smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCCN(C(=O)NCc2ccccc2-n2ccc(C)n2)CC1 ZINC000160010180 539519787 /nfs/dbraw/zinc/51/97/87/539519787.db2.gz YZSOKGJFBNNYOQ-UHFFFAOYSA-N 0 3 341.459 2.418 10 70 EEIEHN COC(=O)[C@H]1CCCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000159585302 284329543 /nfs/dbraw/zinc/32/95/43/284329543.db2.gz FDOVLYQOZBSRNE-RDJZCZTQSA-N 0 3 347.459 2.102 10 70 EEIEHN CC(C)CN1CCC[C@@H]1CNC(=O)CSCC(=O)OC(C)(C)C ZINC000160403083 311354001 /nfs/dbraw/zinc/35/40/01/311354001.db2.gz NRNVEMNWNYTQOP-CQSZACIVSA-N 0 3 344.521 2.298 10 70 EEIEHN CN(C)C[C@H]1CN(CCc2cccc(OC(F)(F)F)c2)CCO1 ZINC000160015865 463313696 /nfs/dbraw/zinc/31/36/96/463313696.db2.gz GHKYHONHIVCOBV-HNNXBMFYSA-N 0 3 332.366 2.390 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(-n2cccc2)cc1 ZINC000160694115 463363781 /nfs/dbraw/zinc/36/37/81/463363781.db2.gz HRXUDHZZSZPWRW-SFHVURJKSA-N 0 3 327.428 2.054 10 70 EEIEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cc(C(=O)OC)cs1 ZINC000160872456 311359730 /nfs/dbraw/zinc/35/97/30/311359730.db2.gz YQSXSRHGULCKQQ-LBPRGKRZSA-N 0 3 325.434 2.483 10 70 EEIEHN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)N2CCc3ccccc3C2)n[nH]1 ZINC000161161294 311362815 /nfs/dbraw/zinc/36/28/15/311362815.db2.gz QLXHUDQPPZQNPW-DZGCQCFKSA-N 0 3 326.444 2.212 10 70 EEIEHN Cn1ncc2c1CCC[C@H]2NCc1ccc(CN2CCOCC2)cc1 ZINC000160634648 463357957 /nfs/dbraw/zinc/35/79/57/463357957.db2.gz PBYYRIXLEUMZSN-LJQANCHMSA-N 0 3 340.471 2.420 10 70 EEIEHN CN(C)Cc1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)cc1 ZINC000161459562 463432529 /nfs/dbraw/zinc/43/25/29/463432529.db2.gz BSEWJIPQFIYOSW-UHFFFAOYSA-N 0 3 335.411 2.259 10 70 EEIEHN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c2ccccc21 ZINC000159514697 206249330 /nfs/dbraw/zinc/24/93/30/206249330.db2.gz NSLIPMNZTQSYFP-RKVPGOIHSA-N 0 3 343.471 2.151 10 70 EEIEHN C[C@@H](NC(C)(C)CNC(=O)N[C@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000159868404 206266422 /nfs/dbraw/zinc/26/64/22/206266422.db2.gz CVLQXDLALDEPAV-ZBFHGGJFSA-N 0 3 346.475 2.036 10 70 EEIEHN C[C@H](C(=O)NCCc1cccs1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161045564 206325096 /nfs/dbraw/zinc/32/50/96/206325096.db2.gz XGTKYOAUDBTHLA-IIDMSEBBSA-N 0 3 336.501 2.422 10 70 EEIEHN O=C(NCCN1CCCCC1)c1cc(N2CCCC2=O)ccc1F ZINC000160568727 463350035 /nfs/dbraw/zinc/35/00/35/463350035.db2.gz IEXQDAXZRJPSBB-UHFFFAOYSA-N 0 3 333.407 2.168 10 70 EEIEHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CCN1C ZINC000160637516 463357715 /nfs/dbraw/zinc/35/77/15/463357715.db2.gz NDYXPDRKHVXZHL-CJNGLKHVSA-N 0 3 342.447 2.429 10 70 EEIEHN Cc1cccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1[O-] ZINC000159588650 539516934 /nfs/dbraw/zinc/51/69/34/539516934.db2.gz JKRAXIOPUOLOAR-MRXNPFEDSA-N 0 3 332.444 2.418 10 70 EEIEHN CC(C)COc1ccc(CC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160489165 206301059 /nfs/dbraw/zinc/30/10/59/206301059.db2.gz NBIBZPMKVQGUPP-SFHVURJKSA-N 0 3 348.487 2.227 10 70 EEIEHN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000161305105 311364134 /nfs/dbraw/zinc/36/41/34/311364134.db2.gz XRAWLWVMLQCVQX-KKUMJFAQSA-N 0 3 341.496 2.381 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cccc(-n2cccc2)c1 ZINC000159953203 534626453 /nfs/dbraw/zinc/62/64/53/534626453.db2.gz ZVRLZZUBBOCIQY-SFHVURJKSA-N 0 3 327.428 2.054 10 70 EEIEHN CCN1CCCN(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000159996337 539519672 /nfs/dbraw/zinc/51/96/72/539519672.db2.gz QVHZBSURLDWAPS-OAHLLOKOSA-N 0 3 342.447 2.066 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000160611602 206306798 /nfs/dbraw/zinc/30/67/98/206306798.db2.gz NUIFSLOYNDXQGS-ZDUSSCGKSA-N 0 3 346.349 2.162 10 70 EEIEHN Cc1cccc([C@@H]2CCCN2C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000159924339 281253030 /nfs/dbraw/zinc/25/30/30/281253030.db2.gz LCLRQJBXHHBXJK-RDJZCZTQSA-N 0 3 337.489 2.199 10 70 EEIEHN CCN(C(=O)NCc1noc(C)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000160379088 463332692 /nfs/dbraw/zinc/33/26/92/463332692.db2.gz CGZVQAMDKJMISU-MRXNPFEDSA-N 0 3 343.431 2.184 10 70 EEIEHN O=C(CCCCC(=O)c1ccccc1)NC[C@@H](O)CN1CCCCC1 ZINC000160440659 463338327 /nfs/dbraw/zinc/33/83/27/463338327.db2.gz UJNKNAJPMSIFNY-GOSISDBHSA-N 0 3 346.471 2.393 10 70 EEIEHN Cc1ccc(OCCCC(=O)NC[C@H](O)CN2CCCCC2)c(C)c1 ZINC000160104579 237232703 /nfs/dbraw/zinc/23/27/03/237232703.db2.gz GVHFMFKQCBFRRI-SFHVURJKSA-N 0 3 348.487 2.425 10 70 EEIEHN CC[C@@H](C)Oc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160360564 206292307 /nfs/dbraw/zinc/29/23/07/206292307.db2.gz ABKXUTADSXNCAD-WBVHZDCISA-N 0 3 334.460 2.441 10 70 EEIEHN CC(C)[C@@H](O)CC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000160082549 311349778 /nfs/dbraw/zinc/34/97/78/311349778.db2.gz NBYFFSWGTFQUTP-WMZOPIPTSA-N 0 3 348.487 2.410 10 70 EEIEHN CC(C)COc1ccc([C@@H](C)NC(=O)C(C)S(C)(=O)=O)cc1 ZINC000159867774 206267635 /nfs/dbraw/zinc/26/76/35/206267635.db2.gz WQWMROYKIOAYFD-OLZOCXBDSA-N 0 3 327.446 2.332 10 70 EEIEHN COc1ccc(S(=O)(=O)NC[C@H]2CCCN2CC(C)C)cc1 ZINC000160310999 533063905 /nfs/dbraw/zinc/06/39/05/533063905.db2.gz QVOGOTJLNYXLBI-CQSZACIVSA-N 0 3 326.462 2.094 10 70 EEIEHN O=C(Cc1ccc(Cl)cc1Cl)NC[C@H](O)CN1CCCCC1 ZINC000160335996 273985052 /nfs/dbraw/zinc/98/50/52/273985052.db2.gz LXESGGPRNCUESF-AWEZNQCLSA-N 0 3 345.270 2.499 10 70 EEIEHN CN(C)Cc1cccc(NC(=O)c2cc(S(C)(=O)=O)cs2)c1 ZINC000160112044 311350095 /nfs/dbraw/zinc/35/00/95/311350095.db2.gz WEZYDYHJWMRKMX-UHFFFAOYSA-N 0 3 338.454 2.466 10 70 EEIEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000160398009 463335079 /nfs/dbraw/zinc/33/50/79/463335079.db2.gz QQAARLDABIDAJI-NVXWUHKLSA-N 0 3 333.432 2.460 10 70 EEIEHN C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC[C@@H]2O)CN1Cc1ccccc1 ZINC000160404887 539521383 /nfs/dbraw/zinc/52/13/83/539521383.db2.gz LUPQOZLVRVRZBE-BVBHFADKSA-N 0 3 345.487 2.500 10 70 EEIEHN Cc1ccc(-c2cc(C(=O)NC[C@H](O)CN3CCCCC3)on2)cc1 ZINC000159918919 225301209 /nfs/dbraw/zinc/30/12/09/225301209.db2.gz SGACXEPDZINSQZ-INIZCTEOSA-N 0 3 343.427 2.227 10 70 EEIEHN Cc1cc(F)cc2[nH]c(C(=O)NC[C@@H](O)CN3CCCCC3)cc21 ZINC000160261668 225373617 /nfs/dbraw/zinc/37/36/17/225373617.db2.gz OHQCGQIDUWOWSK-CQSZACIVSA-N 0 3 333.407 2.192 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)C1(c2cccc(F)c2)CCC1 ZINC000160167336 225352902 /nfs/dbraw/zinc/35/29/02/225352902.db2.gz NFEXXXBBROBTCL-KRWDZBQOSA-N 0 3 334.435 2.210 10 70 EEIEHN CCOc1c(OC)cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159670084 463298784 /nfs/dbraw/zinc/29/87/84/463298784.db2.gz GKAYQISKFPGZOT-JSGCOSHPSA-N 0 3 336.432 2.188 10 70 EEIEHN C[C@@H]1C[C@H](NC(=O)N2CCC(C3CCOCC3)CC2)CN1C1CC1 ZINC000160002909 463314967 /nfs/dbraw/zinc/31/49/67/463314967.db2.gz YJUQTIDUSQQTGE-PBHICJAKSA-N 0 3 335.492 2.460 10 70 EEIEHN COc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1NC(C)=O ZINC000160502174 463344719 /nfs/dbraw/zinc/34/47/19/463344719.db2.gz UNWMMTRFJDOTSN-ABAIWWIYSA-N 0 3 343.431 2.219 10 70 EEIEHN CSCc1cc(C(=O)NC[C@H](O)CN2CCCCC2)ccc1F ZINC000160235963 533831346 /nfs/dbraw/zinc/83/13/46/533831346.db2.gz SPBKENDIBPFXRC-HNNXBMFYSA-N 0 3 340.464 2.265 10 70 EEIEHN CCN(CC)[C@@H](C(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000160269753 528225138 /nfs/dbraw/zinc/22/51/38/528225138.db2.gz FCUABZHLCZRCKZ-RBUKOAKNSA-N 0 3 347.503 2.033 10 70 EEIEHN CN(C)C[C@@H](NC(=O)c1cccc(-n2ccnn2)c1)c1ccccc1 ZINC000160546813 539522421 /nfs/dbraw/zinc/52/24/21/539522421.db2.gz SXUBIZZGRSVCCC-GOSISDBHSA-N 0 3 335.411 2.300 10 70 EEIEHN COc1ccccc1[C@H](C)CC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160299641 533001442 /nfs/dbraw/zinc/00/14/42/533001442.db2.gz YMYMXYHXHJKCIP-CVEARBPZSA-N 0 3 334.460 2.152 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000159910098 225299583 /nfs/dbraw/zinc/29/95/83/225299583.db2.gz WPFSYNVMIZULBQ-CFVMTHIKSA-N 0 3 338.398 2.031 10 70 EEIEHN CCC[C@H](C(=O)N1CCN(c2ccc(F)cc2OC)CC1)N(C)C ZINC000159717154 311344946 /nfs/dbraw/zinc/34/49/46/311344946.db2.gz RDGLPUXDDKNRKH-MRXNPFEDSA-N 0 3 337.439 2.213 10 70 EEIEHN COC(=O)c1csc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000161133103 311362832 /nfs/dbraw/zinc/36/28/32/311362832.db2.gz LRTHLUSAKXXHLD-CMPLNLGQSA-N 0 3 325.434 2.481 10 70 EEIEHN O=C(CSc1ccc(Cl)cc1)NC[C@H](O)CN1CCCCC1 ZINC000160256392 534670533 /nfs/dbraw/zinc/67/05/33/534670533.db2.gz FRRZHSUHAXPSIR-AWEZNQCLSA-N 0 3 342.892 2.395 10 70 EEIEHN CCC[C@H](C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1)N(C)C ZINC000160272905 527973512 /nfs/dbraw/zinc/97/35/12/527973512.db2.gz PQUIQQPQVMXNJQ-OAHLLOKOSA-N 0 3 338.883 2.110 10 70 EEIEHN O=C(Cn1ccc2ccc(Cl)cc21)NC[C@H](O)CN1CCCCC1 ZINC000159938836 225306676 /nfs/dbraw/zinc/30/66/76/225306676.db2.gz FOCFYCOZKWYIRQ-INIZCTEOSA-N 0 3 349.862 2.258 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000160028299 225323703 /nfs/dbraw/zinc/32/37/03/225323703.db2.gz UZTYYHYPONFZAF-LBPRGKRZSA-N 0 3 348.340 2.421 10 70 EEIEHN CC[C@H](C(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)N(C)C ZINC000159509078 463289715 /nfs/dbraw/zinc/28/97/15/463289715.db2.gz HBTHDANLZFZJAP-LLVKDONJSA-N 0 3 332.370 2.475 10 70 EEIEHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cnn(-c3ccccn3)c1C)CC2 ZINC000160357101 463331792 /nfs/dbraw/zinc/33/17/92/463331792.db2.gz ZQWLZADZTJEJII-WFASDCNBSA-N 0 3 337.431 2.141 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1csc(-c2ccccc2)n1 ZINC000160547446 463349137 /nfs/dbraw/zinc/34/91/37/463349137.db2.gz WYVMGVAYTHEZNG-HNNXBMFYSA-N 0 3 345.468 2.387 10 70 EEIEHN CCc1[nH]c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c(C)c1C(=O)OC ZINC000161093369 463398822 /nfs/dbraw/zinc/39/88/22/463398822.db2.gz VVTCXAYXUHJHNP-FZMZJTMJSA-N 0 3 335.448 2.131 10 70 EEIEHN Cc1cccc(-n2cc(C(=O)N[C@@H](CC(C)C)CN(C)C)nn2)c1 ZINC000161229944 463411286 /nfs/dbraw/zinc/41/12/86/463411286.db2.gz QWGHZOSWMZHUED-HNNXBMFYSA-N 0 3 329.448 2.282 10 70 EEIEHN CCn1cnnc1[C@H]1CCCN(Cc2ccc(C(=O)OC)cc2)C1 ZINC000161284185 463415827 /nfs/dbraw/zinc/41/58/27/463415827.db2.gz HOPXITNAYZWRSW-INIZCTEOSA-N 0 3 328.416 2.464 10 70 EEIEHN CSCc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)ccc1F ZINC000160236105 533831455 /nfs/dbraw/zinc/83/14/55/533831455.db2.gz SPBKENDIBPFXRC-OAHLLOKOSA-N 0 3 340.464 2.265 10 70 EEIEHN CC(C)(C)n1nc(C(=O)NC[C@H](O)CN2CCCCC2)cc1C1CC1 ZINC000159920876 526936581 /nfs/dbraw/zinc/93/65/81/526936581.db2.gz PDBSEHJIPXYXFA-HNNXBMFYSA-N 0 3 348.491 2.092 10 70 EEIEHN C[C@H](NC(=O)CN1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000161400940 539526695 /nfs/dbraw/zinc/52/66/95/539526695.db2.gz AIHUNGXQXVAGLF-HNNXBMFYSA-N 0 3 342.418 2.220 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc2ccc(Cl)cc2n1 ZINC000159981549 225313147 /nfs/dbraw/zinc/31/31/47/225313147.db2.gz UMNAXHBWDRGINM-HNNXBMFYSA-N 0 3 347.846 2.465 10 70 EEIEHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@@](C)(O)CCC(C)C)c1 ZINC000159391082 463284960 /nfs/dbraw/zinc/28/49/60/463284960.db2.gz WJZANPJUIXXRKA-YOEHRIQHSA-N 0 3 342.505 2.433 10 70 EEIEHN Cc1cc(C(=O)NC[C@H](O)CN2CCCCC2)c(Cl)cc1F ZINC000160334658 463328412 /nfs/dbraw/zinc/32/84/12/463328412.db2.gz SORCGEQUKQMAPC-LBPRGKRZSA-N 0 3 328.815 2.364 10 70 EEIEHN Cn1cnc2cc(C(=O)N3CCC[C@H]3CN3CCCCC3)cnc21 ZINC000160354850 463330269 /nfs/dbraw/zinc/33/02/69/463330269.db2.gz QQLWHVXTBHQNAZ-HNNXBMFYSA-N 0 3 327.432 2.059 10 70 EEIEHN CCC[C@H](C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)N(C)C ZINC000160372878 463331466 /nfs/dbraw/zinc/33/14/66/463331466.db2.gz TXJUCFVOKNXBNW-CGTJXYLNSA-N 0 3 332.492 2.139 10 70 EEIEHN O=C(NC1CCN(C2CC2)CC1)N1CCO[C@@H](c2ccsc2)C1 ZINC000159733222 225268356 /nfs/dbraw/zinc/26/83/56/225268356.db2.gz WNDCPRSWYCKALY-MRXNPFEDSA-N 0 3 335.473 2.458 10 70 EEIEHN C[C@H](O)C(C)(C)NCc1cc(Br)c2c(c1)OCCO2 ZINC000161125207 463402557 /nfs/dbraw/zinc/40/25/57/463402557.db2.gz LRPXWTBRSFWYPA-VIFPVBQESA-N 0 3 330.222 2.469 10 70 EEIEHN CCN1CCCN(C(=O)NC2CCN(c3ccccc3)CC2)CC1 ZINC000159734612 529022336 /nfs/dbraw/zinc/02/23/36/529022336.db2.gz WVRVGPXXGFVSGW-UHFFFAOYSA-N 0 3 330.476 2.393 10 70 EEIEHN O=C(CCOc1ccc(Cl)cc1)NC[C@H](O)CN1CCCCC1 ZINC000160145336 225348017 /nfs/dbraw/zinc/34/80/17/225348017.db2.gz DHCZWAUFJRRROL-HNNXBMFYSA-N 0 3 340.851 2.072 10 70 EEIEHN CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)CCO1 ZINC000160461391 225420677 /nfs/dbraw/zinc/42/06/77/225420677.db2.gz LUMDZUFECAQVEF-QRVBRYPASA-N 0 3 345.487 2.370 10 70 EEIEHN C[C@H](CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N(C)C1CC1 ZINC000161310839 279343813 /nfs/dbraw/zinc/34/38/13/279343813.db2.gz RAEFHYQFHKKBSQ-ZJUUUORDSA-N 0 3 344.381 2.132 10 70 EEIEHN C[C@H]1CCCCN1CCNC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160495567 311354820 /nfs/dbraw/zinc/35/48/20/311354820.db2.gz TXBOFQOXTISFQY-HNNXBMFYSA-N 0 3 341.455 2.451 10 70 EEIEHN O=C(CCOc1cccc(Cl)c1)NC[C@H](O)CN1CCCCC1 ZINC000160216094 463323558 /nfs/dbraw/zinc/32/35/58/463323558.db2.gz BUGIXHIOZPHRKY-HNNXBMFYSA-N 0 3 340.851 2.072 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000160234735 463324295 /nfs/dbraw/zinc/32/42/95/463324295.db2.gz ZLOUIIOZXPYUMP-DSKINZAPSA-N 0 3 342.483 2.244 10 70 EEIEHN C[C@@H](CCc1cccc(F)c1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160413943 463335926 /nfs/dbraw/zinc/33/59/26/463335926.db2.gz ORPSZGZHCANJEH-YJBOKZPZSA-N 0 3 336.451 2.357 10 70 EEIEHN C[C@H](NC(C)(C)CNC(=O)N[C@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000159868258 533784854 /nfs/dbraw/zinc/78/48/54/533784854.db2.gz CVLQXDLALDEPAV-HOCLYGCPSA-N 0 3 346.475 2.036 10 70 EEIEHN CCN1CCCN(C(=O)N[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000159830563 529029395 /nfs/dbraw/zinc/02/93/95/529029395.db2.gz HQPOLZVBHVUCOK-HNNXBMFYSA-N 0 3 349.475 2.372 10 70 EEIEHN CN(CCN1CCC[C@@H]1CN1CCOCC1)Cc1ccc(F)cc1 ZINC000159833602 463306584 /nfs/dbraw/zinc/30/65/84/463306584.db2.gz FBTRVWXTIDGNJL-LJQANCHMSA-N 0 3 335.467 2.054 10 70 EEIEHN Cc1cc(OCC(=O)NC[C@H](O)CN2CCCCC2)ccc1C(C)C ZINC000160338374 463330832 /nfs/dbraw/zinc/33/08/32/463330832.db2.gz XWQIZSFUMDGVHV-KRWDZBQOSA-N 0 3 348.487 2.460 10 70 EEIEHN O=C(CCOc1ccccc1Cl)NC[C@H](O)CN1CCCCC1 ZINC000160423727 463337682 /nfs/dbraw/zinc/33/76/82/463337682.db2.gz OZSQXHMOYVRDGW-AWEZNQCLSA-N 0 3 340.851 2.072 10 70 EEIEHN CC(C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160468151 463341714 /nfs/dbraw/zinc/34/17/14/463341714.db2.gz JPXCHNSGXGDOLF-RBUKOAKNSA-N 0 3 332.488 2.464 10 70 EEIEHN Cc1cnn(Cc2cc(C(=O)NC[C@H]3CCCN3CC(C)C)no2)c1 ZINC000161478770 463433743 /nfs/dbraw/zinc/43/37/43/463433743.db2.gz GMCCRDAGNWEFBO-OAHLLOKOSA-N 0 3 345.447 2.078 10 70 EEIEHN O=C(CSc1ccc2c(c1)CCC2)NC[C@@H](O)CN1CCCCC1 ZINC000159952782 534674140 /nfs/dbraw/zinc/67/41/40/534674140.db2.gz IYEAWDSGHPJZKK-QGZVFWFLSA-N 0 3 348.512 2.230 10 70 EEIEHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCO[C@@H](c2cccs2)C1 ZINC000161109194 539525142 /nfs/dbraw/zinc/52/51/42/539525142.db2.gz CYIKKLGMIXGARY-HUUCEWRRSA-N 0 3 335.473 2.315 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160563602 463350644 /nfs/dbraw/zinc/35/06/44/463350644.db2.gz KVBCLDYJTHNRIS-RRFJBIMHSA-N 0 3 338.398 2.031 10 70 EEIEHN CC(C)N1C[C@H](NC(=O)Nc2ccc(-c3ncn(C)n3)cc2)[C@@H](C)C1 ZINC000160660420 463360325 /nfs/dbraw/zinc/36/03/25/463360325.db2.gz RONWMZURAPUFDB-BBRMVZONSA-N 0 3 342.447 2.332 10 70 EEIEHN CN(Cc1ccc(F)cc1)C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160776390 463369717 /nfs/dbraw/zinc/36/97/17/463369717.db2.gz SBBGUEANJWXQRR-VQIMIIECSA-N 0 3 334.435 2.411 10 70 EEIEHN COCCN1CCC[C@H]1CNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000161133296 463403624 /nfs/dbraw/zinc/40/36/24/463403624.db2.gz AQHVKCNDPBMMAP-HNNXBMFYSA-N 0 3 337.468 2.162 10 70 EEIEHN CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000159362615 282186462 /nfs/dbraw/zinc/18/64/62/282186462.db2.gz NSQAYNPIJNMECU-WDEREUQCSA-N 0 3 344.381 2.086 10 70 EEIEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159570132 225241264 /nfs/dbraw/zinc/24/12/64/225241264.db2.gz VTMDSCWONWHCNH-QYZOEREBSA-N 0 3 345.487 2.416 10 70 EEIEHN Cc1nc(CC(C)C)c(C(=O)NC[C@H](O)CN2CCCCC2)s1 ZINC000160361598 273985446 /nfs/dbraw/zinc/98/54/46/273985446.db2.gz UMQHRBTUFOBBKF-AWEZNQCLSA-N 0 3 339.505 2.227 10 70 EEIEHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cnn(-c3ccccn3)c1C)CC2 ZINC000160356726 463329688 /nfs/dbraw/zinc/32/96/88/463329688.db2.gz ZQWLZADZTJEJII-IUODEOHRSA-N 0 3 337.431 2.141 10 70 EEIEHN CN(C)[C@@H]1CCN(C(=O)NCCOCc2ccc(Cl)cc2)C1 ZINC000160553208 539522397 /nfs/dbraw/zinc/52/23/97/539522397.db2.gz MDYLWYZSAICOCX-OAHLLOKOSA-N 0 3 325.840 2.202 10 70 EEIEHN CC(C)CCn1ccc(NC(=O)Nc2cnn(CCN(C)C)c2)n1 ZINC000160826235 539523935 /nfs/dbraw/zinc/52/39/35/539523935.db2.gz KQOMANJOIIWAMY-UHFFFAOYSA-N 0 3 333.440 2.331 10 70 EEIEHN O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@H](O)CN1CCCCC1 ZINC000160254077 237236566 /nfs/dbraw/zinc/23/65/66/237236566.db2.gz WWAWUSRACKRNRT-ZDUSSCGKSA-N 0 3 345.270 2.499 10 70 EEIEHN Cc1nc(CN2CCC(C(=O)N3C[C@H]4CCC[C@@H](C3)N4)CC2)cs1 ZINC000160197426 143807968 /nfs/dbraw/zinc/80/79/68/143807968.db2.gz LJWJDDCBFQKLBH-IYBDPMFKSA-N 0 3 348.516 2.016 10 70 EEIEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccnc(OCC(F)F)c1 ZINC000160245829 311351730 /nfs/dbraw/zinc/35/17/30/311351730.db2.gz AMORJPQAJSXDGE-ZDUSSCGKSA-N 0 3 329.391 2.432 10 70 EEIEHN Cc1ccc(C(=O)CCC(=O)NC[C@@H](O)CN2CCCCC2)cc1C ZINC000160597500 463354341 /nfs/dbraw/zinc/35/43/41/463354341.db2.gz MPECIYNCPNUPBH-GOSISDBHSA-N 0 3 346.471 2.229 10 70 EEIEHN CC(C)OC(=O)CCCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000159522905 527775813 /nfs/dbraw/zinc/77/58/13/527775813.db2.gz DUODQXYXMLGHJH-MRXNPFEDSA-N 0 3 335.448 2.320 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000160475423 295676470 /nfs/dbraw/zinc/67/64/70/295676470.db2.gz KROHVCRWIZPHOK-SFHVURJKSA-N 0 3 330.472 2.461 10 70 EEIEHN CN(C)CCN(C(=O)NCc1cccnc1N(C)C)C1CCCC1 ZINC000160252125 311351919 /nfs/dbraw/zinc/35/19/19/311351919.db2.gz MWZUCUHVBAUCCF-UHFFFAOYSA-N 0 3 333.480 2.163 10 70 EEIEHN C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(CC(F)(F)F)n2)CCN1C ZINC000160896974 463380435 /nfs/dbraw/zinc/38/04/35/463380435.db2.gz STWJACLVYFNLNF-QWRGUYRKSA-N 0 3 333.358 2.392 10 70 EEIEHN Cc1cc(NC(=O)CCN2CC[C@@H](CNc3ccccn3)C2)no1 ZINC000160904234 463380518 /nfs/dbraw/zinc/38/05/18/463380518.db2.gz XXNGZMJEOFHJER-AWEZNQCLSA-N 0 3 329.404 2.141 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc2ccc(Cl)cc2[nH]1 ZINC000160068484 225329762 /nfs/dbraw/zinc/32/97/62/225329762.db2.gz LQRBBJRKMRGVKR-AWEZNQCLSA-N 0 3 335.835 2.398 10 70 EEIEHN O=C(Cc1c[nH]c2ccc(Cl)cc12)NC[C@H](O)CN1CCCCC1 ZINC000160566345 463350221 /nfs/dbraw/zinc/35/02/21/463350221.db2.gz ZKMJQQLLWXQTJR-HNNXBMFYSA-N 0 3 349.862 2.327 10 70 EEIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160844377 463375833 /nfs/dbraw/zinc/37/58/33/463375833.db2.gz OPZZLGBABNAIEW-MNOVXSKESA-N 0 3 333.358 2.296 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(OCC2CC2)cc1 ZINC000160062278 237229767 /nfs/dbraw/zinc/22/97/67/237229767.db2.gz AQMVUAZMNPIOID-KRWDZBQOSA-N 0 3 332.444 2.052 10 70 EEIEHN COc1ccc(S(=O)(=O)NC[C@H]2CCCN2CC(C)C)cc1F ZINC000160305191 533063735 /nfs/dbraw/zinc/06/37/35/533063735.db2.gz XLAUBMLSTDVMAF-CYBMUJFWSA-N 0 3 344.452 2.233 10 70 EEIEHN Cc1cnn(CCNC(=O)N(CCN(C)C)CC2CCCCC2)c1 ZINC000160288109 463326007 /nfs/dbraw/zinc/32/60/07/463326007.db2.gz CUPGKWMQPKMMEM-UHFFFAOYSA-N 0 3 335.496 2.345 10 70 EEIEHN Cc1cccc(OCCCC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160501142 463343719 /nfs/dbraw/zinc/34/37/19/463343719.db2.gz NUERYMXVEGAQNE-KRWDZBQOSA-N 0 3 334.460 2.117 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccccc1C(F)(F)F ZINC000160198216 534624494 /nfs/dbraw/zinc/62/44/94/534624494.db2.gz WZORFSJEKCAQLT-LBPRGKRZSA-N 0 3 330.350 2.282 10 70 EEIEHN CN(C)CCn1cc(NC(=O)NCc2ccn(C3CCCC3)n2)cn1 ZINC000160239072 539520208 /nfs/dbraw/zinc/52/02/08/539520208.db2.gz VOUZKKPQVZLNNS-UHFFFAOYSA-N 0 3 345.451 2.078 10 70 EEIEHN Cc1ccc([O-])c(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000159583955 539516902 /nfs/dbraw/zinc/51/69/02/539516902.db2.gz LMDPNRJLVHKFJV-INIZCTEOSA-N 0 3 332.444 2.418 10 70 EEIEHN O=C(Cc1ccccc1C(F)(F)F)NC[C@H](O)CN1CCCCC1 ZINC000160189553 225356817 /nfs/dbraw/zinc/35/68/17/225356817.db2.gz LPHPKTGQNYBTMW-AWEZNQCLSA-N 0 3 344.377 2.211 10 70 EEIEHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(SC)c1 ZINC000161304504 311364267 /nfs/dbraw/zinc/36/42/67/311364267.db2.gz WXPVUBDDTJBASN-CYBMUJFWSA-N 0 3 326.437 2.388 10 70 EEIEHN Cn1ncc2c1CCC[C@@H]2NCc1ccc(CN2CCOCC2)cc1 ZINC000160634775 463357240 /nfs/dbraw/zinc/35/72/40/463357240.db2.gz PBYYRIXLEUMZSN-IBGZPJMESA-N 0 3 340.471 2.420 10 70 EEIEHN