smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCc1ccc(Br)s1)NC[C@@H](O)CN1CCCCC1 ZINC000049175396 531733229 /nfs/dbraw/zinc/73/32/29/531733229.db2.gz NATXQFRPSGMZLO-GFCCVEGCSA-N 0 3 390.347 2.199 10 0 GEAEHN COc1cc(Br)c(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1OC ZINC000171906789 531924675 /nfs/dbraw/zinc/92/46/75/531924675.db2.gz LXCMROREPZRYJE-CYBMUJFWSA-N 0 3 398.301 2.456 10 0 GEAEHN Cn1cc([C@@H]2CCN(C[C@H](O)COc3cccc(Br)c3)C2)cn1 ZINC000172056688 531932679 /nfs/dbraw/zinc/93/26/79/531932679.db2.gz ACNHOMSKYADUBS-CJNGLKHVSA-N 0 3 380.286 2.412 10 0 GEAEHN CN(C)C[C@@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)CCO1 ZINC000109133090 531942972 /nfs/dbraw/zinc/94/29/72/531942972.db2.gz PXFFSDSTIOTOIZ-OAHLLOKOSA-N 0 3 395.301 2.185 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)NCC2(c3ccccc3Br)CC2)CCO1 ZINC000121094307 532013199 /nfs/dbraw/zinc/01/31/99/532013199.db2.gz PUTYLVRVRCTDDH-CQSZACIVSA-N 0 3 396.329 2.453 10 0 GEAEHN O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[C@H](N2CCOCC2)C1 ZINC000173948971 532044399 /nfs/dbraw/zinc/04/43/99/532044399.db2.gz BHOOMVROUTYYLI-GJZGRUSLSA-N 0 3 375.296 2.140 10 0 GEAEHN CN(C)C[C@@H]1CN(Cc2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000179219556 532225756 /nfs/dbraw/zinc/22/57/56/532225756.db2.gz AVPXAEGJONDWPZ-QGZVFWFLSA-N 0 3 379.302 2.397 10 0 GEAEHN CC(C)C[C@@H]1N[C@H](C(=O)NCCN2CCOCC2)Cc2cn(C)c3cccc1c23 ZINC000049171480 291113925 /nfs/dbraw/zinc/11/39/25/291113925.db2.gz FHMJNJWUGOKAFW-PMACEKPBSA-N 0 3 398.551 2.228 10 0 GEAEHN CN(C)C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCO1 ZINC000151202249 532308438 /nfs/dbraw/zinc/30/84/38/532308438.db2.gz LHDAKLOEMNZTTL-JTQLQIEISA-N 0 3 386.823 2.310 10 0 GEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000183548210 532326084 /nfs/dbraw/zinc/32/60/84/532326084.db2.gz LIEZJXCHVVDCLX-DOMZBBRYSA-N 0 3 385.295 2.444 10 0 GEAEHN O[C@H](COc1cccc(Br)c1)CN1CCC(Cn2cncn2)CC1 ZINC000186225288 532340235 /nfs/dbraw/zinc/34/02/35/532340235.db2.gz VPZIMURMUJVUDT-INIZCTEOSA-N 0 3 395.301 2.193 10 0 GEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@@H]2CSCCS2)C1 ZINC000190724301 532357577 /nfs/dbraw/zinc/35/75/77/532357577.db2.gz PQCLHQPFLOQELA-DLBZAZTESA-N 0 3 380.583 2.394 10 0 GEAEHN CN(C)[C@H]1CCN(C(=O)c2nc(Br)ccc2Br)C1 ZINC000191184122 532359915 /nfs/dbraw/zinc/35/99/15/532359915.db2.gz KUXMKGZWLDDNGV-QMMMGPOBSA-N 0 3 377.080 2.383 10 0 GEAEHN CN1CCO[C@@H](CNCc2cc(Br)cc(Br)c2N)C1 ZINC000187341545 532344031 /nfs/dbraw/zinc/34/40/31/532344031.db2.gz QEMCDJCETCIFHJ-NSHDSACASA-N 0 3 393.123 2.214 10 0 GEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000246626596 532542639 /nfs/dbraw/zinc/54/26/39/532542639.db2.gz SMANHJHJIGTGQL-IINYFYTJSA-N 0 3 386.265 2.372 10 0 GEAEHN C[C@@H]1CN([C@H](CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)c2cccs2)CCO1 ZINC000246082359 532530091 /nfs/dbraw/zinc/53/00/91/532530091.db2.gz VHCWAUZEUFTQIM-HPFXQQBRSA-N 0 3 386.583 2.455 10 0 GEAEHN O=C(CN[C@@H]1CCC[C@H]1[C@H]1COCCN1)Nc1ccc(Br)cc1 ZINC000261987101 532581607 /nfs/dbraw/zinc/58/16/07/532581607.db2.gz SENDGEWXSOAVKV-BZUAXINKSA-N 0 3 382.302 2.134 10 0 GEAEHN COc1ccc2c(c1)[C@@H]1C[C@@](C)(NC(=O)C1S(=O)(=O)c1ccc(F)cc1)O2 ZINC000004315423 204037609 /nfs/dbraw/zinc/03/76/09/204037609.db2.gz GJKPWCBSLUIPLX-IEZWGBDMSA-N 0 3 391.420 2.389 10 0 GEAEHN CN(C)c1ccc(CC(C)(C)[NH2+]C[C@@H](O)c2ccc([O-])c3c2OCC(=O)N3)cc1 ZINC000003955277 204022951 /nfs/dbraw/zinc/02/29/51/204022951.db2.gz FNMOMTFGHRIZRH-GOSISDBHSA-N 0 3 399.491 2.433 10 0 GEAEHN Cc1cccc(OCCc2nnc(NC(=O)[C@H]3CCCN(CCO)C3)s2)c1 ZINC000055072967 205141960 /nfs/dbraw/zinc/14/19/60/205141960.db2.gz MFLVKNJIVQGXSE-HNNXBMFYSA-N 0 3 390.509 2.111 10 0 GEAEHN COc1ccc([C@@H](NC2CCN(S(C)(=O)=O)CC2)c2ccncc2)cc1 ZINC000067514705 205248021 /nfs/dbraw/zinc/24/80/21/205248021.db2.gz KHKHNZHJGNTPRI-LJQANCHMSA-N 0 3 375.494 2.193 10 0 GEAEHN COC(=O)C[C@@H]1N[C@@H](c2ccccc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000100128142 205384810 /nfs/dbraw/zinc/38/48/10/205384810.db2.gz WKDOKAJMYXLYHS-RNQOJCNYSA-N 0 3 378.428 2.064 10 0 GEAEHN Clc1ccc2nc(N3CCOCC3)cc(NCCN3CCOCC3)c2c1 ZINC000253495300 206148671 /nfs/dbraw/zinc/14/86/71/206148671.db2.gz XMIVZIIPBDBASA-UHFFFAOYSA-N 0 3 376.888 2.469 10 0 GEAEHN CCCCN1c2cccnc2S[C@H](CC(=O)N2CCCN(C)CC2)C1=O ZINC000065172279 136159886 /nfs/dbraw/zinc/15/98/86/136159886.db2.gz RPLWLVQDRWSCKV-MRXNPFEDSA-N 0 3 376.526 2.243 10 0 GEAEHN O=c1[nH]c(NCCCN2CCN(c3ccc(F)cc3)CC2)nc2c1CCCC2 ZINC000057343124 527440012 /nfs/dbraw/zinc/44/00/12/527440012.db2.gz AUXOEQGQOAJMOP-UHFFFAOYSA-N 0 3 385.487 2.412 10 0 GEAEHN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H]1CNC[C@H](C(=O)OC(C)(C)C)C1 ZINC000536960609 570470955 /nfs/dbraw/zinc/47/09/55/570470955.db2.gz SBDKOUYJEMEIHL-ARFHVFGLSA-N 0 3 383.533 2.247 10 0 GEAEHN O=C(NCCN1CCCC1)[C@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033019048 570631560 /nfs/dbraw/zinc/63/15/60/570631560.db2.gz FBIAQFJLMFMNTL-KRWDZBQOSA-N 0 3 392.507 2.311 10 0 GEAEHN CCN1CCC[C@@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000052552811 642721746 /nfs/dbraw/zinc/72/17/46/642721746.db2.gz PXICXTKUVAHZGY-CQSZACIVSA-N 0 3 383.290 2.171 10 0 GEAEHN COc1ccc(Br)cc1S(=O)(=O)N(C)C[C@H]1CCN(C)C1 ZINC000071192989 643059654 /nfs/dbraw/zinc/05/96/54/643059654.db2.gz CDECLJZIRBGPHQ-NSHDSACASA-N 0 3 377.304 2.030 10 0 GEAEHN CN(C(=O)c1cncc(Br)c1)C1CCN(CCn2cccn2)CC1 ZINC000109292451 643292321 /nfs/dbraw/zinc/29/23/21/643292321.db2.gz DDKBSJMZYJVALP-UHFFFAOYSA-N 0 3 392.301 2.277 10 0 GEAEHN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116797428 643469926 /nfs/dbraw/zinc/46/99/26/643469926.db2.gz LXZAODIPNRGYLI-WCQYABFASA-N 0 3 389.265 2.145 10 0 GEAEHN CN(C)C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000116900898 643475687 /nfs/dbraw/zinc/47/56/87/643475687.db2.gz BEMBZXCJDJHZMY-NSHDSACASA-N 0 3 397.722 2.054 10 0 GEAEHN CCN1CCC[C@@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000130602018 643844896 /nfs/dbraw/zinc/84/48/96/643844896.db2.gz GWJPSPBMTZNBKE-CYBMUJFWSA-N 0 3 378.274 2.244 10 0 GEAEHN Cc1nn(CN2CCO[C@H](CN(C)C)C2)c(=S)n1CCc1cccs1 ZINC000152994599 643977188 /nfs/dbraw/zinc/97/71/88/643977188.db2.gz OJIWGZLYLLRCOU-OAHLLOKOSA-N 0 3 381.571 2.247 10 0 GEAEHN Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)nnn1-c1cccc(Br)c1 ZINC000195336495 645372122 /nfs/dbraw/zinc/37/21/22/645372122.db2.gz IOFRCXXQYPBBKH-OAHLLOKOSA-N 0 3 390.285 2.258 10 0 GEAEHN C[C@H]1CN2CCC[C@H]2CN1CN1c2ccc(Br)cc2C(=O)C1=O ZINC000247059614 645503186 /nfs/dbraw/zinc/50/31/86/645503186.db2.gz LVIVAIZFUBVIFW-AAEUAGOBSA-N 0 3 378.270 2.104 10 0 GEAEHN O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[C@@H](N2CCOCC2)C1 ZINC000247227257 645508262 /nfs/dbraw/zinc/50/82/62/645508262.db2.gz WQBRMCPTGCUAQX-CABCVRRESA-N 0 3 375.296 2.140 10 0 GEAEHN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNCc2ccc(Br)cn2)C1 ZINC000702782778 653320196 /nfs/dbraw/zinc/32/01/96/653320196.db2.gz FOOYXZMVCONWEV-FZMZJTMJSA-N 0 3 386.290 2.162 10 0 GEAEHN CC(C)N1C[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[C@@H](C)C1 ZINC000155677866 531697059 /nfs/dbraw/zinc/69/70/59/531697059.db2.gz JYBTZYNOYHOYLI-WFASDCNBSA-N 0 3 387.933 2.049 10 0 GEAEHN CN(C)C[C@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000047527423 531715218 /nfs/dbraw/zinc/71/52/18/531715218.db2.gz YVSMCWIUGAOUMO-HNNXBMFYSA-N 0 3 378.270 2.030 10 0 GEAEHN O=C(NCc1ccc(Br)s1)NC[C@@H](O)CN1CCCCC1 ZINC000049190420 531734313 /nfs/dbraw/zinc/73/43/13/531734313.db2.gz KUNDLLMYTHRIFT-LLVKDONJSA-N 0 3 376.320 2.157 10 0 GEAEHN O[C@H](COc1cccc(Br)c1)CN1CCC[C@H](n2cncn2)C1 ZINC000171525220 531908334 /nfs/dbraw/zinc/90/83/34/531908334.db2.gz VLSPXDINAGWKNG-GJZGRUSLSA-N 0 3 381.274 2.117 10 0 GEAEHN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000172124249 531934863 /nfs/dbraw/zinc/93/48/63/531934863.db2.gz VKPWKULUSRGVSU-XJKSGUPXSA-N 0 3 384.318 2.352 10 0 GEAEHN Cc1ccc(O[C@H](C)C(=O)N2CCO[C@@H](CN(C)C)C2)c(Br)c1 ZINC000116783622 531961051 /nfs/dbraw/zinc/96/10/51/531961051.db2.gz OOPAUUSRNWMNMX-KGLIPLIRSA-N 0 3 385.302 2.314 10 0 GEAEHN O=C(CCN1CC[C@H](N2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000173907172 532042317 /nfs/dbraw/zinc/04/23/17/532042317.db2.gz GFTMASODKXQKDS-INIZCTEOSA-N 0 3 382.302 2.184 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000176906590 532154844 /nfs/dbraw/zinc/15/48/44/532154844.db2.gz BVWZKNNVILWEGJ-LBPRGKRZSA-N 0 3 398.301 2.339 10 0 GEAEHN CN(C)C(=O)CC1CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000182177178 532310038 /nfs/dbraw/zinc/31/00/38/532310038.db2.gz IFLVNSWMLYDKAY-INIZCTEOSA-N 0 3 399.329 2.379 10 0 GEAEHN C[C@H](CNCc1ccc(Br)cc1N1CCOCC1)N1CCOCC1 ZINC000188692413 532349150 /nfs/dbraw/zinc/34/91/50/532349150.db2.gz IFYZBWAUDBDWMC-OAHLLOKOSA-N 0 3 398.345 2.096 10 0 GEAEHN Cc1cccc(CNC(=O)NC[C@H](O)CN2CCCCC2)c1Br ZINC000190491544 532356398 /nfs/dbraw/zinc/35/63/98/532356398.db2.gz UAZCSYZNZDZSCN-HNNXBMFYSA-N 0 3 384.318 2.404 10 0 GEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000194162721 532442968 /nfs/dbraw/zinc/44/29/68/532442968.db2.gz DCJQTFRRHODCPD-CHWSQXEVSA-N 0 3 395.301 2.176 10 0 GEAEHN Cc1csc([C@H]2CCCN(CCOc3ccc(S(N)(=O)=O)cc3)C2)n1 ZINC000195327398 532474933 /nfs/dbraw/zinc/47/49/33/532474933.db2.gz LHBILGSDVFTHQH-AWEZNQCLSA-N 0 3 381.523 2.357 10 0 GEAEHN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCO[C@@H](CN(C)C)C1 ZINC000246241050 532535948 /nfs/dbraw/zinc/53/59/48/532535948.db2.gz DFSMIAZSXPMRJB-PBHICJAKSA-N 0 3 398.345 2.058 10 0 GEAEHN N[C@H](C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)C1CCOCC1 ZINC000262168640 532587800 /nfs/dbraw/zinc/58/78/00/532587800.db2.gz YLZXDEZFWHMHFM-GUYCJALGSA-N 0 3 396.329 2.146 10 0 GEAEHN COc1cc(CN2CCCCCC2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000039500319 205041744 /nfs/dbraw/zinc/04/17/44/205041744.db2.gz LURQPKYEQKHWEG-IBGZPJMESA-N 0 3 378.513 2.143 10 0 GEAEHN CN1CCC(N(CCc2ccccc2)C(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000063856505 205186951 /nfs/dbraw/zinc/18/69/51/205186951.db2.gz GHJDLOBYSJQNRF-UHFFFAOYSA-N 0 3 390.491 2.441 10 0 GEAEHN O[C@H](CNC[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2ccccc2O1 ZINC000065739637 205239071 /nfs/dbraw/zinc/23/90/71/205239071.db2.gz JMAVJQLYDMPPMQ-OSZJIOELSA-N 0 3 387.451 2.225 10 0 in-vitro GEAEHN O[C@@H](CNC[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2ccccc2O1 ZINC000065739640 205239426 /nfs/dbraw/zinc/23/94/26/205239426.db2.gz JMAVJQLYDMPPMQ-HXHBTQRASA-N 0 3 387.451 2.225 10 0 in-vitro GEAEHN CCN(CC)c1nc(N(C)C)nc(N2C(N)=C(c3ccccc3)C(=O)C2C)n1 ZINC000138772260 206132705 /nfs/dbraw/zinc/13/27/05/206132705.db2.gz VQHKXIALYMGSIG-DZGCQCFKSA-N 0 3 381.484 2.322 10 0 GEAEHN C[C@H](C(=O)NC[C@H]1CCCO1)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000583615013 570800142 /nfs/dbraw/zinc/80/01/42/570800142.db2.gz MELPXSTYIKFLHM-MGPQQGTHSA-N 0 3 388.434 2.080 10 0 GEAEHN O=C1CCCN1C[C@H](O)CN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000111691347 643345793 /nfs/dbraw/zinc/34/57/93/643345793.db2.gz KCPQDYOPYAZFEP-CQSZACIVSA-N 0 3 375.296 2.161 10 0 GEAEHN Cc1cccc(C(=O)N2CCO[C@@H](CN(C)C)C2)c1I ZINC000116789618 643469989 /nfs/dbraw/zinc/46/99/89/643469989.db2.gz DMXXPQGGIJTROV-LBPRGKRZSA-N 0 3 388.249 2.002 10 0 GEAEHN Cc1cc(S(=O)(=O)N2CCO[C@@H](CN(C)C)C2)c(C)cc1Br ZINC000116900464 643475653 /nfs/dbraw/zinc/47/56/53/643475653.db2.gz ZCDOILXFUSBOLT-ZDUSSCGKSA-N 0 3 391.331 2.017 10 0 GEAEHN COCCN1CCN(Cn2ccc(=O)c3cccc(Br)c32)C[C@H]1C ZINC000117322544 643487341 /nfs/dbraw/zinc/48/73/41/643487341.db2.gz LEUMJBCMDLYPBN-CQSZACIVSA-N 0 3 394.313 2.374 10 0 GEAEHN COC(=O)[C@@H]1CCCN(Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124185758 643682622 /nfs/dbraw/zinc/68/26/22/643682622.db2.gz ZXRZPLHGVVIPPZ-LLVKDONJSA-N 0 3 380.242 2.002 10 0 GEAEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000156847825 644121201 /nfs/dbraw/zinc/12/12/01/644121201.db2.gz UVSVGWTXRXAIIY-QWHCGFSZSA-N 0 3 386.901 2.374 10 0 GEAEHN COCCO[C@@H]1CCCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000179349422 644455638 /nfs/dbraw/zinc/45/56/38/644455638.db2.gz BWQRQDSNBTUPML-DOTOQJQBSA-N 0 3 388.302 2.316 10 0 GEAEHN C[C@H](NC[C@H](O)COc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000192930850 645231422 /nfs/dbraw/zinc/23/14/22/645231422.db2.gz OKTQLMNDUFPSKU-JSGCOSHPSA-N 0 3 384.885 2.078 10 0 GEAEHN Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CCC[N-]C(=O)C(F)(F)F)C1 ZINC000195254661 645366607 /nfs/dbraw/zinc/36/66/07/645366607.db2.gz HOWUCIXDLSOYMB-CYBMUJFWSA-N 0 3 378.464 2.274 10 0 GEAEHN Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](CCC[N-]C(=O)C(F)(F)F)C1 ZINC000195254661 645366611 /nfs/dbraw/zinc/36/66/11/645366611.db2.gz HOWUCIXDLSOYMB-CYBMUJFWSA-N 0 3 378.464 2.274 10 0 GEAEHN C[C@@H](NC(=O)[C@@H](N)C1CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000261860669 645606468 /nfs/dbraw/zinc/60/64/68/645606468.db2.gz SFEKQFWIHLRVQA-HWPZZCPQSA-N 0 3 399.285 2.151 10 0 GEAEHN CC(C)(C)OC(=O)N1C[C@@H](CNCc2ccc(Br)o2)[C@H](O)C1 ZINC000702764106 653319466 /nfs/dbraw/zinc/31/94/66/653319466.db2.gz PCZHFGLAQYKLBL-ZYHUDNBSSA-N 0 3 375.263 2.360 10 0 GEAEHN CN(C)Cc1ccc(N2CCN(C(=O)CSCC(F)(F)F)CC2)nc1 ZINC000153451968 531600114 /nfs/dbraw/zinc/60/01/14/531600114.db2.gz ABCOBRDPUPBMMW-UHFFFAOYSA-N 0 3 376.448 2.087 10 0 GEAEHN O=C(NC1CCN(C[C@H](O)COc2cccc(Br)c2)CC1)C1CC1 ZINC000030538930 531638879 /nfs/dbraw/zinc/63/88/79/531638879.db2.gz CMNZPGHTRXOBCJ-INIZCTEOSA-N 0 3 397.313 2.179 10 0 GEAEHN CCCNC(=O)C1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000042761035 531672497 /nfs/dbraw/zinc/67/24/97/531672497.db2.gz WBTOHDVRJGSDHA-MRXNPFEDSA-N 0 3 399.329 2.427 10 0 GEAEHN CN(C)C[C@@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)CCO1 ZINC000155370476 531680219 /nfs/dbraw/zinc/68/02/19/531680219.db2.gz MQHTVRLIFNINIV-CQSZACIVSA-N 0 3 381.274 2.262 10 0 GEAEHN CC(=O)NC[C@@H]1CCCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000067412134 531884820 /nfs/dbraw/zinc/88/48/20/531884820.db2.gz RRCMKIHJCQCRMC-HOCLYGCPSA-N 0 3 385.302 2.037 10 0 GEAEHN Cc1sc2ncnc(SCC(=O)N3CCO[C@@H](CN(C)C)C3)c2c1C ZINC000116784590 531959779 /nfs/dbraw/zinc/95/97/79/531959779.db2.gz OUSAFHQVNBPLFY-ZDUSSCGKSA-N 0 3 380.539 2.189 10 0 GEAEHN CN(C)C[C@H]1CN(c2ncnc3ccc(I)cc32)CCO1 ZINC000172757246 531966554 /nfs/dbraw/zinc/96/65/54/531966554.db2.gz WBSIHZCLMCTTSW-LBPRGKRZSA-N 0 3 398.248 2.001 10 0 GEAEHN Cc1ccc([C@@H](CN[C@H](C)C(=O)NCC(F)(F)F)N2CCOCC2)s1 ZINC000173645947 532024249 /nfs/dbraw/zinc/02/42/49/532024249.db2.gz XRWZFAHEBWFLRC-CHWSQXEVSA-N 0 3 379.448 2.086 10 0 GEAEHN O[C@@H](COc1cc(Cl)ccc1Cl)CN1CC[C@H](N2CCOCC2)C1 ZINC000173951346 532044435 /nfs/dbraw/zinc/04/44/35/532044435.db2.gz WQBRMCPTGCUAQX-LSDHHAIUSA-N 0 3 375.296 2.140 10 0 GEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cncc(I)c1 ZINC000125633933 532139849 /nfs/dbraw/zinc/13/98/49/532139849.db2.gz NCKJFKQBYJNEEY-UONOGXRCSA-N 0 3 385.249 2.385 10 0 GEAEHN O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCN2CCC[C@H]2C1 ZINC000176281949 532132631 /nfs/dbraw/zinc/13/26/31/532132631.db2.gz RQARTTREFZPOTN-NSHDSACASA-N 0 3 376.254 2.211 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000176898058 532154262 /nfs/dbraw/zinc/15/42/62/532154262.db2.gz SUBDUMLIOKDIFX-GFCCVEGCSA-N 0 3 386.265 2.469 10 0 GEAEHN CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177687496 532179671 /nfs/dbraw/zinc/17/96/71/532179671.db2.gz IWHFGIOFUDOYNU-ZDUSSCGKSA-N 0 3 396.285 2.093 10 0 GEAEHN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000178914916 532218096 /nfs/dbraw/zinc/21/80/96/532218096.db2.gz ZVDGVCSVCLLFGW-SSDOTTSWSA-N 0 3 375.210 2.484 10 0 GEAEHN CN(C)C[C@H]1CN(Cc2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000179219573 532225450 /nfs/dbraw/zinc/22/54/50/532225450.db2.gz AVPXAEGJONDWPZ-KRWDZBQOSA-N 0 3 379.302 2.397 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)Cc2cc(Cl)ccc2Br)CCO1 ZINC000134034208 532249201 /nfs/dbraw/zinc/24/92/01/532249201.db2.gz ZTBWMBRYMAHPNV-ZDUSSCGKSA-N 0 3 375.694 2.434 10 0 GEAEHN O=C(c1ccnc(Cl)c1I)N1CCN2CCC[C@H]2C1 ZINC000179659684 532239835 /nfs/dbraw/zinc/23/98/35/532239835.db2.gz YSFNERIWDRQZFF-VIFPVBQESA-N 0 3 391.640 2.260 10 0 GEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000190073628 532354692 /nfs/dbraw/zinc/35/46/92/532354692.db2.gz WODSLLKMJPRMPL-ZYHUDNBSSA-N 0 3 384.249 2.222 10 0 GEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000190099887 532354861 /nfs/dbraw/zinc/35/48/61/532354861.db2.gz UXYRBFJGIYHMFX-IUODEOHRSA-N 0 3 392.297 2.033 10 0 GEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000246289006 532537829 /nfs/dbraw/zinc/53/78/29/532537829.db2.gz CFUYIAKOPZNUJX-IINYFYTJSA-N 0 3 386.265 2.372 10 0 GEAEHN C[C@H](O)CN1CCN(Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000245718291 532523430 /nfs/dbraw/zinc/52/34/30/532523430.db2.gz HMMSWFFNOKROQK-STQMWFEESA-N 0 3 385.302 2.107 10 0 GEAEHN Brc1ccccc1-n1nnnc1CN1CCN2CCCC[C@H]2C1 ZINC000248367325 532551174 /nfs/dbraw/zinc/55/11/74/532551174.db2.gz TXPRCMRKGYGLHJ-ZDUSSCGKSA-N 0 3 377.290 2.095 10 0 GEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000249240869 532563084 /nfs/dbraw/zinc/56/30/84/532563084.db2.gz WODSLLKMJPRMPL-JQWIXIFHSA-N 0 3 384.249 2.222 10 0 GEAEHN COCCNC(=O)c1cn(C2CCN(CC[C@H](C)c3ccc(C)o3)CC2)nn1 ZINC000012245809 204386731 /nfs/dbraw/zinc/38/67/31/204386731.db2.gz MWISPJXETGWURX-HNNXBMFYSA-N 0 3 389.500 2.386 10 0 GEAEHN CN(Cc1ccccc1)C1(C(=O)N2CCC[C@H](C(N)=O)C2)Cc2ccccc2C1 ZINC000039362370 205039898 /nfs/dbraw/zinc/03/98/98/205039898.db2.gz KPDXZVFVFUAXFC-NRFANRHFSA-N 0 3 391.515 2.380 10 0 GEAEHN COCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(N3CC[NH2+]CC3)c2)cc1 ZINC000095577705 136182194 /nfs/dbraw/zinc/18/21/94/136182194.db2.gz WUZHRNQRXOPBCA-UHFFFAOYSA-N 0 3 391.493 2.052 10 0 GEAEHN CCN1CCC[C@H](NC(=O)NCC(=O)Nc2ccc(Br)cc2)C1 ZINC000052552809 642721851 /nfs/dbraw/zinc/72/18/51/642721851.db2.gz PXICXTKUVAHZGY-AWEZNQCLSA-N 0 3 383.290 2.171 10 0 GEAEHN CN(C)C[C@H]1CN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CCO1 ZINC000108951639 643285729 /nfs/dbraw/zinc/28/57/29/643285729.db2.gz NQNREVUAMVSAPD-AWEZNQCLSA-N 0 3 383.279 2.306 10 0 GEAEHN O=C1CCCN1C[C@@H](O)CN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000111691346 643346053 /nfs/dbraw/zinc/34/60/53/643346053.db2.gz KCPQDYOPYAZFEP-AWEZNQCLSA-N 0 3 375.296 2.161 10 0 GEAEHN Cc1cc(NC(=O)[C@@H](C)N[C@@H]2CCc3ncnn3C2)ccc1Br ZINC000112550218 643365293 /nfs/dbraw/zinc/36/52/93/643365293.db2.gz SQEHIMQGHYPEMR-DGCLKSJQSA-N 0 3 378.274 2.281 10 0 GEAEHN C[C@H](Cc1cccc(Br)c1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117039325 643480761 /nfs/dbraw/zinc/48/07/61/643480761.db2.gz DNRZFMIEIJIGSD-CZUORRHYSA-N 0 3 384.318 2.352 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(I)cc2)CCO1 ZINC000118789181 643522388 /nfs/dbraw/zinc/52/23/88/643522388.db2.gz NTRCVIOAZNZGDR-ZDUSSCGKSA-N 0 3 389.237 2.086 10 0 GEAEHN CC(=O)N1CCN(C(=O)[C@H](C)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000130934439 643855417 /nfs/dbraw/zinc/85/54/17/643855417.db2.gz OCVSSWCOKOJBQX-STQMWFEESA-N 0 3 382.302 2.179 10 0 GEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000173831005 644361457 /nfs/dbraw/zinc/36/14/57/644361457.db2.gz HRNCOQWGVWISTP-ZIAGYGMSSA-N 0 3 386.901 2.374 10 0 GEAEHN O[C@H](COc1c(Cl)cccc1Cl)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246921534 645498345 /nfs/dbraw/zinc/49/83/45/645498345.db2.gz JADAIJOBGHJNNX-KGLIPLIRSA-N 0 3 375.296 2.140 10 0 GEAEHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CCO1 ZINC000153972305 531614137 /nfs/dbraw/zinc/61/41/37/531614137.db2.gz HPVITOCGBUHVKF-JTQLQIEISA-N 0 3 397.722 2.054 10 0 GEAEHN CN(C)C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2Cl)CCO1 ZINC000155379795 531680860 /nfs/dbraw/zinc/68/08/60/531680860.db2.gz NUFZAMIEGKXLJN-GFCCVEGCSA-N 0 3 390.709 2.303 10 0 GEAEHN Cn1cc([C@H]2CCN(C[C@H](O)COc3cccc(Br)c3)C2)cn1 ZINC000172056692 531933272 /nfs/dbraw/zinc/93/32/72/531933272.db2.gz ACNHOMSKYADUBS-BBRMVZONSA-N 0 3 380.286 2.412 10 0 GEAEHN O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCN2CCC[C@H]2C1 ZINC000172349660 531948621 /nfs/dbraw/zinc/94/86/21/531948621.db2.gz GZZRPONMHPGRTD-LBPRGKRZSA-N 0 3 376.254 2.211 10 0 GEAEHN Cc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1I ZINC000116783135 531959878 /nfs/dbraw/zinc/95/98/78/531959878.db2.gz GLNOVNMWOSFMDK-ZDUSSCGKSA-N 0 3 388.249 2.002 10 0 GEAEHN C[C@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@H]1N1CCOCC1 ZINC000173889302 532040300 /nfs/dbraw/zinc/04/03/00/532040300.db2.gz QMZOHCIYXZYPMG-XHDPSFHLSA-N 0 3 393.285 2.118 10 0 GEAEHN O[C@H](COc1c(Cl)cccc1Cl)CN1CC[C@H](N2CCOCC2)C1 ZINC000173945675 532043916 /nfs/dbraw/zinc/04/39/16/532043916.db2.gz JADAIJOBGHJNNX-KBPBESRZSA-N 0 3 375.296 2.140 10 0 GEAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000175977439 532120749 /nfs/dbraw/zinc/12/07/49/532120749.db2.gz LCNSWNWEQRBKQL-MRVPVSSYSA-N 0 3 392.656 2.343 10 0 GEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000129238071 532175325 /nfs/dbraw/zinc/17/53/25/532175325.db2.gz LEZJYJPBQCEQDJ-CYBMUJFWSA-N 0 3 383.290 2.019 10 0 GEAEHN CCN(CCOc1ccc(Br)cc1)C[C@H](O)CN1CCCC1=O ZINC000131591482 532200957 /nfs/dbraw/zinc/20/09/57/532200957.db2.gz SQDCHBDUFFFCRU-HNNXBMFYSA-N 0 3 385.302 2.133 10 0 GEAEHN C[C@@H](O)CN1CCN(Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000179506079 532233930 /nfs/dbraw/zinc/23/39/30/532233930.db2.gz HMMSWFFNOKROQK-CHWSQXEVSA-N 0 3 385.302 2.107 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000179822011 532245988 /nfs/dbraw/zinc/24/59/88/532245988.db2.gz HXTWDANJYUIVFB-GFCCVEGCSA-N 0 3 383.290 2.034 10 0 GEAEHN Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)ncc1Br ZINC000193040861 532418471 /nfs/dbraw/zinc/41/84/71/532418471.db2.gz BIDXHNVUMYZIRJ-LBPRGKRZSA-N 0 3 385.306 2.184 10 0 GEAEHN COc1cc(Br)c(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1OC ZINC000246910954 532544919 /nfs/dbraw/zinc/54/49/19/532544919.db2.gz AENXKAYPGQMWIP-STQMWFEESA-N 0 3 387.318 2.353 10 0 GEAEHN O=C(CN1CCN2CCC[C@H]2C1)Nc1cccc(I)c1 ZINC000246252006 532534880 /nfs/dbraw/zinc/53/48/80/532534880.db2.gz FMMAQSNZIDKAAD-AWEZNQCLSA-N 0 3 385.249 2.010 10 0 GEAEHN CCCNC(=O)[C@@H]1CCCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000250486429 532570568 /nfs/dbraw/zinc/57/05/68/532570568.db2.gz LTFXONSZXQKXEW-GDBMZVCRSA-N 0 3 399.329 2.427 10 0 GEAEHN CCN1CCC[C@H]1CNC(=O)c1c(OC)c(O)cc(Br)c1OC ZINC000005851773 204154397 /nfs/dbraw/zinc/15/43/97/204154397.db2.gz NLIPZVMIMUCCIK-JTQLQIEISA-N 0 3 387.274 2.386 10 0 GEAEHN O[C@@H](COCc1ccccc1)CN(CCN1CCOCC1)Cc1cccs1 ZINC000036103281 205006091 /nfs/dbraw/zinc/00/60/91/205006091.db2.gz QEDDGBOXNAYJCC-HXUWFJFHSA-N 0 3 390.549 2.460 10 0 GEAEHN Cc1ccc(CN(CCN2CCOCC2)C[C@H](O)COCc2ccco2)cc1 ZINC000036101695 205006367 /nfs/dbraw/zinc/00/63/67/205006367.db2.gz RNAYDVSCOQYTHX-NRFANRHFSA-N 0 3 388.508 2.300 10 0 GEAEHN CN(C)[C@H]1CCN(C(=O)c2csc(NC(=O)c3ccc(F)c(F)c3)n2)C1 ZINC000040355681 205062922 /nfs/dbraw/zinc/06/29/22/205062922.db2.gz DDEWSHPHACMWRL-NSHDSACASA-N 0 3 380.420 2.450 10 0 GEAEHN Cc1nc2onc(-c3ccc(F)cc3)c2c(OCC(=O)NCCN2CCCC2)n1 ZINC000065024748 205207421 /nfs/dbraw/zinc/20/74/21/205207421.db2.gz VQZMCBOYFLGEDR-UHFFFAOYSA-N 0 3 399.426 2.323 10 0 GEAEHN Cc1cc(C(N)=O)ccc1NC(=O)c1ccnc(N2CCN(CC3CC3)CC2)c1 ZINC000040435175 132404803 /nfs/dbraw/zinc/40/48/03/132404803.db2.gz HROSGXQDGWPDKZ-UHFFFAOYSA-N 0 3 393.491 2.273 10 0 GEAEHN CN(C)[C@@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@]5(C)[C@H]4[C@](C)(CC[C@@H]5O)[C@@H]3CC[C@]21C ZINC000008552056 560209500 /nfs/dbraw/zinc/20/95/00/560209500.db2.gz MRVMMDQTZLIFLF-UUOIZFAXSA-N 0 3 375.509 2.381 10 0 in-vitro GEAEHN O=C(Nc1cccc(F)c1)N1NN=C2C(=O)N(Cc3cccc(F)c3)C(=O)C21 ZINC000102926285 570870487 /nfs/dbraw/zinc/87/04/87/570870487.db2.gz XMAIBWFIJXKJNA-CABCVRRESA-N 0 3 385.330 2.486 10 0 GEAEHN O=C(Nc1cccc(F)c1)N1NN=C2C(=O)N(Cc3cccc(F)c3)C(=O)C21 ZINC000102926282 570870493 /nfs/dbraw/zinc/87/04/93/570870493.db2.gz XMAIBWFIJXKJNA-GJZGRUSLSA-N 0 3 385.330 2.486 10 0 GEAEHN CN1CCN(C(=O)CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC000098052700 570975488 /nfs/dbraw/zinc/97/54/88/570975488.db2.gz YAMSXCOVJUUMCT-FCHUYYIVSA-N 0 3 379.504 2.485 10 0 in-vitro GEAEHN