smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cc(S(=O)(=O)N2C[C@@]3(C)CN(C)C[C@]3(C)C2)cn1C ZINC000824179855 836520712 /nfs/dbraw/zinc/52/07/12/836520712.db2.gz NTPOTICCPHXGMT-HZPDHXFCSA-N 0 3 355.460 0.774 10 0 FCAEHN COc1ccc([C@@H](NC(C)C)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000824651683 836523158 /nfs/dbraw/zinc/52/31/58/836523158.db2.gz LKERCHBGNMAFEQ-GOEBONIOSA-N 0 3 369.487 0.884 10 0 FCAEHN O=C1NC2(CCCCC2)C(=O)N1NS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000828301536 836539505 /nfs/dbraw/zinc/53/95/05/836539505.db2.gz PASLLYUHMKYNTF-HNNXBMFYSA-N 0 3 370.475 0.561 10 0 FCAEHN COC(=O)C[C@H]1CSCCN1S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914170362 836563030 /nfs/dbraw/zinc/56/30/30/836563030.db2.gz LFORADUTFWSFBI-ZFWWWQNUSA-N 0 3 362.517 0.783 10 0 FCAEHN COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCOC[C@H]2C)CC1 ZINC001117328739 846963195 /nfs/dbraw/zinc/96/31/95/846963195.db2.gz JNSXARFGLQOLCF-UKRRQHHQSA-N 0 3 355.479 0.533 10 0 FCAEHN NC(=O)[C@@H]1CC[C@H](CCC(=O)NCC2(NCCC(F)(F)F)CC2)O1 ZINC001277120176 861771742 /nfs/dbraw/zinc/77/17/42/861771742.db2.gz VFAMRDIMLFWOHD-MNOVXSKESA-N 0 3 351.369 0.990 10 0 FCAEHN COCC1(CCNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC001118243155 847341553 /nfs/dbraw/zinc/34/15/53/847341553.db2.gz RNMOOPHDDWFHLD-UHFFFAOYSA-N 0 3 354.495 0.015 10 0 FCAEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cncc(OCC(F)F)c1 ZINC001118279808 847359399 /nfs/dbraw/zinc/35/93/99/847359399.db2.gz MKEBAKNLXXXAJP-NSHDSACASA-N 0 3 356.373 0.918 10 0 FCAEHN CN(C)CCN1CCN(C(=O)NCc2ccc(Br)o2)CC1=O ZINC001118341872 847390274 /nfs/dbraw/zinc/39/02/74/847390274.db2.gz ISCICWZNLIKCJI-UHFFFAOYSA-N 0 3 373.251 0.958 10 0 FCAEHN CS(=O)(=O)Nc1ccccc1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001118372795 847403168 /nfs/dbraw/zinc/40/31/68/847403168.db2.gz JEEJQANEOLQRHD-UONOGXRCSA-N 0 3 368.459 0.019 10 0 FCAEHN CC(C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC001118455990 847431141 /nfs/dbraw/zinc/43/11/41/847431141.db2.gz SYWBMXPLQWVVPQ-CQSZACIVSA-N 0 3 352.479 0.302 10 0 FCAEHN COCCCN(C)CCNC(=O)C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC001118626996 847505516 /nfs/dbraw/zinc/50/55/16/847505516.db2.gz PYHRUXNTJOMALS-LBPRGKRZSA-N 0 3 369.384 0.251 10 0 FCAEHN CCN(C(=O)C(=O)NCC1(SC)CCOCC1)[C@@H]1CCN(CC)C1 ZINC001118630439 847507428 /nfs/dbraw/zinc/50/74/28/847507428.db2.gz XBKOTBOLKYBOCY-CQSZACIVSA-N 0 3 357.520 0.958 10 0 FCAEHN C[C@@H](CNC(=O)C(=O)NCC[C@@]1(C)CC1(F)F)CN1CCN(C)CC1 ZINC001118660396 847521864 /nfs/dbraw/zinc/52/18/64/847521864.db2.gz RGVBXVGEIIIMDA-BBRMVZONSA-N 0 3 360.449 0.538 10 0 FCAEHN COC(=O)C[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CC1 ZINC001118734492 847561297 /nfs/dbraw/zinc/56/12/97/847561297.db2.gz BTKWGMNSSNBVPK-CABCVRRESA-N 0 3 351.447 0.292 10 0 FCAEHN CC(=O)OC1CCN(C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC001118824470 847594043 /nfs/dbraw/zinc/59/40/43/847594043.db2.gz DHLHSLJRBCJBSO-OAHLLOKOSA-N 0 3 351.447 0.674 10 0 FCAEHN CC(=O)N1CC[C@@H](c2nc(-c3cn(C[C@H]4CNCCO4)nn3)cs2)C1 ZINC001119378248 847827784 /nfs/dbraw/zinc/82/77/84/847827784.db2.gz DHAYWVOPBVEGNR-CHWSQXEVSA-N 0 3 362.459 0.726 10 0 FCAEHN CN1CCN(CCNC(=O)C(=O)NCC2(C)CC(F)(F)C2)CC1(C)C ZINC001119538405 847879955 /nfs/dbraw/zinc/87/99/55/847879955.db2.gz RWTQSFFTUOPPEQ-UHFFFAOYSA-N 0 3 360.449 0.680 10 0 FCAEHN CCN(C(=O)C(=O)NCC[C@H]1CCCS1(=O)=O)[C@@H]1CCN(CC)C1 ZINC001119576747 847894741 /nfs/dbraw/zinc/89/47/41/847894741.db2.gz OQMJNKSHRITPOU-ZIAGYGMSSA-N 0 3 359.492 0.013 10 0 FCAEHN O=C(NCC[C@H]1CCCS1(=O)=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC001119577104 847895145 /nfs/dbraw/zinc/89/51/45/847895145.db2.gz RBVRTPMKSAPHKT-LSDHHAIUSA-N 0 3 371.503 0.203 10 0 FCAEHN CO[C@@H](C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[C@@H]1CCOC1 ZINC001119601140 847906075 /nfs/dbraw/zinc/90/60/75/847906075.db2.gz VLNMTQSFAHJCDA-HUUCEWRRSA-N 0 3 353.463 0.370 10 0 FCAEHN CO[C@H](C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[C@@H]1CCOC1 ZINC001119601138 847906795 /nfs/dbraw/zinc/90/67/95/847906795.db2.gz VLNMTQSFAHJCDA-CABCVRRESA-N 0 3 353.463 0.370 10 0 FCAEHN Cc1nc([C@@H]2CCN(C(=O)C(=O)NC[C@]3(N(C)C)CCSC3)C2)no1 ZINC001119676225 847933687 /nfs/dbraw/zinc/93/36/87/847933687.db2.gz NPBISIOLFWOZTO-MLGOLLRUSA-N 0 3 367.475 0.247 10 0 FCAEHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCOCC[C@H]2C)CC1 ZINC001119736541 847956782 /nfs/dbraw/zinc/95/67/82/847956782.db2.gz RJEUGENCCWHBSK-JKSUJKDBSA-N 0 3 354.495 0.014 10 0 FCAEHN CN(CCN(C)C1CC1)C(=O)C(=O)NCC1CCC(S(C)(=O)=O)CC1 ZINC001119902181 848024700 /nfs/dbraw/zinc/02/47/00/848024700.db2.gz FGGBYRNOBJKWJU-UHFFFAOYSA-N 0 3 373.519 0.259 10 0 FCAEHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC1CC(CC(=O)OC)C1 ZINC001119910052 848028085 /nfs/dbraw/zinc/02/80/85/848028085.db2.gz ZNJIVLNPGDRAAE-NRXISQOPSA-N 0 3 353.463 0.825 10 0 FCAEHN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC001123790961 848638057 /nfs/dbraw/zinc/63/80/57/848638057.db2.gz ZZBNLXCMXFQFKR-MELADBBJSA-N 0 3 354.451 0.480 10 0 FCAEHN C[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1N1CCOCC1)N1CCN(C)CC1 ZINC001123934367 848657038 /nfs/dbraw/zinc/65/70/38/848657038.db2.gz VDCYFLCPTOKUBA-SQNIBIBYSA-N 0 3 352.523 0.630 10 0 FCAEHN CN1CCN(CCCCNC(=O)c2cn(C3CCOCC3)nn2)CC1 ZINC001136187665 849210303 /nfs/dbraw/zinc/21/03/03/849210303.db2.gz IVZRUCNUFVQTDK-UHFFFAOYSA-N 0 3 350.467 0.387 10 0 FCAEHN CCOC(=O)NCCCC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001136557081 849226978 /nfs/dbraw/zinc/22/69/78/849226978.db2.gz TWDUNMNYKLXSNC-CQSZACIVSA-N 0 3 356.467 0.572 10 0 FCAEHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@H]2CCC[C@]3(CCOC3)O2)CC1 ZINC001168331414 850583087 /nfs/dbraw/zinc/58/30/87/850583087.db2.gz FYUZUGGBKKGOFM-ZHALLVOQSA-N 0 3 351.491 0.953 10 0 FCAEHN Cc1nsc(C)c1CN[C@@H](C)CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001277939397 862152983 /nfs/dbraw/zinc/15/29/83/862152983.db2.gz ZZYNMTMBNISLAV-QCZZGDTMSA-N 0 3 354.476 0.729 10 0 FCAEHN CNC(=O)[C@@]1(C(F)(F)F)CCN(C[C@@H](O)CN(C)CC(F)(F)F)C1 ZINC001171700008 850694203 /nfs/dbraw/zinc/69/42/03/850694203.db2.gz CWNUYSQPLUBKMC-GXSJLCMTSA-N 0 3 365.318 0.842 10 0 FCAEHN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](CCCOC([O-])=NC(N)=O)C2 ZINC001171861460 850697366 /nfs/dbraw/zinc/69/73/66/850697366.db2.gz CBWCRYYZSOSFQJ-ZBEGNZNMSA-N 0 3 357.407 0.472 10 0 FCAEHN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@@H+](CCCOC([O-])=NC(N)=O)C2 ZINC001171861460 850697370 /nfs/dbraw/zinc/69/73/70/850697370.db2.gz CBWCRYYZSOSFQJ-ZBEGNZNMSA-N 0 3 357.407 0.472 10 0 FCAEHN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](CCCOC(=O)N=C(N)[O-])C2 ZINC001171861460 850697375 /nfs/dbraw/zinc/69/73/75/850697375.db2.gz CBWCRYYZSOSFQJ-ZBEGNZNMSA-N 0 3 357.407 0.472 10 0 FCAEHN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@@H+](CCCOC(=O)N=C(N)[O-])C2 ZINC001171861460 850697379 /nfs/dbraw/zinc/69/73/79/850697379.db2.gz CBWCRYYZSOSFQJ-ZBEGNZNMSA-N 0 3 357.407 0.472 10 0 FCAEHN CNC(=O)NC[C@@H]1CCCCN1CCc1ccc(S(N)(=O)=O)cc1 ZINC001175361936 850762850 /nfs/dbraw/zinc/76/28/50/850762850.db2.gz NAEXKLIUMNZRAK-AWEZNQCLSA-N 0 3 354.476 0.660 10 0 FCAEHN CN(C[C@H](O)C[C@]1(O)CCOC1)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001175400384 850765261 /nfs/dbraw/zinc/76/52/61/850765261.db2.gz PFAWTAPMQPGOTO-JKIFEVAISA-N 0 3 362.467 0.048 10 0 FCAEHN O=C(CCC(=O)N1CCC(O)CC1)NC[C@H]1CCN1C1CCOCC1 ZINC001178940456 850939302 /nfs/dbraw/zinc/93/93/02/850939302.db2.gz CHZRVMLWTGFPRQ-OAHLLOKOSA-N 0 3 353.463 0.119 10 0 FCAEHN CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1 ZINC001179008590 850944981 /nfs/dbraw/zinc/94/49/81/850944981.db2.gz NPABWGIMXRBPPN-CYBMUJFWSA-N 0 3 353.444 0.140 10 0 FCAEHN CCOC(=O)C1CCC(O)(C[C@@H](O)CN(C)CC(C)(CO)CO)CC1 ZINC001191730809 852129418 /nfs/dbraw/zinc/12/94/18/852129418.db2.gz GFSMVXCUYZJVAB-SWKXRBFHSA-N 0 3 361.479 0.145 10 0 FCAEHN CCOC(=O)c1nnc(C2CC[NH+](C[C@H](O)C3(O)CCCC3)CC2)[n-]1 ZINC001193943062 852514680 /nfs/dbraw/zinc/51/46/80/852514680.db2.gz QPWMASCFCQYBJI-ZDUSSCGKSA-N 0 3 352.435 0.827 10 0 FCAEHN CCOC(=O)c1n[n-]c(C2CC[NH+](C[C@H](O)C3(O)CCCC3)CC2)n1 ZINC001193943062 852514686 /nfs/dbraw/zinc/51/46/86/852514686.db2.gz QPWMASCFCQYBJI-ZDUSSCGKSA-N 0 3 352.435 0.827 10 0 FCAEHN COC(=O)C[C@](C)(NCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC001197105522 853059750 /nfs/dbraw/zinc/05/97/50/853059750.db2.gz SMBKMAUSMCDPQL-INIZCTEOSA-N 0 3 369.443 0.594 10 0 FCAEHN O=C(CCN1CCN2CCOC[C@@]2(CO)C1)N1CCc2sccc2C1 ZINC001198165211 853224120 /nfs/dbraw/zinc/22/41/20/853224120.db2.gz PCLRMHYJJKGVME-SFHVURJKSA-N 0 3 365.499 0.402 10 0 FCAEHN CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H](O)CNCc1n[nH]c(C(C)C)n1 ZINC001278767373 862464675 /nfs/dbraw/zinc/46/46/75/862464675.db2.gz HGQYSOPHMVOZAG-NFAWXSAZSA-N 0 3 353.467 0.652 10 0 FCAEHN Cc1cc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)sn1 ZINC001278803608 862494339 /nfs/dbraw/zinc/49/43/39/862494339.db2.gz BUKCNQYKDDCAFE-FRRDWIJNSA-N 0 3 354.476 0.262 10 0 FCAEHN Cc1cccc(Cl)c1CNC[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001278804198 862494481 /nfs/dbraw/zinc/49/44/81/862494481.db2.gz NTDIREOSWYPONL-XQQFMLRXSA-N 0 3 353.850 0.679 10 0 FCAEHN CC(C)OCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001278864638 862544183 /nfs/dbraw/zinc/54/41/83/862544183.db2.gz GYMIMRGYJBHBIJ-LUKYLMHMSA-N 0 3 358.479 0.214 10 0 FCAEHN CC(C)(C)[C@H](CNCCS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001278973315 862590879 /nfs/dbraw/zinc/59/08/79/862590879.db2.gz RPHXIFSRPHPGEO-BZPMIXESSA-N 0 3 356.492 0.678 10 0 FCAEHN Cc1ccc(CN(CCN(C)C)C(=O)NCC(C)(C)CS(N)(=O)=O)o1 ZINC001234592395 857410491 /nfs/dbraw/zinc/41/04/91/857410491.db2.gz RFILRAOKIKYFPO-UHFFFAOYSA-N 0 3 374.507 0.976 10 0 FCAEHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001258450710 858200931 /nfs/dbraw/zinc/20/09/31/858200931.db2.gz BDJGXZVPTCBICW-ZIAGYGMSSA-N 0 3 352.435 0.030 10 0 FCAEHN CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC001261388351 858536226 /nfs/dbraw/zinc/53/62/26/858536226.db2.gz FUJZMSDWDWAORG-HUUCEWRRSA-N 0 3 352.479 0.493 10 0 FCAEHN NS(=O)(=O)C1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC001261630270 858613764 /nfs/dbraw/zinc/61/37/64/858613764.db2.gz HQVDZKCQLYBKDI-OAHLLOKOSA-N 0 3 368.459 0.632 10 0 FCAEHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CC[C@@H](F)[C@H](N)C2)n1 ZINC001261630258 858613989 /nfs/dbraw/zinc/61/39/89/858613989.db2.gz HHGFNWJBVKPBCV-VXGBXAGGSA-N 0 3 361.443 0.529 10 0 FCAEHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001261882106 858699343 /nfs/dbraw/zinc/69/93/43/858699343.db2.gz SKCQKTNAMPSGOB-GXYBRJDSSA-N 0 3 353.463 0.981 10 0 FCAEHN CO[C@@H]1CN(C)[C@](C)(COC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001263583809 859180869 /nfs/dbraw/zinc/18/08/69/859180869.db2.gz MPTKHSMVKIIGQK-CVYDXHPNSA-N 0 3 356.463 0.519 10 0 FCAEHN CC(C)COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)C3CCOCC3)[C@@H]2C1 ZINC001263749382 859202916 /nfs/dbraw/zinc/20/29/16/859202916.db2.gz BTIQYZBMQVEGPR-FGTMMUONSA-N 0 3 354.491 0.979 10 0 FCAEHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCOCC12CCCC2 ZINC001263781399 859211086 /nfs/dbraw/zinc/21/10/86/859211086.db2.gz CKSZYVGWRDFYBR-HNNXBMFYSA-N 0 3 354.495 0.997 10 0 FCAEHN CC(C)(C)OC(=O)COCC(=O)N[C@@H]1CCC[C@H]1N1CCC(O)CC1 ZINC001263881528 859223720 /nfs/dbraw/zinc/22/37/20/859223720.db2.gz OIGDSBJNGJUTLL-HUUCEWRRSA-N 0 3 356.463 0.839 10 0 FCAEHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NCC(=O)Nc2ccon2)C1 ZINC001263889729 859225675 /nfs/dbraw/zinc/22/56/75/859225675.db2.gz MFZHISHHMDYTAF-WCFLWFBJSA-N 0 3 351.407 0.012 10 0 FCAEHN CC(C)[C@@H](O)C(=O)NC[C@H]1CC[C@@H](NCC(=O)Nc2nccs2)C1 ZINC001263899135 859230350 /nfs/dbraw/zinc/23/03/50/859230350.db2.gz UFEOXVVEWULHEZ-OUCADQQQSA-N 0 3 354.476 0.973 10 0 FCAEHN O=C(CNC(=O)N1CCCC1)NC[C@H]1CC[C@@H](NCc2cnns2)C1 ZINC001263900781 859231134 /nfs/dbraw/zinc/23/11/34/859231134.db2.gz TZSFNYAGMLOGCB-QWHCGFSZSA-N 0 3 366.491 0.718 10 0 FCAEHN Cc1nccnc1CN[C@@H]1CC[C@H](CNC(=O)CCNS(C)(=O)=O)C1 ZINC001263902989 859232648 /nfs/dbraw/zinc/23/26/48/859232648.db2.gz DRYPGTCHJAFVSN-UONOGXRCSA-N 0 3 369.491 0.099 10 0 FCAEHN C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C(N)=O)C(=O)N1CCCCCC1 ZINC001264000097 859275975 /nfs/dbraw/zinc/27/59/75/859275975.db2.gz DLDSIUYOAHSCAX-ILXRZTDVSA-N 0 3 352.479 0.480 10 0 FCAEHN CNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C(N)=O)s1 ZINC001264003881 859276678 /nfs/dbraw/zinc/27/66/78/859276678.db2.gz BMFSUVRYUIQVQH-WOPDTQHZSA-N 0 3 366.487 0.812 10 0 FCAEHN Cc1nc(C(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)NC(N)=O)sc1C ZINC001264008291 859277999 /nfs/dbraw/zinc/27/79/99/859277999.db2.gz JNRUTQXTKRUWEY-SKDRFNHKSA-N 0 3 367.475 0.785 10 0 FCAEHN CC[C@@H]1[C@@H](NC(=O)[C@H](C)C(F)(F)F)CCN1CCN1C(=O)CNC1=O ZINC001264061099 859294483 /nfs/dbraw/zinc/29/44/83/859294483.db2.gz YCGGTGRMBOOTBR-GARJFASQSA-N 0 3 364.368 0.706 10 0 FCAEHN COCCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001264092307 859307172 /nfs/dbraw/zinc/30/71/72/859307172.db2.gz TVJNNZOKZDYVAV-XHSDSOJGSA-N 0 3 358.504 0.628 10 0 FCAEHN COCCOC[C@H](O)CN1CC[C@H](NC(=O)C2(F)CCOCC2)[C@H]1C ZINC001264145408 859325868 /nfs/dbraw/zinc/32/58/68/859325868.db2.gz BMRKPEQFHAKQMJ-KFWWJZLASA-N 0 3 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CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nccs2)C1)CC(C)(C)C ZINC001341724213 1269172722 /nfs/dbraw/zinc/17/27/22/1269172722.db2.gz AXXKEXCNXOGRAP-VXGBXAGGSA-N 0 3 354.476 0.423 10 0 FCAEHN Nc1nn2c([n-]1)nc(C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1)cc2=O ZINC001559930947 1269181356 /nfs/dbraw/zinc/18/13/56/1269181356.db2.gz BSECZVMCYILGNH-CQSZACIVSA-N 0 3 362.434 0.047 10 0 FCAEHN Nc1nn2c(nc(CN[C@H](C3CCOCC3)C3(CO)CCC3)cc2=O)[nH]1 ZINC001559930947 1269181358 /nfs/dbraw/zinc/18/13/58/1269181358.db2.gz BSECZVMCYILGNH-CQSZACIVSA-N 0 3 362.434 0.047 10 0 FCAEHN Cn1ccnc1C1(O)CCN(CCc2nnnn2-c2ccccc2)CC1 ZINC001560114816 1269188742 /nfs/dbraw/zinc/18/87/42/1269188742.db2.gz CFKOOJIYJAHGKP-UHFFFAOYSA-N 0 3 353.430 0.922 10 0 FCAEHN COC(=O)CC1CC(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC001341857950 1269247773 /nfs/dbraw/zinc/24/77/73/1269247773.db2.gz ZUBYEECFYWTAOK-NFOMZHRRSA-N 0 3 353.463 0.681 10 0 FCAEHN C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](NC(=O)CCc3cnn(C)c3)C2)C1 ZINC001342294204 1269422359 /nfs/dbraw/zinc/42/23/59/1269422359.db2.gz NNYKYPDQQXCHEO-BFYDXBDKSA-N 0 3 361.490 0.658 10 0 FCAEHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1C)N(C)C ZINC001342360227 1269442284 /nfs/dbraw/zinc/44/22/84/1269442284.db2.gz JAYDYEUABZBLSF-MGPQQGTHSA-N 0 3 358.446 0.646 10 0 FCAEHN Cc1noc([C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C(C)C)n1 ZINC001565494832 1269477796 /nfs/dbraw/zinc/47/77/96/1269477796.db2.gz VEROYHGQNZWILL-AWEZNQCLSA-N 0 3 354.455 0.737 10 0 FCAEHN CC1(C)OC[C@H](/C=C/C(=O)N2CCN(C(=O)CN3CCCC3)CC2)O1 ZINC001565566875 1269478439 /nfs/dbraw/zinc/47/84/39/1269478439.db2.gz LCFJJZPPJOPBBL-NFAHFFEMSA-N 0 3 351.447 0.461 10 0 FCAEHN CN1CCN(C)CC(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)C1 ZINC001565573496 1269478685 /nfs/dbraw/zinc/47/86/85/1269478685.db2.gz ZOBAWKUAEXQYGO-UHFFFAOYSA-N 0 3 362.459 0.669 10 0 FCAEHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@H]1C ZINC001342478320 1269484987 /nfs/dbraw/zinc/48/49/87/1269484987.db2.gz CXIREOOWACSJHB-CKEIUWERSA-N 0 3 361.490 0.820 10 0 FCAEHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H]1C ZINC001342478320 1269484992 /nfs/dbraw/zinc/48/49/92/1269484992.db2.gz CXIREOOWACSJHB-CKEIUWERSA-N 0 3 361.490 0.820 10 0 FCAEHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1C)N(C)C ZINC001342479615 1269486883 /nfs/dbraw/zinc/48/68/83/1269486883.db2.gz PKFGZRGGMQOYBK-QGPMSJSTSA-N 0 3 363.506 0.902 10 0 FCAEHN CC(=O)N[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C3CC3)n2)C1)C(C)C ZINC001565779366 1269493216 /nfs/dbraw/zinc/49/32/16/1269493216.db2.gz JMAVMUQVZMGQFZ-DJSGYFEHSA-N 0 3 362.478 0.779 10 0 FCAEHN CCn1ccc(CN[C@@H]2CC[C@H](CNC(=O)CS(=O)(=O)N(C)C)C2)n1 ZINC001565916768 1269515775 /nfs/dbraw/zinc/51/57/75/1269515775.db2.gz PDNSHORLQWKOFX-UONOGXRCSA-N 0 3 371.507 0.169 10 0 FCAEHN CC(C)=CCN[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1c1cnn(C)c1 ZINC001565924189 1269519284 /nfs/dbraw/zinc/51/92/84/1269519284.db2.gz ADRXRCUAZHPBCG-VNQPRFMTSA-N 0 3 368.503 0.703 10 0 FCAEHN CCO[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1CNCc1nc(C)cs1 ZINC001565944613 1269525197 /nfs/dbraw/zinc/52/51/97/1269525197.db2.gz LCGPAHQFSNORTR-CHWSQXEVSA-N 0 3 370.475 0.761 10 0 FCAEHN CCO[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1CNCc1ncc(C)s1 ZINC001565944712 1269525321 /nfs/dbraw/zinc/52/53/21/1269525321.db2.gz OIWPWRURZLTEFE-CHWSQXEVSA-N 0 3 370.475 0.761 10 0 FCAEHN CCO[C@@H]1CN(C(=O)[C@@H](F)CC)C[C@H]1CNCC(=O)Nc1ccon1 ZINC001565950115 1269529273 /nfs/dbraw/zinc/52/92/73/1269529273.db2.gz HKXLWBGSOMICKD-FRRDWIJNSA-N 0 3 356.398 0.814 10 0 FCAEHN CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1C)N(C)C ZINC001342594954 1269530589 /nfs/dbraw/zinc/53/05/89/1269530589.db2.gz XWFOVXLOPSPDHW-IIDMSEBBSA-N 0 3 366.506 0.548 10 0 FCAEHN C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)CC1OCCCO1)C(=O)N(C)C ZINC001565962722 1269533989 /nfs/dbraw/zinc/53/39/89/1269533989.db2.gz NTVIRDDBCSBOLD-ILXRZTDVSA-N 0 3 355.479 0.833 10 0 FCAEHN CC(C)N(C)C(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CN1CCOCC1 ZINC001565962827 1269534059 /nfs/dbraw/zinc/53/40/59/1269534059.db2.gz SGXPVHYVTSZASU-SJORKVTESA-N 0 3 368.522 0.402 10 0 FCAEHN C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N(C)C1CC1)n1cncn1 ZINC001565962674 1269534359 /nfs/dbraw/zinc/53/43/59/1269534359.db2.gz MPMPVGMNLFIZBF-YCPHGPKFSA-N 0 3 362.478 0.677 10 0 FCAEHN COCCCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1oncc1C ZINC001565976300 1269535987 /nfs/dbraw/zinc/53/59/87/1269535987.db2.gz ULUILGJMMOWTQJ-HIFRSBDPSA-N 0 3 366.462 0.966 10 0 FCAEHN CC[C@H](F)CNC[C@@H]1C[C@H](C)CCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001565975882 1269536164 /nfs/dbraw/zinc/53/61/64/1269536164.db2.gz LSNYDLHBFWDFJI-RDBSUJKOSA-N 0 3 356.442 0.845 10 0 FCAEHN C[C@@H]1CCN(C(=O)C[C@@H]2CCCOC2)[C@H](CNCC(=O)NC(N)=O)C1 ZINC001565977915 1269537956 /nfs/dbraw/zinc/53/79/56/1269537956.db2.gz OSDGWNRLONXYKE-RDBSUJKOSA-N 0 3 354.451 0.215 10 0 FCAEHN C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1cnn(C)c1 ZINC001565979530 1269539382 /nfs/dbraw/zinc/53/93/82/1269539382.db2.gz UYGPDQDDVZARSL-FMKPAKJESA-N 0 3 370.519 0.818 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001342639862 1269545790 /nfs/dbraw/zinc/54/57/90/1269545790.db2.gz NHJITNHMWSMPRR-TZMCWYRMSA-N 0 3 364.446 0.714 10 0 FCAEHN CC[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)CCN1CCOCCOC ZINC001566020399 1269558033 /nfs/dbraw/zinc/55/80/33/1269558033.db2.gz IUTUCRPACNJBDY-HDMKZQKVSA-N 0 3 355.479 0.535 10 0 FCAEHN CCS(=O)(=O)NCCCN1CC[C@@H]2CN(C(=O)CCOC)C[C@@H]2C1 ZINC001566037097 1269566926 /nfs/dbraw/zinc/56/69/26/1269566926.db2.gz CWOWYGJYOVTACP-CABCVRRESA-N 0 3 361.508 0.133 10 0 FCAEHN CC(C)C[C@@H](C(N)=O)C(=O)N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001566054509 1269587529 /nfs/dbraw/zinc/58/75/29/1269587529.db2.gz CVDHSKHJXUKVNT-IKGGRYGDSA-N 0 3 361.490 0.848 10 0 FCAEHN C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCN1CCOC[C@H]1CCCO1 ZINC001566079766 1269592033 /nfs/dbraw/zinc/59/20/33/1269592033.db2.gz CWUWKWIGGHSBFT-OAGGEKHMSA-N 0 3 351.451 0.443 10 0 FCAEHN CO[C@H](C)C(=O)N[C@H]1CCN(CCCN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC001566080549 1269593949 /nfs/dbraw/zinc/59/39/49/1269593949.db2.gz INBBQYITEACFQV-UPJWGTAASA-N 0 3 354.451 0.321 10 0 FCAEHN CSC[C@@H](C)C(=O)N[C@H]1CCN(CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001566082489 1269596074 /nfs/dbraw/zinc/59/60/74/1269596074.db2.gz DFUOPSMSRAMLBV-UPJWGTAASA-N 0 3 356.492 0.506 10 0 FCAEHN CN(Cc1ccsc1)C(=O)CN[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001566773863 1269664008 /nfs/dbraw/zinc/66/40/08/1269664008.db2.gz VXGYJFHQAGKCEQ-MJBXVCDLSA-N 0 3 364.471 0.018 10 0 FCAEHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001566940276 1269668463 /nfs/dbraw/zinc/66/84/63/1269668463.db2.gz CCVBIHIOFQXTLA-XHSDSOJGSA-N 0 3 364.490 0.624 10 0 FCAEHN CC[C@@H]1CCO[C@@H]1C(=O)NCCC[C@@H]1CCCN1CC(=O)NC(=O)NC ZINC001567255223 1269683950 /nfs/dbraw/zinc/68/39/50/1269683950.db2.gz PPKMYFHEKYZGLS-FMKPAKJESA-N 0 3 368.478 0.618 10 0 FCAEHN CO[C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001342936446 1269688588 /nfs/dbraw/zinc/68/85/88/1269688588.db2.gz MYMUHEYVWOVSJM-YNEHKIRRSA-N 0 3 359.417 0.858 10 0 FCAEHN CC[C@@H]1OCC[C@H]1C(=O)N1CCC(CN(C)CC(=O)NC(N)=O)CC1 ZINC001567749528 1269705283 /nfs/dbraw/zinc/70/52/83/1269705283.db2.gz FZZUPJCIPLSXEF-KGLIPLIRSA-N 0 3 354.451 0.167 10 0 FCAEHN CC[C@@H]1OCC[C@H]1C(=O)N1CCC(CN(C)[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001567750050 1269705506 /nfs/dbraw/zinc/70/55/06/1269705506.db2.gz YYAODHLIJFNZAG-CFVMTHIKSA-N 0 3 368.478 0.555 10 0 FCAEHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cnc(C)s2)C[C@H]1OC)N(C)C ZINC001342998693 1269722867 /nfs/dbraw/zinc/72/28/67/1269722867.db2.gz WYLXBSGXOQNYJU-JHJVBQTASA-N 0 3 354.476 0.747 10 0 FCAEHN CO[C@@H](C(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1OC)C1CCC1 ZINC001342999314 1269724060 /nfs/dbraw/zinc/72/40/60/1269724060.db2.gz PCNPNEGQKQJJAP-BFYDXBDKSA-N 0 3 355.479 0.484 10 0 FCAEHN C[C@H](CNCCS(C)(=O)=O)N(C)C(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001568273098 1269725434 /nfs/dbraw/zinc/72/54/34/1269725434.db2.gz HWVVIIAWGROIQT-BMFZPTHFSA-N 0 3 369.487 0.640 10 0 FCAEHN COc1cccc([C@@H]2C[C@H]2C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O)c1 ZINC001568304310 1269728369 /nfs/dbraw/zinc/72/83/69/1269728369.db2.gz KHYFSAFOBPYGGT-TUKIKUTGSA-N 0 3 362.430 0.430 10 0 FCAEHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2CCNCc2cnns2)O1 ZINC001568393846 1269730471 /nfs/dbraw/zinc/73/04/71/1269730471.db2.gz UDCFQGOLAWYLBQ-KWCYVHTRSA-N 0 3 367.475 0.432 10 0 FCAEHN CO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1NC(=O)c1csc(=O)[nH]1 ZINC001343050493 1269747161 /nfs/dbraw/zinc/74/71/61/1269747161.db2.gz JXFCHNKOTGSFDO-ZYHUDNBSSA-N 0 3 356.448 0.145 10 0 FCAEHN