O=C(/C=C/c1ccnc2ccccc12)NC[C@H](O)CN1CCCCC1 ZINC000160344687 225392273 /nfs/dbraw/zinc/39/22/73/225392273.db2.gz IMCRGBWZDMIUSP-IJDCCNJMSA-N 0 3 339.439 2.211 10 70 EEIEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1CO ZINC000161118389 311362139 /nfs/dbraw/zinc/36/21/39/311362139.db2.gz XJFFUIZKELIRLO-IBGZPJMESA-N 0 3 341.455 2.151 10 70 EEIEHN Cc1nc(-c2c[nH]c(C(=O)NC[C@H](O)CN3CCCCC3)c2)cs1 ZINC000160171734 534856228 /nfs/dbraw/zinc/85/62/28/534856228.db2.gz XMGVIKCTQBEPBG-AWEZNQCLSA-N 0 3 348.472 2.023 10 70 EEIEHN C[C@H]1C[C@H](NC(=O)N2CCN(C3CC3)CC2)CN1Cc1ccccc1 ZINC000160035979 311349153 /nfs/dbraw/zinc/34/91/53/311349153.db2.gz ZFNHUBFZDBAHML-WMZOPIPTSA-N 0 3 342.487 2.139 10 70 EEIEHN CN(CCN1CCCC1)C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159399771 463284372 /nfs/dbraw/zinc/28/43/72/463284372.db2.gz VGBSQPKNGSFLLE-NSHDSACASA-N 0 3 344.381 2.088 10 70 EEIEHN CC(C)N(CCN(C)C)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000159698585 463299572 /nfs/dbraw/zinc/29/95/72/463299572.db2.gz VTABWDIDVKVGQI-OAHLLOKOSA-N 0 3 344.463 2.310 10 70 EEIEHN O=C(Cc1c[nH]c2cc(Cl)ccc12)NC[C@H](O)CN1CCCCC1 ZINC000160041905 237229320 /nfs/dbraw/zinc/22/93/20/237229320.db2.gz IMRYBVMDZSWPFB-HNNXBMFYSA-N 0 3 349.862 2.327 10 70 EEIEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1CO ZINC000161118285 311362498 /nfs/dbraw/zinc/36/24/98/311362498.db2.gz XJFFUIZKELIRLO-LJQANCHMSA-N 0 3 341.455 2.151 10 70 EEIEHN COc1ccc(CN2C[C@H](C(N)=O)CC[C@H]2C)cc1OC(F)F ZINC000159601128 463294857 /nfs/dbraw/zinc/29/48/57/463294857.db2.gz WVCSDBZBCBJYFR-ZYHUDNBSSA-N 0 3 328.359 2.382 10 70 EEIEHN Cc1cccc([C@H]2CCCN2C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000159924478 463309902 /nfs/dbraw/zinc/30/99/02/463309902.db2.gz LCLRQJBXHHBXJK-DOTOQJQBSA-N 0 3 337.489 2.199 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(Br)cc1 ZINC000160484488 463342930 /nfs/dbraw/zinc/34/29/30/463342930.db2.gz FIWGMJLRRZFEQI-AWEZNQCLSA-N 0 3 341.249 2.026 10 70 EEIEHN Cc1cc(F)cc2[nH]c(C(=O)NC[C@H](O)CN3CCCCC3)cc21 ZINC000160261532 278697569 /nfs/dbraw/zinc/69/75/69/278697569.db2.gz OHQCGQIDUWOWSK-AWEZNQCLSA-N 0 3 333.407 2.192 10 70 EEIEHN COc1ccc([C@H](C)N[C@H](CCO)CSC)cc1NC(C)=O ZINC000160336637 463330019 /nfs/dbraw/zinc/33/00/19/463330019.db2.gz NPUDSSRQVHAPFP-SMDDNHRTSA-N 0 3 326.462 2.418 10 70 EEIEHN COc1cccc(CN(C)C(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161180517 463407771 /nfs/dbraw/zinc/40/77/71/463407771.db2.gz WWYFRJMZBIVNBY-YLJYHZDGSA-N 0 3 346.471 2.281 10 70 EEIEHN COc1ccc([C@H](CNC(=O)N[C@H]2CCO[C@H]2C)N2CCCC2)cc1 ZINC000160606062 463355356 /nfs/dbraw/zinc/35/53/56/463355356.db2.gz XHKOMIAXRGVYTQ-WBAXXEDZSA-N 0 3 347.459 2.309 10 70 EEIEHN C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CCN1C ZINC000160637379 463357796 /nfs/dbraw/zinc/35/77/96/463357796.db2.gz NDYXPDRKHVXZHL-XJKSGUPXSA-N 0 3 342.447 2.429 10 70 EEIEHN C[C@@H]1C[C@@H](N(C)C(=O)NCc2cn(C)nc2C(F)(F)F)CCN1C ZINC000160848557 463375885 /nfs/dbraw/zinc/37/58/85/463375885.db2.gz NABKGLJVHVRVIQ-PWSUYJOCSA-N 0 3 347.385 2.063 10 70 EEIEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000160251450 528291698 /nfs/dbraw/zinc/29/16/98/528291698.db2.gz KTNUHILZPCBSAQ-INIZCTEOSA-N 0 3 331.460 2.302 10 70 EEIEHN Cc1cccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1[O-] ZINC000159588512 539517077 /nfs/dbraw/zinc/51/70/77/539517077.db2.gz JKRAXIOPUOLOAR-INIZCTEOSA-N 0 3 332.444 2.418 10 70 EEIEHN CN(C)[C@H]1CCN(C(=O)NCCOCc2ccc(Cl)cc2)C1 ZINC000160553334 539522054 /nfs/dbraw/zinc/52/20/54/539522054.db2.gz MDYLWYZSAICOCX-HNNXBMFYSA-N 0 3 325.840 2.202 10 70 EEIEHN C[C@H](CN1CCCCC1)NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160266532 311352224 /nfs/dbraw/zinc/35/22/24/311352224.db2.gz UIRGJUMWOCQPRE-OAHLLOKOSA-N 0 3 341.455 2.451 10 70 EEIEHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cnn(-c3ccccn3)c1C)CC2 ZINC000160356843 463330700 /nfs/dbraw/zinc/33/07/00/463330700.db2.gz ZQWLZADZTJEJII-SWLSCSKDSA-N 0 3 337.431 2.141 10 70 EEIEHN CC(C)COc1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160571391 463351493 /nfs/dbraw/zinc/35/14/93/463351493.db2.gz XELNXUZUQJLPRR-KRWDZBQOSA-N 0 3 334.460 2.298 10 70 EEIEHN CCC[C@@H](C(=O)N1CCC(NC(=O)c2ccccc2)CC1)N(C)C ZINC000161354293 463424637 /nfs/dbraw/zinc/42/46/37/463424637.db2.gz ZNTINNUHKOLEOJ-KRWDZBQOSA-N 0 3 331.460 2.138 10 70 EEIEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nn2c(nccc2=O)s1 ZINC000160245062 225368648 /nfs/dbraw/zinc/36/86/48/225368648.db2.gz OMPOEMQKIXIQFH-OCCSQVGLSA-N 0 3 341.440 2.083 10 70 EEIEHN Cc1noc(Cl)c1CC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000160742992 311358262 /nfs/dbraw/zinc/35/82/62/311358262.db2.gz PJNCOQHQKWYJSM-AWEZNQCLSA-N 0 3 335.835 2.468 10 70 EEIEHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(Oc2cnccn2)cc1 ZINC000159674043 463298177 /nfs/dbraw/zinc/29/81/77/463298177.db2.gz PLURGLGDAHKIIG-HIFRSBDPSA-N 0 3 326.400 2.355 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000160393929 463334341 /nfs/dbraw/zinc/33/43/41/463334341.db2.gz GFGVDYHTARHOMV-GVDBMIGSSA-N 0 3 336.863 2.407 10 70 EEIEHN COc1ccc([C@H](CNC(=O)N[C@@H]2CCO[C@H]2C)N2CCCC2)cc1 ZINC000160605792 463354729 /nfs/dbraw/zinc/35/47/29/463354729.db2.gz XHKOMIAXRGVYTQ-QGTPRVQTSA-N 0 3 347.459 2.309 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cccc(C(F)(F)F)c1F ZINC000159935933 206271990 /nfs/dbraw/zinc/27/19/90/206271990.db2.gz VLROSFIOIODOSZ-NSHDSACASA-N 0 3 348.340 2.421 10 70 EEIEHN COc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)c2ccccc12 ZINC000159980393 533332348 /nfs/dbraw/zinc/33/23/48/533332348.db2.gz GEEIPYKWBAXUIZ-HNNXBMFYSA-N 0 3 342.439 2.425 10 70 EEIEHN C[C@@H]1C[C@H](NC(=O)N2CCN(C3CC3)CC2)CN1Cc1ccccc1 ZINC000160035853 311349267 /nfs/dbraw/zinc/34/92/67/311349267.db2.gz ZFNHUBFZDBAHML-AEFFLSMTSA-N 0 3 342.487 2.139 10 70 EEIEHN CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000159362474 463282085 /nfs/dbraw/zinc/28/20/85/463282085.db2.gz NSQAYNPIJNMECU-MNOVXSKESA-N 0 3 344.381 2.086 10 70 EEIEHN CCN(C(=O)NCC1(C)COC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000160188603 463322458 /nfs/dbraw/zinc/32/24/58/463322458.db2.gz JUEDDLONQRYFMR-KRWDZBQOSA-N 0 3 331.460 2.329 10 70 EEIEHN CCCCN(C)c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160509511 463345215 /nfs/dbraw/zinc/34/52/15/463345215.db2.gz AAJYFPBZENIJQR-IBGZPJMESA-N 0 3 347.503 2.500 10 70 EEIEHN CC(C)N1C[C@H](NC(=O)c2cccc(NC(=O)NC3CC3)c2)[C@@H](C)C1 ZINC000161210514 206336261 /nfs/dbraw/zinc/33/62/61/206336261.db2.gz FWMXCIGKISNLMY-GUYCJALGSA-N 0 3 344.459 2.429 10 70 EEIEHN CC(C)(C)c1ncsc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160651391 277277390 /nfs/dbraw/zinc/27/73/90/277277390.db2.gz BCBZQBOLEPKMNA-LBPRGKRZSA-N 0 3 325.478 2.017 10 70 EEIEHN CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)CCO1 ZINC000160461114 282124092 /nfs/dbraw/zinc/12/40/92/282124092.db2.gz LUMDZUFECAQVEF-GUDVDZBRSA-N 0 3 345.487 2.370 10 70 EEIEHN COCCN1CCC[C@H]1CNC(=O)Nc1ccnc(C)c1Cl ZINC000159730136 539517886 /nfs/dbraw/zinc/51/78/86/539517886.db2.gz GPXXERRZNXCWBQ-LBPRGKRZSA-N 0 3 326.828 2.276 10 70 EEIEHN COc1ccccc1N1CC[C@@H](NC(=O)N(CCN(C)C)C(C)C)C1 ZINC000159599155 206254761 /nfs/dbraw/zinc/25/47/61/206254761.db2.gz LOTQEEAWMSRAKQ-MRXNPFEDSA-N 0 3 348.491 2.256 10 70 EEIEHN C[C@@H]1CCCCN1CCNC(=O)CCc1nc(-c2ccoc2)no1 ZINC000159894924 206269254 /nfs/dbraw/zinc/26/92/54/206269254.db2.gz HXYXVFFQSJPOOL-CYBMUJFWSA-N 0 3 332.404 2.253 10 70 EEIEHN CCN1CCCN(C(=O)NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000159582154 539517010 /nfs/dbraw/zinc/51/70/10/539517010.db2.gz GRJSQMHHEGPRIL-UHFFFAOYSA-N 0 3 335.839 2.225 10 70 EEIEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000160251577 206286123 /nfs/dbraw/zinc/28/61/23/206286123.db2.gz KTNUHILZPCBSAQ-MRXNPFEDSA-N 0 3 331.460 2.302 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000160235007 303800965 /nfs/dbraw/zinc/80/09/65/303800965.db2.gz ZLOUIIOZXPYUMP-CUWPLCDZSA-N 0 3 342.483 2.244 10 70 EEIEHN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c2ccccc21 ZINC000159514964 463289647 /nfs/dbraw/zinc/28/96/47/463289647.db2.gz NSLIPMNZTQSYFP-IIDMSEBBSA-N 0 3 343.471 2.151 10 70 EEIEHN C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCCO2)CN1Cc1ccccc1 ZINC000159857366 463308168 /nfs/dbraw/zinc/30/81/68/463308168.db2.gz KYVPELRAPKGBKR-JQHSSLGASA-N 0 3 331.460 2.470 10 70 EEIEHN Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c([O-])c1 ZINC000159578174 539516611 /nfs/dbraw/zinc/51/66/11/539516611.db2.gz MCMZTHJCWAMSJM-MRXNPFEDSA-N 0 3 332.444 2.418 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000159961975 237226083 /nfs/dbraw/zinc/22/60/83/237226083.db2.gz NUSCCVJLNVPCIY-DZKIICNBSA-N 0 3 338.398 2.031 10 70 EEIEHN C[C@H]1C[C@@H](N(C)C(=O)NCc2cn(C)nc2C(F)(F)F)CCN1C ZINC000160848667 206315575 /nfs/dbraw/zinc/31/55/75/206315575.db2.gz NABKGLJVHVRVIQ-JQWIXIFHSA-N 0 3 347.385 2.063 10 70 EEIEHN CCN1CCC[C@H](NC(=O)NCc2cccc(OCCCOC)c2)C1 ZINC000159733861 311345265 /nfs/dbraw/zinc/34/52/65/311345265.db2.gz PLGZFFAVSRSTEH-KRWDZBQOSA-N 0 3 349.475 2.385 10 70 EEIEHN CC(C)CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159842687 311346893 /nfs/dbraw/zinc/34/68/93/311346893.db2.gz GGFYYEYCUSFINX-LSDHHAIUSA-N 0 3 329.448 2.469 10 70 EEIEHN C[C@@H](CN1CCCCC1)NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160266419 311352369 /nfs/dbraw/zinc/35/23/69/311352369.db2.gz UIRGJUMWOCQPRE-HNNXBMFYSA-N 0 3 341.455 2.451 10 70 EEIEHN Cc1cccc(-n2cc(C(=O)NC[C@H]3CCCN3CC(C)C)nn2)c1 ZINC000160498989 311354803 /nfs/dbraw/zinc/35/48/03/311354803.db2.gz DCZOXOMAKNJJTA-QGZVFWFLSA-N 0 3 341.459 2.426 10 70 EEIEHN CCC[C@H](C(=O)N1CCN(C(=O)CCC2CCCC2)CC1)N(C)C ZINC000161470308 311366643 /nfs/dbraw/zinc/36/66/43/311366643.db2.gz SRVVXNLETSUFRR-QGZVFWFLSA-N 0 3 337.508 2.358 10 70 EEIEHN CC(C)OCCN1CCN(CCN(C)Cc2ccc(F)cc2)CC1 ZINC000159937818 463311949 /nfs/dbraw/zinc/31/19/49/463311949.db2.gz GOGKPCGIHNTCBU-UHFFFAOYSA-N 0 3 337.483 2.300 10 70 EEIEHN O=C1c2ccccc2C(=O)N1CCCN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160558582 463349396 /nfs/dbraw/zinc/34/93/96/463349396.db2.gz OFYIHTQCVUWQPK-QRWLVFNGSA-N 0 3 342.439 2.300 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(C(F)(F)F)ccc1F ZINC000160236810 206286392 /nfs/dbraw/zinc/28/63/92/206286392.db2.gz FPMXRSXXIBNGHP-LBPRGKRZSA-N 0 3 348.340 2.421 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000160563204 