nfs/dbraw/zinc/01/78/78/1186017878.db2.gz AARBIXBOXKCNSB-WAYWQWQTSA-N 0 0 398.341 0.706 10 0 GCAERN O=C(N=c1ccn(CCN2CCOCC2)[nH]1)N=c1cc([C@@H]2CCCO2)[nH][nH]1 ZINC000548382213 1186025548 /nfs/dbraw/zinc/02/55/48/1186025548.db2.gz DJESJCSMEASERJ-AWEZNQCLSA-N 0 0 375.433 0.278 10 0 GCAERN COc1cc(NC(=O)CN2CCOCC2=O)c(C(=O)N2CCCC2)cc1OC ZINC000548389149 1186038387 /nfs/dbraw/zinc/03/83/87/1186038387.db2.gz WFFPNDLOTLQXSH-UHFFFAOYSA-N 0 0 391.424 0.737 10 0 GCAERN CC(=O)N1c2ccc(S(=O)(=O)NC[C@@]3(OCCO)CCOC3)cc2C[C@@H]1C ZINC000657087194 1186046996 /nfs/dbraw/zinc/04/69/96/1186046996.db2.gz WTCJVODYPHUHST-UGSOOPFHSA-N 0 0 398.481 0.430 10 0 GCAERN O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCC(c2ncc[nH]2)CC1 ZINC000548414304 1186080605 /nfs/dbraw/zinc/08/06/05/1186080605.db2.gz HDGHVVCPJXHNHN-UHFFFAOYSA-N 0 0 388.453 0.971 10 0 GCAERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000276820299 1186090031 /nfs/dbraw/zinc/09/00/31/1186090031.db2.gz XJNISSWEKUVTME-SWLSCSKDSA-N 0 0 375.429 0.479 10 0 GCAERN CNC(=O)c1ccc(S(=O)(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)cc1 ZINC000276968984 1186181297 /nfs/dbraw/zinc/18/12/97/1186181297.db2.gz QZLCXFANGSLABT-INIZCTEOSA-N 0 0 381.498 0.778 10 0 GCAERN Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NS(=O)(=O)N2CCC[C@@H]2C)c1 ZINC000471974735 1186190024 /nfs/dbraw/zinc/19/00/24/1186190024.db2.gz BPAARUSOZNIBEU-LBPRGKRZSA-N 0 0 399.498 0.969 10 0 GCAERN CCc1nnc([C@@H](C)NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)[nH]1 ZINC000535676092 1186196483 /nfs/dbraw/zinc/19/64/83/1186196483.db2.gz PANIXOLKSYYGMM-CYBMUJFWSA-N 0 0 377.493 0.672 10 0 GCAERN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000535680298 1186197079 /nfs/dbraw/zinc/19/70/79/1186197079.db2.gz LNWKTSGVLLEKFQ-ZDUSSCGKSA-N 0 0 391.428 0.442 10 0 GCAERN NC(=O)N[C@H]1CCN(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 ZINC000535672336 1186198178 /nfs/dbraw/zinc/19/81/78/1186198178.db2.gz REEBHTDKBMRFNW-ZDUSSCGKSA-N 0 0 391.428 0.199 10 0 GCAERN NC(=O)N[C@H]1CCN(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1 ZINC000535704454 1186200248 /nfs/dbraw/zinc/20/02/48/1186200248.db2.gz IFAUVCBYPFSKHI-HOTGVXAUSA-N 0 0 389.456 0.548 10 0 GCAERN NC(=O)N[C@@H]1CCN(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000535703949 1186200724 /nfs/dbraw/zinc/20/07/24/1186200724.db2.gz DMKWBZGVYVVBHB-HZPDHXFCSA-N 0 0 379.436 0.651 10 0 GCAERN O=C(NC[C@@H](O)Cn1ccnn1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000458127010 1186204166 /nfs/dbraw/zinc/20/41/66/1186204166.db2.gz CONDUBCIQUEOPL-GFCCVEGCSA-N 0 0 381.318 0.669 10 0 GCAERN CC[C@H](C(=O)NC[C@@H](O)Cn1ccnn1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000458126947 1186204389 /nfs/dbraw/zinc/20/43/89/1186204389.db2.gz CCABPCBMNLJUNA-ZIAGYGMSSA-N 0 0 390.835 0.713 10 0 GCAERN CC(C)(CNC(=O)NC[C@H](O)Cn1ccnn1)c1ccc2c(c1)OCCO2 ZINC000458129164 1186204793 /nfs/dbraw/zinc/20/47/93/1186204793.db2.gz FHEWUYARNVYENX-AWEZNQCLSA-N 0 0 375.429 0.687 10 0 GCAERN CC(C)C[C@H](C(=O)NC[C@H](O)Cn1ccnn1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000458131018 1186204995 /nfs/dbraw/zinc/20/49/95/1186204995.db2.gz QQSGEXIKCNTZKM-ZJIFWQFVSA-N 0 0 389.456 0.121 10 0 GCAERN CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@H](O)Cn2ccnn2)C(C)C)cc1 ZINC000458129401 1186205062 /nfs/dbraw/zinc/20/50/62/1186205062.db2.gz OKUSCRZPAUBUER-RDJZCZTQSA-N 0 0 389.456 0.609 10 0 GCAERN COc1ccc(C(=O)N[C@H](C(=O)NC[C@H](O)Cn2ccnn2)C(C)C)cc1 ZINC000458137194 1186207282 /nfs/dbraw/zinc/20/72/82/1186207282.db2.gz YQHPVUUOXKZQFV-HOCLYGCPSA-N 0 0 375.429 0.218 10 0 GCAERN CCc1c(C(=O)NC[C@@H](O)Cn2ccnn2)nnn1-c1cccc(Cl)c1 ZINC000458140473 1186208333 /nfs/dbraw/zinc/20/83/33/1186208333.db2.gz NQXKVCAPTMQVCH-CYBMUJFWSA-N 0 0 375.820 0.866 10 0 GCAERN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458153424 1186208920 /nfs/dbraw/zinc/20/89/20/1186208920.db2.gz YOSPBPUQCMUJNE-JCGIZDLHSA-N 0 0 385.468 0.755 10 0 GCAERN CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(CC(=O)NC2CC2)CC1 ZINC000023300216 1186218452 /nfs/dbraw/zinc/21/84/52/1186218452.db2.gz LRCWOIXMMCIAIB-UHFFFAOYSA-N 0 0 399.495 0.647 10 0 GCAERN COC(=O)C(C)(C)[C@H](NC(=O)NCCN1C(=O)CNC1=O)c1ccccc1 ZINC000610846234 1186244749 /nfs/dbraw/zinc/24/47/49/1186244749.db2.gz SMLVCFYZGCIODH-CQSZACIVSA-N 0 0 376.413 0.778 10 0 GCAERN Cc1nccc(CN2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)n1 ZINC000684617001 1186252300 /nfs/dbraw/zinc/25/23/00/1186252300.db2.gz LVBGTBFHFRWXGN-UHFFFAOYSA-N 0 0 388.453 0.873 10 0 GCAERN O=C(CNS(=O)(=O)c1cccs1)NCc1cccc(N2CCOCC2)n1 ZINC000548501928 1186260030 /nfs/dbraw/zinc/26/00/30/1186260030.db2.gz XGTTXKMPOXPYDD-UHFFFAOYSA-N 0 0 396.494 0.574 10 0 GCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(CCOc2ccccc2)CC1 ZINC000097058418 1186265944 /nfs/dbraw/zinc/26/59/44/1186265944.db2.gz DXNVQBKYAFVPAK-QGZVFWFLSA-N 0 0 388.512 0.809 10 0 GCAERN CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)nn1 ZINC000150745143 1186270081 /nfs/dbraw/zinc/27/00/81/1186270081.db2.gz ALGBKCCVXNUVDG-LLVKDONJSA-N 0 0 378.383 0.653 10 0 GCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000684634174 1186277049 /nfs/dbraw/zinc/27/70/49/1186277049.db2.gz BNQYBGRFQZRWJS-YPMHNXCESA-N 0 0 387.444 0.526 10 0 GCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000684634172 1186277326 /nfs/dbraw/zinc/27/73/26/1186277326.db2.gz BNQYBGRFQZRWJS-WCQYABFASA-N 0 0 387.444 0.526 10 0 GCAERN COc1cc(OC)c(CCNC(=O)NC[C@H](O)Cn2ccnn2)c(OC)c1 ZINC000458355714 1186283330 /nfs/dbraw/zinc/28/33/30/1186283330.db2.gz JLLBUIXJWXDGKG-LBPRGKRZSA-N 0 0 379.417 0.207 10 0 GCAERN CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000151358798 1186286844 /nfs/dbraw/zinc/28/68/44/1186286844.db2.gz NWYDMIHQKJAUOI-GJZGRUSLSA-N 0 0 398.454 0.878 10 0 GCAERN O=C(NCc1cccc(N2CCOCC2)n1)N1CCN(Cc2ncc[nH]2)CC1 ZINC000548517873 1186291999 /nfs/dbraw/zinc/29/19/99/1186291999.db2.gz VOXSELGKAGCWBZ-UHFFFAOYSA-N 0 0 385.472 0.669 10 0 GCAERN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000151551204 1186292420 /nfs/dbraw/zinc/29/24/20/1186292420.db2.gz ZQRUQJWXEVUSJB-STQMWFEESA-N 0 0 397.526 0.934 10 0 GCAERN COc1ccc(NC(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)c(OC)n1 ZINC000684649401 1186297616 /nfs/dbraw/zinc/29/76/16/1186297616.db2.gz BJPBMQROSQUXAL-SFHVURJKSA-N 0 0 379.413 0.834 10 0 GCAERN CC1(C)CN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)C[C@]2(CCOC2)O1 ZINC000684649900 1186298411 /nfs/dbraw/zinc/29/84/11/1186298411.db2.gz GSRGQBZWYFFRJZ-IBGZPJMESA-N 0 0 389.408 0.753 10 0 GCAERN CC1(C)CN(C(=O)C(=O)Nc2cnc3c(c2)COCC3)C[C@]2(CCOC2)O1 ZINC000684650843 1186299541 /nfs/dbraw/zinc/29/95/41/1186299541.db2.gz OQPZDKQGNGYRMT-IBGZPJMESA-N 0 0 375.425 0.889 10 0 GCAERN CC(=O)N1CCN(C(=O)CN2C(=O)NC3(CC(c4ccccc4)C3)C2=O)CC1 ZINC000657267918 1186318768 /nfs/dbraw/zinc/31/87/68/1186318768.db2.gz KBOPGNQIKFGRNQ-UHFFFAOYSA-N 0 0 384.436 0.545 10 0 GCAERN COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[C@H](OC)C2)cc1 ZINC000472101270 1186351243 /nfs/dbraw/zinc/35/12/43/1186351243.db2.gz CFLPMMXCNLDHOW-GJZGRUSLSA-N 0 0 385.486 0.978 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC3(CCOCC3)[C@@H]2C)CC1 ZINC000363782594 1186351413 /nfs/dbraw/zinc/35/14/13/1186351413.db2.gz UUGATZGPUYTOQF-HNNXBMFYSA-N 0 0 380.489 0.668 10 0 GCAERN CO[C@@H]1CC[C@H](NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000472101055 1186352024 /nfs/dbraw/zinc/35/20/24/1186352024.db2.gz AAXCZSFVGIPECJ-JKSUJKDBSA-N 0 0 375.473 0.987 10 0 GCAERN Cc1cnc(CCN(C)CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)s1 ZINC000157385526 1186359924 /nfs/dbraw/zinc/35/99/24/1186359924.db2.gz GDOJPFASFJXKSQ-UHFFFAOYSA-N 0 0 379.486 0.897 10 0 GCAERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000157557559 1186364736 /nfs/dbraw/zinc/36/47/36/1186364736.db2.gz QQQZDDLLQQSJMY-SNVBAGLBSA-N 0 0 376.461 0.460 10 0 GCAERN CSCC[C@H](NC(=O)N1CC[C@H](NC(N)=O)C1)c1nnc2ccccn21 ZINC000536517905 1186371180 /nfs/dbraw/zinc/37/11/80/1186371180.db2.gz DOHIJODHHTWZCV-RYUDHWBXSA-N 0 0 377.474 0.976 10 0 GCAERN COC(=O)c1cc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc(C(=O)OC)c1 ZINC000472140866 1186379298 /nfs/dbraw/zinc/37/92/98/1186379298.db2.gz UYFHZWCVRSJFMY-AWEZNQCLSA-N 0 0 393.396 0.365 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000277487423 1186427345 /nfs/dbraw/zinc/42/73/45/1186427345.db2.gz DFHCUHZUXQEVSU-UHFFFAOYSA-N 0 0 389.433 0.853 10 0 GCAERN CN(CC(=O)N1CCN(c2c[nH]c(=O)nc2N)CC1)c1ccc(Cl)cn1 ZINC000684772837 1186438394 /nfs/dbraw/zinc/43/83/94/1186438394.db2.gz NOZLGNGWPYBDBV-UHFFFAOYSA-N 0 0 377.836 0.598 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000548714788 1186479973 /nfs/dbraw/zinc/47/99/73/1186479973.db2.gz GJJZGGLNAWJKSW-KRWDZBQOSA-N 0 0 391.453 0.328 10 0 GCAERN CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H]1CCN(C(N)=O)C1 ZINC000511097851 1186486805 /nfs/dbraw/zinc/48/68/05/1186486805.db2.gz GRGAWUIDGBYUTK-GJZGRUSLSA-N 0 0 379.436 0.919 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000548721077 1186489440 /nfs/dbraw/zinc/48/94/40/1186489440.db2.gz BIORFHWCYHLPIY-SFHVURJKSA-N 0 0 376.434 0.415 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000548721075 1186489616 /nfs/dbraw/zinc/48/96/16/1186489616.db2.gz BIORFHWCYHLPIY-GOSISDBHSA-N 0 0 376.434 0.415 10 0 GCAERN COC(=O)C(C)(C)[C@@H](NC(=O)NCCN1CCNC(=O)C1)c1ccccc1 ZINC000611586066 1186493472 /nfs/dbraw/zinc/49/34/72/1186493472.db2.gz XJBWYWQEKJDNTL-INIZCTEOSA-N 0 0 376.457 0.658 10 0 GCAERN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000536526117 1186494131 /nfs/dbraw/zinc/49/41/31/1186494131.db2.gz LLOYKINYQZDCIG-DZGCQCFKSA-N 0 0 394.497 0.573 10 0 GCAERN CC(=O)N1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)[C@@H](C)C1 ZINC000582338511 1186498741 /nfs/dbraw/zinc/49/87/41/1186498741.db2.gz BTIKGGRQUYDLDB-ZDUSSCGKSA-N 0 0 395.485 0.951 10 0 GCAERN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CC[C@@H](NC(N)=O)C3)cc12 ZINC000536527785 1186499929 /nfs/dbraw/zinc/49/99/29/1186499929.db2.gz ACPZOBCFXVJAGT-NXEZZACHSA-N 0 0 378.458 0.331 10 0 GCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000582353316 1186502023 /nfs/dbraw/zinc/50/20/23/1186502023.db2.gz GWFHJYOJPOIFHE-KGLIPLIRSA-N 0 0 383.470 0.940 10 0 GCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000582353318 1186502111 /nfs/dbraw/zinc/50/21/11/1186502111.db2.gz GWFHJYOJPOIFHE-ZIAGYGMSSA-N 0 0 383.470 0.940 10 0 GCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000582353315 1186502120 /nfs/dbraw/zinc/50/21/20/1186502120.db2.gz GWFHJYOJPOIFHE-KBPBESRZSA-N 0 0 383.470 0.940 10 0 GCAERN COCCN1CCN(C(=O)C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1 ZINC000559884954 1186502685 /nfs/dbraw/zinc/50/26/85/1186502685.db2.gz CECWRGPRCYTOHS-UHFFFAOYSA-N 0 0 385.468 0.338 10 0 GCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(OC)ccc2C(=O)OC)C1 ZINC000611600369 1186524044 /nfs/dbraw/zinc/52/40/44/1186524044.db2.gz BRCPNDAQABGNNO-GFCCVEGCSA-N 0 0 391.424 0.938 10 0 GCAERN CCOC(=O)c1ccccc1NC(=O)C(=O)NCCCN1CCCS1(=O)=O ZINC000611601090 1186525167 /nfs/dbraw/zinc/52/51/67/1186525167.db2.gz RSNFCGSEOWIJJY-UHFFFAOYSA-N 0 0 397.453 0.344 10 0 GCAERN NS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)cn1 ZINC000684878050 1186536546 /nfs/dbraw/zinc/53/65/46/1186536546.db2.gz IXJLINGJXXYXRY-CYBMUJFWSA-N 0 0 392.462 0.883 10 0 GCAERN CN(CCO)S(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)c2ccccc2)cc1 ZINC000684880262 1186537443 /nfs/dbraw/zinc/53/74/43/1186537443.db2.gz CXMGIEMLHBVPBE-KRWDZBQOSA-N 0 0 392.477 0.805 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(F)c2C(=O)OCC)C1 ZINC000611609903 1186540809 /nfs/dbraw/zinc/54/08/09/1186540809.db2.gz DTJYEPUEBHJLST-NSHDSACASA-N 0 0 394.403 0.861 10 0 GCAERN Cn1nccc1[C@H]1CCCCN1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000684891308 1186548311 /nfs/dbraw/zinc/54/83/11/1186548311.db2.gz UOGIXZRCXQRQPV-MRXNPFEDSA-N 0 0 398.533 0.234 10 0 GCAERN C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1COc2ccccc21 ZINC000152619745 1186554203 /nfs/dbraw/zinc/55/42/03/1186554203.db2.gz HEERLOVWLOYHKR-YPMHNXCESA-N 0 0 383.408 0.115 10 0 GCAERN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N(C)Cc1nnnn1C ZINC000467112656 1186564881 /nfs/dbraw/zinc/56/48/81/1186564881.db2.gz ZZXINZGQVLUDQQ-UHFFFAOYSA-N 0 0 389.416 0.355 10 0 GCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000066866030 1186565428 /nfs/dbraw/zinc/56/54/28/1186565428.db2.gz WXLXZQZPAXLJNH-OAHLLOKOSA-N 0 0 378.517 0.836 10 0 GCAERN CC(=O)N1CCN(Cc2ccccc2NC(=O)N[C@H]2CCC(=O)NC2=O)CC1 ZINC000548742671 1186566699 /nfs/dbraw/zinc/56/66/99/1186566699.db2.gz JCAATPQZYQFJJH-INIZCTEOSA-N 0 0 387.440 0.277 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CCN(CC(F)(F)F)CC1 ZINC000582571086 1186572046 /nfs/dbraw/zinc/57/20/46/1186572046.db2.gz WDUZFRMTVNDGIZ-QWRGUYRKSA-N 0 0 396.410 0.769 10 0 GCAERN COC[C@H](NC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C)c1ccccc1 ZINC000582682096 1186607306 /nfs/dbraw/zinc/60/73/06/1186607306.db2.gz FUKBYQQAHMDTLV-WBVHZDCISA-N 0 0 391.468 0.586 10 0 GCAERN CO[C@H](C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1)c1cnn(C)c1 ZINC000684982673 1186613904 /nfs/dbraw/zinc/61/39/04/1186613904.db2.gz DQLNKBZFBIEFJH-INIZCTEOSA-N 0 0 393.469 0.104 10 0 GCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000153106860 1186623869 /nfs/dbraw/zinc/62/38/69/1186623869.db2.gz GICAHZHUUQWAJZ-LBPRGKRZSA-N 0 0 383.383 0.619 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3ccccc3=O)cc2F)CC1 ZINC000657539446 1186624031 /nfs/dbraw/zinc/62/40/31/1186624031.db2.gz SLQLFWMUBSZIBB-UHFFFAOYSA-N 0 0 386.383 0.606 10 0 GCAERN Cn1cc(/C=C\C(=O)Nc2cc(F)cc(N3CCOCC3)c2)c(=O)n(C)c1=O ZINC000255549394 1186684043 /nfs/dbraw/zinc/68/40/43/1186684043.db2.gz DTSBRAGZFODOMT-ARJAWSKDSA-N 0 0 388.399 0.712 10 0 GCAERN Cn1cc(OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cn1 ZINC000548776589 1186707182 /nfs/dbraw/zinc/70/71/82/1186707182.db2.gz KYWWUWQUVSVJRH-UHFFFAOYSA-N 0 0 378.454 0.473 10 0 GCAERN CCOC(=O)c1cnc(N2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)s1 ZINC000582864222 1186716185 /nfs/dbraw/zinc/71/61/85/1186716185.db2.gz NOOQZBHMQNHRSC-UHFFFAOYSA-N 0 0 380.470 0.837 10 0 GCAERN Cn1cc(N2CCC[C@H](NC(=O)CCn3[nH]c(=O)c4ccccc4c3=O)C2)cn1 ZINC000154272185 1186786674 /nfs/dbraw/zinc/78/66/74/1186786674.db2.gz RRMNTARWBCRNFM-AWEZNQCLSA-N 0 0 396.451 0.599 10 0 GCAERN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458423472 1186792724 /nfs/dbraw/zinc/79/27/24/1186792724.db2.gz ATWLSFXYPBQPAO-SJLPKXTDSA-N 0 0 387.488 0.149 10 0 GCAERN O=C(NCCN1CCCS1(=O)=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000154595407 1186795460 /nfs/dbraw/zinc/79/54/60/1186795460.db2.gz HWKXNUKKTSKHDM-LBPRGKRZSA-N 0 0 388.440 0.878 10 0 GCAERN O=C(NCCN1CCCS1(=O)=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000154595524 1186795944 /nfs/dbraw/zinc/79/59/44/1186795944.db2.gz HWKXNUKKTSKHDM-GFCCVEGCSA-N 0 0 388.440 0.878 10 0 GCAERN Cn1ncc2c1ncn(CC(=O)N1CCN(Cc3cccc(F)c3)C(=O)C1)c2=O ZINC000150860325 1186810398 /nfs/dbraw/zinc/81/03/98/1186810398.db2.gz YVBRTDFYLIFIOA-UHFFFAOYSA-N 0 0 398.398 0.140 10 0 GCAERN Cn1c(=O)c2ccc(C(=O)Nc3c[nH]nc3-c3ccccn3)nc2n(C)c1=O ZINC000155419170 1186816555 /nfs/dbraw/zinc/81/65/55/1186816555.db2.gz BGJGZLLAUNHJKA-UHFFFAOYSA-N 0 0 377.364 0.670 10 0 GCAERN Cc1cc(-c2nnc(SCC(=O)NCCN3CCc4ccccc43)n2N)n[nH]1 ZINC000125580218 1186817708 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GCAERN CCCS(=O)(=O)Nc1cccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000473698203 1195442880 /nfs/dbraw/zinc/44/28/80/1195442880.db2.gz RINXLYNIDRSKIH-OAHLLOKOSA-N 0 0 398.485 0.943 10 0 GCAERN O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)N[C@@H]1CCCN(CCO)C1=O ZINC000473700346 1195443711 /nfs/dbraw/zinc/44/37/11/1195443711.db2.gz WVCMHDDGFXXETB-OAHLLOKOSA-N 0 0 396.469 0.232 10 0 GCAERN CN(c1ccccc1NC(=O)N[C@@H]1CCCN(CCO)C1=O)S(C)(=O)=O ZINC000473700810 1195443721 /nfs/dbraw/zinc/44/37/21/1195443721.db2.gz XAHFDJSOSFUGOY-CYBMUJFWSA-N 0 0 384.458 0.187 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](COC)c2ccc(C)o2)c1 ZINC000473697075 1195444226 /nfs/dbraw/zinc/44/42/26/1195444226.db2.gz HZDLDGXLZADUND-CQSZACIVSA-N 0 0 395.437 0.939 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](COC)c2ccco2)c1 ZINC000473702486 1195445945 /nfs/dbraw/zinc/44/59/45/1195445945.db2.gz SSCPVLYGIWERGK-CYBMUJFWSA-N 0 0 381.410 0.630 10 0 GCAERN COc1cc(C(=O)N(C)C)ccc1NC(=O)N[C@H]1CCCN(CCO)C1=O ZINC000473716616 1195449453 /nfs/dbraw/zinc/44/94/53/1195449453.db2.gz VNBUQRMHTGCOBD-AWEZNQCLSA-N 0 0 378.429 0.502 10 0 GCAERN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N(C)Cc2cc(C)on2)cc1 ZINC000550169170 1195452818 /nfs/dbraw/zinc/45/28/18/1195452818.db2.gz LMLLQFGNYDINKZ-LBPRGKRZSA-N 0 0 394.453 0.727 10 0 GCAERN COC(=O)COc1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1Cl ZINC000473742449 1195453645 /nfs/dbraw/zinc/45/36/45/1195453645.db2.gz KCWDFOTYMSDQHV-ZDUSSCGKSA-N 0 0 399.831 0.997 10 0 GCAERN Cc1noc(CN2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)n1 ZINC000101670271 1195453957 /nfs/dbraw/zinc/45/39/57/1195453957.db2.gz IHDYLJUCFMVIIN-UHFFFAOYSA-N 0 0 379.367 0.730 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000550185752 1195457796 /nfs/dbraw/zinc/45/77/96/1195457796.db2.gz XLUKIWKVFDIDJC-LBPRGKRZSA-N 0 0 399.842 0.789 10 0 GCAERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCc2nnc3ccccn32)C1 ZINC000550195245 1195458532 /nfs/dbraw/zinc/45/85/32/1195458532.db2.gz PKAVMCVADZWNGM-AWEZNQCLSA-N 0 0 386.456 0.356 10 0 GCAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000329903159 1195463824 /nfs/dbraw/zinc/46/38/24/1195463824.db2.gz PZGUNMDULXPIRV-AWEZNQCLSA-N 0 0 390.465 0.423 10 0 GCAERN COc1ccc([C@@H](NC(=O)C(=O)N(C)CCOCCO)c2nccn2C)cc1 ZINC000550237303 1195466534 /nfs/dbraw/zinc/46/65/34/1195466534.db2.gz KPTROCUFWRKJDA-MRXNPFEDSA-N 0 0 390.440 0.102 10 0 GCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)C1 ZINC000550238819 1195466604 /nfs/dbraw/zinc/46/66/04/1195466604.db2.gz DBPJLHVHIPTIFF-ARFHVFGLSA-N 0 0 379.457 0.761 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCCOc2ccccc2)CC1 ZINC000550244253 1195468804 /nfs/dbraw/zinc/46/88/04/1195468804.db2.gz ZSAUHXSJKHVQNJ-UHFFFAOYSA-N 0 0 391.468 0.668 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 ZINC000473813737 1195468882 /nfs/dbraw/zinc/46/88/82/1195468882.db2.gz VJSIJQKVLDFUSI-ZFWWWQNUSA-N 0 0 387.440 0.817 10 0 GCAERN COC(=O)c1ccc(CCNC(=O)N2CCN3CCOC[C@H]3C2)c(OC)c1 ZINC000458854487 1195469295 /nfs/dbraw/zinc/46/92/95/1195469295.db2.gz ROUXBOTZJNHSDM-MRXNPFEDSA-N 0 0 377.441 0.750 10 0 GCAERN O=C(NCCCN1CCOCC1)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000550270323 1195473752 /nfs/dbraw/zinc/47/37/52/1195473752.db2.gz ULRXGPZCQPQFIP-GOSISDBHSA-N 0 0 391.468 0.131 10 0 GCAERN CCOC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C1 ZINC000507046645 1195488423 /nfs/dbraw/zinc/48/84/23/1195488423.db2.gz URSAXZCBABZQGU-CYBMUJFWSA-N 0 0 383.470 0.808 10 0 GCAERN O=C(NCc1ccnc(N2CCCCC2)c1)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000550279327 1195490664 /nfs/dbraw/zinc/49/06/64/1195490664.db2.gz HQBZRTFVRXDBLH-NRFANRHFSA-N 0 0 399.495 0.817 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@@H](C)c2cn(C)nc2C)CC1 ZINC000519591489 1195498543 /nfs/dbraw/zinc/49/85/43/1195498543.db2.gz ORVXEQNTUNYIOY-LBPRGKRZSA-N 0 0 379.461 0.002 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N[C@H](C)c2cn(C)nc2C)CC1 ZINC000519591479 1195498562 /nfs/dbraw/zinc/49/85/62/1195498562.db2.gz ORVXEQNTUNYIOY-GFCCVEGCSA-N 0 0 379.461 0.002 10 0 GCAERN COc1cccc2c1CCN(C(=O)CNS(=O)(=O)CCOC(C)C)CC2 ZINC000366748653 1195504074 /nfs/dbraw/zinc/50/40/74/1195504074.db2.gz XXHFLPDUUPRCHM-UHFFFAOYSA-N 0 0 384.498 0.967 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC000487379836 1195524890 /nfs/dbraw/zinc/52/48/90/1195524890.db2.gz TUKBEGDHQHCBDH-RYUDHWBXSA-N 0 0 399.469 0.057 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000427494954 1195544050 /nfs/dbraw/zinc/54/40/50/1195544050.db2.gz AKJYWAGCUKVSIR-AWEZNQCLSA-N 0 0 397.497 0.083 10 0 GCAERN O=C(NCCn1cncn1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC000507692020 1195547853 /nfs/dbraw/zinc/54/78/53/1195547853.db2.gz JBAGYQLVMBCIHF-UHFFFAOYSA-N 0 0 378.389 0.976 10 0 GCAERN O=C(NCCc1ccn(-c2ccccc2)n1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000519658774 1195560382 /nfs/dbraw/zinc/56/03/82/1195560382.db2.gz JTAVAGFOPILMRK-OAQYLSRUSA-N 0 0 395.463 0.660 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)nn2C2CCOCC2)[C@H](C)C1 ZINC000440562713 1195562297 /nfs/dbraw/zinc/56/22/97/1195562297.db2.gz DRQYMOBUZYKWDZ-CYBMUJFWSA-N 0 0 377.445 0.561 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)[C@H](C)C1 ZINC000440567403 1195565039 /nfs/dbraw/zinc/56/50/39/1195565039.db2.gz USAOEERWJKMHNV-GFCCVEGCSA-N 0 0 381.454 0.249 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)[C@@H](C)C1 ZINC000440576961 1195565336 /nfs/dbraw/zinc/56/53/36/1195565336.db2.gz KEZHKABCDVWNKM-AWEZNQCLSA-N 0 0 397.435 0.309 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)[C@H](C)C1 ZINC000440576963 1195565542 /nfs/dbraw/zinc/56/55/42/1195565542.db2.gz KEZHKABCDVWNKM-CQSZACIVSA-N 0 0 397.435 0.309 10 0 GCAERN CCc1cnccc1CNC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000519755722 1195569278 /nfs/dbraw/zinc/56/92/78/1195569278.db2.gz VTTZGSSZZSIDGP-UHFFFAOYSA-N 0 0 383.452 0.808 10 0 GCAERN CCN(C(=O)[C@@H]1COCCO1)c1ccnc(CN2CCN(C(C)=O)CC2)c1 ZINC000440717330 1195579231 /nfs/dbraw/zinc/57/92/31/1195579231.db2.gz SGKJNHVTUAGGKL-SFHVURJKSA-N 0 0 376.457 0.514 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cccnc3OC(C)C)CC2)[nH]1 ZINC000440753173 1195580636 /nfs/dbraw/zinc/58/06/36/1195580636.db2.gz GZDVHUFNSGCWAO-UHFFFAOYSA-N 0 0 387.444 0.578 10 0 GCAERN COc1c(F)cc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)cc1F ZINC000440752851 1195580662 /nfs/dbraw/zinc/58/06/62/1195580662.db2.gz GDJKZKPORJLBSK-UHFFFAOYSA-N 0 0 394.382 0.683 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCCO4)CC2)[nH]1 ZINC000440756039 1195580907 /nfs/dbraw/zinc/58/09/07/1195580907.db2.gz UULOUNVPRXHVNP-UHFFFAOYSA-N 0 0 384.440 0.721 10 0 GCAERN CC(C)N1C(=O)C(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1=O ZINC000440768179 1195581111 /nfs/dbraw/zinc/58/11/11/1195581111.db2.gz BFIOSNJQTIGCGG-UHFFFAOYSA-N 0 0 385.373 0.367 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)ncn4C)CC2)[nH]1 ZINC000440763251 1195581792 /nfs/dbraw/zinc/58/17/92/1195581792.db2.gz RJRCBIGCMSOIPZ-UHFFFAOYSA-N 0 0 382.428 0.283 10 0 GCAERN COC(=O)[C@H]1CCCN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)C1 ZINC000440760152 1195581872 /nfs/dbraw/zinc/58/18/72/1195581872.db2.gz CMCLUEPRYKBHHP-ZDUSSCGKSA-N 0 0 398.427 0.276 10 0 GCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)c1 ZINC000440759408 1195581962 /nfs/dbraw/zinc/58/19/62/1195581962.db2.gz XFZKUSYDWNDJBQ-UHFFFAOYSA-N 0 0 399.455 0.379 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cnn(CC(C)C)c3C)CC2)[nH]1 ZINC000440765964 1195582754 /nfs/dbraw/zinc/58/27/54/1195582754.db2.gz XGRPBZRKZPLXEL-UHFFFAOYSA-N 0 0 388.476 0.557 10 0 GCAERN CCO[C@H]1C[C@](NC(=O)CCCN2C(=O)CN(C)C2=O)(C(=O)OC)C1(C)C ZINC000440862073 1195585872 /nfs/dbraw/zinc/58/58/72/1195585872.db2.gz UCILUXQVKSYVEH-SGTLLEGYSA-N 0 0 383.445 0.524 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2nccnc2C)CC1 ZINC000441108810 1195603925 /nfs/dbraw/zinc/60/39/25/1195603925.db2.gz FJNTUXZPZIYMHJ-ZIAGYGMSSA-N 0 0 392.460 0.073 10 0 GCAERN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N(C)CCCO ZINC000441253677 1195616117 /nfs/dbraw/zinc/61/61/17/1195616117.db2.gz BFUINFZNPTWGQR-UHFFFAOYSA-N 0 0 387.458 0.562 10 0 GCAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@H](CC)CN1C(C)=O ZINC000441257920 1195616882 /nfs/dbraw/zinc/61/68/82/1195616882.db2.gz PPBZTXWUAVEJMB-ZIAGYGMSSA-N 0 0 378.477 1.220 10 0 GCAERN O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)c1ccc2c(c1)CCC2 ZINC000520317701 1195620835 /nfs/dbraw/zinc/62/08/35/1195620835.db2.gz IRRZMCVUFIHGDI-KRWDZBQOSA-N 0 0 394.493 0.963 10 0 GCAERN CSc1cc2c(cc1NC(=O)C(=O)N1CC(n3ccnn3)C1)OCCO2 ZINC000441294718 1195620907 /nfs/dbraw/zinc/62/09/07/1195620907.db2.gz ZHOKXGULGOGQDP-UHFFFAOYSA-N 0 0 375.410 0.793 10 0 GCAERN O=C(CNC(=O)c1ccc(-c2ccccn2)[nH]c1=O)NCCN1CCOCC1 ZINC000520365422 1195627459 /nfs/dbraw/zinc/62/74/59/1195627459.db2.gz LWKGQLWPUWFPSW-UHFFFAOYSA-N 0 0 385.424 0.027 10 0 GCAERN COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000025787721 1195627783 /nfs/dbraw/zinc/62/77/83/1195627783.db2.gz IWBUTBPYMSJXSG-SNVBAGLBSA-N 0 0 376.438 0.337 10 0 GCAERN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)N[C@@H]2CCCN(C)C2=O)C1 ZINC000441403702 1195631687 /nfs/dbraw/zinc/63/16/87/1195631687.db2.gz LKSFZRKAXWVBKR-UONOGXRCSA-N 0 0 382.461 0.050 10 0 GCAERN Cn1c2ncn(CC(=O)NCCCCOCc3ccccc3)c2c(=O)n(C)c1=O ZINC000050423106 1195633573 /nfs/dbraw/zinc/63/35/73/1195633573.db2.gz QJTBKAFCNHSICS-UHFFFAOYSA-N 0 0 399.451 0.547 10 0 GCAERN Cn1cnc2c1c(=O)n(CC(=O)NCCCCOCc1ccccc1)c(=O)n2C ZINC000050423687 1195634359 /nfs/dbraw/zinc/63/43/59/1195634359.db2.gz PCKDLPLVPWWGPD-UHFFFAOYSA-N 0 0 399.451 0.547 10 0 GCAERN Cc1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000112544154 1195636668 /nfs/dbraw/zinc/63/66/68/1195636668.db2.gz KXZKBMAGYYTLAZ-CYBMUJFWSA-N 0 0 377.466 0.894 10 0 GCAERN Cc1csc(=O)n1CCC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000112679804 1195640230 /nfs/dbraw/zinc/64/02/30/1195640230.db2.gz LOZSJXPFRVUOQI-UHFFFAOYSA-N 0 0 380.514 0.669 10 0 GCAERN CCOC(=O)C[C@H](C)CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000536273217 1195641198 /nfs/dbraw/zinc/64/11/98/1195641198.db2.gz YPBVJWVSJFOZHK-HNNXBMFYSA-N 0 0 382.505 0.819 10 0 GCAERN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N(CC(N)=O)CC(N)=O ZINC000113167849 1195648774 /nfs/dbraw/zinc/64/87/74/1195648774.db2.gz XXIIMGPZSOLGNZ-UHFFFAOYSA-N 0 0 391.859 0.793 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@@H](OC)c2ccccc2)CC1 ZINC000550373646 1195649365 /nfs/dbraw/zinc/64/93/65/1195649365.db2.gz BOQCSVQMRPIYSL-MRXNPFEDSA-N 0 0 391.468 0.586 10 0 GCAERN CC(C)C(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000051135564 1195652126 /nfs/dbraw/zinc/65/21/26/1195652126.db2.gz KAAHJWNHPJTCFP-UHFFFAOYSA-N 0 0 394.497 0.802 10 0 GCAERN C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000051181187 1195652897 /nfs/dbraw/zinc/65/28/97/1195652897.db2.gz HPEAWNLUSFXDOD-QGZVFWFLSA-N 0 0 399.539 0.450 10 0 GCAERN O=C(NCc1c(Cl)cccc1-n1ccnc1)NC[C@H](O)Cn1ccnn1 ZINC000458890495 1195656372 /nfs/dbraw/zinc/65/63/72/1195656372.db2.gz UGZZIIYDNVSQAA-LBPRGKRZSA-N 0 0 375.820 0.978 10 0 GCAERN Cc1cc(N2CCN(C3CC3)C(=O)C2)nc([C@H](C)N2CCN(C3CC3)C(=O)C2)n1 ZINC000328656220 1195658184 /nfs/dbraw/zinc/65/81/84/1195658184.db2.gz NNPIWEJQWRMBMR-HNNXBMFYSA-N 0 0 398.511 0.964 10 0 GCAERN Cc1cc2cn[nH]c2c(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000328726867 1195664812 /nfs/dbraw/zinc/66/48/12/1195664812.db2.gz ZXPZWQYMLQKSMM-UHFFFAOYSA-N 0 0 393.469 0.206 10 0 GCAERN CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000328805198 1195665371 /nfs/dbraw/zinc/66/53/71/1195665371.db2.gz KOAPPHUIQBFYGY-OAHLLOKOSA-N 0 0 392.485 0.899 10 0 GCAERN Cc1c(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cnn1CCO[C@@H]1CCCCO1 ZINC000328894409 1195675119 /nfs/dbraw/zinc/67/51/19/1195675119.db2.gz VQLXZMJPQQDZOJ-XJKSGUPXSA-N 0 0 385.486 0.994 10 0 GCAERN COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000328911704 1195679749 /nfs/dbraw/zinc/67/97/49/1195679749.db2.gz OIZFJMHDHYOIFI-INIZCTEOSA-N 0 0 381.498 0.985 10 0 GCAERN Cc1cnn(CCN2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c1 ZINC000328927774 1195680961 /nfs/dbraw/zinc/68/09/61/1195680961.db2.gz XHZZZWHYEKBEIQ-UHFFFAOYSA-N 0 0 390.469 0.780 10 0 GCAERN O=C1C[C@H](N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C(=O)N1CC(F)(F)F ZINC000520444930 1195726717 /nfs/dbraw/zinc/72/67/17/1195726717.db2.gz XFRMDQVNWZQVJK-JQWIXIFHSA-N 0 0 397.419 0.470 10 0 GCAERN COc1cc(OC)c(C[C@@H](C)NC(=O)NC[C@H](O)Cn2ccnn2)c(OC)c1 ZINC000458971239 1195739444 /nfs/dbraw/zinc/73/94/44/1195739444.db2.gz TZONIVBUDILGGT-OLZOCXBDSA-N 0 0 393.444 0.595 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)CCN1CCO ZINC000190036799 1195755966 /nfs/dbraw/zinc/75/59/66/1195755966.db2.gz XMGPYYXHZPNLTA-CYBMUJFWSA-N 0 0 385.468 0.914 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)n(-c2ccc(F)cc2)n1 ZINC000190030489 1195756086 /nfs/dbraw/zinc/75/60/86/1195756086.db2.gz IGZQDOICFBNIMG-CQSZACIVSA-N 0 0 389.431 0.783 10 0 GCAERN O=C(NCCOCC1CCC1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000579421542 1195760176 /nfs/dbraw/zinc/76/01/76/1195760176.db2.gz PZDIPIQDGDLAIC-UHFFFAOYSA-N 0 0 388.424 0.610 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(OC)ccc1OC ZINC000487392087 1195766642 /nfs/dbraw/zinc/76/66/42/1195766642.db2.gz HRXJQECIBHIXIC-QWRGUYRKSA-N 0 0 388.442 0.438 10 0 GCAERN CCC[C@H](C)NS(=O)(=O)c1ccc(N[C@H]2CCCN(CCO)C2=O)nc1 ZINC000509615071 1195771121 /nfs/dbraw/zinc/77/11/21/1195771121.db2.gz CSZADSOCUUYVOI-ZFWWWQNUSA-N 0 0 384.502 0.944 10 0 GCAERN CCC[C@H](C)NS(=O)(=O)c1ccc(N[C@@H]2CCCN(CCO)C2=O)nc1 ZINC000509615065 1195771208 /nfs/dbraw/zinc/77/12/08/1195771208.db2.gz CSZADSOCUUYVOI-DZGCQCFKSA-N 0 0 384.502 0.944 10 0 GCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000441511210 1195773635 /nfs/dbraw/zinc/77/36/35/1195773635.db2.gz FABDQTFABKUPSH-CQSZACIVSA-N 0 0 386.518 0.643 10 0 GCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)NCCOCCS(N)(=O)=O)CC2 ZINC000665104331 1195779245 /nfs/dbraw/zinc/77/92/45/1195779245.db2.gz RBGPEOVFNRDOPH-UHFFFAOYSA-N 0 0 383.470 0.305 10 0 GCAERN C[C@H]1CCc2nc(NC(=O)C(=O)N3CC[C@]4(C3)NC(=O)N(C)C4=O)sc2C1 ZINC000507772831 1195779350 /nfs/dbraw/zinc/77/93/50/1195779350.db2.gz HYKZAASEHWYHRK-HUTHGQBESA-N 0 0 391.453 0.359 10 0 GCAERN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)N[C@@H]1CC[S@](=O)C1 ZINC000332938834 1195782574 /nfs/dbraw/zinc/78/25/74/1195782574.db2.gz JFMMQZPLMGJFLK-DWCLXAADSA-N 0 0 375.450 0.099 10 0 GCAERN Cc1nc(C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c(=O)[nH]c1C ZINC000152369051 1195798529 /nfs/dbraw/zinc/79/85/29/1195798529.db2.gz SYENENCDLMFINZ-CQSZACIVSA-N 0 0 375.473 0.592 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)COC3)CC1 ZINC000441633053 1195802855 /nfs/dbraw/zinc/80/28/55/1195802855.db2.gz IBDHJFAAFYFLBV-UHFFFAOYSA-N 0 0 375.425 0.751 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000441650569 1195807480 /nfs/dbraw/zinc/80/74/80/1195807480.db2.gz VIQUJUAPAOHCOM-UHFFFAOYSA-N 0 0 399.451 0.907 10 0 GCAERN CCn1nc(NC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)cc1C1CC1 ZINC000441647418 1195808544 /nfs/dbraw/zinc/80/85/44/1195808544.db2.gz UDDVSVBDZSMYBD-UHFFFAOYSA-N 0 0 391.472 0.815 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cccnc2OC(C)C)CC1 ZINC000441662353 1195813221 /nfs/dbraw/zinc/81/32/21/1195813221.db2.gz MPCBJRZCEPRKRS-UHFFFAOYSA-N 0 0 392.456 0.903 10 0 GCAERN Cc1ncc(CS(=O)(=O)CC(=O)N(CCC(N)=O)Cc2ccccc2)cn1 ZINC000507802339 1195828113 /nfs/dbraw/zinc/82/81/13/1195828113.db2.gz BUSCSLNTPIRCPR-UHFFFAOYSA-N 0 0 390.465 0.604 10 0 GCAERN Cn1c(=O)c2cc(NC(=O)c3ccc(-n4cncn4)cc3)cnc2n(C)c1=O ZINC000248071999 1195828166 /nfs/dbraw/zinc/82/81/66/1195828166.db2.gz XUTJIHJTDRYSHG-UHFFFAOYSA-N 0 0 377.364 0.465 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000487397965 1195829880 /nfs/dbraw/zinc/82/98/80/1195829880.db2.gz VKDWWSQXYQNGTD-QWRGUYRKSA-N 0 0 386.426 0.208 10 0 GCAERN Cc1ncc(CS(=O)(=O)CC(=O)NC[C@@H]2COc3ccccc3O2)cn1 ZINC000507802888 1195830140 /nfs/dbraw/zinc/83/01/40/1195830140.db2.gz FKFYTTLXULWNEU-CQSZACIVSA-N 0 0 377.422 0.656 10 0 GCAERN CC[NH+]1CCN(c2ccccc2NC(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000248073602 1195831396 /nfs/dbraw/zinc/83/13/96/1195831396.db2.gz YCEAFGAAKUWSRD-UHFFFAOYSA-N 0 0 395.467 0.911 10 0 GCAERN CCNS(=O)(=O)c1cccc(CNC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000459188104 1195840459 /nfs/dbraw/zinc/84/04/59/1195840459.db2.gz HAWZANWOIDKHDP-HNNXBMFYSA-N 0 0 382.486 0.211 10 0 GCAERN Cc1cc(N2CCC[C@@H](N3CCN(c4ncnc5n[nH]cc54)CC3)C2=O)n(C)n1 ZINC000507916404 1195872042 /nfs/dbraw/zinc/87/20/42/1195872042.db2.gz BEOZDIOZQUSLGY-OAHLLOKOSA-N 0 0 395.471 0.712 10 0 GCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000428186218 1195917450 /nfs/dbraw/zinc/91/74/50/1195917450.db2.gz VOQINZPXPNWKGC-CHWSQXEVSA-N 0 0 384.506 0.789 10 0 GCAERN CCOc1ccccc1CN1CCN(C(=O)CN2CCOCC2=O)[C@H](C)C1 ZINC000508330448 1195917800 /nfs/dbraw/zinc/91/78/00/1195917800.db2.gz FRDBQNAUOWUXFE-MRXNPFEDSA-N 0 0 375.469 0.977 10 0 GCAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000441829981 1195919969 /nfs/dbraw/zinc/91/99/69/1195919969.db2.gz XRCAVMVLTCMQLY-LLVKDONJSA-N 0 0 397.375 0.305 10 0 GCAERN CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3[n-]c(CC(=O)OC)cc3=O)cc2)C1 ZINC000520808662 1195923866 /nfs/dbraw/zinc/92/38/66/1195923866.db2.gz PFFWMPJFQOLAGL-CQSZACIVSA-N 0 0 386.452 0.953 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCCCn2ccnc2C)c1 ZINC000441911562 1195932368 /nfs/dbraw/zinc/93/23/68/1195932368.db2.gz QNEDNDOWCDDPAG-UHFFFAOYSA-N 0 0 393.469 0.635 10 0 GCAERN COC(=O)c1ccsc1NC(=O)C(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000441978792 1195935322 /nfs/dbraw/zinc/93/53/22/1195935322.db2.gz LMJOHGXHVMZLCN-UHFFFAOYSA-N 0 0 393.425 0.509 10 0 GCAERN CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000441982377 1195935589 /nfs/dbraw/zinc/93/55/89/1195935589.db2.gz WJNSIHZFBNUTSA-LJQANCHMSA-N 0 0 392.456 0.829 10 0 GCAERN O=S(=O)(c1cnn(C2CCOCC2)c1)N1CCCN(c2cccnn2)CC1 ZINC000441988072 1195939359 /nfs/dbraw/zinc/93/93/59/1195939359.db2.gz MUCMIXLANYRXIH-UHFFFAOYSA-N 0 0 392.485 0.926 10 0 GCAERN O=C(Nc1cccc(C(=O)NC2CC2)c1)C(=O)N1CCSC[C@H]1CCO ZINC000442054611 1195947075 /nfs/dbraw/zinc/94/70/75/1195947075.db2.gz JHRKVYRRMMJZFP-OAHLLOKOSA-N 0 0 377.466 0.844 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)OC)c1 ZINC000442048053 1195949188 /nfs/dbraw/zinc/94/91/88/1195949188.db2.gz ZDWGZNHSDNBUIF-GFCCVEGCSA-N 0 0 399.469 0.485 10 0 GCAERN COC(=O)CCOc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cc1 ZINC000442081780 1195950562 /nfs/dbraw/zinc/95/05/62/1195950562.db2.gz CSXIZUBVTRNORH-CQSZACIVSA-N 0 0 396.465 0.893 10 0 GCAERN NC(=O)CCSc1ccccc1NC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000442071145 1195951688 /nfs/dbraw/zinc/95/16/88/1195951688.db2.gz CWBYPCWMHGGSSM-LBPRGKRZSA-N 0 0 397.522 0.919 10 0 GCAERN O=C(Nc1cccc(Cn2cncn2)c1)C(=O)N1CCSC[C@H]1CCO ZINC000442103903 1195953350 /nfs/dbraw/zinc/95/33/50/1195953350.db2.gz ANRGMDQLJKNVIS-OAHLLOKOSA-N 0 0 375.454 0.591 10 0 GCAERN NC(=O)CCOc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000442103429 1195953363 /nfs/dbraw/zinc/95/33/63/1195953363.db2.gz QPGJRIJYCMFYBN-ZDUSSCGKSA-N 0 0 381.454 0.206 10 0 GCAERN NC(=O)CCOc1ccccc1NC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000442109394 1195954156 /nfs/dbraw/zinc/95/41/56/1195954156.db2.gz LFNYRMHLDZUXJH-LBPRGKRZSA-N 0 0 381.454 0.206 10 0 GCAERN COC(=O)COc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)c(C)c1 ZINC000442105416 1195956760 /nfs/dbraw/zinc/95/67/60/1195956760.db2.gz DFPVGGSNOZCIJA-ZDUSSCGKSA-N 0 0 396.465 0.812 10 0 GCAERN Cc1c(NC(=O)C(=O)N[C@@H](CC(N)=O)C2CCOCC2)cccc1N(C)C ZINC000442171235 1195959888 /nfs/dbraw/zinc/95/98/88/1195959888.db2.gz XKNMDEMPHWIVSM-HNNXBMFYSA-N 0 0 376.457 0.786 10 0 GCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C1 ZINC000442225646 1195963016 /nfs/dbraw/zinc/96/30/16/1195963016.db2.gz YZTFDVIQTULSLP-ZDUSSCGKSA-N 0 0 388.424 0.498 10 0 GCAERN CC(C)COc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cn1 ZINC000442254194 1195966366 /nfs/dbraw/zinc/96/63/66/1195966366.db2.gz CTOKOCHIMOGIAY-CQSZACIVSA-N 0 0 378.429 0.154 10 0 GCAERN CCOc1cc(Cl)ccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442258564 1195966905 /nfs/dbraw/zinc/96/69/05/1195966905.db2.gz KSGZHOLLRDWHGY-ZDUSSCGKSA-N 0 0 