CCNC(=O)NC(=O)[C@H](C)NCCN(CC)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001568759859 1269748930 /nfs/dbraw/zinc/74/89/30/1269748930.db2.gz AFVROWJEPUEFGA-DEPYFDJDSA-N 0 3 366.462 0.082 10 0 FCAEHN CC[C@@H]1CCO[C@@H]1C(=O)NCC=CCNCc1cc(=O)n2nccc2[nH]1 ZINC001568865756 1269751604 /nfs/dbraw/zinc/75/16/04/1269751604.db2.gz KPNJFAYOAFTLEV-IUHADDHOSA-N 0 3 359.430 0.600 10 0 FCAEHN 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FCAEHN CS(=O)(=O)CCNC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C1CC1 ZINC001483589670 1196389746 /nfs/dbraw/zinc/38/97/46/1196389746.db2.gz QQIGDHRBVVHMOH-ARFHVFGLSA-N 0 3 351.472 0.714 10 0 FCAEHN COC(=O)CC[C@H](N)C(=O)N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000591933711 1196531559 /nfs/dbraw/zinc/53/15/59/1196531559.db2.gz FECQXAMQKKQABY-INIZCTEOSA-N 0 3 363.458 0.928 10 0 FCAEHN COC(=O)Cc1cccc(NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)n1 ZINC000592253593 1196549720 /nfs/dbraw/zinc/54/97/20/1196549720.db2.gz KBAYMXVQCPALLD-GFCCVEGCSA-N 0 3 363.418 0.381 10 0 FCAEHN COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)COC1(C)CNC1 ZINC000592558796 1196568410 /nfs/dbraw/zinc/56/84/10/1196568410.db2.gz NZTBLFDHLRILCL-UHFFFAOYSA-N 0 3 366.414 0.584 10 0 FCAEHN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000592757398 1196580053 /nfs/dbraw/zinc/58/00/53/1196580053.db2.gz NJJXMNZYIKHPGO-HZPDHXFCSA-N 0 3 364.490 0.574 10 0 FCAEHN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)COC1(C)CNC1 ZINC000592955915 1196600972 /nfs/dbraw/zinc/60/09/72/1196600972.db2.gz GANXPDRKOIRNBX-UHFFFAOYSA-N 0 3 363.414 0.627 10 0 FCAEHN CN(C)CCN1CCN(C(=O)NCCCCC(=O)OC(C)(C)C)CC1=O ZINC000593385771 1196628459 /nfs/dbraw/zinc/62/84/59/1196628459.db2.gz WGRLMRJWOPNIRX-UHFFFAOYSA-N 0 3 370.494 0.914 10 0 FCAEHN COC(=O)CCOc1ccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000594067486 1196690554 /nfs/dbraw/zinc/69/05/54/1196690554.db2.gz MXDJKHWKYRYLEP-LSDHHAIUSA-N 0 3 363.414 0.911 10 0 FCAEHN COC(=O)COc1cccc(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000594225066 1196702800 /nfs/dbraw/zinc/70/28/00/1196702800.db2.gz XXCLJLAEJWAFTC-LSDHHAIUSA-N 0 3 363.414 0.199 10 0 FCAEHN CC(=O)Nc1cccc(CNC[C@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC001272480099 1197133010 /nfs/dbraw/zinc/13/30/10/1197133010.db2.gz ZQTPSSYGJZICFW-WXJALIKYSA-N 0 3 373.453 0.635 10 0 FCAEHN Cn1ccc(CNCC[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n1 ZINC001272503357 1197194502 /nfs/dbraw/zinc/19/45/02/1197194502.db2.gz QCHSEQJXMOPRRS-UOVPBQLFSA-N 0 3 362.474 0.800 10 0 FCAEHN C[C@@H](CN1CCOCC1)NC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000914082415 1197222694 /nfs/dbraw/zinc/22/26/94/1197222694.db2.gz FCSLWZMALBGYGJ-DLBZAZTESA-N 0 3 368.522 0.992 10 0 FCAEHN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000734486838 1197776958 /nfs/dbraw/zinc/77/69/58/1197776958.db2.gz KXSKPSFSGMQDJH-SJLPKXTDSA-N 0 3 374.533 0.926 10 0 FCAEHN Cn1cc([C@@H](O)C[C@H]2CCCN2CCn2nc3ccccn3c2=O)cn1 ZINC000766944297 1199105604 /nfs/dbraw/zinc/10/56/04/1199105604.db2.gz CPCZBZGVFNCSQU-CVEARBPZSA-N 0 3 356.430 0.818 10 0 FCAEHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cnn(C)c1C1CC1 ZINC000770731396 1200476748 /nfs/dbraw/zinc/47/67/48/1200476748.db2.gz WSPOHZBATFNBBH-CQSZACIVSA-N 0 3 363.462 0.805 10 0 FCAEHN COC(=O)Cn1cc(CCOC(=O)CCN2CCc3ccccc3C2)nn1 ZINC000786815823 1200853010 /nfs/dbraw/zinc/85/30/10/1200853010.db2.gz IVUILLZJHLVRLT-UHFFFAOYSA-N 0 3 372.425 0.985 10 0 FCAEHN COC(=O)/C(C)=C/CN[C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC000791627045 1201152945 /nfs/dbraw/zinc/15/29/45/1201152945.db2.gz ZLMRHJBZLHBPBP-OIQJVACTSA-N 0 3 363.462 0.916 10 0 FCAEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCc1ccnn1C ZINC000793716250 1201255688 /nfs/dbraw/zinc/25/56/88/1201255688.db2.gz BLMRZMJGAMKPOD-INIZCTEOSA-N 0 3 357.458 0.368 10 0 FCAEHN Cc1nccc(N2CCN(C(=O)C(=O)NC[C@H](C)N3CCCCC3)CC2)n1 ZINC000793729504 1201256796 /nfs/dbraw/zinc/25/67/96/1201256796.db2.gz XEAAYVMDWKWCSM-HNNXBMFYSA-N 0 3 374.489 0.424 10 0 FCAEHN COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000808028291 1202870877 /nfs/dbraw/zinc/87/08/77/1202870877.db2.gz DJBMHLNSMWHWFZ-UONOGXRCSA-N 0 3 368.478 0.522 10 0 FCAEHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(CN2CCOCC2)cn1 ZINC000810269260 1202941907 /nfs/dbraw/zinc/94/19/07/1202941907.db2.gz CVBMEUBUQRVWCB-DLBZAZTESA-N 0 3 360.458 0.507 10 0 FCAEHN CCc1nn(C)c(C(N)=O)c1NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001132693402 1202962696 /nfs/dbraw/zinc/96/26/96/1202962696.db2.gz NHLCXABTERCPFM-CHWSQXEVSA-N 0 3 373.461 0.489 10 0 FCAEHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)Nc2n[nH]cc2C(=O)NC2CC2)cn1 ZINC001134852834 1203030032 /nfs/dbraw/zinc/03/00/32/1203030032.db2.gz UYUOIYVZRWLGDH-ZFWWWQNUSA-N 0 3 371.445 0.709 10 0 FCAEHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000815705070 1203048582 /nfs/dbraw/zinc/04/85/82/1203048582.db2.gz XKHRIQYRGGUHAF-YOEHRIQHSA-N 0 3 358.442 0.624 10 0 FCAEHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccccc3N3CCOC3=O)[C@@H]2C1 ZINC000815704380 1203048835 /nfs/dbraw/zinc/04/88/35/1203048835.db2.gz FYKABWFQKNYXND-IUODEOHRSA-N 0 3 358.398 0.744 10 0 FCAEHN Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000815704632 1203048950 /nfs/dbraw/zinc/04/89/50/1203048950.db2.gz LSQSJMGWKQPUJL-BBRMVZONSA-N 0 3 371.441 0.626 10 0 FCAEHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)C1 ZINC000816949590 1203084040 /nfs/dbraw/zinc/08/40/40/1203084040.db2.gz ACNAGBJZYIWMGS-MHORFTMASA-N 0 3 373.453 0.921 10 0 FCAEHN CN1C[C@@H]2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)[C@@H]2C1 ZINC000816954280 1203084054 /nfs/dbraw/zinc/08/40/54/1203084054.db2.gz YGVQXCXSMRCOIH-KNXALSJPSA-N 0 3 359.405 0.408 10 0 FCAEHN CN(C)CCn1c2cc(C(=O)N3CCc4n[nH]nc4C3)ccc2[nH]c1=O ZINC001136907917 1203298915 /nfs/dbraw/zinc/29/89/15/1203298915.db2.gz SHPZFLQVOOVKKU-UHFFFAOYSA-N 0 3 355.402 0.620 10 0 FCAEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccccc1N1CCOCC1 ZINC000844033683 1203330481 /nfs/dbraw/zinc/33/04/81/1203330481.db2.gz HYSIKDYHXZGKJH-HNNXBMFYSA-N 0 3 360.458 0.715 10 0 FCAEHN CC(=O)N1C[C@H](C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)Oc2ccccc21 ZINC000844041975 1203331399 /nfs/dbraw/zinc/33/13/99/1203331399.db2.gz UABCPKYXLABGPI-SUMWQHHRSA-N 0 3 374.441 0.379 10 0 FCAEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000844040502 1203331521 /nfs/dbraw/zinc/33/15/21/1203331521.db2.gz NOVWYWVMKUHDOX-MLGOLLRUSA-N 0 3 362.405 0.897 10 0 FCAEHN Cc1nn(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c(=O)n1C ZINC000844728833 1204431885 /nfs/dbraw/zinc/43/18/85/1204431885.db2.gz MELFJBJZTWDSSR-ZWKOTPCHSA-N 0 3 357.458 0.823 10 0 FCAEHN CN(C)CCN1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1=O ZINC000844762066 1204434252 /nfs/dbraw/zinc/43/42/52/1204434252.db2.gz XPFZWQVRHHAMOP-UHFFFAOYSA-N 0 3 374.363 0.100 10 0 FCAEHN CN(C)CCN1CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1=O ZINC000844762245 1204434651 /nfs/dbraw/zinc/43/46/51/1204434651.db2.gz OEPWZIAQDGYBMP-UHFFFAOYSA-N 0 3 370.494 0.912 10 0 FCAEHN CN(C)CCN1CCN(C(=O)NCc2cn(-c3ccccc3)nn2)CC1=O ZINC000845029495 1204459200 /nfs/dbraw/zinc/45/92/00/1204459200.db2.gz IZQZXWFWIRJFHS-UHFFFAOYSA-N 0 3 371.445 0.183 10 0 FCAEHN CN(C)CCN1CCN(C(=O)NCc2ccc(OC(F)F)cn2)CC1=O ZINC000845154843 1204473528 /nfs/dbraw/zinc/47/35/28/1204473528.db2.gz CEZUUKVEDIQPKF-UHFFFAOYSA-N 0 3 371.388 0.598 10 0 FCAEHN CN(C)CCN1CCN(C(=O)C(=O)Nc2ccc(C3CC3)cc2)CC1=O ZINC000846059122 1204578041 /nfs/dbraw/zinc/57/80/41/1204578041.db2.gz YQEUQAIWSMANFR-UHFFFAOYSA-N 0 3 358.442 0.735 10 0 FCAEHN C[C@@H](CNC(=O)C(=O)NCc1ncc2c(n1)CCOC2)N1CCCCC1 ZINC000846726480 1204654573 /nfs/dbraw/zinc/65/45/73/1204654573.db2.gz VYUSJKMIVMWDKE-ZDUSSCGKSA-N 0 3 361.446 0.156 10 0 FCAEHN C[C@@H](CNC(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C)N1CCCCC1 ZINC000846725758 1204655407 /nfs/dbraw/zinc/65/54/07/1204655407.db2.gz OPPICXYESCAHFZ-GOEBONIOSA-N 0 3 363.462 0.311 10 0 FCAEHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000846733848 1204658362 /nfs/dbraw/zinc/65/83/62/1204658362.db2.gz FNKMQUVMLQZFPJ-BBWFWOEESA-N 0 3 365.474 0.287 10 0 FCAEHN CN1C[C@H](NC(=O)CNC(=O)c2cnc3ccccc3c2O)C(C)(C)C1 ZINC001178709639 1206363252 /nfs/dbraw/zinc/36/32/52/1206363252.db2.gz QUBLCGGTEXSNFB-HNNXBMFYSA-N 0 3 356.426 0.714 10 0 FCAEHN CN1C[C@@H](NC(=O)CNC(=O)c2cnc3ccccc3c2O)C(C)(C)C1 ZINC001178709640 1206363362 /nfs/dbraw/zinc/36/33/62/1206363362.db2.gz QUBLCGGTEXSNFB-OAHLLOKOSA-N 0 3 356.426 0.714 10 0 FCAEHN Nc1ncnc2c1ncn2CCC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001178940362 1206368326 /nfs/dbraw/zinc/36/83/26/1206368326.db2.gz ADESYAPGPPYHKN-ZDUSSCGKSA-N 0 3 359.434 0.168 10 0 FCAEHN O=C(c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008423 1206370776 /nfs/dbraw/zinc/37/07/76/1206370776.db2.gz KIKARWNGTYABRP-HUUCEWRRSA-N 0 3 357.410 0.095 10 0 FCAEHN CCN(CCNCc1cccc(C(=O)N(C)C)c1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001273609746 1207734871 /nfs/dbraw/zinc/73/48/71/1207734871.db2.gz DQRHDXZGYCCPAC-CVEARBPZSA-N 0 3 360.458 0.448 10 0 FCAEHN C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001197681431 1208185428 /nfs/dbraw/zinc/18/54/28/1208185428.db2.gz IHTLFQLDBAGJEY-ROWPZFDLSA-N 0 3 371.481 0.999 10 0 FCAEHN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC001197892092 1208203847 /nfs/dbraw/zinc/20/38/47/1208203847.db2.gz SIFMGUORUYYJIJ-COJSNBRMSA-N 0 3 366.462 0.309 10 0 FCAEHN CO[C@@H]1CCOC[C@H]1NCCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC001198112256 1208222602 /nfs/dbraw/zinc/22/26/02/1208222602.db2.gz 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Cc1csc(=O)n1CC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)[C@H]1C ZINC001685268922 1292476739 /nfs/dbraw/zinc/47/67/39/1292476739.db2.gz IEWDLRRUPFTOKW-KGLIPLIRSA-N 0 3 368.503 0.664 10 0 FCAEHN Cc1nnc(CC(=O)N2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]2C)[nH]1 ZINC001685342810 1292505244 /nfs/dbraw/zinc/50/52/44/1292505244.db2.gz VLABYVNTFJSLSP-FFSVYQOJSA-N 0 3 350.467 0.347 10 0 FCAEHN CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CN(C)C(=O)C2CC2)[C@@H]1C ZINC001685342803 1292505765 /nfs/dbraw/zinc/50/57/65/1292505765.db2.gz VCVBDMPHYPHXEM-HIFRSBDPSA-N 0 3 352.479 0.302 10 0 FCAEHN CCCN(C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)[C@@H]1C ZINC001685342418 1292505951 /nfs/dbraw/zinc/50/59/51/1292505951.db2.gz CRKGIXHPMPXBSU-OWCLPIDISA-N 0 3 354.495 0.155 10 0 FCAEHN C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)CCCn3cncn3)[C@H]2C)C1 ZINC001685389621 1292523617 /nfs/dbraw/zinc/52/36/17/1292523617.db2.gz DZWHCUNHSRGSOD-OAGGEKHMSA-N 0 3 362.478 0.506 10 0 FCAEHN C[C@@H]1[C@@H](NC(=O)CN(C)CC(C)(C)C)CCN1C(=O)[C@@H]1CN(C)CCO1 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VJVGAMYHAUIWOD-BZUAXINKSA-N 0 3 366.506 0.455 10 0 FCAEHN CCN(CC)CC(=O)NC[C@]12CCC[C@H]1N(C(=O)[C@@H](C)NC(C)=O)CC2 ZINC001685914877 1292693789 /nfs/dbraw/zinc/69/37/89/1292693789.db2.gz UMNCGXLAOPLQRB-IDHHARJASA-N 0 3 366.506 0.740 10 0 FCAEHN CN(CC(=O)NC[C@]12CCC[C@H]1N(C(=O)c1cn[nH]n1)CC2)C1CCC1 ZINC001685917182 1292694813 /nfs/dbraw/zinc/69/48/13/1292694813.db2.gz NMHXVNRTUWBIEW-CRAIPNDOSA-N 0 3 360.462 0.790 10 0 FCAEHN CCN1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(C)=O)C2 ZINC001685959791 1292707306 /nfs/dbraw/zinc/70/73/06/1292707306.db2.gz ZDIGBLPCEQIQQG-UGUYLWEFSA-N 0 3 350.463 0.245 10 0 FCAEHN CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)C(C)(C)C)C2 ZINC001686002739 1292725396 /nfs/dbraw/zinc/72/53/96/1292725396.db2.gz VVIUFKFZAJQRFE-ILXRZTDVSA-N 0 3 366.506 0.739 10 0 FCAEHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2nnnn2c1 ZINC001686012000 1292730029 /nfs/dbraw/zinc/73/00/29/1292730029.db2.gz BZIPFUWRKHXBIV-ILXRZTDVSA-N 0 3 371.445 0.328 10 0 FCAEHN CC(C)C[C@@H](C(N)=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(C)C)C2 ZINC001686030875 1292737536 /nfs/dbraw/zinc/73/75/36/1292737536.db2.gz KYYQRWWHMBTFSU-UGUYLWEFSA-N 0 3 366.506 0.722 10 0 FCAEHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC(=O)NC1 ZINC001686064021 1292753650 /nfs/dbraw/zinc/75/36/50/1292753650.db2.gz AUPZKURXRUZHDW-XGUBFFRZSA-N 0 3 350.463 0.103 10 0 FCAEHN CCN(CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(N(C)C)nn1 ZINC001686166253 1292797340 /nfs/dbraw/zinc/79/73/40/1292797340.db2.gz UBKWDCJFSSUNAK-BMFZPTHFSA-N 0 3 374.489 0.746 10 0 FCAEHN O=C(CCn1ccccc1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001686182605 1292805249 /nfs/dbraw/zinc/80/52/49/1292805249.db2.gz ZHSDFNVHSCTRMI-ZACQAIPSSA-N 0 3 372.469 0.582 10 0 FCAEHN O=C(COc1cccnc1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH]cn1 ZINC001686210372 1292828569 /nfs/dbraw/zinc/82/85/69/1292828569.db2.gz FAJGTBNJRHYPOD-BMFZPTHFSA-N 0 3 355.398 0.674 10 0 FCAEHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C)n1)C2)CC(C)(C)C ZINC001686232408 1292842112 /nfs/dbraw/zinc/84/21/12/1292842112.db2.gz GSXXEOGMMNLWKF-UPJWGTAASA-N 0 3 363.466 0.050 10 0 FCAEHN CCN(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(=O)n1C)C2 ZINC001686252049 1292856381 /nfs/dbraw/zinc/85/63/81/1292856381.db2.gz QHEZAOCKZMMNQY-KFWWJZLASA-N 0 3 374.485 0.977 10 0 FCAEHN COCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001686324742 1292906036 /nfs/dbraw/zinc/90/60/36/1292906036.db2.gz ITWZDTRNLMDZCY-IJLUTSLNSA-N 0 3 351.369 0.480 10 0 FCAEHN O=S(=O)(C[C@@]12CCN(C1)CCC2)N[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000915940366 836564575 /nfs/dbraw/zinc/56/45/75/836564575.db2.gz REQPPOSEMQFVMP-ULQDDVLXSA-N 0 3 358.504 0.712 10 0 FCAEHN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)CCc1cnn(C)c1 ZINC001275888063 861250433 /nfs/dbraw/zinc/25/04/33/861250433.db2.gz SZWAKJFGBSZMMH-QSPRXWTASA-N 0 3 350.463 0.451 10 0 FCAEHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC3(CO[C@@H](CNCCF)C3)CC2)C1 ZINC001276921311 861693038 /nfs/dbraw/zinc/69/30/38/861693038.db2.gz KLJVZVQGMCFPFJ-QLFBSQMISA-N 0 3 355.454 0.845 10 0 FCAEHN COCCN1CCC(NC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CC1 ZINC001116559581 846706450 /nfs/dbraw/zinc/70/64/50/846706450.db2.gz UEUSKAFSLHKFGS-UHFFFAOYSA-N 0 3 352.439 0.199 10 0 FCAEHN CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)CC1 ZINC001117022781 846849057 /nfs/dbraw/zinc/84/90/57/846849057.db2.gz PFAZEYNMGAJPIR-CQSZACIVSA-N 0 3 360.449 0.824 10 0 FCAEHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H](C)[C@H](F)C2)CC1 ZINC001117060175 846869348 /nfs/dbraw/zinc/86/93/48/846869348.db2.gz SQYOVDPXCZFZTD-OWCLPIDISA-N 0 3 356.486 0.583 10 0 FCAEHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)CC(F)F ZINC001118255156 847349315 /nfs/dbraw/zinc/34/93/15/847349315.db2.gz QYULAZNZYJNHDH-JQWIXIFHSA-N 0 3 358.393 0.308 10 0 FCAEHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NC[C@H](O)C2CCOCC2)cn1 ZINC001118443500 847425714 /nfs/dbraw/zinc/42/57/14/847425714.db2.gz LGTJKIUTDYGYPJ-BBWFWOEESA-N 0 3 350.463 0.359 10 0 FCAEHN CCN(C(=O)C(=O)N1CCC(O)(C(F)(F)F)CC1)[C@H]1CCN(CC)C1 ZINC001118472619 847437833 /nfs/dbraw/zinc/43/78/33/847437833.db2.gz RILDIEQKRJWTLU-LBPRGKRZSA-N 0 3 365.396 0.845 10 0 FCAEHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N(C)OCC(F)(F)F ZINC001118895998 847626323 /nfs/dbraw/zinc/62/63/23/847626323.db2.gz MEBKDGLXKBYHMC-UHFFFAOYSA-N 0 3 354.373 0.035 10 0 FCAEHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC001118995183 847665113 /nfs/dbraw/zinc/66/51/13/847665113.db2.gz CULIFZICKGVTBJ-ZETCQYMHSA-N 0 3 372.232 0.159 10 0 FCAEHN COCCCN(C)CCNC(=O)C(=O)N1CC[C@@](OC)(C(F)(F)F)C1 ZINC001119473611 847855118 /nfs/dbraw/zinc/85/51/18/847855118.db2.gz VYWJHWORTGIRGX-AWEZNQCLSA-N 0 3 369.384 0.251 10 0 FCAEHN O=C(NC[C@@H]1CC2(CCC2)CO1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001119534186 847878028 /nfs/dbraw/zinc/87/80/28/847878028.db2.gz NATGZWSPZSLMPM-SOUVJXGZSA-N 0 3 351.447 0.041 10 0 FCAEHN CSCc1nc(CNC(=O)C(=O)N2CCN(C3CCCC3)CC2)n[nH]1 ZINC001119583767 847899300 /nfs/dbraw/zinc/89/93/00/847899300.db2.gz BHTHRLBXTXXCAX-UHFFFAOYSA-N 0 3 366.491 0.371 10 0 FCAEHN CSCc1n[nH]c(CNC(=O)C(=O)N2CCN(C3CCCC3)CC2)n1 ZINC001119583767 847899304 /nfs/dbraw/zinc/89/93/04/847899304.db2.gz BHTHRLBXTXXCAX-UHFFFAOYSA-N 0 3 366.491 0.371 10 0 FCAEHN CN(CCNC(=O)c1ccc(-n2cccn2)c(F)c1)CCOCCO ZINC001119612359 847911082 /nfs/dbraw/zinc/91/10/82/847911082.db2.gz CLAIKWWNHFXGGT-UHFFFAOYSA-N 0 3 350.394 0.682 10 0 FCAEHN CC(C)N1CCN(CCCC(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)CC1 ZINC001119669209 847930440 /nfs/dbraw/zinc/93/04/40/847930440.db2.gz GNEASDXBMURFLI-IRXDYDNUSA-N 0 3 371.547 0.686 10 0 FCAEHN O=C1NCCN(S(=O)(=O)C2CNC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001119684372 847937579 /nfs/dbraw/zinc/93/75/79/847937579.db2.gz UVDAGCSLVGMKDN-GFCCVEGCSA-N 0 3 363.361 0.480 10 0 FCAEHN CC1CCN(CCNC(=O)C(=O)NCC(C)(C)CS(C)(=O)=O)CC1 ZINC001119746590 847961924 /nfs/dbraw/zinc/96/19/24/847961924.db2.gz LERYYMIWMAJXRJ-UHFFFAOYSA-N 0 3 361.508 0.022 10 0 FCAEHN 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367.396 0.891 10 0 FCAEHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCC3(C4CCC4)CCC3)C2)nn1 ZINC000418961174 489805740 /nfs/dbraw/zinc/80/57/40/489805740.db2.gz BBNGEPLEUPTWDJ-MRXNPFEDSA-N 0 3 374.489 0.987 10 0 FCAEHN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NCCOCCN(C)C ZINC000475171374 489809657 /nfs/dbraw/zinc/80/96/57/489809657.db2.gz DCKRIDDLYIWCDD-UHFFFAOYSA-N 0 3 359.430 0.814 10 0 FCAEHN C[C@@H](OCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1nccn1C ZINC000376918622 489818221 /nfs/dbraw/zinc/81/82/21/489818221.db2.gz OGAQNTXJZVVIOM-CABCVRRESA-N 0 3 363.462 0.263 10 0 FCAEHN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000460017331 489818952 /nfs/dbraw/zinc/81/89/52/489818952.db2.gz NPEYPPAPPHKUJK-HOTGVXAUSA-N 0 3 364.490 0.590 10 0 FCAEHN COc1cnccc1N1CCN(C(=O)C(=O)N2CCCSCC2)CC1 ZINC000460015291 489819200 /nfs/dbraw/zinc/81/92/00/489819200.db2.gz LNGOFUKPZRCNFT-UHFFFAOYSA-N 0 3 364.471 0.704 10 0 FCAEHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000431928675 489823169 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NC[C@H](NC(=O)C(=O)N1CCC(Oc2cnccn2)CC1)C1CCCC1 ZINC000420056547 489896477 /nfs/dbraw/zinc/89/64/77/489896477.db2.gz BMYOJSBDONCSCA-HNNXBMFYSA-N 0 3 361.446 0.480 10 0 FCAEHN NC[C@H](NC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2)c1ccc2ccccc2c1 ZINC000420065431 489899976 /nfs/dbraw/zinc/89/99/76/489899976.db2.gz VKERHZHLUUJYSX-KSZLIROESA-N 0 3 369.421 0.582 10 0 FCAEHN Cc1nc(N2C[C@@H](C(N)=O)CC[C@H]2C)cc(N2C[C@H](C(N)=O)CC[C@@H]2C)n1 ZINC000555960153 491286023 /nfs/dbraw/zinc/28/60/23/491286023.db2.gz IQBARINKRFQUQL-IKARSPCKSA-N 0 3 374.489 0.965 10 0 FCAEHN C[C@H]1CN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC(=O)N1C ZINC000420065878 489900464 /nfs/dbraw/zinc/90/04/64/489900464.db2.gz VYXDONAGRWYHCE-SUMWQHHRSA-N 0 3 368.437 0.645 10 0 FCAEHN COc1cnccc1N1CCN(C(=O)C(=O)NCCCn2cccn2)CC1 ZINC000555975822 491286870 /nfs/dbraw/zinc/28/68/70/491286870.db2.gz IZOPZULBAOOSAR-UHFFFAOYSA-N 0 3 372.429 0.142 10 0 FCAEHN COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000377560614 489919324 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ZINC000460757866 489881629 /nfs/dbraw/zinc/88/16/29/489881629.db2.gz KRXMNSMCWHEUDI-CYBMUJFWSA-N 0 3 368.482 0.992 10 0 FCAEHN CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)nn1 ZINC000377322657 489884865 /nfs/dbraw/zinc/88/48/65/489884865.db2.gz KJLPSJMDSLJGGD-KBPBESRZSA-N 0 3 361.446 1.288 10 0 FCAEHN CN(C)CCN(C)C(=O)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000476412087 489886095 /nfs/dbraw/zinc/88/60/95/489886095.db2.gz SFIHNPMRFGZGBR-UHFFFAOYSA-N 0 3 353.492 0.422 10 0 FCAEHN COCCc1cc(NC(=O)C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)n(C)n1 ZINC000377324082 489886077 /nfs/dbraw/zinc/88/60/77/489886077.db2.gz WBWTZYGAOQOOJL-UKRRQHHQSA-N 0 3 363.462 0.633 10 0 FCAEHN CSC1(CNC(=O)CN(C)Cc2nnc(C)n2C)CCN(C)CC1 ZINC000460986716 489891592 /nfs/dbraw/zinc/89/15/92/489891592.db2.gz ZJTUQALDDQVCLJ-UHFFFAOYSA-N 0 3 354.524 0.499 10 0 FCAEHN CC(C)N1C(=O)CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1(C)C ZINC000420050307 489893527 /nfs/dbraw/zinc/89/35/27/489893527.db2.gz YXEDHVPZWVBANW-QWHCGFSZSA-N 0 3 368.478 0.073 10 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/nfs/dbraw/zinc/95/69/10/489956910.db2.gz ZUVDKJODUAGCIK-KBXCAEBGSA-N 0 3 363.414 0.247 10 0 FCAEHN C[C@@H]1CCc2nc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)sc2C1 ZINC000434884592 489965154 /nfs/dbraw/zinc/96/51/54/489965154.db2.gz CLPXAJHTYNSWDI-HWPZZCPQSA-N 0 3 354.476 0.635 10 0 FCAEHN CC(C)OCCS(=O)(=O)NCC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000477478109 489968195 /nfs/dbraw/zinc/96/81/95/489968195.db2.gz RYOARFVPIFBJQZ-HUUCEWRRSA-N 0 3 363.524 0.710 10 0 FCAEHN COCCN1CCC(NC(=O)C(=O)N(C)CCc2ncc(C)s2)CC1 ZINC000477619452 489978337 /nfs/dbraw/zinc/97/83/37/489978337.db2.gz XWWDWYDREZTNPE-UHFFFAOYSA-N 0 3 368.503 0.679 10 0 FCAEHN CN1CN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CC1=O ZINC000462511641 489978843 /nfs/dbraw/zinc/97/88/43/489978843.db2.gz PIABZVYYFZGPDL-QGZVFWFLSA-N 0 3 359.474 0.806 10 0 FCAEHN Cc1ncc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)c(N)n1 ZINC000564183406 491292732 /nfs/dbraw/zinc/29/27/32/491292732.db2.gz ZTWRVRNPLPBDFG-UHFFFAOYSA-N 0 3 355.442 1.124 10 0 FCAEHN 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/nfs/dbraw/zinc/38/42/43/492384243.db2.gz JLFWFWWEULGCGQ-JKSUJKDBSA-N 0 3 365.430 0.222 10 0 FCAEHN CCNC(=O)COc1ccc(CNC(=O)COC2(C)CNC2)cc1OC ZINC000647929285 492384629 /nfs/dbraw/zinc/38/46/29/492384629.db2.gz XOYPPVGTYRVJMJ-UHFFFAOYSA-N 0 3 365.430 0.205 10 0 FCAEHN C[C@H]1CN(C(=O)c2ccc3c(n2)OCCO3)CC[C@@H]1N1CCN(C)CC1 ZINC000654973953 492387293 /nfs/dbraw/zinc/38/72/93/492387293.db2.gz LPEUODMRFRGEDP-HOCLYGCPSA-N 0 3 360.458 0.951 10 0 FCAEHN CN(CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)C1CNC1 ZINC000647969511 492389495 /nfs/dbraw/zinc/38/94/95/492389495.db2.gz RUQPMPYCTREHAM-GFCCVEGCSA-N 0 3 357.501 0.167 10 0 FCAEHN CN1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC000654993908 492389600 /nfs/dbraw/zinc/38/96/00/492389600.db2.gz YMPZKERGMYAITJ-INIZCTEOSA-N 0 3 355.527 0.158 10 0 FCAEHN CCC(C)(C)OC1CN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000627801295 492389962 /nfs/dbraw/zinc/38/99/62/492389962.db2.gz YAQNFJFBGWIERH-UHFFFAOYSA-N 0 3 351.451 0.799 10 0 FCAEHN CC1(OCC(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)CNC1 