206303474 /nfs/dbraw/zinc/30/34/74/206303474.db2.gz KVBCLDYJTHNRIS-KKUMJFAQSA-N 0 3 338.398 2.031 10 70 EEIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(C)(C)NC(=O)Nc2ccccc2)C1 ZINC000161411447 206346402 /nfs/dbraw/zinc/34/64/02/206346402.db2.gz HVJNYDZRTHIKHY-ZBFHGGJFSA-N 0 3 346.475 2.432 10 70 EEIEHN CC(C)NC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160826010 463373762 /nfs/dbraw/zinc/37/37/62/463373762.db2.gz NGMDFFDCDRYVSP-KGLIPLIRSA-N 0 3 343.431 2.146 10 70 EEIEHN C[C@@H]1CCCCN1CCNC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000159898755 206270653 /nfs/dbraw/zinc/27/06/53/206270653.db2.gz ZPLGMQFSAHTBQL-CQSZACIVSA-N 0 3 332.448 2.384 10 70 EEIEHN COc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1NC(C)=O ZINC000160501928 206300531 /nfs/dbraw/zinc/30/05/31/206300531.db2.gz UNWMMTRFJDOTSN-NHYWBVRUSA-N 0 3 343.431 2.219 10 70 EEIEHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn(CC(F)(F)F)n2)CCN1C ZINC000160896871 463380417 /nfs/dbraw/zinc/38/04/17/463380417.db2.gz STWJACLVYFNLNF-MNOVXSKESA-N 0 3 333.358 2.392 10 70 EEIEHN CN(C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000159362755 206241190 /nfs/dbraw/zinc/24/11/90/206241190.db2.gz NSQAYNPIJNMECU-QWRGUYRKSA-N 0 3 344.381 2.086 10 70 EEIEHN CCc1ccc(C(=O)CCC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160006445 206275120 /nfs/dbraw/zinc/27/51/20/206275120.db2.gz SGCYFNWTFBGIIO-SFHVURJKSA-N 0 3 346.471 2.175 10 70 EEIEHN Cc1ccc2cccc(C(=O)NC[C@H](O)CN3CCCCC3)c2n1 ZINC000160010221 206275272 /nfs/dbraw/zinc/27/52/72/206275272.db2.gz GRTMUOKRHPQOHM-INIZCTEOSA-N 0 3 327.428 2.120 10 70 EEIEHN C[C@@H]1CCCN(CCNC(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC000160498901 311354771 /nfs/dbraw/zinc/35/47/71/311354771.db2.gz SAAZEOCKOWFHSH-OAHLLOKOSA-N 0 3 341.455 2.309 10 70 EEIEHN COc1ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC(F)F ZINC000159601005 463295567 /nfs/dbraw/zinc/29/55/67/463295567.db2.gz WVCSDBZBCBJYFR-JQWIXIFHSA-N 0 3 328.359 2.382 10 70 EEIEHN CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000161090662 463398588 /nfs/dbraw/zinc/39/85/88/463398588.db2.gz KRFPDEVQVHYTOL-HNNXBMFYSA-N 0 3 337.468 2.258 10 70 EEIEHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCCCS(C)(=O)=O ZINC000161240187 539525887 /nfs/dbraw/zinc/52/58/87/539525887.db2.gz PTFNKMAWBJGFEU-AWEZNQCLSA-N 0 3 336.461 2.085 10 70 EEIEHN CC(C)N(C[C@H](C)O)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000160859252 279449128 /nfs/dbraw/zinc/44/91/28/279449128.db2.gz HIEUVUUSIIBCHE-HNNXBMFYSA-N 0 3 343.537 2.149 10 70 EEIEHN CCC[C@@H](C(=O)N1CCN(c2ccc(F)cc2OC)CC1)N(C)C ZINC000159717011 311344943 /nfs/dbraw/zinc/34/49/43/311344943.db2.gz RDGLPUXDDKNRKH-INIZCTEOSA-N 0 3 337.439 2.213 10 70 EEIEHN COc1ccc(CN(C)C(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160527228 463347187 /nfs/dbraw/zinc/34/71/87/463347187.db2.gz GWMXTOGRINGFSW-YLJYHZDGSA-N 0 3 346.471 2.281 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000159910362 225300357 /nfs/dbraw/zinc/30/03/57/225300357.db2.gz WPFSYNVMIZULBQ-NWANDNLSSA-N 0 3 338.398 2.031 10 70 EEIEHN C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160421796 463337223 /nfs/dbraw/zinc/33/72/23/463337223.db2.gz JSSXEIAYPADOFP-KGLIPLIRSA-N 0 3 340.851 2.070 10 70 EEIEHN CC(C)N1C[C@H](NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)[C@@H](C)C1 ZINC000161373934 463426228 /nfs/dbraw/zinc/42/62/28/463426228.db2.gz BEFDLXHRQSFTET-ZBEGNZNMSA-N 0 3 331.391 2.126 10 70 EEIEHN C[C@@H](NC(C)(C)CNC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000159868135 533323751 /nfs/dbraw/zinc/32/37/51/533323751.db2.gz CVLQXDLALDEPAV-GDBMZVCRSA-N 0 3 346.475 2.036 10 70 EEIEHN Cc1ccc(-c2nc(C(=O)NC[C@H](O)CN3CCCCC3)cs2)o1 ZINC000160691468 463362083 /nfs/dbraw/zinc/36/20/83/463362083.db2.gz SGRSLOQLFSLMDH-ZDUSSCGKSA-N 0 3 349.456 2.288 10 70 EEIEHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000161133414 463403238 /nfs/dbraw/zinc/40/32/38/463403238.db2.gz AQHVKCNDPBMMAP-OAHLLOKOSA-N 0 3 337.468 2.162 10 70 EEIEHN CN(C)C[C@@H]1CN(CCc2cccc(OC(F)(F)F)c2)CCO1 ZINC000160015734 463314127 /nfs/dbraw/zinc/31/41/27/463314127.db2.gz GHKYHONHIVCOBV-OAHLLOKOSA-N 0 3 332.366 2.390 10 70 EEIEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160643915 463359225 /nfs/dbraw/zinc/35/92/25/463359225.db2.gz PUFAVGXPPMTCNV-MRXNPFEDSA-N 0 3 342.447 2.430 10 70 EEIEHN CCC[C@H](C)NC(=O)C(C)S(=O)(=O)Cc1nccn1C(C)C ZINC000161213280 463410312 /nfs/dbraw/zinc/41/03/12/463410312.db2.gz KTNPQHZUPWOVRE-STQMWFEESA-N 0 3 329.466 2.072 10 70 EEIEHN CCn1cnnc1[C@@H]1CCCN(Cc2ccc(C(=O)OC)cc2)C1 ZINC000161284079 463415904 /nfs/dbraw/zinc/41/59/04/463415904.db2.gz HOPXITNAYZWRSW-MRXNPFEDSA-N 0 3 328.416 2.464 10 70 EEIEHN CC(C)COc1ccc([C@H](C)NC(=O)C(C)S(C)(=O)=O)cc1 ZINC000159867629 528164503 /nfs/dbraw/zinc/16/45/03/528164503.db2.gz WQWMROYKIOAYFD-QWHCGFSZSA-N 0 3 327.446 2.332 10 70 EEIEHN C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCCO2)CN1Cc1ccccc1 ZINC000159857078 225292398 /nfs/dbraw/zinc/29/23/98/225292398.db2.gz KYVPELRAPKGBKR-SZMVWBNQSA-N 0 3 331.460 2.470 10 70 EEIEHN CC(C)CCNC(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159843040 311347190 /nfs/dbraw/zinc/34/71/90/311347190.db2.gz GGFYYEYCUSFINX-CABCVRRESA-N 0 3 329.448 2.469 10 70 EEIEHN CCOCCCNC(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160807945 463372723 /nfs/dbraw/zinc/37/27/23/463372723.db2.gz SARNQSMBHFLTQF-CVEARBPZSA-N 0 3 344.459 2.454 10 70 EEIEHN CCN1CCN(CCC(=O)Nc2ccccc2-n2ccc(C)n2)CC1 ZINC000161330878 463422371 /nfs/dbraw/zinc/42/23/71/463422371.db2.gz FZSPCVQRTBMWGL-UHFFFAOYSA-N 0 3 341.459 2.147 10 70 EEIEHN CNS(=O)(=O)c1ccc([C@@H](C)NC[C@](C)(O)CCC(C)C)cc1 ZINC000159435723 536321104 /nfs/dbraw/zinc/32/11/04/536321104.db2.gz IMLHTVBGCUGZDH-RHSMWYFYSA-N 0 3 342.505 2.433 10 70 EEIEHN Cc1cccc2c(CCC(=O)NC[C@H](O)CN3CCCCC3)c[nH]c21 ZINC000160290321 237236157 /nfs/dbraw/zinc/23/61/57/237236157.db2.gz FCEOZYHBYVQASK-KRWDZBQOSA-N 0 3 343.471 2.372 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccccc1Br ZINC000160498796 255797699 /nfs/dbraw/zinc/79/76/99/255797699.db2.gz ZSFSRJQLOPFVKP-LBPRGKRZSA-N 0 3 341.249 2.026 10 70 EEIEHN CC(C)CN(CCN(C)C)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160781781 463370856 /nfs/dbraw/zinc/37/08/56/463370856.db2.gz KBMXZNDNTGKIBW-UHFFFAOYSA-N 0 3 349.401 2.168 10 70 EEIEHN C[C@H]1C[C@H](N(C)C(=O)NCc2cn(C)nc2C(F)(F)F)CCN1C ZINC000160848435 463375739 /nfs/dbraw/zinc/37/57/39/463375739.db2.gz NABKGLJVHVRVIQ-CMPLNLGQSA-N 0 3 347.385 2.063 10 70 EEIEHN CCN1CCCN(C(=O)NCCCc2ccc(OC)c(OC)c2)CC1 ZINC000159761620 529024764 /nfs/dbraw/zinc/02/47/64/529024764.db2.gz PTLVLOCNDBLGJV-UHFFFAOYSA-N 0 3 349.475 2.374 10 70 EEIEHN Cc1cc2[nH]c(C(=O)NC[C@H](O)CN3CCCCC3)cc2c(C)c1 ZINC000160222708 237235021 /nfs/dbraw/zinc/23/50/21/237235021.db2.gz BELOYNFNYJNGDM-HNNXBMFYSA-N 0 3 329.444 2.361 10 70 EEIEHN C[C@]1(C(=O)NC[C@@H](O)CN2CCCCC2)CCCc2ccccc21 ZINC000160419506 273985763 /nfs/dbraw/zinc/98/57/63/273985763.db2.gz WIMDZSFTIJMPIW-XLIONFOSSA-N 0 3 330.472 2.244 10 70 EEIEHN COC(=O)c1csc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000160704836 311357933 /nfs/dbraw/zinc/35/79/33/311357933.db2.gz SKSJJDRBTVDQFW-PWSUYJOCSA-N 0 3 325.434 2.385 10 70 EEIEHN C[C@@H]1C[C@@H](NC(=O)N2CCC(C3CCOCC3)CC2)CN1C1CC1 ZINC000160003132 463313715 /nfs/dbraw/zinc/31/37/15/463313715.db2.gz YJUQTIDUSQQTGE-RHSMWYFYSA-N 0 3 335.492 2.460 10 70 EEIEHN Cn1cc(CCC(=O)NC[C@H](O)CN2CCCCC2)c2ccccc21 ZINC000160631267 463357207 /nfs/dbraw/zinc/35/72/07/463357207.db2.gz KEIFTPOENZZJSD-KRWDZBQOSA-N 0 3 343.471 2.074 10 70 EEIEHN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccn(CC(F)(F)F)n2)CCN1C ZINC000160896654 463380081 /nfs/dbraw/zinc/38/00/81/463380081.db2.gz STWJACLVYFNLNF-GHMZBOCLSA-N 0 3 333.358 2.392 10 70 EEIEHN CCn1cnnc1[C@H]1CCCN(Cc2cccc(C(=O)OC)c2)C1 ZINC000161307912 463418085 /nfs/dbraw/zinc/41/80/85/463418085.db2.gz DRARCGAXGXXFIY-INIZCTEOSA-N 0 3 328.416 2.464 10 70 EEIEHN C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000159867988 533783238 /nfs/dbraw/zinc/78/32/38/533783238.db2.gz CVLQXDLALDEPAV-GOEBONIOSA-N 0 3 346.475 2.036 10 70 EEIEHN COc1ccc([C@H](C)N[C@@H](CCO)CSC)cc1NC(C)=O ZINC000160336382 159708615 /nfs/dbraw/zinc/70/86/15/159708615.db2.gz NPUDSSRQVHAPFP-FZMZJTMJSA-N 0 3 326.462 2.418 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)C1(c2ccc(Cl)cc2)CC1 ZINC000160334132 225390323 /nfs/dbraw/zinc/39/03/23/225390323.db2.gz RBWDBPORRRRSLC-INIZCTEOSA-N 0 3 336.863 2.335 10 70 EEIEHN C[C@@]1(C(=O)NC[C@H](O)CN2CCCCC2)CCCc2ccccc21 ZINC000160419367 273985739 /nfs/dbraw/zinc/98/57/39/273985739.db2.gz WIMDZSFTIJMPIW-FXAWDEMLSA-N 0 3 330.472 2.244 10 70 EEIEHN CC(C)[C@@H](C(=O)N1CCC(C(=O)NCc2ccccc2)CC1)N(C)C ZINC000159708061 463299537 /nfs/dbraw/zinc/29/95/37/463299537.db2.gz LZCNTFVTVOVHOG-SFHVURJKSA-N 0 3 345.487 2.128 10 70 EEIEHN C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCCO2)CN1Cc1ccccc1 ZINC000159856957 463307506 /nfs/dbraw/zinc/30/75/06/463307506.db2.gz KYVPELRAPKGBKR-NJAFHUGGSA-N 0 3 331.460 2.470 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000160234865 463323179 /nfs/dbraw/zinc/32/31/79/463323179.db2.gz ZLOUIIOZXPYUMP-HFSMHLIXSA-N 0 3 342.483 2.244 10 70 EEIEHN O=C1c2ccccc2C(=O)N1CCCN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160558435 463349516 /nfs/dbraw/zinc/34/95/16/463349516.db2.gz OFYIHTQCVUWQPK-FOIQADDNSA-N 0 3 342.439 2.300 10 70 EEIEHN CCC(CC)CNC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000160561958 463350089 /nfs/dbraw/zinc/35/00/89/463350089.db2.gz NVEDCUKPNGAKTP-UHFFFAOYSA-N 0 3 335.496 2.425 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000160602867 463353536 /nfs/dbraw/zinc/35/35/36/463353536.db2.gz PJVRSKAQSDCVGB-AWEZNQCLSA-N 0 3 330.350 2.282 10 70 EEIEHN O=C(CCN1CCC(c2cc[nH]n2)CC1)NC(=O)Nc1ccccc1 ZINC000160624856 463355955 /nfs/dbraw/zinc/35/59/55/463355955.db2.gz CFWNOUOFONNQRF-UHFFFAOYSA-N 0 3 341.415 2.328 10 70 EEIEHN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CCN1C ZINC000160637245 463358068 /nfs/dbraw/zinc/35/80/68/463358068.db2.gz NDYXPDRKHVXZHL-CZUORRHYSA-N 0 3 342.447 2.429 10 70 EEIEHN Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160654069 463358590 /nfs/dbraw/zinc/35/85/90/463358590.db2.gz ITCJAWGZCULKFB-OAHLLOKOSA-N 0 3 329.444 2.361 10 70 EEIEHN CCOCCCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160807684 