383.832 0.777 10 0 GCAERN CN(C)c1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442255524 1195966956 /nfs/dbraw/zinc/96/69/56/1195966956.db2.gz FMEIGXDRVJKAEV-GFCCVEGCSA-N 0 0 382.848 0.444 10 0 GCAERN CCOc1ccc(OC)cc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442264862 1195968110 /nfs/dbraw/zinc/96/81/10/1195968110.db2.gz DSPCSCUFQLHMKU-ZDUSSCGKSA-N 0 0 379.413 0.132 10 0 GCAERN COc1cc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)sc1S(N)(=O)=O ZINC000442265561 1195968112 /nfs/dbraw/zinc/96/81/12/1195968112.db2.gz GNWGCPRHOZMUJY-NSHDSACASA-N 0 0 395.462 0.939 10 0 GCAERN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442264873 1195968133 /nfs/dbraw/zinc/96/81/33/1195968133.db2.gz DUGVGUODCORAQQ-GFCCVEGCSA-N 0 0 383.832 0.695 10 0 GCAERN O=C(Nc1nc(-c2cccs2)cs1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442264890 1195968155 /nfs/dbraw/zinc/96/81/55/1195968155.db2.gz DWGLGDNJXCLQSS-JTQLQIEISA-N 0 0 394.478 0.910 10 0 GCAERN O=C(Nc1ccccc1N1CCCCC1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442268971 1195968927 /nfs/dbraw/zinc/96/89/27/1195968927.db2.gz JJGKPGHULXAPSL-MRXNPFEDSA-N 0 0 388.468 0.715 10 0 GCAERN COCCOc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c(C)c1 ZINC000442267936 1195969006 /nfs/dbraw/zinc/96/90/06/1195969006.db2.gz LMCCEBIROXYMHA-INIZCTEOSA-N 0 0 393.440 0.058 10 0 GCAERN O=C(Nc1ccc(-c2csnn2)cc1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442273450 1195969288 /nfs/dbraw/zinc/96/92/88/1195969288.db2.gz LUQAWCVJWLPBRB-CYBMUJFWSA-N 0 0 389.437 0.243 10 0 GCAERN O=C(Nc1ccc(OCC2CC2)cc1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442271200 1195969335 /nfs/dbraw/zinc/96/93/35/1195969335.db2.gz LRXOOEDHUSBXLP-MRXNPFEDSA-N 0 0 375.425 0.513 10 0 GCAERN O=C(Nc1ccc(Oc2cccnc2)nc1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442275566 1195969850 /nfs/dbraw/zinc/96/98/50/1195969850.db2.gz SUFMHLQTQXGYHB-OAHLLOKOSA-N 0 0 399.407 0.307 10 0 GCAERN O=C(Nc1ccc(OC(F)F)c(F)c1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442275201 1195970024 /nfs/dbraw/zinc/97/00/24/1195970024.db2.gz OIRCONAVQCLSBZ-NSHDSACASA-N 0 0 389.330 0.465 10 0 GCAERN CC(C)(C)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442278090 1195970757 /nfs/dbraw/zinc/97/07/57/1195970757.db2.gz WSUDZFOMWMYVMC-AWEZNQCLSA-N 0 0 377.441 0.902 10 0 GCAERN COc1ccc2cc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)ccc2n1 ZINC000442279831 1195971061 /nfs/dbraw/zinc/97/10/61/1195971061.db2.gz XXSKRXNTJTYFCU-HNNXBMFYSA-N 0 0 386.408 0.281 10 0 GCAERN O=C(Nc1ccc(F)cc1OCC1CC1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442282210 1195971634 /nfs/dbraw/zinc/97/16/34/1195971634.db2.gz HSWLGEIRVOLUGL-OAHLLOKOSA-N 0 0 393.415 0.653 10 0 GCAERN Cc1ccnc(-c2cccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)c2)n1 ZINC000442284164 1195971915 /nfs/dbraw/zinc/97/19/15/1195971915.db2.gz LSGXFGUGXBTGHC-MRXNPFEDSA-N 0 0 397.435 0.490 10 0 GCAERN CC[C@H](C)n1ncc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c1C1CC1 ZINC000442290451 1195972464 /nfs/dbraw/zinc/97/24/64/1195972464.db2.gz AWXOEVGAHZQKNS-JSGCOSHPSA-N 0 0 391.472 0.770 10 0 GCAERN O=C(Nc1ccc(-c2nccs2)cc1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442286950 1195972470 /nfs/dbraw/zinc/97/24/70/1195972470.db2.gz VAZNVTWWEGEIDE-CQSZACIVSA-N 0 0 388.449 0.848 10 0 GCAERN CC(=O)Nc1cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)ccc1Cl ZINC000442291197 1195972997 /nfs/dbraw/zinc/97/29/97/1195972997.db2.gz CCZHTBAXQWBKJY-CYBMUJFWSA-N 0 0 396.831 0.336 10 0 GCAERN CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000442293062 1195973451 /nfs/dbraw/zinc/97/34/51/1195973451.db2.gz HKANMPRIPPQWAC-AWEZNQCLSA-N 0 0 390.440 0.382 10 0 GCAERN O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442293509 1195973464 /nfs/dbraw/zinc/97/34/64/1195973464.db2.gz IKLJDUJUVWHLQY-CYBMUJFWSA-N 0 0 387.358 0.829 10 0 GCAERN O=C(Nc1nc(-c2ccccc2)cs1)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442302613 1195975117 /nfs/dbraw/zinc/97/51/17/1195975117.db2.gz VZKXXNNWGBVECP-CYBMUJFWSA-N 0 0 388.449 0.848 10 0 GCAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c2cccnc2c1C ZINC000442304500 1195975626 /nfs/dbraw/zinc/97/56/26/1195975626.db2.gz YQSRWDALPPBXML-HNNXBMFYSA-N 0 0 384.436 0.890 10 0 GCAERN Cc1nc(CN(C)C(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)no1 ZINC000442395553 1195982305 /nfs/dbraw/zinc/98/23/05/1195982305.db2.gz UAMZKRNLSGAWFU-UHFFFAOYSA-N 0 0 382.380 0.940 10 0 GCAERN Cc1nc(CN(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)no1 ZINC000442411775 1195984685 /nfs/dbraw/zinc/98/46/85/1195984685.db2.gz UWTVJRWXGAHNIM-UHFFFAOYSA-N 0 0 395.441 0.662 10 0 GCAERN Cc1csc(NC2CCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)CC2)n1 ZINC000442558488 1195994017 /nfs/dbraw/zinc/99/40/17/1195994017.db2.gz QNUDIDNKVCBUED-UHFFFAOYSA-N 0 0 391.457 0.175 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000521698507 1196011587 /nfs/dbraw/zinc/01/15/87/1196011587.db2.gz KYEWMJRYIVEHQV-UHFFFAOYSA-N 0 0 389.412 0.220 10 0 GCAERN COc1cccc(C[C@@H](O)C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)c1 ZINC000442977759 1196012699 /nfs/dbraw/zinc/01/26/99/1196012699.db2.gz WEQWSSJSILUSBO-QGZVFWFLSA-N 0 0 385.468 0.803 10 0 GCAERN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)(C)C(=O)N(C)C ZINC000521726968 1196014348 /nfs/dbraw/zinc/01/43/48/1196014348.db2.gz PWEGXMYQVZVTPQ-UHFFFAOYSA-N 0 0 397.497 0.613 10 0 GCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)CCC1CCCC1 ZINC000443033161 1196016616 /nfs/dbraw/zinc/01/66/16/1196016616.db2.gz DKQMWWKIDPWIRG-HACGYAERSA-N 0 0 380.489 0.348 10 0 GCAERN CCOC(=O)c1ccccc1S(=O)(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000443028718 1196016711 /nfs/dbraw/zinc/01/67/11/1196016711.db2.gz QFLDTOXLLQFWRC-HNNXBMFYSA-N 0 0 396.465 0.922 10 0 GCAERN C[C@H]1C(=O)NCCN1C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000729532827 1196018632 /nfs/dbraw/zinc/01/86/32/1196018632.db2.gz JDIVLRLHVYPBPG-LBPRGKRZSA-N 0 0 380.408 0.801 10 0 GCAERN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000521929996 1196026620 /nfs/dbraw/zinc/02/66/20/1196026620.db2.gz HQKSZEUMSXXSJE-AUUYWEPGSA-N 0 0 392.456 0.661 10 0 GCAERN CCN(C(=O)C(=O)Nc1cc(-c2cccc(OC)c2)nn1C)[C@@H]1CCNC1=O ZINC000443244089 1196030471 /nfs/dbraw/zinc/03/04/71/1196030471.db2.gz DQWRNIOXRLDBTL-OAHLLOKOSA-N 0 0 385.424 0.771 10 0 GCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000443243221 1196030573 /nfs/dbraw/zinc/03/05/73/1196030573.db2.gz FGRSRRLEUYBHAB-QMTHXVAHSA-N 0 0 382.424 0.928 10 0 GCAERN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@H](O)C(C)C ZINC000443267474 1196032756 /nfs/dbraw/zinc/03/27/56/1196032756.db2.gz AMEIEBZGQXWQOA-INIZCTEOSA-N 0 0 392.456 0.471 10 0 GCAERN COc1cc(NC(=O)C(=O)N(C)CCCO)c(C(=O)N2CCCC2)cc1OC ZINC000443260438 1196033378 /nfs/dbraw/zinc/03/33/78/1196033378.db2.gz CZOLOQWMXIJPPT-UHFFFAOYSA-N 0 0 393.440 0.719 10 0 GCAERN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)N(C)CCCO ZINC000443330740 1196038964 /nfs/dbraw/zinc/03/89/64/1196038964.db2.gz CHXCFFGRTMGDLT-UHFFFAOYSA-N 0 0 379.482 0.963 10 0 GCAERN CN(CCCO)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000443347952 1196040233 /nfs/dbraw/zinc/04/02/33/1196040233.db2.gz SZZVTLSPLOYZTO-UHFFFAOYSA-N 0 0 389.449 0.682 10 0 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10 0 GCAERN CC(=O)N[C@](C)(C(=O)N1CCC(=O)[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000280851699 1196064223 /nfs/dbraw/zinc/06/42/23/1196064223.db2.gz RLAZADDUBHPTJC-XIKOKIGWSA-N 0 0 380.466 0.879 10 0 GCAERN CCCOc1ccc(CNC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1OC ZINC000550535361 1196078740 /nfs/dbraw/zinc/07/87/40/1196078740.db2.gz QHTBDVSNJMUJQT-MRXNPFEDSA-N 0 0 391.468 0.643 10 0 GCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000550534394 1196078984 /nfs/dbraw/zinc/07/89/84/1196078984.db2.gz JFJPTAVFKMGCFC-ROUUACIJSA-N 0 0 375.469 0.819 10 0 GCAERN CC1(C)CN(C(=O)C(=O)NCc2ccnc(-n3cccn3)c2)C[C@]2(CCOC2)O1 ZINC000550550220 1196083139 /nfs/dbraw/zinc/08/31/39/1196083139.db2.gz DFBSZVWVNJSQLF-FQEVSTJZSA-N 0 0 399.451 0.680 10 0 GCAERN CN1C(=O)C[C@H](C(=O)NCCCn2nc3n(c2=O)CCCC3)[C@@H]1c1cccnc1 ZINC000114172422 1196095489 /nfs/dbraw/zinc/09/54/89/1196095489.db2.gz XWXMFRTUDXDGEM-YJBOKZPZSA-N 0 0 398.467 0.502 10 0 GCAERN CN1C(=O)C[C@H](C(=O)NCCCn2nc3n(c2=O)CCCC3)[C@H]1c1cccnc1 ZINC000114172419 1196095601 /nfs/dbraw/zinc/09/56/01/1196095601.db2.gz XWXMFRTUDXDGEM-MAUKXSAKSA-N 0 0 398.467 0.502 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC(C(=O)NCCCOCC)CC2)C1 ZINC000474194004 1196097984 /nfs/dbraw/zinc/09/79/84/1196097984.db2.gz NJKMPXWDXFPKQX-INIZCTEOSA-N 0 0 397.520 0.755 10 0 GCAERN Cc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1C(N)=O ZINC000474201682 1196099291 /nfs/dbraw/zinc/09/92/91/1196099291.db2.gz PBUMOVFVBGALBD-HNNXBMFYSA-N 0 0 381.454 0.152 10 0 GCAERN COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000474205989 1196099933 /nfs/dbraw/zinc/09/99/33/1196099933.db2.gz AJPBLKIJKLHTOR-CQSZACIVSA-N 0 0 384.454 0.762 10 0 GCAERN CN(C)C(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000474216990 1196100381 /nfs/dbraw/zinc/10/03/81/1196100381.db2.gz YKNIHCOPUFFURX-INIZCTEOSA-N 0 0 395.481 0.447 10 0 GCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000052780279 1196106442 /nfs/dbraw/zinc/10/64/42/1196106442.db2.gz HTPITJVARAGVHF-INIZCTEOSA-N 0 0 386.496 0.499 10 0 GCAERN Cc1nc(C(=O)NCc2nnc3ccccn32)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000474338320 1196109494 /nfs/dbraw/zinc/10/94/94/1196109494.db2.gz BXYSQUAJFRDXTL-UHFFFAOYSA-N 0 0 392.305 0.685 10 0 GCAERN COc1cc2c(cc1OC)CN(CC(=O)NCc1nnnn1CC1CC1)CC2 ZINC000474673110 1196141145 /nfs/dbraw/zinc/14/11/45/1196141145.db2.gz NPEKVZACAZMINL-UHFFFAOYSA-N 0 0 386.456 0.775 10 0 GCAERN Cn1cc([C@@H]2C[S@](=O)CCN2CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cn1 ZINC000329208077 1196176360 /nfs/dbraw/zinc/17/63/60/1196176360.db2.gz FLTJUULRZPBTGD-OKVDXRNQSA-N 0 0 380.514 0.696 10 0 GCAERN O=C(c1ccccc1S(=O)(=O)N1CCOCC1)N1CCN(C2CC2)CC1 ZINC000329218345 1196176846 /nfs/dbraw/zinc/17/68/46/1196176846.db2.gz RPHGOVLIMSIAJK-UHFFFAOYSA-N 0 0 379.482 0.628 10 0 GCAERN CC1CCN(S(=O)(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000329214483 1196177074 /nfs/dbraw/zinc/17/70/74/1196177074.db2.gz LETZRKKMTMDDLS-UHFFFAOYSA-N 0 0 386.562 0.839 10 0 GCAERN 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ZINC000452218365 1197046090 /nfs/dbraw/zinc/04/60/90/1197046090.db2.gz BKXWEWXIRQUTIB-XQLPTFJDSA-N 0 0 392.452 0.588 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC12COC2 ZINC000452233387 1197046868 /nfs/dbraw/zinc/04/68/68/1197046868.db2.gz ZGNGSBKNFFKQSQ-AWEZNQCLSA-N 0 0 388.486 0.086 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CC12COC2 ZINC000452233400 1197047014 /nfs/dbraw/zinc/04/70/14/1197047014.db2.gz ZJLQOOOCNCNKBK-CYBMUJFWSA-N 0 0 387.392 0.140 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC12COC2 ZINC000452233262 1197047021 /nfs/dbraw/zinc/04/70/21/1197047021.db2.gz YYHZETUEZRIJOT-VWYCJHECSA-N 0 0 378.347 0.482 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2)CC12COC2 ZINC000452232431 1197047104 /nfs/dbraw/zinc/04/71/04/1197047104.db2.gz WLXXPIHYSUCSPF-DZGCQCFKSA-N 0 0 396.465 0.392 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC12COC2 ZINC000452251710 1197047218 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CCOC(=O)[C@H]1CN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC12COC2 ZINC000452268688 1197049276 /nfs/dbraw/zinc/04/92/76/1197049276.db2.gz XFJQPKLILZJXNT-QZTJIDSGSA-N 0 0 388.464 0.926 10 0 GCAERN COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](CO)c2ccccc2)c2ccccc2O1 ZINC000531165420 1197050559 /nfs/dbraw/zinc/05/05/59/1197050559.db2.gz AVYRWBIQGXADNU-CRAIPNDOSA-N 0 0 398.415 0.846 10 0 GCAERN CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 ZINC000452543226 1197067654 /nfs/dbraw/zinc/06/76/54/1197067654.db2.gz OQILEGBFJQFIJP-ZDUSSCGKSA-N 0 0 380.474 0.645 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)CCOc2cccc(C(N)=O)c2)CC12COC2 ZINC000452611890 1197070474 /nfs/dbraw/zinc/07/04/74/1197070474.db2.gz JLFVXPLTPJNBSG-HNNXBMFYSA-N 0 0 376.409 0.593 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)CCOc2cccc(C(N)=O)c2)CC12COC2 ZINC000452611891 1197070649 /nfs/dbraw/zinc/07/06/49/1197070649.db2.gz JLFVXPLTPJNBSG-OAHLLOKOSA-N 0 0 376.409 0.593 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CS3)CC12COC2 ZINC000452609858 1197070736 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CCNC(=O)N1CC[C@H](NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)C1 ZINC000531609635 1197086661 /nfs/dbraw/zinc/08/66/61/1197086661.db2.gz PZYGXBOAWQPNID-LBPRGKRZSA-N 0 0 391.501 0.926 10 0 GCAERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)C1 ZINC000531619591 1197087241 /nfs/dbraw/zinc/08/72/41/1197087241.db2.gz XKARWBGXCTUJGF-LBPRGKRZSA-N 0 0 393.444 0.277 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)C1 ZINC000531617576 1197088165 /nfs/dbraw/zinc/08/81/65/1197088165.db2.gz UVAACDABAYVORP-AWEZNQCLSA-N 0 0 385.424 0.991 10 0 GCAERN Cc1ccc(-c2noc(CS(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C)n2)cc1 ZINC000531647886 1197090132 /nfs/dbraw/zinc/09/01/32/1197090132.db2.gz KXHCTXDRAGSUBH-GFCCVEGCSA-N 0 0 394.453 0.553 10 0 GCAERN CCN(C(=O)CN(CC(=O)N(CC)C1COC1)c1ccccc1)C1COC1 ZINC000452982139 1197092002 /nfs/dbraw/zinc/09/20/02/1197092002.db2.gz XMNDJYDCUHOVDX-UHFFFAOYSA-N 0 0 375.469 0.988 10 0 GCAERN COC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)c2ccccc2O1 ZINC000531763208 1197096394 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0 GCAERN Cn1cc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c(C2CCCCC2)n1 ZINC000453707235 1197124591 /nfs/dbraw/zinc/12/45/91/1197124591.db2.gz JHNVXAGLMVYUDV-CYBMUJFWSA-N 0 0 397.501 0.686 10 0 GCAERN CN(C)c1cc(NC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)ncn1 ZINC000453716730 1197125591 /nfs/dbraw/zinc/12/55/91/1197125591.db2.gz DOQREQABJHSKJN-HNNXBMFYSA-N 0 0 385.424 0.788 10 0 GCAERN O=C(Nc1ccc2ncnn2c1)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000453718695 1197125846 /nfs/dbraw/zinc/12/58/46/1197125846.db2.gz HDOXDJIVDBJZDG-INIZCTEOSA-N 0 0 381.392 0.974 10 0 GCAERN CCOc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000453735165 1197127010 /nfs/dbraw/zinc/12/70/10/1197127010.db2.gz ATJUYWIQIQITOX-CYBMUJFWSA-N 0 0 383.832 0.777 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C)cnc1OCC ZINC000453738206 1197127576 /nfs/dbraw/zinc/12/75/76/1197127576.db2.gz MPCRLOALPQOFHR-NWDGAFQWSA-N 0 0 394.428 0.300 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)CC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1F ZINC000532238003 1197130713 /nfs/dbraw/zinc/13/07/13/1197130713.db2.gz CCUYGKAGBFEFLE-NWDGAFQWSA-N 0 0 384.429 0.962 10 0 GCAERN CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000453751623 1197130971 /nfs/dbraw/zinc/13/09/71/1197130971.db2.gz NRGJGUTVDDEJIV-SFHVURJKSA-N 0 0 380.445 0.837 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2C)CC12COC2 ZINC000453789672 1197132695 /nfs/dbraw/zinc/13/26/95/1197132695.db2.gz AMYINUKUWLUFLK-ZDUSSCGKSA-N 0 0 389.408 0.071 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2nc(CC)c(C)s2)CC12COC2 ZINC000453790922 1197132738 /nfs/dbraw/zinc/13/27/38/1197132738.db2.gz BXXLYEWOPOPAOF-LLVKDONJSA-N 0 0 381.454 0.991 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2sc(CC)nc2C)CC12COC2 ZINC000453790757 1197132756 /nfs/dbraw/zinc/13/27/56/1197132756.db2.gz BKOAZWDBFVISCQ-NSHDSACASA-N 0 0 381.454 0.991 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)OC)cc2)CC12COC2 ZINC000453794285 1197133214 /nfs/dbraw/zinc/13/32/14/1197133214.db2.gz FHDVJDVGQLTKQJ-AWEZNQCLSA-N 0 0 390.392 0.450 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(OC)c(F)c2)CC12COC2 ZINC000453794200 1197133243 /nfs/dbraw/zinc/13/32/43/1197133243.db2.gz FDJZNSWAASGBOO-GFCCVEGCSA-N 0 0 380.372 0.811 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(C3CC3)n(CC)n2)CC12COC2 ZINC000453800691 1197137293 /nfs/dbraw/zinc/13/72/93/1197137293.db2.gz LBXWVRVHIOYRNT-CYBMUJFWSA-N 0 0 390.440 0.757 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC12COC2 ZINC000453802158 1197137333 /nfs/dbraw/zinc/13/73/33/1197137333.db2.gz MVNOUPVBFOVICA-ZDUSSCGKSA-N 0 0 390.392 0.434 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(F)F)c2)CC12COC2 ZINC000453804214 1197137939 /nfs/dbraw/zinc/13/79/39/1197137939.db2.gz PPLXVYPHXDRQDM-NSHDSACASA-N 0 0 386.355 0.125 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccnc2OC(C)C)CC12COC2 ZINC000453802407 1197138044 /nfs/dbraw/zinc/13/80/44/1197138044.db2.gz NHPSOWBWKXEVJF-ZDUSSCGKSA-N 0 0 391.424 0.845 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2OC)CC12COC2 ZINC000453803411 1197138515 /nfs/dbraw/zinc/13/85/15/1197138515.db2.gz OHNDVRCIOZWMDX-CYBMUJFWSA-N 0 0 376.409 0.980 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CCOC)CC12COC2 ZINC000453804740 1197138567 /nfs/dbraw/zinc/13/85/67/1197138567.db2.gz QFUFEXSQEPWUHR-HNNXBMFYSA-N 0 0 390.436 0.852 10 0 GCAERN CC[C@H](CNS(C)(=O)=O)NC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000453845764 1197140689 /nfs/dbraw/zinc/14/06/89/1197140689.db2.gz FSNVYUOCIKBCLC-LLVKDONJSA-N 0 0 386.474 0.889 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)n(-c2ccccc2C)n1 ZINC000453912977 1197150484 /nfs/dbraw/zinc/15/04/84/1197150484.db2.gz FHZMNPYRTNAMPG-BETUJISGSA-N 0 0 381.392 0.159 10 0 GCAERN CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000453915388 1197152464 /nfs/dbraw/zinc/15/24/64/1197152464.db2.gz JUCFTOFNYYTXIH-TXEJJXNPSA-N 0 0 387.392 0.311 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)C1 ZINC000532374702 1197156669 /nfs/dbraw/zinc/15/66/69/1197156669.db2.gz RYMNTNUWNCUEJU-DOMZBBRYSA-N 0 0 394.497 0.931 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C(C)C)[C@H](CO)C(C)C)c1 ZINC000453921301 1197174433 /nfs/dbraw/zinc/17/44/33/1197174433.db2.gz DTPOVQFSBFNYRL-CVEARBPZSA-N 0 0 399.513 0.939 10 0 GCAERN CCc1cnc(CCNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)s1 ZINC000173036432 1197175549 /nfs/dbraw/zinc/17/55/49/1197175549.db2.gz BGOOOTNBFKGBGY-AWEZNQCLSA-N 0 0 380.514 0.545 10 0 GCAERN CC[C@H](C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)N1CCCC1=O ZINC000173203662 1197176397 /nfs/dbraw/zinc/17/63/97/1197176397.db2.gz JFVTXDVAXLHKLN-QGZVFWFLSA-N 0 0 378.517 0.790 10 0 GCAERN Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)C2)cn1 ZINC000173417659 1197176837 /nfs/dbraw/zinc/17/68/37/1197176837.db2.gz AVJNJPRHVJSWHH-CQSZACIVSA-N 0 0 389.481 0.653 10 0 GCAERN O=C(Nc1ccc2c(c1F)CCNC2=O)C(=O)N[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000453922301 1197177245 /nfs/dbraw/zinc/17/72/45/1197177245.db2.gz MEIVGIXAVLZNCZ-RHSMWYFYSA-N 0 0 389.427 0.963 10 0 GCAERN O=C1COc2ccc(S(=O)(=O)Nc3ccc(Cc4nn[nH]n4)cc3)cc2N1 ZINC000532379196 1197180022 /nfs/dbraw/zinc/18/00/22/1197180022.db2.gz XPPLJJIRPRTYLW-UHFFFAOYSA-N 0 0 386.393 0.922 10 0 GCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000174009585 1197180502 /nfs/dbraw/zinc/18/05/02/1197180502.db2.gz AALKAJGXIAOQIT-PBHICJAKSA-N 0 0 391.516 0.265 10 0 GCAERN Cn1cc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)C2)cn1 ZINC000175228533 1197183862 /nfs/dbraw/zinc/18/38/62/1197183862.db2.gz CKDKBZMCNDTUPS-HNNXBMFYSA-N 0 0 394.439 0.725 10 0 GCAERN CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000175721503 1197184278 /nfs/dbraw/zinc/18/42/78/1197184278.db2.gz BOUCDCIVSCWRIR-MRXNPFEDSA-N 0 0 391.520 0.241 10 0 GCAERN CCN1CCN(CC(=O)N2CCC[C@H](CC(=O)OC(C)(C)C)C2)C(=O)C1=O ZINC000532381026 1197186844 /nfs/dbraw/zinc/18/68/44/1197186844.db2.gz PCJQLKSYIXBODX-CQSZACIVSA-N 0 0 381.473 0.648 10 0 GCAERN O=C(NCCc1cc(F)ccc1F)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000177096616 1197189309 /nfs/dbraw/zinc/18/93/09/1197189309.db2.gz SZTWTUBNUJKDHD-JSGCOSHPSA-N 0 0 386.420 0.659 10 0 GCAERN CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCCc1cccc2cccnc21 ZINC000475730805 1197194391 /nfs/dbraw/zinc/19/43/91/1197194391.db2.gz AQOJLSWSCWZUFZ-KRWDZBQOSA-N 0 0 390.509 0.907 10 0 GCAERN O=C(NCCNC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O)c1ccn[nH]1 ZINC000180942574 1197202926 /nfs/dbraw/zinc/20/29/26/1197202926.db2.gz ADGIBFWQRLZPBW-LLVKDONJSA-N 0 0 377.351 0.587 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)NCc2ccnc(-n3cccn3)c2)cn1C ZINC000181029129 1197203452 /nfs/dbraw/zinc/20/34/52/1197203452.db2.gz NUUBUIUWUWDTEK-UHFFFAOYSA-N 0 0 388.453 0.786 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCC[C@H](Cn3ccnn3)C2)cn1C ZINC000181386778 1197204285 /nfs/dbraw/zinc/20/42/85/1197204285.db2.gz WJQIEYAUEXRNFW-CYBMUJFWSA-N 0 0 380.474 0.419 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)N[C@H]2CCN(c3ncccc3F)C2)cn1C ZINC000181375249 1197204443 /nfs/dbraw/zinc/20/44/43/1197204443.db2.gz QSUATCVVKSDPMO-LBPRGKRZSA-N 0 0 395.460 0.818 10 0 GCAERN O=C(CCNS(=O)(=O)c1ccccc1)NCCc1nnc2n1CCCC2 ZINC000182096168 1197206043 /nfs/dbraw/zinc/20/60/43/1197206043.db2.gz LSYPVYRZRXYACD-UHFFFAOYSA-N 0 0 377.470 0.642 10 0 GCAERN CN(CC(=O)NCCc1nnc2n1CCCC2)S(=O)(=O)c1ccccc1 ZINC000184105743 1197210689 /nfs/dbraw/zinc/21/06/89/1197210689.db2.gz XBRIPYXSWKYDCM-UHFFFAOYSA-N 0 0 377.470 0.594 10 0 GCAERN CCN(C(=O)CN[C@H](C)c1cn(-c2ccccc2)nn1)[C@H]1CCS(=O)(=O)C1 ZINC000185483071 1197214341 /nfs/dbraw/zinc/21/43/41/1197214341.db2.gz VWHIHHBVEOJBQN-ZBFHGGJFSA-N 0 0 391.497 0.954 10 0 GCAERN CCN(C(=O)CN[C@@H](C)c1cn(-c2ccccc2)nn1)[C@H]1CCS(=O)(=O)C1 ZINC000185483044 1197214436 /nfs/dbraw/zinc/21/44/36/1197214436.db2.gz VWHIHHBVEOJBQN-HOCLYGCPSA-N 0 0 391.497 0.954 10 0 GCAERN COC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1)c1ccccn1 ZINC000610298442 1197224053 /nfs/dbraw/zinc/22/40/53/1197224053.db2.gz HWQIYAAQKZGNMM-SWLSCSKDSA-N 0 0 377.422 0.779 10 0 GCAERN COCCn1c(N)c(C(=O)CN2Cc3ccccc3C3(CC3)C2)c(=O)[nH]c1=O ZINC000186231252 1197227210 /nfs/dbraw/zinc/22/72/10/1197227210.db2.gz GXCNLLUVVAOUSC-UHFFFAOYSA-N 0 0 384.436 0.495 10 0 GCAERN CCOC(=O)c1nn(C)cc1CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000186216713 1197227339 /nfs/dbraw/zinc/22/73/39/1197227339.db2.gz ROALYDSDDBQVHD-UHFFFAOYSA-N 0 0 391.516 0.973 10 0 GCAERN C[C@@H]1CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CCN1CCO ZINC000187739645 1197231769 /nfs/dbraw/zinc/23/17/69/1197231769.db2.gz HORIHUJLPBALHO-QGZVFWFLSA-N 0 0 388.512 0.862 10 0 GCAERN Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3cn4ccnc4s3)CC2)cn1 ZINC000188514249 1197233077 /nfs/dbraw/zinc/23/30/77/1197233077.db2.gz RKSOWOOXMGSCCX-UHFFFAOYSA-N 0 0 394.482 0.712 10 0 GCAERN CS(=O)(=O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000453940144 1197234960 /nfs/dbraw/zinc/23/49/60/1197234960.db2.gz MUYSMAWGDQFXRX-HNNXBMFYSA-N 0 0 393.465 0.788 10 0 GCAERN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189634072 1197237495 /nfs/dbraw/zinc/23/74/95/1197237495.db2.gz 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C[C@@H]1CN(C(=O)CN2CCN(Cc3ccccc3)CC2)CCS(=O)(=O)C1 ZINC000191873445 1197244870 /nfs/dbraw/zinc/24/48/70/1197244870.db2.gz OIAMNDWSGKUEFW-QGZVFWFLSA-N 0 0 379.526 0.697 10 0 GCAERN CCCCn1c2nc(CN3CCN(c4cccnn4)CC3)n(C)c2c(=O)[nH]c1=O ZINC000170650050 1197254298 /nfs/dbraw/zinc/25/42/98/1197254298.db2.gz WORINNAUDFHJBG-UHFFFAOYSA-N 0 0 398.471 0.336 10 0 GCAERN O=C(CN1CCC[C@@H](c2nncn2C2CC2)C1)N1CCN(c2cnccn2)CC1 ZINC000193439550 1197255402 /nfs/dbraw/zinc/25/54/02/1197255402.db2.gz MBGTWXRPYAHDLT-MRXNPFEDSA-N 0 0 396.499 0.931 10 0 GCAERN CN1CCN(C(=O)CCNC(=O)N2CCC(c3nnc4ccccn43)CC2)CC1 ZINC000193423514 1197255442 /nfs/dbraw/zinc/25/54/42/1197255442.db2.gz TVGNXAHAJUOJAL-UHFFFAOYSA-N 0 0 399.499 0.782 10 0 GCAERN COC(=O)c1n[nH]c2c1CN(C(=O)C(=O)Nc1cc(OC)ccc1F)CC2 ZINC000453963762 1197266740 /nfs/dbraw/zinc/26/67/40/1197266740.db2.gz FHMFZJGSJXCMOG-UHFFFAOYSA-N 0 0 376.344 0.867 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000909674030 1197285344 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/nfs/dbraw/zinc/36/47/39/1197364739.db2.gz IKMLCUPUTOKHNG-OAHLLOKOSA-N 0 0 399.426 0.807 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2ccc(C(=O)NC)cc2)CC12COC2 ZINC000454242004 1197374790 /nfs/dbraw/zinc/37/47/90/1197374790.db2.gz JIORWIHKDSLIGC-OAHLLOKOSA-N 0 0 375.425 0.767 10 0 GCAERN Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3cnn(C4CCOCC4)c3)C2)cn1 ZINC000133573694 1197383721 /nfs/dbraw/zinc/38/37/21/1197383721.db2.gz AVGTXUMCSCMAAF-CQSZACIVSA-N 0 0 394.501 0.915 10 0 GCAERN COCCn1nc(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)ccc1=O ZINC000134808338 1197386570 /nfs/dbraw/zinc/38/65/70/1197386570.db2.gz HEAWVVBLKOSMSX-GFCCVEGCSA-N 0 0 377.832 0.947 10 0 GCAERN O=C(CNC(=O)c1ccc(O)cc1)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000532697350 1197389407 /nfs/dbraw/zinc/38/94/07/1197389407.db2.gz ZCPLCNASXXSOKI-UHFFFAOYSA-N 0 0 378.392 0.818 10 0 GCAERN CN(CCc1ccc(F)cc1)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000055023373 1197390171 /nfs/dbraw/zinc/39/01/71/1197390171.db2.gz CPRHNQVURUBYCS-SFHVURJKSA-N 0 0 397.516 0.631 10 0 GCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCC(=O)NCCN1CCOCC1)CC2 ZINC000475920881 1197393746 /nfs/dbraw/zinc/39/37/46/1197393746.db2.gz RVKRETOTHZVZBI-CQSZACIVSA-N 0 0 377.489 0.203 10 0 GCAERN COC(=O)C1CCN(C(=O)CN2CCC[C@@H]2C(=O)Nc2nccs2)CC1 ZINC000532728902 1197405962 /nfs/dbraw/zinc/40/59/62/1197405962.db2.gz YJGZXMOIDITARH-CYBMUJFWSA-N 0 0 380.470 0.958 10 0 GCAERN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000532729763 1197406385 /nfs/dbraw/zinc/40/63/85/1197406385.db2.gz AXDIREZXCPVPJP-ZDUSSCGKSA-N 0 0 377.493 0.677 10 0 GCAERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000532739497 1197407808 /nfs/dbraw/zinc/40/78/08/1197407808.db2.gz FFJJJRMNSLBSGW-UHFFFAOYSA-N 0 0 394.379 0.109 10 0 GCAERN CCOC(=O)Cn1cccc(NC(=O)C(=O)N[C@@H](C)c2nc(C)cs2)c1=O ZINC000532812845 1197413800 /nfs/dbraw/zinc/41/38/00/1197413800.db2.gz GLDJWYMTDGGVHC-NSHDSACASA-N 0 0 392.437 0.992 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2ccc(OCC(N)=O)cc2)CC12COC2 ZINC000454425527 1197414348 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CC1CCC(NC(=O)CN2CCN(C[C@@H](O)COC[C@H]3CCCO3)CC2)CC1 ZINC000533049893 1197429052 /nfs/dbraw/zinc/42/90/52/1197429052.db2.gz COTYQTDXLAQBKH-NTFDOXNWSA-N 0 0 397.560 0.855 10 0 GCAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C[C@H](O)COC[C@H]3CCCO3)CC2)C1 ZINC000533060457 1197429921 /nfs/dbraw/zinc/42/99/21/1197429921.db2.gz FRYXCWIIWDJDNB-FUMNGEBKSA-N 0 0 397.560 0.855 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccnnc2C)CC1 ZINC000533118354 1197433697 /nfs/dbraw/zinc/43/36/97/1197433697.db2.gz INXQVLUTLRAQDN-UHFFFAOYSA-N 0 0 375.454 0.656 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2ccc(OCCC(N)=O)cc2)CC12COC2 ZINC000454815364 1197433920 /nfs/dbraw/zinc/43/39/20/1197433920.db2.gz SLFSCKDKMUPPTG-OAHLLOKOSA-N 0 0 391.424 0.984 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCOC[C@@H]2OCCOC)CC12COC2 ZINC000454828737 1197434126 /nfs/dbraw/zinc/43/41/26/1197434126.db2.gz WASHKLHECFVEJV-ZNMIVQPWSA-N 0 0 386.445 0.028 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](O)Cc1cccc(F)c1 ZINC000454865551 1197435322 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CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000735199842 1201683217 /nfs/dbraw/zinc/68/32/17/1201683217.db2.gz PJRGBNKYWGXVDZ-CXHCJZKCSA-N 0 0 382.486 0.519 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000735202121 1201683252 /nfs/dbraw/zinc/68/32/52/1201683252.db2.gz ZRPLJWQDAFTBAO-RMKBEBRYSA-N 0 0 381.454 0.627 10 0 GCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000735199784 1201683425 /nfs/dbraw/zinc/68/34/25/1201683425.db2.gz NQLRKGJOMQINPV-AREMUKBSSA-N 0 0 376.438 0.474 10 0 GCAERN Cn1cc(N2CC[C@H](NC(=O)CCC(=O)N3CCOc4ccccc43)C2=O)cn1 ZINC000735477836 1201689676 /nfs/dbraw/zinc/68/96/76/1201689676.db2.gz VKSHPMVLDCTIPD-HNNXBMFYSA-N 0 0 397.435 0.847 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C3=NN(c4ccccc4)C(=O)[C@H](C)N3)CC2)[nH]1 ZINC000735822879 1201702887 /nfs/dbraw/zinc/70/28/87/1201702887.db2.gz IPIQTUBGBPMQGO-ZDUSSCGKSA-N 0 0 396.455 0.096 10 0 GCAERN CCOC(Cn1cc(C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)nn1)OCC ZINC000735823343 1201702989 /nfs/dbraw/zinc/70/29/89/1201702989.db2.gz RJXNZCWWUVZSHJ-UHFFFAOYSA-N 0 0 392.464 0.062 10 0 GCAERN Cn1[nH]c(=O)c2c1CN(C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)CC2 ZINC000827611158 1201704638 /nfs/dbraw/zinc/70/46/38/1201704638.db2.gz JWVAICRQXOZDGS-CZUORRHYSA-N 0 0 385.342 0.821 10 0 GCAERN O=C([C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)N1CCN([C@H]2CCOC2)CC1 ZINC000827610841 1201704697 /nfs/dbraw/zinc/70/46/97/1201704697.db2.gz ACGUNPZZFKRUGJ-ZOBUZTSGSA-N 0 0 388.386 0.731 10 0 GCAERN O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCN[C@H](c2cn[nH]c2)C1 ZINC000827748311 1201707366 /nfs/dbraw/zinc/70/73/66/1201707366.db2.gz QVWWETYTNNVDFD-KBPBESRZSA-N 0 0 395.510 0.797 10 0 GCAERN O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CCN[C@@H](c2cn[nH]c2)C1 ZINC000827748312 1201707414 /nfs/dbraw/zinc/70/74/14/1201707414.db2.gz QVWWETYTNNVDFD-KGLIPLIRSA-N 0 0 395.510 0.797 10 0 GCAERN O=C(NCC12COCCN1CCOC2)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000827780945 1201708056 /nfs/dbraw/zinc/70/80/56/1201708056.db2.gz OCPIVKNITYRXMT-HNNXBMFYSA-N 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ZINC000608781532 530141579 /nfs/dbraw/zinc/14/15/79/530141579.db2.gz LTOALVBLKAJCFB-UHFFFAOYSA-N 0 0 390.483 0.318 10 0 GCAERN CCO[C@H](CS(=O)(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)C1CC1 ZINC000625211971 530142360 /nfs/dbraw/zinc/14/23/60/530142360.db2.gz XQLDUPURAHGRNU-QLFBSQMISA-N 0 0 378.466 0.403 10 0 GCAERN CC(C)(C)n1ncn(CC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1=O ZINC000180406978 530142586 /nfs/dbraw/zinc/14/25/86/530142586.db2.gz JSZMAKMCDVTESE-UHFFFAOYSA-N 0 0 386.499 0.836 10 0 GCAERN CS(=O)(=O)N[C@H]1CCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000246909945 530145156 /nfs/dbraw/zinc/14/51/56/530145156.db2.gz ATNXCZDHYDAMOI-QWHCGFSZSA-N 0 0 393.303 0.812 10 0 GCAERN CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(O)(CO)CC3)c(Cl)cc21 ZINC000528430200 530152169 /nfs/dbraw/zinc/15/21/69/530152169.db2.gz LVWKCVNTRONSBB-UHFFFAOYSA-N 0 0 388.873 0.757 10 0 GCAERN NC(=O)[C@]1(O)CCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000312836695 530190620 /nfs/dbraw/zinc/19/06/20/530190620.db2.gz VLYZHKFSCSXKLN-JTQLQIEISA-N 0 0 384.639 0.108 10 0 GCAERN COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](O)C(F)F)ccc1Br ZINC000557481630 530195933 /nfs/dbraw/zinc/19/59/33/530195933.db2.gz OPLKVUGUTWCSDG-SECBINFHSA-N 0 0 395.156 0.916 10 0 GCAERN Cc1cc(NC(=O)CSCC(=O)NCCCN2CCCS2(=O)=O)no1 ZINC000608778593 530173967 /nfs/dbraw/zinc/17/39/67/530173967.db2.gz MITFVMHSPXHIFD-UHFFFAOYSA-N 0 0 390.487 0.197 10 0 GCAERN CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccnc(OC(F)F)c2)cn1 ZINC000556354789 530174991 /nfs/dbraw/zinc/17/49/91/530174991.db2.gz CLITUCSKCQYKBN-UHFFFAOYSA-N 0 0 393.393 0.960 10 0 GCAERN CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000265317862 530179210 /nfs/dbraw/zinc/17/92/10/530179210.db2.gz RPTQCIVAAJNJHD-SECBINFHSA-N 0 0 384.277 0.156 10 0 GCAERN NS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)s1 ZINC000517967780 530223238 /nfs/dbraw/zinc/22/32/38/530223238.db2.gz FPBSBKXEKVKQKU-NHYWBVRUSA-N 0 0 388.511 0.622 10 0 GCAERN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C(=O)OCC ZINC000559179379 530223618 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ZINC000116889038 530265963 /nfs/dbraw/zinc/26/59/63/530265963.db2.gz OZMSYTYOFCVZKX-SNVBAGLBSA-N 0 0 377.264 0.406 10 0 GCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)COc2cccc(Br)c2)C1 ZINC000116833731 530265966 /nfs/dbraw/zinc/26/59/66/530265966.db2.gz PICRGHOEYLKXCD-LLVKDONJSA-N 0 0 377.260 0.978 10 0 GCAERN CN1CCO[C@@H](CNC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000118115131 530266896 /nfs/dbraw/zinc/26/68/96/530266896.db2.gz ZKDVGBDGJBROFJ-ZDUSSCGKSA-N 0 0 382.258 0.785 10 0 GCAERN C[C@H](NS(=O)(=O)c1ccc(Br)cn1)C(=O)N1CCOCC1 ZINC000329741931 530295031 /nfs/dbraw/zinc/29/50/31/530295031.db2.gz PACQODIRBFIKPJ-VIFPVBQESA-N 0 0 378.248 0.370 10 0 GCAERN O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CCO[C@@]2(CCOC2)C1 ZINC000274491307 530297207 /nfs/dbraw/zinc/29/72/07/530297207.db2.gz SRFZBYLDKKXNIO-CJNGLKHVSA-N 0 0 386.495 0.919 10 0 GCAERN NC(=O)c1c(F)cc(Br)cc1NC[C@@H](O)CN1CCOCC1 ZINC000094132238 530297531 /nfs/dbraw/zinc/29/75/31/530297531.db2.gz TYTAIRVUDAZELG-SNVBAGLBSA-N 0 0 376.226 0.792 10 0 GCAERN O=C1NC(=O)[C@]2(CCC[C@H]2CNS(=O)(=O)c2ccc3ncsc3c2)N1 ZINC000274846996 530301076 /nfs/dbraw/zinc/30/10/76/530301076.db2.gz GORGWSKRHFEBHH-BJOHPYRUSA-N 0 0 380.451 0.953 10 0 GCAERN COCCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CNC(=O)C1 ZINC000444183828 530301168 /nfs/dbraw/zinc/30/11/68/530301168.db2.gz OQRIESCIZIGHBB-SNVBAGLBSA-N 0 0 393.259 0.641 10 0 GCAERN O=C(NCc1nccs1)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332808389 530330543 /nfs/dbraw/zinc/33/05/43/530330543.db2.gz FPODPJFEMFGZKJ-UPJWGTAASA-N 0 0 385.511 0.869 10 0 GCAERN CC(C)[C@H](C(=O)NCCCN1CCCS1(=O)=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000585733420 530304941 /nfs/dbraw/zinc/30/49/41/530304941.db2.gz LLWZHJHVWIMRCM-BZUAXINKSA-N 0 0 375.535 0.662 10 0 GCAERN O=S(=O)(NCCCN1CCCS1(=O)=O)c1cnn(-c2ccccc2)c1 ZINC000585809065 530305413 /nfs/dbraw/zinc/30/54/13/530305413.db2.gz LXNSNZLLMKFRLB-UHFFFAOYSA-N 0 0 384.483 0.576 10 0 GCAERN O=C(CNC(=O)c1ccc(F)c(F)c1)NCCCN1CCCS1(=O)=O ZINC000586763112 530307538 /nfs/dbraw/zinc/30/75/38/530307538.db2.gz VCVNQTYHNBCNHZ-UHFFFAOYSA-N 0 0 375.397 0.236 10 0 GCAERN NC(=O)CSc1ccccc1NC(=O)NCCCN1CCCS1(=O)=O ZINC000586776066 530307791 /nfs/dbraw/zinc/30/77/91/530307791.db2.gz USFUWUUARIXKHZ-UHFFFAOYSA-N 0 0 386.499 0.811 10 0 GCAERN O=S1(=O)C[C@@H](O)[C@H](N2CCN(Cc3ccc(Br)cn3)CC2)C1 ZINC000275175405 530307992 /nfs/dbraw/zinc/30/79/92/530307992.db2.gz LUXYWUMYSUCLAM-ZIAGYGMSSA-N 0 0 390.303 0.120 10 0 GCAERN O=C(C(=O)N1CCN(C(=O)c2coc(Br)c2)CC1)N1CCCC1 ZINC000298655990 530309249 /nfs/dbraw/zinc/30/92/49/530309249.db2.gz LVOSHJXUXRLJIW-UHFFFAOYSA-N 0 0 384.230 0.949 10 0 GCAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000150797063 530310396 /nfs/dbraw/zinc/31/03/96/530310396.db2.gz OQHIEWIJNXNOGV-MFKMUULPSA-N 0 0 399.289 0.931 10 0 GCAERN Cn1nccc1CNC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000151672744 530312539 /nfs/dbraw/zinc/31/25/39/530312539.db2.gz RLHTYYSCERTXAP-UHFFFAOYSA-N 0 0 377.879 0.913 10 0 GCAERN CN(Cc1nc2c(s1)CCCC2)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000151785795 530312613 /nfs/dbraw/zinc/31/26/13/530312613.db2.gz XSMRRVWIVCDFNW-UHFFFAOYSA-N 0 0 383.499 0.692 10 0 GCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000151602774 530312618 /nfs/dbraw/zinc/31/26/18/530312618.db2.gz AVJBGSWLYYBFMX-VIFPVBQESA-N 0 0 397.233 0.104 10 0 GCAERN COCCN1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H]1C ZINC000154138371 530317550 /nfs/dbraw/zinc/31/75/50/530317550.db2.gz FPZHCNOYJVEHRG-NSHDSACASA-N 0 0 385.262 0.962 10 0 GCAERN C[C@@H](CO)N(C)C(=O)CNC(=O)c1ccccc1I ZINC000154171248 530318252 /nfs/dbraw/zinc/31/82/52/530318252.db2.gz PYNZOGPRPDASPK-VIFPVBQESA-N 0 0 376.194 0.860 10 0 GCAERN C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000155675832 530321345 /nfs/dbraw/zinc/32/13/45/530321345.db2.gz CBQFXDRHOUOXIB-AOOOYVTPSA-N 0 0 397.277 0.444 10 0 GCAERN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000274349918 530321397 /nfs/dbraw/zinc/32/13/97/530321397.db2.gz 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O=C(CNC(=O)Cc1ccc(Br)s1)NCCN1CCOCC1 ZINC000114333981 530587062 /nfs/dbraw/zinc/58/70/62/530587062.db2.gz FHGQRDCQWJZJFV-UHFFFAOYSA-N 0 0 390.303 0.618 10 0 GCAERN O=C(NCCOc1cccc(Br)c1)NC[C@@H](O)Cn1ccnn1 ZINC000457939487 530627436 /nfs/dbraw/zinc/62/74/36/530627436.db2.gz HFWSKBHHKIAPHI-GFCCVEGCSA-N 0 0 384.234 0.780 10 0 GCAERN