COc1ccc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)cc1Br ZINC000071192994 643059565 /nfs/dbraw/zinc/05/95/65/643059565.db2.gz TVRHPVUGPOJUFC-LLVKDONJSA-N 0 3 377.304 2.030 10 0 GEAEHN CC[NH+](CC)[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000104735041 643189227 /nfs/dbraw/zinc/18/92/27/643189227.db2.gz MNCAIDQYOGZKOM-JTQLQIEISA-N 0 3 379.885 2.446 10 0 GEAEHN CN(C)[C@@H]1CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000111606427 643342196 /nfs/dbraw/zinc/34/21/96/643342196.db2.gz KSAKXZUSEKMOGO-JLCFBVMHSA-N 0 3 387.343 2.499 10 0 GEAEHN CN(C)C[C@@H]1CN(Cc2noc(Cc3ccc(Br)cc3)n2)CCO1 ZINC000111690699 643345322 /nfs/dbraw/zinc/34/53/22/643345322.db2.gz VNEDFOCSEUXSID-OAHLLOKOSA-N 0 3 395.301 2.185 10 0 GEAEHN C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccccc1Br ZINC000114161073 643408903 /nfs/dbraw/zinc/40/89/03/643408903.db2.gz AUIIPRWACFOFLO-CHWSQXEVSA-N 0 3 382.302 2.036 10 0 GEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)/C=C/c2cccc(Br)c2)CCO1 ZINC000116900892 643475699 /nfs/dbraw/zinc/47/56/99/643475699.db2.gz BRVQCUQRVGUDPM-RZIFZGNASA-N 0 3 389.315 2.012 10 0 GEAEHN CN(C)C[C@H]1CN(S(=O)(=O)/C=C/c2ccc(Br)cc2)CCO1 ZINC000116900280 643475916 /nfs/dbraw/zinc/47/59/16/643475916.db2.gz CTYROKSLGSFMAS-VSGCLNPGSA-N 0 3 389.315 2.012 10 0 GEAEHN O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@@H](O)CN1CCCCC1 ZINC000158910423 644166903 /nfs/dbraw/zinc/16/69/03/644166903.db2.gz MKDFUZCEAMLZGQ-GFCCVEGCSA-N 0 3 381.325 2.260 10 0 GEAEHN O[C@H](COc1cccc(Br)c1)CN1CCS[C@H]2COCC[C@H]21 ZINC000247494856 645510745 /nfs/dbraw/zinc/51/07/45/645510745.db2.gz ZWWFCCGYWLGNKU-IMJJTQAJSA-N 0 3 388.327 2.395 10 0 GEAEHN COc1c(Br)cc(Br)cc1CN[C@@H]1CCOC[C@@H]1O ZINC000623764641 652258983 /nfs/dbraw/zinc/25/89/83/652258983.db2.gz IBZVPRDETBUUKH-NEPJUHHUSA-N 0 3 395.091 2.460 10 0 GEAEHN COc1c(Br)cc(Br)cc1CN[C@H]1CCOC[C@H]1O ZINC000623764642 652259159 /nfs/dbraw/zinc/25/91/59/652259159.db2.gz IBZVPRDETBUUKH-NWDGAFQWSA-N 0 3 395.091 2.460 10 0 GEAEHN COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1CC([NH3+])C1 ZINC000715085667 653324788 /nfs/dbraw/zinc/32/47/88/653324788.db2.gz KFAZFPKRXSMMRU-UHFFFAOYSA-N 0 3 383.695 2.127 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CCO1 ZINC000152218135 531537961 /nfs/dbraw/zinc/53/79/61/531537961.db2.gz BRFPNUAGRJQJDS-HNNXBMFYSA-N 0 3 393.285 2.037 10 0 GEAEHN C[C@H](Cc1ccccc1Br)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000152623032 531563198 /nfs/dbraw/zinc/56/31/98/531563198.db2.gz PZRVIYYHPAWOJH-HIFRSBDPSA-N 0 3 384.318 2.352 10 0 GEAEHN O[C@H](COc1ccc(Br)cc1)CN1CCC[C@H](n2cncn2)C1 ZINC000171528118 531908454 /nfs/dbraw/zinc/90/84/54/531908454.db2.gz YERMYIGXZDXSPO-GJZGRUSLSA-N 0 3 381.274 2.117 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)NCc2cc(Cl)ccc2OC(F)F)CCO1 ZINC000173771065 532032208 /nfs/dbraw/zinc/03/22/08/532032208.db2.gz DBPRKHAQZMDIQD-CYBMUJFWSA-N 0 3 377.819 2.413 10 0 GEAEHN CNC(=O)CC1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000175040635 532088038 /nfs/dbraw/zinc/08/80/38/532088038.db2.gz DFUGMAHVCMTPLQ-OAHLLOKOSA-N 0 3 385.302 2.037 10 0 GEAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000175977454 532121115 /nfs/dbraw/zinc/12/11/15/532121115.db2.gz LCNSWNWEQRBKQL-QMMMGPOBSA-N 0 3 392.656 2.343 10 0 GEAEHN C[C@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@@H]1N(C)C ZINC000124023680 532112731 /nfs/dbraw/zinc/11/27/31/532112731.db2.gz SMGZKVZUCHEHDH-WPRPVWTQSA-N 0 3 382.711 2.068 10 0 GEAEHN COCCN1CCN(CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000124597801 532125162 /nfs/dbraw/zinc/12/51/62/532125162.db2.gz YLAMYEBLSYATLW-CQSZACIVSA-N 0 3 384.318 2.430 10 0 GEAEHN CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000177003037 532158780 /nfs/dbraw/zinc/15/87/80/532158780.db2.gz ODVKWVGWIRRZDX-AWEZNQCLSA-N 0 3 398.301 2.337 10 0 GEAEHN C[C@H](C(=O)Nc1cccc(I)c1)N1CCN2CCC[C@@H]2C1 ZINC000178637891 532208463 /nfs/dbraw/zinc/20/84/63/532208463.db2.gz YWUSBGCSEPQOEB-IUODEOHRSA-N 0 3 399.276 2.398 10 0 GEAEHN C[C@@H](O)CN1CCN(Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000179506086 532234112 /nfs/dbraw/zinc/23/41/12/532234112.db2.gz HMMSWFFNOKROQK-QWHCGFSZSA-N 0 3 385.302 2.107 10 0 GEAEHN CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000136181062 532282401 /nfs/dbraw/zinc/28/24/01/532282401.db2.gz QVZIYXIDBYJMTR-CYBMUJFWSA-N 0 3 398.301 2.337 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)NCCOCc2ccc(Cl)cc2Cl)CCO1 ZINC000181709299 532305254 /nfs/dbraw/zinc/30/52/54/532305254.db2.gz VAUFHQHVQFKMPV-OAHLLOKOSA-N 0 3 390.311 2.482 10 0 GEAEHN COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000184675375 532334402 /nfs/dbraw/zinc/33/44/02/532334402.db2.gz XRGBQHXCWAUAPX-GFCCVEGCSA-N 0 3 396.285 2.011 10 0 GEAEHN C[C@@H](O)CN1CCN(CCOc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000188955945 532350446 /nfs/dbraw/zinc/35/04/46/532350446.db2.gz UZNPMNOLBXKHOV-QWHCGFSZSA-N 0 3 375.282 2.354 10 0 GEAEHN O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CCN2CCC[C@H]2C1 ZINC000195317847 532474882 /nfs/dbraw/zinc/47/48/82/532474882.db2.gz ORBWXTALMANLBA-ZDUSSCGKSA-N 0 3 376.507 2.306 10 0 GEAEHN C[C@H](O)CN1CCN(CCOc2cc(F)cc(Br)c2)C[C@H]1C ZINC000249400781 532564868 /nfs/dbraw/zinc/56/48/68/532564868.db2.gz UZNPMNOLBXKHOV-OLZOCXBDSA-N 0 3 375.282 2.354 10 0 GEAEHN CN(C(=O)c1ccc(F)cc1I)[C@H](CN)C(F)(F)F ZINC000596002086 532580861 /nfs/dbraw/zinc/58/08/61/532580861.db2.gz RDRWFDOLGGLYOE-SECBINFHSA-N 0 3 390.118 2.392 10 0 GEAEHN COc1ccc2c(c1)[C@H]1C[C@](C)(NC(=O)C1S(=O)(=O)c1ccc(F)cc1)O2 ZINC000004315426 204038382 /nfs/dbraw/zinc/03/83/82/204038382.db2.gz GJKPWCBSLUIPLX-HHXXYDBFSA-N 0 3 391.420 2.389 10 0 GEAEHN CCN1CC2(CC1=O)CCN(Cc1cccc(OC)c1OCCN(C)C)CC2 ZINC000072422727 205349240 /nfs/dbraw/zinc/34/92/40/205349240.db2.gz NMDXVJOTLJEUFB-UHFFFAOYSA-N 0 3 389.540 2.470 10 0 GEAEHN NC1(C(=O)NCc2ccccc2Cl)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000096900085 136187626 /nfs/dbraw/zinc/18/76/26/136187626.db2.gz SJPMUKKGAJXLAH-UHFFFAOYSA-N 0 3 384.871 2.225 10 0 GEAEHN COc1cc2[nH]c(=O)n(CCCN3CCc4ccccc4C3)c(=O)c2cc1OC ZINC000073658096 522985843 /nfs/dbraw/zinc/98/58/43/522985843.db2.gz IZTDCPABSDXNGI-UHFFFAOYSA-N 0 3 395.459 2.155 10 0 GEAEHN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H]1CNC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000536960622 570470931 /nfs/dbraw/zinc/47/09/31/570470931.db2.gz SBDKOUYJEMEIHL-HRCADAONSA-N 0 3 383.533 2.247 10 0 GEAEHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000071189456 643059529 /nfs/dbraw/zinc/05/95/29/643059529.db2.gz SGNFBXXQGTVZBF-SECBINFHSA-N 0 3 382.711 2.070 10 0 GEAEHN COc1ccc(Br)cc1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1 ZINC000071192990 643059628 /nfs/dbraw/zinc/05/96/28/643059628.db2.gz CDECLJZIRBGPHQ-LLVKDONJSA-N 0 3 377.304 2.030 10 0 GEAEHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000106098353 643220808 /nfs/dbraw/zinc/22/08/08/643220808.db2.gz ZBELTGZRWMKLLQ-ZIAGYGMSSA-N 0 3 384.318 2.165 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CCO1 ZINC000116787695 643469139 /nfs/dbraw/zinc/46/91/39/643469139.db2.gz PMRSULMWMMWLTC-LLVKDONJSA-N 0 3 384.249 2.472 10 0 GEAEHN CN(C)C[C@H]1CN(S(=O)(=O)/C=C/c2cccc(Br)c2)CCO1 ZINC000116900893 643475925 /nfs/dbraw/zinc/47/59/25/643475925.db2.gz BRVQCUQRVGUDPM-PPYMECGQSA-N 0 3 389.315 2.012 10 0 GEAEHN CN(C)C[C@H]1CN(Cn2nc(-c3ccccc3Cl)n(C)c2=S)CCO1 ZINC000152988774 643976724 /nfs/dbraw/zinc/97/67/24/643976724.db2.gz AGNXNHNZVRZQNL-ZDUSSCGKSA-N 0 3 381.933 2.491 10 0 GEAEHN C[C@H]1CN2CCC[C@@H]2CN1CN1c2ccc(Br)cc2C(=O)C1=O ZINC000153212692 643980943 /nfs/dbraw/zinc/98/09/43/643980943.db2.gz LVIVAIZFUBVIFW-WCQYABFASA-N 0 3 378.270 2.104 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000193421097 645271348 /nfs/dbraw/zinc/27/13/48/645271348.db2.gz WOYIKKUTEYNTIX-LBPRGKRZSA-N 0 3 383.290 2.034 10 0 GEAEHN C[C@H](O)CN1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000247808881 645519613 /nfs/dbraw/zinc/51/96/13/645519613.db2.gz UEDCBBUZVVGSBQ-VNHYZAJKSA-N 0 3 377.312 2.120 10 0 GEAEHN O[C@@H](COc1ccc(Br)cc1)CN1CCC[C@@H](n2cncn2)C1 ZINC000247874035 645520515 /nfs/dbraw/zinc/52/05/15/645520515.db2.gz YERMYIGXZDXSPO-HUUCEWRRSA-N 0 3 381.274 2.117 10 0 GEAEHN CC[C@H]1CN(C(=O)[C@@](C)(N)c2ccc(Br)cc2)CCN1CCOC ZINC000261877314 645608028 /nfs/dbraw/zinc/60/80/28/645608028.db2.gz YNVABMWIWBIAQY-WMZOPIPTSA-N 0 3 398.345 2.192 10 0 GEAEHN Cc1ccc(NC(=O)[C@H](C)N2CCO[C@H](CN(C)C)C2)c(Br)c1 ZINC000155268031 531670002 /nfs/dbraw/zinc/67/00/02/531670002.db2.gz QMIUAECLUVRAKY-UONOGXRCSA-N 0 3 384.318 2.347 10 0 GEAEHN CN(C)C[C@H]1CN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCO1 ZINC000155262982 531670090 /nfs/dbraw/zinc/67/00/90/531670090.db2.gz JYVUXXFMVKFFAM-LBPRGKRZSA-N 0 3 377.819 2.142 10 0 GEAEHN O[C@@H](COc1ccc(Cl)cc1Cl)CN1CC[C@H](N2CCOCC2)C1 ZINC000173948962 532044290 /nfs/dbraw/zinc/04/42/90/532044290.db2.gz BHOOMVROUTYYLI-LSDHHAIUSA-N 0 3 375.296 2.140 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000175011022 532086847 /nfs/dbraw/zinc/08/68/47/532086847.db2.gz ZSQSKWDIBWQARV-OAHLLOKOSA-N 0 3 382.302 2.122 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000175011044 532087047 /nfs/dbraw/zinc/08/70/47/532087047.db2.gz ZSQSKWDIBWQARV-HNNXBMFYSA-N 0 3 382.302 2.122 10 0 GEAEHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000178698824 532209960 /nfs/dbraw/zinc/20/99/60/532209960.db2.gz ZWDMWCRZPSUJNK-LLVKDONJSA-N 0 3 396.340 2.102 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000150802758 532302085 /nfs/dbraw/zinc/30/20/85/532302085.db2.gz CFUYIAKOPZNUJX-YGRLFVJLSA-N 0 3 386.265 2.372 10 0 GEAEHN COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000150793702 532302268 /nfs/dbraw/zinc/30/22/68/532302268.db2.gz RKXUFFFCYLOXJE-ABAIWWIYSA-N 0 3 398.301 2.241 10 0 GEAEHN COCCCS(=O)(=O)NCCN[C@@H](C)c1cccc(Br)c1 ZINC000182580286 532315127 /nfs/dbraw/zinc/31/51/27/532315127.db2.gz BXPGMDCZFRPXOE-LBPRGKRZSA-N 0 3 379.320 2.056 10 0 GEAEHN COCCN(C)CCN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186164130 532340020 /nfs/dbraw/zinc/34/00/20/532340020.db2.gz WXBOIODHIYYXTM-QGZVFWFLSA-N 0 3 379.302 2.496 10 0 GEAEHN Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)ncc1Br ZINC000193631650 532426977 /nfs/dbraw/zinc/42/69/77/532426977.db2.gz KECSRYMYVZWYMP-CYBMUJFWSA-N 0 3 397.317 2.328 10 0 GEAEHN CN(C[C@H]1CCN(C)C1)C(=O)c1ccc(F)cc1I ZINC000221954021 532485046 /nfs/dbraw/zinc/48/50/46/532485046.db2.gz HMTZWORXNLXRNE-JTQLQIEISA-N 0 3 376.213 2.454 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000246539259 532541442 /nfs/dbraw/zinc/54/14/42/532541442.db2.gz VIMLMXQZHBAUAC-IUODEOHRSA-N 0 3 394.313 2.183 10 0 GEAEHN N[C@@H](C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)C1CCOCC1 ZINC000262168643 532587981 /nfs/dbraw/zinc/58/79/81/532587981.db2.gz YLZXDEZFWHMHFM-SUMWQHHRSA-N 0 3 396.329 2.146 10 0 GEAEHN O=C(CN[C@@H]1CCC[C@H]1[C@@H]1COCCN1)Nc1ccc(Br)cc1 ZINC000261987104 532581144 /nfs/dbraw/zinc/58/11/44/532581144.db2.gz SENDGEWXSOAVKV-OAGGEKHMSA-N 0 3 382.302 2.134 10 0 GEAEHN CCC(=O)N1[C@H](C(=O)NCc2ccc(C)cc2)CSC12CCN(C)CC2 ZINC000006943489 204226327 /nfs/dbraw/zinc/22/63/27/204226327.db2.gz PJBOIWCMWXJGNI-KRWDZBQOSA-N 0 3 375.538 2.387 10 0 GEAEHN CCOc1ccc2nc(CN3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)ccc2c1 ZINC000012314882 204396457 /nfs/dbraw/zinc/39/64/57/204396457.db2.gz KKOKVNHKGJZFNT-FGZHOGPDSA-N 0 3 385.508 2.025 10 0 GEAEHN O[C@H](COCc1ccccc1)CN(CCN1CCOCC1)Cc1cccs1 ZINC000036103283 205005338 /nfs/dbraw/zinc/00/53/38/205005338.db2.gz QEDDGBOXNAYJCC-FQEVSTJZSA-N 0 3 390.549 2.460 10 0 GEAEHN CN(Cc1ccccc1)C1(C(=O)N2CCC[C@@H](C(N)=O)C2)Cc2ccccc2C1 ZINC000039362372 205041014 /nfs/dbraw/zinc/04/10/14/205041014.db2.gz KPDXZVFVFUAXFC-OAQYLSRUSA-N 0 3 391.515 2.380 10 0 GEAEHN O=C(NCCN1CCCC1)[C@@H]1CN(C(=O)c2ccncc2)CC12CCCCC2 ZINC000065266182 205224318 /nfs/dbraw/zinc/22/43/18/205224318.db2.gz PZJHWLMSTIYUSG-IBGZPJMESA-N 0 3 384.524 2.316 10 0 GEAEHN O[C@H](CNC[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2ccccc2O1 ZINC000065739639 205239083 /nfs/dbraw/zinc/23/90/83/205239083.db2.gz JMAVJQLYDMPPMQ-KSCDAYEDSA-N 0 3 387.451 2.225 10 0 in-vitro GEAEHN CC1CCN(CCNC(=O)Cn2c3cccnc3n(-c3ccccc3)c2=O)CC1 ZINC000065202542 205218870 /nfs/dbraw/zinc/21/88/70/205218870.db2.gz XNNDXWJBKJVYSE-UHFFFAOYSA-N 0 3 393.491 2.035 10 0 GEAEHN Cc1cc(C)n(-c2cccc(CN3CCC4(CC3)C(=O)NCCCN4C)c2)n1 ZINC000067672935 205253133 /nfs/dbraw/zinc/25/31/33/205253133.db2.gz IPGJIGYFWCQZAJ-UHFFFAOYSA-N 0 3 381.524 2.275 10 0 GEAEHN C[NH+]1CCC(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(Cl)s3)C2)CC1 ZINC000072162733 205315967 /nfs/dbraw/zinc/31/59/67/205315967.db2.gz WSNKDBMXJRXDKZ-GFCCVEGCSA-N 0 3 377.963 2.238 10 0 GEAEHN CC(C)(C)OC(=O)N1CCN(c2ccc(N3C[C@H](CN)OC3=O)cc2F)CC1 ZINC000071863781 534838447 /nfs/dbraw/zinc/83/84/47/534838447.db2.gz PCEMTBKNDSHYGA-AWEZNQCLSA-N 0 3 394.447 2.167 10 0 GEAEHN CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000004095905 560193640 /nfs/dbraw/zinc/19/36/40/560193640.db2.gz WNKDGPXNFMMOEJ-RNJSZURPSA-N 0 3 398.503 2.100 10 0 in-vitro GEAEHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CCO1 ZINC000116901139 643475836 /nfs/dbraw/zinc/47/58/36/643475836.db2.gz QQVUQZRFHIWIIU-NSHDSACASA-N 0 3 384.445 2.250 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CC2)CCO1 ZINC000117051754 643480694 /nfs/dbraw/zinc/48/06/94/643480694.db2.gz KJAPZNIBNQEHOE-MRXNPFEDSA-N 0 3 396.329 2.453 10 0 GEAEHN CCN1CCC[C@@H](NC(=O)COc2cccc(I)c2)C1 ZINC000194579142 645335319 /nfs/dbraw/zinc/33/53/19/645335319.db2.gz LUWOYLVESASGLF-CYBMUJFWSA-N 0 3 388.249 2.271 10 0 GEAEHN CC[C@H]1CN(Cc2cnc3ccc(Br)cn23)CCN1C[C@H](C)O ZINC000245800324 645469985 /nfs/dbraw/zinc/46/99/85/645469985.db2.gz XSARUTITYJHDIS-ZFWWWQNUSA-N 0 3 381.318 2.374 10 0 GEAEHN C[C@H](O)CN1CCN(Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C ZINC000245800403 645470006 /nfs/dbraw/zinc/47/00/06/645470006.db2.gz XSNFJVHHLABHRY-KGLIPLIRSA-N 0 3 399.329 2.497 10 0 GEAEHN Cc1cc(NC(=O)[C@H](C)N2CCO[C@@H](CN(C)C)C2)ccc1Br ZINC000246374316 645481435 /nfs/dbraw/zinc/48/14/35/645481435.db2.gz OEWZUDKRRISVIK-ZFWWWQNUSA-N 0 3 384.318 2.347 10 0 GEAEHN O[C@H](COc1ccc(Br)cc1)CN1CCC[C@@H](n2cncn2)C1 ZINC000247874033 645520703 /nfs/dbraw/zinc/52/07/03/645520703.db2.gz YERMYIGXZDXSPO-CABCVRRESA-N 0 3 381.274 2.117 10 0 GEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)/C=C\c2cccc(Br)c2)CCO1 ZINC000255639765 645583880 /nfs/dbraw/zinc/58/38/80/645583880.db2.gz BRVQCUQRVGUDPM-WUKHSURWSA-N 0 3 389.315 2.012 10 0 GEAEHN CC[C@@H]1CN(Cc2cnc3ccc(Br)cn23)CCN1C[C@@H](C)O ZINC000120687086 531990743 /nfs/dbraw/zinc/99/07/43/531990743.db2.gz XSARUTITYJHDIS-UKRRQHHQSA-N 0 3 381.318 2.374 10 0 GEAEHN COc1c(Br)c(C)sc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000173523029 532017147 /nfs/dbraw/zinc/01/71/47/532017147.db2.gz WRKXSMCBKLKBGW-JTQLQIEISA-N 0 3 377.304 2.230 10 0 GEAEHN CNC(=O)CC1CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000175040617 532088108 /nfs/dbraw/zinc/08/81/08/532088108.db2.gz DFUGMAHVCMTPLQ-HNNXBMFYSA-N 0 3 385.302 2.037 10 0 GEAEHN Cc1csc([C@@H]2CCCN(CCC(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000177032233 532159268 /nfs/dbraw/zinc/15/92/68/532159268.db2.gz VMTBHSQDOOXXBO-LLVKDONJSA-N 0 3 378.420 2.409 10 0 GEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)[C@@H](C)C1 ZINC000150791007 532302065 /nfs/dbraw/zinc/30/20/65/532302065.db2.gz GLJIINJDFBZBHT-HZMBPMFUSA-N 0 3 386.265 2.372 10 0 GEAEHN O=C1CCCN1C[C@H](O)CN1CCC(Oc2cccc(Br)c2)CC1 ZINC000183824757 532329406 /nfs/dbraw/zinc/32/94/06/532329406.db2.gz WBCCAPMAAJHWCR-OAHLLOKOSA-N 0 3 397.313 2.276 10 0 GEAEHN Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c(Br)c1 ZINC000190087177 532354751 /nfs/dbraw/zinc/35/47/51/532354751.db2.gz SXFVVCCUFHXLMY-QWHCGFSZSA-N 0 3 380.286 2.391 10 0 GEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000190354665 532355774 /nfs/dbraw/zinc/35/57/74/532355774.db2.gz FQSZVKMDPOLETE-LSDHHAIUSA-N 0 3 380.286 2.473 10 0 GEAEHN C[C@H]1CNCCN1c1ccc(Nc2cc(Br)cn(C)c2=O)nc1 ZINC000219862123 532483147 /nfs/dbraw/zinc/48/31/47/532483147.db2.gz LFFUMIOTPYYQPQ-NSHDSACASA-N 0 3 378.274 2.085 10 0 GEAEHN COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246491468 532538813 /nfs/dbraw/zinc/53/88/13/532538813.db2.gz RKXUFFFCYLOXJE-IAQYHMDHSA-N 0 3 398.301 2.241 10 0 GEAEHN C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1N1CCOCC1 ZINC000246453127 532539005 /nfs/dbraw/zinc/53/90/05/532539005.db2.gz MXOCLSKPRVSKLG-UKPHBRMFSA-N 0 3 389.323 2.386 10 0 GEAEHN C[C@H](O)CN1CCN(Cc2cc3c(cc2Br)OCCCO3)C[C@H]1C ZINC000245558915 532522017 /nfs/dbraw/zinc/52/20/17/532522017.db2.gz HIGVXASULHALCY-KGLIPLIRSA-N 0 3 399.329 2.497 10 0 GEAEHN C[C@H](O)CN1CCN(CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000247246372 532546141 /nfs/dbraw/zinc/54/61/41/532546141.db2.gz ZQUUAWZPWFBMOJ-KGLIPLIRSA-N 0 3 384.318 2.165 10 0 GEAEHN CN(CC(=O)N1CCC[C@@H](N(C)CCc2ccccn2)C1)Cc1ccncc1 ZINC000011661879 204349704 /nfs/dbraw/zinc/34/97/04/204349704.db2.gz JSPIMZBXVYFRNK-OAQYLSRUSA-N 0 3 381.524 2.074 10 0 GEAEHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)Cc2cccnc2)CC1 ZINC000011821633 204356194 /nfs/dbraw/zinc/35/61/94/204356194.db2.gz AJLSJYRLLHYMSQ-HXUWFJFHSA-N 0 3 386.540 2.243 10 0 GEAEHN Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 ZINC000012202331 204382540 /nfs/dbraw/zinc/38/25/40/204382540.db2.gz MLNNLHCPANSEAI-QZTJIDSGSA-N 0 3 391.899 2.162 10 0 GEAEHN O=S(=O)(c1cccc(Cl)c1)n1ccc2c1nccc2N1CCNCC1 ZINC000038412252 205036330 /nfs/dbraw/zinc/03/63/30/205036330.db2.gz COEPBEGCHFTQMB-UHFFFAOYSA-N 0 3 376.869 2.336 10 0 GEAEHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](N(C)CCc2ccccc2)C1 ZINC000067921528 205268780 /nfs/dbraw/zinc/26/87/80/205268780.db2.gz SWOBLWNIVAHVBL-SFHVURJKSA-N 0 3 376.526 2.354 10 0 GEAEHN COC(=O)C[C@H]1N[C@@H](c2ccccc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000100128140 205385329 /nfs/dbraw/zinc/38/53/29/205385329.db2.gz WKDOKAJMYXLYHS-LMCOJAPRSA-N 0 3 378.428 2.064 10 0 GEAEHN CN(Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@@H](O)CO ZINC000012074413 221146356 /nfs/dbraw/zinc/14/63/56/221146356.db2.gz VLIRVIHDFZPNQG-LJQANCHMSA-N 0 3 395.459 2.112 10 0 GEAEHN CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2F)cnc1N1CCNCC1 ZINC000065025357 535472512 /nfs/dbraw/zinc/47/25/12/535472512.db2.gz QJTQOHYXGNYTSP-UHFFFAOYSA-N 0 3 399.470 2.365 10 0 GEAEHN Cc1cnn(CCN[C@@H](C)C(=O)Nc2cccc(I)c2)c1 ZINC000112552223 643365219 /nfs/dbraw/zinc/36/52/19/643365219.db2.gz LQRRDVQZIWTXOC-LBPRGKRZSA-N 0 3 398.248 2.413 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000116791430 643469817 /nfs/dbraw/zinc/46/98/17/643469817.db2.gz YHMPHYXAEHKVET-INIZCTEOSA-N 0 3 393.285 2.037 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)NCCc2cc(Br)ccc2F)CCO1 ZINC000117039519 643480721 /nfs/dbraw/zinc/48/07/21/643480721.db2.gz KEDGNSLDUQYQOA-AWEZNQCLSA-N 0 3 388.281 2.103 10 0 GEAEHN CC[C@H](O)CN1CCN(CCC(=O)Nc2ccccc2Br)CC1 ZINC000118856309 643524780 /nfs/dbraw/zinc/52/47/80/643524780.db2.gz XRBNOFCJFTUMDD-AWEZNQCLSA-N 0 3 384.318 2.166 10 0 GEAEHN CC[C@@H](O)CN1CCN(CCC(=O)Nc2ccccc2Br)CC1 ZINC000118856312 643525034 /nfs/dbraw/zinc/52/50/34/643525034.db2.gz XRBNOFCJFTUMDD-CQSZACIVSA-N 0 3 384.318 2.166 10 0 GEAEHN O=C1CCCN1C1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000171627378 644330665 /nfs/dbraw/zinc/33/06/65/644330665.db2.gz OSKHIFXAEJIQAJ-MRXNPFEDSA-N 0 3 397.313 2.276 10 0 GEAEHN C[C@H](O)CN1CCN(Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]1C ZINC000245800400 645469864 /nfs/dbraw/zinc/46/98/64/645469864.db2.gz XSNFJVHHLABHRY-KBPBESRZSA-N 0 3 399.329 2.497 10 0 GEAEHN Cc1ccc(NC(=O)[C@H](C)N2CCO[C@@H](CN(C)C)C2)c(Br)c1 ZINC000246407038 645483697 /nfs/dbraw/zinc/48/36/97/645483697.db2.gz QMIUAECLUVRAKY-KBPBESRZSA-N 0 3 384.318 2.347 10 0 GEAEHN NC1(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)CCOCC1 ZINC000261777550 645599530 /nfs/dbraw/zinc/59/95/30/645599530.db2.gz HALXQQFIARVNRL-UHFFFAOYSA-N 0 3 393.285 2.335 10 0 GEAEHN C[NH2+][C@H](C)C[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000261822194 645603557 /nfs/dbraw/zinc/60/35/57/645603557.db2.gz UNYHYRMZTPRKSJ-SECBINFHSA-N 0 3 390.328 2.459 10 0 GEAEHN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCO[C@H](CN(C)C)C1 ZINC000155320131 531674940 /nfs/dbraw/zinc/67/49/40/531674940.db2.gz DFSMIAZSXPMRJB-WMLDXEAASA-N 0 3 398.345 2.058 10 0 GEAEHN O=C(CCN1CC[C@H](N2CCOCC2)C1)Nc1ccccc1Br ZINC000173610319 532022757 /nfs/dbraw/zinc/02/27/57/532022757.db2.gz ZCSCJYJWBSEVCB-AWEZNQCLSA-N 0 3 382.302 2.184 10 0 GEAEHN CN(C(=O)c1occc1Br)C1CCN(CCn2cccn2)CC1 ZINC000176041371 532124095 /nfs/dbraw/zinc/12/40/95/532124095.db2.gz YYYCBSXGMGATKQ-UHFFFAOYSA-N 0 3 381.274 2.475 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000177423517 532170658 /nfs/dbraw/zinc/17/06/58/532170658.db2.gz HCYPPEHJIMQUSO-HNNXBMFYSA-N 0 3 382.302 2.122 10 0 GEAEHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1ccccc1I ZINC000178632770 532207903 /nfs/dbraw/zinc/20/79/03/532207903.db2.gz WOLRFECAACLEBU-GFCCVEGCSA-N 0 3 385.249 2.010 10 0 GEAEHN CCOCCO[C@H]1CCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000178921127 532217908 /nfs/dbraw/zinc/21/79/08/532217908.db2.gz DSWDKXNHNPFDFF-WBVHZDCISA-N 0 3 388.302 2.316 10 0 GEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183265134 532322747 /nfs/dbraw/zinc/32/27/47/532322747.db2.gz WCSXEYZYAHQMPB-LLVKDONJSA-N 0 3 398.301 2.486 10 0 GEAEHN C[C@@H](CNCc1ccc(Br)cc1N1CCOCC1)N1CCOCC1 ZINC000188692391 532349203 /nfs/dbraw/zinc/34/92/03/532349203.db2.gz IFYZBWAUDBDWMC-HNNXBMFYSA-N 0 3 398.345 2.096 10 0 GEAEHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CCO1 ZINC000192209175 532395072 /nfs/dbraw/zinc/39/50/72/532395072.db2.gz HUVACCTZAARJKR-JTQLQIEISA-N 0 3 397.722 2.054 10 0 GEAEHN C[C@H](O)CN1CCN(CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000247246360 532546280 /nfs/dbraw/zinc/54/62/80/532546280.db2.gz ZQUUAWZPWFBMOJ-KBPBESRZSA-N 0 3 384.318 2.165 10 0 GEAEHN CCN1CCC[C@@H]1CNC(=O)c1c(OC)c(O)cc(Br)c1OC ZINC000005851637 204154839 /nfs/dbraw/zinc/15/48/39/204154839.db2.gz NLIPZVMIMUCCIK-SNVBAGLBSA-N 0 3 387.274 2.386 10 0 GEAEHN O=C(c1cn(C[C@@H]2CCCO2)nn1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000011818373 204354028 /nfs/dbraw/zinc/35/40/28/204354028.db2.gz RFFHZMYHOCAKLD-FQEVSTJZSA-N 0 3 395.507 2.120 10 0 GEAEHN CN(c1ncnc(Nc2ccc(Br)cn2)c1N)C1CCN(C)CC1 ZINC000040779974 205070336 /nfs/dbraw/zinc/07/03/36/205070336.db2.gz BQGOLWQZGJQWPT-UHFFFAOYSA-N 0 3 392.305 2.490 10 0 GEAEHN Cc1ccn2cc(C(=O)NCc3ccc(N4CCCN(C)CC4)nc3)nc2c1 ZINC000058101343 205163671 /nfs/dbraw/zinc/16/36/71/205163671.db2.gz MVGRLBYGTYCKRZ-UHFFFAOYSA-N 0 3 378.480 2.110 10 0 GEAEHN NC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1 ZINC000058563968 136155479 /nfs/dbraw/zinc/15/54/79/136155479.db2.gz XNWDRALEEPGBHB-UHFFFAOYSA-N 0 3 380.496 2.397 10 0 in-vitro GEAEHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000014948283 570865155 /nfs/dbraw/zinc/86/51/55/570865155.db2.gz GGRRKBLWOMKWNS-ZANVPECISA-N 0 3 397.353 2.089 10 0 GEAEHN CN(C(=O)c1coc(Br)c1)C1CCN(CCn2cccn2)CC1 ZINC000109291462 643291994 /nfs/dbraw/zinc/29/19/94/643291994.db2.gz HNWQZGZVIVYOTO-UHFFFAOYSA-N 0 3 381.274 2.475 10 0 GEAEHN CN(C)C[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCO1 ZINC000116900387 643475887 /nfs/dbraw/zinc/47/58/87/643475887.db2.gz XECVEOWWRNKLKS-NSHDSACASA-N 0 3 386.823 2.310 10 0 GEAEHN Cc1c(I)cccc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000124962553 643696203 /nfs/dbraw/zinc/69/62/03/643696203.db2.gz LNIGHWCQUKDFCP-GFCCVEGCSA-N 0 3 388.249 2.002 10 0 GEAEHN CCN1CCC[C@H](NC(=O)c2cccn3c(I)cnc23)C1 ZINC000177199309 644410689 /nfs/dbraw/zinc/41/06/89/644410689.db2.gz CDUNOAWTAANQQI-NSHDSACASA-N 0 3 398.248 2.153 10 0 GEAEHN CCN1CCC[C@H](NC(=O)COc2ccc(I)cc2)C1 ZINC000194626067 645337727 /nfs/dbraw/zinc/33/77/27/645337727.db2.gz XJZWDVROXLTQBW-ZDUSSCGKSA-N 0 3 388.249 2.271 10 0 GEAEHN CN(CCO)CCN(C)Cc1cc(Cl)ccc1I ZINC000598919440 652839998 /nfs/dbraw/zinc/83/99/98/652839998.db2.gz SSUKVYLLRBULOD-UHFFFAOYSA-N 0 3 382.673 2.301 10 0 GEAEHN CN(C)Cc1ccc(N2CCN(C(=O)C[C@H]3CSCCS3)CC2)nc1 ZINC000151455128 531502581 /nfs/dbraw/zinc/50/25/81/531502581.db2.gz KRGBIISHTFDGAX-INIZCTEOSA-N 0 3 380.583 2.031 10 0 GEAEHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000046345951 531702328 /nfs/dbraw/zinc/70/23/28/531702328.db2.gz YQPFZBNZJAYALT-HIFRSBDPSA-N 0 3 386.286 2.464 10 0 GEAEHN Cn1cc(NC(=O)N2CCC(N3CC=CC3)CC2)cc(Br)c1=O ZINC000156211832 531721060 /nfs/dbraw/zinc/72/10/60/531721060.db2.gz XBGUIJSLURXWKA-UHFFFAOYSA-N 0 3 381.274 2.016 10 0 GEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000069008380 531908662 /nfs/dbraw/zinc/90/86/62/531908662.db2.gz NEAURPDJNWIKGS-OAHLLOKOSA-N 0 3 389.949 2.101 10 0 GEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000069008379 531909396 /nfs/dbraw/zinc/90/93/96/531909396.db2.gz NEAURPDJNWIKGS-HNNXBMFYSA-N 0 3 389.949 2.101 10 0 GEAEHN O=C(Cc1cc2c(cc1Br)OCCO2)N1CCN2CCC[C@H]2C1 ZINC000171880619 531922636 /nfs/dbraw/zinc/92/26/36/531922636.db2.gz QGCAMUGBQQHQQK-ZDUSSCGKSA-N 0 3 381.270 2.069 10 0 GEAEHN Cc1ccc(I)c(C(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000116783570 531960986 /nfs/dbraw/zinc/96/09/86/531960986.db2.gz RLOAMRMEPRCIMA-LBPRGKRZSA-N 0 3 388.249 2.002 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)NCc2cc(Cl)ccc2OC(F)F)CCO1 ZINC000173771079 532032667 /nfs/dbraw/zinc/03/26/67/532032667.db2.gz DBPRKHAQZMDIQD-ZDUSSCGKSA-N 0 3 377.819 2.413 10 0 GEAEHN CN(C)C[C@H]1CN(Cc2cc(Br)c3c(c2)OCCCO3)CCO1 ZINC000128195256 532161989 /nfs/dbraw/zinc/16/19/89/532161989.db2.gz PXXIOCMOKOYOPS-AWEZNQCLSA-N 0 3 385.302 2.373 10 0 GEAEHN CN(C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCN(S(C)(=O)=O)CC1 ZINC000179617762 532237923 /nfs/dbraw/zinc/23/79/23/532237923.db2.gz MPWIEMJYDSWDPR-MRXNPFEDSA-N 0 3 385.917 2.189 10 0 GEAEHN O=C(CCc1cc(F)ccc1Br)NC[C@H](O)CN1CCCCC1 ZINC000183662725 532327616 /nfs/dbraw/zinc/32/76/16/532327616.db2.gz HAKBABYTQGMOOQ-HNNXBMFYSA-N 0 3 387.293 2.484 10 0 GEAEHN CN(C)S(=O)(=O)c1ccc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188085833 532346581 /nfs/dbraw/zinc/34/65/81/532346581.db2.gz LCPOYVUGJRNYPX-WMZOPIPTSA-N 0 3 380.535 2.206 10 0 GEAEHN COc1cc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)ccc1Br ZINC000190085478 532354805 /nfs/dbraw/zinc/35/48/05/532354805.db2.gz PFVHARYMDSTFCZ-WCQYABFASA-N 0 3 396.285 2.091 10 0 GEAEHN Cc1ccc(Br)cc1CNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000187590868 532344981 /nfs/dbraw/zinc/34/49/81/532344981.db2.gz ISMOEXSLIGSZJN-MRXNPFEDSA-N 0 3 384.318 2.404 10 0 GEAEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1ccc(F)cc1I ZINC000221953966 532485351 /nfs/dbraw/zinc/48/53/51/532485351.db2.gz HMTZWORXNLXRNE-SNVBAGLBSA-N 0 3 376.213 2.454 10 0 GEAEHN C[C@H](O)CN1CCN(Cc2cc3c(cc2Br)OCCCO3)C[C@@H]1C ZINC000245558914 532522104 /nfs/dbraw/zinc/52/21/04/532522104.db2.gz HIGVXASULHALCY-KBPBESRZSA-N 0 3 399.329 2.497 10 0 GEAEHN Cc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000249231593 532562326 /nfs/dbraw/zinc/56/23/26/532562326.db2.gz VQHSIPXMEKFNIJ-OLZOCXBDSA-N 0 3 380.286 2.391 10 0 GEAEHN Nc1nc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)c[nH]1 ZINC000013472191 206295112 /nfs/dbraw/zinc/29/51/12/206295112.db2.gz QKJAXHBFQSBDAR-OWOJBTEDSA-N 0 3 389.051 2.288 10 0 in-vivo GEAEHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccco1)C2 ZINC000014532474 207022059 /nfs/dbraw/zinc/02/20/59/207022059.db2.gz LXPLYCUCTZFBKR-INIZCTEOSA-N 0 3 386.496 2.252 10 0 GEAEHN COCCN1C(=O)CC[C@@H]2CN(Cc3ccc(OC)c(C)c3OC)CC[C@@H]21 ZINC000014889349 207031377 /nfs/dbraw/zinc/03/13/77/207031377.db2.gz RTSBVQAUKKXJPR-AEFFLSMTSA-N 0 3 376.497 2.472 10 0 GEAEHN COc1ccc(C(=O)NC[C@H]2COCCO2)cc1OC1CCN(C(C)C)CC1 ZINC000014979124 207036445 /nfs/dbraw/zinc/03/64/45/207036445.db2.gz FTVFGFDZNRSPKK-SFHVURJKSA-N 0 3 392.496 2.092 10 0 GEAEHN CN(C)CCNC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000034685309 570301917 /nfs/dbraw/zinc/30/19/17/570301917.db2.gz VNKICMSEBRMYFZ-UHFFFAOYSA-N 0 3 380.536 2.071 10 0 GEAEHN CCN1CCN(C(=O)[C@H]2C[C@@](C)(C(=O)OC)N(C)[C@H]2c2ccccc2C)CC1 ZINC000012578087 570683007 /nfs/dbraw/zinc/68/30/07/570683007.db2.gz STVAFTDJEDCRJY-IPJJNNNSSA-N 0 3 387.524 2.084 10 0 GEAEHN C[C@@H](NC(N)=O)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000068936266 643017388 /nfs/dbraw/zinc/01/73/88/643017388.db2.gz QAELEURIDPURCB-GFCCVEGCSA-N 0 3 387.311 2.475 10 0 GEAEHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000106098355 643221036 /nfs/dbraw/zinc/22/10/36/643221036.db2.gz ZBELTGZRWMKLLQ-UONOGXRCSA-N 0 3 384.318 2.165 10 0 GEAEHN CN(C(=O)c1cc(Br)c[nH]1)C1CCN(CCn2cccn2)CC1 ZINC000109292352 643291948 /nfs/dbraw/zinc/29/19/48/643291948.db2.gz VLGBXMQAUOYYQF-UHFFFAOYSA-N 0 3 380.290 2.210 10 0 GEAEHN CN(C(=O)c1cc(Br)cn1C)C1CCN(CCn2cccn2)CC1 ZINC000109365058 643294106 /nfs/dbraw/zinc/29/41/06/643294106.db2.gz LILBQDKDFXDQCJ-UHFFFAOYSA-N 0 3 394.317 2.221 10 0 GEAEHN CN(C)[C@H]1CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000111606425 643342619 /nfs/dbraw/zinc/34/26/19/643342619.db2.gz KSAKXZUSEKMOGO-FPTDNZKUSA-N 0 3 387.343 2.499 10 0 GEAEHN CN(C)C[C@H]1CN(Cc2noc(Cc3ccc(Br)cc3)n2)CCO1 ZINC000111690701 643345441 /nfs/dbraw/zinc/34/54/41/643345441.db2.gz VNEDFOCSEUXSID-HNNXBMFYSA-N 0 3 395.301 2.185 10 0 GEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000116900552 643475766 /nfs/dbraw/zinc/47/57/66/643475766.db2.gz GZWSYBDYUGDIFY-LLVKDONJSA-N 0 3 386.823 2.310 10 0 GEAEHN CCC[C@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)N(C)C ZINC000130527576 643842310 /nfs/dbraw/zinc/84/23/10/643842310.db2.gz AYTLWSUHXBVECU-MRXNPFEDSA-N 0 3 396.329 2.464 10 0 GEAEHN Cn1c(Cl)c(Cl)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159274160 644184394 /nfs/dbraw/zinc/18/43/94/644184394.db2.gz YUEKSMMWABVGHP-AWEZNQCLSA-N 0 3 382.291 2.481 10 0 GEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CC(=O)N(C)c2nccs2)C1 ZINC000195252416 645366501 /nfs/dbraw/zinc/36/65/01/645366501.db2.gz VSFCAFHGIVJWSA-AWEZNQCLSA-N 0 3 379.555 2.325 10 0 GEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000246105130 645475255 /nfs/dbraw/zinc/47/52/55/645475255.db2.gz HRNCOQWGVWISTP-KGLIPLIRSA-N 0 3 386.901 2.374 10 0 GEAEHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000247221427 645508002 /nfs/dbraw/zinc/50/80/02/645508002.db2.gz MINXSDYZICPDOO-STQMWFEESA-N 0 3 375.897 2.324 10 0 GEAEHN CCN(CC1CC1)S(=O)(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000248722847 645535411 /nfs/dbraw/zinc/53/54/11/645535411.db2.gz GQGCRJRSMRBZAQ-INIZCTEOSA-N 0 3 386.587 2.182 10 0 GEAEHN C[NH2+][C@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000261652542 645593061 /nfs/dbraw/zinc/59/30/61/645593061.db2.gz MWPJSKBKGDRKEH-SSDOTTSWSA-N 0 3 375.210 2.354 10 0 GEAEHN Cc1nc(-c2ccc(S(=O)(=O)N3CCO[C@H](CN(C)C)C3)s2)cs1 ZINC000120681705 531988158 /nfs/dbraw/zinc/98/81/58/531988158.db2.gz DTLJSAUPZFWUNG-GFCCVEGCSA-N 0 3 387.552 2.131 10 0 GEAEHN Cc1ccc([C@@H](CN[C@@H](C)C(=O)NCC(F)(F)F)N2CCOCC2)s1 ZINC000173645923 532023893 /nfs/dbraw/zinc/02/38/93/532023893.db2.gz XRWZFAHEBWFLRC-QWHCGFSZSA-N 0 3 379.448 2.086 10 0 GEAEHN COc1ccc(S(=O)(=O)N2C[C@H](N(C)C)[C@@H](C)C2)cc1Br ZINC000124009391 532112801 /nfs/dbraw/zinc/11/28/01/532112801.db2.gz QEYJAAQNDCDHGN-GWCFXTLKSA-N 0 3 377.304 2.028 10 0 GEAEHN C[C@@H](O)CN1CCN(CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000124588781 532125439 /nfs/dbraw/zinc/12/54/39/532125439.db2.gz ZQUUAWZPWFBMOJ-UONOGXRCSA-N 0 3 384.318 2.165 10 0 GEAEHN C[C@@H]1CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000177260639 532166355 /nfs/dbraw/zinc/16/63/55/532166355.db2.gz MXOCLSKPRVSKLG-KMFMINBZSA-N 0 3 389.323 2.386 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000177027174 532159629 /nfs/dbraw/zinc/15/96/29/532159629.db2.gz UHAPDSNEFYXBLF-CYBMUJFWSA-N 0 3 387.933 2.147 10 0 GEAEHN O=C(c1cc(F)c(F)cc1I)N1CCN2CCC[C@@H]2C1 ZINC000177549260 532175509 /nfs/dbraw/zinc/17/55/09/532175509.db2.gz IQZKOWIUNJQLGJ-SECBINFHSA-N 0 3 392.187 2.490 10 0 GEAEHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1ccc(I)cc1 ZINC000178620589 532207378 /nfs/dbraw/zinc/20/73/78/532207378.db2.gz BUYWFLTVILXOPZ-CQSZACIVSA-N 0 3 385.249 2.010 10 0 GEAEHN O=C(c1ccnc(Cl)c1I)N1CCN2CCC[C@@H]2C1 ZINC000179659673 532240169 /nfs/dbraw/zinc/24/01/69/532240169.db2.gz YSFNERIWDRQZFF-SECBINFHSA-N 0 3 391.640 2.260 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000179822027 532246273 /nfs/dbraw/zinc/24/62/73/532246273.db2.gz HXTWDANJYUIVFB-LBPRGKRZSA-N 0 3 383.290 2.034 10 0 GEAEHN CC(=O)N(C)C1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000194918988 532462670 /nfs/dbraw/zinc/46/26/70/532462670.db2.gz LXZVKSNFLVDBKQ-MRXNPFEDSA-N 0 3 385.302 2.132 10 0 GEAEHN C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@H]1N(C)C ZINC000251861336 532572543 /nfs/dbraw/zinc/57/25/43/532572543.db2.gz SMGZKVZUCHEHDH-PSASIEDQSA-N 0 3 382.711 2.068 10 0 GEAEHN O=C(c1ccc(N2CCN3CCC[C@@H]3C2)nc1)N1CCC(Cn2cccn2)CC1 ZINC000012594984 207324599 /nfs/dbraw/zinc/32/45/99/207324599.db2.gz YBGOYYQSYKGFBP-HXUWFJFHSA-N 0 3 394.523 2.115 10 0 GEAEHN c1nc2n(c1-c1ccc3c(c1)OCCO3)C[C@H](CNCc1cccnc1)OC2 ZINC000096296441 209014176 /nfs/dbraw/zinc/01/41/76/209014176.db2.gz NZMWELPLULCFSC-KRWDZBQOSA-N 0 3 378.432 2.405 10 0 GEAEHN CN1CCN(c2cc(NCCN3CCOCC3)c3cc(Cl)ccc3n2)CC1 ZINC000253495286 209042655 /nfs/dbraw/zinc/04/26/55/209042655.db2.gz VADDTMYXVBSMFL-UHFFFAOYSA-N 0 3 389.931 2.384 10 0 GEAEHN CN1CCC(N2CCN(C(=O)CCc3cc4ccccc4[nH]c3=O)CC2)CC1 ZINC000065245410 222114102 /nfs/dbraw/zinc/11/41/02/222114102.db2.gz FTYKDZOFYZJWND-UHFFFAOYSA-N 0 3 382.508 2.111 10 0 GEAEHN O=C(NCCN1CCCC1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000011878635 570442974 /nfs/dbraw/zinc/44/29/74/570442974.db2.gz CKJOLIDWIZXNBX-UHFFFAOYSA-N 0 3 385.508 2.292 10 0 GEAEHN O[C@@H](CNC[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2ccccc2O1 ZINC000065739643 570774478 /nfs/dbraw/zinc/77/44/78/570774478.db2.gz JMAVJQLYDMPPMQ-GPHNJDIKSA-N 0 3 387.451 2.225 10 0 in-vitro GEAEHN Cc1cc(NC(=O)[C@@H](C)N[C@H]2CCc3ncnn3C2)ccc1Br ZINC000112550222 643365062 /nfs/dbraw/zinc/36/50/62/643365062.db2.gz SQEHIMQGHYPEMR-YPMHNXCESA-N 0 3 378.274 2.281 10 0 GEAEHN COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCC[NH2+][C@H]1C ZINC000193464543 645276002 /nfs/dbraw/zinc/27/60/02/645276002.db2.gz WOFKOIIIUQLOBC-GZMMTYOYSA-N 0 3 381.267 2.016 10 0 GEAEHN COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCC[NH2+][C@@H]1C ZINC000193464558 645276224 /nfs/dbraw/zinc/27/62/24/645276224.db2.gz WOFKOIIIUQLOBC-KCJUWKMLSA-N 0 3 381.267 2.016 10 0 GEAEHN COc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](N(C)C)C2)cc1Br ZINC000228129678 645394887 /nfs/dbraw/zinc/39/48/87/645394887.db2.gz QEYJAAQNDCDHGN-GXFFZTMASA-N 0 3 377.304 2.028 10 0 GEAEHN COc1c(CNCCCNC(=O)c2cccc(Br)c2)c(C)nn1C ZINC000237141349 645424924 /nfs/dbraw/zinc/42/49/24/645424924.db2.gz OTJKBPORAAPTGS-UHFFFAOYSA-N 0 3 395.301 2.409 10 0 GEAEHN Cn1cc([C@H]2CCN(C[C@@H](O)COc3cccc(Br)c3)C2)cn1 ZINC000246787403 645494403 /nfs/dbraw/zinc/49/44/03/645494403.db2.gz ACNHOMSKYADUBS-XJKSGUPXSA-N 0 3 380.286 2.412 10 0 GEAEHN O[C@@H](COc1cccc(Br)c1)CN1CCC[C@@H](n2cncn2)C1 ZINC000247813132 645519685 /nfs/dbraw/zinc/51/96/85/645519685.db2.gz VLSPXDINAGWKNG-HUUCEWRRSA-N 0 3 381.274 2.117 10 0 GEAEHN C[C@H](O)CN1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000247808363 645519788 /nfs/dbraw/zinc/51/97/88/645519788.db2.gz UAFUKOGUMCZQHR-MELADBBJSA-N 0 3 377.312 2.120 10 0 GEAEHN C[C@H](O)CN1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000247808877 645519802 /nfs/dbraw/zinc/51/98/02/645519802.db2.gz UEDCBBUZVVGSBQ-IPYPFGDCSA-N 0 3 377.312 2.120 10 0 GEAEHN C[NH2+][C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000261652543 645593178 /nfs/dbraw/zinc/59/31/78/645593178.db2.gz MWPJSKBKGDRKEH-ZETCQYMHSA-N 0 3 375.210 2.354 10 0 GEAEHN Cc1ccc(I)cc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000155201870 531665110 /nfs/dbraw/zinc/66/51/10/531665110.db2.gz IVZXMMCYPWYCOH-ZDUSSCGKSA-N 0 3 388.249 2.002 10 0 GEAEHN C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000172124263 531934804 /nfs/dbraw/zinc/93/48/04/531934804.db2.gz VKPWKULUSRGVSU-CJNGLKHVSA-N 0 3 384.318 2.352 10 0 GEAEHN C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cccc(Br)c1 ZINC000114167644 531955724 /nfs/dbraw/zinc/95/57/24/531955724.db2.gz XCTPIIHNKHQXLC-TZMCWYRMSA-N 0 3 382.302 2.036 10 0 GEAEHN O=C(CCN1CC[C@H](N2CCOCC2)C1)Nc1cccc(Br)c1 ZINC000173609598 532023430 /nfs/dbraw/zinc/02/34/30/532023430.db2.gz HYTSZKLAGXACNA-INIZCTEOSA-N 0 3 382.302 2.184 10 0 GEAEHN COc1cc(NC(=O)NC[C@@H](O)CN2CCCCC2)ccc1Br ZINC000175026699 532086358 /nfs/dbraw/zinc/08/63/58/532086358.db2.gz WNQYSKFDQNPHFL-CYBMUJFWSA-N 0 3 386.290 2.426 10 0 GEAEHN Cc1csc([C@H]2CCCN(CCC(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000177032252 532159489 /nfs/dbraw/zinc/15/94/89/532159489.db2.gz VMTBHSQDOOXXBO-NSHDSACASA-N 0 3 378.420 2.409 10 0 GEAEHN C[C@@H](C(=O)Nc1cccc(I)c1)N1CCN2CCC[C@@H]2C1 ZINC000178637877 532208447 /nfs/dbraw/zinc/20/84/47/532208447.db2.gz YWUSBGCSEPQOEB-SWLSCSKDSA-N 0 3 399.276 2.398 10 0 GEAEHN CCOCCO[C@H]1CCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000178921113 532218086 /nfs/dbraw/zinc/21/80/86/532218086.db2.gz DSWDKXNHNPFDFF-RDJZCZTQSA-N 0 3 388.302 2.316 10 0 GEAEHN Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)c(Br)n1 ZINC000179513295 532233737 /nfs/dbraw/zinc/23/37/37/532233737.db2.gz AQHWKMBYKDOGCK-LBPRGKRZSA-N 0 3 385.306 2.184 10 0 GEAEHN O=C(CCc1cc(F)ccc1Br)NC[C@@H](O)CN1CCCCC1 ZINC000183662746 532327363 /nfs/dbraw/zinc/32/73/63/532327363.db2.gz HAKBABYTQGMOOQ-OAHLLOKOSA-N 0 3 387.293 2.484 10 0 GEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193631507 532427633 /nfs/dbraw/zinc/42/76/33/532427633.db2.gz VPRSAUVZJCUTRA-CYBMUJFWSA-N 0 3 383.290 2.019 10 0 GEAEHN COC(=O)C[C@@H]1N[C@@H](c2ccccc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000020247143 206296985 /nfs/dbraw/zinc/29/69/85/206296985.db2.gz WKDOKAJMYXLYHS-LEAZDLGRSA-N 0 3 378.428 2.064 10 0 GEAEHN COc1cc(CNCc2cc(C)no2)ccc1OC[C@H](O)CN1CCCC1 ZINC000014978812 207037328 /nfs/dbraw/zinc/03/73/28/207037328.db2.gz GPBAIGINIVOOFP-QGZVFWFLSA-N 0 3 375.469 2.117 10 0 GEAEHN O[C@@H](COc1ccc(CN2CCOCC2)cc1)CN1CCc2ccccc2C1 ZINC000015075297 207046009 /nfs/dbraw/zinc/04/60/09/207046009.db2.gz MTCTZZLMLFXYRH-JOCHJYFZSA-N 0 3 382.504 2.317 10 0 GEAEHN Cc1noc2ncnc(N3CCC(C(=O)NCCN4CCCC[C@@H]4C)CC3)c12 ZINC000020944881 207221779 /nfs/dbraw/zinc/22/17/79/207221779.db2.gz BNVVMWWAOHWJIM-AWEZNQCLSA-N 0 3 386.500 2.133 10 0 GEAEHN O=C(C1CCC1)N1CCc2nc[nH]c2C12CCN(Cc1ccc(CO)o1)CC2 ZINC000091587464 208124719 /nfs/dbraw/zinc/12/47/19/208124719.db2.gz XASPTCAQZHLZLK-UHFFFAOYSA-N 0 3 384.480 2.171 10 0 GEAEHN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H]1CNC[C@H](C(=O)OC(C)(C)C)C1 ZINC000675060939 570903685 /nfs/dbraw/zinc/90/36/85/570903685.db2.gz SBDKOUYJEMEIHL-OAGGEKHMSA-N 0 3 383.533 2.247 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)N[C@H]2CCc3c2cccc3Br)CCO1 ZINC000117044754 643480741 /nfs/dbraw/zinc/48/07/41/643480741.db2.gz JBJQYQWRTYOJFO-LRDDRELGSA-N 0 3 382.302 2.408 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)NCC2(c3cccc(Br)c3)CC2)CCO1 ZINC000117051758 643480797 /nfs/dbraw/zinc/48/07/97/643480797.db2.gz KJAPZNIBNQEHOE-INIZCTEOSA-N 0 3 396.329 2.453 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccccc2I)CCO1 ZINC000118788091 643522285 /nfs/dbraw/zinc/52/22/85/643522285.db2.gz MMPIPVPQAJZHLP-NSHDSACASA-N 0 3 389.237 2.086 10 0 GEAEHN CC(=O)N1CCN(C(=O)[C@@H](C)N[C@H](C)c2cccc(Br)c2)CC1 ZINC000130935049 643856191 /nfs/dbraw/zinc/85/61/91/643856191.db2.gz OCVSSWCOKOJBQX-CHWSQXEVSA-N 0 3 382.302 2.179 10 0 GEAEHN CN(Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000192938516 645232983 /nfs/dbraw/zinc/23/29/83/645232983.db2.gz CSPQQJFGVPUDPF-OAHLLOKOSA-N 0 3 380.901 2.273 10 0 GEAEHN C[C@@H](NC(=O)[C@H](C)N[C@@H](C)c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000193220430 645252410 /nfs/dbraw/zinc/25/24/10/645252410.db2.gz XGCPUKATCGFLTK-AGIUHOORSA-N 0 3 381.523 2.312 10 0 GEAEHN COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C[NH3+] ZINC000193291533 645262984 /nfs/dbraw/zinc/26/29/84/645262984.db2.gz XTRASLMPZPBBEK-GZMMTYOYSA-N 0 3 381.267 2.003 10 0 GEAEHN Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CCC[N-]C(=O)C(F)(F)F)C1 ZINC000195254647 645366544 /nfs/dbraw/zinc/36/65/44/645366544.db2.gz HOWUCIXDLSOYMB-ZDUSSCGKSA-N 0 3 378.464 2.274 10 0 GEAEHN Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](CCC[N-]C(=O)C(F)(F)F)C1 ZINC000195254647 645366548 /nfs/dbraw/zinc/36/65/48/645366548.db2.gz HOWUCIXDLSOYMB-ZDUSSCGKSA-N 0 3 378.464 2.274 10 0 GEAEHN COCCn1c(C(=O)NCCN2CCCC2)cc2oc(Br)cc21 ZINC000223717427 645387602 /nfs/dbraw/zinc/38/76/02/645387602.db2.gz GOHILFTVIVDWFH-UHFFFAOYSA-N 0 3 384.274 2.469 10 0 GEAEHN O[C@@H](COc1ccc(Cl)cc1Cl)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246805347 645495494 /nfs/dbraw/zinc/49/54/94/645495494.db2.gz BHOOMVROUTYYLI-HUUCEWRRSA-N 0 3 375.296 2.140 10 0 GEAEHN C[C@H](O)CN1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000247808129 645519579 /nfs/dbraw/zinc/51/95/79/645519579.db2.gz UAFUKOGUMCZQHR-HZSPNIEDSA-N 0 3 377.312 2.120 10 0 GEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000262112927 645617796 /nfs/dbraw/zinc/61/77/96/645617796.db2.gz HGMYYXRFJVXJAT-SLEUVZQESA-N 0 3 397.317 2.395 10 0 GEAEHN C[C@@H](Cc1ccccc1Br)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000152622710 531562361 /nfs/dbraw/zinc/56/23/61/531562361.db2.gz PZRVIYYHPAWOJH-DZGCQCFKSA-N 0 3 384.318 2.352 10 0 GEAEHN CN(C)C[C@@H]1CN(Cc2nc(-c3cc(Br)cs3)no2)CCO1 ZINC000155305262 531674507 /nfs/dbraw/zinc/67/45/07/531674507.db2.gz RQSKJAVHIXWDQC-LLVKDONJSA-N 0 3 387.303 2.323 10 0 GEAEHN Cc1cc(NC(=O)[C@H](C)N2CCO[C@H](CN(C)C)C2)ccc1Br ZINC000155367365 531680155 /nfs/dbraw/zinc/68/01/55/531680155.db2.gz OEWZUDKRRISVIK-DZGCQCFKSA-N 0 3 384.318 2.347 10 0 GEAEHN CCCNc1nnc(S(=O)(=O)C(C)C(=O)N[C@@H](C)c2ccccc2)s1 ZINC000061042148 531848995 /nfs/dbraw/zinc/84/89/95/531848995.db2.gz JHUKRNMBVRCMNP-RYUDHWBXSA-N 0 3 382.511 2.400 10 0 GEAEHN NC(=O)CC[C@H]1CCCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000170731726 531890885 /nfs/dbraw/zinc/89/08/85/531890885.db2.gz XHUHTTKHDFWUPC-HIFRSBDPSA-N 0 3 385.302 2.166 10 0 GEAEHN CC(C)N1C[C@H](NC(=O)c2cc(Cn3cc(Br)cn3)on2)[C@@H](C)C1 ZINC000122129051 532058166 /nfs/dbraw/zinc/05/81/66/532058166.db2.gz KWXDGDRDPCMAIV-NHYWBVRUSA-N 0 3 396.289 2.140 10 0 GEAEHN COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)cc1Br ZINC000124009220 532112459 /nfs/dbraw/zinc/11/24/59/532112459.db2.gz QEYJAAQNDCDHGN-MFKMUULPSA-N 0 3 377.304 2.028 10 0 GEAEHN C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@@H]1N(C)C ZINC000124023448 532112547 /nfs/dbraw/zinc/11/25/47/532112547.db2.gz SMGZKVZUCHEHDH-SCZZXKLOSA-N 0 3 382.711 2.068 10 0 GEAEHN COc1ccc(Br)cc1S(=O)(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000124029076 532113178 /nfs/dbraw/zinc/11/31/78/532113178.db2.gz JDOBEBPCAGQQJM-JQWIXIFHSA-N 0 3 377.304 2.028 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000176901291 532154222 /nfs/dbraw/zinc/15/42/22/532154222.db2.gz JFUCKBOLDHYTOL-GFCCVEGCSA-N 0 3 386.265 2.469 10 0 GEAEHN COc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1I ZINC000178231787 532197235 /nfs/dbraw/zinc/19/72/35/532197235.db2.gz SYAAGENWIGIJTQ-LBPRGKRZSA-N 0 3 386.233 2.220 10 0 GEAEHN CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000136181028 532283085 /nfs/dbraw/zinc/28/30/85/532283085.db2.gz QVZIYXIDBYJMTR-ZDUSSCGKSA-N 0 3 398.301 2.337 10 0 GEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183607267 532326456 /nfs/dbraw/zinc/32/64/56/532326456.db2.gz YFFPPUJORGMRQQ-WDEREUQCSA-N 0 3 394.269 2.089 10 0 GEAEHN CCC[C@H](C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)N(C)C ZINC000190214651 532355264 /nfs/dbraw/zinc/35/52/64/532355264.db2.gz VZRRAUBXZACSEK-LLVKDONJSA-N 0 3 379.452 2.326 10 0 GEAEHN CCC[C@@H](C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)N(C)C ZINC000190214634 532355395 /nfs/dbraw/zinc/35/53/95/532355395.db2.gz VZRRAUBXZACSEK-NSHDSACASA-N 0 3 379.452 2.326 10 0 GEAEHN CN(C(=O)c1ccoc1Br)C1CCN(CCn2cccn2)CC1 ZINC000193859168 532432617 /nfs/dbraw/zinc/43/26/17/532432617.db2.gz ZXPKKCOLHSDVRH-UHFFFAOYSA-N 0 3 381.274 2.475 10 0 GEAEHN CC(=O)N(C)C1CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000194918977 532463653 /nfs/dbraw/zinc/46/36/53/532463653.db2.gz LXZVKSNFLVDBKQ-INIZCTEOSA-N 0 3 385.302 2.132 10 0 GEAEHN CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCc1ccc(C)o1)C2 ZINC000014534139 207023619 /nfs/dbraw/zinc/02/36/19/207023619.db2.gz PGLIRWHPULEZLL-QGZVFWFLSA-N 0 3 399.539 2.229 10 0 GEAEHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccsc1)C2 ZINC000014732838 207026552 /nfs/dbraw/zinc/02/65/52/207026552.db2.gz YERLLKBMAHJDNX-CQSZACIVSA-N 0 3 376.551 2.318 10 0 GEAEHN CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](N1CCC(CO)CC1)C2 ZINC000014732188 207026800 /nfs/dbraw/zinc/02/68/00/207026800.db2.gz JTRMXRYNDFFDNW-GOSISDBHSA-N 0 3 388.556 2.481 10 0 GEAEHN CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H](NCc1ccc(C)o1)C2 ZINC000014752045 207029447 /nfs/dbraw/zinc/02/94/47/207029447.db2.gz XPPZJVIRESZLPK-KRWDZBQOSA-N 0 3 399.539 2.229 10 0 GEAEHN CCCN1C[C@@H](NS(=O)(=O)N(CC)CC)C[C@@H]2Cc3c(O)cccc3C[C@@H]21 ZINC000031274831 207380679 /nfs/dbraw/zinc/38/06/79/207380679.db2.gz GDFGTRDCCWFXTG-AOIWGVFYSA-N 0 3 395.569 2.136 10 0 in-man GEAEHN CN(CCn1cc(C(=O)N2CCN(C)CC2)nn1)Cc1cc2ccccc2s1 ZINC000299755312 209083246 /nfs/dbraw/zinc/08/32/46/209083246.db2.gz GVKARZZXZWZIDA-UHFFFAOYSA-N 0 3 398.536 2.012 10 0 GEAEHN CC(C)c1ccccc1NC(=O)CCC(=O)NCCN1CCCC[C@@H]1CO ZINC000055341037 570691811 /nfs/dbraw/zinc/69/18/11/570691811.db2.gz OBRGXLNVDJQTDO-QGZVFWFLSA-N 0 3 375.513 2.492 10 0 GEAEHN O=C(NCCN1CCCC1)[C@H]1CN(C(=O)c2ccncc2)CC12CCCCC2 ZINC000065266181 570769310 /nfs/dbraw/zinc/76/93/10/570769310.db2.gz PZJHWLMSTIYUSG-LJQANCHMSA-N 0 3 384.524 2.316 10 0 GEAEHN C[C@H](C(=O)NC[C@H]1CCCO1)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000583615012 570799971 /nfs/dbraw/zinc/79/99/71/570799971.db2.gz MELPXSTYIKFLHM-HZSPNIEDSA-N 0 3 388.434 2.080 10 0 GEAEHN COCCN(C)c1cnn([C@H]2CCCN(CCc3cccs3)C2)c(=O)c1 ZINC000583619572 570800538 /nfs/dbraw/zinc/80/05/38/570800538.db2.gz UWGASLBRZWUNAM-INIZCTEOSA-N 0 3 376.526 2.267 10 0 GEAEHN COc1ccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c(Br)c1OC ZINC000106097759 643220644 /nfs/dbraw/zinc/22/06/44/643220644.db2.gz FQWAEILEEUMTEK-CHWSQXEVSA-N 0 3 387.318 2.353 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CCO1 ZINC000116795262 643469963 /nfs/dbraw/zinc/46/99/63/643469963.db2.gz QDCSRMHPVYMRSJ-OAHLLOKOSA-N 0 3 393.285 2.037 10 0 GEAEHN C[C@H](Cc1cccc(Br)c1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117039329 643480598 /nfs/dbraw/zinc/48/05/98/643480598.db2.gz DNRZFMIEIJIGSD-CJNGLKHVSA-N 0 3 384.318 2.352 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccccc2I)CCO1 ZINC000118788089 643522426 /nfs/dbraw/zinc/52/24/26/643522426.db2.gz MMPIPVPQAJZHLP-LLVKDONJSA-N 0 3 389.237 2.086 10 0 GEAEHN CC[C@H](O)CN1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000118857541 643524958 /nfs/dbraw/zinc/52/49/58/643524958.db2.gz NOIQXNYYUHNPOI-INIZCTEOSA-N 0 3 384.318 2.166 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000119921010 643579421 /nfs/dbraw/zinc/57/94/21/643579421.db2.gz NPPZUHGFVGQZSZ-GFCCVEGCSA-N 0 3 386.265 2.469 10 0 GEAEHN CC(=O)N1CCN(C(=O)[C@@H](C)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000130934842 643855985 /nfs/dbraw/zinc/85/59/85/643855985.db2.gz OCVSSWCOKOJBQX-QWHCGFSZSA-N 0 3 382.302 2.179 10 0 GEAEHN C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000192930939 645231449 /nfs/dbraw/zinc/23/14/49/645231449.db2.gz HVRPVIUXYZEBJL-SWLSCSKDSA-N 0 3 384.885 2.078 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000193421076 645271232 /nfs/dbraw/zinc/27/12/32/645271232.db2.gz WOYIKKUTEYNTIX-GFCCVEGCSA-N 0 3 383.290 2.034 10 0 GEAEHN COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](N(C)C)C2)cc1Br ZINC000228129664 645395196 /nfs/dbraw/zinc/39/51/96/645395196.db2.gz QEYJAAQNDCDHGN-ZWNOBZJWSA-N 0 3 377.304 2.028 10 0 GEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000236920125 645421146 /nfs/dbraw/zinc/42/11/46/645421146.db2.gz VFEFSCXVVYCHLV-IINYFYTJSA-N 0 3 382.511 2.494 10 0 GEAEHN COCCO[C@@H]1CCCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000245808853 645469463 /nfs/dbraw/zinc/46/94/63/645469463.db2.gz BWQRQDSNBTUPML-NVXWUHKLSA-N 0 3 388.302 2.316 10 0 GEAEHN C[C@H](O)CN1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000247808360 645519878 /nfs/dbraw/zinc/51/98/78/645519878.db2.gz UAFUKOGUMCZQHR-IHRRRGAJSA-N 0 3 377.312 2.120 10 0 GEAEHN N[C@H](C(=O)Nc1nccn1Cc1ccc(Br)cc1)C1CCOCC1 ZINC000261618514 645590811 /nfs/dbraw/zinc/59/08/11/645590811.db2.gz CABGCYRRHSMDAX-HNNXBMFYSA-N 0 3 393.285 2.386 10 0 GEAEHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2ccc(Br)cn2)C1 ZINC000702782783 653320345 /nfs/dbraw/zinc/32/03/45/653320345.db2.gz FOOYXZMVCONWEV-SMDDNHRTSA-N 0 3 386.290 2.162 10 0 GEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000154079719 531621462 /nfs/dbraw/zinc/62/14/62/531621462.db2.gz BMHCPSCWGVDSRH-HNNXBMFYSA-N 0 3 384.318 2.271 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)Cc2c[nH]c3cccc(Br)c23)CCO1 ZINC000155122457 531658603 /nfs/dbraw/zinc/65/86/03/531658603.db2.gz XHNPRQCZYNMWTE-ZDUSSCGKSA-N 0 3 380.286 2.262 10 0 GEAEHN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@H](CN(C)C)C2)ccc1Br ZINC000155367259 531680060 /nfs/dbraw/zinc/68/00/60/531680060.db2.gz OEWZUDKRRISVIK-UKRRQHHQSA-N 0 3 384.318 2.347 10 0 GEAEHN O=C(NCCc1ccc(Br)cc1)NC[C@H](O)CN1CCCCC1 ZINC000172338395 531947367 /nfs/dbraw/zinc/94/73/67/531947367.db2.gz KMQQJMIUFMHGOH-INIZCTEOSA-N 0 3 384.318 2.138 10 0 GEAEHN C[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@@H]1N1CCOCC1 ZINC000173889272 532041204 /nfs/dbraw/zinc/04/12/04/532041204.db2.gz QMZOHCIYXZYPMG-ABAIWWIYSA-N 0 3 393.285 2.118 10 0 GEAEHN O[C@H](COc1cc(Cl)ccc1Cl)CN1CC[C@H](N2CCOCC2)C1 ZINC000173951361 532044217 /nfs/dbraw/zinc/04/42/17/532044217.db2.gz WQBRMCPTGCUAQX-GJZGRUSLSA-N 0 3 375.296 2.140 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000176894698 532153806 /nfs/dbraw/zinc/15/38/06/532153806.db2.gz JXQCGAXOKVKJNA-CYBMUJFWSA-N 0 3 398.301 2.339 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000177020690 532159617 /nfs/dbraw/zinc/15/96/17/532159617.db2.gz JHSQGUPBTBZJFV-AWEZNQCLSA-N 0 3 387.933 2.147 10 0 GEAEHN CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177746212 532181693 /nfs/dbraw/zinc/18/16/93/532181693.db2.gz NCFPEMFOZZKASM-CYBMUJFWSA-N 0 3 396.285 2.093 10 0 GEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCO1 ZINC000151202191 532308017 /nfs/dbraw/zinc/30/80/17/532308017.db2.gz LHDAKLOEMNZTTL-SNVBAGLBSA-N 0 3 386.823 2.310 10 0 GEAEHN COCCN(C)CCN[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186164110 532339942 /nfs/dbraw/zinc/33/99/42/532339942.db2.gz WXBOIODHIYYXTM-KRWDZBQOSA-N 0 3 379.302 2.496 10 0 GEAEHN CN1CCO[C@H](CNCc2cc(Br)cc(Br)c2N)C1 ZINC000187341525 532344048 /nfs/dbraw/zinc/34/40/48/532344048.db2.gz QEMCDJCETCIFHJ-LLVKDONJSA-N 0 3 393.123 2.214 10 0 GEAEHN O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CCN2CCC[C@@H]2C1 ZINC000195317839 532474896 /nfs/dbraw/zinc/47/48/96/532474896.db2.gz ORBWXTALMANLBA-CYBMUJFWSA-N 0 3 376.507 2.306 10 0 GEAEHN N[C@H](C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)C1CCOCC1 ZINC000262168637 532587949 /nfs/dbraw/zinc/58/79/49/532587949.db2.gz YLZXDEZFWHMHFM-DYVFJYSZSA-N 0 3 396.329 2.146 10 0 GEAEHN NC1(C(=O)Nc2nccn2Cc2ccc(Br)cc2)CCOCC1 ZINC000261957157 532580080 /nfs/dbraw/zinc/58/00/80/532580080.db2.gz ZTRMTUXWGSCORD-UHFFFAOYSA-N 0 3 379.258 2.140 10 0 GEAEHN CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](N(C)Cc1ccsc1)C2 ZINC000014537500 207024209 /nfs/dbraw/zinc/02/42/09/207024209.db2.gz YTWVWCRHVGHGLV-INIZCTEOSA-N 0 3 388.537 2.426 10 0 GEAEHN Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@@H](NCc1ccncc1)C2 ZINC000014741014 207027718 /nfs/dbraw/zinc/02/77/18/207027718.db2.gz QUDIKKPIPCUXGL-OAHLLOKOSA-N 0 3 381.505 2.454 10 0 GEAEHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccccc1F)C2 ZINC000014740973 207027842 /nfs/dbraw/zinc/02/78/42/207027842.db2.gz INOJRYHWTZJUNS-OAHLLOKOSA-N 0 3 388.512 2.395 10 0 GEAEHN CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000004096464 560194058 /nfs/dbraw/zinc/19/40/58/560194058.db2.gz MLIQIRKAHMVCDD-MMGCJVFTSA-N 0 3 384.476 2.075 10 0 in-vitro GEAEHN COc1ccc(CN(CCN2CCOCC2)C[C@@H](O)Cc2ccccc2)cc1 ZINC000036102062 570538965 /nfs/dbraw/zinc/53/89/65/570538965.db2.gz ZLQKFBRJVXUUBA-QFIPXVFZSA-N 0 3 384.520 2.433 10 0 GEAEHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)Cn4ccnc4)C3)C2)c1OC ZINC000011936041 570593635 /nfs/dbraw/zinc/59/36/35/570593635.db2.gz ZKODUHMNHLGUKT-QFIPXVFZSA-N 0 3 398.507 2.415 10 0 GEAEHN CN(C)C[C@H]1CN(Cc2nc(-c3ccc(Br)s3)no2)CCO1 ZINC000114456731 643419231 /nfs/dbraw/zinc/41/92/31/643419231.db2.gz RYMCGOSFQBYFIW-JTQLQIEISA-N 0 3 387.303 2.323 10 0 GEAEHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CCO1 ZINC000116900938 643475932 /nfs/dbraw/zinc/47/59/32/643475932.db2.gz SLUOLVCIWUMCQM-NSHDSACASA-N 0 3 397.722 2.054 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000120573469 643620197 /nfs/dbraw/zinc/62/01/97/643620197.db2.gz SMANHJHJIGTGQL-YGRLFVJLSA-N 0 3 386.265 2.372 10 0 GEAEHN COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C[NH3+] ZINC000193291521 645262793 /nfs/dbraw/zinc/26/27/93/645262793.db2.gz XTRASLMPZPBBEK-KCJUWKMLSA-N 0 3 381.267 2.003 10 0 GEAEHN CCN1CCC[C@@H](NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C1 ZINC000194640734 645339437 /nfs/dbraw/zinc/33/94/37/645339437.db2.gz VFVQZGLOWHZATK-CQSZACIVSA-N 0 3 379.917 2.488 10 0 GEAEHN O[C@H](COc1cccc(Br)c1)CN1CCS[C@@H]2COCC[C@@H]21 ZINC000247494844 645510917 /nfs/dbraw/zinc/51/09/17/645510917.db2.gz ZWWFCCGYWLGNKU-CWRNSKLLSA-N 0 3 388.327 2.395 10 0 GEAEHN CN(C)Cc1ccc(N2CCN(C(=O)C[C@@H]3CSCCS3)CC2)nc1 ZINC000151455065 531502242 /nfs/dbraw/zinc/50/22/42/531502242.db2.gz KRGBIISHTFDGAX-MRXNPFEDSA-N 0 3 380.583 2.031 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CCO1 ZINC000152215065 531538564 /nfs/dbraw/zinc/53/85/64/531538564.db2.gz ZKGPDWWGXGCKMH-CQSZACIVSA-N 0 3 380.286 2.262 10 0 GEAEHN CN(C)C[C@H]1CN(Cc2nc(-c3cc(Br)cs3)no2)CCO1 ZINC000155305377 531674862 /nfs/dbraw/zinc/67/48/62/531674862.db2.gz RQSKJAVHIXWDQC-NSHDSACASA-N 0 3 387.303 2.323 10 0 GEAEHN CCCNC(=O)[C@H]1CCCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000050993768 531737884 /nfs/dbraw/zinc/73/78/84/531737884.db2.gz LTFXONSZXQKXEW-HOCLYGCPSA-N 0 3 399.329 2.427 10 0 GEAEHN CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C[NH3+] ZINC000091323955 531923601 /nfs/dbraw/zinc/92/36/01/531923601.db2.gz DOUMILQVZOTNQN-JQWIXIFHSA-N 0 3 377.304 2.254 10 0 GEAEHN COCCOC1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000172019913 531931727 /nfs/dbraw/zinc/93/17/27/531931727.db2.gz OMMOZCRIZRICLP-OAHLLOKOSA-N 0 3 388.302 2.316 10 0 GEAEHN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000172124258 531934730 /nfs/dbraw/zinc/93/47/30/531934730.db2.gz VKPWKULUSRGVSU-BBRMVZONSA-N 0 3 384.318 2.352 10 0 GEAEHN Cc1ccc(O[C@@H](C)C(=O)N2CCO[C@@H](CN(C)C)C2)c(Br)c1 ZINC000116783619 531960096 /nfs/dbraw/zinc/96/00/96/531960096.db2.gz OOPAUUSRNWMNMX-KBPBESRZSA-N 0 3 385.302 2.314 10 0 GEAEHN CN(C)C[C@@H]1CN(c2ncnc3ccc(I)cc32)CCO1 ZINC000172757240 531967164 /nfs/dbraw/zinc/96/71/64/531967164.db2.gz WBSIHZCLMCTTSW-GFCCVEGCSA-N 0 3 398.248 2.001 10 0 GEAEHN O=C(CCN1CC[C@@H](N2CCOCC2)C1)Nc1cccc(Br)c1 ZINC000173609614 532023531 /nfs/dbraw/zinc/02/35/31/532023531.db2.gz HYTSZKLAGXACNA-MRXNPFEDSA-N 0 3 382.302 2.184 10 0 GEAEHN CCC[C@@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)N(C)C ZINC000130244661 532191438 /nfs/dbraw/zinc/19/14/38/532191438.db2.gz MIDOFKNTVHNGPC-HNNXBMFYSA-N 0 3 384.318 2.416 10 0 GEAEHN COc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1I ZINC000178231771 532197178 /nfs/dbraw/zinc/19/71/78/532197178.db2.gz SYAAGENWIGIJTQ-GFCCVEGCSA-N 0 3 386.233 2.220 10 0 GEAEHN O[C@@H](CNCc1cncc(Br)c1)CN1CCc2ccccc2C1 ZINC000186587522 532341382 /nfs/dbraw/zinc/34/13/82/532341382.db2.gz WVFXUCKGKPLXAR-SFHVURJKSA-N 0 3 376.298 2.353 10 0 GEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000190360323 532355759 /nfs/dbraw/zinc/35/57/59/532355759.db2.gz BQEMEPUTWOBZBD-UONOGXRCSA-N 0 3 395.301 2.176 10 0 GEAEHN N[C@@H](C(=O)Nc1cc(F)c(I)c(F)c1)C1CCOCC1 ZINC000261957557 532579404 /nfs/dbraw/zinc/57/94/04/532579404.db2.gz KPZIZRKTRCTUKJ-GFCCVEGCSA-N 0 3 396.175 2.262 10 0 GEAEHN Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@H](NCc1ccncc1)C2 ZINC000014741013 207027590 /nfs/dbraw/zinc/02/75/90/207027590.db2.gz QUDIKKPIPCUXGL-HNNXBMFYSA-N 0 3 381.505 2.454 10 0 GEAEHN CN(C[C@@H]1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)c1cnn(C)c1 ZINC000095528390 208226157 /nfs/dbraw/zinc/22/61/57/208226157.db2.gz OLCDRUQHUGOSQF-KRWDZBQOSA-N 0 3 394.516 2.134 10 0 GEAEHN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H]1CNC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000536960623 570471132 /nfs/dbraw/zinc/47/11/32/570471132.db2.gz SBDKOUYJEMEIHL-JYJNAYRXSA-N 0 3 383.533 2.247 10 0 GEAEHN O=c1cc(CN2CCCCC2)nc(N2CCN(Cc3ccccc3F)CC2)[nH]1 ZINC000035925344 570479629 /nfs/dbraw/zinc/47/96/29/570479629.db2.gz NKFLTZMKBCPXII-UHFFFAOYSA-N 0 3 385.487 2.217 10 0 GEAEHN Cc1c(CNCCNC(=O)c2ccc(F)cc2)c2ccccc2n1CC(N)=O ZINC000067787636 570791182 /nfs/dbraw/zinc/79/11/82/570791182.db2.gz OGKJBHPSZSEGCW-UHFFFAOYSA-N 0 3 382.439 2.094 10 0 GEAEHN COc1ccc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)cc1Br ZINC000071192993 643059467 /nfs/dbraw/zinc/05/94/67/643059467.db2.gz TVRHPVUGPOJUFC-NSHDSACASA-N 0 3 377.304 2.030 10 0 GEAEHN C[C@@H](O)CN1CCN(Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C ZINC000106100672 643221551 /nfs/dbraw/zinc/22/15/51/643221551.db2.gz IMGJXVDKYFGPRY-QWHCGFSZSA-N 0 3 385.302 2.107 10 0 GEAEHN CN(C(=O)c1ccc(Br)o1)C1CCN(CCn2cccn2)CC1 ZINC000109292693 643292174 /nfs/dbraw/zinc/29/21/74/643292174.db2.gz QCHBKSSXHNGZQJ-UHFFFAOYSA-N 0 3 381.274 2.475 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CCO1 ZINC000116795264 643469832 /nfs/dbraw/zinc/46/98/32/643469832.db2.gz QDCSRMHPVYMRSJ-HNNXBMFYSA-N 0 3 393.285 2.037 10 0 GEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000116900724 643475894 /nfs/dbraw/zinc/47/58/94/643475894.db2.gz NEFAHGIEQLOVSJ-SNVBAGLBSA-N 0 3 386.823 2.310 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000119921172 643580051 /nfs/dbraw/zinc/58/00/51/643580051.db2.gz NPPZUHGFVGQZSZ-LBPRGKRZSA-N 0 3 386.265 2.469 10 0 GEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)[C@@H](C)C1 ZINC000120573617 643620130 /nfs/dbraw/zinc/62/01/30/643620130.db2.gz SMANHJHJIGTGQL-HZMBPMFUSA-N 0 3 386.265 2.372 10 0 GEAEHN COc1cc(Br)c(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1OC ZINC000170937480 644297656 /nfs/dbraw/zinc/29/76/56/644297656.db2.gz AENXKAYPGQMWIP-QWHCGFSZSA-N 0 3 387.318 2.353 10 0 GEAEHN O=C1CCCN1C1CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000171627382 644330708 /nfs/dbraw/zinc/33/07/08/644330708.db2.gz OSKHIFXAEJIQAJ-INIZCTEOSA-N 0 3 397.313 2.276 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182809623 644972476 /nfs/dbraw/zinc/97/24/76/644972476.db2.gz GQOOVDBONVSRHP-ZDUSSCGKSA-N 0 3 383.290 2.034 10 0 GEAEHN COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCC[NH2+][C@H]2C)c(Cl)cc1Cl ZINC000193452509 645274148 /nfs/dbraw/zinc/27/41/48/645274148.db2.gz UFPCEMDSZOKEEL-QPUJVOFHSA-N 0 3 381.281 2.199 10 0 GEAEHN C[C@H](O)CN1CCN(Cc2cc3c(cc2Br)OCCO3)C[C@H]1C ZINC000247581416 645514086 /nfs/dbraw/zinc/51/40/86/645514086.db2.gz IMGJXVDKYFGPRY-OLZOCXBDSA-N 0 3 385.302 2.107 10 0 GEAEHN CN(C[C@@H](O)CN1CCCC1=O)CC1(c2ccc(Br)cc2)CC1 ZINC000158098335 531763895 /nfs/dbraw/zinc/76/38/95/531763895.db2.gz QKTZKDMQCONVBA-MRXNPFEDSA-N 0 3 381.314 2.396 10 0 GEAEHN COC(=O)[C@H](C)CN(C[C@H](O)COc1cccc(Br)c1)C1CC1 ZINC000171300479 531904206 /nfs/dbraw/zinc/90/42/06/531904206.db2.gz IWVVKJYRKNIYGJ-DOMZBBRYSA-N 0 3 386.286 2.462 10 0 GEAEHN CN(C)[C@H]1CCN(C(=O)c2cc(I)c(F)cc2F)C1 ZINC000122310432 532065906 /nfs/dbraw/zinc/06/59/06/532065906.db2.gz QMGJVHQGLZKSJO-QMMMGPOBSA-N 0 3 380.176 2.346 10 0 GEAEHN CN(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000175978881 532120664 /nfs/dbraw/zinc/12/06/64/532120664.db2.gz MZMRATLMENPXBF-GFCCVEGCSA-N 0 3 387.933 2.193 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)CNC(=O)c1ccc(Br)s1 ZINC000177424311 532170863 /nfs/dbraw/zinc/17/08/63/532170863.db2.gz JAXRCTANLQITLJ-NSHDSACASA-N 0 3 388.331 2.183 10 0 GEAEHN C[C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1N1CCOCC1 ZINC000177281559 532167494 /nfs/dbraw/zinc/16/74/94/532167494.db2.gz DNQYTPKXCJZUPW-KEYYUXOJSA-N 0 3 389.323 2.386 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCO1 ZINC000177678120 532178699 /nfs/dbraw/zinc/17/86/99/532178699.db2.gz YCHRKIKSDKIRPL-VIFPVBQESA-N 0 3 394.686 2.374 10 0 GEAEHN O[C@H](COc1cccc(Br)c1)CN1CCS[C@H]2COCC[C@@H]21 ZINC000178585072 532206501 /nfs/dbraw/zinc/20/65/01/532206501.db2.gz ZWWFCCGYWLGNKU-BPUTZDHNSA-N 0 3 388.327 2.395 10 0 GEAEHN Cc1cc(I)ccc1NC(=O)CN1CCN2CCC[C@@H]2C1 ZINC000178623801 532207024 /nfs/dbraw/zinc/20/70/24/532207024.db2.gz XEWNJIBEIWCPQC-CQSZACIVSA-N 0 3 399.276 2.318 10 0 GEAEHN C[C@@H](O)CN1CCN(Cc2cc3c(cc2Br)OCCCO3)C[C@@H]1C ZINC000182234851 532310502 /nfs/dbraw/zinc/31/05/02/532310502.db2.gz HIGVXASULHALCY-UONOGXRCSA-N 0 3 399.329 2.497 10 0 GEAEHN C[C@@H](O)CN1CCN(Cc2cc3c(cc2Br)OCCCO3)C[C@H]1C ZINC000182234832 532310623 /nfs/dbraw/zinc/31/06/23/532310623.db2.gz HIGVXASULHALCY-ZIAGYGMSSA-N 0 3 399.329 2.497 10 0 GEAEHN Cc1cccc(CNC(=O)NC[C@@H](O)CN2CCCCC2)c1Br ZINC000190491560 532356340 /nfs/dbraw/zinc/35/63/40/532356340.db2.gz UAZCSYZNZDZSCN-OAHLLOKOSA-N 0 3 384.318 2.404 10 0 GEAEHN CS(=O)(=O)c1ccc(-c2nc(CN3CCN4CCC[C@H]4C3)cs2)cc1 ZINC000246212621 532533151 /nfs/dbraw/zinc/53/31/51/532533151.db2.gz AQJPKWAVCHBAFA-INIZCTEOSA-N 0 3 377.535 2.494 10 0 GEAEHN COC(=O)C[C@H]1N[C@@H](c2ccccc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000020247146 206297104 /nfs/dbraw/zinc/29/71/04/206297104.db2.gz WKDOKAJMYXLYHS-GTAWCEEGSA-N 0 3 378.428 2.064 10 0 GEAEHN CNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCc1ccncc1)CC2 ZINC000014542110 207024122 /nfs/dbraw/zinc/02/41/22/207024122.db2.gz KCGFFJMRQHUQEY-SFHVURJKSA-N 0 3 375.476 2.333 10 0 GEAEHN CN(C)CCN1CC2(CCC1=O)CCN(C(=O)Cc1cccc(F)c1F)CC2 ZINC000095367308 208163176 /nfs/dbraw/zinc/16/31/76/208163176.db2.gz OYCDXINXTIBSMZ-UHFFFAOYSA-N 0 3 393.478 2.300 10 0 GEAEHN CN(CCc1ccccc1)CCN1CC2(CCN(c3ncccn3)CC2)OC1=O ZINC000077407982 136172044 /nfs/dbraw/zinc/17/20/44/136172044.db2.gz NEYVRJMAVYIOIC-UHFFFAOYSA-N 0 3 395.507 2.442 10 0 GEAEHN Cc1ccc(C(N)=O)cc1NC(=O)c1ccnc(N2CCN(CC3CC3)CC2)c1 ZINC000040435176 570602963 /nfs/dbraw/zinc/60/29/63/570602963.db2.gz LLAXOCHUVDNUMW-UHFFFAOYSA-N 0 3 393.491 2.273 10 0 GEAEHN Cc1ccc(CN2CCC[C@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)s1 ZINC000583618308 570800417 /nfs/dbraw/zinc/80/04/17/570800417.db2.gz MTKYUQAUJRXCST-INIZCTEOSA-N 0 3 388.537 2.411 10 0 GEAEHN O=C(Nc1cccc(F)c1)N1NN=C2C(=O)N(Cc3cccc(F)c3)C(=O)C21 ZINC000012778517 571031970 /nfs/dbraw/zinc/03/19/70/571031970.db2.gz XMAIBWFIJXKJNA-HUUCEWRRSA-N 0 3 385.330 2.486 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)CCCOc2ccccc2Br)CCO1 ZINC000116787540 643469127 /nfs/dbraw/zinc/46/91/27/643469127.db2.gz ZJLKTGOZSGIIJV-CQSZACIVSA-N 0 3 385.302 2.397 10 0 GEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)/C=C/c2ccc(Br)cc2)CCO1 ZINC000116900279 643475983 /nfs/dbraw/zinc/47/59/83/643475983.db2.gz CTYROKSLGSFMAS-JOZWUWCOSA-N 0 3 389.315 2.012 10 0 GEAEHN CC(=O)N1CCN(C(=O)[C@H](C)N[C@H](C)c2cccc(Br)c2)CC1 ZINC000130934621 643856197 /nfs/dbraw/zinc/85/61/97/643856197.db2.gz OCVSSWCOKOJBQX-OLZOCXBDSA-N 0 3 382.302 2.179 10 0 GEAEHN CN(C)C[C@H]1CN(Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)CCO1 ZINC000152970817 643976167 /nfs/dbraw/zinc/97/61/67/643976167.db2.gz WVEFHTTXKNKRJT-HNNXBMFYSA-N 0 3 381.933 2.491 10 0 GEAEHN CC[C@@H]1CN(C[C@H](O)c2ccc(F)c(Br)c2)CCN1C[C@@H](C)O ZINC000185001212 645031504 /nfs/dbraw/zinc/03/15/04/645031504.db2.gz QPMKYWUULBYNDP-MRRJBJDNSA-N 0 3 389.309 2.399 10 0 GEAEHN CCN(CC1CC1)S(=O)(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000192932462 645232087 /nfs/dbraw/zinc/23/20/87/645232087.db2.gz GQGCRJRSMRBZAQ-MRXNPFEDSA-N 0 3 386.587 2.182 10 0 GEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(CC(=O)N(C)CC(F)(F)F)C1 ZINC000195265885 645367723 /nfs/dbraw/zinc/36/77/23/645367723.db2.gz SMAOVYURZUJPTK-CYBMUJFWSA-N 0 3 378.464 2.226 10 0 GEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000246333923 645479954 /nfs/dbraw/zinc/47/99/54/645479954.db2.gz GLJIINJDFBZBHT-IINYFYTJSA-N 0 3 386.265 2.372 10 0 GEAEHN C[C@H](O)CN1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000247808882 645519742 /nfs/dbraw/zinc/51/97/42/645519742.db2.gz UEDCBBUZVVGSBQ-YDHLFZDLSA-N 0 3 377.312 2.120 10 0 GEAEHN CN(C)C[C@H]1CN(S(=O)(=O)/C=C\c2cccc(Br)c2)CCO1 ZINC000255639760 645583831 /nfs/dbraw/zinc/58/38/31/645583831.db2.gz BRVQCUQRVGUDPM-AJHXJQRKSA-N 0 3 389.315 2.012 10 0 GEAEHN C[C@H](Cc1ccccc1Br)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000152622831 531563357 /nfs/dbraw/zinc/56/33/57/531563357.db2.gz PZRVIYYHPAWOJH-UKRRQHHQSA-N 0 3 384.318 2.352 10 0 GEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CCO1 ZINC000153973112 531614229 /nfs/dbraw/zinc/61/42/29/531614229.db2.gz LLDIWJBUFXAIIA-LLVKDONJSA-N 0 3 386.823 2.310 10 0 GEAEHN O=C(NCc1ccc(Br)s1)NC[C@H](O)CN1CCCCC1 ZINC000049190417 531733763 /nfs/dbraw/zinc/73/37/63/531733763.db2.gz KUNDLLMYTHRIFT-NSHDSACASA-N 0 3 376.320 2.157 10 0 GEAEHN Cc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1I ZINC000116783133 531960251 /nfs/dbraw/zinc/96/02/51/531960251.db2.gz GLNOVNMWOSFMDK-CYBMUJFWSA-N 0 3 388.249 2.002 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000177423500 532170202 /nfs/dbraw/zinc/17/02/02/532170202.db2.gz HCYPPEHJIMQUSO-OAHLLOKOSA-N 0 3 382.302 2.122 10 0 GEAEHN CC(C)N1C[C@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)[C@@H](C)C1 ZINC000150785632 532301884 /nfs/dbraw/zinc/30/18/84/532301884.db2.gz VIMLMXQZHBAUAC-WFASDCNBSA-N 0 3 394.313 2.183 10 0 GEAEHN Cc1ccc([C@H](CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)N2CCOCC2)s1 ZINC000183221944 532322217 /nfs/dbraw/zinc/32/22/17/532322217.db2.gz RAQMOHZNKFWNDU-BQFCYCMXSA-N 0 3 386.583 2.375 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000185570392 532338019 /nfs/dbraw/zinc/33/80/19/532338019.db2.gz BSZOOMGNRZRPNA-OAHLLOKOSA-N 0 3 395.301 2.402 10 0 GEAEHN C[C@@H](O)CN1CCN(CCOc2cc(F)cc(Br)c2)C[C@H]1C ZINC000188955924 532350438 /nfs/dbraw/zinc/35/04/38/532350438.db2.gz UZNPMNOLBXKHOV-CHWSQXEVSA-N 0 3 375.282 2.354 10 0 GEAEHN C[C@@H](NCCOCC(F)(F)C(F)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000189817212 532353845 /nfs/dbraw/zinc/35/38/45/532353845.db2.gz NUBUXKAQTOCWPW-SECBINFHSA-N 0 3 376.347 2.199 10 0 GEAEHN CN(C)[C@@H]1CCN(C(=O)c2nc(Br)ccc2Br)C1 ZINC000191184108 532359971 /nfs/dbraw/zinc/35/99/71/532359971.db2.gz KUXMKGZWLDDNGV-MRVPVSSYSA-N 0 3 377.080 2.383 10 0 GEAEHN O=C(CN1CCN2CCC[C@H]2C1)Nc1ccc(I)cc1 ZINC000246226308 532535726 /nfs/dbraw/zinc/53/57/26/532535726.db2.gz BUYWFLTVILXOPZ-AWEZNQCLSA-N 0 3 385.249 2.010 10 0 GEAEHN C[C@@H](NC[C@H](c1cccs1)N1CCO[C@H](C)C1)C(=O)NCC(F)(F)F ZINC000247252246 532545612 /nfs/dbraw/zinc/54/56/12/532545612.db2.gz YZVZXRSLSFOKPE-JHJVBQTASA-N 0 3 379.448 2.167 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000246662834 532543253 /nfs/dbraw/zinc/54/32/53/532543253.db2.gz KWXDGDRDPCMAIV-IAQYHMDHSA-N 0 3 396.289 2.140 10 0 GEAEHN C[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1N1CCOCC1 ZINC000246634784 532543381 /nfs/dbraw/zinc/54/33/81/532543381.db2.gz ZROZOSRRTWGXJT-FRFSOERESA-N 0 3 389.323 2.386 10 0 GEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000249240871 532561756 /nfs/dbraw/zinc/56/17/56/532561756.db2.gz WODSLLKMJPRMPL-PWSUYJOCSA-N 0 3 384.249 2.222 10 0 GEAEHN C[C@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)C[C@H]1N(C)C ZINC000251861338 532571537 /nfs/dbraw/zinc/57/15/37/532571537.db2.gz SMGZKVZUCHEHDH-WCBMZHEXSA-N 0 3 382.711 2.068 10 0 GEAEHN N[C@H](C(=O)Nc1cc(F)c(I)c(F)c1)C1CCOCC1 ZINC000261957558 532579767 /nfs/dbraw/zinc/57/97/67/532579767.db2.gz KPZIZRKTRCTUKJ-LBPRGKRZSA-N 0 3 396.175 2.262 10 0 GEAEHN CN(C(=O)c1ccc(F)cc1I)[C@@H](CN)C(F)(F)F ZINC000596002087 532580986 /nfs/dbraw/zinc/58/09/86/532580986.db2.gz RDRWFDOLGGLYOE-VIFPVBQESA-N 0 3 390.118 2.392 10 0 GEAEHN COc1ccc([C@H](CNc2cnn(C)c(=O)c2Br)N(C)C)cc1 ZINC000301223782 532744675 /nfs/dbraw/zinc/74/46/75/532744675.db2.gz DNTZQFDPOOVMAA-AWEZNQCLSA-N 0 3 381.274 2.266 10 0 GEAEHN COC(=O)C[C@H]1N[C@H](c2ccccc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000020247152 207187115 /nfs/dbraw/zinc/18/71/15/207187115.db2.gz WKDOKAJMYXLYHS-RSPOEFSDSA-N 0 3 378.428 2.064 10 0 GEAEHN CN1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)Cc2cccs2)CC3)C1 ZINC000091781011 208137824 /nfs/dbraw/zinc/13/78/24/208137824.db2.gz LQJBZYIKRCGAOX-MRXNPFEDSA-N 0 3 375.538 2.226 10 0 GEAEHN Cc1ccc(CN(CCN2CCOCC2)C[C@H](O)COCc2ccco2)s1 ZINC000036031878 570517862 /nfs/dbraw/zinc/51/78/62/570517862.db2.gz AITXJZFVGXOSFD-SFHVURJKSA-N 0 3 394.537 2.361 10 0 GEAEHN CN1CCN(CCCOc2ccccc2CNCc2csc(N)n2)CC1 ZINC000055270704 570689826 /nfs/dbraw/zinc/68/98/26/570689826.db2.gz WYQTVNCIGCKGPD-UHFFFAOYSA-N 0 3 375.542 2.031 10 0 GEAEHN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H]1CNC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000675060941 570903676 /nfs/dbraw/zinc/90/36/76/570903676.db2.gz SBDKOUYJEMEIHL-OWCLPIDISA-N 0 3 383.533 2.247 10 0 GEAEHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000106098372 643220769 /nfs/dbraw/zinc/22/07/69/643220769.db2.gz LKMMFPRSYDNASL-ZIAGYGMSSA-N 0 3 384.318 2.165 10 0 GEAEHN CN(C(=O)c1ccc(Br)cn1)C1CCN(CCn2cccn2)CC1 ZINC000109292742 643292160 /nfs/dbraw/zinc/29/21/60/643292160.db2.gz YYGPTKTZORWHNT-UHFFFAOYSA-N 0 3 392.301 2.277 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)NCCc2cc(Br)ccc2F)CCO1 ZINC000117039517 643480571 /nfs/dbraw/zinc/48/05/71/643480571.db2.gz KEDGNSLDUQYQOA-CQSZACIVSA-N 0 3 388.281 2.103 10 0 GEAEHN C[C@@H](O)CN1CCN(Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C ZINC000120572106 643620221 /nfs/dbraw/zinc/62/02/21/643620221.db2.gz XSNFJVHHLABHRY-ZIAGYGMSSA-N 0 3 399.329 2.497 10 0 GEAEHN C[N@H+](CCC[N-]C(=O)C(F)(F)F)C[C@@H](c1cccs1)N1CCOCC1 ZINC000154815151 644060336 /nfs/dbraw/zinc/06/03/36/644060336.db2.gz PGTCLYCKCOFLPU-ZDUSSCGKSA-N 0 3 379.448 2.122 10 0 GEAEHN C[N@@H+](CCC[N-]C(=O)C(F)(F)F)C[C@@H](c1cccs1)N1CCOCC1 ZINC000154815151 644060340 /nfs/dbraw/zinc/06/03/40/644060340.db2.gz PGTCLYCKCOFLPU-ZDUSSCGKSA-N 0 3 379.448 2.122 10 0 GEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000192938500 645232900 /nfs/dbraw/zinc/23/29/00/645232900.db2.gz CSPQQJFGVPUDPF-HNNXBMFYSA-N 0 3 380.901 2.273 10 0 GEAEHN CCN1CCC[C@@H](NC(=O)COc2ccc(I)cc2)C1 ZINC000194626080 645337877 /nfs/dbraw/zinc/33/78/77/645337877.db2.gz XJZWDVROXLTQBW-CYBMUJFWSA-N 0 3 388.249 2.271 10 0 GEAEHN C[C@H](O)CN1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000247571326 645514040 /nfs/dbraw/zinc/51/40/40/645514040.db2.gz HFSNKEZQFXFMHG-KCQAQPDRSA-N 0 3 377.312 2.120 10 0 GEAEHN NC1(C(=O)Nc2cc(F)c(I)c(F)c2)CCOCC1 ZINC000261770477 645598751 /nfs/dbraw/zinc/59/87/51/645598751.db2.gz GQTKQKZPGKERRA-UHFFFAOYSA-N 0 3 382.148 2.016 10 0 GEAEHN O=C1CSc2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)cc2N1 ZINC000015677246 210161850 /nfs/dbraw/zinc/16/18/50/210161850.db2.gz ZMAGBYDUAXZMRN-UHFFFAOYSA-N 0 3 395.550 2.370 10 0 GEAEHN CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](N1CCC(C)CC1)C2 ZINC000014749247 210127534 /nfs/dbraw/zinc/12/75/34/210127534.db2.gz NZZMNDCPYBSYIO-SFHVURJKSA-N 0 3 387.572 2.270 10 0 GEAEHN COc1ccc(CN[C@H]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)c(OC)c1 ZINC000014743837 210125645 /nfs/dbraw/zinc/12/56/45/210125645.db2.gz NXPHAAKBCOJQOU-INIZCTEOSA-N 0 3 398.507 2.320 10 0 GEAEHN CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](N(C)Cc1ccsc1)C2 ZINC000014537501 210119019 /nfs/dbraw/zinc/11/90/19/210119019.db2.gz YTWVWCRHVGHGLV-MRXNPFEDSA-N 0 3 388.537 2.426 10 0 GEAEHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccco1)C2 ZINC000014532475 210119074 /nfs/dbraw/zinc/11/90/74/210119074.db2.gz LXPLYCUCTZFBKR-MRXNPFEDSA-N 0 3 386.496 2.252 10 0 GEAEHN O=S(=O)(NCCN[C@H]1CCc2c1cccc2Br)c1cccnc1 ZINC000152008765 531527947 /nfs/dbraw/zinc/52/79/47/531527947.db2.gz