463372852 /nfs/dbraw/zinc/37/28/52/463372852.db2.gz SARNQSMBHFLTQF-HOTGVXAUSA-N 0 3 344.459 2.454 10 70 EEIEHN Cc1cccc(-n2cc(C(=O)N[C@H](CC(C)C)CN(C)C)nn2)c1 ZINC000161230072 463411297 /nfs/dbraw/zinc/41/12/97/463411297.db2.gz QWGHZOSWMZHUED-OAHLLOKOSA-N 0 3 329.448 2.282 10 70 EEIEHN CCN1CCCN(C(=O)N[C@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000159797634 539518804 /nfs/dbraw/zinc/51/88/04/539518804.db2.gz HXVYSDNGXWATPL-INIZCTEOSA-N 0 3 344.463 2.164 10 70 EEIEHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000161076597 463397125 /nfs/dbraw/zinc/39/71/25/463397125.db2.gz XBCYODIBTGBRBH-WBVHZDCISA-N 0 3 331.460 2.265 10 70 EEIEHN CCC(CC)(C[NH3+])C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161196088 463409361 /nfs/dbraw/zinc/40/93/61/463409361.db2.gz GVUKPEDFLOOKJL-UHFFFAOYSA-N 0 3 328.416 2.449 10 70 EEIEHN CCN1CCCN(C(=O)N[C@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000159974046 529030521 /nfs/dbraw/zinc/03/05/21/529030521.db2.gz KBSLCVAVJRUGIC-INIZCTEOSA-N 0 3 346.475 2.011 10 70 EEIEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000159992542 225315663 /nfs/dbraw/zinc/31/56/63/225315663.db2.gz PYLOGYAIVPLFHY-CQSZACIVSA-N 0 3 339.395 2.024 10 70 EEIEHN CC(C)N(C[C@@H](C)O)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000160859136 279441176 /nfs/dbraw/zinc/44/11/76/279441176.db2.gz HIEUVUUSIIBCHE-OAHLLOKOSA-N 0 3 343.537 2.149 10 70 EEIEHN COC(=O)c1csc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000161133229 311362759 /nfs/dbraw/zinc/36/27/59/311362759.db2.gz LRTHLUSAKXXHLD-PWSUYJOCSA-N 0 3 325.434 2.481 10 70 EEIEHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCO[C@H](c2cccs2)C1 ZINC000161109314 539524587 /nfs/dbraw/zinc/52/45/87/539524587.db2.gz CYIKKLGMIXGARY-GJZGRUSLSA-N 0 3 335.473 2.315 10 70 EEIEHN C[C@H]1CCCCN1CCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160578077 255799661 /nfs/dbraw/zinc/79/96/61/255799661.db2.gz AOAHLYFWEQZQEO-NSHDSACASA-N 0 3 333.358 2.441 10 70 EEIEHN O=C(NC1CCN(C2CC2)CC1)N1CCO[C@H](c2ccsc2)C1 ZINC000159733079 225268129 /nfs/dbraw/zinc/26/81/29/225268129.db2.gz WNDCPRSWYCKALY-INIZCTEOSA-N 0 3 335.473 2.458 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000160369585 225398358 /nfs/dbraw/zinc/39/83/58/225398358.db2.gz WHCBNCBZOGNOJA-INIZCTEOSA-N 0 3 345.418 2.397 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000160114086 225340681 /nfs/dbraw/zinc/34/06/81/225340681.db2.gz RYQUDSKTXLSFGF-LBPRGKRZSA-N 0 3 348.340 2.421 10 70 EEIEHN C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160124959 225343459 /nfs/dbraw/zinc/34/34/59/225343459.db2.gz YTFYDEPKVIAFPX-ZFWWWQNUSA-N 0 3 340.851 2.070 10 70 EEIEHN Cc1cc(C)cc(OCCC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160396283 463334480 /nfs/dbraw/zinc/33/44/80/463334480.db2.gz XDCUTUMYCYBLAU-KRWDZBQOSA-N 0 3 334.460 2.035 10 70 EEIEHN COc1ccc([C@H](CNC(=O)N[C@@H]2CCO[C@@H]2C)N2CCCC2)cc1 ZINC000160605665 463355051 /nfs/dbraw/zinc/35/50/51/463355051.db2.gz XHKOMIAXRGVYTQ-OLMNPRSZSA-N 0 3 347.459 2.309 10 70 EEIEHN Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160653941 463359250 /nfs/dbraw/zinc/35/92/50/463359250.db2.gz ITCJAWGZCULKFB-HNNXBMFYSA-N 0 3 329.444 2.361 10 70 EEIEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)Cc1cccc(F)c1 ZINC000160265524 527978360 /nfs/dbraw/zinc/97/83/60/527978360.db2.gz AFDGNXLRSYDVOJ-MRXNPFEDSA-N 0 3 328.453 2.366 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000160231829 225366883 /nfs/dbraw/zinc/36/68/83/225366883.db2.gz AVCFEEPTTQDADI-IHRRRGAJSA-N 0 3 338.398 2.031 10 70 EEIEHN CNS(=O)(=O)c1ccc([C@H](C)NC[C@](C)(O)CCC(C)C)cc1 ZINC000159435495 463285422 /nfs/dbraw/zinc/28/54/22/463285422.db2.gz IMLHTVBGCUGZDH-WMLDXEAASA-N 0 3 342.505 2.433 10 70 EEIEHN O=C(Cc1cccc2ccccc21)NC[C@H](O)CN1CCCCC1 ZINC000160602603 463354043 /nfs/dbraw/zinc/35/40/43/463354043.db2.gz UJZZUXFZUGRGOA-SFHVURJKSA-N 0 3 326.440 2.345 10 70 EEIEHN CCC(CC)NC(=O)C(C)S(=O)(=O)Cc1nccn1C(C)C ZINC000161212733 463410389 /nfs/dbraw/zinc/41/03/89/463410389.db2.gz FGJVGGQHNHTYJD-LBPRGKRZSA-N 0 3 329.466 2.072 10 70 EEIEHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@H](CO)c2ccccc2)c1 ZINC000161506632 463435484 /nfs/dbraw/zinc/43/54/84/463435484.db2.gz GEQAMAHINWXKJP-WMLDXEAASA-N 0 3 348.468 2.021 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000159962387 237227882 /nfs/dbraw/zinc/22/78/82/237227882.db2.gz NUSCCVJLNVPCIY-SQWLQELKSA-N 0 3 338.398 2.031 10 70 EEIEHN Cc1[nH]c2c(cccc2C(=O)NC[C@H](O)CN2CCCCC2)c1C ZINC000160190877 533615811 /nfs/dbraw/zinc/61/58/11/533615811.db2.gz MTWKRIKALWVLQD-HNNXBMFYSA-N 0 3 329.444 2.361 10 70 EEIEHN CN(CCN1CCCC1)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159399648 276943296 /nfs/dbraw/zinc/94/32/96/276943296.db2.gz VGBSQPKNGSFLLE-LLVKDONJSA-N 0 3 344.381 2.088 10 70 EEIEHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000160578283 311356231 /nfs/dbraw/zinc/35/62/31/311356231.db2.gz LPKMIVMNVABAMK-CQSZACIVSA-N 0 3 347.488 2.394 10 70 EEIEHN COCCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160433118 463338716 /nfs/dbraw/zinc/33/87/16/463338716.db2.gz YAELMHJHWCVDDO-UKRRQHHQSA-N 0 3 326.387 2.153 10 70 EEIEHN CC(C)NC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160825629 463374121 /nfs/dbraw/zinc/37/41/21/463374121.db2.gz NGMDFFDCDRYVSP-UONOGXRCSA-N 0 3 343.431 2.146 10 70 EEIEHN CC(C)Cc1ccc(CC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160260162 528645354 /nfs/dbraw/zinc/64/53/54/528645354.db2.gz VWJQDBPVLCRHFQ-IBGZPJMESA-N 0 3 332.488 2.391 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(Br)cs1 ZINC000160238487 237236634 /nfs/dbraw/zinc/23/66/34/237236634.db2.gz ZACXXRXXNPGPPI-NSHDSACASA-N 0 3 347.278 2.087 10 70 EEIEHN COc1ccc(CN(C)C(=O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160527344 463346789 /nfs/dbraw/zinc/34/67/89/463346789.db2.gz GWMXTOGRINGFSW-XLIONFOSSA-N 0 3 346.471 2.281 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160563355 463350661 /nfs/dbraw/zinc/35/06/61/463350661.db2.gz KVBCLDYJTHNRIS-ZNMIVQPWSA-N 0 3 338.398 2.031 10 70 EEIEHN CCC[C@H](C)NC(=O)C(C)S(=O)(=O)Cc1nccn1C(C)C ZINC000161212975 463410890 /nfs/dbraw/zinc/41/08/90/463410890.db2.gz KTNPQHZUPWOVRE-QWHCGFSZSA-N 0 3 329.466 2.072 10 70 EEIEHN C[C@H]1CCCN(CCNC(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC000160499031 311354798 /nfs/dbraw/zinc/35/47/98/311354798.db2.gz SAAZEOCKOWFHSH-HNNXBMFYSA-N 0 3 341.455 2.309 10 70 EEIEHN CC[C@](C)(O)CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000160713012 463364708 /nfs/dbraw/zinc/36/47/08/463364708.db2.gz FHTFHMBOOFHVOJ-KRWDZBQOSA-N 0 3 336.867 2.266 10 70 EEIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)N2CCc3ccccc3C2)C1 ZINC000161234268 463412492 /nfs/dbraw/zinc/41/24/92/463412492.db2.gz ZRPANIJXFFVSMD-MDZRGWNJSA-N 0 3 329.488 2.278 10 70 EEIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000161373793 463426306 /nfs/dbraw/zinc/42/63/06/463426306.db2.gz BEFDLXHRQSFTET-BZNIZROVSA-N 0 3 331.391 2.126 10 70 EEIEHN Cc1cnccc1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000159827660 534699915 /nfs/dbraw/zinc/69/99/15/534699915.db2.gz JLWFYQOASLSRKR-LJQANCHMSA-N 0 3 340.471 2.405 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000160194285 225358335 /nfs/dbraw/zinc/35/83/35/225358335.db2.gz JJOOCSMFRDXJMN-OTWHNJEPSA-N 0 3 346.471 2.117 10 70 EEIEHN COc1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC(F)F ZINC000159601254 463295541 /nfs/dbraw/zinc/29/55/41/463295541.db2.gz WVCSDBZBCBJYFR-CMPLNLGQSA-N 0 3 328.359 2.382 10 70 EEIEHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(Oc2cnccn2)cc1 ZINC000159674180 463298892 /nfs/dbraw/zinc/29/88/92/463298892.db2.gz PLURGLGDAHKIIG-ZFWWWQNUSA-N 0 3 326.400 2.355 10 70 EEIEHN Cc1ccc(-c2ocnc2C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160608831 463354797 /nfs/dbraw/zinc/35/47/97/463354797.db2.gz FYGATACDMUXETP-INIZCTEOSA-N 0 3 343.427 2.227 10 70 EEIEHN CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000161490521 539527993 /nfs/dbraw/zinc/52/79/93/539527993.db2.gz AONWLNLCOBVFNZ-INIZCTEOSA-N 0 3 337.468 2.258 10 70 EEIEHN O=C(CSc1ccccc1Cl)NC[C@H](O)CN1CCCCC1 ZINC000160314425 225386959 /nfs/dbraw/zinc/38/69/59/225386959.db2.gz GHZRUROKRYYLKF-ZDUSSCGKSA-N 0 3 342.892 2.395 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000160231945 225367061 /nfs/dbraw/zinc/36/70/61/225367061.db2.gz AVCFEEPTTQDADI-BFHYXJOUSA-N 0 3 338.398 2.031 10 70 EEIEHN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)N2CCc3ccccc3C2)n[nH]1 ZINC000161161177 311362742 /nfs/dbraw/zinc/36/27/42/311362742.db2.gz QLXHUDQPPZQNPW-UKRRQHHQSA-N 0 3 326.444 2.212 10 70 EEIEHN C[C@@]1(C(=O)NC[C@@H](O)CN2CCCCC2)CCCc2ccccc21 ZINC000160419639 463336704 /nfs/dbraw/zinc/33/67/04/463336704.db2.gz WIMDZSFTIJMPIW-YLJYHZDGSA-N 0 3 330.472 2.244 10 70 EEIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000160660294 463359871 /nfs/dbraw/zinc/35/98/71/463359871.db2.gz RONWMZURAPUFDB-CJNGLKHVSA-N 0 3 342.447 2.332 10 70 EEIEHN CN1CCC[C@H]1CNC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000160132297 530063176 /nfs/dbraw/zinc/06/31/76/530063176.db2.gz RKWMAGVXGGTCQD-ZDUSSCGKSA-N 0 3 336.457 2.150 10 70 EEIEHN COc1ccc([C@H](C)NCCCN2CCCC2=O)cc1NC(C)=O ZINC000159551344 225237750 /nfs/dbraw/zinc/23/77/50/225237750.db2.gz FKNLJABNLGTPRE-ZDUSSCGKSA-N 0 3 333.432 2.317 10 70 EEIEHN CCN1CCCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000159466767 276163151 /nfs/dbraw/zinc/16/31/51/276163151.db2.gz AMOCYQRZBLGTPB-LLVKDONJSA-N 0 3 344.381 2.088 10 70 EEIEHN CCN1CCC[C@@H](NC(=O)NCc2cccc(OCCCOC)c2)C1 ZINC000159733998 311344995 /nfs/dbraw/zinc/34/49/95/311344995.db2.gz PLGZFFAVSRSTEH-QGZVFWFLSA-N 0 3 349.475 2.385 10 70 EEIEHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@](C)(O)CCC(C)C)c1 ZINC000159391206 463284997 /nfs/dbraw/zinc/28/49/97/463284997.db2.gz WJZANPJUIXXRKA-WMLDXEAASA-N 0 3 342.505 2.433 10 70 EEIEHN CN(Cc1cnc2ccccn12)C1CCN(CCn2cccn2)CC1 ZINC000159994512 463314211 /nfs/dbraw/zinc/31/42/11/463314211.db2.gz GWLHSJGOIXXQBF-UHFFFAOYSA-N 0 3 338.459 2.127 10 70 EEIEHN CN(CCN1CCC(N2CCCNC2=O)CC1)Cc1ccc(F)cc1 ZINC000160936068 463383487 /nfs/dbraw/zinc/38/34/87/463383487.db2.gz RUOCZKYATAJNGT-UHFFFAOYSA-N 0 3 348.466 2.137 10 70 EEIEHN CCC[C@H](C(=O)N1CCC(NC(=O)c2ccccc2)CC1)N(C)C ZINC000161354392 463424187 /nfs/dbraw/zinc/42/41/87/463424187.db2.gz ZNTINNUHKOLEOJ-QGZVFWFLSA-N 