Cc1c([C@H]2[C@H](Nc3cnn(C)c(=O)c3Br)CC(=O)N2C)cnn1C ZINC000330155371 530627791 /nfs/dbraw/zinc/62/77/91/530627791.db2.gz YGJSZKJNGFMIHD-YGRLFVJLSA-N 0 0 395.261 0.969 10 0 GCAERN COCCN1CCN(S(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)C[C@H]1C ZINC000330162403 530628216 /nfs/dbraw/zinc/62/82/16/530628216.db2.gz AHIBXQYJEWSAIA-WBVHZDCISA-N 0 0 375.535 0.760 10 0 GCAERN C[C@]1(NS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CCO[C@@H]1C1CC1 ZINC000330175264 530628435 /nfs/dbraw/zinc/62/84/35/530628435.db2.gz ZPBQSDIUVZFIQW-CABCVRRESA-N 0 0 380.532 0.535 10 0 GCAERN C[C@@]1(NS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CCO[C@@H]1C1CC1 ZINC000330175266 530628755 /nfs/dbraw/zinc/62/87/55/530628755.db2.gz ZPBQSDIUVZFIQW-HUUCEWRRSA-N 0 0 380.532 0.535 10 0 GCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)CC[C@H]2CCCCN2C(C)=O)CC1 ZINC000330201230 530629274 /nfs/dbraw/zinc/62/92/74/530629274.db2.gz XLIIEADBXSOTTP-DLBZAZTESA-N 0 0 375.535 0.496 10 0 GCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000330198277 530629400 /nfs/dbraw/zinc/62/94/00/530629400.db2.gz TULNEDBOXWQQDU-CABCVRRESA-N 0 0 380.532 0.616 10 0 GCAERN O=C(NC[C@@H](O)Cn1ccnn1)c1cc(Br)c2c(c1)OCCO2 ZINC000458143358 530629500 /nfs/dbraw/zinc/62/95/00/530629500.db2.gz PEDGMEDXNQZNPE-SNVBAGLBSA-N 0 0 383.202 0.603 10 0 GCAERN Cc1c(I)cccc1C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458151728 530629543 /nfs/dbraw/zinc/62/95/43/530629543.db2.gz WWNHQUPVAMWCOP-SNVBAGLBSA-N 0 0 386.193 0.982 10 0 GCAERN CO[C@@H]1CC[C@H](NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)C1 ZINC000458702399 530633124 /nfs/dbraw/zinc/63/31/24/530633124.db2.gz VKVTWDYOLNJHQR-RRFJBIMHSA-N 0 0 376.523 0.808 10 0 GCAERN CCNS(=O)(=O)c1cccc(CNC(=O)N2CCSC[C@H]2CCO)c1 ZINC000459186793 530636549 /nfs/dbraw/zinc/63/65/49/530636549.db2.gz GEJDWRXRVCYMCK-CQSZACIVSA-N 0 0 387.527 0.994 10 0 GCAERN CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000459928528 530639747 /nfs/dbraw/zinc/63/97/47/530639747.db2.gz OELJCDVBGLHFLG-HNNXBMFYSA-N 0 0 396.285 0.951 10 0 GCAERN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)CC3CC3)CC2)cs1 ZINC000460016914 530640422 /nfs/dbraw/zinc/64/04/22/530640422.db2.gz YYPCFHWOPDGXRU-UHFFFAOYSA-N 0 0 386.499 0.153 10 0 GCAERN COC(=O)c1nscc1S(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000580661394 530617187 /nfs/dbraw/zinc/61/71/87/530617187.db2.gz VVXUGODKKSILON-GXFFZTMASA-N 0 0 390.483 0.776 10 0 GCAERN C[C@@H]1C[C@H](S(=O)(=O)N2CSC[C@H]2C(=O)N2CCSCC2)CCO1 ZINC000329642065 530617740 /nfs/dbraw/zinc/61/77/40/530617740.db2.gz ZZRFNOGDCBTPLL-UPJWGTAASA-N 0 0 380.557 0.834 10 0 GCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192228228 530617750 /nfs/dbraw/zinc/61/77/50/530617750.db2.gz QUCMABALHJOKAG-JTQLQIEISA-N 0 0 383.651 0.977 10 0 GCAERN NS(=O)(=O)CCN1CCN(C(=O)NCCc2cc(F)ccc2F)CC1 ZINC000192453446 530618103 /nfs/dbraw/zinc/61/81/03/530618103.db2.gz QRDQJJUVTLRUHZ-UHFFFAOYSA-N 0 0 376.429 0.123 10 0 GCAERN C[C@@H]1CN(S(=O)(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)CCS1(=O)=O ZINC000329710466 530619457 /nfs/dbraw/zinc/61/94/57/530619457.db2.gz NSJXBLMZMWBNIO-UKRRQHHQSA-N 0 0 392.543 0.616 10 0 GCAERN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)CN1CCOCC1=O ZINC000456713015 530620220 /nfs/dbraw/zinc/62/02/20/530620220.db2.gz IPIPRCCTYZHRMN-ZDUSSCGKSA-N 0 0 399.285 0.884 10 0 GCAERN CN1CCN(S(=O)(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)CC1 ZINC000302750073 530682540 /nfs/dbraw/zinc/68/25/40/530682540.db2.gz GZLVLLNTOOZKPH-UHFFFAOYSA-N 0 0 399.464 0.776 10 0 GCAERN CO[C@H]1C[C@H](C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)N(S(C)(=O)=O)C1 ZINC000333205142 530656619 /nfs/dbraw/zinc/65/66/19/530656619.db2.gz OMCHBQNOJVEXJX-LJISPDSOSA-N 0 0 392.543 0.548 10 0 GCAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C1(N2CCOCC2)CCCC1 ZINC000333306220 530656933 /nfs/dbraw/zinc/65/69/33/530656933.db2.gz IHWAQSYKPZPLME-BZUAXINKSA-N 0 0 375.535 0.964 10 0 GCAERN CO[C@H]1C[C@H](C(=O)N(C)Cc2c(C)nc3sccn23)N(S(C)(=O)=O)C1 ZINC000333306630 530657410 /nfs/dbraw/zinc/65/74/10/530657410.db2.gz MSFQLDQEHSMUAE-NWDGAFQWSA-N 0 0 386.499 0.712 10 0 GCAERN CN(Cc1cn(C)nc1C(F)(F)F)S(=O)(=O)CCCN1CCOCC1 ZINC000463881650 530660284 /nfs/dbraw/zinc/66/02/84/530660284.db2.gz VVRGMYZAJDKMPI-UHFFFAOYSA-N 0 0 384.424 0.923 10 0 GCAERN COC[C@](C)(NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)C(F)(F)F ZINC000464510950 530662773 /nfs/dbraw/zinc/66/27/73/530662773.db2.gz WAHUJRYYBMPHGS-LBPRGKRZSA-N 0 0 386.396 0.481 10 0 GCAERN C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCN1S(C)(=O)=O ZINC000618682404 530666650 /nfs/dbraw/zinc/66/66/50/530666650.db2.gz RQNBAQVMOWMMJU-GFCCVEGCSA-N 0 0 389.499 0.043 10 0 GCAERN CN(Cc1nnnn1C)C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000466842807 530670909 /nfs/dbraw/zinc/67/09/09/530670909.db2.gz QXNUJNPDDLKZEM-UHFFFAOYSA-N 0 0 399.224 0.890 10 0 GCAERN CN(Cc1nnnn1C)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000466852958 530670917 /nfs/dbraw/zinc/67/09/17/530670917.db2.gz LDPVPOZJNAMJIW-JTQLQIEISA-N 0 0 393.245 0.984 10 0 GCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cccc(F)c1I ZINC000532740372 530671975 /nfs/dbraw/zinc/67/19/75/530671975.db2.gz PARNFMGOBOYOKA-QMMMGPOBSA-N 0 0 376.125 0.965 10 0 GCAERN CN(Cc1nnnn1C)C(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000467219289 530673126 /nfs/dbraw/zinc/67/31/26/530673126.db2.gz SMAWWFPBYWFKQH-UHFFFAOYSA-N 0 0 389.160 0.848 10 0 GCAERN COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1nnnn1C ZINC000467160066 530673351 /nfs/dbraw/zinc/67/33/51/530673351.db2.gz RCRPOPKWKDWAON-UHFFFAOYSA-N 0 0 376.236 0.802 10 0 GCAERN COc1ccc(Br)c(S(=O)(=O)N(C)Cc2nnnn2C)c1 ZINC000467134161 530673415 /nfs/dbraw/zinc/67/34/15/530673415.db2.gz SEADPAVGJXWHKO-UHFFFAOYSA-N 0 0 376.236 0.802 10 0 GCAERN NS(=O)(=O)c1cnc(N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)s1 ZINC000301653299 530679937 /nfs/dbraw/zinc/67/99/37/530679937.db2.gz RDIRYMUHPUPEAZ-UONOGXRCSA-N 0 0 380.495 0.880 10 0 GCAERN COC(=O)CC1(CC(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CCCC1 ZINC000469243081 530688132 /nfs/dbraw/zinc/68/81/32/530688132.db2.gz MBTQTUCUBRYETQ-ZDUSSCGKSA-N 0 0 375.491 0.532 10 0 GCAERN CCc1nc(C)c(NC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)s1 ZINC000474828129 530720280 /nfs/dbraw/zinc/72/02/80/530720280.db2.gz DLADPAJLXMSAAV-UHFFFAOYSA-N 0 0 385.475 0.670 10 0 GCAERN CCCCN(C(=O)CN1CCSC[C@@H]1CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000470202687 530692832 /nfs/dbraw/zinc/69/28/32/530692832.db2.gz KMMOTVRIDWPDKT-LSDHHAIUSA-N 0 0 378.560 0.602 10 0 GCAERN CCCCN(C(=O)CN1CCSC[C@@H]1CCO)[C@H]1CCS(=O)(=O)C1 ZINC000470202685 530693150 /nfs/dbraw/zinc/69/31/50/530693150.db2.gz KMMOTVRIDWPDKT-GJZGRUSLSA-N 0 0 378.560 0.602 10 0 GCAERN NS(=O)(=O)N1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000171773003 530705579 /nfs/dbraw/zinc/70/55/79/530705579.db2.gz PNWLYSQUOMEYHE-UHFFFAOYSA-N 0 0 388.247 0.287 10 0 GCAERN COC[C@](C)(CO)NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000681072006 530706850 /nfs/dbraw/zinc/70/68/50/530706850.db2.gz DRZOWBFCIAXSEO-HNNXBMFYSA-N 0 0 387.230 0.688 10 0 GCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000472647847 530707292 /nfs/dbraw/zinc/70/72/92/530707292.db2.gz GXSXGYBFWCIXLI-ZIAGYGMSSA-N 0 0 380.536 0.062 10 0 GCAERN CCS(=O)(=O)c1ccc(CNC(=O)[C@](C)(O)Cn2ccccc2=O)s1 ZINC000473294962 530711159 /nfs/dbraw/zinc/71/11/59/530711159.db2.gz OVLVBTAJCQSMPE-MRXNPFEDSA-N 0 0 384.479 0.771 10 0 GCAERN Cn1cc(Br)cc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c1=O ZINC000473692560 530712840 /nfs/dbraw/zinc/71/28/40/530712840.db2.gz POOIFRNZPMLRLK-SNVBAGLBSA-N 0 0 387.234 0.253 10 0 GCAERN O=C1[C@H](NS(=O)(=O)c2cnc(Cl)c(F)c2)CCN1C1CCOCC1 ZINC000367794196 530716395 /nfs/dbraw/zinc/71/63/95/530716395.db2.gz QWWIMAYEZYLIOB-GFCCVEGCSA-N 0 0 377.825 0.932 10 0 GCAERN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CCS(C)(=O)=O)cc1C ZINC000474532386 530718140 /nfs/dbraw/zinc/71/81/40/530718140.db2.gz CLAPKLUSHFMEIJ-CQSZACIVSA-N 0 0 390.527 0.863 10 0 GCAERN C[C@H](NC(=O)CS(=O)(=O)Cc1nc(C(C)(C)C)cs1)C(=O)N(C)C ZINC000476659160 530735468 /nfs/dbraw/zinc/73/54/68/530735468.db2.gz BBFZHKKJFKBVSK-JTQLQIEISA-N 0 0 375.516 0.948 10 0 GCAERN COc1cc(C(=O)NC[C@H](C)N2CCCCC2=O)sc1S(N)(=O)=O ZINC000476943735 530737724 /nfs/dbraw/zinc/73/77/24/530737724.db2.gz JHRIBJQKRBSGDV-VIFPVBQESA-N 0 0 375.472 0.535 10 0 GCAERN O=S(=O)(NCc1nnc2ccccn21)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000477005440 530738247 /nfs/dbraw/zinc/73/82/47/530738247.db2.gz WJMAVTUIWQUIDK-UHFFFAOYSA-N 0 0 378.435 0.538 10 0 GCAERN Cc1csc(NC(=O)CN2CCN(S(=O)(=O)CCOC(C)C)CC2)n1 ZINC000477054941 530739566 /nfs/dbraw/zinc/73/95/66/530739566.db2.gz CLTJGDGRWPSVAB-UHFFFAOYSA-N 0 0 390.531 0.762 10 0 GCAERN CC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C)C1 ZINC000477183159 530740343 /nfs/dbraw/zinc/74/03/43/530740343.db2.gz RQTSWRRIPOFCBE-GFCCVEGCSA-N 0 0 389.499 0.178 10 0 GCAERN O=C(N[C@@H]1CC[S@](=O)C1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000474971322 530721852 /nfs/dbraw/zinc/72/18/52/530721852.db2.gz SIOQBAINKYBNKD-ZSDNHXBWSA-N 0 0 376.525 0.929 10 0 GCAERN NS(=O)(=O)c1ccc(OCCSCC(=O)NC[C@@H](O)C(F)F)cc1 ZINC000475212237 530723638 /nfs/dbraw/zinc/72/36/38/530723638.db2.gz MKVOXIQATLGFDV-LLVKDONJSA-N 0 0 384.426 0.188 10 0 GCAERN COC(=O)c1c(F)ccc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)c1F ZINC000368708365 530726105 /nfs/dbraw/zinc/72/61/05/530726105.db2.gz WIXIRRPTGAFLEF-SNVBAGLBSA-N 0 0 376.381 0.457 10 0 GCAERN COCC[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(N)=O ZINC000475807789 530728385 /nfs/dbraw/zinc/72/83/85/530728385.db2.gz MZDRKMFPNPIITB-VXGBXAGGSA-N 0 0 389.499 0.298 10 0 GCAERN CN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)[C@@H]1CCN(C)C1=O ZINC000369567039 530734079 /nfs/dbraw/zinc/73/40/79/530734079.db2.gz GGWIJSSWUJUEHM-CHWSQXEVSA-N 0 0 385.511 0.980 10 0 GCAERN COC(=O)c1ccsc1N1CC[C@@H](NS(=O)(=O)N2CCC[C@@H]2C)C1=O ZINC000372159883 530764054 /nfs/dbraw/zinc/76/40/54/530764054.db2.gz GHXMJFAMZRDHTR-CMPLNLGQSA-N 0 0 387.483 0.959 10 0 GCAERN 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CS(=O)(=O)N[C@@H]1CCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000172023283 530965064 /nfs/dbraw/zinc/96/50/64/530965064.db2.gz ATNXCZDHYDAMOI-OLZOCXBDSA-N 0 0 393.303 0.812 10 0 GCAERN O=C(CNC(=O)CN1CCNC(=O)CC1)Nc1ccccc1Br ZINC000054258646 530947771 /nfs/dbraw/zinc/94/77/71/530947771.db2.gz PHKCXYQGSPLSAG-UHFFFAOYSA-N 0 0 383.246 0.326 10 0 GCAERN CS(=O)(=O)NCC1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000513524567 530949029 /nfs/dbraw/zinc/94/90/29/530949029.db2.gz JQSCBTMSXCHJPC-UHFFFAOYSA-N 0 0 389.499 0.883 10 0 GCAERN Cn1c2ccc(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2sc1=O ZINC000194977353 530950598 /nfs/dbraw/zinc/95/05/98/530950598.db2.gz QDJMBOYXFXLDSC-AWEZNQCLSA-N 0 0 381.523 0.905 10 0 GCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CNS(=O)(=O)c1cccs1)CC2 ZINC000195289407 530950644 /nfs/dbraw/zinc/95/06/44/530950644.db2.gz ZSKOACCSVLYVMN-NSHDSACASA-N 0 0 383.499 0.873 10 0 GCAERN Cn1c2ccc(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2sc1=O ZINC000194977340 530950661 /nfs/dbraw/zinc/95/06/61/530950661.db2.gz 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CS(=O)(=O)NCC1CCN(C(=O)NCCCOCC(F)(F)F)CC1 ZINC000571949571 530982770 /nfs/dbraw/zinc/98/27/70/530982770.db2.gz IEHSWJZFUIMCQT-UHFFFAOYSA-N 0 0 375.413 0.926 10 0 GCAERN CS(=O)(=O)Cc1ccc(S(=O)(=O)NCC(=O)NC2CCCCC2)cc1 ZINC000523873809 530983513 /nfs/dbraw/zinc/98/35/13/530983513.db2.gz SQFSHQNXDVHVPR-UHFFFAOYSA-N 0 0 388.511 0.958 10 0 GCAERN Cc1cc(S(=O)(=O)N2CCC[C@](O)(C(N)=O)C2)sc1Br ZINC000284750458 530983524 /nfs/dbraw/zinc/98/35/24/530983524.db2.gz NVRXKYNLEDWOPQ-LLVKDONJSA-N 0 0 383.289 0.820 10 0 GCAERN CNS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000251890507 530983890 /nfs/dbraw/zinc/98/38/90/530983890.db2.gz QHWJCLAEUGEOCB-KGLIPLIRSA-N 0 0 376.429 0.558 10 0 GCAERN CC(=O)c1ccc2c(c1)CN(S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)C2 ZINC000632456157 530971139 /nfs/dbraw/zinc/97/11/39/530971139.db2.gz VZIMJKOPHMKXMG-CYBMUJFWSA-N 0 0 386.495 0.816 10 0 GCAERN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000261899526 530991258 /nfs/dbraw/zinc/99/12/58/530991258.db2.gz GJWNUCUFRADSDI-TZMCWYRMSA-N 0 0 380.495 0.983 10 0 GCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)C1 ZINC000373154699 530998523 /nfs/dbraw/zinc/99/85/23/530998523.db2.gz PWMRTJZJLDERLE-UONOGXRCSA-N 0 0 389.543 0.618 10 0 GCAERN NS(=O)(=O)CCCN1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000525120359 530992825 /nfs/dbraw/zinc/99/28/25/530992825.db2.gz OSUBPDDXKBZNLW-UHFFFAOYSA-N 0 0 375.878 0.542 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000524593362 530987351 /nfs/dbraw/zinc/98/73/51/530987351.db2.gz VQAWWGZMUPWFNQ-UHFFFAOYSA-N 0 0 388.515 0.057 10 0 GCAERN CS(=O)(=O)N[C@H]1CCCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1 ZINC000041621650 530988152 /nfs/dbraw/zinc/98/81/52/530988152.db2.gz RJXJBGDQJDQZEZ-JTQLQIEISA-N 0 0 382.511 0.987 10 0 GCAERN CC(C)(C)OC(=O)CCCCNC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000611364012 530988778 /nfs/dbraw/zinc/98/87/78/530988778.db2.gz AZFGRKKSESBSSD-UHFFFAOYSA-N 0 0 378.491 0.737 10 0 GCAERN NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000286401196 530990052 /nfs/dbraw/zinc/99/00/52/530990052.db2.gz LHCXISQAKMIOBI-LLVKDONJSA-N 0 0 383.651 0.713 10 0 GCAERN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CC(=O)N(C)C3=O)c(Cl)cc21 ZINC000528388449 531010078 /nfs/dbraw/zinc/01/00/78/531010078.db2.gz HSKXGAGJCYFJQK-LLVKDONJSA-N 0 0 385.829 0.285 10 0 GCAERN COc1ccc(Br)c(-c2nnn(C[C@@H](O)CN3CCOCC3)n2)c1 ZINC000126739772 531034330 /nfs/dbraw/zinc/03/43/30/531034330.db2.gz VJGSMFSAAPBYCG-NSHDSACASA-N 0 0 398.261 0.804 10 0 GCAERN Cn1cc(NC(=O)Cc2ccc(I)cc2)c(=O)n(C)c1=O ZINC000191426136 531012247 /nfs/dbraw/zinc/01/22/47/531012247.db2.gz MGHVFSIHKWUQTA-UHFFFAOYSA-N 0 0 399.188 0.870 10 0 GCAERN C[C@@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)cc2)CCN1S(C)(=O)=O ZINC000661681552 531016401 /nfs/dbraw/zinc/01/64/01/531016401.db2.gz WJAZXYIXWHAZKJ-CYBMUJFWSA-N 0 0 375.516 0.403 10 0 GCAERN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)C(C)(C)O)s1 ZINC000538605826 531034651 /nfs/dbraw/zinc/03/46/51/531034651.db2.gz ZYXUHHRUGRJJRO-UHFFFAOYSA-N 0 0 391.515 0.328 10 0 GCAERN CC(=O)N1CCc2cc(S(=O)(=O)N3CCS(=O)(=O)CC3)c(Cl)cc21 ZINC000528320890 531029113 /nfs/dbraw/zinc/02/91/13/531029113.db2.gz VSQCJSATBZTUKI-UHFFFAOYSA-N 0 0 392.886 0.668 10 0 GCAERN CS(=O)(=O)c1ccc(OCCNC(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000538210815 531030780 /nfs/dbraw/zinc/03/07/80/531030780.db2.gz LOLDOAJQGSBGBW-ZDUSSCGKSA-N 0 0 388.511 0.978 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000262975501 530999962 /nfs/dbraw/zinc/99/99/62/530999962.db2.gz MGJFFOSNTTZWCB-LLVKDONJSA-N 0 0 378.401 0.122 10 0 GCAERN COC(=O)c1cc(F)cc(S(=O)(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000611770144 531000183 /nfs/dbraw/zinc/00/01/83/531000183.db2.gz HZBGKUGUDLUJHK-UHFFFAOYSA-N 0 0 394.446 0.316 10 0 GCAERN CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000262763343 531063405 /nfs/dbraw/zinc/06/34/05/531063405.db2.gz KBRDUKVKXPQQGJ-RISCZKNCSA-N 0 0 391.515 0.733 10 0 GCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1Cl ZINC000542130382 531064150 /nfs/dbraw/zinc/06/41/50/531064150.db2.gz ZORXMZGGLLJGRP-NSHDSACASA-N 0 0 387.845 0.631 10 0 GCAERN CNc1ncc(C(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)s1 ZINC000367038455 531064560 /nfs/dbraw/zinc/06/45/60/531064560.db2.gz PRSCAUMRVJPBLP-SECBINFHSA-N 0 0 380.451 1.568 10 0 GCAERN CNc1ncc(C(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)s1 ZINC000372829337 531064729 /nfs/dbraw/zinc/06/47/29/531064729.db2.gz FKPQAMJSPVVRJL-LLVKDONJSA-N 0 0 376.504 0.697 10 0 GCAERN CN(Cc1nnnn1C)S(=O)(=O)c1ccc(I)cc1 ZINC000542744489 531068927 /nfs/dbraw/zinc/06/89/27/531068927.db2.gz KOVPLLRBIBGKBU-UHFFFAOYSA-N 0 0 393.210 0.635 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)NCCC[S@@](C)=O)c1OC ZINC000538939825 531037550 /nfs/dbraw/zinc/03/75/50/531037550.db2.gz FNKHQHYBLFJPLX-HSZRJFAPSA-N 0 0 379.456 0.537 10 0 GCAERN Brc1c(NC2COCCOC2)ncnc1NC1COCCOC1 ZINC000663931815 531037894 /nfs/dbraw/zinc/03/78/94/531037894.db2.gz GUVZAQFFWUUEHQ-UHFFFAOYSA-N 0 0 389.250 0.894 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)NCCC[S@](C)=O)c1OC ZINC000538939837 531037931 /nfs/dbraw/zinc/03/79/31/531037931.db2.gz FNKHQHYBLFJPLX-QHCPKHFHSA-N 0 0 379.456 0.537 10 0 GCAERN NC(=O)CN1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000612401373 531041684 /nfs/dbraw/zinc/04/16/84/531041684.db2.gz JREKNYJGVKBHNQ-UHFFFAOYSA-N 0 0 397.220 0.842 10 0 GCAERN C[C@@H]1CN(c2cc(S(=O)(=O)N3CCCC3)ccn2)CCN1S(C)(=O)=O ZINC000664408526 531041875 /nfs/dbraw/zinc/04/18/75/531041875.db2.gz DOJWRFRYCSYEAO-CYBMUJFWSA-N 0 0 388.515 0.336 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)N[C@H](C)[C@@H](CO)SC)c1OC ZINC000537041849 531046717 /nfs/dbraw/zinc/04/67/17/531046717.db2.gz ICFDVFZYNLWNEB-MWLCHTKSSA-N 0 0 393.483 0.881 10 0 GCAERN COCC[C@H](NS(=O)(=O)c1cc(Br)ccc1OC)C(N)=O ZINC000540484810 531050149 /nfs/dbraw/zinc/05/01/49/531050149.db2.gz PZMCWQZZWPQOBN-VIFPVBQESA-N 0 0 381.248 0.626 10 0 GCAERN CC(=O)N1CCN(CCNc2ncc(I)cn2)CC1 ZINC000545915416 531051095 /nfs/dbraw/zinc/05/10/95/531051095.db2.gz VMCPXXKMQVFOMR-UHFFFAOYSA-N 0 0 375.214 0.657 10 0 GCAERN COC(=O)c1sccc1S(=O)(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000540873904 531052584 /nfs/dbraw/zinc/05/25/84/531052584.db2.gz KUGLWFNFVJYSJR-UHFFFAOYSA-N 0 0 385.471 0.468 10 0 GCAERN CC(=O)c1ccc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1Cl ZINC000541180116 531055692 /nfs/dbraw/zinc/05/56/92/531055692.db2.gz CPTBPGSOSPRVNC-UHFFFAOYSA-N 0 0 388.877 0.981 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)N[C@H](C)C[S@@](C)=O)c1OC ZINC000541309435 531056128 /nfs/dbraw/zinc/05/61/28/531056128.db2.gz DDIQYMURAJVXMP-XQHREBAHSA-N 0 0 379.456 0.536 10 0 GCAERN CN1CCO[C@H]2CN(C(=O)Nc3nnc4ccc(Br)cn43)C[C@H]21 ZINC000333633590 531056143 /nfs/dbraw/zinc/05/61/43/531056143.db2.gz HUIIUDOSWBDNSM-MNOVXSKESA-N 0 0 381.234 1.039 10 0 GCAERN CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262736659 531057852 /nfs/dbraw/zinc/05/78/52/531057852.db2.gz AKMPVLBTTXCGSF-AAEUAGOBSA-N 0 0 391.515 0.733 10 0 GCAERN COc1c(F)cc(CC(=O)N(C)C[C@@H](O)C(F)(F)F)cc1S(N)(=O)=O ZINC000541821700 531061108 /nfs/dbraw/zinc/06/11/08/531061108.db2.gz VQJDHVHUYWQHSU-SNVBAGLBSA-N 0 0 388.339 0.406 10 0 GCAERN CC(C)Cn1ccnc1CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000130860368 531074024 /nfs/dbraw/zinc/07/40/24/531074024.db2.gz CSOVDAKATLBEHM-UHFFFAOYSA-N 0 0 384.234 0.468 10 0 GCAERN O=C(N[C@@H]1CCOC1)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000672284028 531075386 /nfs/dbraw/zinc/07/53/86/531075386.db2.gz WRHTUYOITVMGAJ-OAHLLOKOSA-N 0 0 396.285 0.998 10 0 GCAERN O=C(Nc1nnc2ccc(Br)cn21)N[C@H]1CCc2nnnn2CC1 ZINC000333856966 531076127 /nfs/dbraw/zinc/07/61/27/531076127.db2.gz OVYAZACTFBTDRT-VIFPVBQESA-N 0 0 392.221 1.005 10 0 GCAERN C[C@H](O)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000543976344 531077244 /nfs/dbraw/zinc/07/72/44/531077244.db2.gz OWETVSFSMNRVBU-STQMWFEESA-N 0 0 376.500 0.909 10 0 GCAERN C[C@@H](O)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000543976343 531077312 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381.410 0.822 10 0 GCAERN O=C(N[C@H]1CCN2C(=O)[C@@H]3[C@H](OCC4CC4)CCN3C(=O)[C@H]12)c1cccs1 ZINC000015708854 527051282 /nfs/dbraw/zinc/05/12/82/527051282.db2.gz YOAOTRRBQMURFP-XRGAULLZSA-N 0 0 389.477 0.857 10 0 GCAERN Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)C[C@H]2CO)cn1 ZINC000275364643 527304701 /nfs/dbraw/zinc/30/47/01/527304701.db2.gz WDXLFVOWCXOTPY-YOEHRIQHSA-N 0 0 390.465 0.103 10 0 GCAERN O=C1c2ccccc2C(=O)N1[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1 ZINC000038600262 570580778 /nfs/dbraw/zinc/58/07/78/570580778.db2.gz JNORQWPZZDBBOP-PDOZGGDVSA-N 0 0 399.399 0.307 10 0 in-vitro GCAERN Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cc(Cl)cnc3N)C2=O)n(C)n1 ZINC000269755329 570662428 /nfs/dbraw/zinc/66/24/28/570662428.db2.gz FAQQOMOAAGMFFX-LLVKDONJSA-N 0 0 398.876 0.833 10 0 GCAERN CCn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)CCO2)cn1 ZINC000275215206 570688557 /nfs/dbraw/zinc/68/85/57/570688557.db2.gz BKBYERKCQNNNMS-QGZVFWFLSA-N 0 0 390.465 0.951 10 0 GCAERN 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COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000278931620 1192380247 /nfs/dbraw/zinc/38/02/47/1192380247.db2.gz JZBJUGWUSWIZPW-FZKQIMNGSA-N 0 0 380.466 0.844 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCc2nc(C)cs2)CC1 ZINC000585725970 1192399060 /nfs/dbraw/zinc/39/90/60/1192399060.db2.gz LJFXICZKBUYMLZ-UHFFFAOYSA-N 0 0 382.486 0.206 10 0 GCAERN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCCCN1CCCS1(=O)=O)C2=O ZINC000585734841 1192400466 /nfs/dbraw/zinc/40/04/66/1192400466.db2.gz FGAJVRRHWSEKAT-ZDUSSCGKSA-N 0 0 393.465 0.521 10 0 GCAERN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCCN1CCCS1(=O)=O ZINC000585735851 1192400612 /nfs/dbraw/zinc/40/06/12/1192400612.db2.gz LJBBKFSKTBCCKZ-UHFFFAOYSA-N 0 0 394.453 0.034 10 0 GCAERN CCOC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCN(CC)C2=O)c(F)cc1C ZINC000585760810 1192406559 /nfs/dbraw/zinc/40/65/59/1192406559.db2.gz DPXPCELOJBEDSX-ZDUSSCGKSA-N 0 0 379.388 0.986 10 0 GCAERN CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000843691392 1192418619 /nfs/dbraw/zinc/41/86/19/1192418619.db2.gz NGLOYKQYXDVEMA-FYXHJSOBSA-N 0 0 378.450 0.580 10 0 GCAERN O=S(=O)(NCCCN1CCCS1(=O)=O)c1cnn(Cc2ccccc2)c1 ZINC000585809218 1192421530 /nfs/dbraw/zinc/42/15/30/1192421530.db2.gz YHVVQWVTAGAALT-UHFFFAOYSA-N 0 0 398.510 0.635 10 0 GCAERN COc1cc(C)c(C(=O)OCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1OC ZINC000785371508 1192426632 /nfs/dbraw/zinc/42/66/32/1192426632.db2.gz SAWOFHAQJNDZAO-UHFFFAOYSA-N 0 0 388.380 0.643 10 0 GCAERN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279024475 1192440830 /nfs/dbraw/zinc/44/08/30/1192440830.db2.gz ASVJNVSDTBBVLF-SFTDATJTSA-N 0 0 396.447 0.724 10 0 GCAERN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279024466 1192440882 /nfs/dbraw/zinc/44/08/82/1192440882.db2.gz ASVJNVSDTBBVLF-LEWJYISDSA-N 0 0 396.447 0.724 10 0 GCAERN CC(C)(CC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(F)(F)F ZINC000408332289 1192447872 /nfs/dbraw/zinc/44/78/72/1192447872.db2.gz RBPGJFQRTGUVAP-UHFFFAOYSA-N 0 0 379.379 0.495 10 0 GCAERN CCc1c(C(=O)N2C[C@@H](C)[S@](=O)[C@@H](C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000408343459 1192471677 /nfs/dbraw/zinc/47/16/77/1192471677.db2.gz PSOKEXMVCBVNMP-PJIPTCKNSA-N 0 0 392.481 0.176 10 0 GCAERN CCc1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)oc1CC ZINC000408354924 1192494542 /nfs/dbraw/zinc/49/45/42/1192494542.db2.gz ONNKBCWWDFHXHZ-UHFFFAOYSA-N 0 0 385.486 0.739 10 0 GCAERN C=CCNC(=O)CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000067009990 1192544872 /nfs/dbraw/zinc/54/48/72/1192544872.db2.gz XRGIDNOAVAQITN-UHFFFAOYSA-N 0 0 380.376 0.559 10 0 GCAERN CC(=O)N1CCN(c2ccccc2CNC(=O)N2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000279526319 1192551867 /nfs/dbraw/zinc/55/18/67/1192551867.db2.gz PWKMGROFPOAZAW-OAQYLSRUSA-N 0 0 399.495 0.777 10 0 GCAERN COc1cccc(C[C@H](C(=O)N2CC[C@@]3(CNC(=O)C3)C2)n2nnnc2C)c1 ZINC000279591178 1192561207 /nfs/dbraw/zinc/56/12/07/1192561207.db2.gz UKLCUVDEXUCECP-VQIMIIECSA-N 0 0 384.440 0.513 10 0 GCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCO[C@@]4(CCO[C@H]4C)C3)C2=O)n(C)n1 ZINC000279599591 1192562317 /nfs/dbraw/zinc/56/23/17/1192562317.db2.gz SAOCOTTZFIHWGC-DOXZYTNZSA-N 0 0 391.472 0.813 10 0 GCAERN C[C@H]1Cc2cc(C(=O)N3CCN(CCO)[C@@H](C)C3)ccc2N1S(C)(=O)=O ZINC000408376642 1192572957 /nfs/dbraw/zinc/57/29/57/1192572957.db2.gz XKDUYAYCCDEMAO-KBPBESRZSA-N 0 0 381.498 0.536 10 0 GCAERN Cc1c(C(=O)N2CCN(CCO)[C@H](C)C2)sc2nc3n(c(=O)c12)CCC3 ZINC000408378779 1192578388 /nfs/dbraw/zinc/57/83/88/1192578388.db2.gz XCYHOKXAUOCTLH-LLVKDONJSA-N 0 0 376.482 0.851 10 0 GCAERN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)C1 ZINC000408386672 1192593983 /nfs/dbraw/zinc/59/39/83/1192593983.db2.gz QXBYBMTZZMXVER-HZPDHXFCSA-N 0 0 378.517 0.504 10 0 GCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)NC2(c3nc[nH]n3)CCC2)c1OC ZINC000509736466 1192609434 /nfs/dbraw/zinc/60/94/34/1192609434.db2.gz RUZKPMKOAWJQSR-UHFFFAOYSA-N 0 0 396.425 0.966 10 0 GCAERN C[C@H](NC(=O)CN1CCN(C)[C@H](c2nccn2C)C1)C(=O)N1CCCCC1 ZINC000279905095 1192616025 /nfs/dbraw/zinc/61/60/25/1192616025.db2.gz DPFCNBBQQMCUMT-HOTGVXAUSA-N 0 0 376.505 0.226 10 0 GCAERN C[C@H](NC(=O)CN1CCN(C)[C@@H](c2nccn2C)C1)C(=O)N1CCCCC1 ZINC000279905105 1192616755 /nfs/dbraw/zinc/61/67/55/1192616755.db2.gz DPFCNBBQQMCUMT-JKSUJKDBSA-N 0 0 376.505 0.226 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)N[C@H]2CC[C@H](O)CC2)CC1 ZINC000512418307 1192673239 /nfs/dbraw/zinc/67/32/39/1192673239.db2.gz MPDWRZWLHINDBK-SHTZXODSSA-N 0 0 396.513 0.730 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)N2CCC(C)(c3nc(C)no3)CC2)cn1C ZINC000512432078 1192683754 /nfs/dbraw/zinc/68/37/54/1192683754.db2.gz MXTZJANQNNLHBE-UHFFFAOYSA-N 0 0 381.458 0.819 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)[C@@H](C)C1 ZINC000410650032 1192790669 /nfs/dbraw/zinc/79/06/69/1192790669.db2.gz AHTLOYZRLYPXCR-ZDUSSCGKSA-N 0 0 388.472 0.015 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000473288896 1192855891 /nfs/dbraw/zinc/85/58/91/1192855891.db2.gz VPQJVQQBPKHUJB-UHFFFAOYSA-N 0 0 384.440 0.690 10 0 GCAERN Cc1ccccc1Cc1nnc(N2CCO[C@H](C(N)=O)C2)n1C[C@@H]1CCOC1 ZINC000549705662 1192857826 /nfs/dbraw/zinc/85/78/26/1192857826.db2.gz XPVUNSCKIOPNPF-RDJZCZTQSA-N 0 0 385.468 0.904 10 0 GCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccccc1OCCC(N)=O ZINC000549719512 1192860315 /nfs/dbraw/zinc/86/03/15/1192860315.db2.gz JTJINSNAKILUOK-CYBMUJFWSA-N 0 0 385.424 0.807 10 0 GCAERN Cc1cc(C[C@H](C)NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)[nH]n1 ZINC000549717278 1192861179 /nfs/dbraw/zinc/86/11/79/1192861179.db2.gz ITEFVIWDYHNLCK-NSHDSACASA-N 0 0 378.454 0.774 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000473314946 1192862464 /nfs/dbraw/zinc/86/24/64/1192862464.db2.gz LCYGYCMBTDOLOB-ZDUSSCGKSA-N 0 0 388.428 0.075 10 0 GCAERN NC(=O)CCOc1ccc(NC(=O)C(=O)N[C@H](CO)CC2CCCC2)cc1 ZINC000549735802 1192866025 /nfs/dbraw/zinc/86/60/25/1192866025.db2.gz DFALRMOMBAWFSL-HNNXBMFYSA-N 0 0 377.441 0.937 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CO)CC2CCCC2)c1 ZINC000549738195 1192866223 /nfs/dbraw/zinc/86/62/23/1192866223.db2.gz KCGIFVXVRPAJKO-CQSZACIVSA-N 0 0 383.470 0.591 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000473333252 1192868243 /nfs/dbraw/zinc/86/82/43/1192868243.db2.gz YHWZBZKIWUGTFX-ZNMIVQPWSA-N 0 0 381.454 0.607 10 0 GCAERN O=C(COc1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2cnns2)C1 ZINC000549753215 1192870751 /nfs/dbraw/zinc/87/07/51/1192870751.db2.gz SMSNDCPDHNIOOI-LLVKDONJSA-N 0 0 375.410 0.273 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(C)c(NC(C)=O)c2)C1 ZINC000473338342 1192872294 /nfs/dbraw/zinc/87/22/94/1192872294.db2.gz XULHJPOWSKFNLT-CQSZACIVSA-N 0 0 375.429 0.812 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000549799288 1192885536 /nfs/dbraw/zinc/88/55/36/1192885536.db2.gz BBXCOYPPSARXSR-UHFFFAOYSA-N 0 0 383.387 0.228 10 0 GCAERN CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)NCc1nnc3ccccn31)CC2 ZINC000549800441 1192885774 /nfs/dbraw/zinc/88/57/74/1192885774.db2.gz NDWYJLTTZQXWPN-AWEZNQCLSA-N 0 0 381.440 0.797 10 0 GCAERN C[C@@H](NC(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000051956389 1192893188 /nfs/dbraw/zinc/89/31/88/1192893188.db2.gz IRILPCUDIXFWJJ-OAHLLOKOSA-N 0 0 390.459 0.770 10 0 GCAERN Cc1nc(CN(C)C(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)no1 ZINC000512554951 1192899605 /nfs/dbraw/zinc/89/96/05/1192899605.db2.gz QYOZVXJSAFYNCP-OAHLLOKOSA-N 0 0 398.423 0.886 10 0 GCAERN O=C(NCc1cccnc1)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332800499 1192902858 /nfs/dbraw/zinc/90/28/58/1192902858.db2.gz SQUUIPZMHKAQLI-ARFHVFGLSA-N 0 0 379.482 0.808 10 0 GCAERN Cn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1=O ZINC000332816111 1192904643 /nfs/dbraw/zinc/90/46/43/1192904643.db2.gz DVBNQDSEHXWSQQ-RBSFLKMASA-N 0 0 395.481 0.434 10 0 GCAERN O=C(NC[C@@H]1CCCCO1)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332818369 1192904655 /nfs/dbraw/zinc/90/46/55/1192904655.db2.gz SYFKQFIEXJDVPV-JONQDZQNSA-N 0 0 386.514 0.781 10 0 GCAERN CCn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cn1 ZINC000332801101 1192905082 /nfs/dbraw/zinc/90/50/82/1192905082.db2.gz VOPNKXKQEWFJBT-NWANDNLSSA-N 0 0 382.486 0.951 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)CC(=O)NC(C)(C)C)cc1 ZINC000512620007 1192920222 /nfs/dbraw/zinc/92/02/22/1192920222.db2.gz RRJPRVGDKNQNIG-UHFFFAOYSA-N 0 0 383.470 0.541 10 0 GCAERN O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc(OCC(F)(F)F)o2)CC1 ZINC000654700048 1184076741 /nfs/dbraw/zinc/07/67/41/1184076741.db2.gz YJSNUYOZTHOPRX-UHFFFAOYSA-N 0 0 388.306 0.192 10 0 GCAERN O=C(NCCS(=O)(=O)NCc1ccccc1)N1CCO[C@@]2(CCOC2)C1 ZINC000274535928 1184090149 /nfs/dbraw/zinc/09/01/49/1184090149.db2.gz BDOMICPPTFPLHF-KRWDZBQOSA-N 0 0 383.470 0.307 10 0 GCAERN O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)N1CCO[C@@]2(CCOC2)C1 ZINC000274574267 1184107286 /nfs/dbraw/zinc/10/72/86/1184107286.db2.gz RJTFKEXYPPVHTF-HFJWLAOPSA-N 0 0 381.450 0.973 10 0 GCAERN CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)Cc2ccoc2)CC3)CC1 ZINC000683123639 1184142865 /nfs/dbraw/zinc/14/28/65/1184142865.db2.gz AIPGDSCRTYWQHM-HNNXBMFYSA-N 0 0 385.468 0.785 10 0 GCAERN Cc1cnccc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000683124332 1184144233 /nfs/dbraw/zinc/14/42/33/1184144233.db2.gz JXUZZCWCTADPCR-INIZCTEOSA-N 0 0 396.495 0.967 10 0 GCAERN Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)c1 ZINC000029385146 1184249599 /nfs/dbraw/zinc/24/95/99/1184249599.db2.gz RKEYWNRKGFXLAK-UHFFFAOYSA-N 0 0 397.497 0.403 10 0 GCAERN Cn1cc(/C=C\C(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)c(=O)n(C)c1=O ZINC000254967976 1184338581 /nfs/dbraw/zinc/33/85/81/1184338581.db2.gz GNZOUFKNFBLYHO-KXQLTZBTSA-N 0 0 381.791 0.740 10 0 GCAERN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)Cc1cnccn1 ZINC000471184989 1184377184 /nfs/dbraw/zinc/37/71/84/1184377184.db2.gz GSAAXJFCABCASL-CYBMUJFWSA-N 0 0 377.470 0.303 10 0 GCAERN O=C(Nc1ccnn1Cc1ccccn1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000154608517 1184425020 /nfs/dbraw/zinc/42/50/20/1184425020.db2.gz BNGWZMXBBCMMLP-OAHLLOKOSA-N 0 0 383.330 0.791 10 0 GCAERN O=C(CN1CCOCC1=O)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000547732723 1184441417 /nfs/dbraw/zinc/44/14/17/1184441417.db2.gz GGGUWPHNWRDREF-UHFFFAOYSA-N 0 0 377.422 0.638 10 0 GCAERN CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)ccc1OC ZINC000547734727 1184447666 /nfs/dbraw/zinc/44/76/66/1184447666.db2.gz JVYNYCOMUXLABE-AWEZNQCLSA-N 0 0 382.438 0.423 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000547736794 1184450766 /nfs/dbraw/zinc/45/07/66/1184450766.db2.gz WHNGMPMVXREQBJ-OXQOHEQNSA-N 0 0 384.436 0.302 10 0 GCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000547736795 1184451166 /nfs/dbraw/zinc/45/11/66/1184451166.db2.gz WHNGMPMVXREQBJ-UZLBHIALSA-N 0 0 384.436 0.302 10 0 GCAERN c1n[nH]cc1-c1nnc(N2CCN(c3cccnn3)CC2)n1C[C@@H]1CCOC1 ZINC000625163787 1184481933 /nfs/dbraw/zinc/48/19/33/1184481933.db2.gz BSIMMELWQLEMID-AWEZNQCLSA-N 0 0 381.444 0.821 10 0 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1184578161 /nfs/dbraw/zinc/57/81/61/1184578161.db2.gz FQVSHZPVKTWMEU-OKILXGFUSA-N 0 0 379.461 0.027 10 0 GCAERN CS(=O)(=O)NCC1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000510206819 1184610664 /nfs/dbraw/zinc/61/06/64/1184610664.db2.gz BZQVXCTVJCNKBD-UHFFFAOYSA-N 0 0 383.470 0.658 10 0 GCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000155329457 1184617639 /nfs/dbraw/zinc/61/76/39/1184617639.db2.gz MSCRJPBXQUPXIR-JTQLQIEISA-N 0 0 375.395 0.996 10 0 GCAERN O=C(NCc1cccc(N2CCOCC2)n1)NC[C@H]1CCCCS1(=O)=O ZINC000547809300 1184631457 /nfs/dbraw/zinc/63/14/57/1184631457.db2.gz USPLPVROQCQQBS-OAHLLOKOSA-N 0 0 382.486 0.685 10 0 GCAERN C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C[C@H](C)O1 ZINC000025130978 1184634242 /nfs/dbraw/zinc/63/42/42/1184634242.db2.gz WLHVORYNSQBZSB-STQMWFEESA-N 0 0 383.470 0.420 10 0 GCAERN COC(=O)CC1(CC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)CCCC1 ZINC000471290673 1184658150 /nfs/dbraw/zinc/65/81/50/1184658150.db2.gz BQBAZLWIWMQMOX-UHFFFAOYSA-N 0 0 399.473 0.151 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ZINC000176118354 1184759301 /nfs/dbraw/zinc/75/93/01/1184759301.db2.gz IBKBLOPRNBAMAZ-QMTHXVAHSA-N 0 0 375.351 0.624 10 0 GCAERN Cc1cc(N2CC[C@H](NC(=O)N3CC[C@](O)(C(F)(F)F)C3)C2=O)n(C)n1 ZINC000176123422 1184759360 /nfs/dbraw/zinc/75/93/60/1184759360.db2.gz JIZMQRBPTZFSSV-IINYFYTJSA-N 0 0 375.351 0.543 10 0 GCAERN Cc1ccc(CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)c(OC[C@H]2CCOC2)c1 ZINC000683570583 1184783286 /nfs/dbraw/zinc/78/32/86/1184783286.db2.gz DQSINPIJUZGJSD-GOEBONIOSA-N 0 0 397.497 0.983 10 0 GCAERN Cn1ccnc(N2CCC[C@H](NC(=O)CN3C(=O)CCc4ccccc43)C2)c1=O ZINC000275601928 1184799917 /nfs/dbraw/zinc/79/99/17/1184799917.db2.gz IIIXNIQJOBGJFO-INIZCTEOSA-N 0 0 395.463 0.845 10 0 GCAERN CC[C@H](NC(=O)N1CC[C@H](N(C)Cc2ncccn2)C1)C(=O)N1CCOCC1 ZINC000275612122 1184821185 /nfs/dbraw/zinc/82/11/85/1184821185.db2.gz ISPZAYBZMLFTFK-HOTGVXAUSA-N 0 0 390.488 0.330 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)Nc1ccc(N2CCOCC2)cn1 ZINC000683625537 1184830543 /nfs/dbraw/zinc/83/05/43/1184830543.db2.gz 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CCOC(=O)C1(O)CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000610342733 1184982761 /nfs/dbraw/zinc/98/27/61/1184982761.db2.gz KODNDQNOAZSFJP-UHFFFAOYSA-N 0 0 381.429 0.158 10 0 GCAERN CCO[C@H]1C[C@@](NC(=O)Cc2ccc(S(N)(=O)=O)cc2)(C(=O)OC)C1(C)C ZINC000548056811 1185038638 /nfs/dbraw/zinc/03/86/38/1185038638.db2.gz NRFCYANPUVESHC-KBXCAEBGSA-N 0 0 398.481 0.740 10 0 GCAERN CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)CN1CCOCC1=O ZINC000548060223 1185057558 /nfs/dbraw/zinc/05/75/58/1185057558.db2.gz BZRHQPBLJPBPNI-UHFFFAOYSA-N 0 0 383.470 0.238 10 0 GCAERN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255170542 1185073861 /nfs/dbraw/zinc/07/38/61/1185073861.db2.gz JYHBEHWDAMOUMQ-PLNGDYQASA-N 0 0 392.362 0.473 10 0 GCAERN CC(C)OCCS(=O)(=O)NCC(=O)OCC(=O)c1ccc2c(c1)OCO2 ZINC000748149313 1185082084 /nfs/dbraw/zinc/08/20/84/1185082084.db2.gz OCPNCSKNEFFAGX-UHFFFAOYSA-N 0 0 387.410 0.486 10 0 GCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000047102461 1185116770 /nfs/dbraw/zinc/11/67/70/1185116770.db2.gz GUTVGKNVZHAKPC-CVEARBPZSA-N 0 0 388.472 0.478 10 0 GCAERN O=C(NC[C@@H]1CCCS1(=O)=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000124517118 1185124191 /nfs/dbraw/zinc/12/41/91/1185124191.db2.gz FLKRLTAJHKMFPV-LBPRGKRZSA-N 0 0 391.444 0.683 10 0 GCAERN O=C(NC[C@H]1COCCO1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000580232186 1185126065 /nfs/dbraw/zinc/12/60/65/1185126065.db2.gz XCIREMSWUBOCCB-AWEZNQCLSA-N 0 0 381.454 0.188 10 0 GCAERN Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)cc21 ZINC000683870410 1185160704 /nfs/dbraw/zinc/16/07/04/1185160704.db2.gz IVFPBZFWNASZRH-IAGOWNOFSA-N 0 0 385.420 0.883 10 0 GCAERN Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cc21 ZINC000683870411 1185160953 /nfs/dbraw/zinc/16/09/53/1185160953.db2.gz IVFPBZFWNASZRH-IRXDYDNUSA-N 0 0 385.420 0.883 10 0 GCAERN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)CC1(CO)CC1 ZINC000275833977 1185169479 /nfs/dbraw/zinc/16/94/79/1185169479.db2.gz LAKGSJDTLKMGDN-UHFFFAOYSA-N 