ZINC000648026929 492394616 /nfs/dbraw/zinc/39/46/16/492394616.db2.gz JMKZAFHCXFLOBB-UHFFFAOYSA-N 0 3 363.433 0.808 10 0 FCAEHN CC1(OCC(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CNC1 ZINC000648098572 492397858 /nfs/dbraw/zinc/39/78/58/492397858.db2.gz RAXBTGNXXPVLJH-UHFFFAOYSA-N 0 3 363.414 0.241 10 0 FCAEHN CS(=O)(=O)N1CCC(CC(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC000655121653 492405731 /nfs/dbraw/zinc/40/57/31/492405731.db2.gz KDPZMNGUNMWVOX-HNNXBMFYSA-N 0 3 361.508 0.011 10 0 FCAEHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000642958133 492406883 /nfs/dbraw/zinc/40/68/83/492406883.db2.gz OLTMBLKDIBQLFY-CWRNSKLLSA-N 0 3 360.458 0.702 10 0 FCAEHN CCN1C(=O)N=NC1C1CCN(C(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000655157116 492407776 /nfs/dbraw/zinc/40/77/76/492407776.db2.gz YZXFHORNYPFMJO-UHFFFAOYSA-N 0 3 361.450 0.782 10 0 FCAEHN CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc1 ZINC000642971561 492409352 /nfs/dbraw/zinc/40/93/52/492409352.db2.gz OQONTNHBNDRIAM-AWEZNQCLSA-N 0 3 350.419 0.258 10 0 FCAEHN CN(C(=O)COC1(C)CNC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000648159553 492410007 /nfs/dbraw/zinc/41/00/07/492410007.db2.gz WYNAQXUILCYTGU-ZDUSSCGKSA-N 0 3 370.247 0.812 10 0 FCAEHN COc1cccc(OCCN2CCN(C(=O)COC3(C)CNC3)CC2)c1 ZINC000648159538 492410206 /nfs/dbraw/zinc/41/02/06/492410206.db2.gz VBMFBZFARFHRRX-UHFFFAOYSA-N 0 3 363.458 0.597 10 0 FCAEHN CO[C@@](C)(CO)CNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000655212060 492414177 /nfs/dbraw/zinc/41/41/77/492414177.db2.gz GBHRSGAGQWNXNA-LJQANCHMSA-N 0 3 373.457 0.691 10 0 FCAEHN CO[C@](C)(CO)CNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000655212059 492414312 /nfs/dbraw/zinc/41/43/12/492414312.db2.gz GBHRSGAGQWNXNA-IBGZPJMESA-N 0 3 373.457 0.691 10 0 FCAEHN COCCc1cc(NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)n(C)n1 ZINC000627906737 492417667 /nfs/dbraw/zinc/41/76/67/492417667.db2.gz FKPZAQLZZLZLKN-OAHLLOKOSA-N 0 3 363.462 0.681 10 0 FCAEHN Cc1oc(S(C)(=O)=O)cc1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000627922387 492419478 /nfs/dbraw/zinc/41/94/78/492419478.db2.gz ZHVFDCTZVILMKY-JTQLQIEISA-N 0 3 357.432 0.184 10 0 FCAEHN C[C@H]1CCn2ncc(C(=O)Nc3cnn(CC(=O)NCCN(C)C)c3)c2C1 ZINC000648299910 492423891 /nfs/dbraw/zinc/42/38/91/492423891.db2.gz FOGOXYWKLSDREH-ZDUSSCGKSA-N 0 3 373.461 0.592 10 0 FCAEHN O=C(Cc1cc[nH]c(=O)c1Br)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655295155 492426775 /nfs/dbraw/zinc/42/67/75/492426775.db2.gz UVQITTFEFZNQDN-WDEREUQCSA-N 0 3 356.220 0.370 10 0 FCAEHN C[C@H](N)[C@H]1CN(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)CCO1 ZINC000621851131 492427082 /nfs/dbraw/zinc/42/70/82/492427082.db2.gz MCWNUOZUPPDLDS-TUKIKUTGSA-N 0 3 353.444 0.414 10 0 FCAEHN CN1CCN(Cc2cccc(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)c2)CC1 ZINC000655297202 492428210 /nfs/dbraw/zinc/42/82/10/492428210.db2.gz GHDWYSOFZALTCN-RBUKOAKNSA-N 0 3 358.486 0.325 10 0 FCAEHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655297198 492428669 /nfs/dbraw/zinc/42/86/69/492428669.db2.gz GGIHDJLAVLVPJF-IXDOHACOSA-N 0 3 366.506 0.732 10 0 FCAEHN O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655298823 492429369 /nfs/dbraw/zinc/42/93/69/492429369.db2.gz SZQANPCXTDTILE-ZNMIVQPWSA-N 0 3 353.488 0.356 10 0 FCAEHN COc1ccccc1N1C[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655299150 492429522 /nfs/dbraw/zinc/42/95/22/492429522.db2.gz GHZBOTAPKNBGRB-SOUVJXGZSA-N 0 3 359.426 0.326 10 0 FCAEHN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655299026 492429679 /nfs/dbraw/zinc/42/96/79/492429679.db2.gz JNZLKYLADPWWAC-BBWFWOEESA-N 0 3 374.420 0.182 10 0 FCAEHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655299031 492430126 /nfs/dbraw/zinc/43/01/26/492430126.db2.gz JNZLKYLADPWWAC-GVDBMIGSSA-N 0 3 374.420 0.182 10 0 FCAEHN O=C([C@@H]1CCCN1c1ncnc2ccccc21)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655300020 492430872 /nfs/dbraw/zinc/43/08/72/492430872.db2.gz WBZCPSWAYGYCKQ-DAYGRLMNSA-N 0 3 367.453 0.876 10 0 FCAEHN Cc1ccc(CN2C[C@@H](C(=O)N3CCN4C[C@H](O)C[C@H]4C3)CC2=O)cc1 ZINC000655300299 492431241 /nfs/dbraw/zinc/43/12/41/492431241.db2.gz ABGLGQRXOKJBAG-OKZBNKHCSA-N 0 3 357.454 0.621 10 0 FCAEHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@@H](CN)C(F)(F)F)c1 ZINC000655506686 492448864 /nfs/dbraw/zinc/44/88/64/492448864.db2.gz VWPNMKFTKVIRGQ-LBPRGKRZSA-N 0 3 367.393 0.978 10 0 FCAEHN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[C@H](CN)C(F)(F)F ZINC000655508863 492449907 /nfs/dbraw/zinc/44/99/07/492449907.db2.gz COUJITXRDCDIFM-NWDGAFQWSA-N 0 3 360.315 0.910 10 0 FCAEHN COc1cccc(C[C@H](C(=O)N[C@@H](CN)C(F)(F)F)n2nnnc2C)c1 ZINC000655510970 492449935 /nfs/dbraw/zinc/44/99/35/492449935.db2.gz WZQMRADOMBIPTP-OLZOCXBDSA-N 0 3 372.351 0.780 10 0 FCAEHN Cc1cc(C(=O)N(CCN(C)C)CC(=O)N(C)C)c(C)n1-c1cnccn1 ZINC000628081999 492457783 /nfs/dbraw/zinc/45/77/83/492457783.db2.gz IATIPGIKEOUNDF-UHFFFAOYSA-N 0 3 372.473 0.976 10 0 FCAEHN CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H](CN)C(F)(F)F)CC1 ZINC000655912446 492486342 /nfs/dbraw/zinc/48/63/42/492486342.db2.gz NXCFGKDAFCCYQF-WDEREUQCSA-N 0 3 353.389 0.118 10 0 FCAEHN CS(=O)(=O)Nc1ccc(CNC(=O)N[C@@H](CN)C(F)(F)F)cc1 ZINC000655910727 492486821 /nfs/dbraw/zinc/48/68/21/492486821.db2.gz BEPDHSVOQYIBFF-JTQLQIEISA-N 0 3 354.354 0.747 10 0 FCAEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc2ccccc2c(=O)n1C ZINC000649070046 492487604 /nfs/dbraw/zinc/48/76/04/492487604.db2.gz GLJCQPINYDKBOW-CYBMUJFWSA-N 0 3 356.426 0.731 10 0 FCAEHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N[C@H](CN)C(F)(F)F)c1 ZINC000655915241 492487598 /nfs/dbraw/zinc/48/75/98/492487598.db2.gz LUXRHCRAGRJCLO-LDYMZIIASA-N 0 3 368.381 0.845 10 0 FCAEHN CCCNC(=O)CN1CCC(NC(=O)N[C@H](CN)C(F)(F)F)CC1 ZINC000655914427 492487644 /nfs/dbraw/zinc/48/76/44/492487644.db2.gz ZCRIQTDNGQAPOO-LLVKDONJSA-N 0 3 353.389 0.166 10 0 FCAEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000649071659 492488640 /nfs/dbraw/zinc/48/86/40/492488640.db2.gz OVJMUDKRLSYSJA-LBPRGKRZSA-N 0 3 359.434 0.013 10 0 FCAEHN COc1cc(NC(=O)CNC(=O)N[C@@H](CN)C(F)(F)F)cc(OC)c1 ZINC000655919157 492488793 /nfs/dbraw/zinc/48/87/93/492488793.db2.gz FSUQLZWZDXLBKO-NSHDSACASA-N 0 3 364.324 0.831 10 0 FCAEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CCCN1c1nccs1 ZINC000649071433 492489142 /nfs/dbraw/zinc/48/91/42/492489142.db2.gz KNZAERYYSXFKJP-OLZOCXBDSA-N 0 3 351.476 0.690 10 0 FCAEHN [NH3+]C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1cccs1)C(F)(F)F ZINC000655922281 492489412 /nfs/dbraw/zinc/48/94/12/492489412.db2.gz SWXCZMXCHWVGBI-SSDOTTSWSA-N 0 3 360.383 0.215 10 0 FCAEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccnc(OCC(F)F)c1 ZINC000649073220 492489738 /nfs/dbraw/zinc/48/97/38/492489738.db2.gz QWBQWVDSWZINPO-NSHDSACASA-N 0 3 356.373 0.918 10 0 FCAEHN CCCC[C@H](NC(=O)NCC)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649072299 492489985 /nfs/dbraw/zinc/48/99/85/492489985.db2.gz BYACMMMHTYQXLZ-KGLIPLIRSA-N 0 3 355.483 0.443 10 0 FCAEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCCNC(=O)c1cccnc1 ZINC000649073380 492490082 /nfs/dbraw/zinc/49/00/82/492490082.db2.gz VTNXYDYRIUASMO-CQSZACIVSA-N 0 3 361.446 0.170 10 0 FCAEHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000622812604 492490226 /nfs/dbraw/zinc/49/02/26/492490226.db2.gz YSIAPSZQAGKOJG-LFVTVUPYSA-N 0 3 360.458 0.779 10 0 FCAEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000649074416 492490814 /nfs/dbraw/zinc/49/08/14/492490814.db2.gz IKKKUTCVUQWEMH-VIFPVBQESA-N 0 3 371.235 0.742 10 0 FCAEHN C[C@H](C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)n1nnnc1C(C)(C)C ZINC000649073468 492490972 /nfs/dbraw/zinc/49/09/72/492490972.db2.gz YDBVWOGZCDJPMF-VXGBXAGGSA-N 0 3 351.455 0.110 10 0 FCAEHN C[C@H]1CN(C(=O)N[C@@H](CN)C(F)(F)F)CCN1C(=O)c1cscn1 ZINC000655931049 492491572 /nfs/dbraw/zinc/49/15/72/492491572.db2.gz GKXBUJQMCJBPOO-WPRPVWTQSA-N 0 3 365.381 0.889 10 0 FCAEHN Cc1ccc(CCC(=O)NCC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1 ZINC000649076410 492491681 /nfs/dbraw/zinc/49/16/81/492491681.db2.gz XOEZPBNLIMZPIS-MRXNPFEDSA-N 0 3 374.485 0.622 10 0 FCAEHN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000649075783 492492453 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/nfs/dbraw/zinc/48/80/58/1211488058.db2.gz SGERKZMIWPFMGW-UHFFFAOYSA-N 0 3 368.478 0.525 10 0 FCAEHN Cn1nccc1C(c1ccnn1C)N1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000925030882 1211489016 /nfs/dbraw/zinc/48/90/16/1211489016.db2.gz KYGZVUQKVZGSKZ-ZDUSSCGKSA-N 0 3 371.445 0.649 10 0 FCAEHN CN(C)C[C@@H]1NC(=O)N(C[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)C1=O ZINC000925245074 1211493993 /nfs/dbraw/zinc/49/39/93/1211493993.db2.gz BESLHBSLGFMXJQ-SJCJKPOMSA-N 0 3 370.450 0.494 10 0 FCAEHN C[C@@H]1[C@H](NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CCN1C ZINC000925333998 1211496723 /nfs/dbraw/zinc/49/67/23/1211496723.db2.gz ZBZAXDXRFQKBFV-KBAYOESNSA-N 0 3 374.485 0.848 10 0 FCAEHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC1(C2(O)CCOCC2)CC1 ZINC000925658848 1211506254 /nfs/dbraw/zinc/50/62/54/1211506254.db2.gz WCONQLSKCIPKOT-INIZCTEOSA-N 0 3 368.522 0.633 10 0 FCAEHN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926281998 1211525651 /nfs/dbraw/zinc/52/56/51/1211525651.db2.gz SWDZWDYYMORYIL-MRXNPFEDSA-N 0 3 358.486 0.835 10 0 FCAEHN O=C(C(=O)N1CCNCCNCC1)N(Cc1ccccc1)CC1CCC1 ZINC000926321141 1211530392 /nfs/dbraw/zinc/53/03/92/1211530392.db2.gz OWMXDKPXUGXBJS-UHFFFAOYSA-N 0 3 358.486 0.837 10 0 FCAEHN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926344693 1211535232 /nfs/dbraw/zinc/53/52/32/1211535232.db2.gz QZAJZUSDMKICLM-RHSMWYFYSA-N 0 3 362.449 0.757 10 0 FCAEHN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926350784 1211537089 /nfs/dbraw/zinc/53/70/89/1211537089.db2.gz GWOCZDMSEVZQBI-UHFFFAOYSA-N 0 3 370.457 0.057 10 0 FCAEHN CCCOc1ccc2c(c1)CCN(C(=O)C(=O)N1CCNCCNCC1)C2 ZINC000926363514 1211539946 /nfs/dbraw/zinc/53/99/46/1211539946.db2.gz ZNNRWRYKKIWZHH-UHFFFAOYSA-N 0 3 374.485 0.382 10 0 FCAEHN COCc1ccc([C@H]2CCCN2C(=O)C(=O)N2CCNCCNCC2)o1 ZINC000926370940 1211540972 /nfs/dbraw/zinc/54/09/72/1211540972.db2.gz KTFJJKSGJROZJY-OAHLLOKOSA-N 0 3 364.446 0.111 10 0 FCAEHN CC(C)(C)OC(=O)NCCCOCCN[C@H]1C(=O)NCC12CCOCC2 ZINC000926761797 1211554596 /nfs/dbraw/zinc/55/45/96/1211554596.db2.gz 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/nfs/dbraw/zinc/58/99/39/1211589939.db2.gz ZTQXQEYETXGYBO-UHFFFAOYSA-N 0 3 369.425 0.834 10 0 FCAEHN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3CCN(C)[C@@H]3C)C2=O)cc1 ZINC000928456908 1211602820 /nfs/dbraw/zinc/60/28/20/1211602820.db2.gz WVEOHMKTIJMKEP-WTANOLMUSA-N 0 3 358.442 0.971 10 0 FCAEHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCN(C)[C@H]2C)C1=O ZINC000928446002 1211602912 /nfs/dbraw/zinc/60/29/12/1211602912.db2.gz UXHAIOCQSOSOGP-CFZJUORYSA-N 0 3 374.441 0.671 10 0 FCAEHN C[C@H]1[C@@H](NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CCN1C ZINC000928448210 1211603013 /nfs/dbraw/zinc/60/30/13/1211603013.db2.gz BKARGOVRPAQTLD-HOCLYGCPSA-N 0 3 356.426 0.267 10 0 FCAEHN CC1CCN(CCNC(=O)C(=O)N2CCC(c3ccn(C)n3)CC2)CC1 ZINC000929401924 1211635837 /nfs/dbraw/zinc/63/58/37/1211635837.db2.gz LIGSENRQQPQDFO-UHFFFAOYSA-N 0 3 361.490 0.974 10 0 FCAEHN CC1CCN(CCNC(=O)C(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)CC1 ZINC000929401877 1211636217 /nfs/dbraw/zinc/63/62/17/1211636217.db2.gz KVFRASAXKRUOPI-DLBZAZTESA-N 0 3 367.490 0.489 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/nfs/dbraw/zinc/66/86/86/1211668686.db2.gz KJQSOWQTDIHOSX-KFWWJZLASA-N 0 3 359.430 0.023 10 0 FCAEHN CC1(C)CN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)CCN1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929999101 1211681194 /nfs/dbraw/zinc/68/11/94/1211681194.db2.gz HWCKNGJUBIVIRD-YLXRRXKZSA-N 0 3 366.502 0.990 10 0 FCAEHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1(C2(O)CCOCC2)CC1 ZINC000930206169 1211696036 /nfs/dbraw/zinc/69/60/36/1211696036.db2.gz KXHUKOFKDMNGCM-HNNXBMFYSA-N 0 3 367.490 0.415 10 0 FCAEHN COC(=O)[C@H]1CN(C)CCN(C[C@@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC000930712864 1211719106 /nfs/dbraw/zinc/71/91/06/1211719106.db2.gz AFTBFUUTFWQWOI-JKSUJKDBSA-N 0 3 361.442 0.944 10 0 FCAEHN C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000930908879 1211728117 /nfs/dbraw/zinc/72/81/17/1211728117.db2.gz MGZAREQMQXOEPL-INMHGKMJSA-N 0 3 362.474 0.898 10 0 FCAEHN CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000931005856 1211734756 /nfs/dbraw/zinc/73/47/56/1211734756.db2.gz 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NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2CCCN(C3CC3)C2=O)CC1 ZINC000931539944 1211759992 /nfs/dbraw/zinc/75/99/92/1211759992.db2.gz ZFIVECSGYWGDPQ-JKSUJKDBSA-N 0 3 362.474 0.328 10 0 FCAEHN COC(=O)c1nn(-c2ccccc2)cc1OC[C@H](O)CN1C[C@@H]2C[C@]2(O)C1 ZINC000931696924 1211771343 /nfs/dbraw/zinc/77/13/43/1211771343.db2.gz CUAMQUAWTFOHJG-OHNRDTAOSA-N 0 3 373.409 0.465 10 0 FCAEHN COC(=O)c1nn(-c2ccccc2)cc1OC[C@H](O)CN1C[C@H]2C[C@@]2(O)C1 ZINC000931696926 1211771585 /nfs/dbraw/zinc/77/15/85/1211771585.db2.gz CUAMQUAWTFOHJG-ZXYWRSMDSA-N 0 3 373.409 0.465 10 0 FCAEHN CC(=O)c1cccc(OC[C@@H](O)CN[C@@H]2C(=O)NCC23CCOCC3)c1 ZINC000933040704 1211834013 /nfs/dbraw/zinc/83/40/13/1211834013.db2.gz SJKGSVZOSDGYSH-DOTOQJQBSA-N 0 3 362.426 0.514 10 0 FCAEHN CCCNC(=O)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)N(C)C)C2 ZINC001490837730 1211880104 /nfs/dbraw/zinc/88/01/04/1211880104.db2.gz GOAZMGZLCYMPNO-WCVJEAGWSA-N 0 3 366.506 0.881 10 0 FCAEHN CCCN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2n[nH]nc2n1 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357.458 0.765 10 0 FCAEHN COCCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000644822704 492810401 /nfs/dbraw/zinc/81/04/01/492810401.db2.gz LUPHKYFLIDZEOM-ZBFHGGJFSA-N 0 3 367.471 0.387 10 0 FCAEHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000625522431 492810556 /nfs/dbraw/zinc/81/05/56/492810556.db2.gz UISDXUGGTBRUHD-HNAYVOBHSA-N 0 3 363.458 0.791 10 0 FCAEHN CCc1ccncc1NC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000651711040 492810890 /nfs/dbraw/zinc/81/08/90/492810890.db2.gz XMZBIIFHJXWUNM-HNNXBMFYSA-N 0 3 359.474 0.867 10 0 FCAEHN CN1CCC[C@H](N2CCN(C(=O)c3cc(N4CCOCC4)ncn3)CC2)C1 ZINC000631313289 492811052 /nfs/dbraw/zinc/81/10/52/492811052.db2.gz PSSFKJPWUCBEQF-INIZCTEOSA-N 0 3 374.489 0.165 10 0 FCAEHN CN1C[C@H]2CCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)[C@H]2C1 ZINC000644824792 492811296 /nfs/dbraw/zinc/81/12/96/492811296.db2.gz ZUUIDVQLIQAHDG-SJORKVTESA-N 0 3 368.437 0.221 10 0 FCAEHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc4c(c3)CS(=O)(=O)C4)C2)C1 ZINC000651715381 492811812 /nfs/dbraw/zinc/81/18/12/492811812.db2.gz LFCNEIHCWLXKFH-MRXNPFEDSA-N 0 3 370.496 0.831 10 0 FCAEHN COC1(CO)CCN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000625530005 492812228 /nfs/dbraw/zinc/81/22/28/492812228.db2.gz DBRVLFQJPAGLKS-HNNXBMFYSA-N 0 3 353.463 0.119 10 0 FCAEHN CCN(CCCO)C(=O)C(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000625531906 492813139 /nfs/dbraw/zinc/81/31/39/492813139.db2.gz FKOWEDHIPMENEH-UHFFFAOYSA-N 0 3 355.479 0.321 10 0 FCAEHN CC(C)C[C@H](Nc1cc(=O)n(C)c(=O)n1C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000631345683 492813889 /nfs/dbraw/zinc/81/38/89/492813889.db2.gz QUZBRVVOGXNEQV-KBPBESRZSA-N 0 3 365.478 0.073 10 0 FCAEHN COC[C@@H](CC1CCOCC1)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000657918446 492814321 /nfs/dbraw/zinc/81/43/21/492814321.db2.gz CPMDYMFITSLABC-ZWKOTPCHSA-N 0 3 369.506 0.341 10 0 FCAEHN COCCN(C(=O)C(=O)NC[C@H]1CCN1C1CCCC1)[C@@H]1CCOC1 ZINC000625566089 492821792 /nfs/dbraw/zinc/82/17/92/492821792.db2.gz DRVMLQKHNYVYRM-HZPDHXFCSA-N 0 3 353.463 0.383 10 0 FCAEHN C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000625570841 492823398 /nfs/dbraw/zinc/82/33/98/492823398.db2.gz PXGVOXHMWAVQEF-RDJZCZTQSA-N 0 3 366.506 0.299 10 0 FCAEHN CN(C)CCN1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1=O ZINC000651792907 492824016 /nfs/dbraw/zinc/82/40/16/492824016.db2.gz NEIFENSICNDTDN-UHFFFAOYSA-N 0 3 363.842 0.874 10 0 FCAEHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)C1(N2CCOCC2)CC1 ZINC000631562845 492824062 /nfs/dbraw/zinc/82/40/62/492824062.db2.gz JBJBUQMHBFSVGW-LJQANCHMSA-N 0 3 359.470 0.604 10 0 FCAEHN COc1cc(S(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)ccc1F ZINC000651793305 492824415 /nfs/dbraw/zinc/82/44/15/492824415.db2.gz GSSNMBREURMDJE-UHFFFAOYSA-N 0 3 359.423 0.229 10 0 FCAEHN CN(C)CCN1CCN(S(=O)(=O)CCc2cccc(Cl)c2)CC1=O ZINC000651793455 492824537 /nfs/dbraw/zinc/82/45/37/492824537.db2.gz QSVWVXNJJCDTTF-UHFFFAOYSA-N 0 3 373.906 0.918 10 0 FCAEHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000657983401 492824969 /nfs/dbraw/zinc/82/49/69/492824969.db2.gz 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ZINC000658184749 492847455 /nfs/dbraw/zinc/84/74/55/492847455.db2.gz LOMCYQITGHZDRN-DOTOQJQBSA-N 0 3 363.458 0.897 10 0 FCAEHN CCN1CCC(n2nccc2NC(=O)C(=O)N[C@@H](CO)C2CCC2)CC1 ZINC000658246011 492854034 /nfs/dbraw/zinc/85/40/34/492854034.db2.gz NZVKRBDXIGSFHL-HNNXBMFYSA-N 0 3 363.462 0.756 10 0 FCAEHN CN(C)CCN1CCN(C(=O)C(=O)Nc2cc(F)ccc2Cl)CC1=O ZINC000651958465 492854614 /nfs/dbraw/zinc/85/46/14/492854614.db2.gz ASTVRSQOIYPHPN-UHFFFAOYSA-N 0 3 370.812 0.650 10 0 FCAEHN COCc1ccccc1NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651958548 492854744 /nfs/dbraw/zinc/85/47/44/492854744.db2.gz FNRSENWTWKTVJB-UHFFFAOYSA-N 0 3 362.430 0.004 10 0 FCAEHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)CCOC(C)(C)C)CC1 ZINC000631813552 492858046 /nfs/dbraw/zinc/85/80/46/492858046.db2.gz QCDJAFNGUNPUTG-UHFFFAOYSA-N 0 3 363.524 0.521 10 0 FCAEHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CCC3(COC3)C2)CC1 ZINC000625694662 492863222 /nfs/dbraw/zinc/86/32/22/492863222.db2.gz LXWDTFQCKIRNFU-UHFFFAOYSA-N 0 3 365.474 0.339 10 0 FCAEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc2c(c1)OCCO2 ZINC000645098982 492868301 /nfs/dbraw/zinc/86/83/01/492868301.db2.gz UXPLKUKUWMMYAJ-CYBMUJFWSA-N 0 3 362.430 0.719 10 0 FCAEHN COc1ccnc(OC)c1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000631887563 492870267 /nfs/dbraw/zinc/87/02/67/492870267.db2.gz OVKNEZCTQLUZSU-ZDUSSCGKSA-N 0 3 362.430 0.477 10 0 FCAEHN CC(C)C[C@@]1(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCNC1=O ZINC000631887310 492870328 /nfs/dbraw/zinc/87/03/28/492870328.db2.gz MVTPKIOYVWVMPO-KXBFYZLASA-N 0 3 364.490 0.304 10 0 FCAEHN CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000658408201 492871956 /nfs/dbraw/zinc/87/19/56/492871956.db2.gz NUYXRCBTPNAIQY-CHWSQXEVSA-N 0 3 350.437 0.291 10 0 FCAEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCOc1cccc(F)c1 ZINC000645138921 492872043 /nfs/dbraw/zinc/87/20/43/492872043.db2.gz RGZZTBSIOHBAAZ-ZDUSSCGKSA-N 0 3 352.410 0.966 10 0 FCAEHN NC(=O)[C@@H](CNS(=O)(=O)CCCN1CCCC1)Cc1ccc(F)cc1 ZINC000631902108 492873780 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C[C@@H](CNS(=O)(=O)C[C@H]1CNCCO1)N1CCc2ccccc2C1 ZINC000631916516 492881279 /nfs/dbraw/zinc/88/12/79/492881279.db2.gz XUDUDZGMBDEWKN-WMLDXEAASA-N 0 3 353.488 0.341 10 0 FCAEHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000645263134 492884353 /nfs/dbraw/zinc/88/43/53/492884353.db2.gz KZMJWOAUANBYEK-NWDGAFQWSA-N 0 3 365.400 0.384 10 0 FCAEHN C[C@@H]1C[C@H](NS(=O)(=O)C[C@@H]2CNCCO2)C(=O)N1c1ccccc1 ZINC000631924264 492886632 /nfs/dbraw/zinc/88/66/32/492886632.db2.gz QRKJUVAXCBXNFL-SNPRPXQTSA-N 0 3 353.444 0.088 10 0 FCAEHN CCC(O)(CC)CN(C)C(=O)C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000625786990 492887279 /nfs/dbraw/zinc/88/72/79/492887279.db2.gz NFGJJJCWXLLCCF-UHFFFAOYSA-N 0 3 355.479 0.319 10 0 FCAEHN O=C(NCCO[C@@H]1CC1(F)F)C(=O)N1CCN(c2ccncc2)CC1 ZINC000658440946 492891665 /nfs/dbraw/zinc/89/16/65/492891665.db2.gz HMGMKMFIUPOJPS-CYBMUJFWSA-N 0 3 354.357 0.271 10 0 FCAEHN C[C@]1(C2CC2)CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CCO1 ZINC000658441766 492892739 /nfs/dbraw/zinc/89/27/39/492892739.db2.gz MXBHUOJHWSYWFZ-LJQANCHMSA-N 0 3 358.442 0.758 10 0 FCAEHN CN(C)C(=O)CN1CCN(C(=O)CN[C@]2(CO)CCCC(C)(C)C2)CC1 ZINC000625832084 492892923 /nfs/dbraw/zinc/89/29/23/492892923.db2.gz FNDBMPPPKJUXPS-LJQANCHMSA-N 0 3 368.522 0.140 10 0 FCAEHN CN(CCCNC(=O)CN[C@]1(CO)CCCC(C)(C)C1)S(C)(=O)=O ZINC000625835964 492893058 /nfs/dbraw/zinc/89/30/58/492893058.db2.gz ONMRXLWURFPVMT-MRXNPFEDSA-N 0 3 363.524 0.305 10 0 FCAEHN CCN1C[C@@H](S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC1=O ZINC000631945017 492895159 /nfs/dbraw/zinc/89/51/59/492895159.db2.gz NBDDFIIHHAOXEC-SOUVJXGZSA-N 0 3 355.435 0.503 10 0 FCAEHN C[C@H]1C(=O)N(C)CN1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000645343751 492895532 /nfs/dbraw/zinc/89/55/32/492895532.db2.gz ABEWXMYJXGHJKZ-AWEZNQCLSA-N 0 3 360.458 0.973 10 0 FCAEHN CN1CCN(CCCS(=O)(=O)N2CCCc3cccc(CN)c32)CC1 ZINC000631954373 492897857 /nfs/dbraw/zinc/89/78/57/492897857.db2.gz JUJWGKFYZWJFDG-UHFFFAOYSA-N 0 3 366.531 0.865 10 0 FCAEHN CC[C@H](CNS(C)(=O)=O)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625940230 492902355 /nfs/dbraw/zinc/90/23/55/492902355.db2.gz MFNPQTMEIYNYJV-GFCCVEGCSA-N 0 3 356.448 0.618 10 0 FCAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000645430534 492905364 /nfs/dbraw/zinc/90/53/64/492905364.db2.gz UQBJYQFKFHEGSG-GDBMZVCRSA-N 0 3 368.441 0.960 10 0 FCAEHN CCN(C(=O)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1)[C@@H]1CCN(CC)C1 ZINC000658467430 492906113 /nfs/dbraw/zinc/90/61/13/492906113.db2.gz LXQFXAZKNSAAHM-PBHICJAKSA-N 0 3 374.441 0.793 10 0 FCAEHN CCN(C(=O)C(=O)Nc1cccc(-n2nnnc2C)c1)[C@H]1CCN(CC)C1 ZINC000658467016 492906158 /nfs/dbraw/zinc/90/61/58/492906158.db2.gz LRBWOQKQZZPSFR-INIZCTEOSA-N 0 3 371.445 0.852 10 0 FCAEHN CCN(C(=O)C(=O)Nc1cnn(-c2ncccn2)c1)[C@@H]1CCN(CC)C1 ZINC000658467393 492906420 /nfs/dbraw/zinc/90/64/20/492906420.db2.gz DXAYHHGZKFHYAV-CQSZACIVSA-N 0 3 357.418 0.544 10 0 FCAEHN CCN(C(=O)C(=O)Nc1cccc2c1OCC(=O)N2)[C@@H]1CCN(CC)C1 ZINC000658467780 492906599 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CC(C)NS(=O)(=O)NCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000277589916 212377243 /nfs/dbraw/zinc/37/72/43/212377243.db2.gz PAPVIQHRFOHZGO-UHFFFAOYSA-N 0 3 368.503 0.845 10 0 FCAEHN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN3CCC2CC3)C1=O ZINC000188654219 209234448 /nfs/dbraw/zinc/23/44/48/209234448.db2.gz IRRJAXPGPDXXGM-LJQANCHMSA-N 0 3 374.416 0.899 10 0 FCAEHN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc2c(c1)CNC2 ZINC000188661656 209234292 /nfs/dbraw/zinc/23/42/92/209234292.db2.gz VPPDQNHJTRRYEU-UHFFFAOYSA-N 0 3 350.378 0.609 10 0 FCAEHN CN(C)CCN1CCN(C(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1 ZINC000277235729 212342593 /nfs/dbraw/zinc/34/25/93/212342593.db2.gz XZWBOELYTXJCCF-HXUWFJFHSA-N 0 3 374.485 0.099 10 0 FCAEHN COCC(=O)NC1CN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000188322218 209228453 /nfs/dbraw/zinc/22/84/53/209228453.db2.gz FYPHVYYWZUIWKU-UHFFFAOYSA-N 0 3 374.485 0.850 10 0 FCAEHN CNS(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)nc1 ZINC000276847027 212296758 /nfs/dbraw/zinc/29/67/58/212296758.db2.gz 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CN(C)c1ccncc1C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000183497278 209147925 /nfs/dbraw/zinc/14/79/25/209147925.db2.gz JQKPLQAOBNJTME-UHFFFAOYSA-N 0 3 369.473 0.880 10 0 FCAEHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCCC[C@@H]2c2nnc[nH]2)C1 ZINC000182760929 209136797 /nfs/dbraw/zinc/13/67/97/209136797.db2.gz AWKNJFDSFFBLBV-HZPDHXFCSA-N 0 3 364.494 0.805 10 0 FCAEHN CN(C)CCN1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000375315227 217247965 /nfs/dbraw/zinc/24/79/65/217247965.db2.gz AZRONHRKXXIPEF-MRXNPFEDSA-N 0 3 365.499 0.653 10 0 FCAEHN CN(C)C[C@@H]1CN(C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)CCO1 ZINC000182244392 209129398 /nfs/dbraw/zinc/12/93/98/209129398.db2.gz QOJGVKPZEHLOKZ-WBVHZDCISA-N 0 3 356.488 0.560 10 0 FCAEHN CN(C[C@H](O)C[C@@]1(O)CCOC1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000931619449 674123394 /nfs/dbraw/zinc/12/33/94/674123394.db2.gz YLBNOCGCHPSNCW-RYRKJORJSA-N 0 3 350.415 0.846 10 0 FCAEHN CCOC(=O)[C@@H]1CN(C[C@H](O)C2(O)CCOCC2)C[C@H]1C(F)(F)F ZINC000931621742 674123464 /nfs/dbraw/zinc/12/34/64/674123464.db2.gz JJJYQQWMVOHVEN-UTUOFQBUSA-N 0 3 355.353 0.562 10 0 FCAEHN COCCN1CCC[C@H]1CNC(=O)NC1CCN(c2cccnn2)CC1 ZINC000375438975 217264191 /nfs/dbraw/zinc/26/41/91/217264191.db2.gz UFWKRAODAQXLLK-INIZCTEOSA-N 0 3 362.478 0.855 10 0 FCAEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181501246 209114390 /nfs/dbraw/zinc/11/43/90/209114390.db2.gz NUPWAXCZXOUGEU-OAHLLOKOSA-N 0 3 358.446 0.612 10 0 FCAEHN Cc1sc2ncc(C(=O)NCC3CCN(CCO)CC3)c(=O)n2c1C ZINC000181364380 209112923 /nfs/dbraw/zinc/11/29/23/209112923.db2.gz CVIVOOPQDIALSG-UHFFFAOYSA-N 0 3 364.471 0.807 10 0 FCAEHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)CC1=O ZINC000375602504 217290251 /nfs/dbraw/zinc/29/02/51/217290251.db2.gz HOUWSBJDIFVSSN-KGLIPLIRSA-N 0 3 361.446 0.673 10 0 FCAEHN COc1cccc(COC[C@@H](O)CN2CCC(OC)(OC)[C@H](O)C2)c1 ZINC000931642277 674125673 /nfs/dbraw/zinc/12/56/73/674125673.db2.gz OVCJDKBFIMHDAP-DOTOQJQBSA-N 0 3 355.431 0.628 10 0 FCAEHN 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Cc1cnn(C)c1C(=O)N1CC[C@@H](C)C[C@H]1CNCCS(C)(=O)=O ZINC001489045424 1208602882 /nfs/dbraw/zinc/60/28/82/1208602882.db2.gz RPVPQPKOFNDWGC-OCCSQVGLSA-N 0 3 356.492 0.603 10 0 FCAEHN CCCCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)Cn1cnnn1 ZINC001489024099 1208611232 /nfs/dbraw/zinc/61/12/32/1208611232.db2.gz HQFREYJYBYUFIL-KFWWJZLASA-N 0 3 365.482 0.195 10 0 FCAEHN Cn1nccc1CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC001489078005 1208620337 /nfs/dbraw/zinc/62/03/37/1208620337.db2.gz KYECFZBYSJSQML-JKSUJKDBSA-N 0 3 370.457 0.910 10 0 FCAEHN COCCN(CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001489170085 1208636914 /nfs/dbraw/zinc/63/69/14/1208636914.db2.gz VKVRMEOAHLFFRY-YESZJQIVSA-N 0 3 350.463 0.455 10 0 FCAEHN CC[C@@H]1[C@@H](NC(=O)C2(C(=O)NC)CC2)CCN1CCn1nc(C)cc1C ZINC001489136181 1208640174 /nfs/dbraw/zinc/64/01/74/1208640174.db2.gz LIAZLFFPWJFBJZ-JKSUJKDBSA-N 0 3 361.490 0.995 10 0 FCAEHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCCN(C)C2=O)CCN1CCOCCO ZINC001489142539 1208644249 /nfs/dbraw/zinc/64/42/49/1208644249.db2.gz YANSSBPEOOPFIE-OWCLPIDISA-N 0 3 355.479 0.223 10 0 FCAEHN CC(C)NC(=O)NCCN1CC[C@@H]2CN(C(=O)c3cnon3)C[C@@H]2C1 ZINC001489202695 1208665255 /nfs/dbraw/zinc/66/52/55/1208665255.db2.gz KXUBLHIRCWCYGO-OLZOCXBDSA-N 0 3 350.423 0.171 10 0 FCAEHN COCCOCC(=O)N1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001489218296 1208680014 /nfs/dbraw/zinc/68/00/14/1208680014.db2.gz GOGWWCQXDHMKAS-LSDHHAIUSA-N 0 3 353.463 0.193 10 0 FCAEHN CCN(CC)CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CCCC(=O)N3)C[C@H]21 ZINC001489244603 1208684036 /nfs/dbraw/zinc/68/40/36/1208684036.db2.gz TYIAAKVBMBMPBL-ARFHVFGLSA-N 0 3 364.490 0.446 10 0 FCAEHN C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCN1CCOC[C@@H]1CCCO1 ZINC001489260194 1208699980 /nfs/dbraw/zinc/69/99/80/1208699980.db2.gz BGJQSILNEVLAOC-PMPSAXMXSA-N 0 3 356.463 0.914 10 0 FCAEHN COCCOC[C@H](O)CN1CC[C@H](NC(=O)c2[nH]c(C)nc2C)[C@H]1C ZINC001489290630 1208720654 /nfs/dbraw/zinc/72/06/54/1208720654.db2.gz KJUURBJAZGUORO-YUELXQCFSA-N 0 3 354.451 0.243 10 0 FCAEHN C[C@@H]1[C@@H](NC(=O)Cc2cnc[nH]2)CCN1CC(=O)NC(C1CC1)C1CC1 ZINC001489295143 1208724902 /nfs/dbraw/zinc/72/49/02/1208724902.db2.gz ZJUVZDZXTPHXQD-WBMJQRKESA-N 0 3 359.474 0.836 10 0 FCAEHN C[C@@H]1[C@@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)CCN1CCn1cccn1 ZINC001489300670 1208733458 /nfs/dbraw/zinc/73/34/58/1208733458.db2.gz MAXRRMNHVDFBKA-RDBSUJKOSA-N 0 3 350.467 0.545 10 0 FCAEHN CCn1ncc(C(=O)N[C@H]2CCN(C[C@@H](O)COC)[C@@H]2C)c1C1CC1 ZINC001489301396 1208734875 /nfs/dbraw/zinc/73/48/75/1208734875.db2.gz SQZKUXIUVLPMDV-XPKDYRNWSA-N 0 3 350.463 0.980 10 0 FCAEHN CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NCC(F)(F)F)[C@@H]1C)N(C)C ZINC001489304282 1208737036 /nfs/dbraw/zinc/73/70/36/1208737036.db2.gz RDRMTNPNQMYVSS-GRYCIOLGSA-N 0 3 352.401 0.584 10 0 FCAEHN CCCN(C)CC(=O)N[C@H]1CCN(Cc2nnc3n2CCOC3)[C@@H]1C ZINC001489304958 1208738131 /nfs/dbraw/zinc/73/81/31/1208738131.db2.gz HKCNLFAXKLSYPE-KGLIPLIRSA-N 0 3 350.467 0.229 10 0 FCAEHN Cc1nccn1CC(=O)N[C@H]1CCN(C[C@@H](O)COCC(C)C)[C@@H]1C ZINC001489309495 1208745029 /nfs/dbraw/zinc/74/50/29/1208745029.db2.gz REERSYKKMYQOFR-OIISXLGYSA-N 0 3 352.479 0.804 10 0 FCAEHN CCOCCNC(=O)CN1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@H]1C ZINC001489272549 1208750075 /nfs/dbraw/zinc/75/00/75/1208750075.db2.gz VWKLOGLKCLXSPC-CABCVRRESA-N 0 3 354.495 0.202 10 0 FCAEHN CC(C)OCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001489342062 1208774767 /nfs/dbraw/zinc/77/47/67/1208774767.db2.gz LNVODQSYIZIDNF-BZUAXINKSA-N 0 3 355.479 0.362 10 0 FCAEHN CCO[C@@H](C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O)C(C)C ZINC001489342411 1208775280 /nfs/dbraw/zinc/77/52/80/1208775280.db2.gz QSUZQHLNQRHEJU-BFYDXBDKSA-N 0 3 355.479 0.220 10 0 FCAEHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)Cc2nc(C)sc2C)C[C@H]1O ZINC001489348063 1208778106 /nfs/dbraw/zinc/77/81/06/1208778106.db2.gz HXMZVIPAOSOQJB-HUUCEWRRSA-N 0 3 368.503 0.332 10 0 FCAEHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@H]1O)N(C)C ZINC001489365475 1208788540 /nfs/dbraw/zinc/78/85/40/1208788540.db2.gz ZAHJOGFPCFORSO-MGPQQGTHSA-N 0 3 364.446 0.040 10 0 FCAEHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)C2(C(F)(F)F)CCC2)C[C@H]1O)N(C)C ZINC001489376757 1208799499 /nfs/dbraw/zinc/79/94/99/1208799499.db2.gz DCZFWKOGOKDIRH-IJLUTSLNSA-N 0 3 365.396 0.747 10 0 FCAEHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2ccc(C)o2)C[C@H]1O)N(C)C ZINC001489377194 1208800354 /nfs/dbraw/zinc/80/03/54/1208800354.db2.gz MAHCANBTRMLYKC-BZUAXINKSA-N 0 3 351.447 0.549 10 0 FCAEHN CCCCCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1O ZINC001489383855 1208806105 /nfs/dbraw/zinc/80/61/05/1208806105.db2.gz CTHGJPIDSXXPEN-HUUCEWRRSA-N 0 3 366.462 0.797 10 0 FCAEHN Cc1nc(C)c(CC(=O)N[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2O)s1 ZINC001489384525 1208806778 /nfs/dbraw/zinc/80/67/78/1208806778.db2.gz POCBIRWYCQYQMW-ZIAGYGMSSA-N 0 3 368.503 0.331 10 0 FCAEHN CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cccc2)C1)N(C)C ZINC001489389777 1208810685 /nfs/dbraw/zinc/81/06/85/1208810685.db2.gz IKDGGTQLULPTLL-BFYDXBDKSA-N 0 3 350.463 0.152 10 0 FCAEHN CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001489398775 1208817571 /nfs/dbraw/zinc/81/75/71/1208817571.db2.gz QYQXJXNSQIZCBO-DJIMGWMZSA-N 0 3 363.458 0.482 10 0 FCAEHN CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CC2CC2)C[C@H]1O)N1CCCCC1 ZINC001489359063 1208819106 /nfs/dbraw/zinc/81/91/06/1208819106.db2.gz BIMROVQYLAHAIG-NUJGCVRESA-N 0 3 351.491 0.985 10 0 FCAEHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@H]1O ZINC001489359640 1208819402 /nfs/dbraw/zinc/81/94/02/1208819402.db2.gz MLVDBZYQQOCILL-HZPDHXFCSA-N 0 3 359.430 0.205 10 0 FCAEHN COc1cc(C)cnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001489359284 1208819510 /nfs/dbraw/zinc/81/95/10/1208819510.db2.gz GORNFYOMVVQRFN-ZIAGYGMSSA-N 0 3 364.446 0.040 10 0 FCAEHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)CCCn2cccc2)C[C@H]1O ZINC001489359872 1208819979 /nfs/dbraw/zinc/81/99/79/1208819979.db2.gz QUHAHFPVLCRTNW-HZPDHXFCSA-N 0 3 350.463 0.296 10 0 FCAEHN CCCSCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001489360148 1208820240 /nfs/dbraw/zinc/82/02/40/1208820240.db2.gz WFNQZPDYGSSMSQ-INMHGKMJSA-N 0 3 371.547 0.938 10 0 FCAEHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)CO[C@@H]1CCOC1 ZINC001489451396 1208839434 /nfs/dbraw/zinc/83/94/34/1208839434.db2.gz MSYJIUFVJFAYTC-RBSFLKMASA-N 0 3 353.463 0.239 10 0 FCAEHN CC[C@H](C)C(=O)NCC(=O)N1C[C@@H](C)[C@H](NC(=O)CN(CC)CC)C1 ZINC001489454275 1208841438 /nfs/dbraw/zinc/84/14/38/1208841438.db2.gz HEXGEMJTYXLAMR-RRFJBIMHSA-N 0 3 354.495 0.454 10 0 FCAEHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1C ZINC001489454340 1208841468 /nfs/dbraw/zinc/84/14/68/1208841468.db2.gz KNLJAWYEEALSLU-HZPDHXFCSA-N 0 3 362.474 0.462 10 0 FCAEHN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CNC(=O)CC(C)(C)C)C1)N(C)C ZINC001489454353 1208841486 /nfs/dbraw/zinc/84/14/86/1208841486.db2.gz KXCPBGQTYCGGTB-KFWWJZLASA-N 0 3 368.522 0.842 10 0 FCAEHN CC(=O)N[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(C)C ZINC001489461052 1208845853 /nfs/dbraw/zinc/84/58/53/1208845853.db2.gz ASKHGBANPNIMMD-FVQBIDKESA-N 0 3 366.506 0.595 10 0 FCAEHN CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001489471065 1208852682 /nfs/dbraw/zinc/85/26/82/1208852682.db2.gz IBRYYFAAFVZTKI-GDBMZVCRSA-N 0 3 364.494 0.904 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001489472659 1208853320 /nfs/dbraw/zinc/85/33/20/1208853320.db2.gz KFGKYPSMSDZUFX-HZPDHXFCSA-N 0 3 354.495 0.014 10 0 FCAEHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1C)N(C)C ZINC001489473603 1208854209 /nfs/dbraw/zinc/85/42/09/1208854209.db2.gz CUWNHCJLMIDTGK-OAGGEKHMSA-N 0 3 366.506 0.548 10 0 FCAEHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)COCc2ccncc2)C[C@H]1C)N(C)C ZINC001489473985 1208854529 /nfs/dbraw/zinc/85/45/29/1208854529.db2.gz FVJLDLPSKKUTHP-OIISXLGYSA-N 0 3 362.474 0.902 10 0 FCAEHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1C ZINC001489477990 1208857183 /nfs/dbraw/zinc/85/71/83/1208857183.db2.gz PEQPIWLDRQUQSV-BFYDXBDKSA-N 0 3 361.490 0.750 10 0 FCAEHN CNC(=O)CCCC(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001489446895 1208861892 /nfs/dbraw/zinc/86/18/92/1208861892.db2.gz XFOPGICAYRAXFY-UKRRQHHQSA-N 0 3 352.479 0.350 10 0 FCAEHN CO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C[C@](C)(O)C1CC1 ZINC001489516619 1208872909 /nfs/dbraw/zinc/87/29/09/1208872909.db2.gz CVSUIZPGWQMCMY-MDZRGWNJSA-N 0 3 367.490 0.364 10 0 FCAEHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CC2=CCOCC2)C[C@H]1OC ZINC001489523440 1208878497 /nfs/dbraw/zinc/87/84/97/1208878497.db2.gz DKJSKNBRVGUQIO-HZPDHXFCSA-N 0 3 353.463 0.407 10 0 FCAEHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]cn2)[C@H](OC)C1 ZINC001489524168 1208879049 /nfs/dbraw/zinc/87/90/49/1208879049.db2.gz VZYVMQHIGQCJRU-FVQBIDKESA-N 0 3 365.478 0.272 10 0 FCAEHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@H]1OC ZINC001489524004 1208879117 /nfs/dbraw/zinc/87/91/17/1208879117.db2.gz NKHXTYMTXNDTPG-IAGOWNOFSA-N 0 3 364.490 0.939 10 0 FCAEHN 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CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528711792 490821507 /nfs/dbraw/zinc/82/15/07/490821507.db2.gz GQPSQBLALQYJJB-CQSZACIVSA-N 0 3 368.459 0.714 10 0 FCAEHN CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000528722318 490822231 /nfs/dbraw/zinc/82/22/31/490822231.db2.gz SRUFOCDGNQKZDL-ZDUSSCGKSA-N 0 3 354.432 0.324 10 0 FCAEHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000528749780 490826608 /nfs/dbraw/zinc/82/66/08/490826608.db2.gz FKUUJIUWQQOEDC-FSZRXZPDSA-N 0 3 368.522 0.447 10 0 FCAEHN CC(C)C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(=O)NCC[NH+](C)C ZINC000565187771 491358645 /nfs/dbraw/zinc/35/86/45/491358645.db2.gz HHSNBJWZIJYVMU-ZDUSSCGKSA-N 0 3 363.462 0.882 10 0 FCAEHN CN(CCC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)c1ccncc1 ZINC000540926458 490840843 /nfs/dbraw/zinc/84/08/43/490840843.db2.gz LYQUSQHENLZJMS-UHFFFAOYSA-N 0 3 369.425 0.993 10 0 FCAEHN COc1cnccc1N1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000529231261 490846309 /nfs/dbraw/zinc/84/63/09/490846309.db2.gz YYZLWJQMLIGWTJ-AWEZNQCLSA-N 0 3 372.429 0.681 10 0 FCAEHN CN1CCN(CCNC(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1(C)C ZINC000529268357 490846908 /nfs/dbraw/zinc/84/69/08/490846908.db2.gz HSTDAZQTXGHVBG-AWEZNQCLSA-N 0 3 350.467 0.070 10 0 FCAEHN C[C@@H](CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)S(N)(=O)=O ZINC000541062927 490848827 /nfs/dbraw/zinc/84/88/27/490848827.db2.gz HUPRGEKQKMSRDE-ZDUSSCGKSA-N 0 3 369.487 0.298 10 0 FCAEHN C[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000506172439 490853384 /nfs/dbraw/zinc/85/33/84/490853384.db2.gz DKIUGBJAQNJOFN-HUUCEWRRSA-N 0 3 360.524 0.974 10 0 FCAEHN O=C(NCCc1cccc2c1OC(F)(F)O2)N1CCOC2(CNC2)C1 ZINC000529351962 490855599 /nfs/dbraw/zinc/85/55/99/490855599.db2.gz UWADIKOYOQPCDW-UHFFFAOYSA-N 0 3 355.341 0.934 10 0 FCAEHN CN1CCN(C(=O)NCCc2cccc3c2OC(F)(F)O3)[C@@H](CN)C1 ZINC000529350057 490855834 /nfs/dbraw/zinc/85/58/34/490855834.db2.gz MZMDCZWTLGMHRH-LBPRGKRZSA-N 0 3 356.373 0.835 10 0 FCAEHN Cc1ccc(NC(=O)C(=O)NCCCn2ccnn2)c(OCCN(C)C)c1 ZINC000541392463 490860482 /nfs/dbraw/zinc/86/04/82/490860482.db2.gz AZIBEQSWQNLNPP-UHFFFAOYSA-N 0 3 374.445 0.672 10 0 FCAEHN CC(=O)NC[C@H]1CCn2ncc(C(=O)N(C)[C@@H]3CCN(C4CC4)C3)c2C1 ZINC000516370031 490861777 /nfs/dbraw/zinc/86/17/77/490861777.db2.gz RLYRFJPKNGQBDR-GOEBONIOSA-N 0 3 359.474 0.890 10 0 FCAEHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCC(=O)NCc1ccccn1 ZINC000516463158 490864671 /nfs/dbraw/zinc/86/46/71/490864671.db2.gz SPIWQNMAMUACKB-OGWOLHLISA-N 0 3 360.458 0.737 10 0 FCAEHN NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN2C2CCCCC2)nc1 ZINC000529717953 490866283 /nfs/dbraw/zinc/86/62/83/490866283.db2.gz IABVCYKPJDNZLZ-CYBMUJFWSA-N 0 3 352.460 0.866 10 0 FCAEHN NS(=O)(=O)c1cnn(CC(=O)NC[C@H]2CCN2C2CCCCC2)c1 ZINC000529718641 490866412 /nfs/dbraw/zinc/86/64/12/490866412.db2.gz KNFJUAXZBSVZRM-CYBMUJFWSA-N 0 3 355.464 0.054 10 0 FCAEHN NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)cn1 ZINC000529721969 490866554 /nfs/dbraw/zinc/86/65/54/490866554.db2.gz FMEVUJUBNFNRJO-AWEZNQCLSA-N 0 3 352.460 0.866 10 0 FCAEHN C[C@H](CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Cc1ccccc1 ZINC000541588248 490867365 /nfs/dbraw/zinc/86/73/65/490867365.db2.gz ACLRADNPEYVYIG-SZMVWBNQSA-N 0 3 352.500 0.953 10 0 FCAEHN CN(CCC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccncc1 ZINC000542180144 490888213 /nfs/dbraw/zinc/88/82/13/490888213.db2.gz VBBUWGIMPFEAQU-MRXNPFEDSA-N 0 3 370.457 0.949 10 0 FCAEHN C[C@H]1CCN(CC(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000565199476 491359674 /nfs/dbraw/zinc/35/96/74/491359674.db2.gz MBWUCWUBLCMYBI-ZDUSSCGKSA-N 0 3 357.451 0.904 10 0 FCAEHN CN1CC[C@]2(CCN(C(=O)N[C@@H]3CCC[C@H]3CNS(C)(=O)=O)C2)C1 ZINC000517006183 490890796 /nfs/dbraw/zinc/89/07/96/490890796.db2.gz ZYNWWZNKFOQVLX-LZWOXQAQSA-N 0 3 358.508 0.442 10 0 FCAEHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CNCCC1(F)F)C2=O ZINC000517029564 490891901 /nfs/dbraw/zinc/89/19/01/490891901.db2.gz VRIPRHKRHXLHFF-BWBHSNQOSA-N 0 3 372.416 0.991 10 0 FCAEHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000572275710 491359999 /nfs/dbraw/zinc/35/99/99/491359999.db2.gz ALPBWQRGHMKYMX-DGCLKSJQSA-N 0 3 358.416 0.890 10 0 FCAEHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CN1C1CC1 ZINC000517567575 490912683 /nfs/dbraw/zinc/91/26/83/490912683.db2.gz MUBXORAAIKVAMY-QIIPPGSGSA-N 0 3 356.470 0.813 10 0 FCAEHN O=C(N1CCN(c2cccnn2)CC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530578851 490913977 /nfs/dbraw/zinc/91/39/77/490913977.db2.gz CZCBAIBEOGUZON-HXUWFJFHSA-N 0 3 367.453 0.762 10 0 FCAEHN CC(C)CN1CCO[C@@H](CNC(=O)CN[C@H](CO)C2CCCCC2)C1 ZINC000542913649 490915270 /nfs/dbraw/zinc/91/52/70/490915270.db2.gz IGVXPTPPXLPKJU-ZWKOTPCHSA-N 0 3 355.523 0.990 10 0 FCAEHN CC1(C)C(=O)NC(=O)N1CC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000542913193 490915472 /nfs/dbraw/zinc/91/54/72/490915472.db2.gz HFPLBNCBHQTUPG-HNNXBMFYSA-N 0 3 374.441 0.200 10 0 FCAEHN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CN1C1CC1 ZINC000543042341 490919649 /nfs/dbraw/zinc/91/96/49/490919649.db2.gz VETNAMLTGXHEPO-IIAWOOMASA-N 0 3 374.489 0.836 10 0 FCAEHN CN(C)CCOc1ccc(CCNC(=O)CS(=O)(=O)N(C)C)cc1 ZINC000543292048 490928416 /nfs/dbraw/zinc/92/84/16/490928416.db2.gz CLVAFMOIKPCSGR-UHFFFAOYSA-N 0 3 357.476 0.177 10 0 FCAEHN CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(CCN(C)C)C2=O)C1 ZINC000518049413 490929302 /nfs/dbraw/zinc/92/93/02/490929302.db2.gz YXOGMMLNZJSXNN-XHSDSOJGSA-N 0 3 366.506 0.692 10 0 FCAEHN CN(C)S(=O)(=O)CC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000543333741 490929599 /nfs/dbraw/zinc/92/95/99/490929599.db2.gz VVIRSGMFEZDWBC-UHFFFAOYSA-N 0 3 369.487 0.151 10 0 FCAEHN CCn1nc(C(=O)N(CCN(C)C)CCN(C)C)c(=O)c2ccccc21 ZINC000530880723 490929759 /nfs/dbraw/zinc/92/97/59/490929759.db2.gz DJFSWGBTECMDIX-UHFFFAOYSA-N 0 3 359.474 0.982 10 0 FCAEHN C[C@H](O)[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccccc1F ZINC000518202453 490933270 /nfs/dbraw/zinc/93/32/70/490933270.db2.gz HFIQGUXRXVUCCS-GDZNZVCISA-N 0 3 351.422 0.774 10 0 FCAEHN CC(C)(CC(N)=O)NCC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000543555486 490936582 /nfs/dbraw/zinc/93/65/82/490936582.db2.gz TVSRPYZVGTWQCK-UHFFFAOYSA-N 0 3 352.460 0.276 10 0 FCAEHN Cn1c(CC(=O)NC[C@H]2CCCCN2CCO)nnc1-c1ccccc1 ZINC000518396523 490939246 /nfs/dbraw/zinc/93/92/46/490939246.db2.gz FOTZLXYGTDEPKB-MRXNPFEDSA-N 0 3 357.458 0.988 10 0 FCAEHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000518535054 490944213 /nfs/dbraw/zinc/94/42/13/490944213.db2.gz VTTYVTNILBOISQ-JFIYKMOQSA-N 0 3 357.454 0.956 10 0 FCAEHN C[C@]1(C2CCN(CCc3nnnn3-c3ccccc3)CC2)NC(=O)NC1=O ZINC000531233366 490947550 /nfs/dbraw/zinc/94/75/50/490947550.db2.gz JOKJNXIVCSWVHB-GOSISDBHSA-N 0 3 369.429 0.515 10 0 FCAEHN CN(C)CCOc1ccccc1C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000518799064 490952369 /nfs/dbraw/zinc/95/23/69/490952369.db2.gz VYFKDFJBBORHGI-UHFFFAOYSA-N 0 3 360.414 0.441 10 0 FCAEHN COc1ccc(C(=O)NCC(=O)N(CCN(C)C)CCN(C)C)cc1 ZINC000531357557 490953494 /nfs/dbraw/zinc/95/34/94/490953494.db2.gz AXZXOJHVLHJAGL-UHFFFAOYSA-N 0 3 350.463 0.377 10 0 FCAEHN CN(CCCN1CCN(C)CC1)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000518889597 490954572 /nfs/dbraw/zinc/95/45/72/490954572.db2.gz BDCPIUKLTKHDQF-UHFFFAOYSA-N 0 3 373.457 0.198 10 0 FCAEHN CCNC(=O)N1CC[C@@H](NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531617385 490967357 /nfs/dbraw/zinc/96/73/57/490967357.db2.gz GQCJQXVOJYVSAI-VQIMIIECSA-N 0 3 360.458 0.543 10 0 FCAEHN O=C(N[C@H]1CNCCC1(F)F)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000519402839 490970879 /nfs/dbraw/zinc/97/08/79/490970879.db2.gz DSWXIJSFVISSFB-LBPRGKRZSA-N 0 3 352.341 0.465 10 0 FCAEHN Cc1cccnc1CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000519627069 490980151 /nfs/dbraw/zinc/98/01/51/490980151.db2.gz AXRVEERHAYJKBM-UHFFFAOYSA-N 0 3 359.474 0.882 10 0 FCAEHN CN(C)CCN(C(=O)c1cc(-c2ccoc2)[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000532335137 490991324 /nfs/dbraw/zinc/99/13/24/490991324.db2.gz JCCSPQAZSRFEDX-CYBMUJFWSA-N 0 3 366.443 0.861 10 0 FCAEHN CNC(=O)[C@@H](CNC(=O)N1CCCNCC1)Cc1ccc(OC)c(F)c1 ZINC000565301781 491368304 /nfs/dbraw/zinc/36/83/04/491368304.db2.gz OZRNQMXREZAROD-CQSZACIVSA-N 0 3 366.437 0.744 10 0 FCAEHN CC(C)(C)OC(=O)CN1CC[C@H](N2CC[C@H](CN3CCOCC3)C2)C1=O ZINC000595326314 491919400 /nfs/dbraw/zinc/91/94/00/491919400.db2.gz JXXJRCBQEVPPET-CVEARBPZSA-N 0 3 367.490 0.583 10 0 FCAEHN CN(C)C[C@]1(O)CCCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000614069536 492013456 /nfs/dbraw/zinc/01/34/56/492013456.db2.gz YPTQUAILYOWRQW-MRXNPFEDSA-N 0 3 364.837 0.844 10 0 FCAEHN COCCN(C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)[C@@H]1CCOC1 ZINC000612481572 491923779 /nfs/dbraw/zinc/92/37/79/491923779.db2.gz CIPAGZOBXQKZGP-JKSUJKDBSA-N 0 3 355.479 0.487 10 0 FCAEHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2c3ccccc3CC2=O)CC1 ZINC000612523729 491928835 /nfs/dbraw/zinc/92/88/35/491928835.db2.gz QZCTWTOQAKQFKG-QGZVFWFLSA-N 0 3 370.453 0.341 10 0 FCAEHN CN(C)C[C@@]1(O)CCCN(C(=O)C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000614068955 492013155 /nfs/dbraw/zinc/01/31/55/492013155.db2.gz RESWQEDPWXDOEL-IBGZPJMESA-N 0 3 356.426 0.970 10 0 FCAEHN CCN1CCN(CCCCNC(=O)N(C)[C@H]2C[C@@H](C(=O)OC)C2)CC1 ZINC000595461494 491932695 /nfs/dbraw/zinc/93/26/95/491932695.db2.gz KVMXTFQZHGWKSO-IYBDPMFKSA-N 0 3 354.495 0.997 10 0 FCAEHN CCOC(=O)C[C@H](O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000601687074 491943295 /nfs/dbraw/zinc/94/32/95/491943295.db2.gz QSJPADSYYFYSFD-LPHOPBHVSA-N 0 3 364.442 0.396 10 0 FCAEHN CCOC(=O)[C@@H]1CCCN(C(=O)CN[C@H](CO)[C@H]2CCC[C@H](OC)C2)C1 ZINC000595634932 491945847 /nfs/dbraw/zinc/94/58/47/491945847.db2.gz RPACSKSLGQBQLV-VVLHAWIVSA-N 0 3 370.490 0.944 10 0 FCAEHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCC(=O)NC(=O)NCc2ccco2)C1 ZINC000595631460 491946026 /nfs/dbraw/zinc/94/60/26/491946026.db2.gz IQDVTMZPPWQINZ-GZBFAFLISA-N 0 3 353.419 0.761 10 0 FCAEHN CCOC(=O)[C@@H]1CCCN(C(=O)CN[C@H](CO)[C@H]2CCC[C@@H](OC)C2)C1 ZINC000595634934 491946043 /nfs/dbraw/zinc/94/60/43/491946043.db2.gz