DNJAHCJVDPSXEV-INIZCTEOSA-N 0 3 396.310 2.400 10 0 GEAEHN CN(C)C[C@H]1CN(Cc2nnc(-c3ccccc3Br)o2)CCO1 ZINC000155336102 531675944 /nfs/dbraw/zinc/67/59/44/531675944.db2.gz FEEMPJMCPGNWFM-LBPRGKRZSA-N 0 3 381.274 2.262 10 0 GEAEHN O=C(NCCc1ccc(Br)s1)NC[C@H](O)CN1CCCCC1 ZINC000049175394 531734454 /nfs/dbraw/zinc/73/44/54/531734454.db2.gz NATXQFRPSGMZLO-LBPRGKRZSA-N 0 3 390.347 2.199 10 0 GEAEHN O=C(CCN1CC[C@@H](N2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000173907187 532042050 /nfs/dbraw/zinc/04/20/50/532042050.db2.gz GFTMASODKXQKDS-MRXNPFEDSA-N 0 3 382.302 2.184 10 0 GEAEHN O=C(c1cc(=O)[nH]c2c(Br)cccc12)N1CCN2CCC[C@@H]2C1 ZINC000176281932 532132360 /nfs/dbraw/zinc/13/23/60/532132360.db2.gz RQARTTREFZPOTN-LLVKDONJSA-N 0 3 376.254 2.211 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000177027189 532159923 /nfs/dbraw/zinc/15/99/23/532159923.db2.gz UHAPDSNEFYXBLF-ZDUSSCGKSA-N 0 3 387.933 2.147 10 0 GEAEHN CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177746230 532181554 /nfs/dbraw/zinc/18/15/54/532181554.db2.gz NCFPEMFOZZKASM-ZDUSSCGKSA-N 0 3 396.285 2.093 10 0 GEAEHN CCN(CCOc1ccc(Br)cc1)C[C@@H](O)CN1CCCC1=O ZINC000131591665 532201200 /nfs/dbraw/zinc/20/12/00/532201200.db2.gz SQDCHBDUFFFCRU-OAHLLOKOSA-N 0 3 385.302 2.133 10 0 GEAEHN Cc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)c(Br)n1 ZINC000179513308 532233363 /nfs/dbraw/zinc/23/33/63/532233363.db2.gz AQHWKMBYKDOGCK-GFCCVEGCSA-N 0 3 385.306 2.184 10 0 GEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000150802780 532301858 /nfs/dbraw/zinc/30/18/58/532301858.db2.gz CFUYIAKOPZNUJX-HZMBPMFUSA-N 0 3 386.265 2.372 10 0 GEAEHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000183548223 532326256 /nfs/dbraw/zinc/32/62/56/532326256.db2.gz LIEZJXCHVVDCLX-WFASDCNBSA-N 0 3 385.295 2.444 10 0 GEAEHN CCOc1ccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cc1Br ZINC000188891371 532349934 /nfs/dbraw/zinc/34/99/34/532349934.db2.gz VQXDLSYESJXKRF-CYBMUJFWSA-N 0 3 396.285 2.093 10 0 GEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000190360136 532355762 /nfs/dbraw/zinc/35/57/62/532355762.db2.gz QHLXLERREAOXOG-QWHCGFSZSA-N 0 3 395.301 2.176 10 0 GEAEHN Cc1nc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)ccc1Br ZINC000193631577 532427312 /nfs/dbraw/zinc/42/73/12/532427312.db2.gz MFXWJFRMEZJHDC-CYBMUJFWSA-N 0 3 397.317 2.328 10 0 GEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000237045781 532502418 /nfs/dbraw/zinc/50/24/18/532502418.db2.gz HGMYYXRFJVXJAT-YWPYICTPSA-N 0 3 397.317 2.395 10 0 GEAEHN COc1cc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)ccc1Br ZINC000246443800 532539875 /nfs/dbraw/zinc/53/98/75/532539875.db2.gz ODHSIPGUMFVCNX-BXUZGUMPSA-N 0 3 398.301 2.241 10 0 GEAEHN C[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1N1CCOCC1 ZINC000246634810 532542105 /nfs/dbraw/zinc/54/21/05/532542105.db2.gz ZROZOSRRTWGXJT-UNEWFSDZSA-N 0 3 389.323 2.386 10 0 GEAEHN C[C@@H]1CN([C@H](CN[C@H]2CCCC[C@H]2S(C)(=O)=O)c2cccs2)CCO1 ZINC000246082370 532530107 /nfs/dbraw/zinc/53/01/07/532530107.db2.gz VHCWAUZEUFTQIM-KYHPRHEASA-N 0 3 386.583 2.455 10 0 GEAEHN C[C@H](NC[C@H](c1cccs1)N1CCO[C@H](C)C1)C(=O)NCC(F)(F)F ZINC000247252237 532546248 /nfs/dbraw/zinc/54/62/48/532546248.db2.gz YZVZXRSLSFOKPE-FRRDWIJNSA-N 0 3 379.448 2.167 10 0 GEAEHN O=C(CN[C@@H]1CCC[C@@H]1[C@H]1COCCN1)Nc1ccc(Br)cc1 ZINC000261987096 532581291 /nfs/dbraw/zinc/58/12/91/532581291.db2.gz SENDGEWXSOAVKV-ARFHVFGLSA-N 0 3 382.302 2.134 10 0 GEAEHN COc1cccc(-c2ncc(CN3CCO[C@]4(C3)CNCCOC4)s2)c1 ZINC000072144529 211075128 /nfs/dbraw/zinc/07/51/28/211075128.db2.gz VTTSTBJTRNXVSS-IBGZPJMESA-N 0 3 375.494 2.010 10 0 GEAEHN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCCN4CCCC4)C3)n2)cc1 ZINC000021528065 210383527 /nfs/dbraw/zinc/38/35/27/210383527.db2.gz SQYQMIWMKUHUDP-QGZVFWFLSA-N 0 3 399.495 2.174 10 0 GEAEHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000106098374 643220974 /nfs/dbraw/zinc/22/09/74/643220974.db2.gz LKMMFPRSYDNASL-UONOGXRCSA-N 0 3 384.318 2.165 10 0 GEAEHN CN(C)C[C@@H]1CN(Cc2nc(-c3ccc(Br)s3)no2)CCO1 ZINC000114456729 643418673 /nfs/dbraw/zinc/41/86/73/643418673.db2.gz RYMCGOSFQBYFIW-SNVBAGLBSA-N 0 3 387.303 2.323 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)NCCc2ccc(F)c(Br)c2)CCO1 ZINC000117036779 643480779 /nfs/dbraw/zinc/48/07/79/643480779.db2.gz KMTKMZUIFZUAOL-CYBMUJFWSA-N 0 3 388.281 2.103 10 0 GEAEHN CC[C@@H](O)CN1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000118857543 643524869 /nfs/dbraw/zinc/52/48/69/643524869.db2.gz NOIQXNYYUHNPOI-MRXNPFEDSA-N 0 3 384.318 2.166 10 0 GEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000153974797 644012926 /nfs/dbraw/zinc/01/29/26/644012926.db2.gz LEEDQKWURCBEAW-IUODEOHRSA-N 0 3 382.302 2.107 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000182809604 644972368 /nfs/dbraw/zinc/97/23/68/644972368.db2.gz GQOOVDBONVSRHP-CYBMUJFWSA-N 0 3 383.290 2.034 10 0 GEAEHN C[C@@H](NC[C@H](O)COc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000192930927 645231506 /nfs/dbraw/zinc/23/15/06/645231506.db2.gz HVRPVIUXYZEBJL-DOMZBBRYSA-N 0 3 384.885 2.078 10 0 GEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C1 ZINC000192934430 645232588 /nfs/dbraw/zinc/23/25/88/645232588.db2.gz LSYYFMDMZBYRMB-CVEARBPZSA-N 0 3 387.571 2.104 10 0 GEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(S(=O)(=O)c2ccc(N)cc2)C1 ZINC000192935003 645232870 /nfs/dbraw/zinc/23/28/70/645232870.db2.gz VMGQKIOYCSCDGD-AWEZNQCLSA-N 0 3 380.539 2.176 10 0 GEAEHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000247604042 645514885 /nfs/dbraw/zinc/51/48/85/645514885.db2.gz LKMMFPRSYDNASL-KBPBESRZSA-N 0 3 384.318 2.165 10 0 GEAEHN OCCN1CCC[C@H](NCc2cc(Cl)ccc2I)C1 ZINC000405225884 647909262 /nfs/dbraw/zinc/90/92/62/647909262.db2.gz SPUSKDVRNRZLCT-ZDUSSCGKSA-N 0 3 394.684 2.491 10 0 GEAEHN OCCN1CCC[C@@H](NCc2cc(Cl)ccc2I)C1 ZINC000405225881 647909629 /nfs/dbraw/zinc/90/96/29/647909629.db2.gz SPUSKDVRNRZLCT-CYBMUJFWSA-N 0 3 394.684 2.491 10 0 GEAEHN Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1ccc3c(c1)OCO3)C2 ZINC000014537304 210118535 /nfs/dbraw/zinc/11/85/35/210118535.db2.gz MKVOSCCYQYCSFS-INIZCTEOSA-N 0 3 396.491 2.422 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CCO1 ZINC000152215156 531539245 /nfs/dbraw/zinc/53/92/45/531539245.db2.gz ZKGPDWWGXGCKMH-AWEZNQCLSA-N 0 3 380.286 2.262 10 0 GEAEHN CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C[NH3+] ZINC000091323953 531923036 /nfs/dbraw/zinc/92/30/36/531923036.db2.gz DOUMILQVZOTNQN-PWSUYJOCSA-N 0 3 377.304 2.254 10 0 GEAEHN CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C[NH3+] ZINC000091323952 531923161 /nfs/dbraw/zinc/92/31/61/531923161.db2.gz DOUMILQVZOTNQN-ZYHUDNBSSA-N 0 3 377.304 2.254 10 0 GEAEHN Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000171905649 531924046 /nfs/dbraw/zinc/92/40/46/531924046.db2.gz TYMVFTWHFZTVLZ-AWEZNQCLSA-N 0 3 395.301 2.186 10 0 GEAEHN Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171905648 531924744 /nfs/dbraw/zinc/92/47/44/531924744.db2.gz TYMVFTWHFZTVLZ-CQSZACIVSA-N 0 3 395.301 2.186 10 0 GEAEHN COc1cc(CNC(=O)N2CCN3CCC[C@H]3C2)cc(Br)c1OC ZINC000171905647 531925314 /nfs/dbraw/zinc/92/53/14/531925314.db2.gz XFKYTTBPKNEMDH-ZDUSSCGKSA-N 0 3 398.301 2.456 10 0 GEAEHN Cc1ccc(O[C@@H](C)C(=O)N2CCO[C@H](CN(C)C)C2)c(Br)c1 ZINC000116783613 531960657 /nfs/dbraw/zinc/96/06/57/531960657.db2.gz OOPAUUSRNWMNMX-UONOGXRCSA-N 0 3 385.302 2.314 10 0 GEAEHN C[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@H]1N1CCOCC1 ZINC000173889293 532039909 /nfs/dbraw/zinc/03/99/09/532039909.db2.gz QMZOHCIYXZYPMG-IAQYHMDHSA-N 0 3 393.285 2.118 10 0 GEAEHN C[C@@H](O)CN1CCN(CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000124588595 532125186 /nfs/dbraw/zinc/12/51/86/532125186.db2.gz ZQUUAWZPWFBMOJ-ZIAGYGMSSA-N 0 3 384.318 2.165 10 0 GEAEHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1cccc(I)c1 ZINC000178635647 532207950 /nfs/dbraw/zinc/20/79/50/532207950.db2.gz FMMAQSNZIDKAAD-CQSZACIVSA-N 0 3 385.249 2.010 10 0 GEAEHN CS(=O)(=O)c1ccc(-c2nc(CN3CCN4CCC[C@@H]4C3)cs2)cc1 ZINC000178629461 532208403 /nfs/dbraw/zinc/20/84/03/532208403.db2.gz AQJPKWAVCHBAFA-MRXNPFEDSA-N 0 3 377.535 2.494 10 0 GEAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000150772744 532301377 /nfs/dbraw/zinc/30/13/77/532301377.db2.gz DPKUVKKWHNUVNA-HZMBPMFUSA-N 0 3 386.265 2.372 10 0 GEAEHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000183548194 532326222 /nfs/dbraw/zinc/32/62/22/532326222.db2.gz LIEZJXCHVVDCLX-SWLSCSKDSA-N 0 3 385.295 2.444 10 0 GEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183607246 532326523 /nfs/dbraw/zinc/32/65/23/532326523.db2.gz YFFPPUJORGMRQQ-GHMZBOCLSA-N 0 3 394.269 2.089 10 0 GEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000190073648 532354650 /nfs/dbraw/zinc/35/46/50/532354650.db2.gz WODSLLKMJPRMPL-CMPLNLGQSA-N 0 3 384.249 2.222 10 0 GEAEHN Cc1csc(C(=O)N2CCO[C@@H](CN(C)C)C2)c1I ZINC000191679248 532362223 /nfs/dbraw/zinc/36/22/23/532362223.db2.gz ABTNZALZIXLBRJ-JTQLQIEISA-N 0 3 394.278 2.064 10 0 GEAEHN COc1cc2c(cc1OC)[C@]13CCN4C/C(=C\CO)[C@H](C[C@H]41)C1=CCC(=O)N2[C@@H]13 ZINC000033902707 291116017 /nfs/dbraw/zinc/11/60/17/291116017.db2.gz XTGYWZXUYFAABL-LFKRQCONSA-N 0 3 394.471 2.013 10 0 biogenic,in-vitro GEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000236945553 532500520 /nfs/dbraw/zinc/50/05/20/532500520.db2.gz GGRFSGWDZYIGDE-IAQYHMDHSA-N 0 3 397.317 2.395 10 0 GEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000246539273 532540886 /nfs/dbraw/zinc/54/08/86/532540886.db2.gz VIMLMXQZHBAUAC-SWLSCSKDSA-N 0 3 394.313 2.183 10 0 GEAEHN COc1ccc([C@@H](CNc2cnn(C)c(=O)c2Br)N(C)C)cc1 ZINC000301223783 532745354 /nfs/dbraw/zinc/74/53/54/532745354.db2.gz DNTZQFDPOOVMAA-CQSZACIVSA-N 0 3 381.274 2.266 10 0 GEAEHN CCCn1c2ccccc2nc1CNC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000328618571 209148154 /nfs/dbraw/zinc/14/81/54/209148154.db2.gz DWPXWXJVDOTUHI-YCRPNKLZSA-N 0 3 380.496 2.489 10 0 GEAEHN C[NH+]1CCC(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(Cl)s3)C2)CC1 ZINC000072162732 211080369 /nfs/dbraw/zinc/08/03/69/211080369.db2.gz WSNKDBMXJRXDKZ-LBPRGKRZSA-N 0 3 377.963 2.238 10 0 GEAEHN O=C(c1cn(C[C@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)nn1)N1CCCC1 ZINC000012127733 221156125 /nfs/dbraw/zinc/15/61/25/221156125.db2.gz FKDIWCAJZIGFOK-KRWDZBQOSA-N 0 3 397.479 2.155 10 0 GEAEHN CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2)cnc1N1CCNCC1 ZINC000065025413 535473179 /nfs/dbraw/zinc/47/31/79/535473179.db2.gz FXZUEWJWVAQLEC-UHFFFAOYSA-N 0 3 381.480 2.226 10 0 GEAEHN O=C(Cn1c2cccnc2n(C2CCCCC2)c1=O)NCCN1CCCCC1 ZINC000065202697 570728626 /nfs/dbraw/zinc/72/86/26/570728626.db2.gz MULGSXSZUIOQAQ-UHFFFAOYSA-N 0 3 385.512 2.305 10 0 GEAEHN COCCNC(=O)CCC1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000012458744 570736511 /nfs/dbraw/zinc/73/65/11/570736511.db2.gz NWRKXXFAGANJCL-UHFFFAOYSA-N 0 3 380.485 2.164 10 0 GEAEHN FC(F)(F)c1cn2c(n1)CC[C@@H](CNCc1cn(Cc3cccnc3)nn1)C2 ZINC000548021015 570904710 /nfs/dbraw/zinc/90/47/10/570904710.db2.gz TTZZMDBMKHKABT-AWEZNQCLSA-N 0 3 391.401 2.289 10 0 GEAEHN CN(Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@H](O)CO ZINC000012074416 570958081 /nfs/dbraw/zinc/95/80/81/570958081.db2.gz VLIRVIHDFZPNQG-IBGZPJMESA-N 0 3 395.459 2.112 10 0 GEAEHN COCCN1CCN(CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000106107576 643223225 /nfs/dbraw/zinc/22/32/25/643223225.db2.gz QONLBGXWFUHSAP-AWEZNQCLSA-N 0 3 384.318 2.430 10 0 GEAEHN CN(C)C[C@@H]1CN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CCO1 ZINC000108951637 643285784 /nfs/dbraw/zinc/28/57/84/643285784.db2.gz NQNREVUAMVSAPD-CQSZACIVSA-N 0 3 383.279 2.306 10 0 GEAEHN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116797431 643469939 /nfs/dbraw/zinc/46/99/39/643469939.db2.gz LXZAODIPNRGYLI-DGCLKSJQSA-N 0 3 389.265 2.145 10 0 GEAEHN C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117039323 643480589 /nfs/dbraw/zinc/48/05/89/643480589.db2.gz DNRZFMIEIJIGSD-XJKSGUPXSA-N 0 3 384.318 2.352 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)NCCc2ccc(F)c(Br)c2)CCO1 ZINC000117036782 643480711 /nfs/dbraw/zinc/48/07/11/643480711.db2.gz KMTKMZUIFZUAOL-ZDUSSCGKSA-N 0 3 388.281 2.103 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2cccc(I)c2)CCO1 ZINC000118791643 643522362 /nfs/dbraw/zinc/52/23/62/643522362.db2.gz OOVMGVGQUIDPJW-CYBMUJFWSA-N 0 3 389.237 2.086 10 0 GEAEHN C[C@@H](O)CN1CCN(Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]1C ZINC000120572271 643620106 /nfs/dbraw/zinc/62/01/06/643620106.db2.gz XSNFJVHHLABHRY-UONOGXRCSA-N 0 3 399.329 2.497 10 0 GEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000153974919 644012847 /nfs/dbraw/zinc/01/28/47/644012847.db2.gz LEEDQKWURCBEAW-SWLSCSKDSA-N 0 3 382.302 2.107 10 0 GEAEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000173831023 644362196 /nfs/dbraw/zinc/36/21/96/644362196.db2.gz HRNCOQWGVWISTP-UONOGXRCSA-N 0 3 386.901 2.374 10 0 GEAEHN Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@@H](CN(C)C)C2)c(Br)c1 ZINC000246407053 645483721 /nfs/dbraw/zinc/48/37/21/645483721.db2.gz QMIUAECLUVRAKY-KGLIPLIRSA-N 0 3 384.318 2.347 10 0 GEAEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000246529846 645484471 /nfs/dbraw/zinc/48/44/71/645484471.db2.gz UVSVGWTXRXAIIY-OLZOCXBDSA-N 0 3 386.901 2.374 10 0 GEAEHN C[NH2+][C@@H](C)C[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000261725495 645596694 /nfs/dbraw/zinc/59/66/94/645596694.db2.gz LCXCGGPLCCMWBG-VIFPVBQESA-N 0 3 390.328 2.459 10 0 GEAEHN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2ccc(Br)o2)C1 ZINC000702764103 653319867 /nfs/dbraw/zinc/31/98/67/653319867.db2.gz PCZHFGLAQYKLBL-PWSUYJOCSA-N 0 3 375.263 2.360 10 0 GEAEHN Cc1ccc(C)c(CN2CCC[C@@H](n3cc(C(=O)N4CCOCC4)nn3)C2)c1 ZINC000014997148 210141524 /nfs/dbraw/zinc/14/15/24/210141524.db2.gz XBJQKDXDGCTCHQ-LJQANCHMSA-N 0 3 383.496 2.204 10 0 GEAEHN COc1ccc(C(=O)NC[C@@H]2COCCO2)cc1OC1CCN(C(C)C)CC1 ZINC000014979120 210139250 /nfs/dbraw/zinc/13/92/50/210139250.db2.gz FTVFGFDZNRSPKK-GOSISDBHSA-N 0 3 392.496 2.092 10 0 GEAEHN CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H](NCc1ccc(C)o1)C2 ZINC000014752047 210126563 /nfs/dbraw/zinc/12/65/63/210126563.db2.gz XPPZJVIRESZLPK-QGZVFWFLSA-N 0 3 399.539 2.229 10 0 GEAEHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN([C@@H](C)COC)CC2 ZINC000014534107 210118987 /nfs/dbraw/zinc/11/89/87/210118987.db2.gz FHNJDZXCQMXWEA-INIZCTEOSA-N 0 3 389.496 2.349 10 0 GEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000152563663 531558580 /nfs/dbraw/zinc/55/85/80/531558580.db2.gz PRRUKGXYUKQACR-AWEZNQCLSA-N 0 3 389.949 2.101 10 0 GEAEHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CCO1 ZINC000153973193 531615330 /nfs/dbraw/zinc/61/53/30/531615330.db2.gz LLDIWJBUFXAIIA-NSHDSACASA-N 0 3 386.823 2.310 10 0 GEAEHN O=C(NC1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1)C1CC1 ZINC000030538925 531639696 /nfs/dbraw/zinc/63/96/96/531639696.db2.gz CMNZPGHTRXOBCJ-MRXNPFEDSA-N 0 3 397.313 2.179 10 0 GEAEHN COc1cc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc(Br)c1OC ZINC000171905646 531925327 /nfs/dbraw/zinc/92/53/27/531925327.db2.gz XFKYTTBPKNEMDH-CYBMUJFWSA-N 0 3 398.301 2.456 10 0 GEAEHN CN(C)C[C@H]1CN(Cc2nc(Cc3cccc(Br)c3)no2)CCO1 ZINC000109133094 531942278 /nfs/dbraw/zinc/94/22/78/531942278.db2.gz PXFFSDSTIOTOIZ-HNNXBMFYSA-N 0 3 395.301 2.185 10 0 GEAEHN Cc1ccc(O[C@H](C)C(=O)N2CCO[C@H](CN(C)C)C2)c(Br)c1 ZINC000116783616 531960285 /nfs/dbraw/zinc/96/02/85/531960285.db2.gz OOPAUUSRNWMNMX-ZIAGYGMSSA-N 0 3 385.302 2.314 10 0 GEAEHN CC[C@H](O)CN1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000173457802 532013802 /nfs/dbraw/zinc/01/38/02/532013802.db2.gz LHNXRBIXGBERRI-INIZCTEOSA-N 0 3 384.318 2.166 10 0 GEAEHN O=C(c1cc(F)c(F)cc1I)N1CCN2CCC[C@H]2C1 ZINC000177549274 532175551 /nfs/dbraw/zinc/17/55/51/532175551.db2.gz IQZKOWIUNJQLGJ-VIFPVBQESA-N 0 3 392.187 2.490 10 0 GEAEHN O=C(c1cc(I)c(F)cc1F)N1CCN2CCC[C@@H]2C1 ZINC000178549800 532204715 /nfs/dbraw/zinc/20/47/15/532204715.db2.gz XQMLZXVYEACANK-SECBINFHSA-N 0 3 392.187 2.490 10 0 GEAEHN COc1cc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)ccc1Br ZINC000150771991 532301189 /nfs/dbraw/zinc/30/11/89/532301189.db2.gz ODHSIPGUMFVCNX-FZMZJTMJSA-N 0 3 398.301 2.241 10 0 GEAEHN COc1cc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)ccc1Br ZINC000150771972 532301390 /nfs/dbraw/zinc/30/13/90/532301390.db2.gz ODHSIPGUMFVCNX-RISCZKNCSA-N 0 3 398.301 2.241 10 0 GEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000194162889 532441660 /nfs/dbraw/zinc/44/16/60/532441660.db2.gz MQDZJJFDXHZQHZ-QWHCGFSZSA-N 0 3 395.301 2.176 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000246289013 532537040 /nfs/dbraw/zinc/53/70/40/532537040.db2.gz CFUYIAKOPZNUJX-QMTHXVAHSA-N 0 3 386.265 2.372 10 0 GEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000246662843 532543127 /nfs/dbraw/zinc/54/31/27/532543127.db2.gz KWXDGDRDPCMAIV-XHDPSFHLSA-N 0 3 396.289 2.140 10 0 GEAEHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3cnccn3)C2)cc1OC ZINC000011838920 221130508 /nfs/dbraw/zinc/13/05/08/221130508.db2.gz BALVZZXQQLFKGJ-KRWDZBQOSA-N 0 3 384.480 2.273 10 0 GEAEHN CN(C)[C@@H]1CCN(C(=O)c2csc(NC(=O)c3ccc(F)c(F)c3)n2)C1 ZINC000040355680 570566881 /nfs/dbraw/zinc/56/68/81/570566881.db2.gz DDEWSHPHACMWRL-LLVKDONJSA-N 0 3 380.420 2.450 10 0 GEAEHN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000063170873 642853537 /nfs/dbraw/zinc/85/35/37/642853537.db2.gz ODCQOICWPQCNMW-SSDOTTSWSA-N 0 3 386.109 2.227 10 0 GEAEHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1cc(Br)cnc1Cl ZINC000071189455 643059697 /nfs/dbraw/zinc/05/96/97/643059697.db2.gz SGNFBXXQGTVZBF-VIFPVBQESA-N 0 3 382.711 2.070 10 0 GEAEHN CN(C)[C@H]1CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000111606429 643342362 /nfs/dbraw/zinc/34/23/62/643342362.db2.gz KSAKXZUSEKMOGO-RCDICMHDSA-N 0 3 387.343 2.499 10 0 GEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)nc1 ZINC000114414777 643417736 /nfs/dbraw/zinc/41/77/36/643417736.db2.gz SSSALBIRDCSPOQ-UHFFFAOYSA-N 0 3 393.285 2.461 10 0 GEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cc(Br)c[nH]3)CC2)nc1 ZINC000114415559 643417932 /nfs/dbraw/zinc/41/79/32/643417932.db2.gz PAQGQEPCSVMNJH-UHFFFAOYSA-N 0 3 392.301 2.196 10 0 GEAEHN Cn1cc([C@@H]2CCN(C[C@H](O)COc3ccc(Br)cc3)C2)cn1 ZINC000116318104 643456890 /nfs/dbraw/zinc/45/68/90/643456890.db2.gz IGZVLNIQVSUTNQ-CJNGLKHVSA-N 0 3 380.286 2.412 10 0 GEAEHN COCc1c(Br)cccc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000118815461 643523032 /nfs/dbraw/zinc/52/30/32/643523032.db2.gz VQWIISDRYGBSSW-LBPRGKRZSA-N 0 3 386.290 2.390 10 0 GEAEHN CN(C)C[C@@H]1CN(Cn2nc(-c3ccccc3Cl)n(C)c2=S)CCO1 ZINC000152988660 643976749 /nfs/dbraw/zinc/97/67/49/643976749.db2.gz AGNXNHNZVRZQNL-CYBMUJFWSA-N 0 3 381.933 2.491 10 0 GEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000156847683 644121276 /nfs/dbraw/zinc/12/12/76/644121276.db2.gz UVSVGWTXRXAIIY-CHWSQXEVSA-N 0 3 386.901 2.374 10 0 GEAEHN CSc1nsc(NC(=O)N(C)C2CCN(CCn3cccn3)CC2)n1 ZINC000156940001 644125317 /nfs/dbraw/zinc/12/53/17/644125317.db2.gz UJHIHDZXNQLAKD-UHFFFAOYSA-N 0 3 381.531 2.085 10 0 GEAEHN COCCO[C@H]1CCCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000179349432 644455800 /nfs/dbraw/zinc/45/58/00/644455800.db2.gz BWQRQDSNBTUPML-RDJZCZTQSA-N 0 3 388.302 2.316 10 0 GEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C1 ZINC000192934416 645232810 /nfs/dbraw/zinc/23/28/10/645232810.db2.gz LSYYFMDMZBYRMB-HOTGVXAUSA-N 0 3 387.571 2.104 10 0 GEAEHN COCCO[C@H]1CCCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000245808860 645469712 /nfs/dbraw/zinc/46/97/12/645469712.db2.gz BWQRQDSNBTUPML-WBVHZDCISA-N 0 3 388.302 2.316 10 0 GEAEHN C[C@H](O)CN1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000247571315 645514322 /nfs/dbraw/zinc/51/43/22/645514322.db2.gz HFSNKEZQFXFMHG-IPYPFGDCSA-N 0 3 377.312 2.120 10 0 GEAEHN CC[C@@H]1CN(C(=O)[C@](C)(N)c2ccc(Br)cc2)CCN1CCOC ZINC000261877312 645607828 /nfs/dbraw/zinc/60/78/28/645607828.db2.gz YNVABMWIWBIAQY-SJLPKXTDSA-N 0 3 398.345 2.192 10 0 GEAEHN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNCc2ccc(Br)o2)C1 ZINC000702764099 653319821 /nfs/dbraw/zinc/31/98/21/653319821.db2.gz PCZHFGLAQYKLBL-JQWIXIFHSA-N 0 3 375.263 2.360 10 0 GEAEHN CCOC(=O)c1nn(CCN(C)C)c2c1CN(C1Cc3ccccc3C1)CC2 ZINC000019110893 210226130 /nfs/dbraw/zinc/22/61/30/210226130.db2.gz LYFITPYUAMZXTK-UHFFFAOYSA-N 0 3 382.508 2.147 10 0 GEAEHN Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](N(CCO)Cc1ccccc1)C2 ZINC000014542243 210121078 /nfs/dbraw/zinc/12/10/78/210121078.db2.gz BDNQVFACNLKVEG-LJQANCHMSA-N 0 3 396.535 2.398 10 0 GEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CCO1 ZINC000153972223 531615236 /nfs/dbraw/zinc/61/52/36/531615236.db2.gz HPVITOCGBUHVKF-SNVBAGLBSA-N 0 3 397.722 2.054 10 0 GEAEHN CN(C)C[C@@H]1CN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCO1 ZINC000155262867 531670859 /nfs/dbraw/zinc/67/08/59/531670859.db2.gz JYVUXXFMVKFFAM-GFCCVEGCSA-N 0 3 377.819 2.142 10 0 GEAEHN CCCNC(=O)C1CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000042761033 531672208 /nfs/dbraw/zinc/67/22/08/531672208.db2.gz WBTOHDVRJGSDHA-INIZCTEOSA-N 0 3 399.329 2.427 10 0 GEAEHN CN(C)C[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2F)CCO1 ZINC000155304072 531673673 /nfs/dbraw/zinc/67/36/73/531673673.db2.gz KJCHISCAQBKVAX-CYBMUJFWSA-N 0 3 388.281 2.179 10 0 GEAEHN Cc1ccc(I)c(C(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000116783567 531960133 /nfs/dbraw/zinc/96/01/33/531960133.db2.gz RLOAMRMEPRCIMA-GFCCVEGCSA-N 0 3 388.249 2.002 10 0 GEAEHN COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000124028881 532112895 /nfs/dbraw/zinc/11/28/95/532112895.db2.gz JDOBEBPCAGQQJM-PWSUYJOCSA-N 0 3 377.304 2.028 10 0 GEAEHN O[C@H](COc1cccc(Br)c1)CN1CCC[C@H](Cn2ccnn2)C1 ZINC000178871564 532215727 /nfs/dbraw/zinc/21/57/27/532215727.db2.gz SPAAQRVRETXCBA-HOCLYGCPSA-N 0 3 395.301 2.193 10 0 GEAEHN O[C@@H](COc1cccc(Br)c1)CN1CCC(Cn2cncn2)CC1 ZINC000186225271 532340209 /nfs/dbraw/zinc/34/02/09/532340209.db2.gz VPZIMURMUJVUDT-MRXNPFEDSA-N 0 3 395.301 2.193 10 0 GEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NC[C@@H]2CSCCS2)C1 ZINC000190724314 532357572 /nfs/dbraw/zinc/35/75/72/532357572.db2.gz PQCLHQPFLOQELA-IAGOWNOFSA-N 0 3 380.583 2.394 10 0 GEAEHN Cc1ccc(Br)cc1CNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000187590846 532345005 /nfs/dbraw/zinc/34/50/05/532345005.db2.gz ISMOEXSLIGSZJN-INIZCTEOSA-N 0 3 384.318 2.404 10 0 GEAEHN C[C@@H]1CN([C@H](CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c2cccs2)CCO1 ZINC000246082363 532530575 /nfs/dbraw/zinc/53/05/75/532530575.db2.gz VHCWAUZEUFTQIM-KONPQCLYSA-N 0 3 386.583 2.455 10 0 GEAEHN Cc1ccc(Br)c(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000249231590 532563444 /nfs/dbraw/zinc/56/34/44/532563444.db2.gz VQHSIPXMEKFNIJ-CHWSQXEVSA-N 0 3 380.286 2.391 10 0 GEAEHN N[C@H](CNS(=O)(=O)c1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000034845044 209246816 /nfs/dbraw/zinc/24/68/16/209246816.db2.gz YMFJEQMANGWMOM-LJQANCHMSA-N 0 3 396.472 2.312 10 0 GEAEHN CN(CCCCN1CCN(c2ncccn2)CC1)C1=Nc2ccccc2OC1 ZINC000100831426 209243882 /nfs/dbraw/zinc/24/38/82/209243882.db2.gz DPQJSJNBLNVACO-UHFFFAOYSA-N 0 3 380.496 2.433 10 0 GEAEHN COc1ccc([C@H](NC2CCN(S(C)(=O)=O)CC2)c2ccncc2)cc1 ZINC000067514702 211011666 /nfs/dbraw/zinc/01/16/66/211011666.db2.gz KHKHNZHJGNTPRI-IBGZPJMESA-N 0 3 375.494 2.193 10 0 GEAEHN Cc1cccc(CN2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)n1 ZINC000020999811 210375005 /nfs/dbraw/zinc/37/50/05/210375005.db2.gz QKTUROWXVVCBBF-UHFFFAOYSA-N 0 3 379.464 2.214 10 0 GEAEHN CN(C)c1cnnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000224314456 136206788 /nfs/dbraw/zinc/20/67/88/136206788.db2.gz ZNKDFCDYKRTPRG-UHFFFAOYSA-N 0 3 397.504 2.207 10 0 GEAEHN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H]1CNC[C@H](C(=O)OC(C)(C)C)C1 ZINC000536960625 570471045 /nfs/dbraw/zinc/47/10/45/570471045.db2.gz SBDKOUYJEMEIHL-XHSDSOJGSA-N 0 3 383.533 2.247 10 0 GEAEHN COCCN1CCN(CCC(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000106107604 643223508 /nfs/dbraw/zinc/22/35/08/643223508.db2.gz GNWOAMLDCBZVHO-AWEZNQCLSA-N 0 3 384.318 2.430 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)CCO1 ZINC000116787697 