0 0 398.481 0.561 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ZINC000548104304 1185255594 /nfs/dbraw/zinc/25/55/94/1185255594.db2.gz ZQCPFDDNTGTDGV-CYBMUJFWSA-N 0 0 390.469 0.936 10 0 GCAERN CC[C@H](NC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1)c1ccncc1 ZINC000580536096 1185265765 /nfs/dbraw/zinc/26/57/65/1185265765.db2.gz KQGCETXXEWLGBC-HNNXBMFYSA-N 0 0 376.457 0.745 10 0 GCAERN C[C@@H](C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O)S(=O)(=O)c1ccc(F)cc1 ZINC000684078141 1185381466 /nfs/dbraw/zinc/38/14/66/1185381466.db2.gz DOFMSPRPSUOOHN-QFYYESIMSA-N 0 0 383.401 0.189 10 0 GCAERN COC(=O)c1cccc(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c1 ZINC000580908110 1185413904 /nfs/dbraw/zinc/41/39/04/1185413904.db2.gz PXVBZTWCCKKHFO-CVEARBPZSA-N 0 0 378.400 0.814 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)cn1C ZINC000548147106 1185428380 /nfs/dbraw/zinc/42/83/80/1185428380.db2.gz YRCFGBDDCSNMCP-HNNXBMFYSA-N 0 0 393.421 0.514 10 0 GCAERN COc1ccccc1C(=O)N1CCN(C(=O)[C@](C)(O)Cn2ccccc2=O)CC1 ZINC000684121171 1185439832 /nfs/dbraw/zinc/43/98/32/1185439832.db2.gz 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NIBDHXAUBUGVBS-WCVJEAGWSA-N 0 0 392.500 0.267 10 0 GCAERN O=C1C[C@H](c2ccccc2)N(S(=O)(=O)CCCN2CCOCC2)CCN1 ZINC000378517561 1189524960 /nfs/dbraw/zinc/52/49/60/1189524960.db2.gz FSYDUKAUSXKWTG-QGZVFWFLSA-N 0 0 381.498 0.602 10 0 GCAERN COC(=O)c1cc(NC(=O)N2CCN3CCOC[C@H]3C2)cc(C(=O)OC)c1 ZINC000363870042 1189537715 /nfs/dbraw/zinc/53/77/15/1189537715.db2.gz VIHDHGDUVFPJFY-OAHLLOKOSA-N 0 0 377.397 0.808 10 0 GCAERN O=C(c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CCN2CCOC[C@@H]2C1 ZINC000363870421 1189539922 /nfs/dbraw/zinc/53/99/22/1189539922.db2.gz VHBHNCITBMUEON-HNNXBMFYSA-N 0 0 397.472 0.767 10 0 GCAERN C[C@@]1(C2CCN(C(=O)Cn3cc(-c4ccccc4)nn3)CC2)NC(=O)NC1=O ZINC000363873909 1189540904 /nfs/dbraw/zinc/54/09/04/1189540904.db2.gz TXJKUUYQLZXJAY-IBGZPJMESA-N 0 0 382.424 0.782 10 0 GCAERN COc1ccc([C@H](NC(=O)NCCNC(=O)c2ccn[nH]2)c2nccn2C)cc1 ZINC000378592834 1189543687 /nfs/dbraw/zinc/54/36/87/1189543687.db2.gz DEBVPOWWFWZYCD-INIZCTEOSA-N 0 0 397.439 0.970 10 0 GCAERN 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CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000518026358 1195239844 /nfs/dbraw/zinc/23/98/44/1195239844.db2.gz XKCPKFODFKJXGO-SWLSCSKDSA-N 0 0 395.481 0.670 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000438726428 1195243565 /nfs/dbraw/zinc/24/35/65/1195243565.db2.gz QFTAUHOFGPMXLJ-INIZCTEOSA-N 0 0 382.420 0.821 10 0 GCAERN CCC(=O)N[C@H]1CCCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)C1 ZINC000438908942 1195266959 /nfs/dbraw/zinc/26/69/59/1195266959.db2.gz BFLQWPISJGRXDD-LBPRGKRZSA-N 0 0 387.440 0.071 10 0 GCAERN COCCn1cc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cn1 ZINC000438991110 1195275246 /nfs/dbraw/zinc/27/52/46/1195275246.db2.gz AZHGACSKSRXOHY-UHFFFAOYSA-N 0 0 384.502 0.943 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)C(=O)NCC(=O)Nc2cccc3cccnc32)n1 ZINC000439188586 1195293505 /nfs/dbraw/zinc/29/35/05/1195293505.db2.gz KMHGRNCCNTXBOP-UHFFFAOYSA-N 0 0 395.423 1.275 10 0 GCAERN C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000439202252 1195296154 /nfs/dbraw/zinc/29/61/54/1195296154.db2.gz VORWUWJYCUQKJM-CYBMUJFWSA-N 0 0 396.451 0.957 10 0 GCAERN NS(=O)(=O)CC1CCN(C(=O)C(=O)Nc2cccc3c2OCCC3)CC1 ZINC000439392815 1195314731 /nfs/dbraw/zinc/31/47/31/1195314731.db2.gz NVINJIKNOLYXMM-UHFFFAOYSA-N 0 0 381.454 0.477 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CCC[C@@H](O)C2)CC1 ZINC000439527639 1195327935 /nfs/dbraw/zinc/32/79/35/1195327935.db2.gz SAKBBQKJMDAXCC-LSDHHAIUSA-N 0 0 381.498 0.794 10 0 GCAERN CCNC(=O)CCN1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506642890 1195339968 /nfs/dbraw/zinc/33/99/68/1195339968.db2.gz MYBWYBAYUXTLNF-MRXNPFEDSA-N 0 0 376.505 0.368 10 0 GCAERN Cn1c(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc2c1n(C)c(=O)n(C)c2=O ZINC000518866619 1195340750 /nfs/dbraw/zinc/34/07/50/1195340750.db2.gz KRQPMELENFGXBI-CQSZACIVSA-N 0 0 395.419 0.111 10 0 GCAERN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439822574 1195353903 /nfs/dbraw/zinc/35/39/03/1195353903.db2.gz KBTNEXDMJPOQAX-JKSUJKDBSA-N 0 0 391.424 0.299 10 0 GCAERN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCc1ccn(C)n1 ZINC000439842872 1195358559 /nfs/dbraw/zinc/35/85/59/1195358559.db2.gz PLIGWZQJADGJOU-MRXNPFEDSA-N 0 0 385.424 0.593 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000519130145 1195373155 /nfs/dbraw/zinc/37/31/55/1195373155.db2.gz FYIBPEQSCKIQLM-MRXNPFEDSA-N 0 0 395.481 0.448 10 0 GCAERN CC(C)(C)Nc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000440027382 1195377885 /nfs/dbraw/zinc/37/78/85/1195377885.db2.gz NBFXXRROCYGTCZ-HNNXBMFYSA-N 0 0 376.457 0.935 10 0 GCAERN CN(C)Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)ccc1Cl ZINC000440029060 1195378338 /nfs/dbraw/zinc/37/83/38/1195378338.db2.gz QLEKBXYDVFXZOG-OAHLLOKOSA-N 0 0 396.875 0.440 10 0 GCAERN COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 ZINC000440050134 1195378387 /nfs/dbraw/zinc/37/83/87/1195378387.db2.gz XXDDXDGIZOLVGX-INIZCTEOSA-N 0 0 389.408 0.134 10 0 GCAERN CN(C)Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)ccc1Cl ZINC000440029059 1195378560 /nfs/dbraw/zinc/37/85/60/1195378560.db2.gz QLEKBXYDVFXZOG-HNNXBMFYSA-N 0 0 396.875 0.440 10 0 GCAERN O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N1CCC(N2CCNC2=O)CC1 ZINC000440047602 1195379855 /nfs/dbraw/zinc/37/98/55/1195379855.db2.gz DWKVRVLRKOROBI-UHFFFAOYSA-N 0 0 385.424 0.378 10 0 GCAERN O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000440084193 1195383469 /nfs/dbraw/zinc/38/34/69/1195383469.db2.gz VRCQYFCOVMQXDA-UHFFFAOYSA-N 0 0 382.424 0.429 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)N2CCN(c3cncc(C(N)=O)n3)CC2)cc1 ZINC000426572053 1195384677 /nfs/dbraw/zinc/38/46/77/1195384677.db2.gz YEYHNXCQADTXBI-UHFFFAOYSA-N 0 0 389.437 0.289 10 0 GCAERN COCC[C@@H](CO)NC(=O)C(=O)Nc1cc(-c2cccc(OC)c2)nn1C ZINC000440098679 1195384751 /nfs/dbraw/zinc/38/47/51/1195384751.db2.gz DZCBKYLLZAVFIQ-ZDUSSCGKSA-N 0 0 376.413 0.548 10 0 GCAERN Cc1nc(C)n(Cc2cccc(NC(=O)C(=O)N3CC(=O)N(C)[C@H](C)C3)c2)n1 ZINC000506786476 1195393418 /nfs/dbraw/zinc/39/34/18/1195393418.db2.gz NWHHYDPIGCFBJH-GFCCVEGCSA-N 0 0 384.440 0.571 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](CO)CC2CCCC2)c1 ZINC000440214692 1195393720 /nfs/dbraw/zinc/39/37/20/1195393720.db2.gz KQSRTKFUTRKACA-AWEZNQCLSA-N 0 0 397.497 0.838 10 0 GCAERN C([C@H]1CCCCO1)n1c([C@H]2CCOC2)nnc1N1CCN2CCOC[C@H]2C1 ZINC000550027119 1195393895 /nfs/dbraw/zinc/39/38/95/1195393895.db2.gz HNSNEYRCISTNQO-GVDBMIGSSA-N 0 0 377.489 0.872 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)n(-c2ccccc2C)n1 ZINC000440262501 1195396760 /nfs/dbraw/zinc/39/67/60/1195396760.db2.gz CAQKLNVSXWGNAN-ZDUSSCGKSA-N 0 0 391.453 0.317 10 0 GCAERN C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000440299953 1195405739 /nfs/dbraw/zinc/40/57/39/1195405739.db2.gz ASVMLVRSGNLSJK-NSHDSACASA-N 0 0 382.424 0.977 10 0 GCAERN CN(C(=O)C(=O)Nc1cccc(C(N)=O)n1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000440340077 1195410513 /nfs/dbraw/zinc/41/05/13/1195410513.db2.gz NJRKROJXAMUEAM-CQSZACIVSA-N 0 0 399.382 0.522 10 0 GCAERN C[C@H]1CN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CCN1CCO ZINC000187692582 1195420012 /nfs/dbraw/zinc/42/00/12/1195420012.db2.gz VQFKQJVFAMOZIG-AWEZNQCLSA-N 0 0 382.892 0.735 10 0 GCAERN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ncccc2O)cc1 ZINC000473631484 1195425326 /nfs/dbraw/zinc/42/53/26/1195425326.db2.gz SBDSIDZSHCDYDN-NSHDSACASA-N 0 0 392.437 0.729 10 0 GCAERN CC(C)(CNC(=O)c1cn2cccnc2n1)CNC(=O)c1cn2cccnc2n1 ZINC000110868395 1195431794 /nfs/dbraw/zinc/43/17/94/1195431794.db2.gz LCIOLRMXDPOGDS-UHFFFAOYSA-N 0 0 392.423 0.958 10 0 GCAERN CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000473685942 1195441340 /nfs/dbraw/zinc/44/13/40/1195441340.db2.gz KGGYILKTGFKPEF-CQSZACIVSA-N 0 0 384.458 0.553 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](COC)c2ccc(C)o2)c1 ZINC000473697073 1195444451 /nfs/dbraw/zinc/44/44/51/1195444451.db2.gz HZDLDGXLZADUND-AWEZNQCLSA-N 0 0 395.437 0.939 10 0 GCAERN Cc1noc(CN2CCN(S(=O)(=O)c3cnc4c(c3)c(C)nn4C)CC2)n1 ZINC000101572200 1195444945 /nfs/dbraw/zinc/44/49/45/1195444945.db2.gz LSXLKPJLQKPOKG-UHFFFAOYSA-N 0 0 391.457 0.475 10 0 GCAERN CCOC(=O)C(C)(C)n1cc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cn1 ZINC000473710673 1195447697 /nfs/dbraw/zinc/44/76/97/1195447697.db2.gz BBLULNCJXPVCFI-CYBMUJFWSA-N 0 0 381.433 0.286 10 0 GCAERN CN(C)c1nnc(-c2ccc(NC(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)o1 ZINC000473719148 1195448399 /nfs/dbraw/zinc/44/83/99/1195448399.db2.gz FKVDENYYUNQWQV-CQSZACIVSA-N 0 0 388.428 0.907 10 0 GCAERN O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)C(=O)N1CC[C@@H](O)C1 ZINC000473714256 1195448849 /nfs/dbraw/zinc/44/88/49/1195448849.db2.gz QAWORYGXEKBZGM-ZIAGYGMSSA-N 0 0 382.438 0.171 10 0 GCAERN COCCOc1ccc(CNC(=O)C(=O)NCc2nnc3ccccn32)cn1 ZINC000550192399 1195457290 /nfs/dbraw/zinc/45/72/90/1195457290.db2.gz BMUYVAUGBWPTIU-UHFFFAOYSA-N 0 0 384.396 0.082 10 0 GCAERN COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cn1 ZINC000550185890 1195457472 /nfs/dbraw/zinc/45/74/72/1195457472.db2.gz CNLBTSWVHDHNBK-UHFFFAOYSA-N 0 0 388.468 0.958 10 0 GCAERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1nnc2ccccn21 ZINC000550185583 1195457737 /nfs/dbraw/zinc/45/77/37/1195457737.db2.gz XHJUWTIEGGUWOQ-CABCVRRESA-N 0 0 391.435 0.926 10 0 GCAERN O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)N[C@@H]1CCCN(CCO)C1=O ZINC000473777654 1195460800 /nfs/dbraw/zinc/46/08/00/1195460800.db2.gz WPROFVRQBTYVJW-MRXNPFEDSA-N 0 0 395.423 0.920 10 0 GCAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000329903160 1195463613 /nfs/dbraw/zinc/46/36/13/1195463613.db2.gz PZGUNMDULXPIRV-CQSZACIVSA-N 0 0 390.465 0.423 10 0 GCAERN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C(=O)N[C@H]1CNC(=O)C1 ZINC000440468157 1195464227 /nfs/dbraw/zinc/46/42/27/1195464227.db2.gz IEBNRCHZGOIXBK-CQSZACIVSA-N 0 0 382.424 0.615 10 0 GCAERN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000550225983 1195465533 /nfs/dbraw/zinc/46/55/33/1195465533.db2.gz BMQKLMVDAHGPMG-INIZCTEOSA-N 0 0 381.498 0.964 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 ZINC000473813736 1195468705 /nfs/dbraw/zinc/46/87/05/1195468705.db2.gz VJSIJQKVLDFUSI-UKRRQHHQSA-N 0 0 387.440 0.817 10 0 GCAERN CNC(=O)CCN(C)C(=O)C(=O)N[C@@H](c1nccn1C)c1ccc(OC)cc1 ZINC000550258345 1195472010 /nfs/dbraw/zinc/47/20/10/1195472010.db2.gz GPTZIRMRZITSNG-MRXNPFEDSA-N 0 0 387.440 0.229 10 0 GCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000473848211 1195475679 /nfs/dbraw/zinc/47/56/79/1195475679.db2.gz QEIGFJYJUZDOSQ-MFKMUULPSA-N 0 0 396.473 0.917 10 0 GCAERN CN(CC(=O)NCC(=O)NC(C)(C)C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000112359898 1195478051 /nfs/dbraw/zinc/47/80/51/1195478051.db2.gz UMLRFUQRBCYYKU-HNNXBMFYSA-N 0 0 378.448 0.894 10 0 GCAERN COCCn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)N(C)CC1CC1 ZINC000506947392 1195481359 /nfs/dbraw/zinc/48/13/59/1195481359.db2.gz XGBHCFHVUWGWED-UHFFFAOYSA-N 0 0 393.469 0.629 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000487382301 1195539057 /nfs/dbraw/zinc/53/90/57/1195539057.db2.gz VWFAEZZFXHILMF-NEPJUHHUSA-N 0 0 399.469 0.404 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)NCCCN2CCCC2=O)CC12CCCCC2 ZINC000550301983 1195554591 /nfs/dbraw/zinc/55/45/91/1195554591.db2.gz MBRFRWVZMMGGFA-UHFFFAOYSA-N 0 0 392.500 0.509 10 0 GCAERN Cc1c(NC(=O)C(=O)N[C@@H]2CCCc3nn(C)cc32)cccc1-n1cnnn1 ZINC000519704145 1195563913 /nfs/dbraw/zinc/56/39/13/1195563913.db2.gz CMKAJEZOHMCSQE-CQSZACIVSA-N 0 0 380.412 0.837 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)[C@H](C)C1 ZINC000440578645 1195564119 /nfs/dbraw/zinc/56/41/19/1195564119.db2.gz WLURTOZHGSDDQF-SNVBAGLBSA-N 0 0 389.391 0.128 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000440580578 1195564167 /nfs/dbraw/zinc/56/41/67/1195564167.db2.gz BQJXBGKKFBZSGQ-LBPRGKRZSA-N 0 0 381.454 0.249 10 0 GCAERN COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000440567963 1195564638 /nfs/dbraw/zinc/56/46/38/1195564638.db2.gz JBZHRRALQCTCPS-GFCCVEGCSA-N 0 0 390.440 0.415 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000440567404 1195565060 /nfs/dbraw/zinc/56/50/60/1195565060.db2.gz USAOEERWJKMHNV-LBPRGKRZSA-N 0 0 381.454 0.249 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)[C@H](C)C1 ZINC000440570583 1195565074 /nfs/dbraw/zinc/56/50/74/1195565074.db2.gz IXWLJJGFJDUMSW-CYBMUJFWSA-N 0 0 390.440 0.171 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)nn2Cc2ccccn2)[C@H](C)C1 ZINC000440573486 1195565476 /nfs/dbraw/zinc/56/54/76/1195565476.db2.gz BQEILRJNPZULAX-CQSZACIVSA-N 0 0 384.440 0.653 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)[C@@H](C)C1 ZINC000440588165 1195566856 /nfs/dbraw/zinc/56/68/56/1195566856.db2.gz JVVUJNJRICHPHA-LBPRGKRZSA-N 0 0 381.454 0.249 10 0 GCAERN Cc1oc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1S(=O)(=O)N(C)C ZINC000440609533 1195567856 /nfs/dbraw/zinc/56/78/56/1195567856.db2.gz KSDHEDBQLNEKCD-CYBMUJFWSA-N 0 0 399.469 0.348 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4)CC2)[nH]1 ZINC000440756992 1195579355 /nfs/dbraw/zinc/57/93/55/1195579355.db2.gz NZKZUFQOKLGZBL-UHFFFAOYSA-N 0 0 397.439 0.281 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cccc(-n4cccn4)c3)CC2)[nH]1 ZINC000440757974 1195579812 /nfs/dbraw/zinc/57/98/12/1195579812.db2.gz YJTBYTRTWHPAFB-UHFFFAOYSA-N 0 0 394.439 0.582 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cnc4c(c3)CCCC4)CC2)[nH]1 ZINC000440757298 1195579884 /nfs/dbraw/zinc/57/98/84/1195579884.db2.gz OMWWLOQMCRRKRB-UHFFFAOYSA-N 0 0 383.456 0.670 10 0 GCAERN CCC(=O)c1cccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)c1 ZINC000440751106 1195580279 /nfs/dbraw/zinc/58/02/79/1195580279.db2.gz VRZBXGUCIMZNSW-UHFFFAOYSA-N 0 0 384.440 0.989 10 0 GCAERN CCCCn1ncc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)c1C ZINC000440748785 1195580332 /nfs/dbraw/zinc/58/03/32/1195580332.db2.gz PEIFICPHIOEUST-UHFFFAOYSA-N 0 0 388.476 0.701 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccccc3-n3cccn3)CC2)[nH]1 ZINC000440754795 1195581139 /nfs/dbraw/zinc/58/11/39/1195581139.db2.gz RWLFIRBHXSEYEN-UHFFFAOYSA-N 0 0 394.439 0.582 10 0 GCAERN CC(=O)N(Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)N=NC3C2)cc1)C1CC1 ZINC000440770024 1195581184 /nfs/dbraw/zinc/58/11/84/1195581184.db2.gz HALMIZWUTCUELB-UHFFFAOYSA-N 0 0 398.423 0.476 10 0 GCAERN COc1ccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)cc1F ZINC000440763192 1195582204 /nfs/dbraw/zinc/58/22/04/1195582204.db2.gz RGHROEFCMQDVGG-UHFFFAOYSA-N 0 0 376.392 0.544 10 0 GCAERN COc1cc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)cc(OC)c1 ZINC000440765738 1195582482 /nfs/dbraw/zinc/58/24/82/1195582482.db2.gz WYCXGMXASHZQCU-UHFFFAOYSA-N 0 0 388.428 0.413 10 0 GCAERN CS(=O)(=O)c1ccc(F)c(NC(=O)Cn2c(=O)onc2-c2ncccn2)c1 ZINC000440861040 1195586089 /nfs/dbraw/zinc/58/60/89/1195586089.db2.gz QAAPVZAJMGDJDE-UHFFFAOYSA-N 0 0 393.356 0.475 10 0 GCAERN CCO[C@@H]1C[C@](NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)(C(=O)OC)C1(C)C ZINC000440842759 1195586107 /nfs/dbraw/zinc/58/61/07/1195586107.db2.gz FQFHCJIHXNMDPJ-LPMFXHHGSA-N 0 0 394.472 0.766 10 0 GCAERN CCO[C@@H]1C[C@](NC(=O)CN2C(=O)NC(CC)(CC)C2=O)(C(=O)OC)C1(C)C ZINC000440864544 1195586618 /nfs/dbraw/zinc/58/66/18/1195586618.db2.gz FPSKWGASYAIHAJ-BLVKFPJESA-N 0 0 397.472 0.960 10 0 GCAERN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1CN(C)CCCO ZINC000440964106 1195591406 /nfs/dbraw/zinc/59/14/06/1195591406.db2.gz XDKJCYYIJRTWMH-UHFFFAOYSA-N 0 0 396.513 0.891 10 0 GCAERN CC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1Cl ZINC000440979910 1195593976 /nfs/dbraw/zinc/59/39/76/1195593976.db2.gz DEAGFAHMZFDSRW-AWEZNQCLSA-N 0 0 397.859 0.633 10 0 GCAERN COCCNC(=O)Cn1cc(NC(=O)NCCc2cccc(OC)n2)cn1 ZINC000441111438 1195603750 /nfs/dbraw/zinc/60/37/50/1195603750.db2.gz BNEVLVLDTKWBPL-UHFFFAOYSA-N 0 0 376.417 0.414 10 0 GCAERN CCc1nc(C(C)(C)NCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)no1 ZINC000441250205 1195616087 /nfs/dbraw/zinc/61/60/87/1195616087.db2.gz DULPBBWHKGOBNZ-UHFFFAOYSA-N 0 0 393.469 0.693 10 0 GCAERN CCc1nc(C(C)(C)NCC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)no1 ZINC000441280702 1195619086 /nfs/dbraw/zinc/61/90/86/1195619086.db2.gz SQTRPABCHPFXKV-LBPRGKRZSA-N 0 0 388.490 0.119 10 0 GCAERN CCc1nc(C(C)(C)NCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)no1 ZINC000441275446 1195619468 /nfs/dbraw/zinc/61/94/68/1195619468.db2.gz HOMAFVBDJHQPDI-UHFFFAOYSA-N 0 0 394.520 0.516 10 0 GCAERN O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)C(=O)N1CC(n2ccnn2)C1 ZINC000441307389 1195620799 /nfs/dbraw/zinc/62/07/99/1195620799.db2.gz YPJMOBFOKSMUDG-UHFFFAOYSA-N 0 0 389.379 0.429 10 0 GCAERN CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000441334134 1195622694 /nfs/dbraw/zinc/62/26/94/1195622694.db2.gz CDVKHLUAMWIJON-OAHLLOKOSA-N 0 0 392.330 0.997 10 0 GCAERN Cc1cc(C)n(CCCNC(=O)C(=O)N2CCCN(c3cccnn3)CC2)n1 ZINC000550347910 1195638172 /nfs/dbraw/zinc/63/81/72/1195638172.db2.gz AXFSFUJPYFLBOA-UHFFFAOYSA-N 0 0 385.472 0.535 10 0 GCAERN CCOC(=O)C[C@@H](C)CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000536273226 1195641228 /nfs/dbraw/zinc/64/12/28/1195641228.db2.gz YPBVJWVSJFOZHK-OAHLLOKOSA-N 0 0 382.505 0.819 10 0 GCAERN C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000051181186 1195653046 /nfs/dbraw/zinc/65/30/46/1195653046.db2.gz HPEAWNLUSFXDOD-KRWDZBQOSA-N 0 0 399.539 0.450 10 0 GCAERN COC(=O)CNC(=O)c1ccc(NC(=O)N2CCSC[C@H]2CCO)cc1 ZINC000473968850 1195655077 /nfs/dbraw/zinc/65/50/77/1195655077.db2.gz UMWRVBPYKPWZAJ-CQSZACIVSA-N 0 0 381.454 0.921 10 0 GCAERN C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)C[C@@H](C)O1 ZINC000328746371 1195663078 /nfs/dbraw/zinc/66/30/78/1195663078.db2.gz PTIAVXVFLAVNGT-OAGGEKHMSA-N 0 0 397.497 0.610 10 0 GCAERN CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000328779187 1195667157 /nfs/dbraw/zinc/66/71/57/1195667157.db2.gz MAWQTGWRHWHHSR-QGZVFWFLSA-N 0 0 393.532 0.537 10 0 GCAERN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NCCc1ccccc1O ZINC000441427808 1195675940 /nfs/dbraw/zinc/67/59/40/1195675940.db2.gz ZCKIAGJVOFHCGD-UHFFFAOYSA-N 0 0 392.423 0.929 10 0 GCAERN CCN1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000328965783 1195682896 /nfs/dbraw/zinc/68/28/96/1195682896.db2.gz MOEBGHYFQLDWRA-INIZCTEOSA-N 0 0 381.498 0.922 10 0 GCAERN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C)[C@@H](C)CO)cc2)CC1 ZINC000330464682 1195689045 /nfs/dbraw/zinc/68/90/45/1195689045.db2.gz DZMNHYVMDKFZJC-UONOGXRCSA-N 0 0 397.497 0.286 10 0 GCAERN CC[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccnc2)CCN1CC(F)F ZINC000125683112 1195704574 /nfs/dbraw/zinc/70/45/74/1195704574.db2.gz ISZFLVWYSPPFHF-ZDUSSCGKSA-N 0 0 390.456 0.890 10 0 GCAERN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188720110 1195737258 /nfs/dbraw/zinc/73/72/58/1195737258.db2.gz UAMSBWWFBKLSGL-CXAGYDPISA-N 0 0 376.436 0.429 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000507751972 1195737895 /nfs/dbraw/zinc/73/78/95/1195737895.db2.gz DFCUTHXWDUDBME-GOEBONIOSA-N 0 0 388.468 0.929 10 0 GCAERN Cn1ncc2c1ncn(CC(=O)NCCc1nc(-c3ccccc3)n[nH]1)c2=O ZINC000189782473 1195752896 /nfs/dbraw/zinc/75/28/96/1195752896.db2.gz YRRSEMLFZFMKGN-UHFFFAOYSA-N 0 0 378.396 0.274 10 0 GCAERN Cc1cccc(Cn2nccc2NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000190038398 1195755809 /nfs/dbraw/zinc/75/58/09/1195755809.db2.gz PRAVGJABHGRVIR-INIZCTEOSA-N 0 0 385.468 0.703 10 0 GCAERN Cc1cccc(Cn2nccc2NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000190038377 1195756057 /nfs/dbraw/zinc/75/60/57/1195756057.db2.gz PRAVGJABHGRVIR-MRXNPFEDSA-N 0 0 385.468 0.703 10 0 GCAERN COc1cccc(CCNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)n1 ZINC000441481291 1195756562 /nfs/dbraw/zinc/75/65/62/1195756562.db2.gz WSFNLHLTYUUSFN-UHFFFAOYSA-N 0 0 384.440 0.658 10 0 GCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2F)CCN1CCO ZINC000190047324 1195756714 /nfs/dbraw/zinc/75/67/14/1195756714.db2.gz ZCBSYYNEXYHGPM-CQSZACIVSA-N 0 0 389.431 0.534 10 0 GCAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000190046961 1195756726 /nfs/dbraw/zinc/75/67/26/1195756726.db2.gz KVNHHCKSXOAQAL-CQSZACIVSA-N 0 0 385.468 0.953 10 0 GCAERN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000536411869 1195763327 /nfs/dbraw/zinc/76/33/27/1195763327.db2.gz QTSSJJDJPWTWKM-QWHCGFSZSA-N 0 0 397.453 0.355 10 0 GCAERN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NCCc1ncn(C)n1 ZINC000536412547 1195763432 /nfs/dbraw/zinc/76/34/32/1195763432.db2.gz PFQSNDLCPPSWFH-UHFFFAOYSA-N 0 0 379.442 0.693 10 0 GCAERN Cn1c(N)c(C(=O)CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(=O)n(C)c1=O ZINC000190211889 1195766566 /nfs/dbraw/zinc/76/65/66/1195766566.db2.gz UFXSUQNWUANBJY-SNVBAGLBSA-N 0 0 376.379 0.759 10 0 GCAERN COCCOC1CN(C(=O)C(=O)Nc2cc(-c3cccc(OC)c3)nn2C)C1 ZINC000441502629 1195769046 /nfs/dbraw/zinc/76/90/46/1195769046.db2.gz QQROJXUURRFNQH-UHFFFAOYSA-N 0 0 388.424 0.908 10 0 GCAERN Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181280721 1195774021 /nfs/dbraw/zinc/77/40/21/1195774021.db2.gz QFHLUFYVNANHHJ-LLVKDONJSA-N 0 0 381.502 0.987 10 0 GCAERN CCS(=O)(=O)CCN(C)C(=O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000760039293 1195786227 /nfs/dbraw/zinc/78/62/27/1195786227.db2.gz WKIPPTBVEIWHKZ-UHFFFAOYSA-N 0 0 384.498 0.955 10 0 GCAERN CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)c1 ZINC000441646760 1195806817 /nfs/dbraw/zinc/80/68/17/1195806817.db2.gz RTZVYXXRRWFQFD-UHFFFAOYSA-N 0 0 390.440 0.081 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000441651539 1195808222 /nfs/dbraw/zinc/80/82/22/1195808222.db2.gz MPAOPDJSAYBIBR-UHFFFAOYSA-N 0 0 375.425 0.924 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cnn([C@H](C)C3CC3)c2)CC1 ZINC000441662411 1195813017 /nfs/dbraw/zinc/81/30/17/1195813017.db2.gz CAFWUQMUBBZFPU-CYBMUJFWSA-N 0 0 391.472 0.888 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)CC1 ZINC000441670688 1195813752 /nfs/dbraw/zinc/81/37/52/1195813752.db2.gz WMIQWCMBNNVHGV-UHFFFAOYSA-N 0 0 399.451 0.907 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccccc2N(C)C)CC1 ZINC000441679234 1195815803 /nfs/dbraw/zinc/81/58/03/1195815803.db2.gz WTHOCFVIOKPZDO-UHFFFAOYSA-N 0 0 376.457 0.787 10 0 GCAERN COCc1cccc(NC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)c1 ZINC000441680902 1195816450 /nfs/dbraw/zinc/81/64/50/1195816450.db2.gz VDVUUOVXCALLPT-UHFFFAOYSA-N 0 0 377.441 0.867 10 0 GCAERN CCCc1cc(NC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)n(C)n1 ZINC000441677234 1195816570 /nfs/dbraw/zinc/81/65/70/1195816570.db2.gz KLDTYVFHXNWVCB-UHFFFAOYSA-N 0 0 379.461 0.407 10 0 GCAERN COC(=O)c1sccc1NC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000441677238 1195816734 /nfs/dbraw/zinc/81/67/34/1195816734.db2.gz KMLAWQBBSYFSBH-UHFFFAOYSA-N 0 0 397.453 0.569 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)NCCCN3C(=O)CCC3=O)c2)n1 ZINC000441773061 1195843058 /nfs/dbraw/zinc/84/30/58/1195843058.db2.gz DYTDUINZYAHMRC-UHFFFAOYSA-N 0 0 385.428 0.994 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)N(CC)Cc1ccccc1 ZINC000487402413 1195856574 /nfs/dbraw/zinc/85/65/74/1195856574.db2.gz QSKLODQYPXEZIW-KBPBESRZSA-N 0 0 385.486 0.799 10 0 GCAERN CNC(=O)[C@@H]1CN(C(=O)NCCN2CCc3c(Cl)cccc3C2)CCO1 ZINC000190866051 1195881922 /nfs/dbraw/zinc/88/19/22/1195881922.db2.gz SERABXSSYVHONX-INIZCTEOSA-N 0 0 380.876 0.855 10 0 GCAERN Cc1ccccc1Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C ZINC000508130479 1195900780 /nfs/dbraw/zinc/90/07/80/1195900780.db2.gz LKUDBOZNGOVJSR-UHFFFAOYSA-N 0 0 384.484 0.888 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccnc3C)CC2)c1 ZINC000508349388 1195921211 /nfs/dbraw/zinc/92/12/11/1195921211.db2.gz OOSNWRPVQJGHSW-UHFFFAOYSA-N 0 0 375.454 0.656 10 0 GCAERN CCOCCN1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000441882119 1195928340 /nfs/dbraw/zinc/92/83/40/1195928340.db2.gz JSCXPQNTRYFPDY-UHFFFAOYSA-N 0 0 387.477 0.822 10 0 GCAERN Cn1nc2c(cc1=O)CN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)CC2 ZINC000441893344 1195928898 /nfs/dbraw/zinc/92/88/98/1195928898.db2.gz UUWZQADXEXGEGL-UHFFFAOYSA-N 0 0 394.428 0.320 10 0 GCAERN CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000441895943 1195930707 /nfs/dbraw/zinc/93/07/07/1195930707.db2.gz YLLBRRBHFVGMGW-HNNXBMFYSA-N 0 0 383.445 0.911 10 0 GCAERN CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCSC[C@H]3CCO)ccc21 ZINC000442056755 1195947175 /nfs/dbraw/zinc/94/71/75/1195947175.db2.gz LMDWOOIOSBCYSS-OAHLLOKOSA-N 0 0 377.466 0.861 10 0 GCAERN Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)c1 ZINC000442061554 1195947649 /nfs/dbraw/zinc/94/76/49/1195947649.db2.gz SGRPKTSCAOYTRP-CQSZACIVSA-N 0 0 376.442 0.236 10 0 GCAERN O=C(Nc1ccccc1CN1CCNC1=O)C(=O)N1CCSC[C@@H]1CCO ZINC000442045257 1195948784 /nfs/dbraw/zinc/94/87/84/1195948784.db2.gz COFPMKRGCXYZOP-AWEZNQCLSA-N 0 0 392.481 0.477 10 0 GCAERN COc1cc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cc(OC)c1OC ZINC000442050455 1195949625 /nfs/dbraw/zinc/94/96/25/1195949625.db2.gz CHFKZXMOYXAOPI-GFCCVEGCSA-N 0 0 384.454 0.977 10 0 GCAERN C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCSC[C@H]3CCO)cc2NC1=O ZINC000442078111 1195950045 /nfs/dbraw/zinc/95/00/45/1195950045.db2.gz JRABBOJOYVDBLR-CMPLNLGQSA-N 0 0 379.438 0.671 10 0 GCAERN COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000442064833 1195951204 /nfs/dbraw/zinc/95/12/04/1195951204.db2.gz YEIKOBPGPYUTFT-CYBMUJFWSA-N 0 0 381.454 0.919 10 0 GCAERN COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000442107277 1195954269 /nfs/dbraw/zinc/95/42/69/1195954269.db2.gz IBOKSLPJEQLFBV-CYBMUJFWSA-N 0 0 395.481 0.662 10 0 GCAERN Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)ccc1F ZINC000442107913 1195954307 /nfs/dbraw/zinc/95/43/07/1195954307.db2.gz JOAKECBWAASQKL-LBPRGKRZSA-N 0 0 394.432 0.375 10 0 GCAERN O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)C(=O)Nc1cccc2c1OCCC2 ZINC000442115016 1195954561 /nfs/dbraw/zinc/95/45/61/1195954561.db2.gz PPAWLAUWQLRLCC-HXPMCKFVSA-N 0 0 386.408 0.445 10 0 GCAERN CCO[C@@H]1COCC[C@H]1NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000760054774 1195954693 /nfs/dbraw/zinc/95/46/93/1195954693.db2.gz ZDRVUQNIOZSJFX-QLFBSQMISA-N 0 0 399.488 0.812 10 0 GCAERN CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)c1 ZINC000442110782 1195954921 /nfs/dbraw/zinc/95/49/21/1195954921.db2.gz NBAWEUDZSGXDSS-CQSZACIVSA-N 0 0 390.469 0.625 10 0 GCAERN COC(=O)COc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)c(C)c1 ZINC000442105414 1195956634 /nfs/dbraw/zinc/95/66/34/1195956634.db2.gz DFPVGGSNOZCIJA-CYBMUJFWSA-N 0 0 396.465 0.812 10 0 GCAERN CN(C)C(=O)Cn1cnc(NC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)n1 ZINC000442225420 1195963238 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CC(C)Oc1ncc(Cl)cc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000453770389 1197129947 /nfs/dbraw/zinc/12/99/47/1197129947.db2.gz TWXBBNDIWFJHCN-GFCCVEGCSA-N 0 0 398.847 0.560 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(C)=O)cc2)CC12COC2 ZINC000453800690 1197132250 /nfs/dbraw/zinc/13/22/50/1197132250.db2.gz LBVYKZLEGKFADX-OAHLLOKOSA-N 0 0 389.408 0.622 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)c(OC)c2)CC12COC2 ZINC000453789655 1197132847 /nfs/dbraw/zinc/13/28/47/1197132847.db2.gz ALBKDCJXGJRVMU-ZDUSSCGKSA-N 0 0 392.408 0.680 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccsc2C(=O)OC)CC12COC2 ZINC000453800722 1197132852 /nfs/dbraw/zinc/13/28/52/1197132852.db2.gz LLJYSHKMPFNVET-SNVBAGLBSA-N 0 0 396.421 0.511 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3ccnc3)c2)CC12COC2 ZINC000453794315 1197133163 /nfs/dbraw/zinc/13/31/63/1197133163.db2.gz FKTWQMNLPWFKBV-INIZCTEOSA-N 0 0 398.419 0.849 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2nc(C3CC3)cs2)CC12COC2 ZINC000453794330 1197133199 /nfs/dbraw/zinc/13/31/99/1197133199.db2.gz FMDLQNJGNCVVNG-LLVKDONJSA-N 0 0 379.438 0.997 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(OC)cc2OC)CC12COC2 ZINC000453796761 1197133761 /nfs/dbraw/zinc/13/37/61/1197133761.db2.gz IDRKVXFXQZLZPJ-CYBMUJFWSA-N 0 0 392.408 0.680 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)CC12COC2 ZINC000453799481 1197134128 /nfs/dbraw/zinc/13/41/28/1197134128.db2.gz JULMAVQFMXRKQE-INIZCTEOSA-N 0 0 398.419 0.849 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)CC12COC2 ZINC000453802220 1197137591 /nfs/dbraw/zinc/13/75/91/1197137591.db2.gz NATCNCQNXIAEGH-ZDUSSCGKSA-N 0 0 390.440 0.751 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)cc2C)CC12COC2 ZINC000453804241 1197137909 /nfs/dbraw/zinc/13/79/09/1197137909.db2.gz PSCYEHDXAKWZKG-AWEZNQCLSA-N 0 0 376.409 0.980 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccnc2OC(C)C)CC12COC2 ZINC000453802405 1197137976 /nfs/dbraw/zinc/13/79/76/1197137976.db2.gz NHPSOWBWKXEVJF-CYBMUJFWSA-N 0 0 391.424 0.845 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(C)c3nccn3c2)CC12COC2 ZINC000453804221 1197137992 /nfs/dbraw/zinc/13/79/92/1197137992.db2.gz PQJWWQKORCCAMD-AWEZNQCLSA-N 0 0 386.408 0.619 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(F)F)c2)CC12COC2 ZINC000453804208 1197138036 /nfs/dbraw/zinc/13/80/36/1197138036.db2.gz PPLXVYPHXDRQDM-LLVKDONJSA-N 0 0 386.355 0.125 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(C)C)c2)CC12COC2 ZINC000453801353 1197138159 /nfs/dbraw/zinc/13/81/59/1197138159.db2.gz MAMKPQYRYSRQBF-AWEZNQCLSA-N 0 0 378.429 0.516 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnc([C@@H](C)CC)nc2)CC12COC2 ZINC000453804748 1197138441 /nfs/dbraw/zinc/13/84/41/1197138441.db2.gz QGQNOXQTCBOGNT-JSGCOSHPSA-N 0 0 390.440 0.967 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(OC)cc(OC)c2)CC12COC2 ZINC000453805963 1197138535 /nfs/dbraw/zinc/13/85/35/1197138535.db2.gz RZAJVRKXRIBMMG-OAHLLOKOSA-N 0 0 392.408 0.680 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2nc3c(s2)CCCC3)CC12COC2 ZINC000453803379 1197138554 /nfs/dbraw/zinc/13/85/54/1197138554.db2.gz OCTWXLPCNFEFQP-NSHDSACASA-N 0 0 393.465 0.999 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC12COC2 ZINC000453805444 1197138908 /nfs/dbraw/zinc/13/89/08/1197138908.db2.gz RJHXRAUHODQZAM-PGGUUEOZSA-N 0 0 394.449 0.401 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3nccnc3c2)CC12COC2 ZINC000453806939 1197139244 /nfs/dbraw/zinc/13/92/44/1197139244.db2.gz UARFERZFMNFITA-CYBMUJFWSA-N 0 0 384.392 0.606 10 0 GCAERN CN(Cc1nnnn1C)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000532314553 1197140503 /nfs/dbraw/zinc/14/05/03/1197140503.db2.gz JGOZUMYLQRZWBI-HNNXBMFYSA-N 0 0 377.424 0.564 10 0 GCAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000171733349 1197158839 /nfs/dbraw/zinc/15/88/39/1197158839.db2.gz XIPZSZATRODEMY-OAHLLOKOSA-N 0 0 397.483 0.762 10 0 GCAERN CN1CCN(C(=O)CCNC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000172199343 1197159126 /nfs/dbraw/zinc/15/91/26/1197159126.db2.gz RYMUMJDKUYSWCO-CQSZACIVSA-N 0 0 394.422 0.598 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](O)[C@H](C)C2)C1 ZINC000364304091 1197172520 /nfs/dbraw/zinc/17/25/20/1197172520.db2.gz BOIUMILJSKUGBW-UGFHNGPFSA-N 0 0 385.486 0.921 10 0 GCAERN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172361529 1197172572 /nfs/dbraw/zinc/17/25/72/1197172572.db2.gz CUFFQGUNDQQKPC-UUVAVEHKSA-N 0 0 385.468 0.997 10 0 GCAERN O=C(Nc1ccc2c(c1F)CCNC2=O)C(=O)N[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000453922304 1197177107 /nfs/dbraw/zinc/17/71/07/1197177107.db2.gz MEIVGIXAVLZNCZ-WMLDXEAASA-N 0 0 389.427 0.963 10 0 GCAERN Cn1cc(N2CCN(C(=O)CN3CCN(Cc4ccccc4)CC3)CC2)cn1 ZINC000173672433 1197178420 /nfs/dbraw/zinc/17/84/20/1197178420.db2.gz RETKNQJUGXNKHI-UHFFFAOYSA-N 0 0 382.512 0.887 10 0 GCAERN CC(C)c1cc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)nn1C(C)(C)C ZINC000174408323 1197181179 /nfs/dbraw/zinc/18/11/79/1197181179.db2.gz FMEWSRAXRBFWOD-UHFFFAOYSA-N 0 0 385.534 0.808 10 0 GCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CCN(C(=O)c4ccccn4)CC3)C2)cn1 ZINC000175710262 1197184493 /nfs/dbraw/zinc/18/44/93/1197184493.db2.gz GCPVGNPMCDXNPX-INIZCTEOSA-N 0 0 397.483 0.952 10 0 GCAERN Cn1ccnc1CN1CCC(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000177174035 1197188863 /nfs/dbraw/zinc/18/88/63/1197188863.db2.gz RKOTUTZNASQMCE-CVEARBPZSA-N 0 0 397.545 0.466 10 0 GCAERN O=C(NCCc1cc(F)ccc1F)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000177096594 1197188991 /nfs/dbraw/zinc/18/89/91/1197188991.db2.gz SZTWTUBNUJKDHD-GXTWGEPZSA-N 0 0 386.420 0.659 10 0 GCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CCN(c4cnn(C)c4)C(=O)C3)C2)cn1 ZINC000177561418 1197191005 /nfs/dbraw/zinc/19/10/05/1197191005.db2.gz ZWOGNVFRKIDXRH-CQSZACIVSA-N 0 0 386.460 0.181 10 0 GCAERN Cn1cc(CNC(=O)NCC2CCN(S(C)(=O)=O)CC2)c(C(F)(F)F)n1 ZINC000178738394 1197194753 /nfs/dbraw/zinc/19/47/53/1197194753.db2.gz CZZRDUFQUWTAAG-UHFFFAOYSA-N 0 0 397.423 0.910 10 0 GCAERN CN(C)S(=O)(=O)c1cc(C(=O)NCc2cccnc2-n2ccnc2)n(C)c1 ZINC000180249176 1197201071 /nfs/dbraw/zinc/20/10/71/1197201071.db2.gz YHKHQQRLDCVOAB-UHFFFAOYSA-N 0 0 388.453 0.786 10 0 GCAERN CCCN(C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000180651497 1197201650 /nfs/dbraw/zinc/20/16/50/1197201650.db2.gz SSPGGOYTZCWDNJ-LSDHHAIUSA-N 0 0 383.518 0.998 10 0 GCAERN O=C(NCCNC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)c1ccn[nH]1 ZINC000180942589 1197202950 /nfs/dbraw/zinc/20/29/50/1197202950.db2.gz ADGIBFWQRLZPBW-NSHDSACASA-N 0 0 377.351 0.587 10 0 GCAERN NC(=O)Cn1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)nn1 ZINC000181338401 1197204223 /nfs/dbraw/zinc/20/42/23/1197204223.db2.gz ZRWUYNDQMUWJKE-CYBMUJFWSA-N 0 0 380.412 0.568 10 0 GCAERN O=C(NCCNC(=O)c1ccn[nH]1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000181679147 1197205306 /nfs/dbraw/zinc/20/53/06/1197205306.db2.gz WIUFJGJGGPRNQU-LLVKDONJSA-N 0 0 377.836 0.766 10 0 GCAERN NC(=O)[C@@H]1Cc2ccccc2N1CC(O)CN1c2ccccc2C[C@H]1C(N)=O ZINC000181802733 1197205834 /nfs/dbraw/zinc/20/58/34/1197205834.db2.gz LBWFXVDMKWEHMZ-OALUTQOASA-N 0 0 380.448 0.181 10 0 GCAERN O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000183132105 1197207979 /nfs/dbraw/zinc/20/79/79/1197207979.db2.gz DJKAHKSZLSNJFK-KRWDZBQOSA-N 0 0 377.408 0.912 10 0 GCAERN Cn1cc(NC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)ccc1=O ZINC000183122941 1197208196 /nfs/dbraw/zinc/20/81/96/1197208196.db2.gz VPVQRKOTERVTNM-GFCCVEGCSA-N 0 0 376.363 0.997 10 0 GCAERN C[C@H]1NC(C(=O)NCCc2nnc3n2CCCC3)=NN(c2ccccc2)C1=O ZINC000184113503 1197210457 /nfs/dbraw/zinc/21/04/57/1197210457.db2.gz WVJAAICFWUSJIJ-CYBMUJFWSA-N 0 0 381.440 0.612 10 0 GCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)o1 ZINC000186217684 1197227230 /nfs/dbraw/zinc/22/72/30/1197227230.db2.gz XQDWNLCXQJAEJS-UHFFFAOYSA-N 0 0 379.442 0.751 10 0 GCAERN Cn1cnc2c1c(=O)n(CC(=O)N1Cc3ccccc3C3(CC3)C1)c(=O)n2C ZINC000187435306 1197230822 /nfs/dbraw/zinc/23/08/22/1197230822.db2.gz NOLWDWVIMJFHOB-UHFFFAOYSA-N 0 0 379.420 0.508 10 0 GCAERN COCCN1CCCN(C(=O)[C@H](c2ccccc2)N2CCN(C)CC2)CC1=O ZINC000189058703 1197234902 /nfs/dbraw/zinc/23/49/02/1197234902.db2.gz GIIRFSFSZGTYCN-FQEVSTJZSA-N 0 0 388.512 0.682 10 0 GCAERN CS(=O)(=O)N1CCC(C(=O)N2Cc3cnnn3Cc3ccccc32)CC1 ZINC000189035122 1197235042 /nfs/dbraw/zinc/23/50/42/1197235042.db2.gz ONCRMWGYPFGVBE-UHFFFAOYSA-N 0 0 375.454 0.845 10 0 GCAERN COCCN1CCCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1=O ZINC000189305100 1197236200 /nfs/dbraw/zinc/23/62/00/1197236200.db2.gz XQHOUMIPSGQZAI-UHFFFAOYSA-N 0 0 388.512 0.512 10 0 GCAERN COCc1noc(CN2CCN([C@H]3CCN(c4cc(C)nn4C)C3=O)CC2)n1 ZINC000189640088 1197237552 /nfs/dbraw/zinc/23/75/52/1197237552.db2.gz RVPJYCHECQBKFJ-AWEZNQCLSA-N 0 0 389.460 0.181 10 0 GCAERN O=C(CN1CCN(c2cc(C3CC3)[nH]n2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000189678552 