RPACSKSLGQBQLV-YLFCFFPRSA-N 0 3 370.490 0.944 10 0 FCAEHN CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000614069437 492013392 /nfs/dbraw/zinc/01/33/92/492013392.db2.gz XCQWYNAGQLFGGT-APWZRJJASA-N 0 3 362.474 0.751 10 0 FCAEHN CCN1CC[C@H]2OCCN(C(=O)[C@]3(c4ccccc4)CNC(=O)C3)[C@H]2C1 ZINC000569495141 491164456 /nfs/dbraw/zinc/16/44/56/491164456.db2.gz CODSZHFFQVEUPD-QKLQHJQFSA-N 0 3 357.454 0.766 10 0 FCAEHN COCCCN(C)CCNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000553943139 491166050 /nfs/dbraw/zinc/16/60/50/491166050.db2.gz GETSZKFIRJPTKG-CQSZACIVSA-N 0 3 364.512 0.068 10 0 FCAEHN CN1CCC[C@H](NC(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)C1 ZINC000683157229 493335269 /nfs/dbraw/zinc/33/52/69/493335269.db2.gz PORGRQIREKRZCP-AWEZNQCLSA-N 0 3 360.524 0.973 10 0 FCAEHN C[C@H](CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000554013473 491169709 /nfs/dbraw/zinc/16/97/09/491169709.db2.gz XBAHIPFIPKJTRB-AEFFLSMTSA-N 0 3 374.485 0.166 10 0 FCAEHN CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000554125841 491178550 /nfs/dbraw/zinc/17/85/50/491178550.db2.gz SVJKWLUGLFFFMP-HNNXBMFYSA-N 0 3 354.495 0.550 10 0 FCAEHN C[C@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)N1[C@H](C)CC[C@@H]1C ZINC000554154011 491180699 /nfs/dbraw/zinc/18/06/99/491180699.db2.gz DKYZEJVJQMOANX-LXTVHRRPSA-N 0 3 360.524 0.635 10 0 FCAEHN CC(C)N1CC[C@H](NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1=O ZINC000554191569 491182990 /nfs/dbraw/zinc/18/29/90/491182990.db2.gz MSYLLKMZAZNMQI-HOTGVXAUSA-N 0 3 364.490 0.589 10 0 FCAEHN CN1CCN(C(=O)Nc2ccc(F)cc2N2CCOCC2)[C@H](CN)C1 ZINC000562765618 491187613 /nfs/dbraw/zinc/18/76/13/491187613.db2.gz UIJWMVVJTJEHCY-CQSZACIVSA-N 0 3 351.426 0.769 10 0 FCAEHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000562770177 491187721 /nfs/dbraw/zinc/18/77/21/491187721.db2.gz BUPIJABCKFVOQJ-LBPRGKRZSA-N 0 3 372.477 0.989 10 0 FCAEHN C[C@@H](NC(=O)C(=O)NCCOCCN(C)C)c1ccccc1-n1cccn1 ZINC000554256351 491188644 /nfs/dbraw/zinc/18/86/44/491188644.db2.gz BZMXZPKAJNJNGP-OAHLLOKOSA-N 0 3 373.457 0.744 10 0 FCAEHN Cc1nc(C(F)(F)F)ccc1NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000565310856 491369325 /nfs/dbraw/zinc/36/93/25/491369325.db2.gz LKJXJXMQIWQLPT-AWEZNQCLSA-N 0 3 362.352 0.776 10 0 FCAEHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)C1 ZINC000572470385 491372506 /nfs/dbraw/zinc/37/25/06/491372506.db2.gz FZGPKZFRVQHDBM-OAGGEKHMSA-N 0 3 364.490 0.587 10 0 FCAEHN COCCN1CCCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1=O ZINC000572495981 491373654 /nfs/dbraw/zinc/37/36/54/491373654.db2.gz VVVVOLBHMZUUSM-UHFFFAOYSA-N 0 3 362.430 0.881 10 0 FCAEHN C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1)N(C)C1CC1 ZINC000557422418 491374021 /nfs/dbraw/zinc/37/40/21/491374021.db2.gz WVETZMBDLVREAO-QWHCGFSZSA-N 0 3 353.463 0.776 10 0 FCAEHN CN(CCC(=O)N1CCC(CNS(C)(=O)=O)CC1)c1ccncc1 ZINC000557464859 491375715 /nfs/dbraw/zinc/37/57/15/491375715.db2.gz YYZXWDVOOFWCEV-UHFFFAOYSA-N 0 3 354.476 0.696 10 0 FCAEHN COCCN1CCC[C@@H]1CNC(=O)C(=O)N(C)CCCn1ccnc1C ZINC000557495506 491378002 /nfs/dbraw/zinc/37/80/02/491378002.db2.gz XNHOVRAFEUQGRJ-MRXNPFEDSA-N 0 3 365.478 0.267 10 0 FCAEHN CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CCN1CC(F)F ZINC000557561263 491382815 /nfs/dbraw/zinc/38/28/15/491382815.db2.gz TUJMAOFCDYLKOC-CHWSQXEVSA-N 0 3 360.449 0.773 10 0 FCAEHN CCCN(CC)CCNC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000572635231 491383002 /nfs/dbraw/zinc/38/30/02/491383002.db2.gz MRWYDGVYRSXTGE-HNNXBMFYSA-N 0 3 364.494 0.353 10 0 FCAEHN Cc1ccc(C2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3CN)CC2)cn1 ZINC000572630381 491383251 /nfs/dbraw/zinc/38/32/51/491383251.db2.gz HKOHNYNKTLJQIN-KRWDZBQOSA-N 0 3 359.474 0.197 10 0 FCAEHN CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)CCN1CC(F)F ZINC000557561265 491383329 /nfs/dbraw/zinc/38/33/29/491383329.db2.gz TUJMAOFCDYLKOC-QWHCGFSZSA-N 0 3 360.449 0.773 10 0 FCAEHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000572643512 491384085 /nfs/dbraw/zinc/38/40/85/491384085.db2.gz ZDMIHUIMPQVNPO-HOTGVXAUSA-N 0 3 353.426 0.988 10 0 FCAEHN C[S@](=O)C1(CNC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CC1 ZINC000572727218 491389688 /nfs/dbraw/zinc/38/96/88/491389688.db2.gz WJETXGLVYHSKPR-SHACYNPGSA-N 0 3 355.504 0.491 10 0 FCAEHN C[C@@H]1COCC[C@@H]1NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000565753220 491397582 /nfs/dbraw/zinc/39/75/82/491397582.db2.gz MRMSLNBVAZUIBG-QXSJWSMHSA-N 0 3 374.503 0.196 10 0 FCAEHN COc1cnccc1N1CCN(C(=O)C(=O)NCc2c(C)noc2C)CC1 ZINC000565763725 491397987 /nfs/dbraw/zinc/39/79/87/491397987.db2.gz RXGDLSUQIBEUOC-UHFFFAOYSA-N 0 3 373.413 0.660 10 0 FCAEHN CCN(CC)CCNC(=O)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000565847659 491403267 /nfs/dbraw/zinc/40/32/67/491403267.db2.gz KMAVIVLOQVVMCZ-INIZCTEOSA-N 0 3 354.495 0.158 10 0 FCAEHN COC(=O)[C@]1(C)CCCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000572960719 491403970 /nfs/dbraw/zinc/40/39/70/491403970.db2.gz LJKJTYDYOGUFDD-OXQOHEQNSA-N 0 3 373.453 0.873 10 0 FCAEHN CC(=O)N1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)CC1 ZINC000572980334 491405658 /nfs/dbraw/zinc/40/56/58/491405658.db2.gz POSZNCLDMJJZBD-SJORKVTESA-N 0 3 364.490 0.587 10 0 FCAEHN CCC[C@H](C)[C@@H](CO)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000573094219 491412269 /nfs/dbraw/zinc/41/22/69/491412269.db2.gz MSYACHDIRAUVLL-XHDPSFHLSA-N 0 3 357.476 0.968 10 0 FCAEHN NC(C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)C(F)(F)F ZINC000566007765 491412261 /nfs/dbraw/zinc/41/22/61/491412261.db2.gz QBUJRWYBTDEYBF-CYBMUJFWSA-N 0 3 350.385 0.469 10 0 FCAEHN CC(C)CN1CCO[C@@H](CNC(=O)CN(C)[C@@H]2CCN(C3CC3)C2)C1 ZINC000558245898 491422405 /nfs/dbraw/zinc/42/24/05/491422405.db2.gz LCHDEJIEVWDDTJ-MSOLQXFVSA-N 0 3 352.523 0.628 10 0 FCAEHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000558362739 491427832 /nfs/dbraw/zinc/42/78/32/491427832.db2.gz SZDILFRKCLZTSL-WFASDCNBSA-N 0 3 365.396 0.893 10 0 FCAEHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CCN(CC(F)F)CC1 ZINC000566233304 491428429 /nfs/dbraw/zinc/42/84/29/491428429.db2.gz IRMRLZKDVGFZCE-OAHLLOKOSA-N 0 3 366.412 0.480 10 0 FCAEHN Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000573370912 491429540 /nfs/dbraw/zinc/42/95/40/491429540.db2.gz QCXHGWFDZHLKAW-RDJZCZTQSA-N 0 3 367.453 0.821 10 0 FCAEHN CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)[C@H](CN)C1 ZINC000566301014 491434088 /nfs/dbraw/zinc/43/40/88/491434088.db2.gz STIDTDBTAUMEED-SNVBAGLBSA-N 0 3 361.851 0.375 10 0 FCAEHN COCCOc1cccc(CNC(=O)C(=O)N(C)CCN2CCCC2)c1 ZINC000573449477 491434218 /nfs/dbraw/zinc/43/42/18/491434218.db2.gz QAJXRTQXSGFJNR-UHFFFAOYSA-N 0 3 363.458 0.882 10 0 FCAEHN C[C@@H]1CCN(CC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000558652438 491440464 /nfs/dbraw/zinc/44/04/64/491440464.db2.gz RUODOTKOZKGDFH-CQSZACIVSA-N 0 3 358.442 0.217 10 0 FCAEHN C[C@H]1C[C@H](NC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)CCN1C ZINC000558769881 491445666 /nfs/dbraw/zinc/44/56/66/491445666.db2.gz KCUCOFWOQYWWAK-UONOGXRCSA-N 0 3 358.508 0.679 10 0 FCAEHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NC[C@@H]3CC4CCC3CC4)C2)nn1 ZINC000573683945 491447807 /nfs/dbraw/zinc/44/78/07/491447807.db2.gz CZMIDEPKCMBGQM-NDTCATRNSA-N 0 3 374.489 0.843 10 0 FCAEHN CO[C@@H](C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1CCOC1 ZINC000668376882 493344121 /nfs/dbraw/zinc/34/41/21/493344121.db2.gz QLOQVLNMRHXYDI-IAGOWNOFSA-N 0 3 363.458 0.646 10 0 FCAEHN C[C@@H](NC(=O)CNC(=O)CN1CCNC[C@@H]1C(F)F)c1ccc(F)cc1 ZINC000573802300 491455882 /nfs/dbraw/zinc/45/58/82/491455882.db2.gz HJQGROSZVGLFRK-BXUZGUMPSA-N 0 3 372.391 0.658 10 0 FCAEHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1ccccc1S(N)(=O)=O ZINC000573843133 491458288 /nfs/dbraw/zinc/45/82/88/491458288.db2.gz HPLVRAVOKUIEPG-QEORTHHSSA-N 0 3 367.471 0.483 10 0 FCAEHN CN(Cc1nnnn1C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000559269176 491459700 /nfs/dbraw/zinc/45/97/00/491459700.db2.gz IBNIUYBCBUYFDY-MRXNPFEDSA-N 0 3 373.461 0.643 10 0 FCAEHN C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000573924365 491463335 /nfs/dbraw/zinc/46/33/35/491463335.db2.gz RSXVVLDAZCPXIB-TVQRCGJNSA-N 0 3 357.414 0.639 10 0 FCAEHN CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCCCN1CCCC1=O ZINC000559349002 491466463 /nfs/dbraw/zinc/46/64/63/491466463.db2.gz XLQXOAFZORNJBU-MRXNPFEDSA-N 0 3 366.506 0.886 10 0 FCAEHN COC[C@H](NC(=O)NCCCCN1CCN(C)CC1)C1CCOCC1 ZINC000660337925 493344704 /nfs/dbraw/zinc/34/47/04/493344704.db2.gz XMKSGPJAQQMLNI-KRWDZBQOSA-N 0 3 356.511 0.755 10 0 FCAEHN C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(F)cc1F ZINC000566845714 491470379 /nfs/dbraw/zinc/47/03/79/491470379.db2.gz YYXKGIDRDDHGSH-WCQYABFASA-N 0 3 354.401 0.286 10 0 FCAEHN C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(F)cc1F ZINC000566845713 491470523 /nfs/dbraw/zinc/47/05/23/491470523.db2.gz YYXKGIDRDDHGSH-DGCLKSJQSA-N 0 3 354.401 0.286 10 0 FCAEHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C2CCN(C3CC3)CC2)C1 ZINC000574183771 491479504 /nfs/dbraw/zinc/47/95/04/491479504.db2.gz CVCHJVRYVKZDSN-CQSZACIVSA-N 0 3 358.508 0.248 10 0 FCAEHN Cn1cc(N2CCC[C@@H](NC(=O)C(=O)NC3CCN(C4CC4)CC3)C2)cn1 ZINC000559588197 491483239 /nfs/dbraw/zinc/48/32/39/491483239.db2.gz JULCEYXDGDMPCB-OAHLLOKOSA-N 0 3 374.489 0.248 10 0 FCAEHN CC(C)N(C)CC(=O)NCC1(CNC(=O)CN(C)C(C)C)CCOCC1 ZINC000673526190 493341444 /nfs/dbraw/zinc/34/14/44/493341444.db2.gz VAVNGFZDOGSRSO-UHFFFAOYSA-N 0 3 370.538 0.696 10 0 FCAEHN CO[C@@H](CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)C(F)(F)F ZINC000567143577 491488697 /nfs/dbraw/zinc/48/86/97/491488697.db2.gz QBVCEBQMWPJZDF-JQWIXIFHSA-N 0 3 351.369 0.837 10 0 FCAEHN CCc1nc(CNC(=O)C(=O)NC2CCN(CCN(C)C)CC2)cs1 ZINC000559702683 491492758 /nfs/dbraw/zinc/49/27/58/491492758.db2.gz MAFZQKZYIPDKGM-UHFFFAOYSA-N 0 3 367.519 0.464 10 0 FCAEHN CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H](O)CC23CCC3)C1 ZINC000574509898 491501498 /nfs/dbraw/zinc/50/14/98/491501498.db2.gz PWEYDONHPWTDRF-DLBZAZTESA-N 0 3 353.507 0.839 10 0 FCAEHN C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ncnn2C(C)(C)C)CCN1C ZINC000567399284 491504619 /nfs/dbraw/zinc/50/46/19/491504619.db2.gz SAQGTYCBAIXZIO-CHWSQXEVSA-N 0 3 350.467 0.590 10 0 FCAEHN O=C(CCOC1CNC1)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000574634173 491509400 /nfs/dbraw/zinc/50/94/00/491509400.db2.gz 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O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000418835491 489746878 /nfs/dbraw/zinc/74/68/78/489746878.db2.gz PUIVCIKNXIYWFC-QEJZJMRPSA-N 0 3 351.834 0.807 10 0 FCAEHN COCCN1CCC[C@H]1CNC(=O)CCC(=O)Nc1nnc(C2CC2)o1 ZINC000474292194 489752126 /nfs/dbraw/zinc/75/21/26/489752126.db2.gz IJLWHNUYINUCIW-ZDUSSCGKSA-N 0 3 365.434 0.893 10 0 FCAEHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc1F ZINC000570964462 491276752 /nfs/dbraw/zinc/27/67/52/491276752.db2.gz OTSYTQGTNZGCPZ-NXEZZACHSA-N 0 3 367.468 0.991 10 0 FCAEHN O=C(NCCOCc1ccc(Cl)cc1)C(=O)NC[C@H]1CNCCO1 ZINC000418855473 489759308 /nfs/dbraw/zinc/75/93/08/489759308.db2.gz DPYZCZQOKFPGJF-CQSZACIVSA-N 0 3 355.822 0.077 10 0 FCAEHN CCn1nccc1CN(CCO)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000474456650 489764449 /nfs/dbraw/zinc/76/44/49/489764449.db2.gz WFLCREKIRIIVGM-INIZCTEOSA-N 0 3 366.510 0.290 10 0 FCAEHN CCN1CC[C@@H](NC(=O)C(=O)N(C)CCN)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000418866115 489764839 /nfs/dbraw/zinc/76/48/39/489764839.db2.gz MOVTWTANGHJJHG-UKRRQHHQSA-N 0 3 372.391 0.773 10 0 FCAEHN CCN1CC[C@H](NC(=O)C(=O)N[C@H](C)CN)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418868869 489767067 /nfs/dbraw/zinc/76/70/67/489767067.db2.gz QGRBWQVIOBQTMG-DVJZZOLTSA-N 0 3 372.391 0.819 10 0 FCAEHN CCOc1cccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000418874478 489768677 /nfs/dbraw/zinc/76/86/77/489768677.db2.gz ZNUZWDFOQNPKIC-CJNGLKHVSA-N 0 3 363.458 0.973 10 0 FCAEHN COCCN1CC[C@H](NC(=O)CCC(=O)Nc2nnc(C3CC3)o2)C1 ZINC000474601464 489772966 /nfs/dbraw/zinc/77/29/66/489772966.db2.gz RANKCKCOGGGFEE-LBPRGKRZSA-N 0 3 351.407 0.503 10 0 FCAEHN COc1cnccc1N1CCN(C(=O)C(=O)N2CCSCC2)CC1 ZINC000459896326 489783931 /nfs/dbraw/zinc/78/39/31/489783931.db2.gz ABOPDGKLKDJPFE-UHFFFAOYSA-N 0 3 350.444 0.314 10 0 FCAEHN CC1(C)CN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CCN1 ZINC000376783003 489796762 /nfs/dbraw/zinc/79/67/62/489796762.db2.gz PHVHDZVQNNALKJ-KRWDZBQOSA-N 0 3 370.453 0.673 10 0 FCAEHN CN1CCC(O)(CNC(=O)CNC(=O)c2cc3c(s2)CCCC3)CC1 ZINC000474985499 489798983 /nfs/dbraw/zinc/79/89/83/489798983.db2.gz LTMDYQYRFXUNQO-UHFFFAOYSA-N 0 3 365.499 0.930 10 0 FCAEHN O=C(NCCNc1ccncc1)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000491351530 489801320 /nfs/dbraw/zinc/80/13/20/489801320.db2.gz YZJFCMAEUZPDEL-UHFFFAOYSA-N 0 3 353.382 0.555 10 0 FCAEHN CN(C)Cc1cc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)ccc1F ZINC000418957084 489804536 /nfs/dbraw/zinc/80/45/36/489804536.db2.gz DGOKCPDRMVRODM-IYBDPMFKSA-N 0 3 362.449 0.856 10 0 FCAEHN CCN1CCN(CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1 ZINC000376852682 489805829 /nfs/dbraw/zinc/80/58/29/489805829.db2.gz VWWDOTYOIAZIGP-QGZVFWFLSA-N 0 3 374.485 0.751 10 0 FCAEHN CN(C)[C@H](CNC(=O)CN1CCn2c(CO)nnc2C1)c1ccccc1 ZINC000475147403 489807608 /nfs/dbraw/zinc/80/76/08/489807608.db2.gz DHPJQSAUXKUUJK-OAHLLOKOSA-N 0 3 358.446 0.005 10 0 FCAEHN CN(C)[C@@H](CNC(=O)CN1CCn2c(CO)nnc2C1)c1ccccc1 ZINC000475147402 489808193 /nfs/dbraw/zinc/80/81/93/489808193.db2.gz DHPJQSAUXKUUJK-HNNXBMFYSA-N 0 3 358.446 0.005 10 0 FCAEHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000459991358 489810331 /nfs/dbraw/zinc/81/03/31/489810331.db2.gz HEBNEMOAYBGUJM-CABCVRRESA-N 0 3 367.490 0.977 10 0 FCAEHN CN(C)c1ncc(CN(C)C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)cn1 ZINC000460012038 489817734 /nfs/dbraw/zinc/81/77/34/489817734.db2.gz IXXRPJUVYWJPPT-MRXNPFEDSA-N 0 3 374.489 0.588 10 0 FCAEHN O=C(Nc1cccc2c1CCNC2)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000571027907 491281123 /nfs/dbraw/zinc/28/11/23/491281123.db2.gz RCRBMRDSXSKUJO-HNNXBMFYSA-N 0 3 357.332 0.797 10 0 FCAEHN CC(C)C[C@H](NC(=O)c1cc2n(n1)CCCO2)C(=O)NCCN(C)C ZINC000431872226 489821574 /nfs/dbraw/zinc/82/15/74/489821574.db2.gz OEJQJLGRMPNFKJ-ZDUSSCGKSA-N 0 3 351.451 0.488 10 0 FCAEHN COc1nn(C)cc1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000475399316 489823621 /nfs/dbraw/zinc/82/36/21/489823621.db2.gz MXYBWGUBLIXEOA-CQSZACIVSA-N 0 3 359.430 0.656 10 0 FCAEHN C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000419042884 489830939 /nfs/dbraw/zinc/83/09/39/489830939.db2.gz PZYZRAJURFHZMQ-GZMMTYOYSA-N 0 3 356.220 0.852 10 0 FCAEHN COc1ccc(C)cc1C1(CNC(=O)C(=O)N[C@H](C)CN)CCOCC1 ZINC000419060628 489839414 /nfs/dbraw/zinc/83/94/14/489839414.db2.gz FHJFTCJVEJEXSZ-CQSZACIVSA-N 0 3 363.458 0.631 10 0 FCAEHN CCCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 ZINC000432503872 489844148 /nfs/dbraw/zinc/84/41/48/489844148.db2.gz KWPISAXDBIVHPJ-HNNXBMFYSA-N 0 3 361.508 0.371 10 0 FCAEHN O[C@@H](COc1ccc2c(c1)OCO2)CN1CCN(C2CCOCC2)CC1 ZINC000475736702 489846091 /nfs/dbraw/zinc/84/60/91/489846091.db2.gz IABGFHXAPUTXPY-MRXNPFEDSA-N 0 3 364.442 0.952 10 0 FCAEHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@]2(CCO)CCOC2)CC1=O ZINC000475824888 489852454 /nfs/dbraw/zinc/85/24/54/489852454.db2.gz FSHWTGCIVQQBIK-FRQCXROJSA-N 0 3 367.490 0.225 10 0 FCAEHN COc1ccccc1[C@H]1CNCCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000419099694 489855395 /nfs/dbraw/zinc/85/53/95/489855395.db2.gz IHVYDBNAQBDOJC-MRXNPFEDSA-N 0 3 360.458 0.379 10 0 FCAEHN O=C(COc1cccc(C(=O)NCCO)c1)NC1CCN(C2CC2)CC1 ZINC000475918031 489857681 /nfs/dbraw/zinc/85/76/81/489857681.db2.gz HMQPMNQIMRJXHL-UHFFFAOYSA-N 0 3 361.442 0.531 10 0 FCAEHN O=C(COc1ccc(C(=O)NCCO)cc1)NC1CCN(C2CC2)CC1 ZINC000475927082 489857929 /nfs/dbraw/zinc/85/79/29/489857929.db2.gz PQDSRBRTMPYYSZ-UHFFFAOYSA-N 0 3 361.442 0.531 10 0 FCAEHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](CO)c2cccnc2)CC1=O ZINC000377150049 489858785 /nfs/dbraw/zinc/85/87/85/489858785.db2.gz LCQNRUJOEPLBIM-OKZBNKHCSA-N 0 3 374.485 0.607 10 0 FCAEHN Cn1cc(C[C@H]2CC(=O)N(CC(=O)NC3CCN(C4CC4)CC3)C2=O)cn1 ZINC000475963984 489859446 /nfs/dbraw/zinc/85/94/46/489859446.db2.gz HFFLUILOUICBEY-AWEZNQCLSA-N 0 3 373.457 0.081 10 0 FCAEHN CN1CC[C@](O)(CNC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000460270111 489860370 /nfs/dbraw/zinc/86/03/70/489860370.db2.gz UHKWFMLEQIZYLP-SJCJKPOMSA-N 0 3 354.401 0.909 10 0 FCAEHN CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](N)c1ccccc1)N1CCOCC1 ZINC000419113416 489860876 /nfs/dbraw/zinc/86/08/76/489860876.db2.gz GQOFFHXSQGGTJS-IAGOWNOFSA-N 0 3 362.474 0.276 10 0 FCAEHN COCCNC(=O)Cn1cc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000476081525 489867559 /nfs/dbraw/zinc/86/75/59/489867559.db2.gz UAKSCTWSSXIXRL-UKRRQHHQSA-N 0 3 366.466 0.592 10 0 FCAEHN N[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC[C@H]1c1ccc(F)cc1 ZINC000419170010 489868628 /nfs/dbraw/zinc/86/86/28/489868628.db2.gz GRTVQIJEFBZUOA-JJTUDDRGSA-N 0 3 361.417 0.905 10 0 FCAEHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@H]1CCOC[C@H]1C ZINC000433169735 489869809 /nfs/dbraw/zinc/86/98/09/489869809.db2.gz SLPURBXBKHMPPX-JMSVASOKSA-N 0 3 367.471 0.626 10 0 FCAEHN CN(C)CCOc1cc(CNC(=O)NC[C@]2(CCO)CCOC2)ccn1 ZINC000476167469 489871106 /nfs/dbraw/zinc/87/11/06/489871106.db2.gz RSFZWYKWAULTAW-SFHVURJKSA-N 0 3 366.462 0.610 10 0 FCAEHN COCc1cc(NC(=O)NCC(=O)NCCN2CCCCCC2)ncn1 ZINC000433255667 489874563 /nfs/dbraw/zinc/87/45/63/489874563.db2.gz MPCPPVQYKIPAAL-UHFFFAOYSA-N 0 3 364.450 0.737 10 0 FCAEHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000433447635 489883898 /nfs/dbraw/zinc/88/38/98/489883898.db2.gz PDYSRZIFDATKPE-INIZCTEOSA-N 0 3 366.443 0.111 10 0 FCAEHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000420070757 489903462 /nfs/dbraw/zinc/90/34/62/489903462.db2.gz VRPGEVBJFYFUKD-GZBFAFLISA-N 0 3 363.462 0.703 10 0 FCAEHN OC[C@]1(Cc2ccc(F)cc2)CCN(C[C@H](O)CN2CCOCC2)C1 ZINC000377527483 489914257 /nfs/dbraw/zinc/91/42/57/489914257.db2.gz JNGGEAZWWJWKGB-MOPGFXCFSA-N 0 3 352.450 0.746 10 0 FCAEHN COCCNS(=O)(=O)c1cccc(CN[C@H]2CCC(=O)NC2(C)C)c1 ZINC000495054421 489924709 /nfs/dbraw/zinc/92/47/09/489924709.db2.gz ULHJENKLFJFFEJ-HNNXBMFYSA-N 0 3 369.487 0.758 10 0 FCAEHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000495133985 489927923 /nfs/dbraw/zinc/92/79/23/489927923.db2.gz AWLFZKDJLLLWPA-KFWWJZLASA-N 0 3 370.494 0.862 10 0 FCAEHN CCCC[C@@H](CN)NC(=O)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420144289 489929386 /nfs/dbraw/zinc/92/93/86/489929386.db2.gz LFMCDYPMWCHXFR-GOEBONIOSA-N 0 3 360.458 0.884 10 0 FCAEHN CCCC[C@H](CN)NC(=O)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420144288 489929588 /nfs/dbraw/zinc/92/95/88/489929588.db2.gz LFMCDYPMWCHXFR-GDBMZVCRSA-N 0 3 360.458 0.884 10 0 FCAEHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000477037561 489934377 /nfs/dbraw/zinc/93/43/77/489934377.db2.gz WOWCONCGUJHOMO-KDOFPFPSSA-N 0 3 355.479 0.629 10 0 FCAEHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000477057519 489935866 /nfs/dbraw/zinc/93/58/66/489935866.db2.gz NVOBFMJXMUHTQI-DLBZAZTESA-N 0 3 368.522 0.546 10 0 FCAEHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](CC(=O)NC)c1ccccc1 ZINC000477103255 489943691 /nfs/dbraw/zinc/94/36/91/489943691.db2.gz VEJIWBWPGPBGKG-ZBFHGGJFSA-N 0 3 362.474 0.827 10 0 FCAEHN COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420189323 489945880 /nfs/dbraw/zinc/94/58/80/489945880.db2.gz DLDBNTWVJQHORV-HZPDHXFCSA-N 0 3 361.442 0.333 10 0 FCAEHN 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362.478 0.591 10 0 FCAEHN CCCn1cc(C(=O)N2CC[C@@H](C)C[C@H]2CNCCS(C)(=O)=O)nn1 ZINC001489053253 1208622255 /nfs/dbraw/zinc/62/22/55/1208622255.db2.gz XHGMZUPBHGZMBO-KGLIPLIRSA-N 0 3 371.507 0.563 10 0 FCAEHN NC(=O)C1(C(=O)N[C@@H]2CN(CCCO)CC[C@@H]2c2ccc(F)cc2)CC1 ZINC001489097056 1208623569 /nfs/dbraw/zinc/62/35/69/1208623569.db2.gz VHRUOBNSCLAEQF-HZPDHXFCSA-N 0 3 363.433 0.748 10 0 FCAEHN CC[C@@H]1[C@@H](NC(=O)C2CN(C(C)=O)C2)CCN1CCOC[C@@H]1CCCO1 ZINC001489111022 1208626984 /nfs/dbraw/zinc/62/69/84/1208626984.db2.gz AQGZXCJEVAKLOH-OKZBNKHCSA-N 0 3 367.490 0.629 10 0 FCAEHN CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(CCN2CCCC2=O)[C@@H]1CC ZINC001489116730 1208629492 /nfs/dbraw/zinc/62/94/92/1208629492.db2.gz QGTZCCFWIJTIQG-SOUVJXGZSA-N 0 3 352.479 0.493 10 0 FCAEHN CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001489092365 1208635724 /nfs/dbraw/zinc/63/57/24/1208635724.db2.gz GFSMOXODKZZHIZ-HZPDHXFCSA-N 0 3 353.488 0.920 10 0 FCAEHN CC[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCN1CCOCCNC(C)=O ZINC001489136426 1208639678 /nfs/dbraw/zinc/63/96/78/1208639678.db2.gz RCZMOXPGYYKWCL-DLBZAZTESA-N 0 3 369.506 0.925 10 0 FCAEHN CC[C@@H]1[C@@H](NC(=O)c2cnon2)CCN1C[C@H](O)COC1CCOCC1 ZINC001489136479 1208640128 /nfs/dbraw/zinc/64/01/28/1208640128.db2.gz UHAPMKBPYYIJIQ-DUVNUKRYSA-N 0 3 368.434 0.209 10 0 FCAEHN CC(C)NC(=O)NCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]2C1 ZINC001489179704 1208648451 /nfs/dbraw/zinc/64/84/51/1208648451.db2.gz ASZOYVIEQJFVDZ-OAGGEKHMSA-N 0 3 352.479 0.511 10 0 FCAEHN CCCC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)Cc3cnn(C)c3)C[C@@H]2C1 ZINC001489180813 1208648591 /nfs/dbraw/zinc/64/85/91/1208648591.db2.gz CMFBTAOOJJFHKE-IKGGRYGDSA-N 0 3 361.490 0.787 10 0 FCAEHN CC(C)N(C)CC(=O)N1C[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)[C@@H]2C1 ZINC001489244031 1208683273 /nfs/dbraw/zinc/68/32/73/1208683273.db2.gz XUGGWISKKMDUFQ-DZGCQCFKSA-N 0 3 367.881 0.936 10 0 FCAEHN CC(C)N(C)CC(=O)N1CC[C@H]2CN(C(=O)c3cn4cccnc4n3)C[C@H]21 ZINC001489246625 1208686425 /nfs/dbraw/zinc/68/64/25/1208686425.db2.gz BYRHVCVDEQYNPZ-GOEBONIOSA-N 0 3 370.457 0.742 10 0 FCAEHN CC(C)N(C)CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CCCC(=O)N3)C[C@H]21 ZINC001489247103 1208687622 /nfs/dbraw/zinc/68/76/22/1208687622.db2.gz LQCQCAKMEGHCRV-ARFHVFGLSA-N 0 3 364.490 0.445 10 0 FCAEHN C[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)CCN1C[C@H](O)COCC(F)(F)F ZINC001489248913 1208690489 /nfs/dbraw/zinc/69/04/89/1208690489.db2.gz MCADHJRDUQMOJU-USWWRNFRSA-N 0 3 350.341 0.542 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@@H]2CCN(C(=O)c3cnn4ccncc34)[C@@H]2C1 ZINC001489250032 