643468811 /nfs/dbraw/zinc/46/88/11/643468811.db2.gz PMRSULMWMMWLTC-NSHDSACASA-N 0 3 384.249 2.472 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)COc2ccc(Br)cc2Cl)CCO1 ZINC000116784699 643468898 /nfs/dbraw/zinc/46/88/98/643468898.db2.gz YZOCOAFSNRGYEZ-LBPRGKRZSA-N 0 3 391.693 2.270 10 0 GEAEHN COc1ccc(CCC(=O)N2CCO[C@@H](CN(C)C)C2)cc1Br ZINC000116792283 643469776 /nfs/dbraw/zinc/46/97/76/643469776.db2.gz ZKVRJRYPROYRBE-AWEZNQCLSA-N 0 3 385.302 2.179 10 0 GEAEHN C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116797433 643469798 /nfs/dbraw/zinc/46/97/98/643469798.db2.gz LXZAODIPNRGYLI-AAEUAGOBSA-N 0 3 389.265 2.145 10 0 GEAEHN C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117039327 643480750 /nfs/dbraw/zinc/48/07/50/643480750.db2.gz DNRZFMIEIJIGSD-BBRMVZONSA-N 0 3 384.318 2.352 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)NCCc2ccc(Br)s2)CCO1 ZINC000117028964 643480775 /nfs/dbraw/zinc/48/07/75/643480775.db2.gz XITXWJRYHDSJSK-NSHDSACASA-N 0 3 376.320 2.025 10 0 GEAEHN CN(C)C[C@@H]1CN(Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)CCO1 ZINC000152970699 643976343 /nfs/dbraw/zinc/97/63/43/643976343.db2.gz WVEFHTTXKNKRJT-OAHLLOKOSA-N 0 3 381.933 2.491 10 0 GEAEHN Cc1nn(CN2CCO[C@@H](CN(C)C)C2)c(=S)n1CCc1cccs1 ZINC000152994715 643976772 /nfs/dbraw/zinc/97/67/72/643976772.db2.gz OJIWGZLYLLRCOU-HNNXBMFYSA-N 0 3 381.571 2.247 10 0 GEAEHN COc1cc(Br)c(CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1OC ZINC000170937478 644297253 /nfs/dbraw/zinc/29/72/53/644297253.db2.gz AENXKAYPGQMWIP-CHWSQXEVSA-N 0 3 387.318 2.353 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000177158166 644409159 /nfs/dbraw/zinc/40/91/59/644409159.db2.gz DWXVQRRMZXXYFW-CYBMUJFWSA-N 0 3 380.286 2.352 10 0 GEAEHN C[C@H](NC[C@@H](O)COc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000192930878 645231525 /nfs/dbraw/zinc/23/15/25/645231525.db2.gz OKTQLMNDUFPSKU-GXTWGEPZSA-N 0 3 384.885 2.078 10 0 GEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(S(=O)(=O)c2ccc(N)cc2)C1 ZINC000192935016 645233024 /nfs/dbraw/zinc/23/30/24/645233024.db2.gz VMGQKIOYCSCDGD-CQSZACIVSA-N 0 3 380.539 2.176 10 0 GEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3ccoc3Br)CC2)nc1 ZINC000193584308 645286576 /nfs/dbraw/zinc/28/65/76/645286576.db2.gz KJIZSQXXYCUGLW-UHFFFAOYSA-N 0 3 393.285 2.461 10 0 GEAEHN O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246805336 645495311 /nfs/dbraw/zinc/49/53/11/645495311.db2.gz BHOOMVROUTYYLI-CABCVRRESA-N 0 3 375.296 2.140 10 0 GEAEHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000247879032 645521436 /nfs/dbraw/zinc/52/14/36/645521436.db2.gz ZBELTGZRWMKLLQ-KBPBESRZSA-N 0 3 384.318 2.165 10 0 GEAEHN CN(Cc1nc(Br)c[nH]1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000894371975 654470487 /nfs/dbraw/zinc/47/04/87/654470487.db2.gz FQSLKPBGXAOVBA-BLLLJJGKSA-N 0 3 381.322 2.421 10 0 GEAEHN CN1c2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc2C(C)(C)C1=O ZINC000015822431 210171665 /nfs/dbraw/zinc/17/16/65/210171665.db2.gz QALHJMUEESWWPK-UHFFFAOYSA-N 0 3 393.553 2.485 10 0 GEAEHN COCC(=O)N[C@H](c1nnc2n1CCN(Cc1sccc1C)CC2)C(C)C ZINC000014880042 210129942 /nfs/dbraw/zinc/12/99/42/210129942.db2.gz DBWMWKVMCILGDY-SFHVURJKSA-N 0 3 391.541 2.166 10 0 GEAEHN CC(C)C(=O)NCCc1nnc2n1CCN(Cc1cccc3ncccc13)CC2 ZINC000014882985 210128863 /nfs/dbraw/zinc/12/88/63/210128863.db2.gz UCFYDBLNANNEOA-UHFFFAOYSA-N 0 3 392.507 2.199 10 0 GEAEHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccccc1F)C2 ZINC000014740972 210125399 /nfs/dbraw/zinc/12/53/99/210125399.db2.gz INOJRYHWTZJUNS-HNNXBMFYSA-N 0 3 388.512 2.395 10 0 GEAEHN CN(C)c1ccc(CC(C)(C)[NH2+]C[C@H](O)c2ccc([O-])c3c2OCC(=O)N3)cc1 ZINC000013919258 210095682 /nfs/dbraw/zinc/09/56/82/210095682.db2.gz FNMOMTFGHRIZRH-SFHVURJKSA-N 0 3 399.491 2.433 10 0 GEAEHN CN(C)C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1 ZINC000007817164 531543770 /nfs/dbraw/zinc/54/37/70/531543770.db2.gz HVWJETBJBOKBJO-CYBMUJFWSA-N 0 3 394.269 2.191 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)Cc2c[nH]c3cccc(Br)c23)CCO1 ZINC000155122351 531658592 /nfs/dbraw/zinc/65/85/92/531658592.db2.gz XHNPRQCZYNMWTE-CYBMUJFWSA-N 0 3 380.286 2.262 10 0 GEAEHN COc1cc(Br)c(CNC(=O)N2CCN3CCC[C@H]3C2)cc1OC ZINC000171906790 531924245 /nfs/dbraw/zinc/92/42/45/531924245.db2.gz LXCMROREPZRYJE-ZDUSSCGKSA-N 0 3 398.301 2.456 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)COc2ccc(Br)cc2Cl)CCO1 ZINC000116784696 531960330 /nfs/dbraw/zinc/96/03/30/531960330.db2.gz YZOCOAFSNRGYEZ-GFCCVEGCSA-N 0 3 391.693 2.270 10 0 GEAEHN Cc1ccc([C@H](CN[C@@H](C)C(=O)NCC(F)(F)F)N2CCOCC2)s1 ZINC000173645935 532024360 /nfs/dbraw/zinc/02/43/60/532024360.db2.gz XRWZFAHEBWFLRC-STQMWFEESA-N 0 3 379.448 2.086 10 0 GEAEHN O[C@@H](COc1c(Cl)cccc1Cl)CN1CC[C@H](N2CCOCC2)C1 ZINC000173945664 532044025 /nfs/dbraw/zinc/04/40/25/532044025.db2.gz JADAIJOBGHJNNX-UONOGXRCSA-N 0 3 375.296 2.140 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000122128833 532058828 /nfs/dbraw/zinc/05/88/28/532058828.db2.gz KWXDGDRDPCMAIV-ABAIWWIYSA-N 0 3 396.289 2.140 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000176904625 532154502 /nfs/dbraw/zinc/15/45/02/532154502.db2.gz IFNUHEWQLSSWBK-HNNXBMFYSA-N 0 3 394.313 2.281 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000177020673 532159197 /nfs/dbraw/zinc/15/91/97/532159197.db2.gz JHSQGUPBTBZJFV-CQSZACIVSA-N 0 3 387.933 2.147 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)Cc2cc(Cl)ccc2Br)CCO1 ZINC000134033992 532249058 /nfs/dbraw/zinc/24/90/58/532249058.db2.gz ZTBWMBRYMAHPNV-CYBMUJFWSA-N 0 3 375.694 2.434 10 0 GEAEHN Cc1ccc(Br)c(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000190081993 532354873 /nfs/dbraw/zinc/35/48/73/532354873.db2.gz VQHSIPXMEKFNIJ-STQMWFEESA-N 0 3 380.286 2.391 10 0 GEAEHN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccccc3)CN21)Nc1ccccc1 ZINC000022922288 291117153 /nfs/dbraw/zinc/11/71/53/291117153.db2.gz XSQLZYMKIRGZTL-HBMCJLEFSA-N 0 3 392.503 2.136 10 0 GEAEHN O=C(CN[C@@H]1CCC[C@@H]1[C@@H]1COCCN1)Nc1ccc(Br)cc1 ZINC000261987107 532581248 /nfs/dbraw/zinc/58/12/48/532581248.db2.gz SENDGEWXSOAVKV-XHSDSOJGSA-N 0 3 382.302 2.134 10 0 GEAEHN CCCCS(=O)(=O)NC[C@@H](N)c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000034845040 209246521 /nfs/dbraw/zinc/24/65/21/209246521.db2.gz VCCLZDHRHQBAKI-QGZVFWFLSA-N 0 3 376.482 2.053 10 0 GEAEHN Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CC(C)C)ccc12 ZINC000013508415 209234549 /nfs/dbraw/zinc/23/45/49/209234549.db2.gz DSZDUACXCVQTLL-IRXDYDNUSA-N 0 3 385.464 2.404 10 0 GEAEHN CN(C)CCn1ccnc1C1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000095526117 211271421 /nfs/dbraw/zinc/27/14/21/211271421.db2.gz FGNPAGXNGXTNLP-LJQANCHMSA-N 0 3 382.508 2.402 10 0 GEAEHN CN1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)Cc2cccs2)CC3)C1 ZINC000091781008 211205147 /nfs/dbraw/zinc/20/51/47/211205147.db2.gz LQJBZYIKRCGAOX-INIZCTEOSA-N 0 3 375.538 2.226 10 0 GEAEHN O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCNCC1 ZINC000003821234 570351271 /nfs/dbraw/zinc/35/12/71/570351271.db2.gz HGEPGGJUGUMFHT-UHFFFAOYSA-N 0 3 380.423 2.089 10 0 world GEAEHN CN(CCc1ccccn1)[C@@H]1CCN(Cc2coc3ccccc3c2=O)C[C@H]1O ZINC000012308194 570639709 /nfs/dbraw/zinc/63/97/09/570639709.db2.gz WMKJTMUUXWYZQQ-NHCUHLMSSA-N 0 3 393.487 2.298 10 0 GEAEHN CC(C)c1ccccc1NC(=O)CCC(=O)NCCN1CCCC[C@H]1CO ZINC000055341040 570691804 /nfs/dbraw/zinc/69/18/04/570691804.db2.gz OBRGXLNVDJQTDO-KRWDZBQOSA-N 0 3 375.513 2.492 10 0 GEAEHN Cc1nc(-c2cccc(S(=O)(=O)N3CCC4(CCN(C)C4)CC3)c2)no1 ZINC000065428737 570767952 /nfs/dbraw/zinc/76/79/52/570767952.db2.gz LMQDZUZUHPWLGJ-UHFFFAOYSA-N 0 3 376.482 2.151 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CCO1 ZINC000116786874 643469040 /nfs/dbraw/zinc/46/90/40/643469040.db2.gz DLXMFAUPMLPRNW-ZDUSSCGKSA-N 0 3 393.285 2.242 10 0 GEAEHN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116797436 643469890 /nfs/dbraw/zinc/46/98/90/643469890.db2.gz LXZAODIPNRGYLI-YPMHNXCESA-N 0 3 389.265 2.145 10 0 GEAEHN COc1ccc(CCC(=O)N2CCO[C@H](CN(C)C)C2)cc1Br ZINC000116792282 643470025 /nfs/dbraw/zinc/47/00/25/643470025.db2.gz ZKVRJRYPROYRBE-CQSZACIVSA-N 0 3 385.302 2.179 10 0 GEAEHN O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@H](O)CN1CCCCC1 ZINC000158910278 644167021 /nfs/dbraw/zinc/16/70/21/644167021.db2.gz MKDFUZCEAMLZGQ-LBPRGKRZSA-N 0 3 381.325 2.260 10 0 GEAEHN COc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000228130422 645395017 /nfs/dbraw/zinc/39/50/17/645395017.db2.gz JDOBEBPCAGQQJM-CMPLNLGQSA-N 0 3 377.304 2.028 10 0 GEAEHN C[NH2+][C@H](C)C[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000261725492 645596677 /nfs/dbraw/zinc/59/66/77/645596677.db2.gz LCXCGGPLCCMWBG-SECBINFHSA-N 0 3 390.328 2.459 10 0 GEAEHN Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](CN(C)C)C2)c(Br)c1 ZINC000155267917 531670151 /nfs/dbraw/zinc/67/01/51/531670151.db2.gz QMIUAECLUVRAKY-ZIAGYGMSSA-N 0 3 384.318 2.347 10 0 GEAEHN O=C(NCc1sccc1Br)NC[C@@H](O)CN1CCCCC1 ZINC000060591558 531845542 /nfs/dbraw/zinc/84/55/42/531845542.db2.gz MLGOMPDLYPGUAP-LLVKDONJSA-N 0 3 376.320 2.157 10 0 GEAEHN O=C(Cc1cc2c(cc1Br)OCCO2)N1CCN2CCC[C@@H]2C1 ZINC000171880617 531922596 /nfs/dbraw/zinc/92/25/96/531922596.db2.gz QGCAMUGBQQHQQK-CYBMUJFWSA-N 0 3 381.270 2.069 10 0 GEAEHN CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C[NH3+] ZINC000091323954 531924628 /nfs/dbraw/zinc/92/46/28/531924628.db2.gz DOUMILQVZOTNQN-CMPLNLGQSA-N 0 3 377.304 2.254 10 0 GEAEHN COCCOC1CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000172019909 531930797 /nfs/dbraw/zinc/93/07/97/531930797.db2.gz OMMOZCRIZRICLP-HNNXBMFYSA-N 0 3 388.302 2.316 10 0 GEAEHN C[C@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@@H]1N1CCOCC1 ZINC000173889280 532040220 /nfs/dbraw/zinc/04/02/20/532040220.db2.gz QMZOHCIYXZYPMG-NHYWBVRUSA-N 0 3 393.285 2.118 10 0 GEAEHN CN(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000175978868 532121000 /nfs/dbraw/zinc/12/10/00/532121000.db2.gz MZMRATLMENPXBF-LBPRGKRZSA-N 0 3 387.933 2.193 10 0 GEAEHN Cc1nccn1C[C@H]1CCCN1CC(=O)Nc1ccc(Br)cn1 ZINC000178749327 532211648 /nfs/dbraw/zinc/21/16/48/532211648.db2.gz OBVNCAKAAHTSDT-CQSZACIVSA-N 0 3 378.274 2.452 10 0 GEAEHN COCCCS(=O)(=O)NCCN[C@H](C)c1cccc(Br)c1 ZINC000182580306 532315038 /nfs/dbraw/zinc/31/50/38/532315038.db2.gz BXPGMDCZFRPXOE-GFCCVEGCSA-N 0 3 379.320 2.056 10 0 GEAEHN Cc1cc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)cnc1Br ZINC000182705340 532316510 /nfs/dbraw/zinc/31/65/10/532316510.db2.gz VRFYUSDMZGSUQD-CYBMUJFWSA-N 0 3 385.306 2.184 10 0 GEAEHN Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)cnc1Br ZINC000182849236 532318839 /nfs/dbraw/zinc/31/88/39/532318839.db2.gz VKHDDBDBPXYOIE-CQSZACIVSA-N 0 3 397.317 2.328 10 0 GEAEHN Cc1ccc(Br)c(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000190082013 532354833 /nfs/dbraw/zinc/35/48/33/532354833.db2.gz VQHSIPXMEKFNIJ-QWHCGFSZSA-N 0 3 380.286 2.391 10 0 GEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)NCCOCC(F)F)C1 ZINC000190267705 532355526 /nfs/dbraw/zinc/35/55/26/532355526.db2.gz UEWDBOFAVVHYEM-CYBMUJFWSA-N 0 3 376.473 2.197 10 0 GEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000190360117 532355790 /nfs/dbraw/zinc/35/57/90/532355790.db2.gz QHLXLERREAOXOG-CHWSQXEVSA-N 0 3 395.301 2.176 10 0 GEAEHN C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCO[C@@H](CN(C)C)C1 ZINC000246241058 532535660 /nfs/dbraw/zinc/53/56/60/532535660.db2.gz DFSMIAZSXPMRJB-YOEHRIQHSA-N 0 3 398.345 2.058 10 0 GEAEHN C[C@@H]1CN([C@H](CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)c2cccs2)CCO1 ZINC000246082375 532530921 /nfs/dbraw/zinc/53/09/21/532530921.db2.gz VHCWAUZEUFTQIM-YFHUEUNASA-N 0 3 386.583 2.455 10 0 GEAEHN N[C@@H](CNS(=O)(=O)c1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000034845042 209245297 /nfs/dbraw/zinc/24/52/97/209245297.db2.gz YMFJEQMANGWMOM-IBGZPJMESA-N 0 3 396.472 2.312 10 0 GEAEHN Cc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COCc2ccco2)s1 ZINC000036031881 570517639 /nfs/dbraw/zinc/51/76/39/570517639.db2.gz AITXJZFVGXOSFD-GOSISDBHSA-N 0 3 394.537 2.361 10 0 GEAEHN CCC(=O)N1[C@@H](C(=O)NCc2ccc(C)cc2)CSC12CCN(C)CC2 ZINC000006943490 570715364 /nfs/dbraw/zinc/71/53/64/570715364.db2.gz PJBOIWCMWXJGNI-QGZVFWFLSA-N 0 3 375.538 2.387 10 0 GEAEHN C[C@@H](O)CN1CCN(Cc2cc3c(cc2Br)OCCO3)C[C@H]1C ZINC000106100670 643221764 /nfs/dbraw/zinc/22/17/64/643221764.db2.gz IMGJXVDKYFGPRY-CHWSQXEVSA-N 0 3 385.302 2.107 10 0 GEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2Cl)CCO1 ZINC000116900935 643475864 /nfs/dbraw/zinc/47/58/64/643475864.db2.gz SLUOLVCIWUMCQM-LLVKDONJSA-N 0 3 397.722 2.054 10 0 GEAEHN COCc1c(Br)cccc1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000118815459 643523045 /nfs/dbraw/zinc/52/30/45/643523045.db2.gz VQWIISDRYGBSSW-GFCCVEGCSA-N 0 3 386.290 2.390 10 0 GEAEHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000192697634 645221917 /nfs/dbraw/zinc/22/19/17/645221917.db2.gz UZWQHCGMWWVCNT-ZDUSSCGKSA-N 0 3 392.924 2.334 10 0 GEAEHN C[C@H](N[C@@H](C)c1cccs1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000193220417 645252188 /nfs/dbraw/zinc/25/21/88/645252188.db2.gz XGCPUKATCGFLTK-AVGNSLFASA-N 0 3 381.523 2.312 10 0 GEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(CC(=O)N(C)c2nccs2)C1 ZINC000195252430 645366565 /nfs/dbraw/zinc/36/65/65/645366565.db2.gz VSFCAFHGIVJWSA-CQSZACIVSA-N 0 3 379.555 2.325 10 0 GEAEHN COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000228130409 645395048 /nfs/dbraw/zinc/39/50/48/645395048.db2.gz JDOBEBPCAGQQJM-ZYHUDNBSSA-N 0 3 377.304 2.028 10 0 GEAEHN C[C@H](O)CN1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000247571332 645514104 /nfs/dbraw/zinc/51/41/04/645514104.db2.gz HFSNKEZQFXFMHG-VNHYZAJKSA-N 0 3 377.312 2.120 10 0 GEAEHN CCN1CCC[C@@H]1CNC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000015724201 210164263 /nfs/dbraw/zinc/16/42/63/210164263.db2.gz IJKSZNZWMJWHFE-GOSISDBHSA-N 0 3 381.480 2.034 10 0 GEAEHN Cc1ccc(C)c(CN2CCC[C@H](n3cc(C(=O)N4CCOCC4)nn3)C2)c1 ZINC000014997151 210140262 /nfs/dbraw/zinc/14/02/62/210140262.db2.gz XBJQKDXDGCTCHQ-IBGZPJMESA-N 0 3 383.496 2.204 10 0 GEAEHN CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccsc1)C2 ZINC000014747746 210127033 /nfs/dbraw/zinc/12/70/33/210127033.db2.gz RDJZINAGNFRWSE-MRXNPFEDSA-N 0 3 388.537 2.474 10 0 GEAEHN CNC(=O)c1nn(Cc2ccccc2)c2c1C[C@H](NCc1ccncc1)CC2 ZINC000014542109 210120888 /nfs/dbraw/zinc/12/08/88/210120888.db2.gz KCGFFJMRQHUQEY-GOSISDBHSA-N 0 3 375.476 2.333 10 0 GEAEHN Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1ccc3c(c1)OCO3)C2 ZINC000014537305 210120026 /nfs/dbraw/zinc/12/00/26/210120026.db2.gz MKVOSCCYQYCSFS-MRXNPFEDSA-N 0 3 396.491 2.422 10 0 GEAEHN CN(C)C[C@H]1CN(CCC(=O)Nc2ccc(Br)cc2F)CCO1 ZINC000155304192 531674377 /nfs/dbraw/zinc/67/43/77/531674377.db2.gz KJCHISCAQBKVAX-ZDUSSCGKSA-N 0 3 388.281 2.179 10 0 GEAEHN CN(C)C[C@H]1CN(Cc2nc(-c3cccc(Br)c3)no2)CCO1 ZINC000155370588 531681369 /nfs/dbraw/zinc/68/13/69/531681369.db2.gz MQHTVRLIFNINIV-AWEZNQCLSA-N 0 3 381.274 2.262 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000176898075 532153934 /nfs/dbraw/zinc/15/39/34/532153934.db2.gz SUBDUMLIOKDIFX-LBPRGKRZSA-N 0 3 386.265 2.469 10 0 GEAEHN CC(C)N1C[C@H](NC(=O)c2ccc(Br)cc2-n2cncn2)[C@@H](C)C1 ZINC000126452101 532148889 /nfs/dbraw/zinc/14/88/89/532148889.db2.gz OQQUSNNFPSHWET-WFASDCNBSA-N 0 3 392.301 2.488 10 0 GEAEHN COc1ccc(C(=O)N2CCN3CCC[C@H]3C2)c(I)c1 ZINC000177549665 532175850 /nfs/dbraw/zinc/17/58/50/532175850.db2.gz LXWHOVNRWHAFOI-NSHDSACASA-N 0 3 386.233 2.220 10 0 GEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000183548175 532326248 /nfs/dbraw/zinc/32/62/48/532326248.db2.gz LIEZJXCHVVDCLX-IUODEOHRSA-N 0 3 385.295 2.444 10 0 GEAEHN Cc1ccc([C@H](CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)N2CCOCC2)s1 ZINC000183221910 532322111 /nfs/dbraw/zinc/32/21/11/532322111.db2.gz RAQMOHZNKFWNDU-RYRKJORJSA-N 0 3 386.583 2.375 10 0 GEAEHN CN(C)[C@H]1CCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000186295930 532340512 /nfs/dbraw/zinc/34/05/12/532340512.db2.gz KMBKJSFVISHNAN-VIFPVBQESA-N 0 3 377.080 2.383 10 0 GEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)NCCOCC(F)F)C1 ZINC000190267684 532355442 /nfs/dbraw/zinc/35/54/42/532355442.db2.gz UEWDBOFAVVHYEM-ZDUSSCGKSA-N 0 3 376.473 2.197 10 0 GEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccc(C(N)=O)s2)C1 ZINC000190562140 532356873 /nfs/dbraw/zinc/35/68/73/532356873.db2.gz AUGFMTRTULABHD-LBPRGKRZSA-N 0 3 378.523 2.206 10 0 GEAEHN CN(C)CCOC(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000005957910 209233050 /nfs/dbraw/zinc/23/30/50/209233050.db2.gz JGNOANKJMYVMJI-UHFFFAOYSA-N 0 3 397.431 2.154 10 0 GEAEHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](N(C)CCc2ccccc2)C1 ZINC000067921530 211029242 /nfs/dbraw/zinc/02/92/42/211029242.db2.gz SWOBLWNIVAHVBL-GOSISDBHSA-N 0 3 376.526 2.354 10 0 GEAEHN Cc1noc2ncnc(N3CCC(C(=O)NCCN4CCCC[C@H]4C)CC3)c12 ZINC000020944877 210370957 /nfs/dbraw/zinc/37/09/57/210370957.db2.gz BNVVMWWAOHWJIM-CQSZACIVSA-N 0 3 386.500 2.133 10 0 GEAEHN Cc1nc(-c2cccnc2N2CCC(C(=O)NCCN3CCCCC3)CC2)no1 ZINC000065227640 136160516 /nfs/dbraw/zinc/16/05/16/136160516.db2.gz CAOGFIYJLMBJQZ-UHFFFAOYSA-N 0 3 398.511 2.259 10 0 GEAEHN Cc1nc2cc(N3CCC(C(=O)NCCN4CCCC4)CC3)cnc2nc1C ZINC000065227492 136160578 /nfs/dbraw/zinc/16/05/78/136160578.db2.gz OBPXNUCWYFXHFM-UHFFFAOYSA-N 0 3 382.512 2.070 10 0 GEAEHN O=C(NCCN1CCCCC1)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1 ZINC000065256195 136162149 /nfs/dbraw/zinc/16/21/49/136162149.db2.gz HWIPRUCZOYAPQW-OAQYLSRUSA-N 0 3 393.535 2.448 10 0 GEAEHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCN(CCO)CC2)n1 ZINC000006086204 570240197 /nfs/dbraw/zinc/24/01/97/570240197.db2.gz NPIRBWFJAUTQSO-UHFFFAOYSA-N 0 3 377.558 2.264 10 0 GEAEHN COCCN1CCN(CCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000106107603 643223384 /nfs/dbraw/zinc/22/33/84/643223384.db2.gz GNWOAMLDCBZVHO-CQSZACIVSA-N 0 3 384.318 2.430 10 0 GEAEHN Cc1cnn(CCN[C@H](C)C(=O)Nc2cccc(I)c2)c1 ZINC000112552225 643365090 /nfs/dbraw/zinc/36/50/90/643365090.db2.gz LQRRDVQZIWTXOC-GFCCVEGCSA-N 0 3 398.248 2.413 10 0 GEAEHN Cc1cnn(CCN[C@H](C)C(=O)Nc2ccc(I)cc2)c1 ZINC000112552191 643365338 /nfs/dbraw/zinc/36/53/38/643365338.db2.gz MPJLFORCMHMKQR-GFCCVEGCSA-N 0 3 398.248 2.413 10 0 GEAEHN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000113305553 643394278 /nfs/dbraw/zinc/39/42/78/643394278.db2.gz MINXSDYZICPDOO-QWHCGFSZSA-N 0 3 375.897 2.324 10 0 GEAEHN CCN1CCC[C@@H](NC(=O)c2cccn3c(I)cnc23)C1 ZINC000177199322 644410716 /nfs/dbraw/zinc/41/07/16/644410716.db2.gz CDUNOAWTAANQQI-LLVKDONJSA-N 0 3 398.248 2.153 10 0 GEAEHN Cc1nc(C)c(S(=O)(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)s1 ZINC000192936478 645232501 /nfs/dbraw/zinc/23/25/01/645232501.db2.gz XUFYLFUPVOGZBD-INIZCTEOSA-N 0 3 380.539 2.298 10 0 GEAEHN COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C[NH3+] ZINC000193291509 645262728 /nfs/dbraw/zinc/26/27/28/645262728.db2.gz XTRASLMPZPBBEK-LDYMZIIASA-N 0 3 381.267 2.003 10 0 GEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CC(=O)N(C)CC(F)(F)F)C1 ZINC000195265872 645367766 /nfs/dbraw/zinc/36/77/66/645367766.db2.gz SMAOVYURZUJPTK-ZDUSSCGKSA-N 0 3 378.464 2.226 10 0 GEAEHN C[C@H](O)CN1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000247571336 645513891 /nfs/dbraw/zinc/51/38/91/645513891.db2.gz HFSNKEZQFXFMHG-YDHLFZDLSA-N 0 3 377.312 2.120 10 0 GEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000248731956 645535331 /nfs/dbraw/zinc/53/53/31/645535331.db2.gz LSYYFMDMZBYRMB-HZPDHXFCSA-N 0 3 387.571 2.104 10 0 GEAEHN C[NH2+][C@@H](C)C[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000261822197 645603670 /nfs/dbraw/zinc/60/36/70/645603670.db2.gz UNYHYRMZTPRKSJ-VIFPVBQESA-N 0 3 390.328 2.459 10 0 GEAEHN CC(C)(C)OC(=O)N1C[C@@H](CNCc2ccc(Br)cn2)[C@H](O)C1 ZINC000702782777 653320392 /nfs/dbraw/zinc/32/03/92/653320392.db2.gz FOOYXZMVCONWEV-BXUZGUMPSA-N 0 3 386.290 2.162 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CCO1 ZINC000152218049 531538842 /nfs/dbraw/zinc/53/88/42/531538842.db2.gz BRFPNUAGRJQJDS-OAHLLOKOSA-N 0 3 393.285 2.037 10 0 GEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000152563758 531559104 /nfs/dbraw/zinc/55/91/04/531559104.db2.gz PRRUKGXYUKQACR-CQSZACIVSA-N 0 3 389.949 2.101 10 0 GEAEHN CN(C(=O)NCCSC(F)(F)F)C1CCN(CCn2cccn2)CC1 ZINC000171759187 531916668 /nfs/dbraw/zinc/91/66/68/531916668.db2.gz RIGMRQQHOKMUPB-UHFFFAOYSA-N 0 3 379.452 2.242 10 0 GEAEHN C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000172124254 531934622 /nfs/dbraw/zinc/93/46/22/531934622.db2.gz VKPWKULUSRGVSU-CZUORRHYSA-N 0 3 384.318 2.352 10 0 GEAEHN C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1cccc(Br)c1 ZINC000114167647 531956237 /nfs/dbraw/zinc/95/62/37/531956237.db2.gz XCTPIIHNKHQXLC-JSGCOSHPSA-N 0 3 382.302 2.036 10 0 GEAEHN COc1c(Br)c(C)sc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000173523022 532016121 /nfs/dbraw/zinc/01/61/21/532016121.db2.gz WRKXSMCBKLKBGW-SNVBAGLBSA-N 0 3 377.304 2.230 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000176888466 532152898 /nfs/dbraw/zinc/15/28/98/532152898.db2.gz PRGVKRVSRPOGHY-LBPRGKRZSA-N 0 3 386.265 2.469 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000176901310 532153844 /nfs/dbraw/zinc/15/38/44/532153844.db2.gz JFUCKBOLDHYTOL-LBPRGKRZSA-N 0 3 386.265 2.469 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000126451849 532149017 /nfs/dbraw/zinc/14/90/17/532149017.db2.gz OQQUSNNFPSHWET-DOMZBBRYSA-N 0 3 392.301 2.488 10 0 GEAEHN O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@@H]1CSCCS1 ZINC000177351401 532168922 /nfs/dbraw/zinc/16/89/22/532168922.db2.gz IEYPZIKSMBIUOQ-MSOLQXFVSA-N 0 3 380.579 2.397 10 0 GEAEHN O=C(c1cc(I)c(F)cc1F)N1CCN2CCC[C@H]2C1 ZINC000178549806 532204783 /nfs/dbraw/zinc/20/47/83/532204783.db2.gz XQMLZXVYEACANK-VIFPVBQESA-N 0 3 392.187 2.490 10 0 GEAEHN CN(C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCN(S(C)(=O)=O)CC1 ZINC000179617750 532238211 /nfs/dbraw/zinc/23/82/11/532238211.db2.gz MPWIEMJYDSWDPR-INIZCTEOSA-N 0 3 385.917 2.189 10 0 GEAEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc(Br)nn2C)C1 ZINC000192217852 532394904 /nfs/dbraw/zinc/39/49/04/532394904.db2.gz KCVMVWVEBRQXID-CQSZACIVSA-N 0 3 392.301 2.172 10 0 GEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000246308225 532536537 /nfs/dbraw/zinc/53/65/37/532536537.db2.gz DPKUVKKWHNUVNA-IINYFYTJSA-N 0 3 386.265 2.372 10 0 GEAEHN C[C@@H](NC[C@@H](c1cccs1)N1CCO[C@H](C)C1)C(=O)NCC(F)(F)F ZINC000247252254 532546875 /nfs/dbraw/zinc/54/68/75/532546875.db2.gz YZVZXRSLSFOKPE-UPJWGTAASA-N 0 3 379.448 2.167 10 0 GEAEHN Cc1cc(NC(=O)[C@H](C)N[C@H]2CCc3ncnn3C2)ccc1Br ZINC000112550223 643365211 /nfs/dbraw/zinc/36/52/11/643365211.db2.gz SQEHIMQGHYPEMR-AAEUAGOBSA-N 0 3 378.274 2.281 10 0 GEAEHN C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccccc1Br ZINC000114161077 643408868 /nfs/dbraw/zinc/40/88/68/643408868.db2.gz AUIIPRWACFOFLO-OLZOCXBDSA-N 0 3 382.302 2.036 10 0 GEAEHN Cc1cccc(C(=O)N2CCO[C@H](CN(C)C)C2)c1I ZINC000116789615 643468865 /nfs/dbraw/zinc/46/88/65/643468865.db2.gz DMXXPQGGIJTROV-GFCCVEGCSA-N 0 3 388.249 2.002 10 0 GEAEHN Cc1cc(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)c(C)cc1Br ZINC000116900462 643475883 /nfs/dbraw/zinc/47/58/83/643475883.db2.gz ZCDOILXFUSBOLT-CYBMUJFWSA-N 0 3 391.331 2.017 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCc3c2cccc3Br)CCO1 ZINC000117044751 643480765 /nfs/dbraw/zinc/48/07/65/643480765.db2.gz JBJQYQWRTYOJFO-WBMJQRKESA-N 0 3 382.302 2.408 10 0 GEAEHN CCC[C@@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)N(C)C ZINC000130527366 643842296 /nfs/dbraw/zinc/84/22/96/643842296.db2.gz AYTLWSUHXBVECU-INIZCTEOSA-N 0 3 396.329 2.464 10 0 GEAEHN C[C@@H](NC[C@H](O)COc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000192930864 645231578 /nfs/dbraw/zinc/23/15/78/645231578.db2.gz OKTQLMNDUFPSKU-OCCSQVGLSA-N 0 3 384.885 2.078 10 0 GEAEHN Cc1nc(C)c(S(=O)(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)s1 ZINC000192936466 645232771 /nfs/dbraw/zinc/23/27/71/645232771.db2.gz XUFYLFUPVOGZBD-MRXNPFEDSA-N 0 3 380.539 2.298 10 0 GEAEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000246105127 645475424 /nfs/dbraw/zinc/47/54/24/645475424.db2.gz HRNCOQWGVWISTP-KBPBESRZSA-N 