0 3 331.460 2.138 10 70 EEIEHN Cc1ccc2[nH]c(C(=O)NC[C@H](O)CN3CCCCC3)cc2c1C ZINC000160035700 534351144 /nfs/dbraw/zinc/35/11/44/534351144.db2.gz IEDFMMAWQLWUCA-HNNXBMFYSA-N 0 3 329.444 2.361 10 70 EEIEHN O=C(CCN1CCC(c2cc[nH]n2)CC1)Nc1ccc2c(c1)OCO2 ZINC000160652961 463358704 /nfs/dbraw/zinc/35/87/04/463358704.db2.gz GQRMLFSANZZIHE-UHFFFAOYSA-N 0 3 342.399 2.347 10 70 EEIEHN CN(C(=O)c1csnn1)c1ccc(OCCN2CCCC2)cc1 ZINC000160935684 463384199 /nfs/dbraw/zinc/38/41/99/463384199.db2.gz WPKBWOPGMRQIPD-UHFFFAOYSA-N 0 3 332.429 2.289 10 70 EEIEHN CCN(CC)CC(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000161171488 463406353 /nfs/dbraw/zinc/40/63/53/463406353.db2.gz XBQSETTVOHBQIV-UHFFFAOYSA-N 0 3 326.387 2.429 10 70 EEIEHN CCC[C@@H](C)NC(=O)C(C)S(=O)(=O)Cc1nccn1C(C)C ZINC000161213146 463410566 /nfs/dbraw/zinc/41/05/66/463410566.db2.gz KTNPQHZUPWOVRE-OLZOCXBDSA-N 0 3 329.466 2.072 10 70 EEIEHN CCN1CCCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000159573884 529029672 /nfs/dbraw/zinc/02/96/72/529029672.db2.gz WNQMVQLLTLZTGA-UHFFFAOYSA-N 0 3 327.432 2.110 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000160231687 225367116 /nfs/dbraw/zinc/36/71/16/225367116.db2.gz AVCFEEPTTQDADI-MJBXVCDLSA-N 0 3 338.398 2.031 10 70 EEIEHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CN(C)C ZINC000159752624 463303144 /nfs/dbraw/zinc/30/31/44/463303144.db2.gz CKULYZQKTKKVAC-KRWDZBQOSA-N 0 3 341.459 2.139 10 70 EEIEHN CCc1ccc(C(C)(C)C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160483371 463343086 /nfs/dbraw/zinc/34/30/86/463343086.db2.gz PDRJSJPRTDKWNO-SFHVURJKSA-N 0 3 332.488 2.490 10 70 EEIEHN CN1CCC(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)CC1 ZINC000161197593 463409662 /nfs/dbraw/zinc/40/96/62/463409662.db2.gz LBJCNJZRWBWFNB-UHFFFAOYSA-N 0 3 338.398 2.429 10 70 EEIEHN CCC(CC)NC(=O)C(C)S(=O)(=O)Cc1nccn1C(C)C ZINC000161212616 463410169 /nfs/dbraw/zinc/41/01/69/463410169.db2.gz FGJVGGQHNHTYJD-GFCCVEGCSA-N 0 3 329.466 2.072 10 70 EEIEHN CN(CCc1ccc(F)cc1)CCN1C(=O)NC2(CCCC2)C1=O ZINC000159562196 529933373 /nfs/dbraw/zinc/93/33/73/529933373.db2.gz SWXZEIWZJBHHTK-UHFFFAOYSA-N 0 3 333.407 2.165 10 70 EEIEHN CCN1CCCN(C(=O)N[C@@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000159797491 539518368 /nfs/dbraw/zinc/51/83/68/539518368.db2.gz HXVYSDNGXWATPL-MRXNPFEDSA-N 0 3 344.463 2.164 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(Br)s1 ZINC000159928036 225305307 /nfs/dbraw/zinc/30/53/07/225305307.db2.gz LDHTXNYEXZVXQF-JTQLQIEISA-N 0 3 347.278 2.087 10 70 EEIEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000159992634 225314776 /nfs/dbraw/zinc/31/47/76/225314776.db2.gz PYLOGYAIVPLFHY-AWEZNQCLSA-N 0 3 339.395 2.024 10 70 EEIEHN O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@H](O)CN1CCCCC1 ZINC000160172244 225353972 /nfs/dbraw/zinc/35/39/72/225353972.db2.gz QXVTWXMOXMTTTO-HNNXBMFYSA-N 0 3 344.377 2.211 10 70 EEIEHN CCOc1ccccc1N(C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000159389507 311340807 /nfs/dbraw/zinc/34/08/07/311340807.db2.gz JBRIKZXLQZJWLL-UHFFFAOYSA-N 0 3 331.460 2.265 10 70 EEIEHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cn(Cc2cccs2)nn1 ZINC000160515004 463345259 /nfs/dbraw/zinc/34/52/59/463345259.db2.gz ASWPOVVOMLPOBL-CQSZACIVSA-N 0 3 347.488 2.238 10 70 EEIEHN COCCCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160802150 463372516 /nfs/dbraw/zinc/37/25/16/463372516.db2.gz OBPULSYJCNPKDM-GJZGRUSLSA-N 0 3 330.432 2.064 10 70 EEIEHN CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160825747 463373941 /nfs/dbraw/zinc/37/39/41/463373941.db2.gz NGMDFFDCDRYVSP-KBPBESRZSA-N 0 3 343.431 2.146 10 70 EEIEHN Cc1ccc([O-])c(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000159584069 539516750 /nfs/dbraw/zinc/51/67/50/539516750.db2.gz LMDPNRJLVHKFJV-MRXNPFEDSA-N 0 3 332.444 2.418 10 70 EEIEHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCO[C@H](c2cccs2)C1 ZINC000161109080 539524837 /nfs/dbraw/zinc/52/48/37/539524837.db2.gz CYIKKLGMIXGARY-CABCVRRESA-N 0 3 335.473 2.315 10 70 EEIEHN COc1cccc(CS(=O)(=O)NC[C@H]2CCCN2CC(C)C)c1 ZINC000160293589 533533856 /nfs/dbraw/zinc/53/38/56/533533856.db2.gz OOYUQMJPTKEEKI-MRXNPFEDSA-N 0 3 340.489 2.235 10 70 EEIEHN C[C@H](CCc1ccccc1F)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160413574 463335588 /nfs/dbraw/zinc/33/55/88/463335588.db2.gz QUNCMMQNXMSYPU-WBVHZDCISA-N 0 3 336.451 2.357 10 70 EEIEHN CN(C)Cc1cccc(NC(=O)NCCc2nnc3n2CCCC3)c1 ZINC000161086648 463398808 /nfs/dbraw/zinc/39/88/08/463398808.db2.gz PYYSWZSHUJXOPD-UHFFFAOYSA-N 0 3 342.447 2.040 10 70 EEIEHN CN(C)C[C@H](NC(=O)CCC(=O)NC1CCCC1)c1ccccc1 ZINC000160547757 539522348 /nfs/dbraw/zinc/52/23/48/539522348.db2.gz UBTKNMZVFCOBGP-KRWDZBQOSA-N 0 3 331.460 2.245 10 70 EEIEHN CC(C)(C)C[C@@H]1CCCN1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000160530242 463346436 /nfs/dbraw/zinc/34/64/36/463346436.db2.gz DTPXIEKQRYYGSD-INIZCTEOSA-N 0 3 339.524 2.114 10 70 EEIEHN O=C(Cc1ccc2ccccc2c1)NC[C@H](O)CN1CCCCC1 ZINC000160170039 206282140 /nfs/dbraw/zinc/28/21/40/206282140.db2.gz VOVIZEHIPKJUPD-IBGZPJMESA-N 0 3 326.440 2.345 10 70 EEIEHN O=C(CCCc1c[nH]c2ccccc12)NC[C@H](O)CN1CCCCC1 ZINC000160225404 206285001 /nfs/dbraw/zinc/28/50/01/206285001.db2.gz FWIHPBLHBSPHND-KRWDZBQOSA-N 0 3 343.471 2.454 10 70 EEIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(NC(=O)NC3CC3)c2)C1 ZINC000161210400 206335573 /nfs/dbraw/zinc/33/55/73/206335573.db2.gz FWMXCIGKISNLMY-DYVFJYSZSA-N 0 3 344.459 2.429 10 70 EEIEHN Cc1cccc([C@H]2CCCN2CC(=O)NC2CCN(C3CC3)CC2)n1 ZINC000159738835 311345010 /nfs/dbraw/zinc/34/50/10/311345010.db2.gz YMEPOPQJUBIDHS-LJQANCHMSA-N 0 3 342.487 2.270 10 70 EEIEHN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCN1C ZINC000160495416 311354630 /nfs/dbraw/zinc/35/46/30/311354630.db2.gz QMWCAOZKGNEHFP-KBPBESRZSA-N 0 3 327.469 2.136 10 70 EEIEHN CCCOC(=O)[C@H](C)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000160291777 463326764 /nfs/dbraw/zinc/32/67/64/463326764.db2.gz MZBMVVWAEQPMST-OAGGEKHMSA-N 0 3 326.481 2.149 10 70 EEIEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000160028753 539519441 /nfs/dbraw/zinc/51/94/41/539519441.db2.gz HCYNFVKEMUCLEN-BVBHFADKSA-N 0 3 345.487 2.357 10 70 EEIEHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1cnccn1 ZINC000159920780 206270085 /nfs/dbraw/zinc/27/00/85/206270085.db2.gz BIXVNPDFLCOQBF-YJBOKZPZSA-N 0 3 339.443 2.139 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1sccc1-n1cccc1 ZINC000159994171 206274216 /nfs/dbraw/zinc/27/42/16/206274216.db2.gz AYJXZTRBGXZVLC-AWEZNQCLSA-N 0 3 333.457 2.115 10 70 EEIEHN C[C@@H](SCc1ccccc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160122186 206281260 /nfs/dbraw/zinc/28/12/60/206281260.db2.gz CHIDBUHPCFFVHO-WBVHZDCISA-N 0 3 336.501 2.271 10 70 EEIEHN CCCCn1ncc(NC(=O)NC[C@H]2CCCN2CCOC)c1C ZINC000160079109 311349789 /nfs/dbraw/zinc/34/97/89/311349789.db2.gz JLVMLGYVBBPDOE-OAHLLOKOSA-N 0 3 337.468 2.224 10 70 EEIEHN COC(=O)c1csc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000161133365 311362773 /nfs/dbraw/zinc/36/27/73/311362773.db2.gz LRTHLUSAKXXHLD-JQWIXIFHSA-N 0 3 325.434 2.481 10 70 EEIEHN COC(=O)c1csc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000161132993 311362907 /nfs/dbraw/zinc/36/29/07/311362907.db2.gz LRTHLUSAKXXHLD-ZYHUDNBSSA-N 0 3 325.434 2.481 10 70 EEIEHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(Oc2cnccn2)cc1 ZINC000159674299 463299191 /nfs/dbraw/zinc/29/91/91/463299191.db2.gz PLURGLGDAHKIIG-UKRRQHHQSA-N 0 3 326.400 2.355 10 70 EEIEHN CC(C)NC(=O)c1ccc(C(=O)NCCN2CCCC[C@@H]2C)cc1 ZINC000160494744 206300901 /nfs/dbraw/zinc/30/09/01/206300901.db2.gz RLBRTZNJQHNOQG-HNNXBMFYSA-N 0 3 331.460 2.429 10 70 EEIEHN O=C(Cc1c(Cl)cccc1Cl)NC[C@H](O)CN1CCCCC1 ZINC000160527142 206301552 /nfs/dbraw/zinc/30/15/52/206301552.db2.gz PHKWCWPLNUIXOE-LBPRGKRZSA-N 0 3 345.270 2.499 10 70 EEIEHN CCC[C@H](C(=O)N1CCN(c2ccccc2OCC)CC1)N(C)C ZINC000161163919 311362765 /nfs/dbraw/zinc/36/27/65/311362765.db2.gz NNZBHEGFNDSXEA-QGZVFWFLSA-N 0 3 333.476 2.464 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000160234608 463324007 /nfs/dbraw/zinc/32/40/07/463324007.db2.gz ZLOUIIOZXPYUMP-FBBABVLZSA-N 0 3 342.483 2.244 10 70 EEIEHN COCCCNC(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160802277 463372611 /nfs/dbraw/zinc/37/26/11/463372611.db2.gz OBPULSYJCNPKDM-CABCVRRESA-N 0 3 330.432 2.064 10 70 EEIEHN CCC[C@@H](C(=O)N1CCC(c2nnc3ccccn32)CC1)N(C)C ZINC000161286765 539526256 /nfs/dbraw/zinc/52/62/56/539526256.db2.gz VKDRRFITGVJIBW-HNNXBMFYSA-N 0 3 329.448 2.166 10 70 EEIEHN CCCc1c(C(=O)NC[C@H](O)CN2CCCCC2)[nH]c(C)c1C(C)=O ZINC000160276199 206287925 /nfs/dbraw/zinc/28/79/25/206287925.db2.gz UWFDJTVERHTUOO-HNNXBMFYSA-N 0 3 349.475 2.055 10 70 EEIEHN O=C(CCc1c[nH]c2ccccc12)NC[C@H](O)CN1CCCCC1 ZINC000160337054 206291105 /nfs/dbraw/zinc/29/11/05/206291105.db2.gz GIMKFADOJYSXAV-INIZCTEOSA-N 0 3 329.444 2.064 10 70 EEIEHN COc1ccccc1C[C@@H](C)CC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160592560 206304768 /nfs/dbraw/zinc/30/47/68/206304768.db2.gz JBPQVTWDBWFACB-AEFFLSMTSA-N 0 3 348.487 2.227 10 70 EEIEHN Cc1cc(C[C@H](C)NC(=O)[C@H]2CCCN2Cc2ccccc2)n[nH]1 ZINC000161264432 206336909 /nfs/dbraw/zinc/33/69/09/206336909.db2.gz DCZXKDNRZYULDN-KBXCAEBGSA-N 0 3 326.444 2.430 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(-c2ccc(F)cc2)on1 ZINC000160129833 283987454 /nfs/dbraw/zinc/98/74/54/283987454.db2.gz IYAVLZPQIHHOIP-HNNXBMFYSA-N 0 3 347.390 2.057 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000159909967 206270026 /nfs/dbraw/zinc/27/00/26/206270026.db2.gz WPFSYNVMIZULBQ-QEJZJMRPSA-N 0 3 338.398 2.031 10 70 EEIEHN C[C@@H](CNC(=O)CC/C=C/c1ccccc1)CN1CCN(C)CC1 ZINC000160103344 206279028 /nfs/dbraw/zinc/27/90/28/206279028.db2.gz NZHFRFNNJSNBLE-OPUMOTSWSA-N 0 3 329.488 2.480 10 70 EEIEHN CCc1c(C(=O)Nc2cccc(CN(C)C)c2)[nH]c(C)c1C(N)=O ZINC000161348789 463423980 /nfs/dbraw/zinc/42/39/80/463423980.db2.gz GDXMBTWJZOQUEN-UHFFFAOYSA-N 0 3 328.416 2.298 10 70 EEIEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(F)cc1 ZINC000160280709 527979093 /nfs/dbraw/zinc/97/90/93/527979093.db2.gz ABEPETMEJDJCJN-MRXNPFEDSA-N 0 3 328.453 2.366 10 70 EEIEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000160311852 527980642 /nfs/dbraw/zinc/98/06/42/527980642.db2.gz DAYBXRNKYXBDPV-OAHLLOKOSA-N 0 3 338.473 2.020 10 70 EEIEHN COc1ccc([C@@H](C)N[C@@H](CCO)CSC)cc1NC(C)=O ZINC000160336524 