1208691032 /nfs/dbraw/zinc/69/10/32/1208691032.db2.gz HLKVDWDETPJSGT-WMLDXEAASA-N 0 3 370.457 0.744 10 0 FCAEHN CC(C)N(C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C)c3ccnn3C)C[C@H]21 ZINC001489251557 1208692846 /nfs/dbraw/zinc/69/28/46/1208692846.db2.gz JORSANWRLCOZQN-HLLBOEOZSA-N 0 3 361.490 0.923 10 0 FCAEHN Cc1ncc(C(=O)N[C@H]2CCN(C[C@@H](O)COCC(F)(F)F)[C@@H]2C)[nH]1 ZINC001489257960 1208697844 /nfs/dbraw/zinc/69/78/44/1208697844.db2.gz VLNGLLBHPZOEKZ-JLLWLGSASA-N 0 3 364.368 0.851 10 0 FCAEHN C[C@@H]1[C@@H](NC(=O)CC2(O)CCC2)CCN1C[C@H](O)COCC(F)(F)F ZINC001489263353 1208703317 /nfs/dbraw/zinc/70/33/17/1208703317.db2.gz BRMIMTVLQVAUJH-AGIUHOORSA-N 0 3 368.396 0.810 10 0 FCAEHN C[C@@H]1[C@@H](NC(=O)c2cc(CN3CCCC3)on2)CCN1CCOCCO ZINC001489291471 1208722264 /nfs/dbraw/zinc/72/22/64/1208722264.db2.gz LQSQJXLCOXYCGZ-ZBFHGGJFSA-N 0 3 366.462 0.472 10 0 FCAEHN CNC(=O)NC(=O)CN1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001489293209 1208723122 /nfs/dbraw/zinc/72/31/22/1208723122.db2.gz IFILMPCXGDTQGD-ILXRZTDVSA-N 0 3 367.494 0.286 10 0 FCAEHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(CCOCC2CCC2)[C@@H]1C ZINC001489293140 1208723625 /nfs/dbraw/zinc/72/36/25/1208723625.db2.gz KGVJFRCQRJJPSU-NFAWXSAZSA-N 0 3 361.508 0.320 10 0 FCAEHN CCN(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2scnc2C)C1 ZINC001489298680 1208730523 /nfs/dbraw/zinc/73/05/23/1208730523.db2.gz UYMNPLPHQQYKNL-VXGBXAGGSA-N 0 3 354.476 0.483 10 0 FCAEHN CCC(=O)N1CC[C@H](C(=O)N[C@H]2CCN(CCOCCOC)[C@@H]2C)C1 ZINC001489300007 1208732495 /nfs/dbraw/zinc/73/24/95/1208732495.db2.gz FOILQSIHAAXEKT-PMPSAXMXSA-N 0 3 355.479 0.487 10 0 FCAEHN COC[C@H](O)CN1CC[C@H](NC(=O)c2cccc3nsnc32)[C@H]1C ZINC001489300660 1208733726 /nfs/dbraw/zinc/73/37/26/1208733726.db2.gz OKGKNJOECOMVEP-WZRBSPASSA-N 0 3 350.444 0.891 10 0 FCAEHN CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(CCc2cnn(CC)c2)[C@@H]1C ZINC001489307211 1208741070 /nfs/dbraw/zinc/74/10/70/1208741070.db2.gz GMODFCYLWPGHEK-VNQPRFMTSA-N 0 3 364.494 0.862 10 0 FCAEHN C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCN1C[C@H](O)COC1CCOCC1 ZINC001489309188 1208744157 /nfs/dbraw/zinc/74/41/57/1208744157.db2.gz LKOOJVJXTNDIFJ-RYRKJORJSA-N 0 3 369.506 0.218 10 0 FCAEHN COCC(=O)NCCC(=O)N[C@H]1CCN(Cc2ccc(CO)cc2)[C@@H]1C ZINC001489270942 1208748373 /nfs/dbraw/zinc/74/83/73/1208748373.db2.gz VRMWODTUHSCOKN-PBHICJAKSA-N 0 3 363.458 0.411 10 0 FCAEHN C[C@@H]1[C@@H](NC(=O)c2cn(C)ccc2=O)CCN1CCCO[C@@H]1CCOC1 ZINC001489275400 1208752311 /nfs/dbraw/zinc/75/23/11/1208752311.db2.gz HMWYFXJUWFHPHZ-INMHGKMJSA-N 0 3 363.458 0.774 10 0 FCAEHN COCCOC[C@H](O)CN1CC[C@H](NC(=O)c2ccnnc2C)[C@H]1C ZINC001489275873 1208753240 /nfs/dbraw/zinc/75/32/40/1208753240.db2.gz CMAMVKXUPRJKPI-FMKPAKJESA-N 0 3 352.435 0.002 10 0 FCAEHN C[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)c2)CCN1CCOC[C@H]1CCCO1 ZINC001489276164 1208753439 /nfs/dbraw/zinc/75/34/39/1208753439.db2.gz IECXDRDUSXFMQG-OIISXLGYSA-N 0 3 363.458 0.774 10 0 FCAEHN CCCn1nccc1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1O ZINC001489355969 1208783478 /nfs/dbraw/zinc/78/34/78/1208783478.db2.gz SSVSLBTVVHEVTQ-UKRRQHHQSA-N 0 3 365.478 0.325 10 0 FCAEHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCCC2CCOCC2)C[C@H]1O)N(C)C ZINC001489364590 1208787233 /nfs/dbraw/zinc/78/72/33/1208787233.db2.gz FRYYNTVIFKKDJQ-BRWVUGGUSA-N 0 3 369.506 0.611 10 0 FCAEHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1O)N(C)C ZINC001489365353 1208788704 /nfs/dbraw/zinc/78/87/04/1208788704.db2.gz WDGVDEOTCKMYBF-BZUAXINKSA-N 0 3 367.421 0.233 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nncc3ccccc32)C1 ZINC001489380505 1208802402 /nfs/dbraw/zinc/80/24/02/1208802402.db2.gz WFOSDBCAVOWULE-HZPDHXFCSA-N 0 3 371.441 0.273 10 0 FCAEHN CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001489380428 1208802515 /nfs/dbraw/zinc/80/25/15/1208802515.db2.gz SUUUMXAVPJIANY-RRFJBIMHSA-N 0 3 355.479 0.220 10 0 FCAEHN CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC001489380884 1208802714 /nfs/dbraw/zinc/80/27/14/1208802714.db2.gz UDUAHACTFGDJKQ-QZTJIDSGSA-N 0 3 370.453 0.878 10 0 FCAEHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C[C@H]1O ZINC001489381502 1208803675 /nfs/dbraw/zinc/80/36/75/1208803675.db2.gz GVNPEEIKOQRJFZ-ZJIFWQFVSA-N 0 3 365.499 0.881 10 0 FCAEHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2C(C)C)C[C@H]1O ZINC001489381533 1208803740 /nfs/dbraw/zinc/80/37/40/1208803740.db2.gz HUCASXMLUZKBGW-ZIAGYGMSSA-N 0 3 351.451 0.176 10 0 FCAEHN Cc1cncc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001489381898 1208803900 /nfs/dbraw/zinc/80/39/00/1208803900.db2.gz OBHDEHKJGHFLBC-BFYDXBDKSA-N 0 3 362.474 0.586 10 0 FCAEHN CCN(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2sccc2OC)C1 ZINC001489382132 1208804528 /nfs/dbraw/zinc/80/45/28/1208804528.db2.gz UWXYQVQRXNHXLF-VXGBXAGGSA-N 0 3 369.487 0.789 10 0 FCAEHN CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cccc2)C1)N(C)C ZINC001489389778 1208810638 /nfs/dbraw/zinc/81/06/38/1208810638.db2.gz IKDGGTQLULPTLL-INMHGKMJSA-N 0 3 350.463 0.152 10 0 FCAEHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)c2cc(C(F)F)ncn2)C[C@H]1O ZINC001489359750 1208819854 /nfs/dbraw/zinc/81/98/54/1208819854.db2.gz OPLUGJGZAGFADO-CHWSQXEVSA-N 0 3 371.388 0.056 10 0 FCAEHN Cc1n[nH]c(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001489401962 1208834118 /nfs/dbraw/zinc/83/41/18/1208834118.db2.gz MNSZUGGMLXBANH-ZIAGYGMSSA-N 0 3 365.478 0.306 10 0 FCAEHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1C)N(C)C ZINC001489473707 1208854172 /nfs/dbraw/zinc/85/41/72/1208854172.db2.gz GTMUGMSUMKNQKY-KFWWJZLASA-N 0 3 368.522 0.842 10 0 FCAEHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1C)N(C)C ZINC001489474305 1208854625 /nfs/dbraw/zinc/85/46/25/1208854625.db2.gz IFDDENFINZLSKW-YUELXQCFSA-N 0 3 363.462 0.180 10 0 FCAEHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001489477676 1208856630 /nfs/dbraw/zinc/85/66/30/1208856630.db2.gz BQECETXGGDZPEO-MPKXVKKWSA-N 0 3 351.451 0.587 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C2(C(=O)NC)CCC2)C1 ZINC001489478115 1208857197 /nfs/dbraw/zinc/85/71/97/1208857197.db2.gz WISBREVHWSQPLS-ZIAGYGMSSA-N 0 3 352.479 0.208 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@H](OC)C1 ZINC001489524615 1208879436 /nfs/dbraw/zinc/87/94/36/1208879436.db2.gz ZQZPUTBYZCRIPE-CHWSQXEVSA-N 0 3 371.869 0.371 10 0 FCAEHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(COC)on2)C[C@H]1OC)N(C)C ZINC001489528656 1208883447 /nfs/dbraw/zinc/88/34/47/1208883447.db2.gz FECHYEQISNHNLU-RBSFLKMASA-N 0 3 368.434 0.117 10 0 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CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC001325184380 869806102 /nfs/dbraw/zinc/80/61/02/869806102.db2.gz KGFZMRUHUWPGEX-GOSISDBHSA-N 0 3 350.463 0.058 10 0 FCAEHN COCCCN1CCC[C@](CO)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001325850433 870059756 /nfs/dbraw/zinc/05/97/56/870059756.db2.gz JEDANWXZEDAZSP-CUSZFKRNSA-N 0 3 356.463 0.018 10 0 FCAEHN CC(C)c1noc(CCNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)n1 ZINC001325963880 870115900 /nfs/dbraw/zinc/11/59/00/870115900.db2.gz HXFOQRFKJZRZNU-GFCCVEGCSA-N 0 3 352.439 0.497 10 0 FCAEHN COCCCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)C[C@@H]1O ZINC001343198505 870287343 /nfs/dbraw/zinc/28/73/43/870287343.db2.gz FBXZEZWURWWQGK-OAGGEKHMSA-N 0 3 355.479 0.365 10 0 FCAEHN CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC(C)CC2)[C@@H]1SC ZINC001326389330 870287850 /nfs/dbraw/zinc/28/78/50/870287850.db2.gz RTWSQONSYDITEM-KFWWJZLASA-N 0 3 357.520 0.860 10 0 FCAEHN CCOC(=O)c1ncc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)s1 ZINC001326424480 870308326 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CCCN(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001344261462 870788863 /nfs/dbraw/zinc/78/88/63/870788863.db2.gz CVDUWPURKXWTNE-RRFJBIMHSA-N 0 3 352.479 0.256 10 0 FCAEHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001344284572 870803246 /nfs/dbraw/zinc/80/32/46/870803246.db2.gz BHBNLIGUZHYHJP-QWHCGFSZSA-N 0 3 351.451 0.779 10 0 FCAEHN CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001344285103 870804382 /nfs/dbraw/zinc/80/43/82/870804382.db2.gz VLULZZVKPIDGEK-IYOUNJFTSA-N 0 3 352.479 0.396 10 0 FCAEHN CN1CC[C@H](NCC(=O)N[C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(F)cc1 ZINC001327529073 870926328 /nfs/dbraw/zinc/92/63/28/870926328.db2.gz CQCPKOBSXULKPV-ZOBUZTSGSA-N 0 3 369.462 0.464 10 0 FCAEHN O=C(C(=O)N1CCC[C@@H]1CN1CCCCC1)N1CC[C@](O)(C(F)F)C1 ZINC001344717337 870994155 /nfs/dbraw/zinc/99/41/55/870994155.db2.gz ZVNQNCNTLFPYHL-CXAGYDPISA-N 0 3 359.417 0.692 10 0 FCAEHN CCC[C@@H]1C[C@H]1C(=O)NC1(CNCC(=O)NC(=O)NC)CCOCC1 ZINC001327655333 870997492 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/nfs/dbraw/zinc/92/10/87/871921087.db2.gz GFAPJYGRYVJVBU-OLZOCXBDSA-N 0 3 363.380 0.909 10 0 FCAEHN O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001329270082 871921316 /nfs/dbraw/zinc/92/13/16/871921316.db2.gz GFAPJYGRYVJVBU-QWHCGFSZSA-N 0 3 363.380 0.909 10 0 FCAEHN CCN1CCN([C@H](C)CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC001329279538 871928203 /nfs/dbraw/zinc/92/82/03/871928203.db2.gz ZTKGINWHSHMFSL-CABCVRRESA-N 0 3 350.467 0.070 10 0 FCAEHN CCN(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(N)=O)C2 ZINC001347011612 872115358 /nfs/dbraw/zinc/11/53/58/872115358.db2.gz NDKYKZSJRZRZND-AGIUHOORSA-N 0 3 353.467 0.023 10 0 FCAEHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CO[C@@H]1CCOC1 ZINC001347045800 872132999 /nfs/dbraw/zinc/13/29/99/872132999.db2.gz GPHPSIDEVWBKAZ-WCVJEAGWSA-N 0 3 353.463 0.382 10 0 FCAEHN CN1CCN(CCCCNC(=O)NCCC2(CS(C)(=O)=O)CC2)CC1 ZINC001347113673 872168300 /nfs/dbraw/zinc/16/83/00/872168300.db2.gz IUHIHLSUKFCWLQ-UHFFFAOYSA-N 0 3 374.551 0.528 10 0 FCAEHN 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356.486 0.760 10 0 FCAEHN O=C(CN[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1)Nc1ccon1 ZINC001566710589 1269658312 /nfs/dbraw/zinc/65/83/12/1269658312.db2.gz CVCPAQAUPOVKKF-UPJWGTAASA-N 0 3 358.402 0.624 10 0 FCAEHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CNCC(=O)NC1CCCCC1 ZINC001566947890 1269668607 /nfs/dbraw/zinc/66/86/07/1269668607.db2.gz LTPWOMBZRURUGX-OAGGEKHMSA-N 0 3 364.490 0.527 10 0 FCAEHN CN(C)CCn1c2cc(C(=O)N3CC[C@H](NC(N)=O)C3)ccc2[nH]c1=O ZINC001567147543 1269679722 /nfs/dbraw/zinc/67/97/22/1269679722.db2.gz RGESNBLSGFMORI-LBPRGKRZSA-N 0 3 360.418 0.186 10 0 FCAEHN C[C@H](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NCc1cnc(Cl)s1 ZINC001567230624 1269683143 /nfs/dbraw/zinc/68/31/43/1269683143.db2.gz MZUKLGJUGMTZGO-DVVUODLYSA-N 0 3 360.867 0.814 10 0 FCAEHN NC(=O)NC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001567259363 1269683985 /nfs/dbraw/zinc/68/39/85/1269683985.db2.gz CYBYOJGXLLYEPY-MGPQQGTHSA-N 0 3 362.430 0.939 10 0 FCAEHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1OC)N(C)C ZINC001342953472 1269697866 /nfs/dbraw/zinc/69/78/66/1269697866.db2.gz MHJVDTVCUJMFJE-BZUAXINKSA-N 0 3 365.478 0.128 10 0 FCAEHN CN(C)CCSc1nc(CC(=O)N[C@@]2(CCO)CCOC2)cs1 ZINC001568184648 1269720601 /nfs/dbraw/zinc/72/06/01/1269720601.db2.gz ZVNKNZNKUBCFIZ-HNNXBMFYSA-N 0 3 359.517 0.997 10 0 FCAEHN CCc1nc[nH]c1C(=O)N1C[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@H](OC)C1 ZINC001342997075 1269720649 /nfs/dbraw/zinc/72/06/49/1269720649.db2.gz JHRTYFUQMRCYAW-MGPQQGTHSA-N 0 3 351.451 0.268 10 0 FCAEHN COc1ncc(CNC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CCCC2)c(C)n1 ZINC001568242494 1269723651 /nfs/dbraw/zinc/72/36/51/1269723651.db2.gz DTMQDCJXYXBQKZ-KGLIPLIRSA-N 0 3 361.446 0.434 10 0 FCAEHN CC[C@@H]1[C@@H](C(=O)NCC2(NCc3nc(=O)n(C)[n-]3)CCCC2)CC[N@@H+]1C ZINC001568235871 1269723930 /nfs/dbraw/zinc/72/39/30/1269723930.db2.gz WFAOLRJBRWIWHS-UONOGXRCSA-N 0 3 364.494 0.357 10 0 FCAEHN CC[C@@H]1[C@@H](C(=O)NCC2(NCc3nc(=O)n(C)[n-]3)CCCC2)CC[N@H+]1C ZINC001568235871 1269723934 /nfs/dbraw/zinc/72/39/34/1269723934.db2.gz WFAOLRJBRWIWHS-UONOGXRCSA-N 0 3 364.494 0.357 10 0 FCAEHN CC(C)CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001568288577 1269725854 /nfs/dbraw/zinc/72/58/54/1269725854.db2.gz LAMUTLHEKCSJEN-QBYUYEEZSA-N 0 3 355.479 0.247 10 0 FCAEHN Cc1nc(CNC[C@@H](C)N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)n[nH]1 ZINC001568280847 1269726439 /nfs/dbraw/zinc/72/64/39/1269726439.db2.gz DXIPRGJOKDPTQI-FXAINCCUSA-N 0 3 365.356 0.396 10 0 FCAEHN COc1cccc([C@@H]2C[C@H]2C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O)c1 ZINC001568304309 1269727775 /nfs/dbraw/zinc/72/77/75/1269727775.db2.gz KHYFSAFOBPYGGT-BYCMXARLSA-N 0 3 362.430 0.430 10 0 FCAEHN CNC(=O)NC(=O)CNC[C@H](NC(=O)[C@]12C[C@H]1COC2)C1CCCCC1 ZINC001568343497 1269728027 /nfs/dbraw/zinc/72/80/27/1269728027.db2.gz JRXXUPOEGJTSLW-DEYYWGMASA-N 0 3 366.462 0.133 10 0 FCAEHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2cc3c([nH]2)CCC3)C[C@H]1OC ZINC001343015602 1269732069 /nfs/dbraw/zinc/73/20/69/1269732069.db2.gz UWSCVBDOQZOPRU-IAGOWNOFSA-N 0 3 362.474 0.801 10 0 FCAEHN CCN(CCNCc1cccc(C(N)=O)c1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001568775782 1269748276 /nfs/dbraw/zinc/74/82/76/1269748276.db2.gz LGLKCHWKAQABPV-CVEARBPZSA-N 0 3 360.458 0.625 10 0 FCAEHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001569071571 1269762610 /nfs/dbraw/zinc/76/26/10/1269762610.db2.gz PFNIQJXYHVCOPE-TVYUQYBPSA-N 0 3 365.384 0.785 10 0 FCAEHN O=C(CNC[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CC1)N1CCCC1 ZINC001569313011 1269774814 /nfs/dbraw/zinc/77/48/14/1269774814.db2.gz NYHMDSQRIYQTQN-NBOOPKSLSA-N 0 3 365.474 0.145 10 0 FCAEHN CS(=O)(=O)CCNC[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CCCC1 ZINC001569606286 1269792290 /nfs/dbraw/zinc/79/22/90/1269792290.db2.gz CXUBDMSLBRKNJZ-NEMWNAMBSA-N 0 3 370.515 0.719 10 0 FCAEHN CC[C@@H]1OCC[C@H]1C(=O)NCC1(NCC(=O)N(C)CC)CCOCC1 ZINC001569731687 1269800137 /nfs/dbraw/zinc/80/01/37/1269800137.db2.gz GAEPZELVCHQFKK-CABCVRRESA-N 0 3 355.479 0.535 10 0 FCAEHN Cc1ccc(CN2CCC[C@@](CO)(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(C)c1 ZINC001569897609 1269817412 /nfs/dbraw/zinc/81/74/12/1269817412.db2.gz GTGYTBFTZCJWMX-FUHIMQAGSA-N 0 3 359.470 0.868 10 0 FCAEHN O=C(NCCCNC(=O)c1ccccc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC001343238829 1269824259 /nfs/dbraw/zinc/82/42/59/1269824259.db2.gz SQXISEBONWOUNA-KRWDZBQOSA-N 0 3 372.469 0.619 10 0 FCAEHN Cc1nc(C)c(CNCC[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)o1 ZINC001570007083 1269829272 /nfs/dbraw/zinc/82/92/72/1269829272.db2.gz ZFPJLPZGLNLPPC-SOUVJXGZSA-N 0 3 364.446 0.653 10 0 FCAEHN CC(C)CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001570090073 1269838804 /nfs/dbraw/zinc/83/88/04/1269838804.db2.gz JSYKSSGAJGPCDK-OWCLPIDISA-N 0 3 366.506 0.631 10 0 FCAEHN CC[C@H](C)NC(=O)CNCC1(NC(=O)[C@]23C[C@H]2COC3)CCOCC1 ZINC001570300971 1269867814 /nfs/dbraw/zinc/86/78/14/1269867814.db2.gz FQGJSCBFXPVNGO-DEYYWGMASA-N 0 3 353.463 0.193 10 0 FCAEHN CC[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNCC(=O)NCC2CCC2)CC1 ZINC001570421153 1269881825 /nfs/dbraw/zinc/88/18/25/1269881825.db2.gz YQWWABLEUOKQTF-HZPDHXFCSA-N 0 3 351.491 0.892 10 0 FCAEHN COCC(C)(C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCCN2C(C)C)[C@@H](O)C1 ZINC001343377492 1269884327 /nfs/dbraw/zinc/88/43/27/1269884327.db2.gz PWMHUKWOJFRZCB-OAGGEKHMSA-N 0 3 369.506 0.610 10 0 FCAEHN CCCN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCOCC2CC2)[C@@H](O)C1 ZINC001343377321 1269885033 /nfs/dbraw/zinc/88/50/33/1269885033.db2.gz MZGMPMHYFKCWKG-IKGGRYGDSA-N 0 3 367.490 0.365 10 0 FCAEHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)[C@@H](C)c2cccc(F)c2)[C@@H](O)C1 ZINC001343413437 1269902511 /nfs/dbraw/zinc/90/25/11/1269902511.db2.gz MOCKKBRRSCHQEZ-XKQJLSEDSA-N 0 3 365.449 0.959 10 0 FCAEHN Cc1ccc(OCC(=O)N2C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2)cc1 ZINC001343452410 1269913330 /nfs/dbraw/zinc/91/33/30/1269913330.db2.gz KCMNKMHYCKOEHA-SJORKVTESA-N 0 3 363.458 0.402 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)c2ccc(C(F)F)nc2)[C@@H](O)C1 ZINC001343475562 1269920442 /nfs/dbraw/zinc/92/04/42/1269920442.db2.gz BGEGVEXTNPYIRR-KGLIPLIRSA-N 0 3 370.400 0.663 10 0 FCAEHN CC[C@@H](C)NC(=O)CN(C)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001571333748 1269927811 /nfs/dbraw/zinc/92/78/11/1269927811.db2.gz AIHUNXHHJWHIBI-KFWWJZLASA-N 0 3 366.506 0.726 10 0 FCAEHN CC[C@H](C)NC(=O)CN(C)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001571333749 1269927824 /nfs/dbraw/zinc/92/78/24/1269927824.db2.gz AIHUNXHHJWHIBI-ZNMIVQPWSA-N 0 3 366.506 0.726 10 0 FCAEHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C[C@@H]1O)N(C)C ZINC001343501521 1269929144 /nfs/dbraw/zinc/92/91/44/1269929144.db2.gz LPEGFCSPLMYAFL-ILOCAZANSA-N 0 3 359.470 0.818 10 0 FCAEHN CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)COC2CCC(C)CC2)[C@@H](O)C1 ZINC001343507539 1269931209 /nfs/dbraw/zinc/93/12/09/1269931209.db2.gz UKQZXRHPDFUMEM-BACDZXNISA-N 0 3 369.506 0.610 10 0 FCAEHN O=C(NC[C@H](CO)NCCOc1cccc(Cl)c1)[C@]12C[C@H]1COC2 ZINC001571429772 1269933565 /nfs/dbraw/zinc/93/35/65/1269933565.db2.gz KLSGDBLJMHVNKM-QEORTHHSSA-N 0 3 354.834 0.822 10 0 FCAEHN COc1cccc(CNC[C@@H](O)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC001571582688 1269938704 /nfs/dbraw/zinc/93/87/04/1269938704.db2.gz KVUXGYQVAKDNTN-RBSFLKMASA-N 0 3 359.430 0.526 10 0 FCAEHN CN(C[C@H](O)CNCC(=O)N(C)CC(F)(F)F)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001571592400 1269941791 /nfs/dbraw/zinc/94/17/91/1269941791.db2.gz IPDGHWPXVJLQKC-FRRDWIJNSA-N 0 3 365.396 0.462 10 0 FCAEHN CN(CCn1cccn1)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001571601421 1269944272 /nfs/dbraw/zinc/94/42/72/1269944272.db2.gz LIGXNRTTZVNNDR-OKZBNKHCSA-N 0 3 357.458 0.833 10 0 FCAEHN COCCOCCN1CC=C(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001571691360 1269951266 /nfs/dbraw/zinc/95/12/66/1269951266.db2.gz JJVABUGOWGOITB-OKZBNKHCSA-N 0 3 368.474 0.449 10 0 FCAEHN CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)C[C@H]2CCC(C)(C)CO2)[C@@H](O)C1 ZINC001343600407 1269958029 /nfs/dbraw/zinc/95/80/29/1269958029.db2.gz ADGVOVBTZQUOOE-OAGGEKHMSA-N 0 3 369.506 0.610 10 0 FCAEHN CC[C@@H]1CCO[C@@H]1C(=O)NC1(CCO)CN(C(=O)CN(C)C(C)C)C1 ZINC001571886710 1269974062 /nfs/dbraw/zinc/97/40/62/1269974062.db2.gz XYXLRDYMIZWMNK-ZBFHGGJFSA-N 0 3 355.479 0.221 10 0 FCAEHN CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001572004732 1269987422 /nfs/dbraw/zinc/98/74/22/1269987422.db2.gz FBUCRPIQBAVUAD-JLOCXQCDSA-N 0 3 351.491 0.962 10 0 FCAEHN CCN(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3nccnc3N)[C@@H]2C1 ZINC001343821032 1270021286 /nfs/dbraw/zinc/02/12/86/1270021286.db2.gz HKLLWPIFOOTIME-CHWSQXEVSA-N 0 3 360.462 0.462 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@H]2CCN(C(=O)[C@@]3(CC)CCNC3=O)C[C@H]21 ZINC001343866057 1270035436 /nfs/dbraw/zinc/03/54/36/1270035436.db2.gz KDSSTXJBXAMJMV-CLCXKQKWSA-N 0 3 364.490 0.304 10 0 FCAEHN CC(C)N(C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)c3cncnc3)C[C@H]21 ZINC001343887191 1270040367 /nfs/dbraw/zinc/04/03/67/1270040367.db2.gz KWRXDWVNKZLJRG-BFYDXBDKSA-N 0 3 359.474 0.980 10 0 FCAEHN 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CCCN(C)CC(=O)N1C[C@@H](NC(=O)c2c(C)nn(C)c2F)[C@H](OC)C1 ZINC001739585412 1290198791 /nfs/dbraw/zinc/19/87/91/1290198791.db2.gz AAQDWMXWYMCKIQ-CHWSQXEVSA-N 0 3 369.441 0.165 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)Cc2cccnc2C)[C@H](OC)C1 ZINC001739594227 1290212818 /nfs/dbraw/zinc/21/28/18/1290212818.db2.gz RFDLBVPUPLGYQU-IAGOWNOFSA-N 0 3 362.474 0.616 10 0 FCAEHN CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)CCc2ccco2)[C@@H](O)C1)N(C)C ZINC001739597599 1290217609 /nfs/dbraw/zinc/21/76/09/1290217609.db2.gz AFPIVVUHWCPNRL-VYDXJSESSA-N 0 3 351.447 0.486 10 0 FCAEHN Nc1cc(Br)cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1N ZINC001623487767 1290221775 /nfs/dbraw/zinc/22/17/75/1290221775.db2.gz IGXNAAQVQKEGKA-MNOVXSKESA-N 0 3 369.263 0.895 10 0 FCAEHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)c2ccc(C)cc2OC)C[C@@H]1O ZINC001739629686 1290263360 /nfs/dbraw/zinc/26/33/60/1290263360.db2.gz KLHALKPKWHRVIG-CVEARBPZSA-N 0 3 363.458 0.647 10 0 FCAEHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)Cc2c(C)cccc2C)C[C@@H]1O ZINC001739630310 1290264441 /nfs/dbraw/zinc/26/44/41/1290264441.db2.gz RMLJEWUAZHLGFH-MSOLQXFVSA-N 0 3 361.486 0.876 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)C(C)(C)c2cccnc2)[C@@H](O)C1 ZINC001739651541 1290300564 /nfs/dbraw/zinc/30/05/64/1290300564.db2.gz ZTMRNJDDIVDFMK-CVEARBPZSA-N 0 3 362.474 0.389 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)CCc2nc(C)cs2)[C@@H](O)C1 ZINC001739652648 1290301789 /nfs/dbraw/zinc/30/17/89/1290301789.db2.gz JHGGLMMRQSXDLJ-KGLIPLIRSA-N 0 3 368.503 0.414 10 0 FCAEHN CCCCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001739658017 1290315846 /nfs/dbraw/zinc/31/58/46/1290315846.db2.gz NQUDIJPVLRUQPX-ZNMIVQPWSA-N 0 3 355.479 0.364 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H](O)C1 ZINC001739659897 1290320628 /nfs/dbraw/zinc/32/06/28/1290320628.db2.gz PAOHTEPKSIQQBE-MLHJIOFPSA-N 0 3 359.470 0.820 10 0 FCAEHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)c2c(Cl)n[nH]c2CC)C[C@@H]1O ZINC001739665016 1290332398 /nfs/dbraw/zinc/33/23/98/1290332398.db2.gz ZMZWPLVLMGGTSE-NEPJUHHUSA-N 0 3 371.869 0.269 10 0 FCAEHN CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)c2coc(CC3CC3)n2)[C@@H](O)C1 ZINC001739676205 1290341349 /nfs/dbraw/zinc/34/13/49/1290341349.db2.gz BWAQQXRGBVBMKH-HIFRSBDPSA-N 0 3 364.446 0.269 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)c2cccc(OC)c2F)[C@@H](O)C1 ZINC001739688030 1290361039 /nfs/dbraw/zinc/36/10/39/1290361039.db2.gz JRIBDAJMKJYHKI-KGLIPLIRSA-N 0 3 367.421 0.478 10 0 FCAEHN CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)COC[C@@H]3CCCO3)[C@@H]2C1 ZINC001739713898 1290380537 /nfs/dbraw/zinc/38/05/37/1290380537.db2.gz DCAMASVJOYTOIA-IXDOHACOSA-N 0 3 367.490 0.583 10 0 FCAEHN CNC(=O)CCCCC(=O)N1C[C@H]2CCN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001739714672 1290381807 /nfs/dbraw/zinc/38/18/07/1290381807.db2.gz RHORHMLYLHUEOZ-HZPDHXFCSA-N 0 3 366.506 0.692 10 0 FCAEHN CCN1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CNC(=O)OC)C[C@H]21 ZINC001739719734 1290390925 /nfs/dbraw/zinc/39/09/25/1290390925.db2.gz AOCRMEILQWLPOR-RBSFLKMASA-N 0 3 366.462 0.276 10 0 FCAEHN