0 3 386.901 2.374 10 0 GEAEHN Cn1cc([C@@H]2CCN(C[C@@H](O)COc3cccc(Br)c3)C2)cn1 ZINC000246787376 645494589 /nfs/dbraw/zinc/49/45/89/645494589.db2.gz ACNHOMSKYADUBS-CZUORRHYSA-N 0 3 380.286 2.412 10 0 GEAEHN C[C@H](O)CN1CCN(Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C ZINC000247581425 645514294 /nfs/dbraw/zinc/51/42/94/645514294.db2.gz IMGJXVDKYFGPRY-STQMWFEESA-N 0 3 385.302 2.107 10 0 GEAEHN C[C@H](O)CN1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000247808879 645519897 /nfs/dbraw/zinc/51/98/97/645519897.db2.gz UEDCBBUZVVGSBQ-KCQAQPDRSA-N 0 3 377.312 2.120 10 0 GEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000154079789 531621829 /nfs/dbraw/zinc/62/18/29/531621829.db2.gz BMHCPSCWGVDSRH-OAHLLOKOSA-N 0 3 384.318 2.271 10 0 GEAEHN CC(C)N1C[C@H](NC(=O)CSc2nnc(-c3cccs3)n2C)[C@@H](C)C1 ZINC000155576768 531690883 /nfs/dbraw/zinc/69/08/83/531690883.db2.gz CPWLWOOSRINNJB-STQMWFEESA-N 0 3 379.555 2.481 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CCO1 ZINC000116783452 531960916 /nfs/dbraw/zinc/96/09/16/531960916.db2.gz LKQJCVBNVLAAOJ-INIZCTEOSA-N 0 3 393.285 2.037 10 0 GEAEHN Cc1nc(-c2ccc(S(=O)(=O)N3CCO[C@@H](CN(C)C)C3)s2)cs1 ZINC000120681868 531988267 /nfs/dbraw/zinc/98/82/67/531988267.db2.gz DTLJSAUPZFWUNG-LBPRGKRZSA-N 0 3 387.552 2.131 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)NCC2(c3ccccc3Br)CC2)CCO1 ZINC000121094468 532012626 /nfs/dbraw/zinc/01/26/26/532012626.db2.gz PUTYLVRVRCTDDH-AWEZNQCLSA-N 0 3 396.329 2.453 10 0 GEAEHN O=C(CCN1CC[C@@H](N2CCOCC2)C1)Nc1ccccc1Br ZINC000173610334 532022824 /nfs/dbraw/zinc/02/28/24/532022824.db2.gz ZCSCJYJWBSEVCB-CQSZACIVSA-N 0 3 382.302 2.184 10 0 GEAEHN O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@H]1CSCCS1 ZINC000177351427 532168299 /nfs/dbraw/zinc/16/82/99/532168299.db2.gz IEYPZIKSMBIUOQ-QZTJIDSGSA-N 0 3 380.579 2.397 10 0 GEAEHN CCC[C@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)N(C)C ZINC000130244855 532191274 /nfs/dbraw/zinc/19/12/74/532191274.db2.gz MIDOFKNTVHNGPC-OAHLLOKOSA-N 0 3 384.318 2.416 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000185570414 532338007 /nfs/dbraw/zinc/33/80/07/532338007.db2.gz BSZOOMGNRZRPNA-HNNXBMFYSA-N 0 3 395.301 2.402 10 0 GEAEHN COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000184675395 532334338 /nfs/dbraw/zinc/33/43/38/532334338.db2.gz XRGBQHXCWAUAPX-LBPRGKRZSA-N 0 3 396.285 2.011 10 0 GEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CCO1 ZINC000192209168 532395255 /nfs/dbraw/zinc/39/52/55/532395255.db2.gz HUVACCTZAARJKR-SNVBAGLBSA-N 0 3 397.722 2.054 10 0 GEAEHN C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1N1CCOCC1 ZINC000246453113 532539134 /nfs/dbraw/zinc/53/91/34/532539134.db2.gz MXOCLSKPRVSKLG-FRFSOERESA-N 0 3 389.323 2.386 10 0 GEAEHN C[C@H](O)CN1CCN(Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000245718285 532523058 /nfs/dbraw/zinc/52/30/58/532523058.db2.gz HMMSWFFNOKROQK-OLZOCXBDSA-N 0 3 385.302 2.107 10 0 GEAEHN C/C(=C\c1ccccc1)CN1CCC[C@@H](n2cc(C(=O)N(C)CCO)nn2)C1 ZINC000012279008 221174349 /nfs/dbraw/zinc/17/43/49/221174349.db2.gz IGSYDLUKQLYSSB-XEYRCQSKSA-N 0 3 383.496 2.083 10 0 GEAEHN CC(C)C(=O)NCCc1nnc2n1CCN(Cc1ccc3cccnc3c1)CC2 ZINC000014888460 221318852 /nfs/dbraw/zinc/31/88/52/221318852.db2.gz TURQYTQXFQHTHW-UHFFFAOYSA-N 0 3 392.507 2.199 10 0 GEAEHN Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(N2CCN(CC3CC3)CC2)nc1 ZINC000067172011 136164352 /nfs/dbraw/zinc/16/43/52/136164352.db2.gz GRAJBEJKFOMXQG-UHFFFAOYSA-N 0 3 393.491 2.273 10 0 GEAEHN O=C1CCN(Cc2cc3n(n2)CCCN(CCCc2ccccc2)C3)CCN1 ZINC000072122598 222209016 /nfs/dbraw/zinc/20/90/16/222209016.db2.gz SPDCAYZYOODSMH-UHFFFAOYSA-N 0 3 381.524 2.044 10 0 GEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3coc(Br)c3)CC2)nc1 ZINC000114414386 643417895 /nfs/dbraw/zinc/41/78/95/643417895.db2.gz QGIWOAYGWXFPDE-UHFFFAOYSA-N 0 3 393.285 2.461 10 0 GEAEHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000116900554 643475941 /nfs/dbraw/zinc/47/59/41/643475941.db2.gz GZWSYBDYUGDIFY-NSHDSACASA-N 0 3 386.823 2.310 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)Nc2cccc(I)c2)CCO1 ZINC000118791645 643522461 /nfs/dbraw/zinc/52/24/61/643522461.db2.gz OOVMGVGQUIDPJW-ZDUSSCGKSA-N 0 3 389.237 2.086 10 0 GEAEHN C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000192930950 645231495 /nfs/dbraw/zinc/23/14/95/645231495.db2.gz HVRPVIUXYZEBJL-IUODEOHRSA-N 0 3 384.885 2.078 10 0 GEAEHN CCN1CCC[C@@H](NC(=O)NCC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000194548911 645333697 /nfs/dbraw/zinc/33/36/97/645333697.db2.gz WMLFNJCTVUQHLW-CQSZACIVSA-N 0 3 397.317 2.480 10 0 GEAEHN O[C@@H](COc1cc(Cl)ccc1Cl)CN1CC[C@@H](N2CCOCC2)C1 ZINC000247227266 645508733 /nfs/dbraw/zinc/50/87/33/645508733.db2.gz WQBRMCPTGCUAQX-HUUCEWRRSA-N 0 3 375.296 2.140 10 0 GEAEHN CS(=O)(=O)c1ccsc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000606445020 651553755 /nfs/dbraw/zinc/55/37/55/651553755.db2.gz IXMZZXSRBQHASF-IUCAKERBSA-N 0 3 387.401 2.074 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)CSc2nnc(-c3cccs3)n2C)C1 ZINC000155576635 531690481 /nfs/dbraw/zinc/69/04/81/531690481.db2.gz CPWLWOOSRINNJB-OLZOCXBDSA-N 0 3 379.555 2.481 10 0 GEAEHN CN(C)C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000047527424 531715777 /nfs/dbraw/zinc/71/57/77/531715777.db2.gz YVSMCWIUGAOUMO-OAHLLOKOSA-N 0 3 378.270 2.030 10 0 GEAEHN Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171897869 531922076 /nfs/dbraw/zinc/92/20/76/531922076.db2.gz OWNZYGMBBJIQQC-CQSZACIVSA-N 0 3 395.301 2.186 10 0 GEAEHN Cc1sc2ncnc(SCC(=O)N3CCO[C@H](CN(C)C)C3)c2c1C ZINC000116784588 531960846 /nfs/dbraw/zinc/96/08/46/531960846.db2.gz OUSAFHQVNBPLFY-CYBMUJFWSA-N 0 3 380.539 2.189 10 0 GEAEHN C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1cccc(Br)c1 ZINC000114167649 531955936 /nfs/dbraw/zinc/95/59/36/531955936.db2.gz XCTPIIHNKHQXLC-OCCSQVGLSA-N 0 3 382.302 2.036 10 0 GEAEHN O=S(=O)(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)c1cccs1 ZINC000119502432 531970868 /nfs/dbraw/zinc/97/08/68/531970868.db2.gz PYJHBIHKFCUDMY-QGZVFWFLSA-N 0 3 380.535 2.472 10 0 GEAEHN O=S(=O)(NCC1CCN(C[C@H](O)c2ccccc2)CC1)c1cccs1 ZINC000119502566 531971323 /nfs/dbraw/zinc/97/13/23/531971323.db2.gz PYJHBIHKFCUDMY-KRWDZBQOSA-N 0 3 380.535 2.472 10 0 GEAEHN CC[C@H]1CN(Cc2cnc3ccc(Br)cn23)CCN1C[C@@H](C)O ZINC000120687233 531990589 /nfs/dbraw/zinc/99/05/89/531990589.db2.gz XSARUTITYJHDIS-HIFRSBDPSA-N 0 3 381.318 2.374 10 0 GEAEHN COc1cc(NC(=O)NC[C@H](O)CN2CCCCC2)ccc1Br ZINC000175026686 532086897 /nfs/dbraw/zinc/08/68/97/532086897.db2.gz WNQYSKFDQNPHFL-ZDUSSCGKSA-N 0 3 386.290 2.426 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000176888447 532153375 /nfs/dbraw/zinc/15/33/75/532153375.db2.gz PRGVKRVSRPOGHY-GFCCVEGCSA-N 0 3 386.265 2.469 10 0 GEAEHN CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000177003051 532158800 /nfs/dbraw/zinc/15/88/00/532158800.db2.gz ODVKWVGWIRRZDX-CQSZACIVSA-N 0 3 398.301 2.337 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CNC(=O)c1ccc(Br)s1 ZINC000177424299 532170793 /nfs/dbraw/zinc/17/07/93/532170793.db2.gz JAXRCTANLQITLJ-LLVKDONJSA-N 0 3 388.331 2.183 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCO1 ZINC000177678107 532178606 /nfs/dbraw/zinc/17/86/06/532178606.db2.gz YCHRKIKSDKIRPL-SECBINFHSA-N 0 3 394.686 2.374 10 0 GEAEHN O[C@@H](COc1cccc(Br)c1)CN1CCC[C@H](Cn2ccnn2)C1 ZINC000178871551 532215694 /nfs/dbraw/zinc/21/56/94/532215694.db2.gz SPAAQRVRETXCBA-GOEBONIOSA-N 0 3 395.301 2.193 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000150785600 532301870 /nfs/dbraw/zinc/30/18/70/532301870.db2.gz VIMLMXQZHBAUAC-DOMZBBRYSA-N 0 3 394.313 2.183 10 0 GEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Cn1cc(Br)ccc1=O ZINC000182065348 532308722 /nfs/dbraw/zinc/30/87/22/532308722.db2.gz ZTMKJTGXLXVUEA-AWEZNQCLSA-N 0 3 392.297 2.248 10 0 GEAEHN Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c(Br)c1 ZINC000190087159 532354802 /nfs/dbraw/zinc/35/48/02/532354802.db2.gz SXFVVCCUFHXLMY-STQMWFEESA-N 0 3 380.286 2.391 10 0 GEAEHN COc1cc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)ccc1Br ZINC000190085459 532354837 /nfs/dbraw/zinc/35/48/37/532354837.db2.gz PFVHARYMDSTFCZ-DGCLKSJQSA-N 0 3 396.285 2.091 10 0 GEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc(Br)nn2C)C1 ZINC000192217859 532394636 /nfs/dbraw/zinc/39/46/36/532394636.db2.gz KCVMVWVEBRQXID-AWEZNQCLSA-N 0 3 392.301 2.172 10 0 GEAEHN Cc1nc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)ccc1Br ZINC000193040803 532418900 /nfs/dbraw/zinc/41/89/00/532418900.db2.gz CBSZPBOQMXRQOG-GFCCVEGCSA-N 0 3 385.306 2.184 10 0 GEAEHN Cc1c(Cl)cc(NC(=O)C(=O)NC[C@@H](O)CN2CCCCC2)cc1Cl ZINC000195248869 532473607 /nfs/dbraw/zinc/47/36/07/532473607.db2.gz OTNVOQQKZLFCDG-CYBMUJFWSA-N 0 3 388.295 2.203 10 0 GEAEHN C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000246453146 532539290 /nfs/dbraw/zinc/53/92/90/532539290.db2.gz MXOCLSKPRVSKLG-UNEWFSDZSA-N 0 3 389.323 2.386 10 0 GEAEHN COc1cc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)ccc1Br ZINC000246443812 532539818 /nfs/dbraw/zinc/53/98/18/532539818.db2.gz ODHSIPGUMFVCNX-SMDDNHRTSA-N 0 3 398.301 2.241 10 0 GEAEHN C[C@H](O)CN1CCN(CCOc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000249400782 532564459 /nfs/dbraw/zinc/56/44/59/532564459.db2.gz UZNPMNOLBXKHOV-STQMWFEESA-N 0 3 375.282 2.354 10 0 GEAEHN N[C@@H](C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)C1CCOCC1 ZINC000262168634 532586720 /nfs/dbraw/zinc/58/67/20/532586720.db2.gz YLZXDEZFWHMHFM-CXAGYDPISA-N 0 3 396.329 2.146 10 0 GEAEHN CCn1cc(CNCc2ccc(OC)c(OC[C@@H](O)CN3CCCC3)c2)cn1 ZINC000012595849 221212437 /nfs/dbraw/zinc/21/24/37/221212437.db2.gz HSNUNOQGAGJERQ-IBGZPJMESA-N 0 3 388.512 2.037 10 0 GEAEHN Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N(CCO)Cc1ccccc1)C2 ZINC000014542242 221311929 /nfs/dbraw/zinc/31/19/29/221311929.db2.gz BDNQVFACNLKVEG-IBGZPJMESA-N 0 3 396.535 2.398 10 0 GEAEHN COC(=O)CC[C@H]1CN(Cc2ccc(F)c(F)c2)CC[C@H]1N1CCOCC1 ZINC000014996222 221325176 /nfs/dbraw/zinc/32/51/76/221325176.db2.gz HQVNZJXPMDFGKO-QFBILLFUSA-N 0 3 382.451 2.441 10 0 GEAEHN Cc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COCc2ccco2)cc1 ZINC000036101697 570538631 /nfs/dbraw/zinc/53/86/31/570538631.db2.gz RNAYDVSCOQYTHX-OAQYLSRUSA-N 0 3 388.508 2.300 10 0 GEAEHN O=C(NCCN1CCCC1)[C@@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033019045 570631712 /nfs/dbraw/zinc/63/17/12/570631712.db2.gz FBIAQFJLMFMNTL-QGZVFWFLSA-N 0 3 392.507 2.311 10 0 GEAEHN C[C@H](N)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000077270694 570978066 /nfs/dbraw/zinc/97/80/66/570978066.db2.gz UQRIFZCMNCZLJQ-LPHOPBHVSA-N 0 3 398.459 2.085 10 0 in-vitro GEAEHN CC(=O)N1CCc2[nH]cnc2C12CCN(Cc1nc(C)n3ccccc13)CC2 ZINC000091382174 571005825 /nfs/dbraw/zinc/00/58/25/571005825.db2.gz WUGMHOOQVBGFMJ-UHFFFAOYSA-N 0 3 378.480 2.262 10 0 GEAEHN CC(=O)N1CCc2nc[nH]c2C12CCN(Cc1nc(C)n3ccccc13)CC2 ZINC000091382174 571005828 /nfs/dbraw/zinc/00/58/28/571005828.db2.gz WUGMHOOQVBGFMJ-UHFFFAOYSA-N 0 3 378.480 2.262 10 0 GEAEHN Cc1cc(NC(=O)[C@H](C)N[C@@H]2CCc3ncnn3C2)ccc1Br ZINC000112550220 643365309 /nfs/dbraw/zinc/36/53/09/643365309.db2.gz SQEHIMQGHYPEMR-WCQYABFASA-N 0 3 378.274 2.281 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)N[C@@H]2CCc3c2cccc3Br)CCO1 ZINC000117044748 643480769 /nfs/dbraw/zinc/48/07/69/643480769.db2.gz JBJQYQWRTYOJFO-BLLLJJGKSA-N 0 3 382.302 2.408 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCc3c2cccc3Br)CCO1 ZINC000117044746 643480785 /nfs/dbraw/zinc/48/07/85/643480785.db2.gz JBJQYQWRTYOJFO-MLGOLLRUSA-N 0 3 382.302 2.408 10 0 GEAEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000120328518 643600356 /nfs/dbraw/zinc/60/03/56/643600356.db2.gz GRPMINQYMBQNNU-LBPRGKRZSA-N 0 3 375.922 2.050 10 0 GEAEHN C[C@@H](NC[C@@H](O)COc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000192930892 645231470 /nfs/dbraw/zinc/23/14/70/645231470.db2.gz OKTQLMNDUFPSKU-TZMCWYRMSA-N 0 3 384.885 2.078 10 0 GEAEHN COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC[NH2+][C@@H]2C)c(Cl)cc1Cl ZINC000193452521 645274898 /nfs/dbraw/zinc/27/48/98/645274898.db2.gz UFPCEMDSZOKEEL-PELKAZGASA-N 0 3 381.281 2.199 10 0 GEAEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000246529852 645485050 /nfs/dbraw/zinc/48/50/50/645485050.db2.gz UVSVGWTXRXAIIY-STQMWFEESA-N 0 3 386.901 2.374 10 0 GEAEHN C[C@@H](N[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000249352938 645553131 /nfs/dbraw/zinc/55/31/31/645553131.db2.gz XGCPUKATCGFLTK-XQQFMLRXSA-N 0 3 381.523 2.312 10 0 GEAEHN C[C@@H](NC(=O)[C@H](N)C1CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000261860683 645606670 /nfs/dbraw/zinc/60/66/70/645606670.db2.gz SFEKQFWIHLRVQA-QLJPJBMISA-N 0 3 399.285 2.151 10 0 GEAEHN CC[C@H]1CN(C(=O)[C@](C)(N)c2ccc(Br)cc2)CCN1CCOC ZINC000261877310 645608096 /nfs/dbraw/zinc/60/80/96/645608096.db2.gz YNVABMWIWBIAQY-FUHWJXTLSA-N 0 3 398.345 2.192 10 0 GEAEHN O=S(=O)(NCCN[C@@H]1CCc2c1cccc2Br)c1cccnc1 ZINC000152008845 531528391 /nfs/dbraw/zinc/52/83/91/531528391.db2.gz DNJAHCJVDPSXEV-MRXNPFEDSA-N 0 3 396.310 2.400 10 0 GEAEHN Cc1ccc(I)cc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000155201769 531664513 /nfs/dbraw/zinc/66/45/13/531664513.db2.gz IVZXMMCYPWYCOH-CYBMUJFWSA-N 0 3 388.249 2.002 10 0 GEAEHN CC(=O)NC[C@H]1CCCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000067412136 531885413 /nfs/dbraw/zinc/88/54/13/531885413.db2.gz RRCMKIHJCQCRMC-ZBFHGGJFSA-N 0 3 385.302 2.037 10 0 GEAEHN O[C@@H](COc1cccc(Br)c1)CN1CCC[C@H](n2cncn2)C1 ZINC000171525215 531908270 /nfs/dbraw/zinc/90/82/70/531908270.db2.gz VLSPXDINAGWKNG-LSDHHAIUSA-N 0 3 381.274 2.117 10 0 GEAEHN CN(C)[C@@H]1CCN(C(=O)c2cc(I)c(F)cc2F)C1 ZINC000122310137 532066193 /nfs/dbraw/zinc/06/61/93/532066193.db2.gz QMGJVHQGLZKSJO-MRVPVSSYSA-N 0 3 380.176 2.346 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000176894720 532154277 /nfs/dbraw/zinc/15/42/77/532154277.db2.gz JXQCGAXOKVKJNA-ZDUSSCGKSA-N 0 3 398.301 2.339 10 0 GEAEHN CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177687480 532179199 /nfs/dbraw/zinc/17/91/99/532179199.db2.gz IWHFGIOFUDOYNU-CYBMUJFWSA-N 0 3 396.285 2.093 10 0 GEAEHN C[C@@H](C(=O)Nc1ccc(I)cc1)N1CCN2CCC[C@@H]2C1 ZINC000178636179 532208384 /nfs/dbraw/zinc/20/83/84/532208384.db2.gz KVJIFJQKFFYBCM-SWLSCSKDSA-N 0 3 399.276 2.398 10 0 GEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)Nc1ccc(Br)cn1 ZINC000178749317 532212338 /nfs/dbraw/zinc/21/23/38/532212338.db2.gz OBVNCAKAAHTSDT-AWEZNQCLSA-N 0 3 378.274 2.452 10 0 GEAEHN Cc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)cnc1Br ZINC000182705324 532316296 /nfs/dbraw/zinc/31/62/96/532316296.db2.gz VRFYUSDMZGSUQD-ZDUSSCGKSA-N 0 3 385.306 2.184 10 0 GEAEHN CN(C)[C@@H]1CCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000186295916 532340463 /nfs/dbraw/zinc/34/04/63/532340463.db2.gz KMBKJSFVISHNAN-SECBINFHSA-N 0 3 377.080 2.383 10 0 GEAEHN CCOc1ccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cc1Br ZINC000188891391 532350053 /nfs/dbraw/zinc/35/00/53/532350053.db2.gz VQXDLSYESJXKRF-ZDUSSCGKSA-N 0 3 396.285 2.093 10 0 GEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000190099907 532354811 /nfs/dbraw/zinc/35/48/11/532354811.db2.gz UXYRBFJGIYHMFX-SWLSCSKDSA-N 0 3 392.297 2.033 10 0 GEAEHN Cc1cc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)ncc1Br ZINC000193040870 532419238 /nfs/dbraw/zinc/41/92/38/532419238.db2.gz BIDXHNVUMYZIRJ-GFCCVEGCSA-N 0 3 385.306 2.184 10 0 GEAEHN Cc1c(Cl)cc(NC(=O)C(=O)NC[C@H](O)CN2CCCCC2)cc1Cl ZINC000195248855 532473253 /nfs/dbraw/zinc/47/32/53/532473253.db2.gz OTNVOQQKZLFCDG-ZDUSSCGKSA-N 0 3 388.295 2.203 10 0 GEAEHN O=C(c1cn(C[C@H]2CCCO2)nn1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000011818374 221128176 /nfs/dbraw/zinc/12/81/76/221128176.db2.gz RFFHZMYHOCAKLD-HXUWFJFHSA-N 0 3 395.507 2.120 10 0 GEAEHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)Cc2cccnc2)CC1 ZINC000011821634 221129774 /nfs/dbraw/zinc/12/97/74/221129774.db2.gz AJLSJYRLLHYMSQ-FQEVSTJZSA-N 0 3 386.540 2.243 10 0 GEAEHN O=C(c1cc(COc2ccccc2F)[nH]n1)N1CCN(c2ccncc2)CC1 ZINC000011935916 221138577 /nfs/dbraw/zinc/13/85/77/221138577.db2.gz RMOKCEAPPQJHCR-UHFFFAOYSA-N 0 3 381.411 2.485 10 0 GEAEHN O[C@@H](COc1ccccc1CN1CCOCC1)CN1CCc2ccccc2C1 ZINC000012592663 221210824 /nfs/dbraw/zinc/21/08/24/221210824.db2.gz FUCWEVLFMDJIKQ-JOCHJYFZSA-N 0 3 382.504 2.317 10 0 GEAEHN O[C@H]1[C@H](N2CCSCC2)c2ccccc2C12CCN(c1ncccn1)CC2 ZINC000019742219 136202565 /nfs/dbraw/zinc/20/25/65/136202565.db2.gz OFNDVXSBWMWUDE-MOPGFXCFSA-N 0 3 382.533 2.479 10 0 GEAEHN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N(C)C)cnn2)CC1 ZINC000224309459 136206708 /nfs/dbraw/zinc/20/67/08/136206708.db2.gz HZHJIOHIUGCIFO-UHFFFAOYSA-N 0 3 375.860 2.167 10 0 GEAEHN O=C(CC[C@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1)N1CCOCC1 ZINC000095522688 222348595 /nfs/dbraw/zinc/34/85/95/222348595.db2.gz PLTJHGZABGJXID-QGZVFWFLSA-N 0 3 383.492 2.379 10 0 GEAEHN Cc1ccc(CN2CCC[C@@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)s1 ZINC000583618309 570800527 /nfs/dbraw/zinc/80/05/27/570800527.db2.gz MTKYUQAUJRXCST-MRXNPFEDSA-N 0 3 388.537 2.411 10 0 GEAEHN C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccccc1Br ZINC000114161076 643408748 /nfs/dbraw/zinc/40/87/48/643408748.db2.gz AUIIPRWACFOFLO-STQMWFEESA-N 0 3 382.302 2.036 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)NCCc2ccc(Br)s2)CCO1 ZINC000117028962 643480635 /nfs/dbraw/zinc/48/06/35/643480635.db2.gz XITXWJRYHDSJSK-LLVKDONJSA-N 0 3 376.320 2.025 10 0 GEAEHN Cc1c(I)cccc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000124962791 643696036 /nfs/dbraw/zinc/69/60/36/643696036.db2.gz LNIGHWCQUKDFCP-LBPRGKRZSA-N 0 3 388.249 2.002 10 0 GEAEHN COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC[NH2+][C@H]2C)c(Cl)cc1Cl ZINC000193452534 645274648 /nfs/dbraw/zinc/27/46/48/645274648.db2.gz UFPCEMDSZOKEEL-UFBFGSQYSA-N 0 3 381.281 2.199 10 0 GEAEHN Cn1cc([C@@H]2CCN(C[C@@H](O)COc3ccc(Br)cc3)C2)cn1 ZINC000246927509 645498165 /nfs/dbraw/zinc/49/81/65/645498165.db2.gz IGZVLNIQVSUTNQ-CZUORRHYSA-N 0 3 380.286 2.412 10 0 GEAEHN Cn1cc([C@H]2CCN(C[C@@H](O)COc3ccc(Br)cc3)C2)cn1 ZINC000246927531 645498191 /nfs/dbraw/zinc/49/81/91/645498191.db2.gz IGZVLNIQVSUTNQ-XJKSGUPXSA-N 0 3 380.286 2.412 10 0 GEAEHN O[C@H](COc1cccc(Br)c1)CN1CCS[C@@H]2COCC[C@H]21 ZINC000247494866 645510778 /nfs/dbraw/zinc/51/07/78/645510778.db2.gz ZWWFCCGYWLGNKU-NUEKZKHPSA-N 0 3 388.327 2.395 10 0 GEAEHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000247604044 645514696 /nfs/dbraw/zinc/51/46/96/645514696.db2.gz LKMMFPRSYDNASL-KGLIPLIRSA-N 0 3 384.318 2.165 10 0 GEAEHN C[C@H](O)CN1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000247808365 645519534 /nfs/dbraw/zinc/51/95/34/645519534.db2.gz UAFUKOGUMCZQHR-RDBSUJKOSA-N 0 3 377.312 2.120 10 0 GEAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000248731960 645535355 /nfs/dbraw/zinc/53/53/55/645535355.db2.gz LSYYFMDMZBYRMB-JKSUJKDBSA-N 0 3 387.571 2.104 10 0 GEAEHN C[C@H](NC(=O)[C@H](N)C1CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000261860674 645606647 /nfs/dbraw/zinc/60/66/47/645606647.db2.gz SFEKQFWIHLRVQA-MGPLVRAMSA-N 0 3 399.285 2.151 10 0 GEAEHN CS(=O)(=O)c1ccsc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000606445021 651553410 /nfs/dbraw/zinc/55/34/10/651553410.db2.gz IXMZZXSRBQHASF-RKDXNWHRSA-N 0 3 387.401 2.074 10 0 GEAEHN CS(=O)(=O)c1ccsc1NC(=O)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000606445018 651553783 /nfs/dbraw/zinc/55/37/83/651553783.db2.gz IXMZZXSRBQHASF-BDAKNGLRSA-N 0 3 387.401 2.074 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000155677759 531696749 /nfs/dbraw/zinc/69/67/49/531696749.db2.gz JYBTZYNOYHOYLI-DOMZBBRYSA-N 0 3 387.933 2.049 10 0 GEAEHN NC(=O)CC[C@H]1CCCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000170731724 531890707 /nfs/dbraw/zinc/89/07/07/531890707.db2.gz XHUHTTKHDFWUPC-UKRRQHHQSA-N 0 3 385.302 2.166 10 0 GEAEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000175218113 532094086 /nfs/dbraw/zinc/09/40/86/532094086.db2.gz ZQKBOIDAKZZOSK-NSHDSACASA-N 0 3 379.320 2.466 10 0 GEAEHN Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000179513477 532234086 /nfs/dbraw/zinc/23/40/86/532234086.db2.gz FKQIZOASAVDQGM-GFCCVEGCSA-N 0 3 385.306 2.184 10 0 GEAEHN CN(C)C(=O)CC1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000182177198 532310084 /nfs/dbraw/zinc/31/00/84/532310084.db2.gz IFLVNSWMLYDKAY-MRXNPFEDSA-N 0 3 399.329 2.379 10 0 GEAEHN O=C1CCCN1C[C@@H](O)CN1CCC(Oc2cccc(Br)c2)CC1 ZINC000183824736 532329336 /nfs/dbraw/zinc/32/93/36/532329336.db2.gz WBCCAPMAAJHWCR-HNNXBMFYSA-N 0 3 397.313 2.276 10 0 GEAEHN COc1ccc(Br)c(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000190104530 532354971 /nfs/dbraw/zinc/35/49/71/532354971.db2.gz FPJHSSCBGMXNOL-VXGBXAGGSA-N 0 3 396.285 2.091 10 0 GEAEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccc(C(N)=O)s2)C1 ZINC000190562165 532356883 /nfs/dbraw/zinc/35/68/83/532356883.db2.gz AUGFMTRTULABHD-GFCCVEGCSA-N 0 3 378.523 2.206 10 0 GEAEHN Cc1csc([C@@H]2CCCN(CCOc3ccc(S(N)(=O)=O)cc3)C2)n1 ZINC000195327387 532475089 /nfs/dbraw/zinc/47/50/89/532475089.db2.gz LHBILGSDVFTHQH-CQSZACIVSA-N 0 3 381.523 2.357 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000246308235 532538040 /nfs/dbraw/zinc/53/80/40/532538040.db2.gz DPKUVKKWHNUVNA-QMTHXVAHSA-N 0 3 386.265 2.372 10 0 GEAEHN COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000246491473 532538668 /nfs/dbraw/zinc/53/86/68/532538668.db2.gz RKXUFFFCYLOXJE-XHDPSFHLSA-N 0 3 398.301 2.241 10 0 GEAEHN C[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1N1CCOCC1 ZINC000246634798 532542479 /nfs/dbraw/zinc/54/24/79/532542479.db2.gz ZROZOSRRTWGXJT-UKPHBRMFSA-N 0 3 389.323 2.386 10 0 GEAEHN CCCCS(=O)(=O)NC[C@H](N)c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000034845038 212159679 /nfs/dbraw/zinc/15/96/79/212159679.db2.gz VCCLZDHRHQBAKI-KRWDZBQOSA-N 0 3 376.482 2.053 10 0 GEAEHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3cnccn3)C2)cc1OC ZINC000011838919 221130783 /nfs/dbraw/zinc/13/07/83/221130783.db2.gz BALVZZXQQLFKGJ-QGZVFWFLSA-N 0 3 384.480 2.273 10 0 GEAEHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)Cn4ccnc4)C3)C2)c1OC ZINC000011936040 221139300 /nfs/dbraw/zinc/13/93/00/221139300.db2.gz ZKODUHMNHLGUKT-JOCHJYFZSA-N 0 3 398.507 2.415 10 0 GEAEHN CN(CCc1ccccn1)[C@@H]1CCN(Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC000011937273 221139871 /nfs/dbraw/zinc/13/98/71/221139871.db2.gz IFDHQPGZEBWCFY-DHIUTWEWSA-N 0 3 391.519 2.377 10 0 GEAEHN CN1C(=O)c2ccc(C(=O)N[C@@H]3CCCN(CCc4ccccc4)C3)cc2C1=O ZINC000012590154 221210857 /nfs/dbraw/zinc/21/08/57/221210857.db2.gz NGLCHAUZSCOVSB-GOSISDBHSA-N 0 3 391.471 2.349 10 0 GEAEHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3cc[n+]([O-])cc3)C2)cc1OC ZINC000012717803 221221656 /nfs/dbraw/zinc/22/16/56/221221656.db2.gz CMSOALZJSOZQJP-IBGZPJMESA-N 0 3 399.491 2.116 10 0 GEAEHN C[C@@H](N)C(=O)Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c21 ZINC000077539752 136172444 /nfs/dbraw/zinc/17/24/44/136172444.db2.gz WDKZPCXCAVHWFS-OAHLLOKOSA-N 0 3 379.464 2.207 10 0 GEAEHN Cc1cc(C)n(CCCC(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)n1 ZINC000072167852 222215660 /nfs/dbraw/zinc/21/56/60/222215660.db2.gz ZBYAPFWXGLWOHB-RTWAWAEBSA-N 0 3 382.508 2.215 10 0 GEAEHN COCCN(C)c1cnn([C@@H]2CCCN(CCc3cccs3)C2)c(=O)c1 ZINC000583619573 570800401 /nfs/dbraw/zinc/80/04/01/570800401.db2.gz UWGASLBRZWUNAM-MRXNPFEDSA-N 0 3 376.526 2.267 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CCO1 ZINC000116786872 643468888 /nfs/dbraw/zinc/46/88/88/643468888.db2.gz DLXMFAUPMLPRNW-CYBMUJFWSA-N 0 3 393.285 2.242 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000116791428 643470011 /nfs/dbraw/zinc/47/00/11/643470011.db2.gz YHMPHYXAEHKVET-MRXNPFEDSA-N 0 3 393.285 2.037 10 0 GEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000237022355 645421620 /nfs/dbraw/zinc/42/16/20/645421620.db2.gz VFEFSCXVVYCHLV-QMTHXVAHSA-N 0 3 382.511 2.494 10 0 GEAEHN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000247221401 645508035 /nfs/dbraw/zinc/50/80/35/645508035.db2.gz MINXSDYZICPDOO-OLZOCXBDSA-N 0 3 375.897 2.324 10 0 GEAEHN O[C@H](COc1cccc(Br)c1)CN1CCC[C@@H](n2cncn2)C1 ZINC000247813129 645519853 /nfs/dbraw/zinc/51/98/53/645519853.db2.gz VLSPXDINAGWKNG-CABCVRRESA-N 0 3 381.274 