1197237965 /nfs/dbraw/zinc/23/79/65/1197237965.db2.gz OMKBXCFLQUAYHO-UHFFFAOYSA-N 0 0 386.500 0.490 10 0 GCAERN O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189794661 1197238673 /nfs/dbraw/zinc/23/86/73/1197238673.db2.gz KOMIAESMDYVLPU-UHFFFAOYSA-N 0 0 376.432 0.907 10 0 GCAERN 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CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000624753772 1199051744 /nfs/dbraw/zinc/05/17/44/1199051744.db2.gz PUXDRTGVORXYGB-LLVKDONJSA-N 0 0 380.445 0.210 10 0 GCAERN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)N1CCOC[C@@H]1CCO ZINC000765890951 1199051761 /nfs/dbraw/zinc/05/17/61/1199051761.db2.gz HQKSZHSWSFXTCI-INIZCTEOSA-N 0 0 383.470 0.519 10 0 GCAERN Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ncoc4C)CC3)C2=O)n(C)n1 ZINC000542808462 1199059053 /nfs/dbraw/zinc/05/90/53/1199059053.db2.gz JNUCGAPNCNTKGU-HNNXBMFYSA-N 0 0 386.456 0.978 10 0 GCAERN Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cncnc4C)CC3)C2=O)n(C)n1 ZINC000542814259 1199062415 /nfs/dbraw/zinc/06/24/15/1199062415.db2.gz ULKBEOSJWGNSFX-KRWDZBQOSA-N 0 0 397.483 0.780 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C(=O)OC)C1 ZINC000542842033 1199073202 /nfs/dbraw/zinc/07/32/02/1199073202.db2.gz VWKPIIOQTGDKPX-NSHDSACASA-N 0 0 380.376 0.471 10 0 GCAERN Cc1nc2n(n1)CCN(C(=O)C(=O)N[C@H]1CCc3nc(C(C)(C)C)cn3C1)C2 ZINC000672085588 1199077977 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1199177980 /nfs/dbraw/zinc/17/79/80/1199177980.db2.gz IZFKTVIGYHEACM-KGLIPLIRSA-N 0 0 380.466 0.441 10 0 GCAERN Cn1cc(/C=C/C(=O)Nc2ccc(CN3CCCC3=O)cc2)c(=O)n(C)c1=O ZINC000131862575 1199210054 /nfs/dbraw/zinc/21/00/54/1199210054.db2.gz PKHOYZROLGTATF-JXMROGBWSA-N 0 0 382.420 0.858 10 0 GCAERN O=C(CN1CCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1)NC1CC1 ZINC000076677862 1199211713 /nfs/dbraw/zinc/21/17/13/1199211713.db2.gz LLXUZAKXZXKDRK-CYBMUJFWSA-N 0 0 376.423 0.684 10 0 GCAERN O=C(NCCOC[C@H]1CCOC1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000672372830 1199219858 /nfs/dbraw/zinc/21/98/58/1199219858.db2.gz KOLHAMIDUAMWPS-INIZCTEOSA-N 0 0 395.500 0.407 10 0 GCAERN O=C(NCCOC[C@@H]1CCOC1)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000672371928 1199223521 /nfs/dbraw/zinc/22/35/21/1199223521.db2.gz BJNJCECQESQHLC-WBVHZDCISA-N 0 0 389.452 0.246 10 0 GCAERN O=C(NCCOC[C@H]1CCOC1)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000672371926 1199223552 /nfs/dbraw/zinc/22/35/52/1199223552.db2.gz BJNJCECQESQHLC-RDJZCZTQSA-N 0 0 389.452 0.246 10 0 GCAERN Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000672530618 1199259332 /nfs/dbraw/zinc/25/93/32/1199259332.db2.gz QCWRCWFWDTWHAK-HOCLYGCPSA-N 0 0 381.436 0.658 10 0 GCAERN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000672529596 1199259579 /nfs/dbraw/zinc/25/95/79/1199259579.db2.gz FZWNAKHQWGFSGA-ZACQAIPSSA-N 0 0 387.436 0.315 10 0 GCAERN C[C@@H]1CN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)CC(=O)N1C ZINC000282322812 1199260935 /nfs/dbraw/zinc/26/09/35/1199260935.db2.gz JWXDTLSQZNIKBS-XCLFUZPHSA-N 0 0 384.436 0.675 10 0 GCAERN O=C(NCc1cccc(N2CCOCC2)n1)C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000672553543 1199265416 /nfs/dbraw/zinc/26/54/16/1199265416.db2.gz DLLLUJWIFZAYRS-KRWDZBQOSA-N 0 0 398.467 0.595 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@@H](Cn2cccn2)c2ccccc2)[C@H](C)C1 ZINC000672611471 1199278218 /nfs/dbraw/zinc/27/82/18/1199278218.db2.gz HCZXTCBFHAVMEP-QAPCUYQASA-N 0 0 383.452 0.820 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)CC12CCCCC2 ZINC000672627497 1199283734 /nfs/dbraw/zinc/28/37/34/1199283734.db2.gz MVNAVCJRPXNJHY-OAHLLOKOSA-N 0 0 378.473 0.117 10 0 GCAERN O=C(N[C@H](Cn1cccn1)c1ccccc1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000672614544 1199283798 /nfs/dbraw/zinc/28/37/98/1199283798.db2.gz TUHZXDCZMNREPE-QZTJIDSGSA-N 0 0 383.452 0.284 10 0 GCAERN CC(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCOC3(CCSCC3)C2)C1=O ZINC000672657240 1199311582 /nfs/dbraw/zinc/31/15/82/1199311582.db2.gz NXLWXACLLMRXTO-KGLIPLIRSA-N 0 0 383.514 0.673 10 0 GCAERN CS(=O)(=O)NCC1CCN(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC000672678475 1199315098 /nfs/dbraw/zinc/31/50/98/1199315098.db2.gz RNYVUOMOIXPJJU-OAHLLOKOSA-N 0 0 385.490 0.855 10 0 GCAERN CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@H]3CCc4nnn(C)c4C3)cc21 ZINC000922042277 1199322445 /nfs/dbraw/zinc/32/24/45/1199322445.db2.gz NUNKLDYOQFZIGL-AWEZNQCLSA-N 0 0 389.481 0.950 10 0 GCAERN CC(=O)N1c2ccc(S(=O)(=O)N[C@H]3CCc4nnn(C)c4C3)cc2C[C@@H]1C ZINC000922044028 1199322756 /nfs/dbraw/zinc/32/27/56/1199322756.db2.gz GXEVMTYMXXYBEE-FZMZJTMJSA-N 0 0 389.481 0.948 10 0 GCAERN COc1cc(CNC(=O)N2CC[C@H](CC(N)=O)C2)ccc1OCC(=O)N(C)C ZINC000672743325 1199326890 /nfs/dbraw/zinc/32/68/90/1199326890.db2.gz RMELCVHVWXHYMJ-CQSZACIVSA-N 0 0 392.456 0.569 10 0 GCAERN NC(=O)C[C@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000672744645 1199327157 /nfs/dbraw/zinc/32/71/57/1199327157.db2.gz VXHCQKQNSKWJOY-OAHLLOKOSA-N 0 0 394.497 0.878 10 0 GCAERN C[C@@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)C1CCC1 ZINC000672794288 1199336581 /nfs/dbraw/zinc/33/65/81/1199336581.db2.gz PIXMQUVTQUPIJH-CYBMUJFWSA-N 0 0 391.493 0.895 10 0 GCAERN Cc1cc(C)n(-c2ccc(CNC(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)cn2)n1 ZINC000132115292 1199336638 /nfs/dbraw/zinc/33/66/38/1199336638.db2.gz OACWEXUEHIEYJO-VURMDHGXSA-N 0 0 394.435 0.611 10 0 GCAERN Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCC4(C3)CCOCC4)C2)cn1 ZINC000672890069 1199362217 /nfs/dbraw/zinc/36/22/17/1199362217.db2.gz HZOUROJVWRFGTH-OAHLLOKOSA-N 0 0 375.473 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O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)N1CCOCC2(CC2)C1 ZINC000673535296 1199746901 /nfs/dbraw/zinc/74/69/01/1199746901.db2.gz HQMKUNBHUKCGQQ-NSHDSACASA-N 0 0 377.363 0.295 10 0 GCAERN CO[C@H](C)[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000466496213 1199747879 /nfs/dbraw/zinc/74/78/79/1199747879.db2.gz SAXKEEQRSVUEKG-APIJFGDWSA-N 0 0 392.522 0.091 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)CNC(=O)NCc3ccc(F)cc3)CC2)[nH]1 ZINC000118681598 1199773553 /nfs/dbraw/zinc/77/35/53/1199773553.db2.gz MLVXVZVOCZYDIX-UHFFFAOYSA-N 0 0 389.435 0.396 10 0 GCAERN CCn1c(=O)[nH]c2cc(C(=O)N3CCN(Cc4nnc(C)[nH]4)CC3)ccc2c1=O ZINC000118682603 1199774505 /nfs/dbraw/zinc/77/45/05/1199774505.db2.gz OKQFGTSYFDXMNZ-UHFFFAOYSA-N 0 0 397.439 0.094 10 0 GCAERN CCc1nnnn1-c1ccccc1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000118742183 1199777629 /nfs/dbraw/zinc/77/76/29/1199777629.db2.gz SRYVGCSYTPLEIY-UHFFFAOYSA-N 0 0 379.384 0.307 10 0 GCAERN CC(=O)c1cccc(CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000922482657 1199801776 /nfs/dbraw/zinc/80/17/76/1199801776.db2.gz WDLOBNKOIWHCNQ-MRXNPFEDSA-N 0 0 382.486 0.959 10 0 GCAERN Cc1ccccc1CC(=O)N1CCN(C(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000499971146 1199839058 /nfs/dbraw/zinc/83/90/58/1199839058.db2.gz HNGHEQQMDJJPFI-DNVCBOLYSA-N 0 0 387.480 0.484 10 0 GCAERN CC(=O)c1cccc(OCC(=O)O[C@H](C)C(=O)N(C)CC(=O)NC2CC2)c1 ZINC000922659708 1199848456 /nfs/dbraw/zinc/84/84/56/1199848456.db2.gz ISGRSLWUATYXAQ-CYBMUJFWSA-N 0 0 376.409 0.937 10 0 GCAERN O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000265884303 1199856913 /nfs/dbraw/zinc/85/69/13/1199856913.db2.gz JQKRGEXDPIVCNQ-PBHICJAKSA-N 0 0 389.452 0.765 10 0 GCAERN Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(=O)n(C)c1=O ZINC000173084331 1199890852 /nfs/dbraw/zinc/89/08/52/1199890852.db2.gz YPUBWDZDKRVLQH-SNVBAGLBSA-N 0 0 376.800 0.729 10 0 GCAERN c1c[nH]c(-c2nnc(N3CCN(c4nccnn4)CC3)n2C[C@H]2CCCO2)c1 ZINC000625079301 1199900518 /nfs/dbraw/zinc/90/05/18/1199900518.db2.gz VDPAURDUFDBBEY-CQSZACIVSA-N 0 0 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375.516 0.323 10 0 GCAERN Cn1ncc(Br)c1CNCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000487280555 530811702 /nfs/dbraw/zinc/81/17/02/530811702.db2.gz RHERJRKASLSHGT-LLVKDONJSA-N 0 0 395.323 0.761 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(F)c1 ZINC000487359691 530812273 /nfs/dbraw/zinc/81/22/73/530812273.db2.gz AZZCFCJJVFQGMP-NXEZZACHSA-N 0 0 376.406 0.569 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1csc(C(=O)OC)c1 ZINC000487354782 530812289 /nfs/dbraw/zinc/81/22/89/530812289.db2.gz OHYZJEKLNPXNEG-RKDXNWHRSA-N 0 0 392.455 0.269 10 0 GCAERN C[C@@H](C[S@@](C)=O)NC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000376352967 530813783 /nfs/dbraw/zinc/81/37/83/530813783.db2.gz PJONIARTQBLFCQ-FNODVLLQSA-N 0 0 385.511 0.540 10 0 GCAERN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123174950 530817431 /nfs/dbraw/zinc/81/74/31/530817431.db2.gz JMCKRGZZTNLICG-NSHDSACASA-N 0 0 395.213 0.374 10 0 GCAERN CC[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)OC)C[C@@]2(CCOC2)O1 ZINC000619506143 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COC(=O)/C(C)=C\COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O ZINC000748154462 1185109707 /nfs/dbraw/zinc/10/97/07/1185109707.db2.gz HBHNSYQTCSNTPV-MEJTZIMASA-N 0 0 399.465 0.994 10 0 GCAERN CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000047164008 1185117583 /nfs/dbraw/zinc/11/75/83/1185117583.db2.gz DZSMTMXEVIPMHW-UHFFFAOYSA-N 0 0 380.470 0.366 10 0 GCAERN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000047773754 1185118980 /nfs/dbraw/zinc/11/89/80/1185118980.db2.gz HRXCPOYCXLPPBM-GDBMZVCRSA-N 0 0 382.457 0.910 10 0 GCAERN C[C@H](CN1CCOCC1)C(=O)N1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000580269474 1185136767 /nfs/dbraw/zinc/13/67/67/1185136767.db2.gz ZJEMDCYJYAIQAB-TZMCWYRMSA-N 0 0 377.445 0.594 10 0 GCAERN Cc1noc(CCNC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000066598726 1185167521 /nfs/dbraw/zinc/16/75/21/1185167521.db2.gz COCXFBWBOYQXLS-ZBFHGGJFSA-N 0 0 392.504 0.943 10 0 GCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)CN3C(=O)COc4ccccc43)C2)c1=O ZINC000275859946 1185188515 /nfs/dbraw/zinc/18/85/15/1185188515.db2.gz XKESCGCHJGLACI-CQSZACIVSA-N 0 0 397.435 0.291 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(F)ccc1N1CCOCC1 ZINC000580387166 1185215127 /nfs/dbraw/zinc/21/51/27/1185215127.db2.gz SDSRJYDELUKKCW-CHWSQXEVSA-N 0 0 395.431 0.848 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1nnn(Cc2ccncc2)c1C ZINC000580415165 1185225299 /nfs/dbraw/zinc/22/52/99/1185225299.db2.gz FTEGBJFDSWRBGA-NWDGAFQWSA-N 0 0 388.428 0.216 10 0 GCAERN COCCN(Cc1noc(C2CC2)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000053606279 1185243209 /nfs/dbraw/zinc/24/32/09/1185243209.db2.gz LOERNNDTDNDUGN-UHFFFAOYSA-N 0 0 378.433 0.688 10 0 GCAERN CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[C@@]4(CNC(=O)C4)C3)ccc21 ZINC000683951681 1185246474 /nfs/dbraw/zinc/24/64/74/1185246474.db2.gz JMLFECOVPSFDRX-GOSISDBHSA-N 0 0 377.466 0.886 10 0 GCAERN CC1(c2cc(NC(=O)C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)no2)CCCC1 ZINC000684007606 1185296100 /nfs/dbraw/zinc/29/61/00/1185296100.db2.gz 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O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccn1)N1CCN2CCOC[C@@H]2C1 ZINC000581169087 1185522539 /nfs/dbraw/zinc/52/25/39/1185522539.db2.gz BLEXNABSEJJEBZ-AWEZNQCLSA-N 0 0 395.485 0.414 10 0 GCAERN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cn(C)nc2[C@H]2CCOC2)CC1 ZINC000276095888 1185568860 /nfs/dbraw/zinc/56/88/60/1185568860.db2.gz WHYBSRZJKDYKCV-CVEARBPZSA-N 0 0 389.500 0.693 10 0 GCAERN Cn1c2ncn(CCOC(=O)/C=C\c3ccnc(Cl)c3)c2c(=O)n(C)c1=O ZINC000255288960 1185597680 /nfs/dbraw/zinc/59/76/80/1185597680.db2.gz APBMCXFRVTXLHO-ARJAWSKDSA-N 0 0 389.799 0.739 10 0 GCAERN O=C(CN1C(=O)CCC1=O)N1CCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000510391361 1185604356 /nfs/dbraw/zinc/60/43/56/1185604356.db2.gz BADHUIPLGMXKTA-UHFFFAOYSA-N 0 0 382.424 0.061 10 0 GCAERN CO[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC[C@@H]1C ZINC000276147627 1185610463 /nfs/dbraw/zinc/61/04/63/1185610463.db2.gz PWKXRKPPEWUZBZ-JKSUJKDBSA-N 0 0 390.488 0.582 10 0 GCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000276157387 1185628234 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COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000605251596 1189478209 /nfs/dbraw/zinc/47/82/09/1189478209.db2.gz HMYSBCKOGZXPRN-LBPRGKRZSA-N 0 0 386.330 0.953 10 0 GCAERN COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000605251812 1189478437 /nfs/dbraw/zinc/47/84/37/1189478437.db2.gz VJKNXXUDOROHOB-NSHDSACASA-N 0 0 377.319 0.041 10 0 GCAERN CO[C@@H]1CC[C@@H](NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C1 ZINC000472967870 1189485602 /nfs/dbraw/zinc/48/56/02/1189485602.db2.gz VVTWJWBUEBHGQO-VXGBXAGGSA-N 0 0 375.429 0.674 10 0 GCAERN CO[C@H]1CC[C@H](NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C1 ZINC000472967868 1189485792 /nfs/dbraw/zinc/48/57/92/1189485792.db2.gz VVTWJWBUEBHGQO-RYUDHWBXSA-N 0 0 375.429 0.674 10 0 GCAERN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000363814688 1189498346 /nfs/dbraw/zinc/49/83/46/1189498346.db2.gz HGBBRIMPUYMPKT-MRXNPFEDSA-N 0 0 381.498 0.874 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC[C@](C)(O)CO)CC2)c1 ZINC000549430083 1189498815 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COc1cc(C(=O)N2CCN3CCOC[C@@H]3C2)ccc1OCC(=O)NC(C)C ZINC000363860501 1189532855 /nfs/dbraw/zinc/53/28/55/1189532855.db2.gz UWJCEWRTRNVWBC-INIZCTEOSA-N 0 0 391.468 0.755 10 0 GCAERN CN(C)c1ccc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1 ZINC000378548315 1189533282 /nfs/dbraw/zinc/53/32/82/1189533282.db2.gz KJSDNVJEHPKMIW-OAHLLOKOSA-N 0 0 397.501 0.806 10 0 GCAERN COC(=O)c1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)cc1C(=O)OC ZINC000363861918 1189534032 /nfs/dbraw/zinc/53/40/32/1189534032.db2.gz XPFAUAORMYYLFY-ZDUSSCGKSA-N 0 0 377.397 0.808 10 0 GCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 ZINC000378549403 1189534196 /nfs/dbraw/zinc/53/41/96/1189534196.db2.gz FEJSWUZTFLCNBU-CHWSQXEVSA-N 0 0 392.441 0.291 10 0 GCAERN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CC(n2ccnn2)C1 ZINC000378552659 1189534706 /nfs/dbraw/zinc/53/47/06/1189534706.db2.gz MVDBJGVMXFUHAI-UHFFFAOYSA-N 0 0 389.481 0.909 10 0 GCAERN COc1ccc2c(c1)ncc(C(=O)NCC1(O)CCS(=O)(=O)CC1)c2O ZINC000511560872 1189535666 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O=C(OCCN1CCOCC1=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000785280820 1190044716 /nfs/dbraw/zinc/04/47/16/1190044716.db2.gz JRLBVWIKUSQGGG-UHFFFAOYSA-N 0 0 396.465 0.489 10 0 GCAERN COC(=O)c1cc(Cl)cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000785285931 1190070343 /nfs/dbraw/zinc/07/03/43/1190070343.db2.gz NQFLBXYZVVETGD-CYBMUJFWSA-N 0 0 397.815 0.165 10 0 GCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(C)C[C@H]1C(=O)N1CCC[C@H]1C(=O)NC ZINC000332964148 1193733338 /nfs/dbraw/zinc/73/33/38/1193733338.db2.gz QCAZGMDNZJXIDL-WCVJEAGWSA-N 0 0 392.500 0.123 10 0 GCAERN COc1ccc(CCNC(=O)NC[C@@H](O)Cn2ccnn2)c(Cl)c1OC ZINC000458833232 1193756509 /nfs/dbraw/zinc/75/65/09/1193756509.db2.gz AIBSRHPKUHSIID-GFCCVEGCSA-N 0 0 383.836 0.852 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000429879500 1193783037 /nfs/dbraw/zinc/78/30/37/1193783037.db2.gz KSKVAMFFKSQZIO-LBPRGKRZSA-N 0 0 381.454 0.643 10 0 GCAERN O=C(Cn1nc2ccccn2c1=O)N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1 ZINC000512890247 1193796161 /nfs/dbraw/zinc/79/61/61/1193796161.db2.gz JVAAJOGZYREYIO-KRWDZBQOSA-N 0 0 391.391 0.715 10 0 GCAERN Cc1c(NC(=O)N[C@H]2CCCN(CCO)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000473489558 1193825414 /nfs/dbraw/zinc/82/54/14/1193825414.db2.gz BGAIEQZULQSLNF-HNNXBMFYSA-N 0 0 387.440 0.589 10 0 GCAERN O=C(NC[C@H]1CCCC[C@H]1O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000607136642 1193844050 /nfs/dbraw/zinc/84/40/50/1193844050.db2.gz FHQGBCXHNINMDB-GDBMZVCRSA-N 0 0 382.482 0.988 10 0 GCAERN Cc1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc1S(=O)(=O)N(C)C ZINC000473498786 1193846883 /nfs/dbraw/zinc/84/68/83/1193846883.db2.gz OAUNAEHGIKGDAX-CQSZACIVSA-N 0 0 398.485 0.350 10 0 GCAERN CC(C)NS(=O)(=O)N1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000408457056 1193862554 /nfs/dbraw/zinc/86/25/54/1193862554.db2.gz NHPGXYNRMQDWEI-CVEARBPZSA-N 0 0 388.534 0.017 10 0 GCAERN CC(C)NS(=O)(=O)N1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000408457058 1193862797 /nfs/dbraw/zinc/86/27/97/1193862797.db2.gz NHPGXYNRMQDWEI-HZPDHXFCSA-N 0 0 388.534 0.017 10 0 GCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(OC)c(OC)c2)C1 ZINC000549924874 1193900775 /nfs/dbraw/zinc/90/07/75/1193900775.db2.gz RTQJOAMAMFXCKY-HNNXBMFYSA-N 0 0 391.468 0.880 10 0 GCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(OC)c(OC)c2)C1 ZINC000549924875 1193901165 /nfs/dbraw/zinc/90/11/65/1193901165.db2.gz RTQJOAMAMFXCKY-OAHLLOKOSA-N 0 0 391.468 0.880 10 0 GCAERN c1cn(C[C@@H]2CCN(c3cncc(N4CC[C@@H](Cn5ccnn5)C4)n3)C2)nn1 ZINC000664167786 1193919585 /nfs/dbraw/zinc/91/95/85/1193919585.db2.gz GJPQUBQGPSCHHY-HZPDHXFCSA-N 0 0 380.460 0.713 10 0 GCAERN c1cn(C[C@@H]2CCN(c3cc(N4CC[C@@H](Cn5ccnn5)C4)ncn3)C2)nn1 ZINC000664170058 1193934792 /nfs/dbraw/zinc/93/47/92/1193934792.db2.gz ZYTMEEFDFKJFLW-HZPDHXFCSA-N 0 0 380.460 0.713 10 0 GCAERN c1cn(C[C@@H]2CCN(c3nccnc3N3CC[C@H](Cn4ccnn4)C3)C2)nn1 ZINC000664169618 1193937357 /nfs/dbraw/zinc/93/73/57/1193937357.db2.gz VGNDQOUNWWFXLQ-IYBDPMFKSA-N 0 0 380.460 0.713 10 0 GCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC2(CNC(=O)N2C)CC1 ZINC000333427189 1193939706 /nfs/dbraw/zinc/93/97/06/1193939706.db2.gz KFRLOHVVGGIAIX-LBPRGKRZSA-N 0 0 398.460 0.509 10 0 GCAERN CCCCS(=O)(=O)NCC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000513354720 1193943626 /nfs/dbraw/zinc/94/36/26/1193943626.db2.gz YQSKICDDDHFSOA-OAHLLOKOSA-N 0 0 397.497 0.502 10 0 GCAERN COC(=O)C1(CS(=O)(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)CCC1 ZINC000576754072 1193945004 /nfs/dbraw/zinc/94/50/04/1193945004.db2.gz MRQBSLDJTITUQK-AWEZNQCLSA-N 0 0 384.502 0.960 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](C(C)C)C2(CO)CC=CC2)CC1 ZINC000664178958 1193952252 /nfs/dbraw/zinc/95/22/52/1193952252.db2.gz NKCDVOLUYFUNEH-SFHVURJKSA-N 0 0 394.516 0.720 10 0 GCAERN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000228221643 1193969276 /nfs/dbraw/zinc/96/92/76/1193969276.db2.gz OZZYCACMEVPHNZ-KSZLIROESA-N 0 0 380.533 0.356 10 0 GCAERN C[C@H](CN1CCOCC1)NC(=O)N(C)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000280018056 1193974117 /nfs/dbraw/zinc/97/41/17/1193974117.db2.gz 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Cn1cc([C@H](NC(=O)NCC2(OCCO)CCOCC2)C(F)(F)F)cn1 ZINC000504793091 1194806307 /nfs/dbraw/zinc/80/63/07/1194806307.db2.gz JMHLAZIEOIGOBF-LBPRGKRZSA-N 0 0 380.367 0.881 10 0 GCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000664381447 1194807085 /nfs/dbraw/zinc/80/70/85/1194807085.db2.gz WTGBSQMJFTVBIG-LEWSCRJBSA-N 0 0 389.424 0.655 10 0 GCAERN O=C(CO)N1CCN(C(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2)CC1 ZINC000504877790 1194808959 /nfs/dbraw/zinc/80/89/59/1194808959.db2.gz YLCJKIYOHSFPDL-UHFFFAOYSA-N 0 0 389.330 0.229 10 0 GCAERN CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000505103996 1194827471 /nfs/dbraw/zinc/82/74/71/1194827471.db2.gz IPVGQIFJFZYGFY-CABCVRRESA-N 0 0 380.420 0.362 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(C3CC3)C(=O)C2)cc1 ZINC000505222976 1194831437 /nfs/dbraw/zinc/83/14/37/1194831437.db2.gz HWGSCKLAFXYDJU-UHFFFAOYSA-N 0 0 393.465 0.391 10 0 GCAERN CN(CC(=O)N[C@@H](c1ccn(C)n1)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000434255238 1194838253 /nfs/dbraw/zinc/83/82/53/1194838253.db2.gz UHYKWNOYLLOEES-CRAIPNDOSA-N 0 0 394.472 0.884 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)[C@H](C)Oc2cccc(CO)c2)CC1 ZINC000513968125 1194843930 /nfs/dbraw/zinc/84/39/30/1194843930.db2.gz WQGCEXMXPXUTBD-AWEZNQCLSA-N 0 0 377.441 0.143 10 0 GCAERN Cc1c(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cccc1N(C)C ZINC000434419258 1194844432 /nfs/dbraw/zinc/84/44/32/1194844432.db2.gz KCNNNYLNUSHXFI-UHFFFAOYSA-N 0 0 396.451 0.969 10 0 GCAERN CCc1ccc(NC(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1S(N)(=O)=O ZINC000434442331 1194844770 /nfs/dbraw/zinc/84/47/70/1194844770.db2.gz WUTRJZSTPPRUCI-UHFFFAOYSA-N 0 0 391.453 0.935 10 0 GCAERN CN(C)c1ccc(NC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)cn1 ZINC000434435087 1194845738 /nfs/dbraw/zinc/84/57/38/1194845738.db2.gz PLPKWMYIEDBKNC-UHFFFAOYSA-N 0 0 391.453 0.774 10 0 GCAERN NC(=O)Cn1cc(NC(=O)C(=O)N2CC3(CCOCC3)c3ccccc32)cn1 ZINC000434541388 1194850845 /nfs/dbraw/zinc/85/08/45/1194850845.db2.gz UIGMSUVHOHFUPZ-UHFFFAOYSA-N 0 0 383.408 0.402 10 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CCNC(=O)COc1ccc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)cc1OC ZINC000435032880 1194884588 /nfs/dbraw/zinc/88/45/88/1194884588.db2.gz INZQMEIHDXCGPV-IBGZPJMESA-N 0 0 390.440 0.384 10 0 GCAERN C[C@H]1CCc2nc(NC(=O)C(=O)NCc3nnnn3CC3CC3)sc2C1 ZINC000435093790 1194889304 /nfs/dbraw/zinc/88/93/04/1194889304.db2.gz GRFTWRVXHSJLPF-VIFPVBQESA-N 0 0 375.458 0.919 10 0 GCAERN CC1(c2cc(NC(=O)C(=O)NC[C@H]3CCCCS3(=O)=O)no2)CCCC1 ZINC000435107878 1194890340 /nfs/dbraw/zinc/89/03/40/1194890340.db2.gz JNKHTHRVCVMSDB-GFCCVEGCSA-N 0 0 383.470 1.528 10 0 GCAERN CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1C[C@@H]3CCCCN3C[C@@H]1C)CC2 ZINC000514683499 1194892601 /nfs/dbraw/zinc/89/26/01/1194892601.db2.gz BYAHVVHWFKSUCA-XHSDSOJGSA-N 0 0 388.516 0.918 10 0 GCAERN COc1cccc(-c2cc(NC(=O)C(=O)NC[C@@]3(O)CCO[C@@H]3C)n(C)n2)c1 ZINC000435220011 1194900339 /nfs/dbraw/zinc/90/03/39/1194900339.db2.gz KIVJVKWFFPEYMV-BLVKFPJESA-N 0 0 388.424 0.690 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000435254248 1194907274 /nfs/dbraw/zinc/90/72/74/1194907274.db2.gz QGKFUXHHSZFKNM-CQSZACIVSA-N 0 0 376.457 0.787 10 0 GCAERN O=C(NCc1ccc2c(c1)OCCCO2)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000514825796 1194915028 /nfs/dbraw/zinc/91/50/28/1194915028.db2.gz LMYYBSFEINRWKN-HNNXBMFYSA-N 0 0 375.425 0.007 10 0 GCAERN CC1(c2cc(NC(=O)C(=O)NCC3(N4CCOCC4)CC3)no2)CCCC1 ZINC000435304122 1194915112 /nfs/dbraw/zinc/91/51/12/1194915112.db2.gz FJPLHMYHELQOPH-UHFFFAOYSA-N 0 0 376.457 1.426 10 0 GCAERN O=C(NCc1ccc2c(c1)OCCCO2)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000514825797 1194915153 /nfs/dbraw/zinc/91/51/53/1194915153.db2.gz LMYYBSFEINRWKN-OAHLLOKOSA-N 0 0 375.425 0.007 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1nc(C2CCC2)cs1 ZINC000435305648 1194915203 /nfs/dbraw/zinc/91/52/03/1194915203.db2.gz ILJWHSPODQZVEG-VHSXEESVSA-N 0 0 396.469 0.922 10 0 GCAERN COc1c(F)cc(CC(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1S(N)(=O)=O ZINC000435712243 1194959121 /nfs/dbraw/zinc/95/91/21/1194959121.db2.gz ZCVBMNCKQKCUGV-VIFPVBQESA-N 0 0 390.433 0.871 10 0 GCAERN Cn1cc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c2cc(F)ccc21 ZINC000435799844 1194966152 /nfs/dbraw/zinc/96/61/52/1194966152.db2.gz RBZHLVYHCPKPAM-UHFFFAOYSA-N 0 0 392.416 0.582 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCCc2ccccn2)c1 ZINC000435832167 1194967123 /nfs/dbraw/zinc/96/71/23/1194967123.db2.gz ZLLYAXCTJZTELV-UHFFFAOYSA-N 0 0 376.438 0.677 10 0 GCAERN CS(=O)(=O)N1CCC(NC(=O)N2CCO[C@@H](COc3ccccc3)C2)CC1 ZINC000515410622 1194973261 /nfs/dbraw/zinc/97/32/61/1194973261.db2.gz DRCCMNUOCPFQFG-QGZVFWFLSA-N 0 0 397.497 0.900 10 0 GCAERN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCOCC1CCC1)CC2 ZINC000515448431 1194975657 /nfs/dbraw/zinc/97/56/57/1194975657.db2.gz JNXZWHOWBHHFBQ-UHFFFAOYSA-N 0 0 395.481 0.417 10 0 GCAERN CNC(=O)[C@@]1(C)CCN(C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)C1 ZINC000435970629 1194976395 /nfs/dbraw/zinc/97/63/95/1194976395.db2.gz HAZSIFZPFXNNSJ-INIZCTEOSA-N 0 0 387.433 0.009 10 0 GCAERN CC(=O)N1CC[C@@H](NC(=O)NC[C@@]2(OCCO)CCOC2)c2ccccc21 ZINC000664534728 1194992430 /nfs/dbraw/zinc/99/24/30/1194992430.db2.gz JQDVIKNSDGIBAE-APWZRJJASA-N 0 0 377.441 0.952 10 0 GCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N(CCO)C1CCOCC1 ZINC000436256868 1194993578 /nfs/dbraw/zinc/99/35/78/1194993578.db2.gz BRTQYZOXTWMMIM-UHFFFAOYSA-N 0 0 382.505 0.114 10 0 GCAERN C[C@@H](NC(=O)[C@](C)(O)Cn1ccccc1=O)c1cccc(S(N)(=O)=O)c1 ZINC000436372710 1194999776 /nfs/dbraw/zinc/99/97/76/1194999776.db2.gz RFUJHTJQXJWREB-SJKOYZFVSA-N 0 0 379.438 0.124 10 0 GCAERN COC[C@H](NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(F)cc1 ZINC000436454861 1195009630 /nfs/dbraw/zinc/00/96/30/1195009630.db2.gz XEWLNWDCXPOHLT-HNNXBMFYSA-N 0 0 395.412 0.916 10 0 GCAERN CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCSC[C@H]2CCO)c1 ZINC000505836365 1195011598 /nfs/dbraw/zinc/01/15/98/1195011598.db2.gz CRSJSDZJTBHFJN-CQSZACIVSA-N 0 0 380.470 0.494 10 0 GCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCc3ncccc3S(C)(=O)=O)[C@H]2C1 ZINC000516338456 1195043959 /nfs/dbraw/zinc/04/39/59/1195043959.db2.gz UGCPWHCQHNDBLB-KKUMJFAQSA-N 0 0 394.497 0.931 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000516384280 1195047318 /nfs/dbraw/zinc/04/73/18/1195047318.db2.gz XGVQAXVUXJKZCB-SMDDNHRTSA-N 0 0 381.454 0.280 10 0 GCAERN CN(CCCO)C(=O)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000516437542 1195051951 /nfs/dbraw/zinc/05/19/51/1195051951.db2.gz UJJJPQRWVLGVKS-MRXNPFEDSA-N 0 0 377.441 0.052 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000516526045 1195063477 /nfs/dbraw/zinc/06/34/77/1195063477.db2.gz GBUUZKXAQQNWPJ-MELADBBJSA-N 0 0 381.473 0.740 10 0 GCAERN Cn1c(=O)ccc2ccc(NC(=O)C(=O)NCC3([S@](C)=O)CCC3)cc21 ZINC000437141152 1195075413 /nfs/dbraw/zinc/07/54/13/1195075413.db2.gz JERBCAHXGCVBFB-SANMLTNESA-N 0 0 375.450 0.894 10 0 GCAERN CC=CC[C@@H]1NC(=O)N(C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1=O ZINC000516616088 1195076949 /nfs/dbraw/zinc/07/69/49/1195076949.db2.gz KATYIGIVUIUHSM-GWQWAINWSA-N 0 0 385.486 0.846 10 0 GCAERN Cc1cc(NC(=O)C(=O)N(C)CC(=O)N2CCOCC2)n(-c2ccccc2C)n1 ZINC000437161360 1195078711 /nfs/dbraw/zinc/07/87/11/1195078711.db2.gz WMXXHWKVEDFGDH-UHFFFAOYSA-N 0 0 399.451 0.745 10 0 GCAERN C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000437180076 1195079933 /nfs/dbraw/zinc/07/99/33/1195079933.db2.gz AKPQFJZYPFNLDC-GXTWGEPZSA-N 0 0 376.438 1.000 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 ZINC000437235314 1195086000 /nfs/dbraw/zinc/08/60/00/1195086000.db2.gz KBAJRIGCASIIKE-UHFFFAOYSA-N 0 0 392.437 0.249 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2)c1 ZINC000437355673 1195100914 /nfs/dbraw/zinc/10/09/14/1195100914.db2.gz MBVRIRXPGJULQQ-UHFFFAOYSA-N 0 0 390.421 0.288 10 0 GCAERN COC[C@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 ZINC000437374682 1195102786 /nfs/dbraw/zinc/10/27/86/1195102786.db2.gz RGMWFNRBCQCCJH-HNNXBMFYSA-N 0 0 386.383 0.889 10 0 GCAERN COC[C@H](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(F)cc1 ZINC000437391715 1195103961 /nfs/dbraw/zinc/10/39/61/1195103961.db2.gz CLVLQGUNWKAHPE-IMJJTQAJSA-N 0 0 398.456 0.665 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)N2CCC([C@@H](O)C(=O)OC)CC2)c1 ZINC000437377456 1195104498 /nfs/dbraw/zinc/10/44/98/1195104498.db2.gz XIZLQSCJALOPFY-CQSZACIVSA-N 0 0 385.442 0.373 10 0 GCAERN COC[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(F)cc1 ZINC000437396916 1195105925 /nfs/dbraw/zinc/10/59/25/1195105925.db2.gz YHKNEUUJUGIGFF-AEFFLSMTSA-N 0 0 393.459 0.810 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCSc2ccccc2)CC1 ZINC000516881089 1195108732 /nfs/dbraw/zinc/10/87/32/1195108732.db2.gz LYNNRGGEOKDKTM-UHFFFAOYSA-N 0 0 393.509 0.991 10 0 GCAERN O=C(NC[C@H](c1ccco1)N1CCCC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000549990442 1195110190 /nfs/dbraw/zinc/11/01/90/1195110190.db2.gz ATYULVLQCGUDPC-JKSUJKDBSA-N 0 0 376.457 0.076 10 0 GCAERN C[C@@H]1C(=O)NCCN1C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC000517096984 1195134540 /nfs/dbraw/zinc/13/45/40/1195134540.db2.gz KVNUHEVTERHXPD-SNVBAGLBSA-N 0 0 380.401 0.915 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)CCCN3C(=O)CN(C)C3=O)c2)n1 ZINC000506141733 1195165587 /nfs/dbraw/zinc/16/55/87/1195165587.db2.gz AYMYZZQXKKQZKN-UHFFFAOYSA-N 0 0 385.428 0.946 10 0 GCAERN NS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000517563748 1195193672 /nfs/dbraw/zinc/19/36/72/1195193672.db2.gz KSNRRRNMYDTVRC-KRWDZBQOSA-N 0 0 387.461 0.966 10 0 GCAERN Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccc4nccnc4c3)CC2)n1 ZINC000517726297 1195210941 /nfs/dbraw/zinc/21/09/41/1195210941.db2.gz HADMBAKMGSKLCV-UHFFFAOYSA-N 0 0 381.396 0.604 10 0 GCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000546095687 1195221130 /nfs/dbraw/zinc/22/11/30/1195221130.db2.gz DVIONFJAQZDHOY-AWEZNQCLSA-N 0 0 378.454 0.878 10 0 GCAERN C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000517974100 1195233740 /nfs/dbraw/zinc/23/37/40/1195233740.db2.gz VCFXJOPYEJEIBO-CQSZACIVSA-N 0 0 392.481 0.439 10 0 GCAERN COC(=O)C1(NC(=O)CCn2c(C)nc3ccccc32)CCS(=O)(=O)CC1 ZINC000506318251 1195236277 /nfs/dbraw/zinc/23/62/77/1195236277.db2.gz PYIXEKMOLMOVNU-UHFFFAOYSA-N 0 0 393.465 0.971 10 0 GCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(N)=O)c1 ZINC000438720678 1195242330 /nfs/dbraw/zinc/24/23/30/1195242330.db2.gz HTIQYYSNIWXFFS-QGZVFWFLSA-N 0 0 382.420 0.821 10 0 GCAERN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000518156268 1195256242 /nfs/dbraw/zinc/25/62/42/1195256242.db2.gz YVDAOBQNKGAPEF-JFIYKMOQSA-N 0 0 396.509 0.800 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)[C@H](C)C1 ZINC000506410219 1195260646 /nfs/dbraw/zinc/26/06/46/1195260646.db2.gz ZLZVVMNZSZAPFB-CZUORRHYSA-N 0 0 375.473 0.517 10 0 GCAERN Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CC[C@@H](S(C)(=O)=O)C3)cc21 ZINC000506429422 1195265287 /nfs/dbraw/zinc/26/52/87/1195265287.db2.gz NRLAIOKRKZOFQA-CYBMUJFWSA-N 0 0 377.422 0.123 10 0 GCAERN CC(=O)N1CCCN(C(=O)C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)CC1 ZINC000506431093 1195268573 /nfs/dbraw/zinc/26/85/73/1195268573.db2.gz TWAIYERYMOGVHG-INIZCTEOSA-N 0 0 375.473 0.518 10 0 GCAERN NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000439010269 1195276232 /nfs/dbraw/zinc/27/62/32/1195276232.db2.gz WIPCIRRYEIJQML-UHFFFAOYSA-N 0 0 396.403 0.804 10 0 GCAERN CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 ZINC000506465706 1195278000 /nfs/dbraw/zinc/27/80/00/1195278000.db2.gz AECKWLPOYBVMJI-OAHLLOKOSA-N 0 0 393.465 0.788 10 0 GCAERN Cc1c(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)cccc1N(C)C ZINC000439389943 1195316468 /nfs/dbraw/zinc/31/64/68/1195316468.db2.gz WPSBFXYNOXEMPL-UHFFFAOYSA-N 0 0 382.486 0.527 10 0 GCAERN COc1ccc([C@H](NC(=O)C(=O)Nc2cc(C)n(C)n2)c2nccn2C)cc1 ZINC000439490361 1195325735 /nfs/dbraw/zinc/32/57/35/1195325735.db2.gz HFLNOSLLGJNSKV-INIZCTEOSA-N 0 0 382.424 1.315 10 0 GCAERN CN(C)c1nccc(N2CCN(C(=O)c3cc(N4CCOCC4)ccn3)CC2)n1 ZINC000439501794 1195327454 /nfs/dbraw/zinc/32/74/54/1195327454.db2.gz FEZREMLKMXIJQE-UHFFFAOYSA-N 0 0 397.483 0.737 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CCC[C@H](O)C2)CC1 ZINC000439527635 1195327720 /nfs/dbraw/zinc/32/77/20/1195327720.db2.gz SAKBBQKJMDAXCC-GJZGRUSLSA-N 0 0 381.498 0.794 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)N[C@H]2CCCc3cn(CCOC)nc32)cn1C ZINC000506609392 1195329743 /nfs/dbraw/zinc/32/97/43/1195329743.db2.gz KTUGCWDVDDBDFQ-AWEZNQCLSA-N 0 0 395.485 0.584 10 0 GCAERN CC(=O)NCCCN1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506631263 1195336784 /nfs/dbraw/zinc/33/67/84/1195336784.db2.gz DRQNIRIIFKPORZ-QGZVFWFLSA-N 0 0 376.505 0.368 10 0 GCAERN COC(=O)CCCN1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506651789 1195342225 /nfs/dbraw/zinc/34/22/25/1195342225.db2.gz JRBAWFYBMGPUSQ-INIZCTEOSA-N 0 0 377.489 0.795 10 0 GCAERN COC(=O)CCCN1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506651790 1195342254 /nfs/dbraw/zinc/34/22/54/1195342254.db2.gz JRBAWFYBMGPUSQ-MRXNPFEDSA-N 0 0 377.489 0.795 10 0 GCAERN CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000116379796 1195342977 /nfs/dbraw/zinc/34/29/77/1195342977.db2.gz WGNWGVPHFIOTSP-MRXNPFEDSA-N 0 0 392.544 0.940 10 0 GCAERN CC[C@@H](C(=O)OC)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000506675460 1195348637 /nfs/dbraw/zinc/34/86/37/1195348637.db2.gz JFDMSIHXKCORPV-JKSUJKDBSA-N 0 0 377.489 0.793 10 0 GCAERN NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439808230 1195354093 /nfs/dbraw/zinc/35/40/93/1195354093.db2.gz HNNSPFWGAAETPX-INIZCTEOSA-N 0 0 380.404 0.575 10 0 GCAERN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCc1ccn(C)n1 ZINC000439842869 1195358158 /nfs/dbraw/zinc/35/81/58/1195358158.db2.gz PLIGWZQJADGJOU-INIZCTEOSA-N 0 0 385.424 0.593 10 0 GCAERN NC(=O)CNC(=O)c1ccc(CNC(=O)Nc2ccc(N3CCC3=O)cc2)cc1 ZINC000439981304 1195372079 /nfs/dbraw/zinc/37/20/79/1195372079.db2.gz SDRSFNOATAKGQK-UHFFFAOYSA-N 0 0 395.419 0.960 10 0 GCAERN COC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2nnnn2C)c1OC(C)C ZINC000440053281 1195378703 /nfs/dbraw/zinc/37/87/03/1195378703.db2.gz RIIDHPZYZGSXSG-UHFFFAOYSA-N 0 0 390.400 0.381 10 0 GCAERN O=C(NCCCOC[C@H]1CCOC1)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440055536 1195379479 /nfs/dbraw/zinc/37/94/79/1195379479.db2.gz VYPYINPJVAMUJZ-CQSZACIVSA-N 0 0 375.425 0.921 10 0 GCAERN Cn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1ccc(N3CCC3=O)cc1)CC2 ZINC000440043850 1195379730 /nfs/dbraw/zinc/37/97/30/1195379730.db2.gz JHDHDBCCLBSJJR-UHFFFAOYSA-N 0 0 381.392 0.040 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC)c2C(F)(F)F)C1 ZINC000440078170 1195382748 /nfs/dbraw/zinc/38/27/48/1195382748.db2.gz WZPKMMOEZVMZRO-SECBINFHSA-N 0 0 390.366 0.780 10 0 GCAERN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000440122322 1195386778 /nfs/dbraw/zinc/38/67/78/1195386778.db2.gz CMNLCGLZDOWVDO-GOSISDBHSA-N 0 0 395.460 0.790 10 0 GCAERN Cc1nc(C)n(Cc2cccc(NC(=O)C(=O)N3CC(=O)N(C)[C@@H](C)C3)c2)n1 ZINC000506786477 1195393496 /nfs/dbraw/zinc/39/34/96/1195393496.db2.gz NWHHYDPIGCFBJH-LBPRGKRZSA-N 0 0 384.440 0.571 10 0 GCAERN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccnn2C)cn1 ZINC000440250618 1195397745 /nfs/dbraw/zinc/39/77/45/1195397745.db2.gz QGRHSNWILKVSGU-OAHLLOKOSA-N 0 0 387.444 0.397 10 0 GCAERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000440309089 1195405101 /nfs/dbraw/zinc/40/51/01/1195405101.db2.gz VDVRFRKWVIAMKX-ZDUSSCGKSA-N 0 0 399.451 0.895 10 0 GCAERN O=C(NCc1cnn(-c2ccccc2)c1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000519434279 1195408422 /nfs/dbraw/zinc/40/84/22/1195408422.db2.gz XUXBTFBZEHKFKP-HXUWFJFHSA-N 0 0 381.436 0.617 10 0 GCAERN C[C@@H]1CN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CCN1CCO ZINC000187692564 1195420337 /nfs/dbraw/zinc/42/03/37/1195420337.db2.gz VQFKQJVFAMOZIG-CQSZACIVSA-N 0 0 382.892 0.735 10 0 GCAERN Cc1cc(NC(=O)CN2CCN(CCO)[C@H](C)C2)n(-c2nc(C)cc(C)n2)n1 ZINC000187720335 1195421172 /nfs/dbraw/zinc/42/11/72/1195421172.db2.gz YEMHZTXCHQBWJM-MRXNPFEDSA-N 0 0 387.488 0.524 10 0 GCAERN COc1ccc(CN2CCN(C(=O)CN3CCN(CCO)[C@H](C)C3)CC2)cc1 ZINC000187662334 1195421204 /nfs/dbraw/zinc/42/12/04/1195421204.db2.gz YUOPKDXMULBRED-GOSISDBHSA-N 0 0 390.528 0.338 10 0 GCAERN C[C@@H]1CN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CCN1CCO ZINC000187732289 1195421703 /nfs/dbraw/zinc/42/17/03/1195421703.db2.gz BSRODXQXBNBRQC-GFCCVEGCSA-N 0 0 379.852 0.253 10 0 GCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000550050845 1195424917 /nfs/dbraw/zinc/42/49/17/1195424917.db2.gz GLUDKTKIYKUCBZ-STQMWFEESA-N 0 0 380.445 0.041 10 0 GCAERN O=C(Nc1ccc(CCN2CCOCC2)cc1)N[C@@H]1CCCN(CCO)C1=O ZINC000473671852 1195436184 /nfs/dbraw/zinc/43/61/84/1195436184.db2.gz YGVNCUCMKDDIDH-GOSISDBHSA-N 0 0 390.484 0.666 10 0 GCAERN COc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H]1CCCN(CCO)C1=O ZINC000473675150 1195438175 /nfs/dbraw/zinc/43/81/75/1195438175.db2.gz JPTQQMFEUIRNRC-ZDUSSCGKSA-N 0 0 378.429 0.502 10 0 GCAERN Cc1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc1NS(C)(=O)=O ZINC000473681144 1195439960 /nfs/dbraw/zinc/43/99/60/1195439960.db2.gz IZBSVBNLIPJKAP-CYBMUJFWSA-N 