CCCN(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001739891551 1290425307 /nfs/dbraw/zinc/42/53/07/1290425307.db2.gz OHBUOVHXTUOWKB-HRCADAONSA-N 0 3 366.506 0.598 10 0 FCAEHN CCn1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)Cc3nc[nH]c3C)C2)nn1 ZINC001739895594 1290428179 /nfs/dbraw/zinc/42/81/79/1290428179.db2.gz HXXALUBEBKQDTI-QWHCGFSZSA-N 0 3 359.434 0.587 10 0 FCAEHN CCO[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1CNC(=O)CN1CCC[C@H]1C ZINC001739927280 1290440498 /nfs/dbraw/zinc/44/04/98/1290440498.db2.gz AHJDJOHCWRMRSY-IIAWOOMASA-N 0 3 363.462 0.487 10 0 FCAEHN CCO[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1CNC(=O)CN1CCC[C@H]1C ZINC001739927280 1290440501 /nfs/dbraw/zinc/44/05/01/1290440501.db2.gz AHJDJOHCWRMRSY-IIAWOOMASA-N 0 3 363.462 0.487 10 0 FCAEHN CCO[C@@H]1CN(C(=O)C2CC(OC)C2)C[C@H]1CNC(=O)CN(C)C(C)C ZINC001739938250 1290446329 /nfs/dbraw/zinc/44/63/29/1290446329.db2.gz FCGSTQURHXZRJM-MNAZLIDISA-N 0 3 369.506 0.731 10 0 FCAEHN CCCN(C)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)NC(C)=O ZINC001739976516 1290456444 /nfs/dbraw/zinc/45/64/44/1290456444.db2.gz ULPTVCQCNPHHAP-PVAVHDDUSA-N 0 3 368.522 0.986 10 0 FCAEHN CCC(=O)NCC(=O)N[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@@H]1CC ZINC001739991779 1290460002 /nfs/dbraw/zinc/46/00/02/1290460002.db2.gz CBPVGYBYAUJYAW-SOUVJXGZSA-N 0 3 352.479 0.350 10 0 FCAEHN CCNC(=O)CCC(=O)N1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001740035717 1290473945 /nfs/dbraw/zinc/47/39/45/1290473945.db2.gz NVIDPDIATFAFQE-CVEARBPZSA-N 0 3 366.506 0.550 10 0 FCAEHN Cc1nccc(CCC(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@@H]2C)n1 ZINC001740089429 1290487904 /nfs/dbraw/zinc/48/79/04/1290487904.db2.gz PFCBKRUFNRXCIK-COXVUDFISA-N 0 3 359.474 0.917 10 0 FCAEHN CN1CCC(N(CCO)C(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC001627874257 1290491350 /nfs/dbraw/zinc/49/13/50/1290491350.db2.gz OHWSNDXLQPLOBB-SNAWJCMRSA-N 0 3 371.441 0.973 10 0 FCAEHN CC(C)N(C)CC(=O)N1C[C@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@@]2(C)C1 ZINC001740145889 1290499813 /nfs/dbraw/zinc/49/98/13/1290499813.db2.gz 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CCCN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(OC)nc1 ZINC001740380087 1290550668 /nfs/dbraw/zinc/55/06/68/1290550668.db2.gz OCKNOMGJYCDFAS-KFWWJZLASA-N 0 3 361.446 0.689 10 0 FCAEHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1Cc2cc(F)ccc2NC1=O ZINC001628988283 1290567845 /nfs/dbraw/zinc/56/78/45/1290567845.db2.gz FNSQSVVCBCKYCW-AWEZNQCLSA-N 0 3 364.421 0.415 10 0 FCAEHN CN(C)CCn1c2cc(C(=O)NCCn3cnccc3=O)ccc2[nH]c1=O ZINC001630766847 1290698694 /nfs/dbraw/zinc/69/86/94/1290698694.db2.gz ZWZCPXMACGFWPP-UHFFFAOYSA-N 0 3 370.413 0.290 10 0 FCAEHN CCCN(C)CC(=O)N1C[C@@H]2CN(C(=O)C3CN(C(C)=O)C3)C[C@]2(C)C1 ZINC001757580229 1290786927 /nfs/dbraw/zinc/78/69/27/1290786927.db2.gz VTJOOVOPCIKRFR-APWZRJJASA-N 0 3 364.490 0.113 10 0 FCAEHN CC[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN(C)C1CCC1 ZINC001757767990 1290811422 /nfs/dbraw/zinc/81/14/22/1290811422.db2.gz SCYYTOUPHCIJEN-NCOADZHNSA-N 0 3 364.490 0.634 10 0 FCAEHN CCN(CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2 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/nfs/dbraw/zinc/32/03/83/1292320383.db2.gz BUYKMOSEAUQWAG-KFWWJZLASA-N 0 3 369.510 0.518 10 0 FCAEHN CC(C)N(C)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CO[C@@H]1CCOC1 ZINC001684720708 1292320987 /nfs/dbraw/zinc/32/09/87/1292320987.db2.gz WVLDERMIVKWCJI-IXDOHACOSA-N 0 3 369.506 0.875 10 0 FCAEHN CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H](C)NC(N)=O)N(C)C ZINC001684735397 1292325000 /nfs/dbraw/zinc/32/50/00/1292325000.db2.gz OWXMXZRJXFFROM-ZOBORPQBSA-N 0 3 355.483 0.127 10 0 FCAEHN Cc1ccc(CN2CC[C@H](NC(=O)NCc3cn(C)c(=O)[nH]c3=O)C2)cc1 ZINC001684744022 1292327510 /nfs/dbraw/zinc/32/75/10/1292327510.db2.gz IVDNOHZJRSVVQD-INIZCTEOSA-N 0 3 371.441 0.868 10 0 FCAEHN COC[C@@H](OC)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001684768060 1292332189 /nfs/dbraw/zinc/33/21/89/1292332189.db2.gz QGPXSNFKSZUYQL-OWCLPIDISA-N 0 3 369.506 0.875 10 0 FCAEHN CC[C@@H]1[C@@H](NC(=O)C2(NC(N)=O)CC2)CCN1C(=O)CN(CC)CC ZINC001684903956 1292360408 /nfs/dbraw/zinc/36/04/08/1292360408.db2.gz RPWXMGVTWPAPKM-QWHCGFSZSA-N 0 3 353.467 0.025 10 0 FCAEHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccc2oc(=O)[nH]c2c1 ZINC001685023167 1292399822 /nfs/dbraw/zinc/39/98/22/1292399822.db2.gz HINRASCEMISDCL-LLVKDONJSA-N 0 3 361.402 0.795 10 0 FCAEHN CCC(=O)NCC(=O)N1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001685233186 1292461605 /nfs/dbraw/zinc/46/16/05/1292461605.db2.gz PEAKQTJIYHTMHT-OAGGEKHMSA-N 0 3 366.506 0.883 10 0 FCAEHN C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)CCN3CCCC3=O)[C@H]2C)C1 ZINC001685241730 1292465495 /nfs/dbraw/zinc/46/54/95/1292465495.db2.gz PKSRYBZJLIHVAE-OAGGEKHMSA-N 0 3 364.490 0.446 10 0 FCAEHN C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)CCc3cnn(C)c3)[C@H]2C)C1 ZINC001685265322 1292475265 /nfs/dbraw/zinc/47/52/65/1292475265.db2.gz HVPGKSLEGRHFBC-INMHGKMJSA-N 0 3 361.490 0.800 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@]2(C)C1 ZINC001685538807 1292552279 /nfs/dbraw/zinc/55/22/79/1292552279.db2.gz MCKYEULUENUBQM-QFBILLFUSA-N 0 3 361.490 0.991 10 0 FCAEHN CC(C)N(C)CC(=O)N1C[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@]2(C)C1 ZINC001685540821 1292553413 /nfs/dbraw/zinc/55/34/13/1292553413.db2.gz LCTLYVIMVUEPJZ-ACJLOTCBSA-N 0 3 352.479 0.145 10 0 FCAEHN CCCN(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@]3(C)CCC(=O)N3)C[C@]2(C)C1 ZINC001685566889 1292560168 /nfs/dbraw/zinc/56/01/68/1292560168.db2.gz BHLOUAWKASEYGV-CCKFTAQKSA-N 0 3 364.490 0.304 10 0 FCAEHN Cc1nc[nH]c1CC(=O)NC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001685732888 1292614196 /nfs/dbraw/zinc/61/41/96/1292614196.db2.gz KZFVXDYYEDSYOR-IIAWOOMASA-N 0 3 361.490 0.956 10 0 FCAEHN CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1C ZINC001685733153 1292614250 /nfs/dbraw/zinc/61/42/50/1292614250.db2.gz WNVVJZDJYMXSOS-NVXWUHKLSA-N 0 3 363.506 0.998 10 0 FCAEHN CC(C)N(C)CC(=O)N1C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)[C@H](C)C1 ZINC001685742823 1292617719 /nfs/dbraw/zinc/61/77/19/1292617719.db2.gz OPNJVNSIJCEKFY-KFWWJZLASA-N 0 3 352.479 0.158 10 0 FCAEHN CCOC(OCC)[C@@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001685769767 1292626676 /nfs/dbraw/zinc/62/66/76/1292626676.db2.gz ZOLSLUHIESBTOQ-CABCVRRESA-N 0 3 370.494 0.722 10 0 FCAEHN C[C@@H]1CCN(CC(=O)NC[C@@H]2CN(C(=O)CCn3ccnn3)C[C@H]2C)C1 ZINC001685786139 1292634105 /nfs/dbraw/zinc/63/41/05/1292634105.db2.gz DFZDIJOGDIPKQU-BZUAXINKSA-N 0 3 362.478 0.221 10 0 FCAEHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001685786550 1292634511 /nfs/dbraw/zinc/63/45/11/1292634511.db2.gz SMQFIWMPZIEQND-VFVRVIDISA-N 0 3 370.469 0.285 10 0 FCAEHN CCCN(C)CC(=O)N1C[C@@H](CNC(=O)[C@@H](CC)NC(C)=O)[C@H](C)C1 ZINC001685793473 1292638448 /nfs/dbraw/zinc/63/84/48/1292638448.db2.gz JTZBXUFWXQYHMY-FVQBIDKESA-N 0 3 354.495 0.454 10 0 FCAEHN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2cnn(C)c2)C1)N(C)C ZINC001685827528 1292646783 /nfs/dbraw/zinc/64/67/83/1292646783.db2.gz OTLGQYKUVOGXCR-OIISXLGYSA-N 0 3 363.506 0.904 10 0 FCAEHN Cc1[nH]cnc1CC(=O)NCC[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C ZINC001685872997 1292671569 /nfs/dbraw/zinc/67/15/69/1292671569.db2.gz SICWTDFGSOIFRL-UKRRQHHQSA-N 0 3 358.446 0.758 10 0 FCAEHN CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC(=O)N2)C1)N(C)C ZINC001685873007 1292671953 /nfs/dbraw/zinc/67/19/53/1292671953.db2.gz SPTONOYYGGTETF-AIANPOQGSA-N 0 3 366.506 0.452 10 0 FCAEHN CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cn(CC)nn2)C1 ZINC001685882729 1292676859 /nfs/dbraw/zinc/67/68/59/1292676859.db2.gz YDNOJQRMHFNBME-HUUCEWRRSA-N 0 3 364.494 0.854 10 0 FCAEHN CC[C@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@]2(C)CCC(=O)N2)C1)N(C)C ZINC001685886146 1292679022 /nfs/dbraw/zinc/67/90/22/1292679022.db2.gz PXSVICLTNNCVSQ-GPINWOSQSA-N 0 3 366.506 0.596 10 0 FCAEHN CCN1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(C)=O)C2 ZINC001685959790 1292706740 /nfs/dbraw/zinc/70/67/40/1292706740.db2.gz ZDIGBLPCEQIQQG-FXUDXRNXSA-N 0 3 350.463 0.245 10 0 FCAEHN CCC[C@@H](NC(N)=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(CC)CC)C2 ZINC001686012441 1292729518 /nfs/dbraw/zinc/72/95/18/1292729518.db2.gz VLSNHOZIUBAAJL-KBXIAJHMSA-N 0 3 367.494 0.413 10 0 FCAEHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCN1C)C(=O)C1CC1 ZINC001686028261 1292736379 /nfs/dbraw/zinc/73/63/79/1292736379.db2.gz SFBCYUYCJSNGHX-FXUDXRNXSA-N 0 3 362.474 0.197 10 0 FCAEHN CCC[C@@H](NC(N)=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(C)C)C2 ZINC001686030864 1292737591 /nfs/dbraw/zinc/73/75/91/1292737591.db2.gz KJFCSSLOARAPJO-KBXIAJHMSA-N 0 3 367.494 0.412 10 0 FCAEHN CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C(N)=O)ccn1)N(C)C ZINC001686040426 1292740828 /nfs/dbraw/zinc/74/08/28/1292740828.db2.gz RUMVXNZSZDTCLA-CLWVCHIJSA-N 0 3 373.457 0.382 10 0 FCAEHN CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN(C)C(C)C ZINC001686042761 1292743322 /nfs/dbraw/zinc/74/33/22/1292743322.db2.gz VVHCGGMVHJRHJK-QZWWFDLISA-N 0 3 366.506 0.295 10 0 FCAEHN CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C2 ZINC001686045843 1292744540 /nfs/dbraw/zinc/74/45/40/1292744540.db2.gz GQYDQRLHVQPFOB-KBXIAJHMSA-N 0 3 350.463 0.103 10 0 FCAEHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnn(C)n1)C2)N(C)C ZINC001686100054 1292767917 /nfs/dbraw/zinc/76/79/17/1292767917.db2.gz XFVNEOJKDRSPLK-UGUYLWEFSA-N 0 3 362.478 0.336 10 0 FCAEHN CCN(CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCNC(=O)CC1 ZINC001686167987 1292797366 /nfs/dbraw/zinc/79/73/66/1292797366.db2.gz OSYWHNSQPSJNHP-JJXSEGSLSA-N 0 3 364.490 0.493 10 0 FCAEHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccn(C)n1)C2)N(C)C ZINC001686176130 1292800422 /nfs/dbraw/zinc/80/04/22/1292800422.db2.gz JYLGUNVHIXLTRN-NCOADZHNSA-N 0 3 361.490 0.941 10 0 FCAEHN CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001686182262 1292802438 /nfs/dbraw/zinc/80/24/38/1292802438.db2.gz NSILQBDOZGXIPD-YJNKXOJESA-N 0 3 350.463 0.245 10 0 FCAEHN CCCN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@]1(COC)CCOC1 ZINC001686225753 1292837141 /nfs/dbraw/zinc/83/71/41/1292837141.db2.gz NIXMSNODWJVGRQ-OAFZBRQQSA-N 0 3 367.490 0.629 10 0 FCAEHN CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc(C)no1)C2 ZINC001686226787 1292839362 /nfs/dbraw/zinc/83/93/62/1292839362.db2.gz HQCUWBVYAZGSFX-KFWWJZLASA-N 0 3 363.462 0.901 10 0 FCAEHN CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1nccnc1N)C2)N(C)C ZINC001686299147 1292888989 /nfs/dbraw/zinc/88/89/89/1292888989.db2.gz KHFNULQCLFUQKE-LXIYXOSZSA-N 0 3 360.462 0.510 10 0 FCAEHN CN(CCCNC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)[C@H]1CCCCN1C ZINC001687635285 1292996727 /nfs/dbraw/zinc/99/67/27/1292996727.db2.gz RLQVKYIGMKECBU-BZUAXINKSA-N 0 3 361.490 0.973 10 0 FCAEHN NS(=O)(=O)c1ccc(CCNC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000745254865 836126268 /nfs/dbraw/zinc/12/62/68/836126268.db2.gz KGWHZDFHSKULTO-HNNXBMFYSA-N 0 3 364.471 0.532 10 0 FCAEHN COC(=O)c1cc(S(=O)(=O)N2C[C@]3(C)CN(C)C[C@@]3(C)C2)cn1C ZINC000824179854 836520296 /nfs/dbraw/zinc/52/02/96/836520296.db2.gz NTPOTICCPHXGMT-HOTGVXAUSA-N 0 3 355.460 0.774 10 0 FCAEHN O=C1CN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CN1CC(F)(F)F ZINC000828286421 836539433 /nfs/dbraw/zinc/53/94/33/836539433.db2.gz NXYJWLAGJWLJKZ-LBPRGKRZSA-N 0 3 355.382 0.466 10 0 FCAEHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC3(CO[C@H](CNCCF)C3)CC2)C1 ZINC001276921310 861692945 /nfs/dbraw/zinc/69/29/45/861692945.db2.gz KLJVZVQGMCFPFJ-ILXRZTDVSA-N 0 3 355.454 0.845 10 0 FCAEHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCCC1(C)C ZINC001117223466 846926221 /nfs/dbraw/zinc/92/62/21/846926221.db2.gz SEROQYVHTDLWKO-CQSZACIVSA-N 0 3 352.479 0.446 10 0 FCAEHN NC(=O)C1CCC(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC001117270790 846933291 /nfs/dbraw/zinc/93/32/91/846933291.db2.gz LJLCIBUNGAGXLC-NRXISQOPSA-N 0 3 350.463 0.234 10 0 FCAEHN CN1CCN(C[C@@H](O)CNCc2cccc(OCC(F)(F)F)n2)CC1 ZINC001118155394 847300638 /nfs/dbraw/zinc/30/06/38/847300638.db2.gz IKBMUOOKKXQQJN-AWEZNQCLSA-N 0 3 362.396 0.721 10 0 FCAEHN COC1CC(CCNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC001118504621 847451649 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/nfs/dbraw/zinc/91/88/15/491918815.db2.gz PCVBGSZPIVEEQY-KBPBESRZSA-N 0 3 350.463 0.104 10 0 FCAEHN COCCN(C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1)[C@@H]1CCOC1 ZINC000612446798 491918941 /nfs/dbraw/zinc/91/89/41/491918941.db2.gz XDKNVYRZTJWHLI-NVXWUHKLSA-N 0 3 367.490 0.774 10 0 FCAEHN O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000612447017 491919017 /nfs/dbraw/zinc/91/90/17/491919017.db2.gz ZZEXTBPEVNBKOP-BEFAXECRSA-N 0 3 365.474 0.528 10 0 FCAEHN O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000612447020 491919155 /nfs/dbraw/zinc/91/91/55/491919155.db2.gz ZZEXTBPEVNBKOP-KXBFYZLASA-N 0 3 365.474 0.528 10 0 FCAEHN O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000612447279 491919523 /nfs/dbraw/zinc/91/95/23/491919523.db2.gz OINLNPAXDOJLIC-HOTGVXAUSA-N 0 3 374.489 0.650 10 0 FCAEHN CNC(=O)CCOC1CCN([C@@H]2CCCN(CCC(=O)OC)C2=O)CC1 ZINC000595337671 491921453 /nfs/dbraw/zinc/92/14/53/491921453.db2.gz ZJESEUYHBUSQIB-OAHLLOKOSA-N 0 3 369.462 0.158 10 0 FCAEHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000612480077 491923471 /nfs/dbraw/zinc/92/34/71/491923471.db2.gz GSCMJQYJEPEIBC-JKSUJKDBSA-N 0 3 362.478 0.363 10 0 FCAEHN COC(=O)C1(CS(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)CCCC1 ZINC000595384339 491926158 /nfs/dbraw/zinc/92/61/58/491926158.db2.gz IXFILQPPYXCUKH-HNNXBMFYSA-N 0 3 374.503 0.581 10 0 FCAEHN COC(=O)c1cncc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c1 ZINC000595384744 491926499 /nfs/dbraw/zinc/92/64/99/491926499.db2.gz MDKNXLNFJDBGRS-CQSZACIVSA-N 0 3 369.443 0.088 10 0 FCAEHN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595385251 491926975 /nfs/dbraw/zinc/92/69/75/491926975.db2.gz XKMHRUSTPBNWQS-BZUAXINKSA-N 0 3 374.503 0.579 10 0 FCAEHN CN(CCCN1CCN(C)CC1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595400370 491928705 /nfs/dbraw/zinc/92/87/05/491928705.db2.gz GDJOSEDWOQKNDP-MRXNPFEDSA-N 0 3 368.522 0.498 10 0 FCAEHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2c(C(F)(F)F)cnn2C)CC1 ZINC000612525003 491929366 /nfs/dbraw/zinc/92/93/66/491929366.db2.gz ZWLIKVRNWDGQNZ-GFCCVEGCSA-N 0 3 373.379 0.818 10 0 FCAEHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000612543895 491931919 /nfs/dbraw/zinc/93/19/19/491931919.db2.gz TWSUPPCIALVJOC-HNNXBMFYSA-N 0 3 374.489 0.536 10 0 FCAEHN CCOC(=O)C1(COC)CCN(C(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000601544129 491933122 /nfs/dbraw/zinc/93/31/22/491933122.db2.gz YVDPKVHZDBSHLB-UHFFFAOYSA-N 0 3 366.462 0.877 10 0 FCAEHN COC(=O)CCN1CCC[C@H]([NH+]2CCC(c3n[n-]c(=O)o3)CC2)C1=O ZINC000595473271 491934881 /nfs/dbraw/zinc/93/48/81/491934881.db2.gz WBMFWCHVGIMLMK-LBPRGKRZSA-N 0 3 352.391 0.509 10 0 FCAEHN COC(=O)CCN1CCC[C@H](N2CCN(C3CCOCC3)C[C@H]2C)C1=O ZINC000595481995 491935869 /nfs/dbraw/zinc/93/58/69/491935869.db2.gz QJFSZLCDUWVIAQ-WBVHZDCISA-N 0 3 367.490 0.726 10 0 FCAEHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCO[C@H](C2CCC2)C1 ZINC000612594740 491936573 /nfs/dbraw/zinc/93/65/73/491936573.db2.gz FKQSRBIOBKDVEK-IRXDYDNUSA-N 0 3 365.474 0.383 10 0 FCAEHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CC[C@H](OC(F)F)C1 ZINC000612595016 491936831 /nfs/dbraw/zinc/93/68/31/491936831.db2.gz IBXGLNDSUMXHTN-STQMWFEESA-N 0 3 361.389 0.196 10 0 FCAEHN COC(=O)CCN1CCC[C@@H](N2CCC([C@@H]3NC(=O)C3(C)C)CC2)C1=O ZINC000595505333 491938138 /nfs/dbraw/zinc/93/81/38/491938138.db2.gz PYNCPBNJKAZEQJ-ZBFHGGJFSA-N 0 3 365.474 0.777 10 0 FCAEHN CCOC(=O)C1(CC(=O)NC[C@H]2CCCCN2CCO)CCOCC1 ZINC000601612181 491938799 /nfs/dbraw/zinc/93/87/99/491938799.db2.gz KYMWLNPGEXZDFE-OAHLLOKOSA-N 0 3 356.463 0.699 10 0 FCAEHN COC(=O)C[C@@H](CNC(=O)NC[C@H](C)CN1CCN(C)CC1)C1CC1 ZINC000595550349 491941770 /nfs/dbraw/zinc/94/17/70/491941770.db2.gz HCFUTFKBBPDSGN-HOCLYGCPSA-N 0 3 354.495 0.758 10 0 FCAEHN COC(=O)[C@H]1C[C@@H](N(C)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000595550564 491941846 /nfs/dbraw/zinc/94/18/46/491941846.db2.gz CCSQZCSBXZDNJV-QLFBSQMISA-N 0 3 368.478 0.522 10 0 FCAEHN COC(=O)CCN1CCC[C@H](N2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)C1=O ZINC000595561898 491942804 /nfs/dbraw/zinc/94/28/04/491942804.db2.gz PYJMANOEIWGRON-ZNMIVQPWSA-N 0 3 352.431 0.672 10 0 FCAEHN COC(=O)[C@@H]1OCC[C@@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000595669402 491947905 /nfs/dbraw/zinc/94/79/05/491947905.db2.gz IFYMAEFWJAWZOY-WMLDXEAASA-N 0 3 362.430 0.040 10 0 FCAEHN CC(C)(C)OC(=O)[C@]1(NCC(=O)NC2CCN(C3CC3)CC2)CCOC1 ZINC000595730419 491950431 /nfs/dbraw/zinc/95/04/31/491950431.db2.gz HUXHXEGNGHAQSH-IBGZPJMESA-N 0 3 367.490 0.820 10 0 FCAEHN CCOC(=O)C1CCN(C(=O)CN(C)C[C@H]2CCC3(CNC3)O2)CC1 ZINC000595890394 491959250 /nfs/dbraw/zinc/95/92/50/491959250.db2.gz CWSIBCMWEQIISO-OAHLLOKOSA-N 0 3 353.463 0.241 10 0 FCAEHN COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000595947789 491964016 /nfs/dbraw/zinc/96/40/16/491964016.db2.gz HYCNTCMSGSOQSS-SJORKVTESA-N 0 3 362.474 0.199 10 0 FCAEHN Cn1ccnc1COCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000613087178 491966121 /nfs/dbraw/zinc/96/61/21/491966121.db2.gz GFALBIZQIGYROZ-QZTJIDSGSA-N 0 3 372.469 0.936 10 0 FCAEHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CC1(n2cnnn2)CCOCC1 ZINC000613128897 491968692 /nfs/dbraw/zinc/96/86/92/491968692.db2.gz LELJTBAEZRQJSJ-CQSZACIVSA-N 0 3 350.467 0.758 10 0 FCAEHN C[C@H]1CN(C(=O)CN2CCN(C3CC3)C2=O)CC[C@H]1N1CCN(C)CC1 ZINC000613141916 491969429 /nfs/dbraw/zinc/96/94/29/491969429.db2.gz YXEFCOPYZJLLRO-DOTOQJQBSA-N 0 3 363.506 0.371 10 0 FCAEHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000613594767 491987467 /nfs/dbraw/zinc/98/74/67/491987467.db2.gz FAKYECSKQYQOJS-UHFFFAOYSA-N 0 3 351.403 0.151 10 0 FCAEHN COC(=O)Cc1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000596704896 491996286 /nfs/dbraw/zinc/99/62/86/491996286.db2.gz SSBVDPIYEKCFAW-UHFFFAOYSA-N 0 3 364.446 0.886 10 0 FCAEHN CCOC(=O)c1cnc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)n1C ZINC000596901223 492004643 /nfs/dbraw/zinc/00/46/43/492004643.db2.gz HMENCZVXGMNTPD-ZDUSSCGKSA-N 0 3 365.434 0.972 10 0 FCAEHN COc1cccc(CN(CCN(C)C)C(=O)[C@@H]2CCN=C3C2=NNN3C)c1 ZINC000613930866 492004683 /nfs/dbraw/zinc/00/46/83/492004683.db2.gz 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ZINC000614247897 492020742 /nfs/dbraw/zinc/02/07/42/492020742.db2.gz HUVGSQIIWOWSAJ-ILDUYXDCSA-N 0 3 362.352 0.506 10 0 FCAEHN CN1C[C@H](C(=O)N(C[C@@H](O)CC(C)(C)C)C2CCN(C)CC2)NC1=O ZINC000614442493 492030117 /nfs/dbraw/zinc/03/01/17/492030117.db2.gz KVULIRPSLOPDPK-LSDHHAIUSA-N 0 3 354.495 0.730 10 0 FCAEHN O=C(CCNC(=O)c1n[nH]c2ccccc21)NC[C@@H]1CN2CCN1CCC2 ZINC000614507953 492035140 /nfs/dbraw/zinc/03/51/40/492035140.db2.gz RGCYTRAWODPFRT-CQSZACIVSA-N 0 3 370.457 0.189 10 0 FCAEHN C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000604157696 492052108 /nfs/dbraw/zinc/05/21/08/492052108.db2.gz MAWHPLJYJFQSDI-WCQYABFASA-N 0 3 352.460 0.931 10 0 FCAEHN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N[C@@H](CO)CN(C)C)CCCC1 ZINC000614847229 492059963 /nfs/dbraw/zinc/05/99/63/492059963.db2.gz KLMJRZNDXWHNEZ-CQSZACIVSA-N 0 3 365.478 0.118 10 0 FCAEHN NS(=O)(=O)c1ccc(F)c(CNC(=O)NCCNc2ccncc2)c1 ZINC000604658361 492066540 /nfs/dbraw/zinc/06/65/40/492066540.db2.gz XYAWIZYLGFVDHR-UHFFFAOYSA-N 0 3 367.406 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/nfs/dbraw/zinc/40/92/43/870409243.db2.gz SKRXMJRIZIWCSD-OLZOCXBDSA-N 0 3 371.869 0.198 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@@H](O)C1 ZINC001343436316 870424562 /nfs/dbraw/zinc/42/45/62/870424562.db2.gz COFJPPRCUNZQHE-MNOVXSKESA-N 0 3 357.842 0.015 10 0 FCAEHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)COC)C[C@@H]1O ZINC001343448316 870432104 /nfs/dbraw/zinc/43/21/04/870432104.db2.gz KGCOCDMGTBESOT-ILXRZTDVSA-N 0 3 355.479 0.221 10 0 FCAEHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)CC2(C(F)(F)F)CC2)C[C@@H]1O ZINC001343452429 870435665 /nfs/dbraw/zinc/43/56/65/870435665.db2.gz KMVPXRDAQBIMNP-NEPJUHHUSA-N 0 3 365.396 0.747 10 0 FCAEHN Cc1c(C(=O)N2C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2)c(Cl)nn1C ZINC001343453890 870436779 /nfs/dbraw/zinc/43/67/79/870436779.db2.gz UOEIVNPTMIJDJM-NEPJUHHUSA-N 0 3 371.869 0.024 10 0 FCAEHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2c(C)cccc2F)C[C@@H]1O)N(C)C ZINC001343499926 870457301 /nfs/dbraw/zinc/45/73/01/870457301.db2.gz AWFXRGVQWTYPGW-KFWWJZLASA-N 0 3 351.422 0.776 10 0 FCAEHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2snnc2C2CC2)C[C@@H]1O)N(C)C ZINC001343502927 870460347 /nfs/dbraw/zinc/46/03/47/870460347.db2.gz VEUGBYVWLLLGBW-UTUOFQBUSA-N 0 3 367.475 0.057 10 0 FCAEHN CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@@H](O)C1 ZINC001343557611 870490561 /nfs/dbraw/zinc/49/05/61/870490561.db2.gz YCMURLBZSDXDCW-CABCVRRESA-N 0 3 351.451 0.106 10 0 FCAEHN CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)CCn2cccc2)[C@@H](O)C1)N(C)C ZINC001343662227 870542147 /nfs/dbraw/zinc/54/21/47/870542147.db2.gz IKDGGTQLULPTLL-VYDXJSESSA-N 0 3 350.463 0.152 10 0 FCAEHN COCCCN(C)CCNC(=O)C(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC001326869771 870543785 /nfs/dbraw/zinc/54/37/85/870543785.db2.gz XHTWUBHHNKFPSN-HNNXBMFYSA-N 0 3 355.479 0.679 10 0 FCAEHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)c2ncsc2C2CC2)[C@@H](O)C1 ZINC001343741408 870586752 /nfs/dbraw/zinc/58/67/52/870586752.db2.gz VSFSHCLSBBSLMA-OLZOCXBDSA-N 0 3 366.487 0.664 10 0 FCAEHN CC[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNCC(=O)NCC2CC2)C1 ZINC001327003731 870612005 /nfs/dbraw/zinc/61/20/05/870612005.db2.gz PEFNDKNOAFZYGE-XHSDSOJGSA-N 0 3 353.463 0.145 10 0 FCAEHN CCN(CC)CC(=O)N1C[C@H]2CCN(C(=O)CCCC(=O)NC)C[C@H]21 ZINC001343865547 870641781 /nfs/dbraw/zinc/64/17/81/870641781.db2.gz GCCFWFQGSPDUAA-HUUCEWRRSA-N 0 3 352.479 0.304 10 0 FCAEHN CCN(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)[C@@H]2C1 ZINC001343971491 870689713 /nfs/dbraw/zinc/68/97/13/870689713.db2.gz YAKVZEJUQBTCGF-CHWSQXEVSA-N 0 3 350.463 0.042 10 0 