2.117 10 0 GEAEHN C[C@@H](N[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000249352935 645553190 /nfs/dbraw/zinc/55/31/90/645553190.db2.gz XGCPUKATCGFLTK-UPJWGTAASA-N 0 3 381.523 2.312 10 0 GEAEHN N[C@@H](C(=O)Nc1nccn1Cc1ccc(Br)cc1)C1CCOCC1 ZINC000261618515 645591158 /nfs/dbraw/zinc/59/11/58/645591158.db2.gz CABGCYRRHSMDAX-OAHLLOKOSA-N 0 3 393.285 2.386 10 0 GEAEHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2ccc(Br)o2)C1 ZINC000702764095 653319582 /nfs/dbraw/zinc/31/95/82/653319582.db2.gz PCZHFGLAQYKLBL-CMPLNLGQSA-N 0 3 375.263 2.360 10 0 GEAEHN CN(C)C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2Cl)CCO1 ZINC000155379881 531681088 /nfs/dbraw/zinc/68/10/88/531681088.db2.gz NUFZAMIEGKXLJN-LBPRGKRZSA-N 0 3 390.709 2.303 10 0 GEAEHN CCCNC(=O)[C@@H]1CCCN(C[C@H](O)COc2cccc(Br)c2)C1 ZINC000050993766 531738460 /nfs/dbraw/zinc/73/84/60/531738460.db2.gz LTFXONSZXQKXEW-ZBFHGGJFSA-N 0 3 399.329 2.427 10 0 GEAEHN CN(C[C@H](O)CN1CCCC1=O)CC1(c2ccc(Br)cc2)CC1 ZINC000158098202 531765062 /nfs/dbraw/zinc/76/50/62/531765062.db2.gz QKTZKDMQCONVBA-INIZCTEOSA-N 0 3 381.314 2.396 10 0 GEAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3occc3Br)CC2)nc1 ZINC000176081940 532125684 /nfs/dbraw/zinc/12/56/84/532125684.db2.gz POYJDGPRTNIEQZ-UHFFFAOYSA-N 0 3 393.285 2.461 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000176904606 532155170 /nfs/dbraw/zinc/15/51/70/532155170.db2.gz IFNUHEWQLSSWBK-OAHLLOKOSA-N 0 3 394.313 2.281 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000176906572 532155179 /nfs/dbraw/zinc/15/51/79/532155179.db2.gz BVWZKNNVILWEGJ-GFCCVEGCSA-N 0 3 398.301 2.339 10 0 GEAEHN Brc1ccccc1-n1nnnc1CN1CCN2CCCC[C@@H]2C1 ZINC000177769048 532182190 /nfs/dbraw/zinc/18/21/90/532182190.db2.gz TXPRCMRKGYGLHJ-CYBMUJFWSA-N 0 3 377.290 2.095 10 0 GEAEHN COc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)c(I)c1 ZINC000177549653 532175497 /nfs/dbraw/zinc/17/54/97/532175497.db2.gz LXWHOVNRWHAFOI-LLVKDONJSA-N 0 3 386.233 2.220 10 0 GEAEHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000178698812 532210070 /nfs/dbraw/zinc/21/00/70/532210070.db2.gz ZWDMWCRZPSUJNK-NSHDSACASA-N 0 3 396.340 2.102 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000150790981 532301847 /nfs/dbraw/zinc/30/18/47/532301847.db2.gz GLJIINJDFBZBHT-YGRLFVJLSA-N 0 3 386.265 2.372 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)NCCOCc2ccc(Cl)cc2Cl)CCO1 ZINC000181709315 532305401 /nfs/dbraw/zinc/30/54/01/532305401.db2.gz VAUFHQHVQFKMPV-HNNXBMFYSA-N 0 3 390.311 2.482 10 0 GEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000190354648 532355745 /nfs/dbraw/zinc/35/57/45/532355745.db2.gz FQSZVKMDPOLETE-HUUCEWRRSA-N 0 3 380.286 2.473 10 0 GEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000194162875 532442560 /nfs/dbraw/zinc/44/25/60/532442560.db2.gz MQDZJJFDXHZQHZ-CHWSQXEVSA-N 0 3 395.301 2.176 10 0 GEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000237042393 532502828 /nfs/dbraw/zinc/50/28/28/532502828.db2.gz GGRFSGWDZYIGDE-XHDPSFHLSA-N 0 3 397.317 2.395 10 0 GEAEHN COCCNC(=O)c1cn(C2CCN(CC[C@@H](C)c3ccc(C)o3)CC2)nn1 ZINC000012245808 221173026 /nfs/dbraw/zinc/17/30/26/221173026.db2.gz MWISPJXETGWURX-OAHLLOKOSA-N 0 3 389.500 2.386 10 0 GEAEHN COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1sccc1C)CC2)C(C)C ZINC000014880044 221317676 /nfs/dbraw/zinc/31/76/76/221317676.db2.gz DBWMWKVMCILGDY-GOSISDBHSA-N 0 3 391.541 2.166 10 0 GEAEHN COc1ccc(CN[C@@H]2[C@@H](c3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@H]2O)cn1 ZINC000072321876 222225913 /nfs/dbraw/zinc/22/59/13/222225913.db2.gz XUOCTPPMZBOXBY-JOCBIADPSA-N 0 3 382.382 2.477 10 0 GEAEHN CCCN1C[C@@H](NS(=O)(=O)N(CC)CC)C[C@@H]2Cc3c(O)cccc3C[C@H]21 ZINC000003778441 570350713 /nfs/dbraw/zinc/35/07/13/570350713.db2.gz GDFGTRDCCWFXTG-ZIFCJYIRSA-N 0 3 395.569 2.136 10 0 world GEAEHN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H]1CNC[C@H](C(=O)OC(C)(C)C)C1 ZINC000675060937 570903554 /nfs/dbraw/zinc/90/35/54/570903554.db2.gz SBDKOUYJEMEIHL-BZUAXINKSA-N 0 3 383.533 2.247 10 0 GEAEHN COCCN1CCN(CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000106107573 643223366 /nfs/dbraw/zinc/22/33/66/643223366.db2.gz QONLBGXWFUHSAP-CQSZACIVSA-N 0 3 384.318 2.430 10 0 GEAEHN CN(C)[C@@H]1CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000111606423 643342375 /nfs/dbraw/zinc/34/23/75/643342375.db2.gz KSAKXZUSEKMOGO-PEBXRYMYSA-N 0 3 387.343 2.499 10 0 GEAEHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000116900725 643475672 /nfs/dbraw/zinc/47/56/72/643475672.db2.gz NEFAHGIEQLOVSJ-JTQLQIEISA-N 0 3 386.823 2.310 10 0 GEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000116900896 643475747 /nfs/dbraw/zinc/47/57/47/643475747.db2.gz BEMBZXCJDJHZMY-LLVKDONJSA-N 0 3 397.722 2.054 10 0 GEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CCO1 ZINC000116901138 643475960 /nfs/dbraw/zinc/47/59/60/643475960.db2.gz QQVUQZRFHIWIIU-LLVKDONJSA-N 0 3 384.445 2.250 10 0 GEAEHN COCCN1CCN(Cn2ccc(=O)c3cccc(Br)c32)C[C@@H]1C ZINC000117322546 643487501 /nfs/dbraw/zinc/48/75/01/643487501.db2.gz LEUMJBCMDLYPBN-AWEZNQCLSA-N 0 3 394.313 2.374 10 0 GEAEHN CCN1CCC[C@H]1CN(C)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000177158179 644409470 /nfs/dbraw/zinc/40/94/70/644409470.db2.gz DWXVQRRMZXXYFW-ZDUSSCGKSA-N 0 3 380.286 2.352 10 0 GEAEHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000192697654 645222171 /nfs/dbraw/zinc/22/21/71/645222171.db2.gz UZWQHCGMWWVCNT-CYBMUJFWSA-N 0 3 392.924 2.334 10 0 GEAEHN C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000192930911 645231519 /nfs/dbraw/zinc/23/15/19/645231519.db2.gz HVRPVIUXYZEBJL-WFASDCNBSA-N 0 3 384.885 2.078 10 0 GEAEHN COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C[NH3+] ZINC000193291542 645262872 /nfs/dbraw/zinc/26/28/72/645262872.db2.gz XTRASLMPZPBBEK-KWQFWETISA-N 0 3 381.267 2.003 10 0 GEAEHN Cc1c(C(=O)N2CCN3CCC[C@H]3C2)nnn1-c1cccc(Br)c1 ZINC000195336504 645372183 /nfs/dbraw/zinc/37/21/83/645372183.db2.gz IOFRCXXQYPBBKH-HNNXBMFYSA-N 0 3 390.285 2.258 10 0 GEAEHN CC[C@@H]1CN(Cc2cnc3ccc(Br)cn23)CCN1C[C@H](C)O ZINC000245800318 645469782 /nfs/dbraw/zinc/46/97/82/645469782.db2.gz XSARUTITYJHDIS-DZGCQCFKSA-N 0 3 381.318 2.374 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000246333931 645480125 /nfs/dbraw/zinc/48/01/25/645480125.db2.gz GLJIINJDFBZBHT-QMTHXVAHSA-N 0 3 386.265 2.372 10 0 GEAEHN O[C@@H](COc1c(Cl)cccc1Cl)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246921557 645498290 /nfs/dbraw/zinc/49/82/90/645498290.db2.gz JADAIJOBGHJNNX-ZIAGYGMSSA-N 0 3 375.296 2.140 10 0 GEAEHN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2ccc(Br)cn2)C1 ZINC000702782780 653320444 /nfs/dbraw/zinc/32/04/44/653320444.db2.gz FOOYXZMVCONWEV-RISCZKNCSA-N 0 3 386.290 2.162 10 0 GEAEHN C[C@@H](Cc1ccccc1Br)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000152622936 531562938 /nfs/dbraw/zinc/56/29/38/531562938.db2.gz PZRVIYYHPAWOJH-ZFWWWQNUSA-N 0 3 384.318 2.352 10 0 GEAEHN CN(C(=O)c1ccncc1Br)C1CCN(CCn2cccn2)CC1 ZINC000153816968 531609425 /nfs/dbraw/zinc/60/94/25/531609425.db2.gz ALLJCLXIEGHXJM-UHFFFAOYSA-N 0 3 392.301 2.277 10 0 GEAEHN CN(C)C[C@@H]1CN(Cc2nnc(-c3ccccc3Br)o2)CCO1 ZINC000155335996 531676788 /nfs/dbraw/zinc/67/67/88/531676788.db2.gz FEEMPJMCPGNWFM-GFCCVEGCSA-N 0 3 381.274 2.262 10 0 GEAEHN COC(=O)[C@@H](C)CN(C[C@H](O)COc1cccc(Br)c1)C1CC1 ZINC000171300475 531904702 /nfs/dbraw/zinc/90/47/02/531904702.db2.gz IWVVKJYRKNIYGJ-WFASDCNBSA-N 0 3 386.286 2.462 10 0 GEAEHN O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCN2CCC[C@@H]2C1 ZINC000172349658 531947952 /nfs/dbraw/zinc/94/79/52/531947952.db2.gz GZZRPONMHPGRTD-GFCCVEGCSA-N 0 3 376.254 2.211 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CCO1 ZINC000116783451 531960489 /nfs/dbraw/zinc/96/04/89/531960489.db2.gz LKQJCVBNVLAAOJ-MRXNPFEDSA-N 0 3 393.285 2.037 10 0 GEAEHN C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cccc(Br)c1 ZINC000114167642 531955585 /nfs/dbraw/zinc/95/55/85/531955585.db2.gz XCTPIIHNKHQXLC-GXTWGEPZSA-N 0 3 382.302 2.036 10 0 GEAEHN CC[C@@H](O)CN1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000173457816 532013261 /nfs/dbraw/zinc/01/32/61/532013261.db2.gz LHNXRBIXGBERRI-MRXNPFEDSA-N 0 3 384.318 2.166 10 0 GEAEHN Cc1ccc([C@H](CN[C@H](C)C(=O)NCC(F)(F)F)N2CCOCC2)s1 ZINC000173645961 532025045 /nfs/dbraw/zinc/02/50/45/532025045.db2.gz XRWZFAHEBWFLRC-OLZOCXBDSA-N 0 3 379.448 2.086 10 0 GEAEHN COCCN1CCN(CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000124597984 532125234 /nfs/dbraw/zinc/12/52/34/532125234.db2.gz YLAMYEBLSYATLW-AWEZNQCLSA-N 0 3 384.318 2.430 10 0 GEAEHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)[C@@H]1CSCCS1 ZINC000177351412 532168830 /nfs/dbraw/zinc/16/88/30/532168830.db2.gz IEYPZIKSMBIUOQ-ROUUACIJSA-N 0 3 380.579 2.397 10 0 GEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccnc1Br ZINC000179907801 532249768 /nfs/dbraw/zinc/24/97/68/532249768.db2.gz HAYIFVCMZAJSHQ-GFCCVEGCSA-N 0 3 383.290 2.019 10 0 GEAEHN CN(C)C[C@H]1CN(Cc2cc3c(cc2Br)OCCCO3)CCO1 ZINC000182244492 532310937 /nfs/dbraw/zinc/31/09/37/532310937.db2.gz SKKARGPRMOEUBD-AWEZNQCLSA-N 0 3 385.302 2.373 10 0 GEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000182529945 532314401 /nfs/dbraw/zinc/31/44/01/532314401.db2.gz LXDFCEAHBCIGHF-LBPRGKRZSA-N 0 3 378.270 2.388 10 0 GEAEHN COc1ccc(Br)c(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000190104549 532354939 /nfs/dbraw/zinc/35/49/39/532354939.db2.gz FPJHSSCBGMXNOL-NWDGAFQWSA-N 0 3 396.285 2.091 10 0 GEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000190360306 532355699 /nfs/dbraw/zinc/35/56/99/532355699.db2.gz BQEMEPUTWOBZBD-ZIAGYGMSSA-N 0 3 395.301 2.176 10 0 GEAEHN Cc1csc(C(=O)N2CCO[C@H](CN(C)C)C2)c1I ZINC000191679233 532362341 /nfs/dbraw/zinc/36/23/41/532362341.db2.gz ABTNZALZIXLBRJ-SNVBAGLBSA-N 0 3 394.278 2.064 10 0 GEAEHN COc1cc(Br)c(CN2CCN(C[C@H](C)O)[C@H](C)C2)cc1OC ZINC000246910915 532545354 /nfs/dbraw/zinc/54/53/54/532545354.db2.gz AENXKAYPGQMWIP-OLZOCXBDSA-N 0 3 387.318 2.353 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000246626606 532542024 /nfs/dbraw/zinc/54/20/24/532542024.db2.gz SMANHJHJIGTGQL-QMTHXVAHSA-N 0 3 386.265 2.372 10 0 GEAEHN Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCOCC2)N(CC2CCCCC2)C1 ZINC000012150891 221160695 /nfs/dbraw/zinc/16/06/95/221160695.db2.gz OYHPYFRHNIUCCT-MSOLQXFVSA-N 0 3 392.569 2.394 10 0 GEAEHN O[C@H](COc1ccc(CN2CCOCC2)cc1)CN1CCc2ccccc2C1 ZINC000015075298 221330794 /nfs/dbraw/zinc/33/07/94/221330794.db2.gz MTCTZZLMLFXYRH-QFIPXVFZSA-N 0 3 382.504 2.317 10 0 GEAEHN CCN1CCC[C@H]1CNC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000015724204 221341640 /nfs/dbraw/zinc/34/16/40/221341640.db2.gz IJKSZNZWMJWHFE-SFHVURJKSA-N 0 3 381.480 2.034 10 0 GEAEHN O=C(NCCN1CCCCC1)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1 ZINC000065256194 136162030 /nfs/dbraw/zinc/16/20/30/136162030.db2.gz HWIPRUCZOYAPQW-NRFANRHFSA-N 0 3 393.535 2.448 10 0 GEAEHN COc1cccc(CN2CCc3c(cc(C(=O)NCCN4CCCC4)n3C)C2)c1 ZINC000065211016 222111670 /nfs/dbraw/zinc/11/16/70/222111670.db2.gz NGWIBXFDWPIXDD-UHFFFAOYSA-N 0 3 396.535 2.418 10 0 GEAEHN CCc1nc2c(n1C)CN(CC(=O)NC1CCN(Cc3ccccc3)CC1)CC2 ZINC000065293037 222120331 /nfs/dbraw/zinc/12/03/31/222120331.db2.gz AOQQUHHVJUQSBE-UHFFFAOYSA-N 0 3 395.551 2.121 10 0 GEAEHN COc1cc2c(cc1CN1CCC(CN3CCOCC3)CC1)OCCCO2 ZINC000077457874 222282978 /nfs/dbraw/zinc/28/29/78/222282978.db2.gz AUSNIVJSHBGGHO-UHFFFAOYSA-N 0 3 376.497 2.401 10 0 GEAEHN Cn1cc(CNC[C@@]2(COc3cccnc3)C[C@@H](O)[C@@H](O)C2)c2ccccc21 ZINC000107430326 560044906 /nfs/dbraw/zinc/04/49/06/560044906.db2.gz SIAAEAICGGTGOZ-KOUNCHBCSA-N 0 3 381.476 2.244 10 0 GEAEHN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H]1CNC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000675060943 570903725 /nfs/dbraw/zinc/90/37/25/570903725.db2.gz SBDKOUYJEMEIHL-PMPSAXMXSA-N 0 3 383.533 2.247 10 0 GEAEHN COc1ccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c(Br)c1OC ZINC000106097760 643220928 /nfs/dbraw/zinc/22/09/28/643220928.db2.gz FQWAEILEEUMTEK-QWHCGFSZSA-N 0 3 387.318 2.353 10 0 GEAEHN CN(C)C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCO1 ZINC000116900385 643475819 /nfs/dbraw/zinc/47/58/19/643475819.db2.gz XECVEOWWRNKLKS-LLVKDONJSA-N 0 3 386.823 2.310 10 0 GEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(I)cc2)CCO1 ZINC000118789179 643522444 /nfs/dbraw/zinc/52/24/44/643522444.db2.gz NTRCVIOAZNZGDR-CYBMUJFWSA-N 0 3 389.237 2.086 10 0 GEAEHN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@@H](CN(C)C)C2)ccc1Br ZINC000246374297 645481316 /nfs/dbraw/zinc/48/13/16/645481316.db2.gz OEWZUDKRRISVIK-HIFRSBDPSA-N 0 3 384.318 2.347 10 0 GEAEHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000247879035 645521398 /nfs/dbraw/zinc/52/13/98/645521398.db2.gz ZBELTGZRWMKLLQ-KGLIPLIRSA-N 0 3 384.318 2.165 10 0 GEAEHN C[C@H](NC(=O)[C@@H](N)C1CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000261860679 645606613 /nfs/dbraw/zinc/60/66/13/645606613.db2.gz SFEKQFWIHLRVQA-QFYYESIMSA-N 0 3 399.285 2.151 10 0 GEAEHN CS(=O)(=O)c1ccsc1NC(=O)C(C[C@H]1COCCO1)C(F)(F)F ZINC000606445019 651553491 /nfs/dbraw/zinc/55/34/91/651553491.db2.gz IXMZZXSRBQHASF-DTWKUNHWSA-N 0 3 387.401 2.074 10 0 GEAEHN [NH3+]C1CC(C[N-]S(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC000715109447 653324855 /nfs/dbraw/zinc/32/48/55/653324855.db2.gz LUQCOOYPBDJYJP-UHFFFAOYSA-N 0 3 398.120 2.227 10 0 GEAEHN O[C@@H](COc1ccc(Br)cc1)CN1CCC[C@H](n2cncn2)C1 ZINC000171528112 531907840 /nfs/dbraw/zinc/90/78/40/531907840.db2.gz YERMYIGXZDXSPO-LSDHHAIUSA-N 0 3 381.274 2.117 10 0 GEAEHN Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000171897870 531922979 /nfs/dbraw/zinc/92/29/79/531922979.db2.gz OWNZYGMBBJIQQC-AWEZNQCLSA-N 0 3 395.301 2.186 10 0 GEAEHN O=C(NCCc1ccc(Br)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000172338399 531947982 /nfs/dbraw/zinc/94/79/82/531947982.db2.gz KMQQJMIUFMHGOH-MRXNPFEDSA-N 0 3 384.318 2.138 10 0 GEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cncc(I)c1 ZINC000125633674 532139442 /nfs/dbraw/zinc/13/94/42/532139442.db2.gz NCKJFKQBYJNEEY-ZIAGYGMSSA-N 0 3 385.249 2.385 10 0 GEAEHN C[C@H](C(=O)Nc1ccc(I)cc1)N1CCN2CCC[C@@H]2C1 ZINC000178636188 532208569 /nfs/dbraw/zinc/20/85/69/532208569.db2.gz KVJIFJQKFFYBCM-IUODEOHRSA-N 0 3 399.276 2.398 10 0 GEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000150772725 532301584 /nfs/dbraw/zinc/30/15/84/532301584.db2.gz DPKUVKKWHNUVNA-YGRLFVJLSA-N 0 3 386.265 2.372 10 0 GEAEHN COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000150793727 532301937 /nfs/dbraw/zinc/30/19/37/532301937.db2.gz RKXUFFFCYLOXJE-NHYWBVRUSA-N 0 3 398.301 2.241 10 0 GEAEHN CN(C)C[C@@H]1CN(Cc2cc3c(cc2Br)OCCCO3)CCO1 ZINC000182244469 532311031 /nfs/dbraw/zinc/31/10/31/532311031.db2.gz SKKARGPRMOEUBD-CQSZACIVSA-N 0 3 385.302 2.373 10 0 GEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000194162734 532442295 /nfs/dbraw/zinc/44/22/95/532442295.db2.gz DCJQTFRRHODCPD-QWHCGFSZSA-N 0 3 395.301 2.176 10 0 GEAEHN CCCNC(=O)[C@H]1CCCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000250486432 532570056 /nfs/dbraw/zinc/57/00/56/532570056.db2.gz LTFXONSZXQKXEW-GOEBONIOSA-N 0 3 399.329 2.427 10 0 GEAEHN CNC(=O)Nc1c(OC)c2c(c(OC)c1OCCN1CCCCC1)OCC2 ZINC000029403311 212158023 /nfs/dbraw/zinc/15/80/23/212158023.db2.gz TVYUIAOBFBNPLB-UHFFFAOYSA-N 0 3 379.457 2.255 10 0 GEAEHN Nc1nc(C2=CCNC(=O)c3[nH]c(Br)c(Br)c32)c[nH]1 ZINC000014616994 212117773 /nfs/dbraw/zinc/11/77/73/212117773.db2.gz ZNIBKSGUBSYKLY-UHFFFAOYSA-N 0 3 387.035 2.020 10 0 GEAEHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3csnn3)C2)cc1OC ZINC000011817581 221127306 /nfs/dbraw/zinc/12/73/06/221127306.db2.gz FRTMRXJXPFUAEV-HNNXBMFYSA-N 0 3 390.509 2.334 10 0 GEAEHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3csnn3)C2)cc1OC ZINC000011817580 221127647 /nfs/dbraw/zinc/12/76/47/221127647.db2.gz FRTMRXJXPFUAEV-OAHLLOKOSA-N 0 3 390.509 2.334 10 0 GEAEHN CC(C)(C)OC(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C[C@@H]2O)CC1 ZINC000095087015 222331040 /nfs/dbraw/zinc/33/10/40/222331040.db2.gz BOOKXOSCMXJXOR-OALUTQOASA-N 0 3 375.513 2.175 10 0 GEAEHN Cc1ccc([C@@H]2CN(C(=O)c3ccc(-n4cnnc4)nc3)C[C@H]2N(C)C)cc1 ZINC000095502139 222336904 /nfs/dbraw/zinc/33/69/04/222336904.db2.gz KPHHRFWLDBABGP-RBUKOAKNSA-N 0 3 376.464 2.141 10 0 GEAEHN O=C(CC[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1)N1CCOCC1 ZINC000095522689 222349056 /nfs/dbraw/zinc/34/90/56/222349056.db2.gz PLTJHGZABGJXID-KRWDZBQOSA-N 0 3 383.492 2.379 10 0 GEAEHN COc1ccc(CN(CCN2CCOCC2)C[C@H](O)Cc2ccccc2)cc1 ZINC000036102060 570539119 /nfs/dbraw/zinc/53/91/19/570539119.db2.gz ZLQKFBRJVXUUBA-JOCHJYFZSA-N 0 3 384.520 2.433 10 0 GEAEHN CCCN1C[C@H](NS(=O)(=O)N(CC)CC)C[C@H]2Cc3c(O)cccc3C[C@@H]21 ZINC000005647774 570897885 /nfs/dbraw/zinc/89/78/85/570897885.db2.gz GDFGTRDCCWFXTG-SCTDSRPQSA-N 0 3 395.569 2.136 10 0 in-vivo GEAEHN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000113305551 643394175 /nfs/dbraw/zinc/39/41/75/643394175.db2.gz MINXSDYZICPDOO-CHWSQXEVSA-N 0 3 375.897 2.324 10 0 GEAEHN C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccccc1Br ZINC000114161071 643408768 /nfs/dbraw/zinc/40/87/68/643408768.db2.gz AUIIPRWACFOFLO-QWHCGFSZSA-N 0 3 382.302 2.036 10 0 GEAEHN Cn1cc([C@H]2CCN(C[C@H](O)COc3ccc(Br)cc3)C2)cn1 ZINC000116318108 643457061 /nfs/dbraw/zinc/45/70/61/643457061.db2.gz IGZVLNIQVSUTNQ-BBRMVZONSA-N 0 3 380.286 2.412 10 0 GEAEHN CN(C)C[C@H]1CN(C(=O)CCCOc2ccccc2Br)CCO1 ZINC000116787543 643469004 /nfs/dbraw/zinc/46/90/04/643469004.db2.gz ZJLKTGOZSGIIJV-AWEZNQCLSA-N 0 3 385.302 2.397 10 0 GEAEHN C[N@H+](CCC[N-]C(=O)C(F)(F)F)C[C@H](c1cccs1)N1CCOCC1 ZINC000154815257 644060368 /nfs/dbraw/zinc/06/03/68/644060368.db2.gz PGTCLYCKCOFLPU-CYBMUJFWSA-N 0 3 379.448 2.122 10 0 GEAEHN C[N@@H+](CCC[N-]C(=O)C(F)(F)F)C[C@H](c1cccs1)N1CCOCC1 ZINC000154815257 644060371 /nfs/dbraw/zinc/06/03/71/644060371.db2.gz PGTCLYCKCOFLPU-CYBMUJFWSA-N 0 3 379.448 2.122 10 0 GEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000193421216 645271300 /nfs/dbraw/zinc/27/13/00/645271300.db2.gz QZHMWMVKCGJYCX-GFCCVEGCSA-N 0 3 383.290 2.034 10 0 GEAEHN CCN1CCC[C@H](NC(=O)COc2cccc(I)c2)C1 ZINC000194579127 645335514 /nfs/dbraw/zinc/33/55/14/645335514.db2.gz LUWOYLVESASGLF-ZDUSSCGKSA-N 0 3 388.249 2.271 10 0 GEAEHN CN(C)[C@@H](CNC(=O)c1nn2c(c1Br)OCCC2)c1ccccc1 ZINC000223790568 645387664 /nfs/dbraw/zinc/38/76/64/645387664.db2.gz XXWVJSLOQQRWOY-ZDUSSCGKSA-N 0 3 393.285 2.461 10 0 GEAEHN C[C@@H]1CN2CCC[C@H]2CN1CN1c2ccc(Br)cc2C(=O)C1=O ZINC000247059641 645503062 /nfs/dbraw/zinc/50/30/62/645503062.db2.gz LVIVAIZFUBVIFW-YPMHNXCESA-N 0 3 378.270 2.104 10 0 GEAEHN COc1c(Br)cc(Br)cc1CN[C@H]1CCOC[C@@H]1O ZINC000623764643 652259415 /nfs/dbraw/zinc/25/94/15/652259415.db2.gz IBZVPRDETBUUKH-RYUDHWBXSA-N 0 3 395.091 2.460 10 0 GEAEHN CN(C)C[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1 ZINC000007817159 531543183 /nfs/dbraw/zinc/54/31/83/531543183.db2.gz HVWJETBJBOKBJO-ZDUSSCGKSA-N 0 3 394.269 2.191 10 0 GEAEHN C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCO[C@H](CN(C)C)C1 ZINC000155320219 531675032 /nfs/dbraw/zinc/67/50/32/531675032.db2.gz DFSMIAZSXPMRJB-RHSMWYFYSA-N 0 3 398.345 2.058 10 0 GEAEHN C[C@H](NC[C@@H](c1cccs1)N1CCO[C@H](C)C1)C(=O)NCC(F)(F)F ZINC000173646897 532024641 /nfs/dbraw/zinc/02/46/41/532024641.db2.gz YZVZXRSLSFOKPE-AGIUHOORSA-N 0 3 379.448 2.167 10 0 GEAEHN C[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1N1CCOCC1 ZINC000177266914 532167912 /nfs/dbraw/zinc/16/79/12/532167912.db2.gz ZROZOSRRTWGXJT-KMFMINBZSA-N 0 3 389.323 2.386 10 0 GEAEHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)[C@H]1CSCCS1 ZINC000177351442 532168609 /nfs/dbraw/zinc/16/86/09/532168609.db2.gz IEYPZIKSMBIUOQ-ZWKOTPCHSA-N 0 3 380.579 2.397 10 0 GEAEHN CN(C)C[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCCO3)CCO1 ZINC000128195039 532162542 /nfs/dbraw/zinc/16/25/42/532162542.db2.gz PXXIOCMOKOYOPS-CQSZACIVSA-N 0 3 385.302 2.373 10 0 GEAEHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000178581256 532206268 /nfs/dbraw/zinc/20/62/68/532206268.db2.gz YQPFZBNZJAYALT-UKRRQHHQSA-N 0 3 386.286 2.464 10 0 GEAEHN Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000179513461 532233815 /nfs/dbraw/zinc/23/38/15/532233815.db2.gz FKQIZOASAVDQGM-LBPRGKRZSA-N 0 3 385.306 2.184 10 0 GEAEHN O=C(NCCCO)c1cn([C@@H]2CCCN(Cc3cccc4ccccc43)C2)nn1 ZINC000011786919 221125136 /nfs/dbraw/zinc/12/51/36/221125136.db2.gz NUFUIFXWMVSQOP-LJQANCHMSA-N 0 3 393.491 2.381 10 0 GEAEHN CCn1cc(CNCc2ccc(OC)c(OC[C@H](O)CN3CCCC3)c2)cn1 ZINC000012595855 221212557 /nfs/dbraw/zinc/21/25/57/221212557.db2.gz HSNUNOQGAGJERQ-LJQANCHMSA-N 0 3 388.512 2.037 10 0 GEAEHN CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccsc1)C2 ZINC000014747745 221316331 /nfs/dbraw/zinc/31/63/31/221316331.db2.gz RDJZINAGNFRWSE-INIZCTEOSA-N 0 3 388.537 2.474 10 0 GEAEHN Cc1c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)sc(=O)n1C ZINC000058650237 136155477 /nfs/dbraw/zinc/15/54/77/136155477.db2.gz CGGMDMYBCWDOLZ-UHFFFAOYSA-N 0 3 382.493 2.365 10 0 GEAEHN CCCCN1c2cccnc2S[C@@H](CC(=O)N2CCCN(C)CC2)C1=O ZINC000065172282 136159850 /nfs/dbraw/zinc/15/98/50/136159850.db2.gz RPLWLVQDRWSCKV-INIZCTEOSA-N 0 3 376.526 2.243 10 0 GEAEHN COCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(N3CC[NH2+]CC3)c2)c1 ZINC000095571900 136182241 /nfs/dbraw/zinc/18/22/41/136182241.db2.gz XEWJSSOUGIQHGB-UHFFFAOYSA-N 0 3 391.493 2.052 10 0 GEAEHN NC(=O)c1ccc(-c2nc3c(c(NC4Cc5ccccc5C4)n2)CCNC3)cc1 ZINC000071776568 222197958 /nfs/dbraw/zinc/19/79/58/222197958.db2.gz OEIQDDRNOMWBEE-UHFFFAOYSA-N 0 3 385.471 2.468 10 0 GEAEHN CN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)c1cnn(C)c1 ZINC000095528391 222352457 /nfs/dbraw/zinc/35/24/57/222352457.db2.gz OLCDRUQHUGOSQF-QGZVFWFLSA-N 0 3 394.516 2.134 10 0 GEAEHN CN(C)CCNC(=O)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000065211686 535890668 /nfs/dbraw/zinc/89/06/68/535890668.db2.gz OWSRJXMKTQTCPS-UHFFFAOYSA-N 0 3 393.944 2.415 10 0 GEAEHN O=C(Nc1cccc(F)c1)N1NN=C2C(=O)N(Cc3cccc(F)c3)C(=O)C21 ZINC000102926287 570870613 /nfs/dbraw/zinc/87/06/13/570870613.db2.gz XMAIBWFIJXKJNA-LSDHHAIUSA-N 0 3 385.330 2.486 10 0 GEAEHN FC(F)(F)c1cn2c(n1)CC[C@H](CNCc1cn(Cc3cccnc3)nn1)C2 ZINC000548021017 570904562 /nfs/dbraw/zinc/90/45/62/570904562.db2.gz TTZZMDBMKHKABT-CQSZACIVSA-N 0 3 391.401 2.289 10 0 GEAEHN Cc1cnn(CCN[C@@H](C)C(=O)Nc2ccc(I)cc2)c1 ZINC000112552190 643365100 /nfs/dbraw/zinc/36/51/00/643365100.db2.gz MPJLFORCMHMKQR-LBPRGKRZSA-N 0 3 398.248 2.413 10 0 GEAEHN CN(C(=O)CSCc1cscn1)C1CCN(CCn2cccn2)CC1 ZINC000130364394 643836664 /nfs/dbraw/zinc/83/66/64/643836664.db2.gz VMISJCKBEMRFNO-UHFFFAOYSA-N 0 3 379.555 2.196 10 0 GEAEHN CCN1CCC[C@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000130601792 643844741 /nfs/dbraw/zinc/84/47/41/643844741.db2.gz GWJPSPBMTZNBKE-ZDUSSCGKSA-N 0 3 378.274 2.244 10 0 GEAEHN C[C@@H]1CN2CCC[C@@H]2CN1CN1c2ccc(Br)cc2C(=O)C1=O ZINC000153212583 643981072 /nfs/dbraw/zinc/98/10/72/643981072.db2.gz LVIVAIZFUBVIFW-DGCLKSJQSA-N 0 3 378.270 2.104 10 0 GEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000193421242 645271446 /nfs/dbraw/zinc/27/14/46/645271446.db2.gz QZHMWMVKCGJYCX-LBPRGKRZSA-N 0 3 383.290 2.034 10 0 GEAEHN COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCC[NH2+][C@H]1C ZINC000193464568 645276016 /nfs/dbraw/zinc/27/60/16/645276016.db2.gz WOFKOIIIUQLOBC-KWQFWETISA-N 0 3 381.267 2.016 10 0 GEAEHN CCN1CCC[C@H](NC(=O)NCC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000194548897 645333111 /nfs/dbraw/zinc/33/31/11/645333111.db2.gz WMLFNJCTVUQHLW-AWEZNQCLSA-N 0 3 397.317 2.480 10 0 GEAEHN CN(C)[C@H](CNC(=O)c1nn2c(c1Br)OCCC2)c1ccccc1 ZINC000223790626 645387689 /nfs/dbraw/zinc/38/76/89/645387689.db2.gz XXWVJSLOQQRWOY-CYBMUJFWSA-N 0 3 393.285 2.461 10 0 GEAEHN COc1ccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c(Br)c1OC ZINC000247557323 645513343 /nfs/dbraw/zinc/51/33/43/645513343.db2.gz FQWAEILEEUMTEK-STQMWFEESA-N 0 3 387.318 2.353 10 0 GEAEHN COc1ccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c(Br)c1OC ZINC000247557317 645513565 /nfs/dbraw/zinc/51/35/65/645513565.db2.gz FQWAEILEEUMTEK-OLZOCXBDSA-N 0 3 387.318 2.353 10 0 GEAEHN CC[C@@H]1CN(C(=O)[C@@](C)(N)c2ccc(Br)cc2)CCN1CCOC ZINC000261877308 645607952 /nfs/dbraw/zinc/60/79/52/645607952.db2.gz YNVABMWIWBIAQY-AEFFLSMTSA-N 0 3 398.345 2.192 10 0 GEAEHN