0 0 384.458 0.471 10 0 GCAERN CC(=O)N1CCC(NC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)CC1 ZINC000550118879 1195441864 /nfs/dbraw/zinc/44/18/64/1195441864.db2.gz YHAUEMNQCPOXBN-SFHVURJKSA-N 0 0 389.452 0.420 10 0 GCAERN CS(=O)(=O)Cc1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1F ZINC000473693020 1195442972 /nfs/dbraw/zinc/44/29/72/1195442972.db2.gz QOFKGXXJPSHXGU-AWEZNQCLSA-N 0 0 387.433 0.475 10 0 GCAERN Cc1nc2ccccc2n1CCNC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000550125962 1195443946 /nfs/dbraw/zinc/44/39/46/1195443946.db2.gz FEKLDZTVGIDVLQ-HXUWFJFHSA-N 0 0 383.452 0.590 10 0 GCAERN CCCNS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000473694487 1195444229 /nfs/dbraw/zinc/44/42/29/1195444229.db2.gz HGOWCVVZNHPHEU-OAHLLOKOSA-N 0 0 398.485 0.480 10 0 GCAERN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N[C@H]1CCCN(CCO)C1=O ZINC000473713049 1195447616 /nfs/dbraw/zinc/44/76/16/1195447616.db2.gz GCPLJKNEFUTTKE-HNNXBMFYSA-N 0 0 392.456 0.892 10 0 GCAERN CN(CC(=O)N1CCNC[C@H]1c1cccnc1)C1=NS(=O)(=O)c2ccccc21 ZINC000262046272 1195450370 /nfs/dbraw/zinc/45/03/70/1195450370.db2.gz UNYUUELHYGKKGD-INIZCTEOSA-N 0 0 399.476 0.635 10 0 GCAERN O=C(NCCc1ccc(-n2cccn2)cc1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000550215243 1195462410 /nfs/dbraw/zinc/46/24/10/1195462410.db2.gz PRLDUHFCKAYJGE-SFHVURJKSA-N 0 0 383.452 0.074 10 0 GCAERN C[C@@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000112114157 1195463647 /nfs/dbraw/zinc/46/36/47/1195463647.db2.gz OIOWSGPKEGZYLQ-KRWDZBQOSA-N 0 0 394.541 0.502 10 0 GCAERN O=C(NCc1ccccc1OC(F)(F)F)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000550240869 1195467771 /nfs/dbraw/zinc/46/77/71/1195467771.db2.gz SXQQRSRLALPINT-CYBMUJFWSA-N 0 0 387.358 0.744 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 ZINC000473813735 1195468808 /nfs/dbraw/zinc/46/88/08/1195468808.db2.gz VJSIJQKVLDFUSI-HIFRSBDPSA-N 0 0 387.440 0.817 10 0 GCAERN CNC(=O)CCN(C)C(=O)C(=O)N[C@H](c1nccn1C)c1ccc(OC)cc1 ZINC000550258344 1195471886 /nfs/dbraw/zinc/47/18/86/1195471886.db2.gz GPTZIRMRZITSNG-INIZCTEOSA-N 0 0 387.440 0.229 10 0 GCAERN COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c1 ZINC000473847908 1195475039 /nfs/dbraw/zinc/47/50/39/1195475039.db2.gz OWGZJFRZCNVXBE-ZDUSSCGKSA-N 0 0 383.430 0.766 10 0 GCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000473848210 1195475443 /nfs/dbraw/zinc/47/54/43/1195475443.db2.gz QEIGFJYJUZDOSQ-GXFFZTMASA-N 0 0 396.473 0.917 10 0 GCAERN Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(=O)[nH]c4)CC3)C2=O)n(C)n1 ZINC000506879294 1195477199 /nfs/dbraw/zinc/47/71/99/1195477199.db2.gz YKLDLDOSCSDAIB-INIZCTEOSA-N 0 0 398.467 0.783 10 0 GCAERN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NCC(=O)NC1CCCCC1 ZINC000507263058 1195507562 /nfs/dbraw/zinc/50/75/62/1195507562.db2.gz NWCYNCRTRLOHHD-UHFFFAOYSA-N 0 0 382.486 0.891 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000487383154 1195550288 /nfs/dbraw/zinc/55/02/88/1195550288.db2.gz XJHQSEHVVVQJBF-CHWSQXEVSA-N 0 0 398.481 0.540 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)nn2C2CCOCC2)[C@@H](C)C1 ZINC000440562714 1195562386 /nfs/dbraw/zinc/56/23/86/1195562386.db2.gz DRQYMOBUZYKWDZ-ZDUSSCGKSA-N 0 0 377.445 0.561 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)nn2Cc2ccccn2)[C@@H](C)C1 ZINC000440573485 1195565572 /nfs/dbraw/zinc/56/55/72/1195565572.db2.gz BQEILRJNPZULAX-AWEZNQCLSA-N 0 0 384.440 0.653 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000519803809 1195571834 /nfs/dbraw/zinc/57/18/34/1195571834.db2.gz XGLUJEFDZDMUTD-DTWKUNHWSA-N 0 0 382.442 0.143 10 0 GCAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000519798562 1195573795 /nfs/dbraw/zinc/57/37/95/1195573795.db2.gz HHIOASZXFNARCS-OLZOCXBDSA-N 0 0 394.453 0.433 10 0 GCAERN CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)cc1 ZINC000440756286 1195579904 /nfs/dbraw/zinc/57/99/04/1195579904.db2.gz VCKFAWVICBBGGN-UHFFFAOYSA-N 0 0 399.455 0.146 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3cnc4ccccc4c3)CC2)[nH]1 ZINC000440752296 1195580210 /nfs/dbraw/zinc/58/02/10/1195580210.db2.gz DPEGKOBDMWONNF-UHFFFAOYSA-N 0 0 379.424 0.944 10 0 GCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000440747699 1195580220 /nfs/dbraw/zinc/58/02/20/1195580220.db2.gz MNYCPKWPVQBNSZ-UHFFFAOYSA-N 0 0 399.455 0.379 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)CCC4)CC2)[nH]1 ZINC000440751861 1195580273 /nfs/dbraw/zinc/58/02/73/1195580273.db2.gz CXGLUPZZYICRGD-UHFFFAOYSA-N 0 0 396.451 0.915 10 0 GCAERN COC(=O)c1sccc1NC(=O)C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000440752746 1195580318 /nfs/dbraw/zinc/58/03/18/1195580318.db2.gz IMPGZVBZCSOYRK-UHFFFAOYSA-N 0 0 392.441 0.244 10 0 GCAERN CCc1nc(C)c(NC(=O)C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)s1 ZINC000440750386 1195580342 /nfs/dbraw/zinc/58/03/42/1195580342.db2.gz DIHWCZLYTXQFCO-UHFFFAOYSA-N 0 0 377.474 0.723 10 0 GCAERN CCO[C@@H]1C[C@@](NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)(C(=O)OC)C1(C)C ZINC000440842760 1195585918 /nfs/dbraw/zinc/58/59/18/1195585918.db2.gz FQFHCJIHXNMDPJ-PJIJBLCYSA-N 0 0 394.472 0.766 10 0 GCAERN COc1c(F)cc(CC(=O)N[C@@H](C)CO[C@@H]2CCOC2)cc1S(N)(=O)=O ZINC000440873735 1195587768 /nfs/dbraw/zinc/58/77/68/1195587768.db2.gz KDNQFXJHDXLUDY-CMPLNLGQSA-N 0 0 390.433 0.334 10 0 GCAERN COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN(C)CCCO)nc(=O)c12 ZINC000440938994 1195590215 /nfs/dbraw/zinc/59/02/15/1195590215.db2.gz BAGQBRYCDVRRNV-UHFFFAOYSA-N 0 0 383.426 0.301 10 0 GCAERN Cn1nccc1[C@@H]1CCCCN1C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000520206084 1195606406 /nfs/dbraw/zinc/60/64/06/1195606406.db2.gz WHXNKEKTTURVJQ-AWEZNQCLSA-N 0 0 384.440 0.677 10 0 GCAERN O=C(NCc1nnc2ccccn21)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000520259192 1195610950 /nfs/dbraw/zinc/61/09/50/1195610950.db2.gz YJQGXYKZFJSWOI-AWEZNQCLSA-N 0 0 382.424 0.892 10 0 GCAERN COc1cccc(-c2cc(NC(=O)C(=O)N[C@@H]3CC[S@@](=O)C3)n(C)n2)c1 ZINC000441225356 1195614146 /nfs/dbraw/zinc/61/41/46/1195614146.db2.gz FMJWYFRXULKQCH-MZHQLVBMSA-N 0 0 376.438 0.671 10 0 GCAERN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000441257917 1195616521 /nfs/dbraw/zinc/61/65/21/1195616521.db2.gz PPBZTXWUAVEJMB-UONOGXRCSA-N 0 0 378.477 1.220 10 0 GCAERN CN1CCN(c2ccc(-c3noc(C(C)(C)NS(C)(=O)=O)n3)cn2)CC1 ZINC000520297274 1195617872 /nfs/dbraw/zinc/61/78/72/1195617872.db2.gz RTVYMRZDBGMYBJ-UHFFFAOYSA-N 0 0 380.474 0.668 10 0 GCAERN COCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CC(n4ccnn4)C3)ccc21 ZINC000441300790 1195619857 /nfs/dbraw/zinc/61/98/57/1195619857.db2.gz GJRSTHQDDQNDFC-UHFFFAOYSA-N 0 0 398.423 0.226 10 0 GCAERN O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)C(=O)N1CC(n2ccnn2)C1 ZINC000441289427 1195620557 /nfs/dbraw/zinc/62/05/57/1195620557.db2.gz MWLQOSNXZAYNNB-UHFFFAOYSA-N 0 0 392.423 0.895 10 0 GCAERN C[C@H](c1cccc(NC(=O)C(=O)N2CC(n3ccnn3)C2)c1)N1CCOCC1 ZINC000441317577 1195622180 /nfs/dbraw/zinc/62/21/80/1195622180.db2.gz XVORKKHZKHSCIZ-CQSZACIVSA-N 0 0 384.440 0.693 10 0 GCAERN CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000441334131 1195622577 /nfs/dbraw/zinc/62/25/77/1195622577.db2.gz CDVKHLUAMWIJON-HNNXBMFYSA-N 0 0 392.330 0.997 10 0 GCAERN Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000441410278 1195632329 /nfs/dbraw/zinc/63/23/29/1195632329.db2.gz LAIUBXLTMCORFW-CQSZACIVSA-N 0 0 384.440 0.980 10 0 GCAERN Cc1occc1C(=O)NCC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000112727431 1195640764 /nfs/dbraw/zinc/64/07/64/1195640764.db2.gz DMNVOTYVNFHNPN-UHFFFAOYSA-N 0 0 376.457 0.378 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CNCC(F)(F)F)CC1 ZINC000112896745 1195644876 /nfs/dbraw/zinc/64/48/76/1195644876.db2.gz HCPBXLFQCQMCRS-UHFFFAOYSA-N 0 0 394.419 0.395 10 0 GCAERN O=C(NCc1c(Cl)cccc1-n1ccnc1)NC[C@@H](O)Cn1ccnn1 ZINC000458890494 1195656159 /nfs/dbraw/zinc/65/61/59/1195656159.db2.gz UGZZIIYDNVSQAA-GFCCVEGCSA-N 0 0 375.820 0.978 10 0 GCAERN CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000328805196 1195665331 /nfs/dbraw/zinc/66/53/31/1195665331.db2.gz KOAPPHUIQBFYGY-HNNXBMFYSA-N 0 0 392.485 0.899 10 0 GCAERN Cc1cc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)nn1C ZINC000328865567 1195672054 /nfs/dbraw/zinc/67/20/54/1195672054.db2.gz WLVOEOJZNCBTHH-HNNXBMFYSA-N 0 0 399.499 0.305 10 0 GCAERN CC(=O)N[C@](C)(C(=O)N1CC[C@H](C)[C@H](O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000331214665 1195723965 /nfs/dbraw/zinc/72/39/65/1195723965.db2.gz BVDFAORGNZZDFR-XZOAIXRZSA-N 0 0 382.482 0.671 10 0 GCAERN CC(=O)N1CCN(Cc2cccc(NC(=O)CS(=O)(=O)N(C)C)c2)CC1 ZINC000331268457 1195724741 /nfs/dbraw/zinc/72/47/41/1195724741.db2.gz DPAWZLPJDDFHMH-UHFFFAOYSA-N 0 0 382.486 0.181 10 0 GCAERN CCN(CC)C(=O)CN1CCN(C(=O)NCCc2cccc(OC)n2)CC1 ZINC000441444835 1195731962 /nfs/dbraw/zinc/73/19/62/1195731962.db2.gz DZRRBLAKPSBEEM-UHFFFAOYSA-N 0 0 377.489 0.828 10 0 GCAERN COc1cccc(CCNC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1 ZINC000441445289 1195732530 /nfs/dbraw/zinc/73/25/30/1195732530.db2.gz FYGKRIYPEQNACU-CQSZACIVSA-N 0 0 375.473 0.627 10 0 GCAERN CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000458960262 1195737980 /nfs/dbraw/zinc/73/79/80/1195737980.db2.gz SAORKRZRJGFASL-HOCLYGCPSA-N 0 0 385.486 0.804 10 0 GCAERN COc1cc(OC)c(C[C@@H](C)NC(=O)NC[C@@H](O)Cn2ccnn2)c(OC)c1 ZINC000458971238 1195739723 /nfs/dbraw/zinc/73/97/23/1195739723.db2.gz TZONIVBUDILGGT-CHWSQXEVSA-N 0 0 393.444 0.595 10 0 GCAERN CN(C)c1nccc([C@H]2CN(C(=O)NCC3([S@@](C)=O)CCC3)CCO2)n1 ZINC000280808107 1195744658 /nfs/dbraw/zinc/74/46/58/1195744658.db2.gz QYPFRTZJINSGCM-IYJVBRSBSA-N 0 0 381.502 0.927 10 0 GCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@H](CO)c2cccnc2)c1 ZINC000520467107 1195745608 /nfs/dbraw/zinc/74/56/08/1195745608.db2.gz ATUWIYZCWKJDGJ-MRXNPFEDSA-N 0 0 391.449 0.455 10 0 GCAERN CCc1nn(C)c(CC)c1S(=O)(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000614559662 1195747250 /nfs/dbraw/zinc/74/72/50/1195747250.db2.gz RPMDVWCJXYNMGW-UHFFFAOYSA-N 0 0 386.518 0.803 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)n(-c2ccccc2F)n1 ZINC000190034630 1195755798 /nfs/dbraw/zinc/75/57/98/1195755798.db2.gz RVLUWGUNWJBIGO-AWEZNQCLSA-N 0 0 389.431 0.783 10 0 GCAERN Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N3CCN(CCO)[C@H](C)C3)c2)n1 ZINC000190045500 1195756041 /nfs/dbraw/zinc/75/60/41/1195756041.db2.gz RQDWJHILQOBXHO-MRXNPFEDSA-N 0 0 385.468 0.953 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000487391459 1195757847 /nfs/dbraw/zinc/75/78/47/1195757847.db2.gz IZGLACSQQCKSPY-QWRGUYRKSA-N 0 0 386.426 0.192 10 0 GCAERN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000536411867 1195763394 /nfs/dbraw/zinc/76/33/94/1195763394.db2.gz QTSSJJDJPWTWKM-CHWSQXEVSA-N 0 0 397.453 0.355 10 0 GCAERN COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC ZINC000536428663 1195767390 /nfs/dbraw/zinc/76/73/90/1195767390.db2.gz ZHQPABNGUBBPFH-OLZOCXBDSA-N 0 0 398.437 0.341 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)cn1C ZINC000181015743 1195771110 /nfs/dbraw/zinc/77/11/10/1195771110.db2.gz HKHJZAZTXHBKME-UHFFFAOYSA-N 0 0 391.497 0.628 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cn1C ZINC000181175276 1195772287 /nfs/dbraw/zinc/77/22/87/1195772287.db2.gz PTTSIRMCYWJQHB-NSHDSACASA-N 0 0 396.435 0.889 10 0 GCAERN COC(=O)[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000473992874 1195773969 /nfs/dbraw/zinc/77/39/69/1195773969.db2.gz RHBRUTPAOZTIEH-CYBMUJFWSA-N 0 0 383.470 0.760 10 0 GCAERN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CCC12CCC2 ZINC000441527411 1195777158 /nfs/dbraw/zinc/77/71/58/1195777158.db2.gz WJACKDUQIGGITN-UHFFFAOYSA-N 0 0 393.465 0.801 10 0 GCAERN C[C@H](C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)N(C)CC(F)(F)F ZINC000192634525 1195805375 /nfs/dbraw/zinc/80/53/75/1195805375.db2.gz UBIAGWIAFZHUIT-GFCCVEGCSA-N 0 0 394.419 0.797 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2c(C)noc2C2CC2)CC1 ZINC000441664957 1195812080 /nfs/dbraw/zinc/81/20/80/1195812080.db2.gz HABYAILMTMUUHU-UHFFFAOYSA-N 0 0 378.429 0.895 10 0 GCAERN COC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)c1 ZINC000441678262 1195817045 /nfs/dbraw/zinc/81/70/45/1195817045.db2.gz JBYLKSSHYQAPAX-UHFFFAOYSA-N 0 0 391.424 0.508 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCc3c2cccc3F)CC1 ZINC000441677670 1195817509 /nfs/dbraw/zinc/81/75/09/1195817509.db2.gz NWPBYVYUNHOIFT-UHFFFAOYSA-N 0 0 377.416 0.811 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC2(CC(N)=O)CCC2)cc1 ZINC000427619868 1195821589 /nfs/dbraw/zinc/82/15/89/1195821589.db2.gz CARBLSRSPMYZGH-UHFFFAOYSA-N 0 0 381.454 0.472 10 0 GCAERN COC(=O)C(C)(C)N1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000614651029 1195824044 /nfs/dbraw/zinc/82/40/44/1195824044.db2.gz UUAWASLROAORTN-UHFFFAOYSA-N 0 0 388.424 0.599 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000487398785 1195826259 /nfs/dbraw/zinc/82/62/59/1195826259.db2.gz BDRORYRZOAHXLZ-NEPJUHHUSA-N 0 0 384.454 0.746 10 0 GCAERN CCNS(=O)(=O)c1cccc(CNC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000459188128 1195840582 /nfs/dbraw/zinc/84/05/82/1195840582.db2.gz HAWZANWOIDKHDP-OAHLLOKOSA-N 0 0 382.486 0.211 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)N3CCC(S(N)(=O)=O)CC3)c2)n1 ZINC000441790455 1195849200 /nfs/dbraw/zinc/84/92/00/1195849200.db2.gz BAFKANJNCQEXJP-UHFFFAOYSA-N 0 0 393.473 0.618 10 0 GCAERN CN(C)c1ncn(-c2cccc(NC(=O)NCC3CN(S(C)(=O)=O)C3)c2)n1 ZINC000441797589 1195850646 /nfs/dbraw/zinc/85/06/46/1195850646.db2.gz FVSQQLCIRQJVNK-UHFFFAOYSA-N 0 0 393.473 0.346 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000487401832 1195855630 /nfs/dbraw/zinc/85/56/30/1195855630.db2.gz SPCJJILYKXTSFQ-WDEREUQCSA-N 0 0 388.442 0.438 10 0 GCAERN Cc1cc(N2CCC[C@@H](NC(=O)N(C)C[C@H](O)C(F)(F)F)C2=O)n(C)n1 ZINC000186343748 1195859938 /nfs/dbraw/zinc/85/99/38/1195859938.db2.gz DFKPQZCBVKPTKU-MNOVXSKESA-N 0 0 377.367 0.789 10 0 GCAERN Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC000507849624 1195864725 /nfs/dbraw/zinc/86/47/25/1195864725.db2.gz DBMUZRIMHZESNT-INIZCTEOSA-N 0 0 384.488 0.510 10 0 GCAERN COCCCNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000507929180 1195875080 /nfs/dbraw/zinc/87/50/80/1195875080.db2.gz SLNAVPSXGZWHRE-INIZCTEOSA-N 0 0 392.504 0.588 10 0 GCAERN C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2nnnn2CC(F)(F)F)CC1 ZINC000190863449 1195879522 /nfs/dbraw/zinc/87/95/22/1195879522.db2.gz JGDIQLKHNYNQRI-GFCCVEGCSA-N 0 0 389.426 0.800 10 0 GCAERN Cc1noc(CN2CCN(C(=O)Nc3ccc(S(C)(=O)=O)nc3)CC2)n1 ZINC000508097305 1195899915 /nfs/dbraw/zinc/89/99/15/1195899915.db2.gz UACGHGBPUHHXTI-UHFFFAOYSA-N 0 0 380.430 0.526 10 0 GCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000508280092 1195913661 /nfs/dbraw/zinc/91/36/61/1195913661.db2.gz PHSHVPUUWVIIMO-OAHLLOKOSA-N 0 0 391.516 0.241 10 0 GCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000428186225 1195917334 /nfs/dbraw/zinc/91/73/34/1195917334.db2.gz VOQINZPXPNWKGC-STQMWFEESA-N 0 0 384.506 0.789 10 0 GCAERN COC(=O)C[C@@H]1CN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CCO1 ZINC000441887049 1195928280 /nfs/dbraw/zinc/92/82/80/1195928280.db2.gz KOVFKDXYSFZBHX-LLVKDONJSA-N 0 0 388.417 0.432 10 0 GCAERN COC[C@](C)(CC(=O)OC)NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000441914629 1195931441 /nfs/dbraw/zinc/93/14/41/1195931441.db2.gz AMIDXDVYJFPMAE-INIZCTEOSA-N 0 0 390.433 0.726 10 0 GCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)c1 ZINC000441973012 1195937633 /nfs/dbraw/zinc/93/76/33/1195937633.db2.gz FVIPIBZHQRQYQI-LJQANCHMSA-N 0 0 393.440 0.817 10 0 GCAERN CN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 ZINC000520932042 1195939081 /nfs/dbraw/zinc/93/90/81/1195939081.db2.gz YJWCRVNOMPKCFL-OAHLLOKOSA-N 0 0 395.481 0.352 10 0 GCAERN CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)C12CCC2 ZINC000442023415 1195943805 /nfs/dbraw/zinc/94/38/05/1195943805.db2.gz CFASPUVJRZEESK-LSDHHAIUSA-N 0 0 395.481 0.997 10 0 GCAERN O=C(Nc1ccnn1Cc1ccccn1)C(=O)N1CCSC[C@@H]1CCO ZINC000442052534 1195946610 /nfs/dbraw/zinc/94/66/10/1195946610.db2.gz PULPXYTURGORSE-AWEZNQCLSA-N 0 0 375.454 0.591 10 0 GCAERN O=C(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)N1CCSC[C@H]1CCO ZINC000442051639 1195946707 /nfs/dbraw/zinc/94/67/07/1195946707.db2.gz ORQKEXAWQMHDHN-OAHLLOKOSA-N 0 0 377.466 0.844 10 0 GCAERN COc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1NC(C)=O ZINC000442056899 1195947042 /nfs/dbraw/zinc/94/70/42/1195947042.db2.gz NGOYHJOUROCSBS-ZDUSSCGKSA-N 0 0 381.454 0.919 10 0 GCAERN O=C(Nc1ccccc1CN1CCOCC1)C(=O)N1CCSC[C@@H]1CCO ZINC000442077044 1195949750 /nfs/dbraw/zinc/94/97/50/1195949750.db2.gz JKKBSXGUWKXVCE-INIZCTEOSA-N 0 0 393.509 0.784 10 0 GCAERN COC(=O)COc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000442084901 1195950637 /nfs/dbraw/zinc/95/06/37/1195950637.db2.gz UUYJDTUDZFLFKS-ZDUSSCGKSA-N 0 0 382.438 0.503 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)n(-c2ccc(C)nn2)n1 ZINC000442084195 1195950680 /nfs/dbraw/zinc/95/06/80/1195950680.db2.gz QVFHDWGQWORAIE-ZDUSSCGKSA-N 0 0 390.469 0.544 10 0 GCAERN CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)c1 ZINC000442084332 1195950770 /nfs/dbraw/zinc/95/07/70/1195950770.db2.gz MKHQSULHLNHBKO-AWEZNQCLSA-N 0 0 395.481 0.419 10 0 GCAERN COC(=O)CCOc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000442081772 1195950830 /nfs/dbraw/zinc/95/08/30/1195950830.db2.gz CSXIZUBVTRNORH-AWEZNQCLSA-N 0 0 396.465 0.893 10 0 GCAERN O=C(Nc1cccc(N2CCCNC2=O)c1)C(=O)N1CCSC[C@@H]1CCO ZINC000442070603 1195951721 /nfs/dbraw/zinc/95/17/21/1195951721.db2.gz BOVKDLAWZZHXDB-HNNXBMFYSA-N 0 0 392.481 0.871 10 0 GCAERN CNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ncco2)CC1 ZINC000665272420 1195952096 /nfs/dbraw/zinc/95/20/96/1195952096.db2.gz FCOPCNNRNWRXFA-HNNXBMFYSA-N 0 0 393.469 0.750 10 0 GCAERN O=C(Nc1cc(F)cc(N2CCOCC2)c1)C(=O)N1CCSC[C@@H]1CCO ZINC000442095109 1195952193 /nfs/dbraw/zinc/95/21/93/1195952193.db2.gz VJALOGPYOYZIEV-HNNXBMFYSA-N 0 0 397.472 0.927 10 0 GCAERN O=C(Nc1cc(F)cc(N2CCOCC2)c1)C(=O)N1CCSC[C@H]1CCO ZINC000442095110 1195952231 /nfs/dbraw/zinc/95/22/31/1195952231.db2.gz VJALOGPYOYZIEV-OAHLLOKOSA-N 0 0 397.472 0.927 10 0 GCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000487415746 1195952874 /nfs/dbraw/zinc/95/28/74/1195952874.db2.gz WBAGSKOPZKWHKQ-SRVKXCTJSA-N 0 0 384.454 0.745 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCSC[C@H]2CCO)n(Cc2ccccn2)n1 ZINC000442107181 1195954229 /nfs/dbraw/zinc/95/42/29/1195954229.db2.gz HTGVVGBOVNIWDR-OAHLLOKOSA-N 0 0 389.481 0.900 10 0 GCAERN NC(=O)CCOc1ccccc1NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000442109392 1195954325 /nfs/dbraw/zinc/95/43/25/1195954325.db2.gz LFNYRMHLDZUXJH-GFCCVEGCSA-N 0 0 381.454 0.206 10 0 GCAERN CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)c1 ZINC000442114048 1195954879 /nfs/dbraw/zinc/95/48/79/1195954879.db2.gz YAIXXIWJLZUATQ-IUODEOHRSA-N 0 0 395.481 0.925 10 0 GCAERN CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)ccc1F ZINC000442115705 1195955219 /nfs/dbraw/zinc/95/52/19/1195955219.db2.gz UHNDYEMDLMVYMA-LBPRGKRZSA-N 0 0 383.445 0.792 10 0 GCAERN COc1ccc(F)c(NC(=O)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1 ZINC000442139016 1195957513 /nfs/dbraw/zinc/95/75/13/1195957513.db2.gz PQIXGZWSXHRWIS-HUTHGQBESA-N 0 0 378.360 0.267 10 0 GCAERN COc1ccc(F)c(NC(=O)C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c1 ZINC000442139018 1195957620 /nfs/dbraw/zinc/95/76/20/1195957620.db2.gz PQIXGZWSXHRWIS-XLFHBGCDSA-N 0 0 378.360 0.267 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NC[C@@H](C)COC)CC1 ZINC000508383950 1195959628 /nfs/dbraw/zinc/95/96/28/1195959628.db2.gz FITKWQSHQKLAMW-CQSZACIVSA-N 0 0 384.502 0.709 10 0 GCAERN Cc1csc2ncc(C(=O)N[C@@H]3CCCN(c4ccnn4C)C3=O)c(=O)n12 ZINC000521144222 1195966266 /nfs/dbraw/zinc/96/62/66/1195966266.db2.gz OIZSNBIMQJXLMC-GFCCVEGCSA-N 0 0 386.437 0.723 10 0 GCAERN O=C(Nc1ccc2c(c1)OC(F)(F)O2)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442254682 1195966443 /nfs/dbraw/zinc/96/64/43/1195966443.db2.gz DNRPAILSHZOYOD-SNVBAGLBSA-N 0 0 385.323 0.046 10 0 GCAERN COc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c2cccnc12 ZINC000442259430 1195967168 /nfs/dbraw/zinc/96/71/68/1195967168.db2.gz LWLBQEJTVDHPTR-AWEZNQCLSA-N 0 0 386.408 0.281 10 0 GCAERN CC(C)Oc1c(F)cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1F ZINC000442264113 1195967578 /nfs/dbraw/zinc/96/75/78/1195967578.db2.gz HQSFZGXJOFKZMU-CQSZACIVSA-N 0 0 399.394 0.790 10 0 GCAERN CC(C)n1ncc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc21 ZINC000442269325 1195969104 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NC(=O)COc1cccc(CNC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)c1 ZINC000442357715 1195978535 /nfs/dbraw/zinc/97/85/35/1195978535.db2.gz ZLUGRFBZYQSWSE-UHFFFAOYSA-N 0 0 397.435 0.801 10 0 GCAERN CCc1cnc(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)s1 ZINC000442405621 1195983541 /nfs/dbraw/zinc/98/35/41/1195983541.db2.gz HFISIWZDSJLIDI-UHFFFAOYSA-N 0 0 396.494 0.911 10 0 GCAERN NS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccnc2-n2ccnc2)c1 ZINC000113461899 1195989880 /nfs/dbraw/zinc/98/98/80/1195989880.db2.gz QGURNGZEIJAWAX-UHFFFAOYSA-N 0 0 375.385 0.984 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC3(C2)CCOCC3)c1 ZINC000442652493 1195998270 /nfs/dbraw/zinc/99/82/70/1195998270.db2.gz TZLFUKGCIVRSFH-UHFFFAOYSA-N 0 0 381.454 0.562 10 0 GCAERN Cc1c(C(=O)Nc2ccc(N3CCC3=O)cc2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000521534831 1196000350 /nfs/dbraw/zinc/00/03/50/1196000350.db2.gz OIBSUBDFUDLZFR-UHFFFAOYSA-N 0 0 393.403 0.930 10 0 GCAERN CN1C(=O)CCc2cc(NC(=O)C(=O)NCc3nnc4ccccn43)ccc21 ZINC000521550078 1196000941 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399.495 0.619 10 0 GCAERN COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000443201234 1196027402 /nfs/dbraw/zinc/02/74/02/1196027402.db2.gz HWIBWDWBUUIVJW-UHFFFAOYSA-N 0 0 397.497 0.646 10 0 GCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000443201471 1196027513 /nfs/dbraw/zinc/02/75/13/1196027513.db2.gz VPAAJSHLMDSUIT-NWDGAFQWSA-N 0 0 399.469 0.123 10 0 GCAERN CCOC(=O)c1cc(NC(=O)C(=O)N(C)CCCO)cc(S(C)(=O)=O)c1 ZINC000443263893 1196032387 /nfs/dbraw/zinc/03/23/87/1196032387.db2.gz BFSFOVVEZIQJHW-UHFFFAOYSA-N 0 0 386.426 0.046 10 0 GCAERN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000522023279 1196035309 /nfs/dbraw/zinc/03/53/09/1196035309.db2.gz IHOFTKSGWYPSGE-QZTJIDSGSA-N 0 0 394.431 0.983 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)no1 ZINC000443367908 1196042691 /nfs/dbraw/zinc/04/26/91/1196042691.db2.gz WZSMULOMAGAEOZ-KRWDZBQOSA-N 0 0 393.444 0.599 10 0 GCAERN 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GNIXLGSULQZZLF-UKRRQHHQSA-N 0 0 376.409 0.666 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC12COC2 ZINC000452220830 1197046474 /nfs/dbraw/zinc/04/64/74/1197046474.db2.gz IFTJCPLWBDUYDG-QLFBSQMISA-N 0 0 392.452 0.590 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC12COC2 ZINC000452219873 1197046681 /nfs/dbraw/zinc/04/66/81/1197046681.db2.gz JSDRPWDRTQAUOS-CABCVRRESA-N 0 0 393.461 0.986 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC12COC2 ZINC000452219627 1197046691 /nfs/dbraw/zinc/04/66/91/1197046691.db2.gz GNIXLGSULQZZLF-ZFWWWQNUSA-N 0 0 376.409 0.666 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)CC12COC2 ZINC000452230730 1197046852 /nfs/dbraw/zinc/04/68/52/1197046852.db2.gz SEWRPDIROQYVKF-OAHLLOKOSA-N 0 0 383.404 0.884 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC12COC2 ZINC000452233170 1197046899 /nfs/dbraw/zinc/04/68/99/1197046899.db2.gz YIWJOYLQLBELLO-HNNXBMFYSA-N 0 0 386.404 0.711 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CC12COC2 ZINC000452232889 1197046942 /nfs/dbraw/zinc/04/69/42/1197046942.db2.gz XRYQQROWLXYMRI-HNNXBMFYSA-N 0 0 388.420 0.988 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C[C@H](NC(N)=O)c2cccs2)CC12COC2 ZINC000452233395 1197046998 /nfs/dbraw/zinc/04/69/98/1197046998.db2.gz ZIIUZPYWAWKIDQ-NEPJUHHUSA-N 0 0 381.454 0.886 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2)CC12COC2 ZINC000452232432 1197047036 /nfs/dbraw/zinc/04/70/36/1197047036.db2.gz WLXXPIHYSUCSPF-ZFWWWQNUSA-N 0 0 396.465 0.392 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2ccccc2S(C)(=O)=O)CC12COC2 ZINC000452230985 1197047117 /nfs/dbraw/zinc/04/71/17/1197047117.db2.gz YTHJFBWBDSJZOK-AWEZNQCLSA-N 0 0 381.450 0.671 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cnc3scc(C)n3c2=O)CC12COC2 ZINC000452252087 1197047536 /nfs/dbraw/zinc/04/75/36/1197047536.db2.gz DBXNZYXKDSNKMH-LBPRGKRZSA-N 0 0 377.422 0.716 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)CNC(=O)c2cc(F)cc(F)c2)CC12COC2 ZINC000452251559 1197047543 /nfs/dbraw/zinc/04/75/43/1197047543.db2.gz CQMQIORMPHMXHO-AWEZNQCLSA-N 0 0 382.363 0.733 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC12COC2 ZINC000452225211 1197047624 /nfs/dbraw/zinc/04/76/24/1197047624.db2.gz QFGXSNKOKSXSLR-NWDGAFQWSA-N 0 0 380.363 0.288 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(-n3nnnc3C)cc2F)CC12COC2 ZINC000452225011 1197047712 /nfs/dbraw/zinc/04/77/12/1197047712.db2.gz PYLHZHHPALFLFV-CQSZACIVSA-N 0 0 389.387 0.762 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(-n3nnnc3C)cc2F)CC12COC2 ZINC000452225000 1197047743 /nfs/dbraw/zinc/04/77/43/1197047743.db2.gz PYLHZHHPALFLFV-AWEZNQCLSA-N 0 0 389.387 0.762 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2cc(OC)c(O)c(OC)c2)CC12COC2 ZINC000452256104 1197048220 /nfs/dbraw/zinc/04/82/20/1197048220.db2.gz HCHBFUVONXMEEF-CYBMUJFWSA-N 0 0 379.409 0.990 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)CNC(=O)c2ccc(F)c(F)c2)CC12COC2 ZINC000452256839 1197048865 /nfs/dbraw/zinc/04/88/65/1197048865.db2.gz HPGFACCATJGGBM-GFCCVEGCSA-N 0 0 382.363 0.733 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)CNC(=O)Cc2cccc(F)c2)CC12COC2 ZINC000452266918 1197049201 /nfs/dbraw/zinc/04/92/01/1197049201.db2.gz UHZKWPXILJLKEJ-OAHLLOKOSA-N 0 0 378.400 0.523 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)CCNC(=O)c2ccc(C)cc2O)CC12COC2 ZINC000452266962 1197049208 /nfs/dbraw/zinc/04/92/08/1197049208.db2.gz UNVULVCDGVDLDO-OAHLLOKOSA-N 0 0 390.436 0.859 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC12COC2 ZINC000452268687 1197049353 /nfs/dbraw/zinc/04/93/53/1197049353.db2.gz XFJQPKLILZJXNT-MSOLQXFVSA-N 0 0 388.464 0.926 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CO)c2ccccc2C)c1 ZINC000531166136 1197050588 /nfs/dbraw/zinc/05/05/88/1197050588.db2.gz MTUUMXOIPYGTCS-MRXNPFEDSA-N 0 0 391.449 0.691 10 0 GCAERN CC[C@H](CNS(C)(=O)=O)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000452534658 1197066879 /nfs/dbraw/zinc/06/68/79/1197066879.db2.gz NIPBOAIGVGZXJD-UKRRQHHQSA-N 0 0 383.470 0.862 10 0 GCAERN CC[C@@H](CNS(C)(=O)=O)NC(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000452543858 1197067709 /nfs/dbraw/zinc/06/77/09/1197067709.db2.gz QOVNXHXRWSFUON-ZDUSSCGKSA-N 0 0 395.481 0.897 10 0 GCAERN CC[C@H](CNS(C)(=O)=O)NC(=O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000452544024 1197067881 /nfs/dbraw/zinc/06/78/81/1197067881.db2.gz QFLSLYWDIDYUPQ-OAHLLOKOSA-N 0 0 399.513 0.506 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC12COC2 ZINC000452614401 1197070965 /nfs/dbraw/zinc/07/09/65/1197070965.db2.gz PWYBPJZNOYDPFK-OLZOCXBDSA-N 0 0 384.498 0.972 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)CNC(=O)Cc2ccc(O)cc2)CC12COC2 ZINC000452608455 1197071501 /nfs/dbraw/zinc/07/15/01/1197071501.db2.gz ASBXSQKNNNNEGX-HNNXBMFYSA-N 0 0 376.409 0.089 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)n2nnnc2C)CC12COC2 ZINC000452619622 1197073485 /nfs/dbraw/zinc/07/34/85/1197073485.db2.gz YBXHFJXRBYXQHE-DLBZAZTESA-N 0 0 399.451 0.803 10 0 GCAERN COC[C@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)c1ccc(F)cc1 ZINC000531446662 1197075546 /nfs/dbraw/zinc/07/55/46/1197075546.db2.gz CWWMGWRYQKEANW-AWEZNQCLSA-N 0 0 388.399 0.832 10 0 GCAERN COc1cc(OC)c(C[C@H](C)NC(=O)CN2CCN(C)C(=O)C2)c(OC)c1 ZINC000452694592 1197076774 /nfs/dbraw/zinc/07/67/74/1197076774.db2.gz BLORSQNGJUCGMB-ZDUSSCGKSA-N 0 0 379.457 0.534 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)N(C)CC3)CC1 ZINC000531480178 1197077552 /nfs/dbraw/zinc/07/75/52/1197077552.db2.gz FSAKEJMNESFNDK-UHFFFAOYSA-N 0 0 394.497 0.038 10 0 GCAERN CN(Cc1nnnn1C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000531558410 1197084200 /nfs/dbraw/zinc/08/42/00/1197084200.db2.gz WQPAILUSPPNYCW-CQSZACIVSA-N 0 0 378.458 0.412 10 0 GCAERN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3nnnn3C)cc2)C1 ZINC000531557986 1197084262 /nfs/dbraw/zinc/08/42/62/1197084262.db2.gz PFRPOAJSKKPVNI-ZDUSSCGKSA-N 0 0 392.485 0.903 10 0 GCAERN C[C@@H](Sc1ncccc1C(=O)N(C)Cc1nnnn1C)C(=O)N1CCCC1 ZINC000531558538 1197084708 /nfs/dbraw/zinc/08/47/08/1197084708.db2.gz MYLDZRZVRAULMX-GFCCVEGCSA-N 0 0 389.485 0.980 10 0 GCAERN C[C@H]1CN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC(=O)N1 ZINC000453048034 1197094444 /nfs/dbraw/zinc/09/44/44/1197094444.db2.gz UEWPAEZBLFUEOW-JTQLQIEISA-N 0 0 380.401 0.915 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000531918765 1197104143 /nfs/dbraw/zinc/10/41/43/1197104143.db2.gz OVSTYYHTFVHNQT-IRXDYDNUSA-N 0 0 381.498 0.968 10 0 GCAERN CSC[C@H](C(=O)N(C)Cc1nnnn1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000532068456 1197109683 /nfs/dbraw/zinc/10/96/83/1197109683.db2.gz QDYPSDPOLWRSAU-GRYCIOLGSA-N 0 0 380.474 0.075 10 0 GCAERN CNS(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000532078924 1197111978 /nfs/dbraw/zinc/11/19/78/1197111978.db2.gz DEIXUICQZJUREM-UHFFFAOYSA-N 0 0 394.474 0.855 10 0 GCAERN Cc1cc(NC(=O)C(=O)N2CCN(c3ccnc(C)n3)CC2)cc(C(N)=O)c1 ZINC000453687649 1197120229 /nfs/dbraw/zinc/12/02/29/1197120229.db2.gz KSRRICJEORNBGC-UHFFFAOYSA-N 0 0 382.424 0.480 10 0 GCAERN O=C(Nc1ccc(O[C@@H]2CC(=O)N2)cc1)C(=O)N[C@H](CO)CC1CCCC1 ZINC000453694527 1197121278 /nfs/dbraw/zinc/12/12/78/1197121278.db2.gz VYRVYXXZNGTVCJ-WMLDXEAASA-N 0 0 375.425 0.907 10 0 GCAERN CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2cn(C)nc2C2CCCCC2)C1 ZINC000453685177 1197122756 /nfs/dbraw/zinc/12/27/56/1197122756.db2.gz ADFGCHDLBJDYBD-UHFFFAOYSA-N 0 0 391.472 0.722 10 0 GCAERN CC(=O)N1CCN(C(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)[C@H](C)C1 ZINC000532170490 1197123189 /nfs/dbraw/zinc/12/31/89/1197123189.db2.gz FLONTMYSYKPEBG-CYBMUJFWSA-N 0 0 382.420 0.703 10 0 GCAERN CC(=O)N1CCN(C(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)[C@@H](C)C1 ZINC000532170491 1197123298 /nfs/dbraw/zinc/12/32/98/1197123298.db2.gz FLONTMYSYKPEBG-ZDUSSCGKSA-N 0 0 382.420 0.703 10 0 GCAERN Cn1cc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)c(C2CCCCC2)n1 ZINC000453707236 1197124543 /nfs/dbraw/zinc/12/45/43/1197124543.db2.gz JHNVXAGLMVYUDV-ZDUSSCGKSA-N 0 0 397.501 0.686 10 0 GCAERN CO[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)C1 ZINC000453731581 1197127202 /nfs/dbraw/zinc/12/72/02/1197127202.db2.gz LCSGUZJTZMLZSH-OLZOCXBDSA-N 0 0 383.470 0.868 10 0 GCAERN Cc1c(NC(=O)C(=O)N2CC[C@H](CO)[C@H]2C)cccc1S(=O)(=O)N(C)C ZINC000453742634 1197128000 /nfs/dbraw/zinc/12/80/00/1197128000.db2.gz QNTCYHQQCYSBAU-CHWSQXEVSA-N 0 0 383.470 0.413 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CC12COC2 ZINC000453789641 1197132230 /nfs/dbraw/zinc/13/22/30/1197132230.db2.gz AIZHMITZILIVKM-CYBMUJFWSA-N 0 0 376.413 0.124 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc3c2OCCC3)CC12COC2 ZINC000453795747 1197133276 /nfs/dbraw/zinc/13/32/76/1197133276.db2.gz HDLUVWUPBOWWHJ-CQSZACIVSA-N 0 0 388.420 0.988 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(C)ccc2OC)CC12COC2 ZINC000453798248 1197133611 /nfs/dbraw/zinc/13/36/11/1197133611.db2.gz JJEOHSKDOREXMT-CYBMUJFWSA-N 0 0 376.409 0.980 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)C)nc2)CC12COC2 ZINC000453799625 1197134273 /nfs/dbraw/zinc/13/42/73/1197134273.db2.gz KCGAQRFUYLBSBI-CQSZACIVSA-N 0 0 391.424 0.845 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NC)cc2)CC12COC2 ZINC000453801389 1197137988 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392.456 0.136 10 0 GCAERN CC(C)(C)C(=O)Nc1nccnc1C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000673848568 1199959630 /nfs/dbraw/zinc/95/96/30/1199959630.db2.gz WTABQQKROQCXNE-CYBMUJFWSA-N 0 0 389.456 0.971 10 0 GCAERN COCCOc1ccc(CNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cn1 ZINC000673850507 1199960083 /nfs/dbraw/zinc/96/00/83/1199960083.db2.gz IIFXXBBNGHUDDQ-INIZCTEOSA-N 0 0 392.456 0.686 10 0 GCAERN NC(=O)COc1ccc(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000673858280 1199961657 /nfs/dbraw/zinc/96/16/57/1199961657.db2.gz UINUWHUGXQNFSA-HNNXBMFYSA-N 0 0 376.413 0.452 10 0 GCAERN Cc1ccc(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1-n1cnnn1 ZINC000673857914 1199961836 /nfs/dbraw/zinc/96/18/36/1199961836.db2.gz DNRVTDNNMKEOAU-HNNXBMFYSA-N 0 0 385.428 0.872 10 0 GCAERN CCN(CC)C(=O)N1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000673883402 1199967574 /nfs/dbraw/zinc/96/75/74/1199967574.db2.gz INHXXXYVWSXKAM-INIZCTEOSA-N 0 0 395.504 0.555 10 0 GCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000673884146 1199968155 /nfs/dbraw/zinc/96/81/55/1199968155.db2.gz URCCCUUHRPABGA-INIZCTEOSA-N 0 0 393.488 0.309 10 0 GCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673883848 1199968170 /nfs/dbraw/zinc/96/81/70/1199968170.db2.gz QFINAGOOZBCIKP-DLBZAZTESA-N 0 0 380.489 0.273 10 0 GCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673883851 1199968188 /nfs/dbraw/zinc/96/81/88/1199968188.db2.gz QFINAGOOZBCIKP-SJORKVTESA-N 0 0 380.489 0.273 10 0 GCAERN O=C(NCC1(CO)CC1)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000673889767 1199969687 /nfs/dbraw/zinc/96/96/87/1199969687.db2.gz ZNEUOXCXCZOSME-CQSZACIVSA-N 0 0 396.465 0.467 10 0 GCAERN Cn1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000673913578 1199975061 /nfs/dbraw/zinc/97/50/61/1199975061.db2.gz ZDPSLIKEAYAXEC-OAGGEKHMSA-N 0 0 381.498 0.751 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000625503520 1199983617 /nfs/dbraw/zinc/98/36/17/1199983617.db2.gz 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CC(=O)N1c2ccc(S(=O)(=O)N3CCO[C@@H](CC(N)=O)C3)cc2C[C@@H]1C ZINC000625612878 1200092371 /nfs/dbraw/zinc/09/23/71/1200092371.db2.gz HLCHTLICNREAJX-FZMZJTMJSA-N 0 0 381.454 0.249 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000625626953 1200095378 /nfs/dbraw/zinc/09/53/78/1200095378.db2.gz NHLYFLKLOLYQPX-UHFFFAOYSA-N 0 0 377.445 0.531 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000625634021 1200105143 /nfs/dbraw/zinc/10/51/43/1200105143.db2.gz KTHYLSFXYASXCB-ZIAGYGMSSA-N 0 0 382.505 0.559 10 0 GCAERN COc1cc(OC)cc(N2CC[C@@H](NC(=O)N(C)Cc3nnnn3C)C2=O)c1 ZINC000466607023 1200114318 /nfs/dbraw/zinc/11/43/18/1200114318.db2.gz KZIRUMQUEHMBTE-CQSZACIVSA-N 0 0 389.416 0.174 10 0 GCAERN COC(=O)c1c2c(sc1NC(=O)CN1CCN3CCOC[C@@H]3C1)CCC2 ZINC000543557906 1200124231 /nfs/dbraw/zinc/12/42/31/1200124231.db2.gz HRNVRMWPPZXVFM-LBPRGKRZSA-N 0 0 379.482 0.978 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(c2ncc(C)s2)CC1 ZINC000625696926 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377.493 0.651 10 0 GCAERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(C)CCN1CCCS1(=O)=O ZINC000674463939 1200242210 /nfs/dbraw/zinc/24/22/10/1200242210.db2.gz UXTLPBWBWBXMID-QGZVFWFLSA-N 0 0 381.498 0.270 10 0 GCAERN CC(=O)N(Cc1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](O)C2)cc1)C(C)C ZINC000674476695 1200251593 /nfs/dbraw/zinc/25/15/93/1200251593.db2.gz ICNAYCLVLMOHSE-CALCHBBNSA-N 0 0 377.441 0.336 10 0 GCAERN CCN1C(=O)[C@@H]2CN(CC(=O)NCCc3cccc4cccnc43)CCN2C1=O ZINC000674501787 1200256953 /nfs/dbraw/zinc/25/69/53/1200256953.db2.gz RAKLFSORIOUOLN-KRWDZBQOSA-N 0 0 395.463 0.862 10 0 GCAERN CC[C@@H]1CN(C(=O)NCCCN2CCCS2(=O)=O)[C@H](CC)CN1C(C)=O ZINC000674624231 1200288397 /nfs/dbraw/zinc/28/83/97/1200288397.db2.gz ALWHAFMHKWTMFI-HZPDHXFCSA-N 0 0 388.534 0.843 10 0 GCAERN CC(=O)N1C[C@@H](C(=O)OCC(=O)N2CCOC[C@H]2C2CC2)Oc2ccccc21 