FCAEHN CN1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CN2CCCC2)C1 ZINC001344276287 870798097 /nfs/dbraw/zinc/79/80/97/870798097.db2.gz QSPCVUFQIGHWMH-GVDBMIGSSA-N 0 3 350.507 0.968 10 0 FCAEHN CCS(=O)(=O)C1(CNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC001327487459 870903705 /nfs/dbraw/zinc/90/37/05/870903705.db2.gz VTDRVQUEKGMLQH-ZDUSSCGKSA-N 0 3 359.492 0.094 10 0 FCAEHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC001327701434 871024609 /nfs/dbraw/zinc/02/46/09/871024609.db2.gz WDNKVBZGRNYGGJ-ZIAGYGMSSA-N 0 3 352.435 0.027 10 0 FCAEHN CS(=O)(=O)N1CCCC[C@H]1C(=O)OC[C@H]1CCN1C1CCOCC1 ZINC001344932846 871108514 /nfs/dbraw/zinc/10/85/14/871108514.db2.gz WFUQQWIMNXRWMM-CABCVRRESA-N 0 3 360.476 0.597 10 0 FCAEHN C[C@@H]1[C@@H](NC(=O)CNC(=O)C(C)(C)C)CCN1C(=O)[C@H]1CCCN1C ZINC001345350280 871294946 /nfs/dbraw/zinc/29/49/46/871294946.db2.gz KBHBIDPIDMNWFR-HZSPNIEDSA-N 0 3 352.479 0.349 10 0 FCAEHN COCc1cc(C(=O)N2CC[C@H](NC(=O)CN(C)C(C)C)[C@H]2C)no1 ZINC001345415251 871332452 /nfs/dbraw/zinc/33/24/52/871332452.db2.gz FCLGTAXZJUPRBA-OCCSQVGLSA-N 0 3 352.435 0.880 10 0 FCAEHN C[C@@H]1[C@@H](NC(=O)C2(N(C)C)CCC2)CCN1C(=O)CCS(C)(=O)=O ZINC001345419327 871334296 /nfs/dbraw/zinc/33/42/96/871334296.db2.gz MIOUAKNRILJLKR-OLZOCXBDSA-N 0 3 359.492 0.011 10 0 FCAEHN CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)[C@H]1C ZINC001345448144 871346719 /nfs/dbraw/zinc/34/67/19/871346719.db2.gz PXNQEAJOHCXCAW-QWQRMKEZSA-N 0 3 352.479 0.349 10 0 FCAEHN CCN(CC)C[C@@H](F)C(=O)N1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@H]1C ZINC001345657083 871449622 /nfs/dbraw/zinc/44/96/22/871449622.db2.gz RDGNOORQRRWJCA-UPJWGTAASA-N 0 3 354.430 0.133 10 0 FCAEHN O=C(Cc1cscc1C(=O)NCCN1CCC1)NCCN1CCC1 ZINC001328649037 871561177 /nfs/dbraw/zinc/56/11/77/871561177.db2.gz SRIRZWRIXZHTKC-UHFFFAOYSA-N 0 3 350.488 0.548 10 0 FCAEHN CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C ZINC001346092827 871641922 /nfs/dbraw/zinc/64/19/22/871641922.db2.gz FQBGXTZIIZHXTG-CHWSQXEVSA-N 0 3 350.467 0.168 10 0 FCAEHN CCN1CCN(C[C@H](C)CNC(=O)COCc2cc[nH]c(=O)c2)CC1 ZINC001328818187 871644713 /nfs/dbraw/zinc/64/47/13/871644713.db2.gz LDYULIWZZNQEQR-OAHLLOKOSA-N 0 3 350.463 0.694 10 0 FCAEHN CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001346116641 871653398 /nfs/dbraw/zinc/65/33/98/871653398.db2.gz FTTLXXBXOPJUED-RBSFLKMASA-N 0 3 354.495 0.452 10 0 FCAEHN O=C(NC[C@H]1CCN1C1CCCCC1)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001328831916 871655064 /nfs/dbraw/zinc/65/50/64/871655064.db2.gz AWUCMDPZWMWUSF-OAGGEKHMSA-N 0 3 351.447 0.136 10 0 FCAEHN CC(C)N(C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C ZINC001346120930 871655665 /nfs/dbraw/zinc/65/56/65/871655665.db2.gz PIPHAZOKPIIMDV-KFWWJZLASA-N 0 3 352.479 0.016 10 0 FCAEHN CC[C@H](C(=O)NC[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C)N(C)C ZINC001346137971 871664407 /nfs/dbraw/zinc/66/44/07/871664407.db2.gz OPYNKXQWZIQMDV-UXIGCNINSA-N 0 3 351.451 0.471 10 0 FCAEHN O=C(NC[C@H]1CCN1C1CCCC1)C(=O)N1CCC[C@@H](OCCO)C1 ZINC001328908172 871705094 /nfs/dbraw/zinc/70/50/94/871705094.db2.gz NQPUETZBLFMYPO-HZPDHXFCSA-N 0 3 353.463 0.119 10 0 FCAEHN O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N1CCC[C@@H](OCCO)C1 ZINC001328908174 871705515 /nfs/dbraw/zinc/70/55/15/871705515.db2.gz NQPUETZBLFMYPO-JKSUJKDBSA-N 0 3 353.463 0.119 10 0 FCAEHN CCN(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](C)C1 ZINC001346241991 871722514 /nfs/dbraw/zinc/72/25/14/871722514.db2.gz GTGDTHJHFVLZLI-CHWSQXEVSA-N 0 3 352.479 0.193 10 0 FCAEHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC001346246203 871725010 /nfs/dbraw/zinc/72/50/10/871725010.db2.gz XBWZWVKYXCFAFB-INIZCTEOSA-N 0 3 358.433 0.340 10 0 FCAEHN CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001346426514 871833359 /nfs/dbraw/zinc/83/33/59/871833359.db2.gz RHTXYZXCVVKKOP-MCIONIFRSA-N 0 3 354.451 0.037 10 0 FCAEHN CCCN(C)CC(=O)NCC[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C ZINC001346526016 871884642 /nfs/dbraw/zinc/88/46/42/871884642.db2.gz HRSZTSUELOXJPD-JLOCXQCDSA-N 0 3 351.491 0.821 10 0 FCAEHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1ccnc(F)c1 ZINC001329420801 872016577 /nfs/dbraw/zinc/01/65/77/872016577.db2.gz WBLFVYCMQBURJW-CQSZACIVSA-N 0 3 352.410 0.406 10 0 FCAEHN CCCN(CCN1CCCC1)C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 ZINC001346971607 872092511 /nfs/dbraw/zinc/09/25/11/872092511.db2.gz BIABLAYQWKAAEH-UHFFFAOYSA-N 0 3 369.491 0.465 10 0 FCAEHN CNC(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC001329830991 872291501 /nfs/dbraw/zinc/29/15/01/872291501.db2.gz OACYWVFPAQVNGG-ZFWWWQNUSA-N 0 3 350.463 0.104 10 0 FCAEHN Cc1sc(S(N)(=O)=O)cc1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC001347650094 872435095 /nfs/dbraw/zinc/43/50/95/872435095.db2.gz IGCQOVOWYUORCZ-NSHDSACASA-N 0 3 374.532 0.317 10 0 FCAEHN CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=COCCO1)N(C)C ZINC001347729629 872476734 /nfs/dbraw/zinc/47/67/34/872476734.db2.gz IMZDEXUYMBIWNE-NYTXWWLZSA-N 0 3 351.447 0.709 10 0 FCAEHN C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001330140404 872486744 /nfs/dbraw/zinc/48/67/44/872486744.db2.gz KTUKZABHFKKJDM-DZUCGIPZSA-N 0 3 350.463 0.766 10 0 FCAEHN O=C(CSc1nnnn1C1CC1)N[C@@H]1CCC[C@H]1N1CCC(O)CC1 ZINC001347941094 872536601 /nfs/dbraw/zinc/53/66/01/872536601.db2.gz BADKWKLVXDQLIG-ZIAGYGMSSA-N 0 3 366.491 0.594 10 0 FCAEHN Cn1cc(S(=O)(=O)[N-]CCC[NH+]2CCCC2)c(Br)n1 ZINC001330355063 872590819 /nfs/dbraw/zinc/59/08/19/872590819.db2.gz XDCCZBQIASIWDV-UHFFFAOYSA-N 0 3 351.270 0.947 10 0 FCAEHN Cc1c(Br)c(C(=O)NCCN(C)CCOCCO)nn1C ZINC001348132019 872605980 /nfs/dbraw/zinc/60/59/80/872605980.db2.gz PJWZTFSESINAEE-UHFFFAOYSA-N 0 3 363.256 0.162 10 0 FCAEHN CN(C)C[C@@H]1CN(C2=NS(=O)(=O)c3ccccc32)C[C@H]1CN(C)C ZINC001330338196 872582925 /nfs/dbraw/zinc/58/29/25/872582925.db2.gz KTOLTLLPZIGMNS-ZIAGYGMSSA-N 0 3 350.488 0.807 10 0 FCAEHN C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)ccc1F ZINC001348223732 872633226 /nfs/dbraw/zinc/63/32/26/872633226.db2.gz HFJSNKMSRBGJLB-MBNYWOFBSA-N 0 3 355.435 0.804 10 0 FCAEHN C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)ccc1F ZINC001348223732 872633231 /nfs/dbraw/zinc/63/32/31/872633231.db2.gz HFJSNKMSRBGJLB-MBNYWOFBSA-N 0 3 355.435 0.804 10 0 FCAEHN C[C@]1(C(F)F)CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCO1 ZINC001330636450 872743403 /nfs/dbraw/zinc/74/34/03/872743403.db2.gz OEPJNXJPRYPSRL-CXAGYDPISA-N 0 3 359.417 0.956 10 0 FCAEHN CN1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CCC1(C)C ZINC001348683546 872763525 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/nfs/dbraw/zinc/59/79/28/1209597928.db2.gz QSNKJHVWTQWNAD-OAHLLOKOSA-N 0 3 367.494 0.794 10 0 FCAEHN COC(=O)c1cccc(N2CC(=O)N(CN(C)CC3CN(C)C3)C2=O)c1 ZINC000853553057 1209598322 /nfs/dbraw/zinc/59/83/22/1209598322.db2.gz KBMNNTIBLOQJID-UHFFFAOYSA-N 0 3 360.414 0.693 10 0 FCAEHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000853588027 1209600600 /nfs/dbraw/zinc/60/06/00/1209600600.db2.gz ASMNJGJPRSWPIV-UHFFFAOYSA-N 0 3 373.461 0.429 10 0 FCAEHN Cn1cc(-c2ccnc(C3CCN(CCN4C(=O)CNC4=O)CC3)n2)cn1 ZINC000854102399 1209615580 /nfs/dbraw/zinc/61/55/80/1209615580.db2.gz HQRRBBRHNRYDKM-UHFFFAOYSA-N 0 3 369.429 0.608 10 0 FCAEHN CCN(C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)[C@@H]1CCN(C)C1 ZINC000855360331 1209666980 /nfs/dbraw/zinc/66/69/80/1209666980.db2.gz DYZKJTHIRBTMCC-GDBMZVCRSA-N 0 3 361.421 0.798 10 0 FCAEHN CN(C)CCN(CC(=O)N(C)C)C(=O)CC1(NC(=O)OC(C)(C)C)CC1 ZINC000855697591 1209679510 /nfs/dbraw/zinc/67/95/10/1209679510.db2.gz VUCSEOPTGONAQB-UHFFFAOYSA-N 0 3 370.494 0.912 10 0 FCAEHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(C(=O)Cn3cnnn3)C2)ccn1 ZINC000856664087 1209721423 /nfs/dbraw/zinc/72/14/23/1209721423.db2.gz YYAOSIOTERJYSR-MRXNPFEDSA-N 0 3 359.434 0.588 10 0 FCAEHN CCc1noc(C[C@]2(O)CCCN(CCC(=O)N(C)CC(=O)OC)C2)n1 ZINC000856673810 1209722502 /nfs/dbraw/zinc/72/25/02/1209722502.db2.gz DEKANZQYNOUBLB-QGZVFWFLSA-N 0 3 368.434 0.023 10 0 FCAEHN CCc1noc(C[C@@]2(O)CCCN(CCC(=O)N3CCN(C)CC3)C2)n1 ZINC000856676091 1209723775 /nfs/dbraw/zinc/72/37/75/1209723775.db2.gz FHUATXDEIQNZSB-SFHVURJKSA-N 0 3 365.478 0.166 10 0 FCAEHN Cn1nccc1C(NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccnn1C ZINC000858193027 1209779720 /nfs/dbraw/zinc/77/97/20/1209779720.db2.gz SQQABHXYOAGKFR-KGLIPLIRSA-N 0 3 373.461 0.405 10 0 FCAEHN CCN1CCN(CCCNC(=O)c2cnc3c(c2)NC(=O)CN3C)CC1 ZINC000858461936 1209791272 /nfs/dbraw/zinc/79/12/72/1209791272.db2.gz DXNPZYHARIQPSK-UHFFFAOYSA-N 0 3 360.462 0.227 10 0 FCAEHN CC[C@H](C)[C@@H]1CN(CCc2cn(C)nn2)CCN1CCc1cn(C)nn1 ZINC000859204215 1209813125 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CPWLHSAJBIOOQL-SCLBCKFNSA-N 0 3 360.414 0.834 10 0 FCAEHN CO[C@@H]1CN(C)[C@](C)(COC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1 ZINC000861347600 1209865508 /nfs/dbraw/zinc/86/55/08/1209865508.db2.gz KRTHYEHLVNISMW-YJBOKZPZSA-N 0 3 360.414 0.837 10 0 FCAEHN CO[C@H]1CN(C)[C@](C)(COC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1 ZINC000861347768 1209865710 /nfs/dbraw/zinc/86/57/10/1209865710.db2.gz LPHGQWRGTJZHHZ-PXAZEXFGSA-N 0 3 373.450 0.280 10 0 FCAEHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000861373957 1209865950 /nfs/dbraw/zinc/86/59/50/1209865950.db2.gz MZJAPKGHKDUVBO-FTLZPGDLSA-N 0 3 364.442 0.419 10 0 FCAEHN O=C(NCCOc1cccnc1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000861490856 1209868036 /nfs/dbraw/zinc/86/80/36/1209868036.db2.gz BWCNBFPFINYUJD-UHFFFAOYSA-N 0 3 356.382 0.697 10 0 FCAEHN COc1cnccc1N1CCN(C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)CC1 ZINC000861487402 1209868192 /nfs/dbraw/zinc/86/81/92/1209868192.db2.gz BIMXVSDCYUGSND-JNNRSPCRSA-N 0 3 373.409 0.459 10 0 FCAEHN O=C(NC[C@H]1CN(C2CC2)C(=O)O1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000861506333 1209868362 /nfs/dbraw/zinc/86/83/62/1209868362.db2.gz HRKVPHFCMDXYFA-AWEZNQCLSA-N 0 3 374.397 0.207 10 0 FCAEHN O=C(Nc1ccc2c(c1)OCCNC2)C(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC000861505617 1209868434 /nfs/dbraw/zinc/86/84/34/1209868434.db2.gz GZJRAWOUEZUTOZ-UHFFFAOYSA-N 0 3 370.409 0.504 10 0 FCAEHN C[C@@H](C(=O)N1CCN2CC[C@H]1C2)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000861861394 1209886299 /nfs/dbraw/zinc/88/62/99/1209886299.db2.gz SYEGGTDMKAVDKR-KBPBESRZSA-N 0 3 366.462 0.371 10 0 FCAEHN COc1cnccc1N1CCN(Cn2c3cnccc3n(C)c2=O)CC1 ZINC000794700618 1209961060 /nfs/dbraw/zinc/96/10/60/1209961060.db2.gz QDSMDJVIDDFVQK-UHFFFAOYSA-N 0 3 354.414 0.918 10 0 FCAEHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000864898545 1209967443 /nfs/dbraw/zinc/96/74/43/1209967443.db2.gz VAEGSKMVLRNUBK-UONOGXRCSA-N 0 3 368.478 0.711 10 0 FCAEHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)/C=C/COC1CCOCC1 ZINC000865106579 1209970709 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/nfs/dbraw/zinc/83/75/51/858837551.db2.gz SKFNVSIDBNWRCL-CYBMUJFWSA-N 0 3 353.492 0.464 10 0 FCAEHN COCCCN(C)CCNC(=O)C(=O)N1CCS[C@H](C(F)(F)F)C1 ZINC001262262314 858841772 /nfs/dbraw/zinc/84/17/72/858841772.db2.gz LIEUYRMISSSOII-NSHDSACASA-N 0 3 371.425 0.577 10 0 FCAEHN CCN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CS(C)(=O)=O ZINC001263792698 859213143 /nfs/dbraw/zinc/21/31/43/859213143.db2.gz UIKXYKJEYLQWRY-MGPQQGTHSA-N 0 3 361.508 0.162 10 0 FCAEHN Cc1csc(CN[C@@H]2CC[C@H](CNC(=O)CN3C(=O)CCC3=O)C2)n1 ZINC001263930419 859246731 /nfs/dbraw/zinc/24/67/31/859246731.db2.gz LUVOTEJGAGGIMV-QWHCGFSZSA-N 0 3 364.471 0.975 10 0 FCAEHN Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCNC3=O)C[C@H]2NC/C=C/Cl)cn1 ZINC001263941442 859250915 /nfs/dbraw/zinc/25/09/15/859250915.db2.gz VTMYNERLSYHHRB-PQVRPNIYSA-N 0 3 365.865 0.583 10 0 FCAEHN CCO[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1CNC/C(Cl)=C\Cl ZINC001263966873 859258832 /nfs/dbraw/zinc/25/88/32/859258832.db2.gz ZEOOIXZAPKWLCF-GGVMJJRJSA-N 0 3 363.249 0.445 10 0 FCAEHN CC(C)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)n1cncn1 ZINC001263986875 859268710 /nfs/dbraw/zinc/26/87/10/859268710.db2.gz WBHQPPZNNZKHBG-ILXRZTDVSA-N 0 3 350.467 0.580 10 0 FCAEHN CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001263994813 859272501 /nfs/dbraw/zinc/27/25/01/859272501.db2.gz DQHMWOLANIMGHV-KFWWJZLASA-N 0 3 352.479 0.208 10 0 FCAEHN C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CNC[C@@H](O)c2ccc(F)cc2F)C1 ZINC001264000328 859274994 /nfs/dbraw/zinc/27/49/94/859274994.db2.gz MQVXQCWMKTXJHD-IFUGULHKSA-N 0 3 355.385 0.700 10 0 FCAEHN CC[C@@H]1[C@@H](NC(=O)COC2CCCC2)CCN1CCN1CCNC1=O ZINC001264045934 859284875 /nfs/dbraw/zinc/28/48/75/859284875.db2.gz VDQSIEDVXOTKSF-JKSUJKDBSA-N 0 3 352.479 0.940 10 0 FCAEHN CCC(=O)NCC(=O)N[C@H]1CCN(C[C@H](O)CC(F)(F)F)[C@@H]1CC ZINC001264047838 859287328 /nfs/dbraw/zinc/28/73/28/859287328.db2.gz RZMBOHAYOANXTP-GRYCIOLGSA-N 0 3 353.385 0.795 10 0 FCAEHN CC[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CCN1CCCS(=O)(=O)N(C)C ZINC001264052886 859289847 /nfs/dbraw/zinc/28/98/47/859289847.db2.gz BSOOFAALJCBBDG-MPTYRVRUSA-N 0 3 373.519 0.274 10 0 FCAEHN CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C(F)(F)F)CCN1CCN1C(=O)CNC1=O ZINC001264061100 859294096 /nfs/dbraw/zinc/29/40/96/859294096.db2.gz YCGGTGRMBOOTBR-OUAUKWLOSA-N 0 3 364.368 0.706 10 0 FCAEHN CC[C@@H]1[C@@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)CCN1CCNS(C)(=O)=O ZINC001264065599 859296317 /nfs/dbraw/zinc/29/63/17/859296317.db2.gz XLWDFDOFPGFYOY-AEGPPILISA-N 0 3 371.507 0.107 10 0 FCAEHN COC[C@@H](OC)C(=O)N1C[C@H]2CCN(CCOCC(F)F)C[C@H]2C1 ZINC001264096823 859311108 /nfs/dbraw/zinc/31/11/08/859311108.db2.gz SXQLPVOHEMJJPF-HZSPNIEDSA-N 0 3 350.406 0.710 10 0 FCAEHN CCCNC(=O)NC(C)(C)C(=O)N[C@H]1CCN(C[C@H](O)COC)[C@@H]1C ZINC001264175196 859343318 /nfs/dbraw/zinc/34/33/18/859343318.db2.gz BDSBRIZWFZOWOK-RDBSUJKOSA-N 0 3 358.483 0.061 10 0 FCAEHN COCCOC[C@@H](O)CN1CC[C@H](NC(=O)c2ccnc(C)n2)[C@H]1C ZINC001264173835 859343830 /nfs/dbraw/zinc/34/38/30/859343830.db2.gz HODSJQJDHADXSR-SNPRPXQTSA-N 0 3 352.435 0.002 10 0 FCAEHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccsc1 ZINC001264296701 859349000 /nfs/dbraw/zinc/34/90/00/859349000.db2.gz OIRCFGNJVWDXGG-DGCLKSJQSA-N 0 3 362.459 0.575 10 0 FCAEHN C[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC/C=C\Cl)C1)n1cncn1 ZINC001264499734 859368556 /nfs/dbraw/zinc/36/85/56/859368556.db2.gz DLVRPNOAMJFWSJ-BUIWJWDYSA-N 0 3 363.853 0.909 10 0 FCAEHN COCCCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cnsn1 ZINC001264542523 859380186 /nfs/dbraw/zinc/38/01/86/859380186.db2.gz VTDOFEJOXWYFRR-OLZOCXBDSA-N 0 3 369.491 0.521 10 0 FCAEHN C[C@@H]1CCN(C(=O)CCCCNC(N)=O)[C@H](CNCC(=O)N(C)C)C1 ZINC001264554595 859383603 /nfs/dbraw/zinc/38/36/03/859383603.db2.gz PEXMCBMUYFPZNL-KGLIPLIRSA-N 0 3 355.483 0.130 10 0 FCAEHN C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C(=O)NCC(F)F)C(=O)N(C)C ZINC001264554724 859384168 /nfs/dbraw/zinc/38/41/68/859384168.db2.gz RYNNENNWBFCNAM-WOPDTQHZSA-N 0 3 362.421 0.061 10 0 FCAEHN CCNC(=O)CCCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H]1CCNC1=O ZINC001264564462 859386439 /nfs/dbraw/zinc/38/64/39/859386439.db2.gz SNTJMWRCYUFPOU-QLFBSQMISA-N 0 3 352.479 0.398 10 0 FCAEHN CC[C@@H]1[C@@H](NC(=O)CN(C)CC(C)(C)C)CCN1CC(=O)NC(N)=O ZINC001264618808 859402268 /nfs/dbraw/zinc/40/22/68/859402268.db2.gz UMJUABYPBPYVGD-QWHCGFSZSA-N 0 3 355.483 0.128 10 0 FCAEHN COCCOCC(=O)N1C[C@H]2CCN(CCO[C@H]3CC3(F)F)C[C@H]2C1 ZINC001264641884 859409083 /nfs/dbraw/zinc/40/90/83/859409083.db2.gz YLIQKZGZCOKTNG-ILXRZTDVSA-N 0 3 362.417 0.854 10 0 FCAEHN COCCOCC(=O)N1C[C@H]2CCN(CCO[C@@H]3CC3(F)F)C[C@H]2C1 ZINC001264641885 859411206 /nfs/dbraw/zinc/41/12/06/859411206.db2.gz YLIQKZGZCOKTNG-QLFBSQMISA-N 0 3 362.417 0.854 10 0 FCAEHN CCCC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2C1 ZINC001264650316 859413870 /nfs/dbraw/zinc/41/38/70/859413870.db2.gz MIYGTAQTRKLHHO-RDBSUJKOSA-N 0 3 350.463 0.076 10 0 FCAEHN COC[C@@H](O)CN1CC[C@H](NC(=O)c2c(C3CCC3)cnn2C)[C@H]1C ZINC001264701086 859425812 /nfs/dbraw/zinc/42/58/12/859425812.db2.gz GOUMLEVVGSYUAM-INWMFGNUSA-N 0 3 350.463 0.888 10 0 FCAEHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCN(CCOC[C@@H]2CCCO2)[C@@H]1C ZINC001264706707 859429925 /nfs/dbraw/zinc/42/99/25/859429925.db2.gz OFJRCLIEPIMAEX-RDBSUJKOSA-N 0 3 352.435 0.812 10 0 FCAEHN COCCOCCN1CC[C@H](NC(=O)[C@H]2CCCN(C(C)=O)C2)[C@H]1C ZINC001264710795 859432740 /nfs/dbraw/zinc/43/27/40/859432740.db2.gz XZZXDYRDVABMCU-PVAVHDDUSA-N 0 3 355.479 0.487 10 0 FCAEHN C[C@@H]1[C@@H](NC(=O)C2(CCF)CC2)CCN1CCCN1C(=O)CNC1=O ZINC001264713391 859434701 /nfs/dbraw/zinc/43/47/01/859434701.db2.gz YAEDVOCSFLNVMA-OLZOCXBDSA-N 0 3 354.426 0.647 10 0 FCAEHN CC(C)NC(=O)NCCN1CC[C@H](NC(=O)CCc2cn[nH]n2)[C@H]1C ZINC001264720518 859437355 /nfs/dbraw/zinc/43/73/55/859437355.db2.gz RNRKJNVWYNHUSN-OCCSQVGLSA-N 0 3 351.455 0.024 10 0 FCAEHN CC(C)NC(=O)NCCN1CC[C@H](NC(=O)CCc2c[nH]nn2)[C@H]1C ZINC001264720518 859437364 /nfs/dbraw/zinc/43/73/64/859437364.db2.gz RNRKJNVWYNHUSN-OCCSQVGLSA-N 0 3 351.455 0.024 10 0 FCAEHN COC[C@@H](O)CN1CC[C@H](NC(=O)c2csc(-c3nc[nH]n3)n2)[C@H]1C ZINC001264722569 859440385 /nfs/dbraw/zinc/44/03/85/859440385.db2.gz VHALJQZRUWBWGF-VWYCJHECSA-N 0 3 366.447 0.128 10 0 FCAEHN CCc1nc[nH]c1C(=O)N[C@H]1CCN(CCOCCNC(C)=O)[C@@H]1C ZINC001264729608 859442952 /nfs/dbraw/zinc/44/29/52/859442952.db2.gz XSZPQQSLZZNRKI-DOMZBBRYSA-N 0 3 351.451 0.317 10 0 FCAEHN CCOCCNC(=O)CN[C@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001265438970 859460343 /nfs/dbraw/zinc/46/03/43/859460343.db2.gz PXSAYPZKLUZFFG-DAYGRLMNSA-N 0 3 353.463 0.289 10 0 FCAEHN O=C(CN[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1)NCC(F)(F)F ZINC001265440590 859460367 /nfs/dbraw/zinc/46/03/67/859460367.db2.gz YRKAOZUQWFJKJJ-SCRDCRAPSA-N 0 3 363.380 0.671 10 0 FCAEHN CCn1ccc(CN[C@@H](C)CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)n1 ZINC001266163917 859473391 /nfs/dbraw/zinc/47/33/91/859473391.db2.gz PZWLMQZNRQMPJQ-NXNVCVFFSA-N 0 3 350.463 0.939 10 0 FCAEHN Cc1cc(NC(=O)CN[C@@H](C)CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)on1 ZINC001266175761 859473869 /nfs/dbraw/zinc/47/38/69/859473869.db2.gz SPSBCKVBACWWON-ASEORRQLSA-N 0 3 350.419 0.973 10 0 FCAEHN O=C(CN[C@H](CNC(=O)[C@]12C[C@H]1COC2)C1CC1)NCc1cccs1 ZINC001266409370 859479978 /nfs/dbraw/zinc/47/99/78/859479978.db2.gz IKTGBINGJQDESB-JOQOYGCGSA-N 0 3 363.483 0.885 10 0 FCAEHN CCN(CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC1CCS(=O)(=O)CC1 ZINC001266403374 859480252 /nfs/dbraw/zinc/48/02/52/859480252.db2.gz PFCWEMMAGCJOMO-ALYAQQCSSA-N 0 3 370.515 0.673 10 0 FCAEHN Cc1nnc(NC(=O)CN[C@H]2C[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)s1 ZINC001266593693 859486407 /nfs/dbraw/zinc/48/64/07/859486407.db2.gz SHIMXQSHADSWFU-VEABSNGSSA-N 0 3 351.432 0.058 10 0 FCAEHN CC(C)C[C@@H]1C[C@H]1C(=O)N(C)CCNCc1cc(=O)n(C)c(=O)n1C ZINC001266839373 859492301 /nfs/dbraw/zinc/49/23/01/859492301.db2.gz ZDSJYMBICUNHKQ-UKRRQHHQSA-N 0 3 350.463 0.314 10 0 FCAEHN CN(CCNCCNS(C)(=O)=O)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001266882765 859492543 /nfs/dbraw/zinc/49/25/43/859492543.db2.gz OGZYUWVCKQALNT-WBVHZDCISA-N 0 3 353.488 0.777 10 0 FCAEHN C[C@@H](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCC(=O)Nc1nncs1 ZINC001267136567 859497900 /nfs/dbraw/zinc/49/79/00/859497900.db2.gz WMZRPYJBSKHTLI-RXSPXGNFSA-N 0 3 365.459 0.384 10 0 FCAEHN C[C@H](NCCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)NCC(F)(F)F ZINC001267405599 859505396 /nfs/dbraw/zinc/50/53/96/859505396.db2.gz UKNSYZZLONKWEN-FQIARQCESA-N 0 3 363.380 0.525 10 0 FCAEHN CC[C@@H]1C[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC001267429591 859507647 /nfs/dbraw/zinc/50/76/47/859507647.db2.gz HYGUVBVKAJPQLX-HBNTYKKESA-N 0 3 366.384 0.857 10 0 FCAEHN CCOCCCN1CC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001267745329 859514639 /nfs/dbraw/zinc/51/46/39/859514639.db2.gz MDEQRRAYQCUACW-UPJWGTAASA-N 0 3 354.369 0.950 10 0 FCAEHN CCN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CCN(CCOCCNC(C)=O)C1 ZINC001267787303 859517073 /nfs/dbraw/zinc/51/70/73/859517073.db2.gz ZOYVFBXYUZOFPP-JZXOWHBKSA-N 0 3 353.463 0.098 10 0 FCAEHN C[C@H](CNCc1ccn(CC(F)(F)F)n1)CNC(=O)[C@H]1C[C@H]1C(N)=O 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CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1cnn(C)c1C)N(C)C ZINC001686057395 1292750858 /nfs/dbraw/zinc/75/08/58/1292750858.db2.gz RNDQFPASFSSXGB-TWMKSMIVSA-N 0 3 361.490 0.859 10 0 FCAEHN CCN(CC)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCNC(=O)CC1)C2 ZINC001686058969 1292751356 /nfs/dbraw/zinc/75/13/56/1292751356.db2.gz RHFKUWBMBHRLNK-WCVJEAGWSA-N 0 3 364.490 0.493 10 0 FCAEHN Cc1noc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCN2C)n1 ZINC001686065621 1292754783 /nfs/dbraw/zinc/75/47/83/1292754783.db2.gz FHEWORKGYDWTLB-CBBWQLFWSA-N 0 3 361.446 0.653 10 0 FCAEHN CC(C)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C1CC1)C2 ZINC001686125165 1292777441 /nfs/dbraw/zinc/77/74/41/1292777441.db2.gz KQLBCICUBRTOTF-KFWWJZLASA-N 0 3 350.463 0.101 10 0 FCAEHN CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001686182261 1292803526 /nfs/dbraw/zinc/80/35/26/1292803526.db2.gz NSILQBDOZGXIPD-TUVASFSCSA-N 0 3 350.463 0.245 10 0 FCAEHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1cc(C)on1)C2)N(C)C ZINC001686187129 1292808318 /nfs/dbraw/zinc/80/83/18/1292808318.db2.gz HQMGJSLAMUCXFW-KBXIAJHMSA-N 0 3 364.446 0.950 10 0 FCAEHN CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COC[C@H]1CCCO1 ZINC001686185706 1292809256 /nfs/dbraw/zinc/80/92/56/1292809256.db2.gz SCDSESQWSXXODR-VQHPVUNQSA-N 0 3 367.490 0.770 10 0 FCAEHN CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1nc(C)no1)N(C)C ZINC001686197176 1292817119 /nfs/dbraw/zinc/81/71/19/1292817119.db2.gz VVYBFAKZISXJJW-TUVASFSCSA-N 0 3 363.462 0.899 10 0 FCAEHN CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(=O)n(C)c1)N(C)C ZINC001686196981 1292817548 /nfs/dbraw/zinc/81/75/48/1292817548.db2.gz NRDCYIVEQOYOQB-FPCVCCKLSA-N 0 3 360.458 0.587 10 0 FCAEHN CCCN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc(=O)n1C ZINC001686225877 1292836395 /nfs/dbraw/zinc/83/63/95/1292836395.db2.gz SSHMGNMDUNGHJY-KFWWJZLASA-N 0 3 360.458 0.589 10 0 FCAEHN 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CCN(CC)CC(=O)NC[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001688068098 1293038881 /nfs/dbraw/zinc/03/88/81/1293038881.db2.gz JYIHKMHUUZSQNC-OAGGEKHMSA-N 0 3 366.506 0.585 10 0 FCAEHN