463329835 /nfs/dbraw/zinc/32/98/35/463329835.db2.gz NPUDSSRQVHAPFP-RISCZKNCSA-N 0 3 326.462 2.418 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000160393657 463335323 /nfs/dbraw/zinc/33/53/23/463335323.db2.gz GFGVDYHTARHOMV-BBWFWOEESA-N 0 3 336.863 2.407 10 70 EEIEHN C[C@H]1CCCCN1CCNC(=O)CCc1nc(-c2ccoc2)no1 ZINC000159895048 206268090 /nfs/dbraw/zinc/26/80/90/206268090.db2.gz HXYXVFFQSJPOOL-ZDUSSCGKSA-N 0 3 332.404 2.253 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1sccc1Br ZINC000160070611 206278197 /nfs/dbraw/zinc/27/81/97/206278197.db2.gz NZDUALRRBSPGGG-JTQLQIEISA-N 0 3 347.278 2.087 10 70 EEIEHN CC(C)[C@H](O)CC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000160082448 311349723 /nfs/dbraw/zinc/34/97/23/311349723.db2.gz NBYFFSWGTFQUTP-FUHWJXTLSA-N 0 3 348.487 2.410 10 70 EEIEHN O=C(NC1CCN(c2ccccn2)CC1)c1cccc(-c2nnc[nH]2)c1 ZINC000160478308 463341413 /nfs/dbraw/zinc/34/14/13/463341413.db2.gz DUNVJAWVGPGVNV-UHFFFAOYSA-N 0 3 348.410 2.266 10 70 EEIEHN C[C@H]1C[C@@H](NC(=O)c2cnc3c(c2)ncn3C)CN1Cc1ccccc1 ZINC000160795173 463371663 /nfs/dbraw/zinc/37/16/63/463371663.db2.gz NZKDHMVWHVSSHF-WMLDXEAASA-N 0 3 349.438 2.361 10 70 EEIEHN CCOCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160807532 463373111 /nfs/dbraw/zinc/37/31/11/463373111.db2.gz SARNQSMBHFLTQF-JKSUJKDBSA-N 0 3 344.459 2.454 10 70 EEIEHN O=C(Cc1cnc[nH]1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 ZINC000217415697 241248394 /nfs/dbraw/zinc/24/83/94/241248394.db2.gz FPZMTCNYTQQPSD-UHFFFAOYSA-N 0 3 327.363 2.374 10 70 EEIEHN COc1ccccc1S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160311705 532956194 /nfs/dbraw/zinc/95/61/94/532956194.db2.gz DJRBKWDUFMOJKN-CQSZACIVSA-N 0 3 326.462 2.094 10 70 EEIEHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)[C@H]1CCCCO1 ZINC000159949722 225308340 /nfs/dbraw/zinc/30/83/40/225308340.db2.gz CEDHHMLOZIBVTO-RBUKOAKNSA-N 0 3 346.471 2.117 10 70 EEIEHN CCN1CCCC[C@H]1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159625494 463296301 /nfs/dbraw/zinc/29/63/01/463296301.db2.gz SBUHLVYMTJSLFF-INIZCTEOSA-N 0 3 333.480 2.184 10 70 EEIEHN COc1ccc(OC)c(CN2CCC(c3ccnn3CCO)CC2)c1 ZINC000160555463 463348906 /nfs/dbraw/zinc/34/89/06/463348906.db2.gz RZAGIXJVVCJKLD-UHFFFAOYSA-N 0 3 345.443 2.272 10 70 EEIEHN CCCCOc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160175582 528665278 /nfs/dbraw/zinc/66/52/78/528665278.db2.gz VPNTUGFOKWIYOR-KRWDZBQOSA-N 0 3 334.460 2.442 10 70 EEIEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000159570394 225241038 /nfs/dbraw/zinc/24/10/38/225241038.db2.gz VTMDSCWONWHCNH-FHWLQOOXSA-N 0 3 345.487 2.416 10 70 EEIEHN Cc1cc(C[C@H](C)NC(=O)[C@H](C)N2CCc3ccccc3C2)n[nH]1 ZINC000161161487 311362895 /nfs/dbraw/zinc/36/28/95/311362895.db2.gz QLXHUDQPPZQNPW-ZFWWWQNUSA-N 0 3 326.444 2.212 10 70 EEIEHN COCCN(C)CCN[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000159388298 463282740 /nfs/dbraw/zinc/28/27/40/463282740.db2.gz ZTZHJUDQZLJZHH-CYBMUJFWSA-N 0 3 337.855 2.150 10 70 EEIEHN C[C@@H]1CCCCN1CCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160577941 463351537 /nfs/dbraw/zinc/35/15/37/463351537.db2.gz AOAHLYFWEQZQEO-LLVKDONJSA-N 0 3 333.358 2.441 10 70 EEIEHN O=C(CCc1ccc(Cl)s1)NC[C@H](O)CN1CCCCC1 ZINC000160640311 463357943 /nfs/dbraw/zinc/35/79/43/463357943.db2.gz FNVIQRAXPPCNII-LBPRGKRZSA-N 0 3 330.881 2.297 10 70 EEIEHN CC(C)(C)Oc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000159989715 526579374 /nfs/dbraw/zinc/57/93/74/526579374.db2.gz NVDMQKFBMZZTEY-INIZCTEOSA-N 0 3 334.460 2.441 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(Cl)c2cccnc12 ZINC000160304397 225384444 /nfs/dbraw/zinc/38/44/44/225384444.db2.gz LNRJQCRKZGCVSW-ZDUSSCGKSA-N 0 3 347.846 2.465 10 70 EEIEHN C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCCO2)CN1Cc1ccccc1 ZINC000159857221 463307483 /nfs/dbraw/zinc/30/74/83/463307483.db2.gz KYVPELRAPKGBKR-NXHRZFHOSA-N 0 3 331.460 2.470 10 70 EEIEHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000161076479 463397759 /nfs/dbraw/zinc/39/77/59/463397759.db2.gz XBCYODIBTGBRBH-NVXWUHKLSA-N 0 3 331.460 2.265 10 70 EEIEHN CCC[C@H](C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)N(C)C ZINC000161419426 463430169 /nfs/dbraw/zinc/43/01/69/463430169.db2.gz WIAZOEUBJSQNNB-LJQANCHMSA-N 0 3 347.503 2.460 10 70 EEIEHN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160125102 533944736 /nfs/dbraw/zinc/94/47/36/533944736.db2.gz YTFYDEPKVIAFPX-HIFRSBDPSA-N 0 3 340.851 2.070 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cccc(Br)c1 ZINC000159956368 534626256 /nfs/dbraw/zinc/62/62/56/534626256.db2.gz LRLMWVPRXZWAEK-AWEZNQCLSA-N 0 3 341.249 2.026 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cnc(-c2ccccc2)s1 ZINC000160354760 534626317 /nfs/dbraw/zinc/62/63/17/534626317.db2.gz WBEFJEDCVDWBBK-HNNXBMFYSA-N 0 3 345.468 2.387 10 70 EEIEHN CC[C@H](Oc1ccccc1C)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160181969 529164827 /nfs/dbraw/zinc/16/48/27/529164827.db2.gz KXAYBMWIEKWRSJ-IRXDYDNUSA-N 0 3 334.460 2.115 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000159962232 237228676 /nfs/dbraw/zinc/22/86/76/237228676.db2.gz NUSCCVJLNVPCIY-OFQRWUPVSA-N 0 3 338.398 2.031 10 70 EEIEHN C[C@]1(C(=O)NC[C@H](O)CN2CCCCC2)CCCc2ccccc21 ZINC000160419233 273985657 /nfs/dbraw/zinc/98/56/57/273985657.db2.gz WIMDZSFTIJMPIW-PXNSSMCTSA-N 0 3 330.472 2.244 10 70 EEIEHN C[C@@H](CCc1ccccc1F)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160413429 463335957 /nfs/dbraw/zinc/33/59/57/463335957.db2.gz QUNCMMQNXMSYPU-RDJZCZTQSA-N 0 3 336.451 2.357 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1SCCc2sccc21 ZINC000160506483 463344222 /nfs/dbraw/zinc/34/42/22/463344222.db2.gz DEHUBQVJQCFZIB-WFASDCNBSA-N 0 3 340.514 2.042 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccccc1OCC1CC1 ZINC000160634389 463357180 /nfs/dbraw/zinc/35/71/80/463357180.db2.gz WJXCLCGDBIADDF-INIZCTEOSA-N 0 3 332.444 2.052 10 70 EEIEHN CN(C)Cc1cccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000161468321 463431709 /nfs/dbraw/zinc/43/17/09/463431709.db2.gz QMNDTONTTJCIOP-GOSISDBHSA-N 0 3 325.412 2.437 10 70 EEIEHN CCN1CCN(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000160001832 276194451 /nfs/dbraw/zinc/19/44/51/276194451.db2.gz LSXRXDDTEPZEIG-QGZVFWFLSA-N 0 3 345.487 2.433 10 70 EEIEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cc(C(=O)OC)cs1 ZINC000160872322 311359598 /nfs/dbraw/zinc/35/95/98/311359598.db2.gz YQSXSRHGULCKQQ-GFCCVEGCSA-N 0 3 325.434 2.483 10 70 EEIEHN CC[C@@H](Oc1cccc(C)c1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160013379 529245874 /nfs/dbraw/zinc/24/58/74/529245874.db2.gz LGIYQRHOPQANIA-FUHWJXTLSA-N 0 3 334.460 2.115 10 70 EEIEHN CN(C)C[C@H](NC(=O)c1cccc(-n2ccnn2)c1)c1ccccc1 ZINC000160546686 539522389 /nfs/dbraw/zinc/52/23/89/539522389.db2.gz SXUBIZZGRSVCCC-SFHVURJKSA-N 0 3 335.411 2.300 10 70 EEIEHN COc1cccc([C@@H](C)CC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000159904212 533698255 /nfs/dbraw/zinc/69/82/55/533698255.db2.gz DMFXGDMKADASDL-RDJZCZTQSA-N 0 3 334.460 2.152 10 70 EEIEHN C[C@@H](Cc1ccccc1Cl)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160815168 463373987 /nfs/dbraw/zinc/37/39/87/463373987.db2.gz ZTDJIPGPIYBURM-HOCLYGCPSA-N 0 3 338.879 2.482 10 70 EEIEHN CN(CCN1CCN(Cc2ccncc2)CC1)Cc1ccc(F)cc1 ZINC000161154750 463405341 /nfs/dbraw/zinc/40/53/41/463405341.db2.gz GNHLUHFZQMTTLQ-UHFFFAOYSA-N 0 3 342.462 2.470 10 70 EEIEHN C[C@@H](CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N(C)C1CC1 ZINC000161310722 463417887 /nfs/dbraw/zinc/41/78/87/463417887.db2.gz RAEFHYQFHKKBSQ-UWVGGRQHSA-N 0 3 344.381 2.132 10 70 EEIEHN CCN1CCC[C@@H]1CNC(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000160324926 539520964 /nfs/dbraw/zinc/52/09/64/539520964.db2.gz GWPFJPANVMMXTG-GFCCVEGCSA-N 0 3 347.385 2.065 10 70 EEIEHN O=C(/C=C/c1ccc2ccccc2n1)NC[C@H](O)CN1CCCCC1 ZINC000160007475 225318515 /nfs/dbraw/zinc/31/85/15/225318515.db2.gz JNTMYOIYGLLPSO-ZGKFYVQTSA-N 0 3 339.439 2.211 10 70 EEIEHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cnc3c(c2)ncn3C)C1 ZINC000160447937 276847138 /nfs/dbraw/zinc/84/71/38/276847138.db2.gz LUXUHNWLDNYYLD-OAHLLOKOSA-N 0 3 335.411 2.101 10 70 EEIEHN Cc1cccc(-n2cc(C(=O)NCCN3CCCC[C@H]3C)nn2)c1 ZINC000160253072 311351931 /nfs/dbraw/zinc/35/19/31/311351931.db2.gz WXKFQHYVKKMBEX-OAHLLOKOSA-N 0 3 327.432 2.180 10 70 EEIEHN CCN1CCCN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CC1 ZINC000159867329 529027207 /nfs/dbraw/zinc/02/72/07/529027207.db2.gz LISODCUIBYVVNQ-UHFFFAOYSA-N 0 3 336.455 2.125 10 70 EEIEHN CCN1CCC[C@H]1CNC(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000160325072 539521036 /nfs/dbraw/zinc/52/10/36/539521036.db2.gz GWPFJPANVMMXTG-LBPRGKRZSA-N 0 3 347.385 2.065 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000159910228 225299662 /nfs/dbraw/zinc/29/96/62/225299662.db2.gz WPFSYNVMIZULBQ-AEGPPILISA-N 0 3 338.398 2.031 10 70 EEIEHN C[C@@H]1C[C@H](N(C)C(=O)NCc2cn(C)nc2C(F)(F)F)CCN1C ZINC000160848310 463376113 /nfs/dbraw/zinc/37/61/13/463376113.db2.gz NABKGLJVHVRVIQ-ZYHUDNBSSA-N 0 3 347.385 2.063 10 70 EEIEHN CCN(CCc1nccs1)CCN1C(=O)c2ccccc2C1=O ZINC000159430535 528607299 /nfs/dbraw/zinc/60/72/99/528607299.db2.gz ARNYTGWXHVECIO-UHFFFAOYSA-N 0 3 329.425 2.304 10 70 EEIEHN CN(C)CCn1cc(NC(=O)N(C)Cc2cccc(N(C)C)c2)cn1 ZINC000160237192 539520472 /nfs/dbraw/zinc/52/04/72/539520472.db2.gz URXYAHGEDSEBLW-UHFFFAOYSA-N 0 3 344.463 2.175 10 70 EEIEHN CC1CCN(CCNC(=O)CCc2cc3ccccc3[nH]c2=O)CC1 ZINC000160462667 311354273 /nfs/dbraw/zinc/35/42/73/311354273.db2.gz HFVRRSPAWMUFOI-UHFFFAOYSA-N 0 3 341.455 2.309 10 70 EEIEHN C[C@H]1C[C@@H](NC(=O)N2CCC(C3CCOCC3)CC2)CN1C1CC1 ZINC000160003269 463313674 /nfs/dbraw/zinc/31/36/74/463313674.db2.gz YJUQTIDUSQQTGE-WMLDXEAASA-N 0 3 335.492 2.460 10 70 EEIEHN COc1ccc([C@H](C)CC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160652566 463359279 /nfs/dbraw/zinc/35/92/79/463359279.db2.gz FVXNNUFVEDIMHM-WBVHZDCISA-N 0 3 334.460 2.152 10 70 EEIEHN CCCN(CC)c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160090302 528011273 /nfs/dbraw/zinc/01/12/73/528011273.db2.gz BPEDKMLPLMVJDC-IBGZPJMESA-N 0 3 347.503 2.500 10 70 EEIEHN C[C@@H](C(=O)NC[C@H](O)CN1CCCCC1)c1ccc(Cl)s1 ZINC000160139412 533275245 /nfs/dbraw/zinc/27/52/45/533275245.db2.gz JESQNNGXDFYEMO-NEPJUHHUSA-N 0 3 330.881 2.468 10 70 EEIEHN CNS(=O)(=O)c1ccc([C@H](C)NC[C@@](C)(O)CCC(C)C)cc1 