ZINC000766065695 1200310476 /nfs/dbraw/zinc/31/04/76/1200310476.db2.gz SIVSOXYOLHZXGZ-WMZOPIPTSA-N 0 0 388.420 0.981 10 0 GCAERN CC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCC(OCCCO)CC2)cc1 ZINC000675006671 1200344207 /nfs/dbraw/zinc/34/42/07/1200344207.db2.gz MPXIEIFQWJEIRU-UHFFFAOYSA-N 0 0 377.441 0.998 10 0 GCAERN CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)c2ccc(C(N)=O)cc2)[C@H](O)C1 ZINC000702787657 1200347996 /nfs/dbraw/zinc/34/79/96/1200347996.db2.gz XIBLLNHZJHSBEB-GXTWGEPZSA-N 0 0 399.469 0.292 10 0 GCAERN Cn1cnc2c1c(=O)n(CC(=O)N(C[C@H]1CCCO1)C1CCCC1)c(=O)n2C ZINC000174514528 1200398283 /nfs/dbraw/zinc/39/82/83/1200398283.db2.gz KJHJQDZJQIFKDN-CQSZACIVSA-N 0 0 389.456 0.384 10 0 GCAERN CCOc1cccc(CCNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000675486628 1200418233 /nfs/dbraw/zinc/41/82/33/1200418233.db2.gz IRTFCOXWZLOJNP-UHFFFAOYSA-N 0 0 381.458 0.159 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(C(=O)c3cccn3C)CC2)C1 ZINC000675499186 1200421914 /nfs/dbraw/zinc/42/19/14/1200421914.db2.gz OLUXNYWZXGZOEM-CQSZACIVSA-N 0 0 376.461 0.296 10 0 GCAERN CCNC(=O)N1CC[C@H](NC(=O)NCc2ccc(CS(=O)(=O)NC)cc2)C1 ZINC000675498708 1200422550 /nfs/dbraw/zinc/42/25/50/1200422550.db2.gz 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CC[S@@](=O)CCNC(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000735200422 1201683485 /nfs/dbraw/zinc/68/34/85/1201683485.db2.gz QRIHWOAPZXJEIA-HHHXNRCGSA-N 0 0 395.481 0.511 10 0 GCAERN Cn1ncc(I)c1CNCC(C)(C)NS(C)(=O)=O ZINC000826653201 1201686175 /nfs/dbraw/zinc/68/61/75/1201686175.db2.gz LOQZRIYTBCOGDQ-UHFFFAOYSA-N 0 0 386.259 0.442 10 0 GCAERN CCOC(=O)C(=O)N1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000735818903 1201702829 /nfs/dbraw/zinc/70/28/29/1201702829.db2.gz VSLFPLCYQVUEKS-UHFFFAOYSA-N 0 0 385.461 0.867 10 0 GCAERN Cc1nnc(CN2CCN([C@H](C)C(=O)Nc3sccc3C(N)=O)CC2)[nH]1 ZINC000735872768 1201703372 /nfs/dbraw/zinc/70/33/72/1201703372.db2.gz UYPUTZNGDOEDIJ-SNVBAGLBSA-N 0 0 377.474 0.418 10 0 GCAERN O=C([C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)N1CCOC[C@@]12CCOC2 ZINC000827611016 1201704383 /nfs/dbraw/zinc/70/43/83/1201704383.db2.gz FXEKRWLIFVGTFB-BPUTZDHNSA-N 0 0 375.343 0.815 10 0 GCAERN CNC(=O)c1cc(S(=O)(=O)NCc2nc3cc(F)ccc3n2C)cn1C ZINC000735923665 1201705488 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Cc1nc([C@@H]2CCCN2CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cs1 ZINC000275036172 530304800 /nfs/dbraw/zinc/30/48/00/530304800.db2.gz DPBTWHTYTBIGFB-AAEUAGOBSA-N 0 0 386.499 0.601 10 0 GCAERN C[C@H](C(=O)NCCCN1CCCS1(=O)=O)S(=O)(=O)c1ccc(F)cc1 ZINC000585733857 530304812 /nfs/dbraw/zinc/30/48/12/530304812.db2.gz JUZKFVSRONVZPN-GFCCVEGCSA-N 0 0 392.474 0.530 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000585738340 530304954 /nfs/dbraw/zinc/30/49/54/530304954.db2.gz VANBLYKBDHPVAX-ZDUSSCGKSA-N 0 0 385.511 0.895 10 0 GCAERN CN(C)C(=O)c1cccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000585808966 530305190 /nfs/dbraw/zinc/30/51/90/530305190.db2.gz BYTGZGJRGDYQSK-UHFFFAOYSA-N 0 0 389.499 0.092 10 0 GCAERN CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000030364004 530305797 /nfs/dbraw/zinc/30/57/97/530305797.db2.gz LNXXDILHIZZAQZ-UHFFFAOYSA-N 0 0 390.483 0.504 10 0 GCAERN CS(=O)(=O)c1ccc(NC(=O)NCCCN2CCCS2(=O)=O)cc1 ZINC000586769810 530308001 /nfs/dbraw/zinc/30/80/01/530308001.db2.gz 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530357775 /nfs/dbraw/zinc/35/77/75/530357775.db2.gz DVGHBSBGUKRRTB-UHFFFAOYSA-N 0 0 384.274 0.890 10 0 GCAERN CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C[C@H]1O ZINC000281540116 530360456 /nfs/dbraw/zinc/36/04/56/530360456.db2.gz RWYYMUVWKXKKQD-QWHCGFSZSA-N 0 0 376.500 0.903 10 0 GCAERN CCC1(CC)CN(C(=O)C2(S(C)(=O)=O)CCOCC2)CCS1(=O)=O ZINC000408052793 530362838 /nfs/dbraw/zinc/36/28/38/530362838.db2.gz DGICDXKRIRSDSH-UHFFFAOYSA-N 0 0 381.516 0.396 10 0 GCAERN O=C1NCC[C@H]1N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000178184452 530363411 /nfs/dbraw/zinc/36/34/11/530363411.db2.gz YVJPESZFMHZMRM-SECBINFHSA-N 0 0 394.316 0.705 10 0 GCAERN O=C(CN1CCN([C@H]2CCNC2=O)CC1)Nc1ccc(Br)cc1 ZINC000178211616 530363540 /nfs/dbraw/zinc/36/35/40/530363540.db2.gz QBHUTHRYZHFHSM-AWEZNQCLSA-N 0 0 381.274 0.894 10 0 GCAERN O=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000408057418 530363547 /nfs/dbraw/zinc/36/35/47/530363547.db2.gz ULOVXLLCYJIWMR-UHFFFAOYSA-N 0 0 379.891 0.736 10 0 GCAERN 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ZINC000656907861 530859551 /nfs/dbraw/zinc/85/95/51/530859551.db2.gz LBRUNMNLHYLJNH-WCQYABFASA-N 0 0 385.511 0.975 10 0 GCAERN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1ccncc1I ZINC000187323211 530863859 /nfs/dbraw/zinc/86/38/59/530863859.db2.gz WRNVLZDPNVEPLN-MNOVXSKESA-N 0 0 390.177 0.825 10 0 GCAERN O=C1C[C@@H](C(F)(F)F)N(S(=O)(=O)c2cnn(CC(F)F)c2)CCN1 ZINC000188141662 530864610 /nfs/dbraw/zinc/86/46/10/530864610.db2.gz GHIFSSYZPWEDDT-QMMMGPOBSA-N 0 0 376.307 0.590 10 0 GCAERN Cc1cc(N2CCN(C(=O)c3sccc3S(=O)(=O)N(C)C)CC2)n[nH]1 ZINC000189709219 530866772 /nfs/dbraw/zinc/86/67/72/530866772.db2.gz BSFNPDITWTYXGX-UHFFFAOYSA-N 0 0 383.499 0.992 10 0 GCAERN Cc1cc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccs3)CC2)n[nH]1 ZINC000189780631 530866940 /nfs/dbraw/zinc/86/69/40/530866940.db2.gz AQDGDJWUQWLSQS-LBPRGKRZSA-N 0 0 383.499 0.795 10 0 GCAERN Cc1cc(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3Cl)CC2)n[nH]1 ZINC000190169783 530867513 /nfs/dbraw/zinc/86/75/13/530867513.db2.gz DKLBPRHMQXBVOO-UHFFFAOYSA-N 0 0 383.861 0.981 10 0 GCAERN CC(=O)N1CCc2sc(S(=O)(=O)N3CCN(CCO)C[C@H]3C)cc2C1 ZINC000657008892 530867719 /nfs/dbraw/zinc/86/77/19/530867719.db2.gz HDIZZAQZDUYWIC-GFCCVEGCSA-N 0 0 387.527 0.340 10 0 GCAERN O=C(Nc1ccc(Br)cn1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000193368353 530869628 /nfs/dbraw/zinc/86/96/28/530869628.db2.gz PTCDKSFLYTXTKY-LBPRGKRZSA-N 0 0 383.246 0.716 10 0 GCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000192671943 530869752 /nfs/dbraw/zinc/86/97/52/530869752.db2.gz MPQQIVFZZUPUBG-ZIAGYGMSSA-N 0 0 397.273 0.474 10 0 GCAERN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC(n2ccnn2)C1 ZINC000378531309 530839017 /nfs/dbraw/zinc/83/90/17/530839017.db2.gz IGJJRCYBQWEJHY-UHFFFAOYSA-N 0 0 390.197 0.720 10 0 GCAERN CCCCN(C(=O)CSc1n[nH]c(=O)n1CCC)[C@H]1CCS(=O)(=O)C1 ZINC000007531964 530878511 /nfs/dbraw/zinc/87/85/11/530878511.db2.gz CSECFRRDFRKENP-LBPRGKRZSA-N 0 0 390.531 0.889 10 0 GCAERN CC(C)(CNC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O)NS(C)(=O)=O ZINC000670123746 530882612 /nfs/dbraw/zinc/88/26/12/530882612.db2.gz KFERQAVTLRODPA-CHWSQXEVSA-N 0 0 377.507 0.181 10 0 GCAERN CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000116904493 530895963 /nfs/dbraw/zinc/89/59/63/530895963.db2.gz CEDITLGJCRUEEX-JTQLQIEISA-N 0 0 383.289 0.761 10 0 GCAERN CN1CCO[C@H](CNC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000104798027 530931147 /nfs/dbraw/zinc/93/11/47/530931147.db2.gz NMCPJOVSZMBHOU-CQSZACIVSA-N 0 0 399.289 0.809 10 0 GCAERN COC(=O)c1c(F)cccc1S(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000611016765 530931873 /nfs/dbraw/zinc/93/18/73/530931873.db2.gz LLAPCMJJZFAJPE-UHFFFAOYSA-N 0 0 394.446 0.316 10 0 GCAERN O=C(CNC(=O)c1ccc(Br)o1)NC[C@H]1CN(C2CC2)CCO1 ZINC000115164439 530933706 /nfs/dbraw/zinc/93/37/06/530933706.db2.gz ATSSBDJAZJYYPI-NSHDSACASA-N 0 0 386.246 0.751 10 0 GCAERN O=S(=O)(c1ccccc1Br)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671431177 530934093 /nfs/dbraw/zinc/93/40/93/530934093.db2.gz HRWBYGVXSDANPT-ZDUSSCGKSA-N 0 0 387.259 0.866 10 0 GCAERN Cc1sc(=O)n(CCC(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1C ZINC000120021605 530934197 /nfs/dbraw/zinc/93/41/97/530934197.db2.gz YCMGPINKHKFPOT-AWEZNQCLSA-N 0 0 387.527 0.943 10 0 GCAERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000610554256 530915468 /nfs/dbraw/zinc/91/54/68/530915468.db2.gz OGLVOAJMAOKHAC-CSTKLKAISA-N 0 0 379.548 0.791 10 0 GCAERN CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)N1CCCCC1=O ZINC000509256139 530917210 /nfs/dbraw/zinc/91/72/10/530917210.db2.gz RQIQSUQTKAJCRA-GFCCVEGCSA-N 0 0 389.499 0.274 10 0 GCAERN CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)N1CCCCC1=O ZINC000509256141 530917271 /nfs/dbraw/zinc/91/72/71/530917271.db2.gz RQIQSUQTKAJCRA-LBPRGKRZSA-N 0 0 389.499 0.274 10 0 GCAERN Cc1noc2ncc(S(=O)(=O)N3CCC(CNS(C)(=O)=O)CC3)cc12 ZINC000510379105 530925976 /nfs/dbraw/zinc/92/59/76/530925976.db2.gz OTQMLGXQGSTOHD-UHFFFAOYSA-N 0 0 388.471 0.481 10 0 GCAERN Cc1ccsc1CN(C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000015311968 530927680 /nfs/dbraw/zinc/92/76/80/530927680.db2.gz XTRHPTPGNQVYDR-HNNXBMFYSA-N 0 0 385.555 0.820 10 0 GCAERN C[C@H]1CCCN1S(=O)(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000510585100 530928748 /nfs/dbraw/zinc/92/87/48/530928748.db2.gz RQJIAOQSCMYYKP-NSHDSACASA-N 0 0 389.490 0.707 10 0 GCAERN COCC(=O)NC1CN(C(=O)Cc2cccc(I)c2)C1 ZINC000185291046 530965821 /nfs/dbraw/zinc/96/58/21/530965821.db2.gz RWTPDIDYRBPFLL-UHFFFAOYSA-N 0 0 388.205 0.807 10 0 GCAERN C[C@@H]1CO[C@@H](CO)CN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000511314116 530935557 /nfs/dbraw/zinc/93/55/57/530935557.db2.gz JRMGPVLZOPNDMY-MGPQQGTHSA-N 0 0 388.511 0.900 10 0 GCAERN O=S(=O)(c1c(F)cccc1Cl)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000131017312 530942718 /nfs/dbraw/zinc/94/27/18/530942718.db2.gz MQJORYJOONOHTB-LLVKDONJSA-N 0 0 396.893 0.973 10 0 GCAERN Cc1nc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)ccc1Br ZINC000193609659 530949672 /nfs/dbraw/zinc/94/96/72/530949672.db2.gz ZAKRVIXVEGOTLE-LLVKDONJSA-N 0 0 382.262 0.207 10 0 GCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000238810488 530950248 /nfs/dbraw/zinc/95/02/48/530950248.db2.gz AEJXDLBEYWMIBZ-UHFFFAOYSA-N 0 0 376.504 0.226 10 0 GCAERN CS(=O)(=O)c1cc(C(=O)N2CCNC(=O)CC2)ccc1Br ZINC000194762678 530950611 /nfs/dbraw/zinc/95/06/11/530950611.db2.gz SOJURZZSYYNNME-UHFFFAOYSA-N 0 0 375.244 0.815 10 0 GCAERN CC(C)c1nnc2n1C[C@H](NC(=O)CNS(=O)(=O)c1cccs1)CC2 ZINC000195289396 530950717 /nfs/dbraw/zinc/95/07/17/530950717.db2.gz ZSKOACCSVLYVMN-LLVKDONJSA-N 0 0 383.499 0.873 10 0 GCAERN CS(=O)(=O)N1CCC(CNC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000514019699 530952486 /nfs/dbraw/zinc/95/24/86/530952486.db2.gz HHXNJYGOTIMCJY-ZDUSSCGKSA-N 0 0 387.424 0.757 10 0 GCAERN O=C(Nc1nncs1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000193248260 530973816 /nfs/dbraw/zinc/97/38/16/530973816.db2.gz QVOHUEZAUQTKFT-UHFFFAOYSA-N 0 0 377.455 0.957 10 0 GCAERN Cc1ccc(I)c(C(=O)NCCNS(C)(=O)=O)c1 ZINC000195464593 530974382 /nfs/dbraw/zinc/97/43/82/530974382.db2.gz HJAKTPPKORJLHT-UHFFFAOYSA-N 0 0 382.223 0.879 10 0 GCAERN NC(=O)Cn1cc(NC(=O)C(=O)NCc2cc(F)cc(Br)c2)cn1 ZINC000194087577 530974844 /nfs/dbraw/zinc/97/48/44/530974844.db2.gz VANRCBLXXVCMTM-UHFFFAOYSA-N 0 0 398.192 0.525 10 0 GCAERN CNS(=O)(=O)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000251890504 530983295 /nfs/dbraw/zinc/98/32/95/530983295.db2.gz QHWJCLAEUGEOCB-KBPBESRZSA-N 0 0 376.429 0.558 10 0 GCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000366838315 530984778 /nfs/dbraw/zinc/98/47/78/530984778.db2.gz KINFFSCDUXGTCZ-LXTVHRRPSA-N 0 0 376.475 0.527 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](O)C(F)(F)C2)cc1 ZINC000617818801 530966290 /nfs/dbraw/zinc/96/62/90/530966290.db2.gz SGKKGXOAAGANDR-CYBMUJFWSA-N 0 0 376.381 0.396 10 0 GCAERN CC(=O)NC1CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C1 ZINC000191478607 530971520 /nfs/dbraw/zinc/97/15/20/530971520.db2.gz NFDAUKKDDRZFSR-UHFFFAOYSA-N 0 0 393.234 0.952 10 0 GCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC(=O)N1C ZINC000367119027 530995332 /nfs/dbraw/zinc/99/53/32/530995332.db2.gz LJQWFENLOXVACT-OLZOCXBDSA-N 0 0 385.511 0.980 10 0 GCAERN C[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)N1CCCCC1=O ZINC000526016360 530996551 /nfs/dbraw/zinc/99/65/51/530996551.db2.gz PAAVKMRSQVLQDY-LBPRGKRZSA-N 0 0 387.527 0.971 10 0 GCAERN COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(OC)c1 ZINC000242415840 530998113 /nfs/dbraw/zinc/99/81/13/530998113.db2.gz BHIOQIPTNAIFLS-CQSZACIVSA-N 0 0 377.484 0.661 10 0 GCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000285422579 530986690 /nfs/dbraw/zinc/98/66/90/530986690.db2.gz HZYQWVSQOUUHOX-ZDUSSCGKSA-N 0 0 392.168 0.883 10 0 GCAERN CN(CC(=O)N1CCN(C2CC2)C(=O)C1)C(=O)c1ccc(Br)o1 ZINC000673959979 530987845 /nfs/dbraw/zinc/98/78/45/530987845.db2.gz XQZGDNBZZGOREL-UHFFFAOYSA-N 0 0 384.230 0.947 10 0 GCAERN C[C@@H](NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)c1cccc(Br)c1 ZINC000193587326 530989167 /nfs/dbraw/zinc/98/91/67/530989167.db2.gz IWSKJLMLLKVPIP-SECBINFHSA-N 0 0 394.229 0.947 10 0 GCAERN COc1ccccc1[C@H]1CNCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000261710737 530989387 /nfs/dbraw/zinc/98/93/87/530989387.db2.gz PMYAHKPNZOSOGX-OAHLLOKOSA-N 0 0 388.511 0.549 10 0 GCAERN CS(=O)(=O)c1cccc(S(=O)(=O)N2CCNC[C@H]2c2cccnc2)c1 ZINC000261660954 530989807 /nfs/dbraw/zinc/98/98/07/530989807.db2.gz IHKUAJGJAZCGHF-INIZCTEOSA-N 0 0 381.479 0.820 10 0 GCAERN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000261899524 530990763 /nfs/dbraw/zinc/99/07/63/530990763.db2.gz GJWNUCUFRADSDI-JSGCOSHPSA-N 0 0 380.495 0.983 10 0 GCAERN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1cn(C)nn1 ZINC000611956478 531006112 /nfs/dbraw/zinc/00/61/12/531006112.db2.gz LMGOSLYFSTVCDL-AWEZNQCLSA-N 0 0 383.499 0.532 10 0 GCAERN CCCS(=O)(=O)N1CCC(NC(=O)N2CCS(=O)(=O)C[C@@H]2C)CC1 ZINC000527213196 531021806 /nfs/dbraw/zinc/02/18/06/531021806.db2.gz AOYYYNJCXXGYEQ-LBPRGKRZSA-N 0 0 381.520 0.019 10 0 GCAERN CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H](NC(N)=O)C3)c(Cl)cc21 ZINC000528354638 531029110 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570689370 /nfs/dbraw/zinc/68/93/70/570689370.db2.gz GMWRTPACDXAIJS-KBPBESRZSA-N 0 0 379.438 0.588 10 0 GCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@](O)(c3nc(C4CC4)no3)C2)cc1 ZINC000275298375 570690236 /nfs/dbraw/zinc/69/02/36/570690236.db2.gz MNZAJINEYNKDPC-QGZVFWFLSA-N 0 0 392.437 0.589 10 0 GCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1 ZINC000275367074 570691508 /nfs/dbraw/zinc/69/15/08/570691508.db2.gz WPPPPBGEXNIGDI-JKSUJKDBSA-N 0 0 378.454 0.978 10 0 GCAERN O=S(=O)(c1cccc2nonc21)N1CC[C@](O)(c2nc(C3CC3)no2)C1 ZINC000275367224 570691556 /nfs/dbraw/zinc/69/15/56/570691556.db2.gz WSARRDPHYNMBDD-OAHLLOKOSA-N 0 0 377.382 0.765 10 0 GCAERN COCCN1CCC[C@](O)(CN2CCN(c3cc(C)cc(C)c3)C(=O)C2)C1=O ZINC000067878797 570795932 /nfs/dbraw/zinc/79/59/32/570795932.db2.gz BBDICBKKXCYWPV-NRFANRHFSA-N 0 0 389.496 0.952 10 0 GCAERN C[C@H](NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cccnc1)CC2)c1nc[nH]n1 ZINC000583623149 570801402 /nfs/dbraw/zinc/80/14/02/570801402.db2.gz UGGXCXGDHDLDOO-STQMWFEESA-N 0 0 394.439 0.880 10 0 GCAERN COc1ccccc1[C@@H]1CNC(=O)c2[nH]c(Cc3c[nH]c(=O)[nH]c3=O)nc2C1 ZINC000065508745 570828363 /nfs/dbraw/zinc/82/83/63/570828363.db2.gz NTTIVOKVSUSTPJ-JTQLQIEISA-N 0 0 381.392 0.455 10 0 GCAERN NC(=O)[C@H]1CN(S(=O)(=O)/C=C\c2cccc(Br)c2)CCO1 ZINC000255119660 638459424 /nfs/dbraw/zinc/45/94/24/638459424.db2.gz CEJHQKNTNDQNIB-DJFZKKHWSA-N 0 0 375.244 0.936 10 0 GCAERN Cn1cc(/C=C\C(=O)Nc2cncc(Br)c2O)c(=O)n(C)c1=O ZINC000255520092 638543094 /nfs/dbraw/zinc/54/30/94/638543094.db2.gz SJLZPFJYVCGCEW-ARJAWSKDSA-N 0 0 381.186 0.599 10 0 GCAERN Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1Cl ZINC000408025821 638595713 /nfs/dbraw/zinc/59/57/13/638595713.db2.gz DTUXBQWKKITXSD-UHFFFAOYSA-N 0 0 387.889 0.983 10 0 GCAERN O=S1(=O)CCNC[C@H]1CCNc1ncc(I)cn1 ZINC000721714551 638621805 /nfs/dbraw/zinc/62/18/05/638621805.db2.gz FWFFGALCOCMFAF-SECBINFHSA-N 0 0 382.227 0.270 10 0 GCAERN COC(=O)C1(O)CN(C(=O)c2cccc(F)c2I)C1 ZINC000721719044 638621928 /nfs/dbraw/zinc/62/19/28/638621928.db2.gz 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1186201623 /nfs/dbraw/zinc/20/16/23/1186201623.db2.gz AZNRDTGOQWVYGG-LBPRGKRZSA-N 0 0 390.469 0.946 10 0 GCAERN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1CO ZINC000535707042 1186202558 /nfs/dbraw/zinc/20/25/58/1186202558.db2.gz AWBQQICSLUPSNV-CQSZACIVSA-N 0 0 377.441 0.307 10 0 GCAERN CC[C@H](C(=O)NC[C@H](O)Cn1ccnn1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000458126946 1186204073 /nfs/dbraw/zinc/20/40/73/1186204073.db2.gz CCABPCBMNLJUNA-UONOGXRCSA-N 0 0 390.835 0.713 10 0 GCAERN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H](O)Cn2ccnn2)ccc1C ZINC000458127081 1186204445 /nfs/dbraw/zinc/20/44/45/1186204445.db2.gz MIWIOVMBJVRCCB-HNNXBMFYSA-N 0 0 395.485 0.408 10 0 GCAERN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H](O)Cn2ccnn2)C(C)C)cc1 ZINC000458126233 1186204479 /nfs/dbraw/zinc/20/44/79/1186204479.db2.gz LPOFRYKWOIRTKH-HOCLYGCPSA-N 0 0 395.485 0.067 10 0 GCAERN CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@@H](O)Cn2ccnn2)C(C)C)cc1 ZINC000458129402 1186204926 /nfs/dbraw/zinc/20/49/26/1186204926.db2.gz OKUSCRZPAUBUER-WBVHZDCISA-N 0 0 389.456 0.609 10 0 GCAERN C[C@@H](C(=O)NC[C@H](O)Cn1ccnn1)N1CCN(c2ccc(F)cc2)CC1 ZINC000458129987 1186205047 /nfs/dbraw/zinc/20/50/47/1186205047.db2.gz FKBVVVGAKYJWHA-YOEHRIQHSA-N 0 0 376.436 0.105 10 0 GCAERN CCOc1ccccc1C(=O)N[C@H](C(=O)NC[C@H](O)Cn1ccnn1)C(C)C ZINC000458118471 1186205186 /nfs/dbraw/zinc/20/51/86/1186205186.db2.gz BQPYEDQMUDGZPZ-YOEHRIQHSA-N 0 0 389.456 0.609 10 0 GCAERN O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NC[C@H](O)Cn1ccnn1 ZINC000458132582 1186206524 /nfs/dbraw/zinc/20/65/24/1186206524.db2.gz SNHSLECGKFCXOJ-DZPQGLOJSA-N 0 0 375.473 0.478 10 0 GCAERN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458153423 1186208840 /nfs/dbraw/zinc/20/88/40/1186208840.db2.gz YOSPBPUQCMUJNE-BMGDILEWSA-N 0 0 385.468 0.755 10 0 GCAERN CC1CCC(NC(=O)CN2CCN(C(=O)NCc3ccn(C)n3)CC2)CC1 ZINC000535744599 1186208953 /nfs/dbraw/zinc/20/89/53/1186208953.db2.gz FOHZPWXDGFEMEQ-UHFFFAOYSA-N 0 0 376.505 0.942 10 0 GCAERN C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCc3ccn(C)n3)CC2)C1 ZINC000535744533 1186209144 /nfs/dbraw/zinc/20/91/44/1186209144.db2.gz HGTACPSACDRRIO-HOTGVXAUSA-N 0 0 376.505 0.942 10 0 GCAERN CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458153436 1186209171 /nfs/dbraw/zinc/20/91/71/1186209171.db2.gz YPNJGSAXDSGOJW-JKSUJKDBSA-N 0 0 392.435 0.418 10 0 GCAERN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458153425 1186209203 /nfs/dbraw/zinc/20/92/03/1186209203.db2.gz YOSPBPUQCMUJNE-QGTPRVQTSA-N 0 0 385.468 0.755 10 0 GCAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCc3ccn(C)n3)CC2)C1 ZINC000535744527 1186209268 /nfs/dbraw/zinc/20/92/68/1186209268.db2.gz HGTACPSACDRRIO-CVEARBPZSA-N 0 0 376.505 0.942 10 0 GCAERN COC(=O)C(C)(C)[C@H](NC(=O)Cn1ncn2nccc2c1=O)c1ccccc1 ZINC000610823485 1186244271 /nfs/dbraw/zinc/24/42/71/1186244271.db2.gz IIBSUPWDWAJMFC-MRXNPFEDSA-N 0 0 383.408 0.948 10 0 GCAERN Cc1nc(-c2ccccc2)sc1CNC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000458275624 1186252220 /nfs/dbraw/zinc/25/22/20/1186252220.db2.gz LXYLTBKFWWRTOI-UHFFFAOYSA-N 0 0 387.465 0.958 10 0 GCAERN CN1C[C@H](C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CC1=O ZINC000535862046 1186259398 /nfs/dbraw/zinc/25/93/98/1186259398.db2.gz VVFNAIXSRWNDQP-MRXNPFEDSA-N 0 0 379.482 0.707 10 0 GCAERN CNC(=O)CCNC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000535865860 1186265325 /nfs/dbraw/zinc/26/53/25/1186265325.db2.gz IFACLJADSGSUFP-UHFFFAOYSA-N 0 0 382.486 0.548 10 0 GCAERN CN(C)C(=O)CCNC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000535868266 1186266951 /nfs/dbraw/zinc/26/69/51/1186266951.db2.gz XQJWSIAFKRMKIJ-UHFFFAOYSA-N 0 0 396.513 0.890 10 0 GCAERN Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)c(=O)n(C)c1=O ZINC000150743770 1186270033 /nfs/dbraw/zinc/27/00/33/1186270033.db2.gz NUXQQTITKSQTLM-VIFPVBQESA-N 0 0 378.335 0.354 10 0 GCAERN NS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000150751412 1186270216 /nfs/dbraw/zinc/27/02/16/1186270216.db2.gz AVZKPQMMIXPJFK-GFCCVEGCSA-N 0 0 388.440 0.575 10 0 GCAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000151497956 1186288023 /nfs/dbraw/zinc/28/80/23/1186288023.db2.gz GBJKYLGNNKLIMG-CQSZACIVSA-N 0 0 397.483 0.940 10 0 GCAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000151498032 1186288082 /nfs/dbraw/zinc/28/80/82/1186288082.db2.gz GBJKYLGNNKLIMG-AWEZNQCLSA-N 0 0 397.483 0.940 10 0 GCAERN Cc1nn(-c2ccccc2)cc1CNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000181613615 1186290009 /nfs/dbraw/zinc/29/00/09/1186290009.db2.gz POAHWERQEBCPCL-UHFFFAOYSA-N 0 0 377.408 0.941 10 0 GCAERN CC1(C)CN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C[C@]2(CCOC2)O1 ZINC000684650390 1186298908 /nfs/dbraw/zinc/29/89/08/1186298908.db2.gz LDWQAQFIEFEXJQ-BEFAXECRSA-N 0 0 392.456 0.797 10 0 GCAERN CC(=O)N[C@H](C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)C1CCCC1 ZINC000544015144 1186317237 /nfs/dbraw/zinc/31/72/37/1186317237.db2.gz NEYUCXJUYLCXTN-WBVHZDCISA-N 0 0 375.473 0.722 10 0 GCAERN CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)C1CCCC1 ZINC000544015138 1186317402 /nfs/dbraw/zinc/31/74/02/1186317402.db2.gz NEYUCXJUYLCXTN-DOTOQJQBSA-N 0 0 375.473 0.722 10 0 GCAERN COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[C@@H](OC)C2)cc1 ZINC000472101272 1186350861 /nfs/dbraw/zinc/35/08/61/1186350861.db2.gz CFLPMMXCNLDHOW-LSDHHAIUSA-N 0 0 385.486 0.978 10 0 GCAERN Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000151846281 1186352807 /nfs/dbraw/zinc/35/28/07/1186352807.db2.gz NAQKYEYZYMMZAN-NSHDSACASA-N 0 0 399.423 0.372 10 0 GCAERN Cn1cnc2c1c(=O)n(CCCN1CCO[C@@H](c3cccs3)C1)c(=O)n2C ZINC000157423500 1186361318 /nfs/dbraw/zinc/36/13/18/1186361318.db2.gz RRJNQFHJVTWNQZ-CYBMUJFWSA-N 0 0 389.481 0.959 10 0 GCAERN CO[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000472137466 1186372714 /nfs/dbraw/zinc/37/27/14/1186372714.db2.gz ZXLGDIGYXYKSGZ-HIFRSBDPSA-N 0 0 382.486 0.733 10 0 GCAERN COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@H]1CCCOC1 ZINC000582030306 1186376156 /nfs/dbraw/zinc/37/61/56/1186376156.db2.gz MBETWAVWMKFKSY-CYBMUJFWSA-N 0 0 375.425 0.703 10 0 GCAERN COC(=O)c1cc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc(C(=O)OC)c1 ZINC000472140867 1186379545 /nfs/dbraw/zinc/37/95/45/1186379545.db2.gz UYFHZWCVRSJFMY-CQSZACIVSA-N 0 0 393.396 0.365 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)[C@@H](C)NC(=O)c3[nH]nc4ccccc43)CC2)[nH]1 ZINC000472150778 1186397114 /nfs/dbraw/zinc/39/71/14/1186397114.db2.gz FGPSTHWISHDUND-GFCCVEGCSA-N 0 0 396.455 0.452 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)[C@H](C)NC(=O)c3[nH]nc4ccccc43)CC2)[nH]1 ZINC000472150784 1186397692 /nfs/dbraw/zinc/39/76/92/1186397692.db2.gz FGPSTHWISHDUND-LBPRGKRZSA-N 0 0 396.455 0.452 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000472162690 1186411625 /nfs/dbraw/zinc/41/16/25/1186411625.db2.gz WBXLYTSAQNKLFM-CQSZACIVSA-N 0 0 380.470 0.760 10 0 GCAERN CCCCn1c2nc(CO)n(CCC)c2c(=O)n(C[C@H](O)C(F)(F)F)c1=O ZINC000158091128 1186433332 /nfs/dbraw/zinc/43/33/32/1186433332.db2.gz MSGPGSKMKCIUTR-JTQLQIEISA-N 0 0 392.378 0.985 10 0 GCAERN COc1c(F)cc(CC(=O)N2CCC[C@@H](CC(N)=O)C2)cc1S(N)(=O)=O ZINC000472185289 1186443066 /nfs/dbraw/zinc/44/30/66/1186443066.db2.gz CNALWLYZKNJRTF-JTQLQIEISA-N 0 0 387.433 0.138 10 0 GCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000548716723 1186482373 /nfs/dbraw/zinc/48/23/73/1186482373.db2.gz TWNROMIGYKRGJU-QGZVFWFLSA-N 0 0 378.454 0.527 10 0 GCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cnn(CC(F)(F)F)c2)CC1 ZINC000158434004 1186502644 /nfs/dbraw/zinc/50/26/44/1186502644.db2.gz LETKTZCTQWQRKM-GFCCVEGCSA-N 0 0 377.367 0.299 10 0 GCAERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000511127106 1186534533 /nfs/dbraw/zinc/53/45/33/1186534533.db2.gz SCMKTAPWAGSANO-QZTJIDSGSA-N 0 0 395.525 0.659 10 0 GCAERN NS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)cn1 ZINC000684878051 1186536442 /nfs/dbraw/zinc/53/64/42/1186536442.db2.gz IXJLINGJXXYXRY-ZDUSSCGKSA-N 0 0 392.462 0.883 10 0 GCAERN CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000560197417 1186560820 /nfs/dbraw/zinc/56/08/20/1186560820.db2.gz OMVFLVHCNYKUQT-LLVKDONJSA-N 0 0 381.404 0.294 10 0 GCAERN CC(=O)N1CCN(Cc2ccccc2NC(=O)N[C@@H]2CCC(=O)NC2=O)CC1 ZINC000548742672 1186566823 /nfs/dbraw/zinc/56/68/23/1186566823.db2.gz JCAATPQZYQFJJH-MRXNPFEDSA-N 0 0 387.440 0.277 10 0 GCAERN C[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H]1COc2ccccc21 ZINC000152758739 1186578098 /nfs/dbraw/zinc/57/80/98/1186578098.db2.gz PJNILKJZONZWES-IAQYHMDHSA-N 0 0 380.404 0.927 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@@H](O)COc1cccc(C)c1 ZINC000626052697 1186585076 /nfs/dbraw/zinc/58/50/76/1186585076.db2.gz GPVZGEWRZRJVGU-OAHLLOKOSA-N 0 0 393.484 0.660 10 0 GCAERN C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000066951306 1186615285 /nfs/dbraw/zinc/61/52/85/1186615285.db2.gz SYKFSLPVDORWLB-YOEHRIQHSA-N 0 0 399.557 0.839 10 0 GCAERN CN(C)S(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 ZINC000685015222 1186638417 /nfs/dbraw/zinc/63/84/17/1186638417.db2.gz MHYPUPZJXIKJCX-UHFFFAOYSA-N 0 0 381.458 0.379 10 0 GCAERN CN1C(=O)COc2cc(NC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)ccc21 ZINC000685023162 1186665223 /nfs/dbraw/zinc/66/52/23/1186665223.db2.gz VSELFOUPWXVMFD-AWEZNQCLSA-N 0 0 388.424 0.943 10 0 GCAERN Cc1nc2ncnn2c(C)c1CCC(=O)OCCn1nc2ccccn2c1=O ZINC000119891690 1186696527 /nfs/dbraw/zinc/69/65/27/1186696527.db2.gz OZGBAVUAADTKJW-UHFFFAOYSA-N 0 0 381.396 0.727 10 0 GCAERN CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375732930 1186701832 /nfs/dbraw/zinc/70/18/32/1186701832.db2.gz KTHUUPJYXMKGDT-LBPRGKRZSA-N 0 0 386.478 0.278 10 0 GCAERN COc1ccc(CCNC(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)cc1F ZINC000582862037 1186715560 /nfs/dbraw/zinc/71/55/60/1186715560.db2.gz DZFNBBMJNHSBGK-IBGZPJMESA-N 0 0 377.416 0.622 10 0 GCAERN CC(=O)N(C)c1ccc(C(=O)OCCNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000785156311 1186718229 /nfs/dbraw/zinc/71/82/29/1186718229.db2.gz RNUQNBFKCSVMJE-UHFFFAOYSA-N 0 0 380.426 0.538 10 0 GCAERN COc1c(F)cc(CC(=O)NCc2cnc(N(C)C)n2C)cc1S(N)(=O)=O ZINC000511211626 1186719556 /nfs/dbraw/zinc/71/95/56/1186719556.db2.gz PUCWVPYESKVSSD-UHFFFAOYSA-N 0 0 399.448 0.140 10 0 GCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000582937375 1186732866 /nfs/dbraw/zinc/73/28/66/1186732866.db2.gz VYQSBWMOROIEKA-USXIJHARSA-N 0 0 395.481 0.125 10 0 GCAERN Cc1cc(C(=O)N2CCc3cc[nH]c(=O)c3C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000277996139 1186739080 /nfs/dbraw/zinc/73/90/80/1186739080.db2.gz ZSAJFBLEZJJIET-UHFFFAOYSA-N 0 0 381.392 0.240 10 0 GCAERN COc1cccc(C(=O)N2CCN(C(=O)COc3cnn(C)c3)CC2)c1OC ZINC000548783248 1186749265 /nfs/dbraw/zinc/74/92/65/1186749265.db2.gz HDPLPFIBIWMCMD-UHFFFAOYSA-N 0 0 388.424 0.801 10 0 GCAERN Cn1cnc2c1c(=O)n(CCCS(=O)(=O)Cc1cccc(F)c1)c(=O)n2C ZINC000122315385 1186754070 /nfs/dbraw/zinc/75/40/70/1186754070.db2.gz HVKVQMJHVGFCIH-UHFFFAOYSA-N 0 0 394.428 0.578 10 0 GCAERN CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000154102411 1186782198 /nfs/dbraw/zinc/78/21/98/1186782198.db2.gz UFQKSINLDPCZLX-HNNXBMFYSA-N 0 0 383.518 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O=C(Nc1ccc(F)cc1C(F)(F)F)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442278890 1195971043 /nfs/dbraw/zinc/97/10/43/1195971043.db2.gz UODZONIINUTKBP-GFCCVEGCSA-N 0 0 391.321 0.883 10 0 GCAERN O=C(Nc1ccc(F)cc1OCC1CC1)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442282206 1195971511 /nfs/dbraw/zinc/97/15/11/1195971511.db2.gz HSWLGEIRVOLUGL-HNNXBMFYSA-N 0 0 393.415 0.653 10 0 GCAERN COc1cccc(CCNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)n1 ZINC000442321709 1195975967 /nfs/dbraw/zinc/97/59/67/1195975967.db2.gz HNUXVHBBWTVNIP-UHFFFAOYSA-N 0 0 399.386 0.811 10 0 GCAERN Cc1nc(CN(C)C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)no1 ZINC000442401449 1195982587 /nfs/dbraw/zinc/98/25/87/1195982587.db2.gz AWNKCECNYAFYDG-UHFFFAOYSA-N 0 0 395.441 0.534 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2C2CCOCC2)c1 ZINC000442402526 1195982828 /nfs/dbraw/zinc/98/28/28/1195982828.db2.gz DELNWOQUMMSIIX-MRXNPFEDSA-N 0 0 395.481 0.951 10 0 GCAERN O=C([C@@H]1CCCN1c1ncnc2ccccc21)N1CCC2(CC1)NC(=O)NC2=O ZINC000442417150 1195983456 /nfs/dbraw/zinc/98/34/56/1195983456.db2.gz WVYZPDPYQZIIFJ-HNNXBMFYSA-N 0 0 394.435 0.799 10 0 GCAERN Cc1nc(CN(C)C(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)no1 ZINC000442413421 1195984521 /nfs/dbraw/zinc/98/45/21/1195984521.db2.gz SGYZCRBUTDBCNI-UHFFFAOYSA-N 0 0 377.376 0.951 10 0 GCAERN COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cccc(N(C)C)c3C)C2)nn1 ZINC000442479293 1195989652 /nfs/dbraw/zinc/98/96/52/1195989652.db2.gz XWWRZQBHNKTILZ-UHFFFAOYSA-N 0 0 386.412 0.461 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000442551760 1195993674 /nfs/dbraw/zinc/99/36/74/1195993674.db2.gz YVOGMUOGICHBAA-KFWWJZLASA-N 0 0 395.481 0.853 10 0 GCAERN NS(=O)(=O)C1CCN(C(=O)[C@@H]2CCCN2c2ncnc3ccccc32)CC1 ZINC000442961731 1196013619 /nfs/dbraw/zinc/01/36/19/1196013619.db2.gz CPBFALXLQQXNCD-INIZCTEOSA-N 0 0 389.481 0.878 10 0 GCAERN CN(C)C(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000443021677 1196015600 /nfs/dbraw/zinc/01/56/00/1196015600.db2.gz HHAIUQBPHUEKKH-MRXNPFEDSA-N 0 0 395.481 0.447 10 0 GCAERN COCCN(C)C(=O)C(=O)Nc1ccc(OCCN2CCNC2=O)cc1C ZINC000443139888 1196022412 /nfs/dbraw/zinc/02/24/12/1196022412.db2.gz HBOCQYDYDXJKGE-UHFFFAOYSA-N 0 0 378.429 0.442 10 0 GCAERN Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000521929997 1196026430 /nfs/dbraw/zinc/02/64/30/1196026430.db2.gz HQKSZEUMSXXSJE-IFXJQAMLSA-N 0 0 392.456 0.661 10 0 GCAERN CN(CCCO)C(=O)C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 ZINC000443328723 1196039664 /nfs/dbraw/zinc/03/96/64/1196039664.db2.gz KEONHCAGYDFWLC-UHFFFAOYSA-N 0 0 386.408 0.878 10 0 GCAERN COc1ccc(NC(=O)N(C)CCCO)cc1S(=O)(=O)N1CCOCC1 ZINC000522058698 1196040883 /nfs/dbraw/zinc/04/08/83/1196040883.db2.gz CIECIADESJGUCR-UHFFFAOYSA-N 0 0 387.458 0.562 10 0 GCAERN CCc1nc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)no1 ZINC000443378395 1196043477 /nfs/dbraw/zinc/04/34/77/1196043477.db2.gz VCYIMAHFHRIGAO-CYBMUJFWSA-N 0 0 379.461 0.164 10 0 GCAERN Cc1nn(C)c(C)c1S(=O)(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000522162290 1196048541 /nfs/dbraw/zinc/04/85/41/1196048541.db2.gz HQCLXLPCLDHCSA-UHFFFAOYSA-N 0 0 383.518 0.260 10 0 GCAERN O=C(CN1CCN(CC(=O)NC2CC2)CC1)NCCN1CCc2ccccc21 ZINC000051255189 1196057284 /nfs/dbraw/zinc/05/72/84/1196057284.db2.gz DDITZSIRJHDISS-UHFFFAOYSA-N 0 0 385.512 0.062 10 0 GCAERN C[C@]1(C2CCN(C(=O)NCc3ccccc3OCCO)CC2)NC(=O)NC1=O ZINC000443494930 1196061406 /nfs/dbraw/zinc/06/14/06/1196061406.db2.gz DVSLOVOWAVCHLG-LJQANCHMSA-N 0 0 390.440 0.577 10 0 GCAERN CC1CCC(NS(=O)(=O)CC(=O)NCCc2nnc3n2CCCC3)CC1 ZINC000166323814 1196061494 /nfs/dbraw/zinc/06/14/94/1196061494.db2.gz VLPBEHUQXQNHDC-UHFFFAOYSA-N 0 0 383.518 0.771 10 0 GCAERN O=C(CCNC(=O)c1[nH]nc2ccccc21)NCCc1nnc2n1CCCC2 ZINC000166372048 1196064601 /nfs/dbraw/zinc/06/46/01/1196064601.db2.gz ILESOGHHHGRDGM-UHFFFAOYSA-N 0 0 381.440 0.970 10 0 GCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000329560362 1196078048 /nfs/dbraw/zinc/07/80/48/1196078048.db2.gz FYMRYLYIALUIED-KGLIPLIRSA-N 0 0 399.538 0.540 10 0 GCAERN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000051382422 1196081265 /nfs/dbraw/zinc/08/12/65/1196081265.db2.gz ZDJUPURVRDERCF-VQIMIIECSA-N 0 0 394.491 0.463 10 0 GCAERN CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000550576557 1196091848 /nfs/dbraw/zinc/09/18/48/1196091848.db2.gz HWRUXESCGRPIEL-SOUVJXGZSA-N 0 0 382.505 0.070 10 0 GCAERN C[C@H]1CCCN(S(=O)(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)C1 ZINC000027968213 1196091992 /nfs/dbraw/zinc/09/19/92/1196091992.db2.gz FMUAWASMWARBJU-KRWDZBQOSA-N 0 0 394.541 0.897 10 0 GCAERN Cc1noc(CN2CCN(S(=O)(=O)c3cnn([C@H]4CCOC4)c3)CC2)n1 ZINC000443699439 1196092355 /nfs/dbraw/zinc/09/23/55/1196092355.db2.gz RCDHUODVOKYZJA-ZDUSSCGKSA-N 0 0 382.446 0.042 10 0 GCAERN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000114407140 1196098544 /nfs/dbraw/zinc/09/85/44/1196098544.db2.gz RIGURZVWDRYWRV-YJYMSZOUSA-N 0 0 393.447 0.859 10 0 GCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000114490744 1196100949 /nfs/dbraw/zinc/10/09/49/1196100949.db2.gz YDELURGIALQYSS-NSHDSACASA-N 0 0 382.402 0.630 10 0 GCAERN COc1cc(C(=O)NCC(=O)N2CCSC[C@@H]2CCO)cc(OC)c1OC ZINC000474253840 1196103155 /nfs/dbraw/zinc/10/31/55/1196103155.db2.gz UGXDGQZKYNCBES-ZDUSSCGKSA-N 0 0 398.481 0.769 10 0 GCAERN CC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000729544437 1196104820 /nfs/dbraw/zinc/10/48/20/1196104820.db2.gz PEYDQDSFCTUTKY-HZMBPMFUSA-N 0 0 383.426 0.215 10 0 GCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C2CCC(OC)CC2)c1 ZINC000522436288 1196114153 /nfs/dbraw/zinc/11/41/53/1196114153.db2.gz ZYGVZVWYBACXQP-UHFFFAOYSA-N 0 0 383.470 0.949 10 0 GCAERN O=C(Nc1cnn(CC(F)(F)F)c1)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000474587963 1196128705 /nfs/dbraw/zinc/12/87/05/1196128705.db2.gz WVBBZDJGEPKWGQ-UHFFFAOYSA-N 0 0 397.361 0.913 10 0 GCAERN CCOC(=O)C1(CNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CC1 ZINC000474696698 1196142801 /nfs/dbraw/zinc/14/28/01/1196142801.db2.gz KMADVSCJCYVDMI-UHFFFAOYSA-N 0 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1196182007 /nfs/dbraw/zinc/18/20/07/1196182007.db2.gz IYUKZJIIWTVIKA-INIZCTEOSA-N 0 0 395.481 0.400 10 0 GCAERN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329350920 1196187574 /nfs/dbraw/zinc/18/75/74/1196187574.db2.gz FGHONYHYBAFYLY-BZUAXINKSA-N 0 0 385.530 0.355 10 0 GCAERN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329350928 1196187906 /nfs/dbraw/zinc/18/79/06/1196187906.db2.gz FGHONYHYBAFYLY-PMPSAXMXSA-N 0 0 385.530 0.355 10 0 GCAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)C1=O ZINC000329367993 1196189455 /nfs/dbraw/zinc/18/94/55/1196189455.db2.gz LFUIRWFGZYJAIG-ORAYPTAESA-N 0 0 376.457 0.772 10 0 GCAERN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)cnc21 ZINC000329435957 1196195280 /nfs/dbraw/zinc/19/52/80/1196195280.db2.gz JCSPKYNRZLONEF-LBPRGKRZSA-N 0 0 385.424 0.509 10 0 GCAERN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000474913626 1196195846 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1196785674 /nfs/dbraw/zinc/78/56/74/1196785674.db2.gz SWVVCSANISBMAV-UHFFFAOYSA-N 0 0 397.439 0.133 10 0 GCAERN Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000448277504 1196786366 /nfs/dbraw/zinc/78/63/66/1196786366.db2.gz BFAKEGQEDRUMQD-QWHCGFSZSA-N 0 0 382.486 0.579 10 0 GCAERN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000527440071 1196787169 /nfs/dbraw/zinc/78/71/69/1196787169.db2.gz YGVMVIMSIVJUCF-ZDUSSCGKSA-N 0 0 377.466 0.861 10 0 GCAERN C[C@H]1CN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C[C@@]2(CCOC2)O1 ZINC000527517783 1196792826 /nfs/dbraw/zinc/79/28/26/1196792826.db2.gz SSEGOJQJMQVNCM-OXJNMPFZSA-N 0 0 394.516 0.520 10 0 GCAERN O=C(NCCNS(=O)(=O)c1cccnc1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000448427440 1196801391 /nfs/dbraw/zinc/80/13/91/1196801391.db2.gz XVIPPRSVWOUEHV-UHFFFAOYSA-N 0 0 399.432 0.953 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cncc3C)CC2)cc1 ZINC000527685529 1196808750 /nfs/dbraw/zinc/80/87/50/1196808750.db2.gz VRDUDAANKUNRCS-UHFFFAOYSA-N 0 0 390.465 0.927 10 0 GCAERN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1 ZINC000448543083 1196816267 /nfs/dbraw/zinc/81/62/67/1196816267.db2.gz PKQOCIZEHJOGEO-SFHVURJKSA-N 0 0 393.465 0.925 10 0 GCAERN CC(=O)c1cn(CC(=O)N2CSC[C@@H]2C(=O)N(C)Cc2ccco2)nn1 ZINC000448834932 1196833401 /nfs/dbraw/zinc/83/34/01/1196833401.db2.gz ITUWMFLSNUOKSH-CQSZACIVSA-N 0 0 377.426 0.634 10 0 GCAERN NC(=O)CCn1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC000117704887 1196837271 /nfs/dbraw/zinc/83/72/71/1196837271.db2.gz KBTPZZSMMFERQM-ZDUSSCGKSA-N 0 0 375.454 0.992 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)c2ccccc2-n2ccc(C)n2)CC1 ZINC000448933838 1196842496 /nfs/dbraw/zinc/84/24/96/1196842496.db2.gz SBONAPLONUGZBR-UHFFFAOYSA-N 0 0 383.452 0.991 10 0 GCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000449260477 1196865638 /nfs/dbraw/zinc/86/56/38/1196865638.db2.gz XPXDOFNLRUQQOU-MRXNPFEDSA-N 0 0 379.438 0.653 10 0 GCAERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528776817 1196887960 /nfs/dbraw/zinc/88/79/60/1196887960.db2.gz YFFBDUMRMVKPFQ-FGTMMUONSA-N 0 0 378.494 0.954 10 0 GCAERN CC(=O)c1ccc(S(=O)(=O)N(C)C(=O)c2cn(C[C@H]3CCOC3)nn2)cc1 ZINC000528924090 1196894748 /nfs/dbraw/zinc/89/47/48/1196894748.db2.gz KDYBGEMUDQZSAT-CYBMUJFWSA-N 0 0 392.437 0.978 10 0 GCAERN COc1cc2c(cc1OC)CN(CC(=O)NCCN1CCOC[C@@H]1C)CC2 ZINC000449845453 1196901341 /nfs/dbraw/zinc/90/13/41/1196901341.db2.gz PPFJWODDDXUXMH-HNNXBMFYSA-N 0 0 377.485 0.899 10 0 GCAERN Cn1cccc(NC(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)c1=O ZINC000120543927 1196920876 /nfs/dbraw/zinc/92/08/76/1196920876.db2.gz PMAGQSCFYUYICR-NSHDSACASA-N 0 0 376.363 0.997 10 0 GCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2-c2noc(C)n2)C1 ZINC000371999934 1196923387 /nfs/dbraw/zinc/92/33/87/1196923387.db2.gz YCRZYGTXVXAJNN-GFCCVEGCSA-N 0 0 386.412 0.904 10 0 GCAERN CN(Cc1nnnn1C)Cc1cc(Cl)cc(CN(C)Cc2nnnn2C)c1 ZINC000450484795 1196929757 /nfs/dbraw/zinc/92/97/57/1196929757.db2.gz MUYSTURESXOEQJ-UHFFFAOYSA-N 0 0 390.883 0.651 10 0 GCAERN CCOC(=O)[C@H]1CN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CC12COC2 ZINC000450569586 1196940087 /nfs/dbraw/zinc/94/00/87/1196940087.db2.gz OFMJJOBGRPNSDQ-HUUCEWRRSA-N 0 0 376.457 0.701 10 0 GCAERN C[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)c1ccccc1-n1cccn1 ZINC000121374699 1196957032 /nfs/dbraw/zinc/95/70/32/1196957032.db2.gz CRDOABCCGIORDN-CYBMUJFWSA-N 0 0 388.453 0.762 10 0 GCAERN C[C@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)c1ccccc1-n1cccn1 ZINC000121417755 1196960873 /nfs/dbraw/zinc/96/08/73/1196960873.db2.gz SDLSFBADLMILOY-ZDUSSCGKSA-N 0 0 388.453 0.762 10 0 GCAERN C/C=C\C[C@@H](NC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O)C(=O)OCC ZINC000450914822 1196960979 /nfs/dbraw/zinc/96/09/79/1196960979.db2.gz OJQZRSPQKVWOJV-JPVGGKMYSA-N 0 0 379.438 0.926 10 0 GCAERN COC(=O)c1cc(S(=O)(=O)N2CCCc3c(OCC(N)=O)cccc32)c[nH]1 ZINC000451098241 1196972141 /nfs/dbraw/zinc/97/21/41/1196972141.db2.gz HFIFZOFGEFVFON-UHFFFAOYSA-N 0 0 393.421 0.807 10 0 GCAERN CCOC(=O)[C@@H]1CN(CC(=O)NCCOc2cccc(F)c2)CC12COC2 ZINC000451141276 1196972844 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10 0 GCAERN CCOC(=O)[C@H]1CN(CC(=O)Nc2cccc(C(=O)OC)c2)CC12COC2 ZINC000451133619 1196974768 /nfs/dbraw/zinc/97/47/68/1196974768.db2.gz JZIJRDVVOHBKHG-OAHLLOKOSA-N 0 0 376.409 0.923 10 0 GCAERN CCOC(=O)[C@H]1CN(CC(=O)NCCOc2ccc(F)cc2)CC12COC2 ZINC000451143597 1196975299 /nfs/dbraw/zinc/97/52/99/1196975299.db2.gz XCTQCIWKEMLUQI-MRXNPFEDSA-N 0 0 380.416 0.832 10 0 GCAERN Cc1c(C(=O)NC[C@@H](C)N2CCCCC2=O)cnc2c1c(=O)n(C)c(=O)n2C ZINC000530294830 1196975681 /nfs/dbraw/zinc/97/56/81/1196975681.db2.gz MLHCUOXWDSXBBD-LLVKDONJSA-N 0 0 387.440 0.071 10 0 GCAERN CCCN(CCC)S(=O)(=O)N1CCN(C(=O)Cc2cn(C)nc2C)CC1 ZINC000451162397 1196977187 /nfs/dbraw/zinc/97/71/87/1196977187.db2.gz BLSNIDAOKDANDV-UHFFFAOYSA-N 0 0 385.534 0.782 10 0 GCAERN CC(=O)N1CCN(c2ccccc2CNC(=O)[C@@H](O)Cc2cnn(C)c2)CC1 ZINC000530330756 1196979304 /nfs/dbraw/zinc/97/93/04/1196979304.db2.gz MWYLMQUUQHDPAL-IBGZPJMESA-N 0 0 385.468 0.308 10 0 GCAERN CC(=O)N1CCN(Cc2ccc(NC(=O)[C@@H](O)Cc3cnn(C)c3)cc2)CC1 ZINC000530337291 1196979380 /nfs/dbraw/zinc/97/93/80/1196979380.db2.gz ZVRJRXCPNBKLEW-IBGZPJMESA-N 0 0 385.468 0.626 10 0 GCAERN CC(=O)N1CCN(C(=O)[C@H](C)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)CC1 ZINC000451264407 1196984573 /nfs/dbraw/zinc/98/45/73/1196984573.db2.gz MZTSAAZEDVDDAJ-QKYXUNIQSA-N 0 0 377.460 0.866 10 0 GCAERN O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)C(=O)NCC1CC1 ZINC000530417456 1196986856 /nfs/dbraw/zinc/98/68/56/1196986856.db2.gz ZEZSWCJDCLHUIC-UHFFFAOYSA-N 0 0 379.482 0.755 10 0 GCAERN CC(=O)N1CC(C(=O)N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)C2CN(C(C)=O)C2)C1 ZINC000530417606 1196987507 /nfs/dbraw/zinc/98/75/07/1196987507.db2.gz XOBDCMYELIAUHM-HDICACEKSA-N 0 0 392.500 0.171 10 0 GCAERN CC(C)[C@@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000530432182 1196988144 /nfs/dbraw/zinc/98/81/44/1196988144.db2.gz RZDBHOYDEXVSOV-CZUORRHYSA-N 0 0 398.533 0.526 10 0 GCAERN CN(C)c1nccc(N2CCN(C(=O)CCCCN3CCOCC3)CC2)n1 ZINC000530476023 1196990276 /nfs/dbraw/zinc/99/02/76/1196990276.db2.gz NAKMVSYAGIRRTC-UHFFFAOYSA-N 0 0 376.505 0.694 10 0 GCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC12COC2 ZINC000451620114 1197001366 /nfs/dbraw/zinc/00/13/66/1197001366.db2.gz MHYRQPNFSNYVSL-CQSZACIVSA-N 0 0 382.438 0.294 10 0 GCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cc(OC)ccc2OC)CC12COC2 ZINC000451621420 1197001478 /nfs/dbraw/zinc/00/14/78/1197001478.db2.gz WBBHNEQYDGGNJN-ZDUSSCGKSA-N 0 0 385.438 0.904 10 0 GCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OC)c(C)o2)CC12COC2 ZINC000451617333 1197002757 /nfs/dbraw/zinc/00/27/57/1197002757.db2.gz AVDPTTXDLWYVHZ-LBPRGKRZSA-N 0 0 387.410 0.575 10 0 GCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)OC)c(C)o2)CC12COC2 ZINC000451617332 1197003010 /nfs/dbraw/zinc/00/30/10/1197003010.db2.gz AVDPTTXDLWYVHZ-GFCCVEGCSA-N 0 0 387.410 0.575 10 0 GCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2c(OC)cccc2OC)CC12COC2 ZINC000451618690 1197003126 /nfs/dbraw/zinc/00/31/26/1197003126.db2.gz FVQIFBQLMXNFFT-GFCCVEGCSA-N 0 0 385.438 0.904 10 0 GCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)OC)CC12COC2 ZINC000451618844 1197003174 /nfs/dbraw/zinc/00/31/74/1197003174.db2.gz GEKYWFPDUYBSGV-RDBSUJKOSA-N 0 0 389.470 0.560 10 0 GCAERN CC(=O)N1CCN(C(=O)[C@H](C)N2CCCc3c(OCC(N)=O)cccc32)CC1 ZINC000451659129 1197007703 /nfs/dbraw/zinc/00/77/03/1197007703.db2.gz AAEANHICTFXYBB-AWEZNQCLSA-N 0 0 388.468 0.383 10 0 GCAERN NC(=O)COc1cccc2c1CCCN2Cc1nnnn1CC1CCOCC1 ZINC000451658577 1197007722 /nfs/dbraw/zinc/00/77/22/1197007722.db2.gz BCLQDGBKDIHJHD-UHFFFAOYSA-N 0 0 386.456 0.917 10 0 GCAERN CC(C)(O)CN1CCN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000530681097 1197008756 /nfs/dbraw/zinc/00/87/56/1197008756.db2.gz GESIVUGPDMVHCS-UHFFFAOYSA-N 0 0 390.484 0.377 10 0 GCAERN CN(C[C@H](O)CN1CCOCC1)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000530722799 1197011948 /nfs/dbraw/zinc/01/19/48/1197011948.db2.gz KSVVMWLPQKRZKZ-SFHVURJKSA-N 0 0 378.473 0.680 10 0 GCAERN CCOC(=O)CCCS(=O)(=O)N1CCCc2c(OCC(N)=O)cccc21 ZINC000451902172 1197023679 /nfs/dbraw/zinc/02/36/79/1197023679.db2.gz NJAXCBULCPNLBD-UHFFFAOYSA-N 0 0 384.454 0.976 10 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1197046667 /nfs/dbraw/zinc/04/66/67/1197046667.db2.gz INCSWQDZIGUWAD-AWEZNQCLSA-N 0 0 387.436 0.768 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC12COC2 ZINC000452251699 1197047335 /nfs/dbraw/zinc/04/73/35/1197047335.db2.gz CWGFXIJKWVQUCS-GFCCVEGCSA-N 0 0 386.426 0.182 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2)CC12COC2 ZINC000452227410 1197047619 /nfs/dbraw/zinc/04/76/19/1197047619.db2.gz LONWAABNVYPCLH-HNNXBMFYSA-N 0 0 396.465 0.393 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)c2cn(-c3cccc(OC)c3)nn2)CC12COC2 ZINC000452226916 1197047639 /nfs/dbraw/zinc/04/76/39/1197047639.db2.gz SPGVWXTXJYDZQW-OAHLLOKOSA-N 0 0 386.408 0.928 10 0 GCAERN CCOC(=O)[C@@H]1CN(C(=O)CNC(=O)c2cccc(OC)c2)CC12COC2 ZINC000452229358 1197047663 /nfs/dbraw/zinc/04/76/63/1197047663.db2.gz PJMBWBBDXSURLS-HNNXBMFYSA-N 0 0 376.409 0.463 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC12COC2 ZINC000452225215 1197047702 /nfs/dbraw/zinc/04/77/02/1197047702.db2.gz QFGXSNKOKSXSLR-VXGBXAGGSA-N 0 0 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ZINC000177226941 1197189326 /nfs/dbraw/zinc/18/93/26/1197189326.db2.gz UUJXIQPPNGQOTB-AWEZNQCLSA-N 0 0 394.907 0.777 10 0 GCAERN O=C(NCCn1c(=O)[nH]c2ccccc21)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180606145 1197201592 /nfs/dbraw/zinc/20/15/92/1197201592.db2.gz UBSMDNGHSAZBNF-UHFFFAOYSA-N 0 0 391.391 0.870 10 0 GCAERN CN(C)C(=O)c1cc(S(=O)(=O)NCc2cccnc2-n2ccnc2)cn1C ZINC000181027458 1197203210 /nfs/dbraw/zinc/20/32/10/1197203210.db2.gz OVAZTNMBKJYJCP-UHFFFAOYSA-N 0 0 388.453 0.786 10 0 GCAERN CCN1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181092903 1197203342 /nfs/dbraw/zinc/20/33/42/1197203342.db2.gz VDVJSCBJZQEOOV-YJBOKZPZSA-N 0 0 398.866 0.983 10 0 GCAERN COc1ccc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1-n1cnnn1 ZINC000181082378 1197203428 /nfs/dbraw/zinc/20/34/28/1197203428.db2.gz HTKVESGDCDGMMP-AWEZNQCLSA-N 0 0 382.428 0.803 10 0 GCAERN CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)n(C)c1 ZINC000181269500 1197203924 /nfs/dbraw/zinc/20/39/24/1197203924.db2.gz COOZCFWRGBGRHH-CYBMUJFWSA-N 0 0 394.501 0.408 10 0 GCAERN Cn1cc(NC(=O)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)ccc1=O ZINC000183127007 1197208089 /nfs/dbraw/zinc/20/80/89/1197208089.db2.gz GLWXBHVVKUYRGR-LBPRGKRZSA-N 0 0 375.816 0.767 10 0 GCAERN Cn1cc(NC(=O)C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)ccc1=O ZINC000183126987 1197208159 /nfs/dbraw/zinc/20/81/59/1197208159.db2.gz GLWXBHVVKUYRGR-GFCCVEGCSA-N 0 0 375.816 0.767 10 0 GCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000183086704 1197208397 /nfs/dbraw/zinc/20/83/97/1197208397.db2.gz LZASXHJFLGBMPG-MRXNPFEDSA-N 0 0 394.435 0.889 10 0 GCAERN NC(=O)Cn1cc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)nn1 ZINC000183473656 1197209177 /nfs/dbraw/zinc/20/91/77/1197209177.db2.gz BGSJXDOGJSJBLM-CYBMUJFWSA-N 0 0 383.330 0.996 10 0 GCAERN CCN1CCN(c2ccc(C(=O)N3CCO[C@@H](C(=O)NC)C3)cc2F)CC1 ZINC000183981400 1197210089 /nfs/dbraw/zinc/21/00/89/1197210089.db2.gz QZUQHKGTDKFMJT-QGZVFWFLSA-N 0 0 378.448 0.555 10 0 GCAERN COC[C@H](C)n1ccc(=NC(=O)C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)[nH]1 ZINC000375559381 1197213294 /nfs/dbraw/zinc/21/32/94/1197213294.db2.gz VKIPXDUCISZMCU-QWHCGFSZSA-N 0 0 389.460 0.769 10 0 GCAERN CC(C)Cn1c(N)c(C(=O)CN2CCC[C@@H](C)[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000263071723 1197224402 /nfs/dbraw/zinc/22/44/02/1197224402.db2.gz POJKXBCKQQIUKZ-RISCZKNCSA-N 0 0 380.445 0.153 10 0 GCAERN NC(=O)CNC(=O)c1ccc(CNC(=O)Cn2cc(-c3ccccc3)nn2)cc1 ZINC000532388118 1197226902 /nfs/dbraw/zinc/22/69/02/1197226902.db2.gz CKRGJWGQRBFKHD-UHFFFAOYSA-N 0 0 392.419 0.477 10 0 GCAERN CNC(=O)CN1CCC(NC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 ZINC000186173242 1197227259 /nfs/dbraw/zinc/22/72/59/1197227259.db2.gz QXDKLHUMDRDUCG-UHFFFAOYSA-N 0 0 389.504 0.329 10 0 GCAERN Cn1c2[nH]c(CCC(=O)N3Cc4ccccc4C4(CC4)C3)nc2c(=O)[nH]c1=O ZINC000187300984 1197230413 /nfs/dbraw/zinc/23/04/13/1197230413.db2.gz YSVKTWVADJDKGB-UHFFFAOYSA-N 0 0 379.420 0.957 10 0 GCAERN C[C@H]1CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CCN1CCO ZINC000187739665 1197232026 /nfs/dbraw/zinc/23/20/26/1197232026.db2.gz HORIHUJLPBALHO-KRWDZBQOSA-N 0 0 388.512 0.862 10 0 GCAERN C[C@H]1CN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CCN1CCO ZINC000188700814 1197233829 /nfs/dbraw/zinc/23/38/29/1197233829.db2.gz UGOCFJVKKZUBHQ-AWEZNQCLSA-N 0 0 376.432 0.829 10 0 GCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189419082 1197236977 /nfs/dbraw/zinc/23/69/77/1197236977.db2.gz YFELRDOXOMKTPY-UHFFFAOYSA-N 0 0 384.440 0.582 10 0 GCAERN C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189681761 1197237991 /nfs/dbraw/zinc/23/79/91/1197237991.db2.gz CLSJPWKDGNZNOO-OCCSQVGLSA-N 0 0 381.502 0.101 10 0 GCAERN C[C@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1O ZINC000332789967 1197238108 /nfs/dbraw/zinc/23/81/08/1197238108.db2.gz AJRQQIVSTBTNTG-WMLDXEAASA-N 0 0 397.497 0.620 10 0 GCAERN Cn1cc(S(=O)(=O)NCCN2CCN(c3cc(C4CC4)[nH]n3)CC2)cn1 ZINC000189743565 1197238578 /nfs/dbraw/zinc/23/85/78/1197238578.db2.gz URXLHPSXJCUFPU-UHFFFAOYSA-N 0 0 379.490 0.121 10 0 GCAERN NC(=O)c1cnn2c1nccc2C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189968715 1197239787 /nfs/dbraw/zinc/23/97/87/1197239787.db2.gz YLCPIBNCHIPIEP-UHFFFAOYSA-N 0 0 380.412 0.391 10 0 GCAERN COCCN1CCCN(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1=O ZINC000190773219 1197242081 /nfs/dbraw/zinc/24/20/81/1197242081.db2.gz QSRRSDHAVWLXMB-SFHVURJKSA-N 0 0 388.512 0.810 10 0 GCAERN CCc1nnc(C2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)cn3C)CC2)[nH]1 ZINC000191507578 1197243787 /nfs/dbraw/zinc/24/37/87/1197243787.db2.gz KQXBDPNTLVIFHN-UHFFFAOYSA-N 0 0 394.501 0.976 10 0 GCAERN CCc1nnc(C2CCN(C(=O)Cc3c(C)nc4nc(N)nn4c3C)CC2)[nH]1 ZINC000191786023 1197244192 /nfs/dbraw/zinc/24/41/92/1197244192.db2.gz OKGWCXRXZOMHPR-UHFFFAOYSA-N 0 0 383.460 0.953 10 0 GCAERN Cn1cc(S(=O)(=O)NCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cn1 ZINC000192646569 1197246770 /nfs/dbraw/zinc/24/67/70/1197246770.db2.gz YWQAZDSPORSHQI-UHFFFAOYSA-N 0 0 391.428 0.904 10 0 GCAERN COc1ccccc1N1CCN(C(=O)C(=O)NCCCN2CCCC2=O)CC1 ZINC000170316125 1197253391 /nfs/dbraw/zinc/25/33/91/1197253391.db2.gz JUGVKAAPKYQYNG-UHFFFAOYSA-N 0 0 388.468 0.473 10 0 GCAERN CC(=O)N1CCN(CCNC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)CC1 ZINC000666399657 1197272509 /nfs/dbraw/zinc/27/25/09/1197272509.db2.gz REBPJTGRDQTZBR-ZIAGYGMSSA-N 0 0 381.395 0.251 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000909674205 1197286519 /nfs/dbraw/zinc/28/65/19/1197286519.db2.gz PPYYDGJBGAUAOI-AWEZNQCLSA-N 0 0 386.351 0.695 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000909674172 1197286609 /nfs/dbraw/zinc/28/66/09/1197286609.db2.gz PIGCEONUPBCSLD-SFHVURJKSA-N 0 0 389.452 0.121 10 0 GCAERN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)[C@@H]3CN(C(C)=O)CCO3)ccc21 ZINC000909674155 1197286693 /nfs/dbraw/zinc/28/66/93/1197286693.db2.gz PBJVPUISSWJMQK-SGTLLEGYSA-N 0 0 388.420 0.957 10 0 GCAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000193542361 1197287144 /nfs/dbraw/zinc/28/71/44/1197287144.db2.gz CMVKSWJPKZFHQS-AWEZNQCLSA-N 0 0 395.471 0.831 10 0 GCAERN CC(=O)N1CCO[C@@H](C(=O)OCCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000909674987 1197289541 /nfs/dbraw/zinc/28/95/41/1197289541.db2.gz JRIFGAFJTLDNAW-MRXNPFEDSA-N 0 0 385.438 0.650 10 0 GCAERN CC(=O)N1CCO[C@H](C(=O)OCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000909676715 1197293896 /nfs/dbraw/zinc/29/38/96/1197293896.db2.gz WHKQWGGACQNWGC-WMZOPIPTSA-N 0 0 389.452 0.420 10 0 GCAERN O=C(c1cn2cccnc2n1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000532463054 1197305835 /nfs/dbraw/zinc/30/58/35/1197305835.db2.gz YFGNAXCHMMMAPZ-ZDUSSCGKSA-N 0 0 391.387 0.867 10 0 GCAERN CN(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C1 ZINC000454071658 1197322752 /nfs/dbraw/zinc/32/27/52/1197322752.db2.gz UGDTXEFLSCWCEE-OAHLLOKOSA-N 0 0 388.472 0.883 10 0 GCAERN CN1CCN(C(=O)CC2CCN(C(=O)NCCCn3ccnc3)CC2)CC1 ZINC000114907975 1197337062 /nfs/dbraw/zinc/33/70/62/1197337062.db2.gz YMKFYVDNLBAFGN-UHFFFAOYSA-N 0 0 376.505 0.859 10 0 GCAERN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000454165877 1197338807 /nfs/dbraw/zinc/33/88/07/1197338807.db2.gz WPNDAGIJVSDUTJ-SFHVURJKSA-N 0 0 379.461 1.552 10 0 GCAERN CCNC(=O)C(C)(C)CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000532605480 1197338962 /nfs/dbraw/zinc/33/89/62/1197338962.db2.gz KBVWKNKPCVJAGM-UHFFFAOYSA-N 0 0 376.457 0.740 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)c2ccc[nH]2)CC1 ZINC000454179782 1197341279 /nfs/dbraw/zinc/34/12/79/1197341279.db2.gz YCUOTJMWUAYSBK-UHFFFAOYSA-N 0 0 376.438 0.454 10 0 GCAERN CC(C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)N1CCOCC1 ZINC000332761607 1197343321 /nfs/dbraw/zinc/34/33/21/1197343321.db2.gz ODUOWDOZKKQBKX-ZWKOTPCHSA-N 0 0 396.532 0.624 10 0 GCAERN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000332885394 1197345912 /nfs/dbraw/zinc/34/59/12/1197345912.db2.gz ABUJCVFTKJFQDA-KGLIPLIRSA-N 0 0 398.485 0.429 10 0 GCAERN COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)CC2 ZINC000332926362 1197347499 /nfs/dbraw/zinc/34/74/99/1197347499.db2.gz KNQRBTZNLCATNT-KBPBESRZSA-N 0 0 393.513 0.947 10 0 GCAERN O=C(NC[C@@H](CO)c1ccccc1)NCC1(N2CCOCC2)CCOCC1 ZINC000459215670 1197350208 /nfs/dbraw/zinc/35/02/08/1197350208.db2.gz SNONSTRLNOPIRD-SFHVURJKSA-N 0 0 377.485 0.943 10 0 GCAERN CC(=O)N1CCN(C(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)CC1 ZINC000123706706 1197351660 /nfs/dbraw/zinc/35/16/60/1197351660.db2.gz LYUOASFAYPVCDA-UHFFFAOYSA-N 0 0 386.496 0.880 10 0 GCAERN CN1CCN([C@@H](CNC(=O)N2CC[C@@H](NC(N)=O)C2)c2cccs2)CC1 ZINC000536519031 1197351992 /nfs/dbraw/zinc/35/19/92/1197351992.db2.gz ZLFQHQLSQQEPQD-KGLIPLIRSA-N 0 0 380.518 0.489 10 0 GCAERN Cc1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)nn1-c1nc(C)cc(C)n1 ZINC000536523333 1197352328 /nfs/dbraw/zinc/35/23/28/1197352328.db2.gz HUFBREZHOCBVEC-UHFFFAOYSA-N 0 0 397.483 0.624 10 0 GCAERN COc1ccc(CNC(=O)CN2CCCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000125025791 1197354767 /nfs/dbraw/zinc/35/47/67/1197354767.db2.gz ZVGGKWGWQQJVSF-UHFFFAOYSA-N 0 0 388.512 0.942 10 0 GCAERN Cc1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)nn1-c1nc(C)cc(C)n1 ZINC000536533750 1197354973 /nfs/dbraw/zinc/35/49/73/1197354973.db2.gz OOAHURGALQHLAW-UHFFFAOYSA-N 0 0 392.485 0.695 10 0 GCAERN C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCc3ccn(C)n3)cn2)C[C@H](C)O1 ZINC000536578516 1197364949 /nfs/dbraw/zinc/36/49/49/1197364949.db2.gz DDMCHBBTSVKVJT-STQMWFEESA-N 0 0 375.433 0.574 10 0 GCAERN CCn1c(N)c(C(=O)CN2CCO[C@H](c3ccc(F)c(C)c3)C2)c(=O)[nH]c1=O ZINC000129285726 1197365967 /nfs/dbraw/zinc/36/59/67/1197365967.db2.gz PMPCKFDCOZWUQJ-HNNXBMFYSA-N 0 0 390.415 0.842 10 0 GCAERN Cn1c2[nH]c(CN3CCC[C@@H]3C(=O)Nc3nccs3)nc2c(=O)n(C)c1=O ZINC000131873013 1197378369 /nfs/dbraw/zinc/37/83/69/1197378369.db2.gz CGOMEIYVSWOGBV-SECBINFHSA-N 0 0 389.441 0.020 10 0 GCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2ccnc(-n3cccn3)c2)CC12COC2 ZINC000454255621 1197381121 /nfs/dbraw/zinc/38/11/21/1197381121.db2.gz WDOJFGJCKRMAOI-OAHLLOKOSA-N 0 0 385.424 0.988 10 0 GCAERN Cn1cc(/C=C/C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c(=O)n(C)c1=O ZINC000134808818 1197386387 /nfs/dbraw/zinc/38/63/87/1197386387.db2.gz RUIHIXITPGSMNF-GFUIURDCSA-N 0 0 389.843 0.541 10 0 GCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000152504492 1197387682 /nfs/dbraw/zinc/38/76/82/1197387682.db2.gz NQXZXSLOAJPRCP-UHFFFAOYSA-N 0 0 383.452 0.198 10 0 GCAERN CC(=O)c1ccc(N2CCN(C(=O)CN3CCNC(=O)CC3)CC2)c(F)c1 ZINC000054259384 1197388674 /nfs/dbraw/zinc/38/86/74/1197388674.db2.gz ZIBIZZVQXMFUIL-UHFFFAOYSA-N 0 0 376.432 0.499 10 0 GCAERN Cn1cc(/C=C/C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c(=O)n(C)c1=O ZINC000054231029 1197388805 /nfs/dbraw/zinc/38/88/05/1197388805.db2.gz RMHKWWVPOHXERO-CMDGGOBGSA-N 0 0 396.447 0.518 10 0 GCAERN O=C(CN1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1)NC1CCCCC1 ZINC000532699383 1197390791 /nfs/dbraw/zinc/39/07/91/1197390791.db2.gz KUWSPUYFBQGKSF-MOPGFXCFSA-N 0 0 383.533 0.609 10 0 GCAERN CNC(=O)CN1CCC(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1 ZINC000055993112 1197391971 /nfs/dbraw/zinc/39/19/71/1197391971.db2.gz SJCNYCCSOCHJNH-MRXNPFEDSA-N 0 0 392.525 0.608 10 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1200500272 /nfs/dbraw/zinc/50/02/72/1200500272.db2.gz YDMKRRIOWSPPEO-DDDOEAIBSA-N 0 0 389.518 0.823 10 0 GCAERN Cc1nc(N2CCOCC2)ccc1NC(=O)NCCCN1CCCS1(=O)=O ZINC000676271517 1200524467 /nfs/dbraw/zinc/52/44/67/1200524467.db2.gz SRGNGOOTRBEQTQ-UHFFFAOYSA-N 0 0 397.501 0.774 10 0 GCAERN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676332371 1200547327 /nfs/dbraw/zinc/54/73/27/1200547327.db2.gz LVDYVMKTZZLRJT-YJBOKZPZSA-N 0 0 395.525 0.923 10 0 GCAERN O=C(NCC1(CCO)CCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000676399468 1200554463 /nfs/dbraw/zinc/55/44/63/1200554463.db2.gz ORJOVRUICOJLNN-UHFFFAOYSA-N 0 0 382.482 0.990 10 0 GCAERN CCCn1c(CCC(=O)NC[C@H](O)COC)nc2cc(S(N)(=O)=O)ccc21 ZINC000676534058 1200564721 /nfs/dbraw/zinc/56/47/21/1200564721.db2.gz OPUWRWVAOYPZBQ-LBPRGKRZSA-N 0 0 398.485 0.150 10 0 GCAERN CC(C)CCn1nccc1NC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000676552955 1200567652 /nfs/dbraw/zinc/56/76/52/1200567652.db2.gz OYEXVVZGHLUKDP-OAHLLOKOSA-N 0 0 391.472 0.764 10 0 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1200660334 /nfs/dbraw/zinc/66/03/34/1200660334.db2.gz JQTIWLHYHRAHRD-UHFFFAOYSA-N 0 0 396.473 1.223 10 0 GCAERN Cn1nc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1OC(F)F ZINC000466645000 1200671080 /nfs/dbraw/zinc/67/10/80/1200671080.db2.gz ZODQXJWQAINOKS-UHFFFAOYSA-N 0 0 385.415 0.696 10 0 GCAERN CC(C)(C)n1cnc(NC(=O)C(=O)NCc2nc(COc3ccccc3)n[nH]2)n1 ZINC000473334609 1200681047 /nfs/dbraw/zinc/68/10/47/1200681047.db2.gz LDDDNJSVBXUMOO-UHFFFAOYSA-N 0 0 398.427 0.985 10 0 GCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)c1cccc(CNc2ccncn2)c1 ZINC000542715820 1200737818 /nfs/dbraw/zinc/73/78/18/1200737818.db2.gz JUKMADZMXSOKOJ-OAHLLOKOSA-N 0 0 375.454 0.982 10 0 GCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cccc(CNc2ccncn2)c1 ZINC000542715819 1200738231 /nfs/dbraw/zinc/73/82/31/1200738231.db2.gz JUKMADZMXSOKOJ-HNNXBMFYSA-N 0 0 375.454 0.982 10 0 GCAERN CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N(C)Cc2nnnn2C)c1 ZINC000466655432 1200739630 /nfs/dbraw/zinc/73/96/30/1200739630.db2.gz GJUKHGQLFCZKDV-UHFFFAOYSA-N 0 0 379.808 0.809 10 0 GCAERN Cc1cc(C)n2nc(NC(=O)N3CCN(c4ccnc(N(C)C)n4)CC3)nc2n1 ZINC000531382385 1200756168 /nfs/dbraw/zinc/75/61/68/1200756168.db2.gz GTFGMHIJVKGXRL-UHFFFAOYSA-N 0 0 396.459 0.951 10 0 GCAERN CN(Cc1nnnn1C)C(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000466661449 1200763742 /nfs/dbraw/zinc/76/37/42/1200763742.db2.gz QBNHLGXFQDBUKZ-UHFFFAOYSA-N 0 0 393.835 0.297 10 0 GCAERN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000466669376 1200815943 /nfs/dbraw/zinc/81/59/43/1200815943.db2.gz FZRGFBAJJYURQC-UHFFFAOYSA-N 0 0 394.457 0.953 10 0 GCAERN CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000466677001 1200845687 /nfs/dbraw/zinc/84/56/87/1200845687.db2.gz IGCKWAQYBUVKNS-UHFFFAOYSA-N 0 0 396.835 0.876 10 0 GCAERN COCCOc1ncccc1CNC(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000544182214 1200880529 /nfs/dbraw/zinc/88/05/29/1200880529.db2.gz XFTSBSSOMUJWET-UHFFFAOYSA-N 0 0 376.417 0.708 10 0 GCAERN O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N[C@H](CO)CC1CCCC1 ZINC000555292612 1200881692 /nfs/dbraw/zinc/88/16/92/1200881692.db2.gz 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Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000466717433 1200972667 /nfs/dbraw/zinc/97/26/67/1200972667.db2.gz KCYFSCTZXGFEJR-UHFFFAOYSA-N 0 0 389.485 0.669 10 0 GCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000625988649 1200999568 /nfs/dbraw/zinc/99/95/68/1200999568.db2.gz VMDDJSZAVQMKAJ-UHFFFAOYSA-N 0 0 382.505 0.703 10 0 GCAERN CC[C@H](C)n1nc(NC(=O)C(=O)N2CCN(c3ccnc(C)n3)CC2)cc1C ZINC000546097283 1201009911 /nfs/dbraw/zinc/00/99/11/1201009911.db2.gz WTLMAQQFHHJWEA-ZDUSSCGKSA-N 0 0 385.472 1.548 10 0 GCAERN Cc1nc(C2(NC(=O)Nc3ncn(CC(=O)N(C)C)n3)CCCCCC2)no1 ZINC000465254562 1201023949 /nfs/dbraw/zinc/02/39/49/1201023949.db2.gz SGBFWWITDKJGNM-UHFFFAOYSA-N 0 0 390.448 1.429 10 0 GCAERN Cn1c2ncn(CCOC(=O)C3(c4ccc(C#N)cc4)CC3)c2c(=O)n(C)c1=O ZINC000187179188 1201053060 /nfs/dbraw/zinc/05/30/60/1201053060.db2.gz NLRWWYDNMXZUEA-UHFFFAOYSA-N 0 0 393.403 0.580 10 0 GCAERN CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C1 ZINC000434829033 1201063951 /nfs/dbraw/zinc/06/39/51/1201063951.db2.gz OWCZVAIJBQPJJR-UHFFFAOYSA-N 0 0 378.429 0.760 10 0 GCAERN Nc1nc(=O)[nH]cc1N1CCN(C(=O)Cn2cc(-c3ccccc3)nn2)CC1 ZINC000470946024 1201178121 /nfs/dbraw/zinc/17/81/21/1201178121.db2.gz NYFQFLIDKUPIDY-UHFFFAOYSA-N 0 0 380.412 0.372 10 0 GCAERN CCOC(=O)c1c(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)sc2c1CCC2 ZINC000611197781 1201222060 /nfs/dbraw/zinc/22/20/60/1201222060.db2.gz IVFFMAHVOZYNGR-VIFPVBQESA-N 0 0 394.453 0.621 10 0 GCAERN CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC ZINC000611307465 1201230758 /nfs/dbraw/zinc/23/07/58/1201230758.db2.gz HRXROJLJCBJOFE-UHFFFAOYSA-N 0 0 388.442 0.589 10 0 GCAERN COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)CC2 ZINC000611374456 1201232767 /nfs/dbraw/zinc/23/27/67/1201232767.db2.gz MNMZXEOJUUJISC-CYBMUJFWSA-N 0 0 383.470 0.691 10 0 GCAERN COC(=O)C1CCN(C(=O)[C@H](C)N2CCN(Cc3nnc(C)[nH]3)CC2)CC1 ZINC000611431288 1201236915 /nfs/dbraw/zinc/23/69/15/1201236915.db2.gz JFOYXPZBZKRKNE-ZDUSSCGKSA-N 0 0 378.477 0.031 10 0 GCAERN COC(=O)C1(c2ccc(S(=O)(=O)N3CCN(C4CC4)C(=O)C3)cc2)CC1 ZINC000611446228 1201239345 /nfs/dbraw/zinc/23/93/45/1201239345.db2.gz QKZOBIBRMZFCNG-UHFFFAOYSA-N 0 0 378.450 0.887 10 0 GCAERN COc1cccc(C(=O)COC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000727013730 1201327344 /nfs/dbraw/zinc/32/73/44/1201327344.db2.gz MTMASIWRPYTKQJ-UHFFFAOYSA-N 0 0 381.410 0.442 10 0 GCAERN O=C(NCCCN1CCCC1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000053492738 1201337560 /nfs/dbraw/zinc/33/75/60/1201337560.db2.gz QQPALUYUKQPWLX-UHFFFAOYSA-N 0 0 394.497 0.715 10 0 GCAERN O=C(c1cc(O)c2ccccc2c1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000526924460 1201361492 /nfs/dbraw/zinc/36/14/92/1201361492.db2.gz ODWCAYVFKKHUGD-UHFFFAOYSA-N 0 0 387.421 0.810 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000727646206 1201362482 /nfs/dbraw/zinc/36/24/82/1201362482.db2.gz OWKDNNBWHZFSTO-HNNXBMFYSA-N 0 0 379.486 0.310 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cccc[n+]2[O-])CC1 ZINC000727742692 1201363840 /nfs/dbraw/zinc/36/38/40/1201363840.db2.gz AFJSWTKPMOZHNO-UHFFFAOYSA-N 0 0 376.438 0.191 10 0 GCAERN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 ZINC000727743145 1201364113 /nfs/dbraw/zinc/36/41/13/1201364113.db2.gz OCFXAYQKCZDCCO-UHFFFAOYSA-N 0 0 376.438 0.191 10 0 GCAERN C[C@H]1Oc2ccc(C(=O)COC(=O)CC[C@@H]3NC(=O)NC3=O)cc2NC1=O ZINC000728091070 1201395946 /nfs/dbraw/zinc/39/59/46/1201395946.db2.gz PCXUXDYGCCBDNY-SCZZXKLOSA-N 0 0 375.337 0.120 10 0 GCAERN C[C@H]1Oc2ccc(C(=O)COC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2NC1=O ZINC000728095248 1201396807 /nfs/dbraw/zinc/39/68/07/1201396807.db2.gz NCMHPNPDNUEJNJ-MNOVXSKESA-N 0 0 381.406 0.957 10 0 GCAERN C[C@@H]1Oc2ccc(C(=O)COC(=O)CCN3CCCS3(=O)=O)cc2NC1=O ZINC000728098014 1201397589 /nfs/dbraw/zinc/39/75/89/1201397589.db2.gz XTRQKIIPZZGWQA-NSHDSACASA-N 0 0 396.421 0.558 10 0 GCAERN CCN(CCNC(=O)C(=O)N1CCSC[C@@H]1CCO)C(=O)OC(C)(C)C ZINC000804255691 1201401849 /nfs/dbraw/zinc/40/18/49/1201401849.db2.gz GFHYUVIBVOLXLM-ZDUSSCGKSA-N 0 0 389.518 0.686 10 0 GCAERN O=C(CCC(=O)N1CCOc2ccccc21)NCCN1CCCS1(=O)=O ZINC000730281609 1201441569 /nfs/dbraw/zinc/44/15/69/1201441569.db2.gz OHGBDZSDGIHGEW-UHFFFAOYSA-N 0 0 381.454 0.344 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000730306321 1201442574 /nfs/dbraw/zinc/44/25/74/1201442574.db2.gz STLVFFIVQPQFNB-INIZCTEOSA-N 0 0 388.449 0.953 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1ccccc1SCC(N)=O ZINC000730309590 1201443584 /nfs/dbraw/zinc/44/35/84/1201443584.db2.gz IPOPLXNCROPXDV-LBPRGKRZSA-N 0 0 397.478 0.667 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)O[C@@H](C(=O)N1CCN(C(C)=O)CC1)C(C)C ZINC000730311892 1201444201 /nfs/dbraw/zinc/44/42/01/1201444201.db2.gz QVVKWAVYKBKAJH-LSDHHAIUSA-N 0 0 385.486 0.166 10 0 GCAERN CC(C)[C@@H](OC(=O)Cn1ncc2ccccc21)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000730636048 1201461442 /nfs/dbraw/zinc/46/14/42/1201461442.db2.gz RNHFBIGZOXIIKF-WMLDXEAASA-N 0 0 393.465 0.907 10 0 GCAERN CC(=O)N1CCN(C(=O)CCNC(=O)NCCCNC(=O)OC(C)(C)C)CC1 ZINC000730824848 1201464918 /nfs/dbraw/zinc/46/49/18/1201464918.db2.gz HIRPUEBJOABULQ-UHFFFAOYSA-N 0 0 399.492 0.281 10 0 GCAERN Cn1ncc2c1nc(CCC(=O)N[C@H]1CCN(c3ccccc3)C1=O)[nH]c2=O ZINC000731589397 1201489568 /nfs/dbraw/zinc/48/95/68/1201489568.db2.gz VFMZYZUABGZWJI-AWEZNQCLSA-N 0 0 380.408 0.923 10 0 GCAERN C/C(=C\C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cccc(F)c1 ZINC000732056504 1201515326 /nfs/dbraw/zinc/51/53/26/1201515326.db2.gz SIQLTRYOZZJTAS-FYWRMAATSA-N 0 0 397.472 0.950 10 0 GCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000732165397 1201525085 /nfs/dbraw/zinc/52/50/85/1201525085.db2.gz LNFGZLQLFRAGCD-MSOLQXFVSA-N 0 0 377.510 0.968 10 0 GCAERN CC(=CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(F)c1 ZINC000732367212 1201539641 /nfs/dbraw/zinc/53/96/41/1201539641.db2.gz DBHYXDGXHUXIHO-JXMROGBWSA-N 0 0 375.356 0.635 10 0 GCAERN O=C(NCCCN1CCCS1(=O)=O)N1CCCC[C@@H]1CN1CCCC1=O ZINC000732459432 1201544275 /nfs/dbraw/zinc/54/42/75/1201544275.db2.gz QZTFZYWFDGMYQX-OAHLLOKOSA-N 0 0 386.518 0.599 10 0 GCAERN C[C@@H](Cc1ccccc1)C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000732584417 1201549590 /nfs/dbraw/zinc/54/95/90/1201549590.db2.gz OOLCYKFKFOLMOX-INIZCTEOSA-N 0 0 375.469 0.641 10 0 GCAERN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2cnc(-c3cnn(C)c3)s2)CC1 ZINC000732685176 1201554197 /nfs/dbraw/zinc/55/41/97/1201554197.db2.gz RJTWTWVUXSFRAC-NSHDSACASA-N 0 0 391.453 0.780 10 0 GCAERN C[C@H](NC(=O)Cn1nc(Br)c(Br)n1)c1ncnn1C ZINC000822280136 1201572265 /nfs/dbraw/zinc/57/22/65/1201572265.db2.gz DYFKKYROYOAWNA-YFKPBYRVSA-N 0 0 393.043 0.809 10 0 GCAERN C[C@@H]1Oc2ccc(C(=O)COC(=O)C3CCS(=O)(=O)CC3)cc2NC1=O ZINC000733021745 1201573577 /nfs/dbraw/zinc/57/35/77/1201573577.db2.gz JUEVDEWBESZKDX-JTQLQIEISA-N 0 0 381.406 0.957 10 0 GCAERN CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000822634886 1201580077 /nfs/dbraw/zinc/58/00/77/1201580077.db2.gz GLMOXSUAMYNHBM-WMZOPIPTSA-N 0 0 386.562 0.334 10 0 GCAERN O=C(CCC(=O)N1CCOc2ccccc21)OCCCN1C(=O)CNC1=O ZINC000733493978 1201592236 /nfs/dbraw/zinc/59/22/36/1201592236.db2.gz DYNIZZAWHJTBLT-UHFFFAOYSA-N 0 0 375.381 0.677 10 0 GCAERN CN(C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CS(=O)(=O)C1 ZINC000823628236 1201606186 /nfs/dbraw/zinc/60/61/86/1201606186.db2.gz VHZFNJUFUVVGFM-UHFFFAOYSA-N 0 0 375.491 0.185 10 0 GCAERN CN(C(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000823618762 1201606404 /nfs/dbraw/zinc/60/64/04/1201606404.db2.gz DTVTYYXRFAWHDN-WBMJQRKESA-N 0 0 376.475 0.370 10 0 GCAERN CC(=O)c1ccccc1NC(=O)CCCN1CCOC[C@@H]1CNS(C)(=O)=O ZINC000626098601 1201623396 /nfs/dbraw/zinc/62/33/96/1201623396.db2.gz YUWQFDALAJPLEU-HNNXBMFYSA-N 0 0 397.497 0.858 10 0 GCAERN CC(=O)N1C[C@@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)Oc2ccccc21 ZINC000733974421 1201635187 /nfs/dbraw/zinc/63/51/87/1201635187.db2.gz RKHYZKFPNFGQRZ-KRWDZBQOSA-N 0 0 393.509 0.760 10 0 GCAERN CC[S@](=O)CCNC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 ZINC000733962442 1201635272 /nfs/dbraw/zinc/63/52/72/1201635272.db2.gz LGSKTULWHPBHKK-JWNZJDHWSA-N 0 0 398.481 0.950 10 0 GCAERN COC(=O)CCc1nnn(Cc2c(I)cnn2C)n1 ZINC000824146652 1201637253 /nfs/dbraw/zinc/63/72/53/1201637253.db2.gz NTLHKZMBOPGNGJ-UHFFFAOYSA-N 0 0 376.158 0.165 10 0 GCAERN COC(OC)C(=O)N1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1 ZINC000824229236 1201639751 /nfs/dbraw/zinc/63/97/51/1201639751.db2.gz AZQSQLBZJHIAKW-UHFFFAOYSA-N 0 0 376.388 0.915 10 0 GCAERN COC(OC)C(=O)N1CCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 ZINC000824230459 1201640427 /nfs/dbraw/zinc/64/04/27/1201640427.db2.gz SFIMNSHGZZBWLP-ZDUSSCGKSA-N 0 0 379.388 0.541 10 0 GCAERN NS(=O)(=O)NC1CN(C(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC000825498939 1201662547 /nfs/dbraw/zinc/66/25/47/1201662547.db2.gz XYWNLOGNGRDMSS-UHFFFAOYSA-N 0 0 386.630 0.859 10 0 GCAERN CC[S@@](=O)CCNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000735097476 1201675976 /nfs/dbraw/zinc/67/59/76/1201675976.db2.gz SXSQFTWDXMUOQS-AREMUKBSSA-N 0 0 390.506 0.134 10 0 GCAERN CC[S@](=O)CCNC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000735110342 1201678841 /nfs/dbraw/zinc/67/88/41/1201678841.db2.gz JXAYMLPLECINGS-MHZLTWQESA-N 0 0 391.497 0.931 10 0 GCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 ZINC000735202114 1201683289 /nfs/dbraw/zinc/68/32/89/1201683289.db2.gz ZNCBJOQRSJTTRF-SANMLTNESA-N 0 0 381.454 0.645 10 0 GCAERN Cc1nnc(CN2CCN(C(=O)c3cccc(NS(C)(=O)=O)c3)CC2)[nH]1 ZINC000735823861 1201703034 /nfs/dbraw/zinc/70/30/34/1201703034.db2.gz VGBBQLBSWHGQHE-UHFFFAOYSA-N 0 0 378.458 0.443 10 0 GCAERN O=C([C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)N1CCOC[C@]12CCOC2 ZINC000827611027 1201704487 /nfs/dbraw/zinc/70/44/87/1201704487.db2.gz FXEKRWLIFVGTFB-NUEKZKHPSA-N 0 0 375.343 0.815 10 0 GCAERN O=C(NCC12COCCN1CCOC2)C1(OCc2ccccc2)CCOCC1 ZINC000827666913 1201706401 /nfs/dbraw/zinc/70/64/01/1201706401.db2.gz FXZXZJTVGJRZEC-UHFFFAOYSA-N 0 0 390.480 0.970 10 0 GCAERN O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CCN[C@@H](c2cn[nH]c2)C1 ZINC000827748314 1201707946 /nfs/dbraw/zinc/70/79/46/1201707946.db2.gz QVWWETYTNNVDFD-ZIAGYGMSSA-N 0 0 395.510 0.797 10 0 GCAERN O=C(N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000827771408 1201708086 /nfs/dbraw/zinc/70/80/86/1201708086.db2.gz WVULUIVZNFWGHA-BXUZGUMPSA-N 0 0 380.811 0.919 10 0 GCAERN NS(=O)(=O)NC1CN(C(=O)CCc2cccc(F)c2Br)C1 ZINC000827897872 1201710732 /nfs/dbraw/zinc/71/07/32/1201710732.db2.gz OAAOUVKZVIBWOE-UHFFFAOYSA-N 0 0 380.239 0.525 10 0 GCAERN C[C@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)N1Cc2ccccc2C1=O ZINC000827929359 1201711887 /nfs/dbraw/zinc/71/18/87/1201711887.db2.gz PMUDNATYAISBCX-MRXNPFEDSA-N 0 0 384.480 0.798 10 0 GCAERN Cc1cn(C(C)(C)C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)cn1 ZINC000828087007 1201714313 /nfs/dbraw/zinc/71/43/13/1201714313.db2.gz REMCOVIGYQXQIR-UHFFFAOYSA-N 0 0 377.474 0.561 10 0 GCAERN O=C(NCC12COCCN1CCOC2)c1cccn(Cc2ccccc2)c1=O ZINC000828185468 1201714736 /nfs/dbraw/zinc/71/47/36/1201714736.db2.gz WRFQCOAJIHZGHR-UHFFFAOYSA-N 0 0 383.448 0.728 10 0 GCAERN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCNC(=O)CC3(C)C)C2=O)cc1 ZINC000828309693 1201716490 /nfs/dbraw/zinc/71/64/90/1201716490.db2.gz ONBXOAYWPDWSFS-FQEVSTJZSA-N 0 0 386.452 0.889 10 0 GCAERN O=C(CO)NCCC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000828644795 1201718701 /nfs/dbraw/zinc/71/87/01/1201718701.db2.gz JYYWWFCUHXBILE-UHFFFAOYSA-N 0 0 388.251 0.776 10 0 GCAERN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NC[C@@]3(CO)COCCN3)C2)cc1 ZINC000828697296 1201719140 /nfs/dbraw/zinc/71/91/40/1201719140.db2.gz MDOGSELQYVMRJS-YLJYHZDGSA-N 0 0 375.469 0.314 10 0 GCAERN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NC[C@]3(CO)COCCN3)C2)cc1 ZINC000828697295 1201719342 /nfs/dbraw/zinc/71/93/42/1201719342.db2.gz MDOGSELQYVMRJS-XLIONFOSSA-N 0 0 375.469 0.314 10 0 GCAERN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cnc(C)s2)cc1 ZINC000737253217 1201724581 /nfs/dbraw/zinc/72/45/81/1201724581.db2.gz FSYYADOSRIEGJO-UHFFFAOYSA-N 0 0 398.466 0.888 10 0 GCAERN CN(C)S(=O)(=O)c1cnn(CN2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000738030136 1201733048 /nfs/dbraw/zinc/73/30/48/1201733048.db2.gz OPALWEQMFITUKS-UHFFFAOYSA-N 0 0 383.518 0.815 10 0 GCAERN C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1ccc(-n2cncn2)cc1 ZINC000179123548 1201734772 /nfs/dbraw/zinc/73/47/72/1201734772.db2.gz QSVIIMPHJHBOAM-LLVKDONJSA-N 0 0 376.380 0.900 10 0 GCAERN Cc1cc(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000738860784 1201738671 /nfs/dbraw/zinc/73/86/71/1201738671.db2.gz OYHYGAFCDDFFCA-CYBMUJFWSA-N 0 0 376.413 0.210 10 0 GCAERN COC(=O)c1ccc(=O)n(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)n1 ZINC000739837797 1201743283 /nfs/dbraw/zinc/74/32/83/1201743283.db2.gz KUOLFKCNZOUKGV-UHFFFAOYSA-N 0 0 386.408 0.454 10 0 GCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)CCC(=O)N2CCOc3ccccc32)C1 ZINC000740706781 1201748684 /nfs/dbraw/zinc/74/86/84/1201748684.db2.gz WPYWIGCTSUIGFQ-CYBMUJFWSA-N 0 0 381.454 0.472 10 0 GCAERN CC[S@](=O)CCNC(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000741079415 1201757175 /nfs/dbraw/zinc/75/71/75/1201757175.db2.gz HKTXWPRNEQPXTJ-SANMLTNESA-N 0 0 390.550 0.997 10 0 GCAERN CC[S@](=O)CCNC(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000741086095 1201757205 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