ZINC000159435371 463285889 /nfs/dbraw/zinc/28/58/89/463285889.db2.gz IMLHTVBGCUGZDH-YOEHRIQHSA-N 0 3 342.505 2.433 10 70 EEIEHN CCCOC(=O)[C@H](C)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160291538 463327258 /nfs/dbraw/zinc/32/72/58/463327258.db2.gz MZBMVVWAEQPMST-XHSDSOJGSA-N 0 3 326.481 2.149 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(F)c(F)cc1Cl ZINC000160604452 463353706 /nfs/dbraw/zinc/35/37/06/463353706.db2.gz BJJPJLINDJCSEA-JTQLQIEISA-N 0 3 332.778 2.195 10 70 EEIEHN COc1cccc([C@H](C)CC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000159904369 533766292 /nfs/dbraw/zinc/76/62/92/533766292.db2.gz DMFXGDMKADASDL-WBVHZDCISA-N 0 3 334.460 2.152 10 70 EEIEHN CC[C@@H](Oc1ccccc1C)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160182098 529248161 /nfs/dbraw/zinc/24/81/61/529248161.db2.gz KXAYBMWIEKWRSJ-DLBZAZTESA-N 0 3 334.460 2.115 10 70 EEIEHN CCN1CCN(c2ccc(C(=O)Nc3c[nH]c(=O)c(C)c3)cc2)CC1 ZINC000159370619 311340668 /nfs/dbraw/zinc/34/06/68/311340668.db2.gz LFEZBXHDXOMJSV-UHFFFAOYSA-N 0 3 340.427 2.078 10 70 EEIEHN C[C@@H](CCOc1ccccc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160629609 463355923 /nfs/dbraw/zinc/35/59/23/463355923.db2.gz DPPWFWRVTAKMOH-IRXDYDNUSA-N 0 3 334.460 2.055 10 70 EEIEHN C[C@@H](O)C(C)(C)NCc1cc(Br)c2c(c1)OCCO2 ZINC000161125333 463401961 /nfs/dbraw/zinc/40/19/61/463401961.db2.gz LRPXWTBRSFWYPA-SECBINFHSA-N 0 3 330.222 2.469 10 70 EEIEHN CCC[C@@H](C)NC(=O)C(C)S(=O)(=O)Cc1nccn1C(C)C ZINC000161212864 463410930 /nfs/dbraw/zinc/41/09/30/463410930.db2.gz KTNPQHZUPWOVRE-CHWSQXEVSA-N 0 3 329.466 2.072 10 70 EEIEHN C[C@@H]1CCc2sc(C(=O)NC[C@H](O)CN3CCCCC3)cc2C1 ZINC000160126072 534271210 /nfs/dbraw/zinc/27/12/10/534271210.db2.gz FCGWPBNNLAGMDY-HIFRSBDPSA-N 0 3 336.501 2.450 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000159962098 237225915 /nfs/dbraw/zinc/22/59/15/237225915.db2.gz NUSCCVJLNVPCIY-LZWOXQAQSA-N 0 3 338.398 2.031 10 70 EEIEHN CCN(CCc1nccs1)CCc1nc2ccccc2c(=O)[nH]1 ZINC000159407573 311341109 /nfs/dbraw/zinc/34/11/09/311341109.db2.gz LULODRXFTHHAEE-UHFFFAOYSA-N 0 3 328.441 2.487 10 70 EEIEHN CCn1cc([C@H](C)NCc2ccc(N3CCN(CC)CC3)nc2)cn1 ZINC000159463946 463287205 /nfs/dbraw/zinc/28/72/05/463287205.db2.gz JJKXENRBMHNTQS-INIZCTEOSA-N 0 3 342.491 2.291 10 70 EEIEHN CCN1CCCC[C@@H]1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159625360 463296220 /nfs/dbraw/zinc/29/62/20/463296220.db2.gz SBUHLVYMTJSLFF-MRXNPFEDSA-N 0 3 333.480 2.184 10 70 EEIEHN Cc1ccc(OCCC(=O)NC[C@H](O)CN2CCCCC2)cc1C ZINC000160665934 463360587 /nfs/dbraw/zinc/36/05/87/463360587.db2.gz PXIBEUXUEOGPPW-KRWDZBQOSA-N 0 3 334.460 2.035 10 70 EEIEHN C[C@H](Cc1ccccc1Cl)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160815295 463373814 /nfs/dbraw/zinc/37/38/14/463373814.db2.gz ZTDJIPGPIYBURM-ZBFHGGJFSA-N 0 3 338.879 2.482 10 70 EEIEHN Cc1ccc(OCCCC(=O)NC[C@H](O)CN2CCCCC2)cc1C ZINC000160588063 255799531 /nfs/dbraw/zinc/79/95/31/255799531.db2.gz APAJIYAIDBVYFY-SFHVURJKSA-N 0 3 348.487 2.425 10 70 EEIEHN CCC[C@@H](C(=O)N1CCN(C(=O)CCC2CCCC2)CC1)N(C)C ZINC000161470231 311366561 /nfs/dbraw/zinc/36/65/61/311366561.db2.gz SRVVXNLETSUFRR-KRWDZBQOSA-N 0 3 337.508 2.358 10 70 EEIEHN CCc1[nH]c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c(C)c1C(=O)OC ZINC000161093255 463398691 /nfs/dbraw/zinc/39/86/91/463398691.db2.gz VVTCXAYXUHJHNP-SMDDNHRTSA-N 0 3 335.448 2.131 10 70 EEIEHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CCO[C@@H](c2cccs2)C1 ZINC000161109417 539524631 /nfs/dbraw/zinc/52/46/31/539524631.db2.gz CYIKKLGMIXGARY-LSDHHAIUSA-N 0 3 335.473 2.315 10 70 EEIEHN C[C@@H](NC(=O)CN1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000161401072 539528194 /nfs/dbraw/zinc/52/81/94/539528194.db2.gz AIHUNGXQXVAGLF-OAHLLOKOSA-N 0 3 342.418 2.220 10 70 EEIEHN COCCN1CCC[C@H]1CNC(=O)c1ccc(F)c(SC)c1 ZINC000161304630 311364323 /nfs/dbraw/zinc/36/43/23/311364323.db2.gz WXPVUBDDTJBASN-ZDUSSCGKSA-N 0 3 326.437 2.388 10 70 EEIEHN CCn1cnnc1[C@H]1CCCN(Cc2cccc3c2OCCO3)C1 ZINC000161349906 463424401 /nfs/dbraw/zinc/42/44/01/463424401.db2.gz KTYKAEWQUFHRMF-HNNXBMFYSA-N 0 3 328.416 2.449 10 70 EEIEHN CC(C)N1C[C@H](NC(=O)C(C)(C)NC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000161411581 463429186 /nfs/dbraw/zinc/42/91/86/463429186.db2.gz HVJNYDZRTHIKHY-HOCLYGCPSA-N 0 3 346.475 2.432 10 70 EEIEHN CCN(Cc1ccccc1)C(=O)CN1CCN(c2ccncc2)CC1 ZINC000161302212 539526244 /nfs/dbraw/zinc/52/62/44/539526244.db2.gz GLUFGYJNQDBXOQ-UHFFFAOYSA-N 0 3 338.455 2.252 10 70 EEIEHN CCCN(C[C@H]1CCCCO1)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000161490668 539528358 /nfs/dbraw/zinc/52/83/58/539528358.db2.gz AONWLNLCOBVFNZ-MRXNPFEDSA-N 0 3 337.468 2.258 10 70 EEIEHN COc1ccccc1C[C@H](C)CC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160592436 255799464 /nfs/dbraw/zinc/79/94/64/255799464.db2.gz JBPQVTWDBWFACB-WMZOPIPTSA-N 0 3 348.487 2.227 10 70 EEIEHN CCN1CCN(CCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000160001960 463314451 /nfs/dbraw/zinc/31/44/51/463314451.db2.gz LSXRXDDTEPZEIG-KRWDZBQOSA-N 0 3 345.487 2.433 10 70 EEIEHN CCOc1ccc(OC[C@H](O)CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160593571 463352897 /nfs/dbraw/zinc/35/28/97/463352897.db2.gz BATFASSBTBFXQM-MBOZVWFJSA-N 0 3 349.471 2.452 10 70 EEIEHN COCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160802394 463373095 /nfs/dbraw/zinc/37/30/95/463373095.db2.gz OBPULSYJCNPKDM-LSDHHAIUSA-N 0 3 330.432 2.064 10 70 EEIEHN CC(C)NC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160825870 463374155 /nfs/dbraw/zinc/37/41/55/463374155.db2.gz NGMDFFDCDRYVSP-ZIAGYGMSSA-N 0 3 343.431 2.146 10 70 EEIEHN Cc1ccc(OCCCC(=O)NC[C@@H](O)CN2CCCCC2)c(C)c1 ZINC000160104694 237232010 /nfs/dbraw/zinc/23/20/10/237232010.db2.gz GVHFMFKQCBFRRI-GOSISDBHSA-N 0 3 348.487 2.425 10 70 EEIEHN COc1ccc(CN2C[C@@H](C(N)=O)CC[C@H]2C)cc1OC(F)F ZINC000159600859 463295559 /nfs/dbraw/zinc/29/55/59/463295559.db2.gz WVCSDBZBCBJYFR-PWSUYJOCSA-N 0 3 328.359 2.382 10 70 EEIEHN Cc1ccc(C)c(SCC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160484765 463342613 /nfs/dbraw/zinc/34/26/13/463342613.db2.gz SBQZPCSOEWDXPR-INIZCTEOSA-N 0 3 336.501 2.359 10 70 EEIEHN C[C@H]1C[C@H](N(C)C(=O)Nc2ccn(CC(F)(F)F)n2)CCN1C ZINC000160896761 463380132 /nfs/dbraw/zinc/38/01/32/463380132.db2.gz STWJACLVYFNLNF-WDEREUQCSA-N 0 3 333.358 2.392 10 70 EEIEHN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1C ZINC000161363549 463425861 /nfs/dbraw/zinc/42/58/61/463425861.db2.gz PYVYEHXAGAAMGI-FZMZJTMJSA-N 0 3 335.448 2.267 10 70 EEIEHN CCC[C@@H](C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)N(C)C ZINC000161419302 463430241 /nfs/dbraw/zinc/43/02/41/463430241.db2.gz WIAZOEUBJSQNNB-IBGZPJMESA-N 0 3 347.503 2.460 10 70 EEIEHN CC(C)(C)c1ncc(C(=O)NC[C@H](O)CN2CCCCC2)s1 ZINC000160062868 526878826 /nfs/dbraw/zinc/87/88/26/526878826.db2.gz AXSQLPWMVNHOIG-LBPRGKRZSA-N 0 3 325.478 2.017 10 70 EEIEHN CCc1cccc2c(CC(=O)NC[C@@H](O)CN3CCCCC3)c[nH]c21 ZINC000160109050 529550843 /nfs/dbraw/zinc/55/08/43/529550843.db2.gz FNGJXWHXRZBADP-QGZVFWFLSA-N 0 3 343.471 2.236 10 70 EEIEHN CN(C)C[C@@H](NC(=O)CCC(=O)NC1CCCC1)c1ccccc1 ZINC000160547878 539522212 /nfs/dbraw/zinc/52/22/12/539522212.db2.gz UBTKNMZVFCOBGP-QGZVFWFLSA-N 0 3 331.460 2.245 10 70 EEIEHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000159949455 225309182 /nfs/dbraw/zinc/30/91/82/225309182.db2.gz CEDHHMLOZIBVTO-OALUTQOASA-N 0 3 346.471 2.117 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000160341792 273985334 /nfs/dbraw/zinc/98/53/34/273985334.db2.gz QGQNAVZBFVEZBD-YESZJQIVSA-N 0 3 336.863 2.407 10 70 EEIEHN CCN1CCCN(C(=O)N[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000159830718 279286702 /nfs/dbraw/zinc/28/67/02/279286702.db2.gz HQPOLZVBHVUCOK-OAHLLOKOSA-N 0 3 349.475 2.372 10 70 EEIEHN Cc1cc(NC(=O)CCN2CC[C@H](CNc3ccccn3)C2)no1 ZINC000160904137 463380831 /nfs/dbraw/zinc/38/08/31/463380831.db2.gz XXNGZMJEOFHJER-CQSZACIVSA-N 0 3 329.404 2.141 10 70 EEIEHN CCC[C@H](C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1)N(C)C ZINC000160028381 527982302 /nfs/dbraw/zinc/98/23/02/527982302.db2.gz UHHYNWHOTIAWIG-RTBURBONSA-N 0 3 347.503 2.215 10 70 EEIEHN Cc1ccc(-n2cc(C(=O)NC[C@H]3CCCN3CC(C)C)nn2)cc1 ZINC000160524036 311355054 /nfs/dbraw/zinc/35/50/54/311355054.db2.gz VFVPVBYGCLNRLC-QGZVFWFLSA-N 0 3 341.459 2.426 10 70 EEIEHN CN(CCN1CCN(C2CCOCC2)CC1)Cc1ccc(F)cc1 ZINC000159971070 463312456 /nfs/dbraw/zinc/31/24/56/463312456.db2.gz FPLWOYGQHFYDNV-UHFFFAOYSA-N 0 3 335.467 2.054 10 70 EEIEHN CCn1cc(CC(=O)NC[C@H](O)CN2CCCCC2)c2ccccc21 ZINC000160394335 463334965 /nfs/dbraw/zinc/33/49/65/463334965.db2.gz VFHMZACCOBBNHR-KRWDZBQOSA-N 0 3 343.471 2.167 10 70 EEIEHN C[C@@H]1CCc2c(C(=O)NC[C@H](O)CN3CCCCC3)csc2C1 ZINC000160496454 463343849 /nfs/dbraw/zinc/34/38/49/463343849.db2.gz XOPWQXOHGOKLOE-KGLIPLIRSA-N 0 3 336.501 2.450 10 70 EEIEHN CCCN(C)c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160590333 463353089 /nfs/dbraw/zinc/35/30/89/463353089.db2.gz DLDZSYCOUQKFAW-SFHVURJKSA-N 0 3 333.476 2.109 10 70 EEIEHN CC(C)N(C)CC(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000161165837 463406679 /nfs/dbraw/zinc/40/66/79/463406679.db2.gz VZNPQDKETSGUOY-UHFFFAOYSA-N 0 3 326.387 2.427 10 70 EEIEHN CCn1cnnc1[C@@H]1CCCN(Cc2cccc(C(=O)OC)c2)C1 ZINC000161307786 463418291 /nfs/dbraw/zinc/41/82/91/463418291.db2.gz DRARCGAXGXXFIY-MRXNPFEDSA-N 0 3 328.416 2.464 10 70 EEIEHN C[C@H](SCc1ccccc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160122062 225342687 /nfs/dbraw/zinc/34/26/87/225342687.db2.gz CHIDBUHPCFFVHO-RDJZCZTQSA-N 0 3 336.501 2.271 10 70 EEIEHN C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CC3)CC2)CN1Cc1ccccc1 ZINC000160036114 311349379 /nfs/dbraw/zinc/34/93/79/311349379.db2.gz ZFNHUBFZDBAHML-SJLPKXTDSA-N 0 3 342.487 2.139 10 70 EEIEHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cn(Cc2ccccc2)nn1 ZINC000160416238 463337202 /nfs/dbraw/zinc/33/72/02/463337202.db2.gz RCXVWYXKCCHVDM-QGZVFWFLSA-N 0 3 341.459 2.177 10 70 EEIEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160449597 463339829 /nfs/dbraw/zinc/33/98/29/463339829.db2.gz AUXYZKHGISDEMP-LLVKDONJSA-N 0 3 333.358 2.393 10 70 EEIEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160449713 463340373 /nfs/dbraw/zinc/34/03/73/463340373.db2.gz AUXYZKHGISDEMP-NSHDSACASA-N 0 3 333.358 2.393 10 70 EEIEHN CC(C)(C)C[C@H]1CCCN1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000160530367 463347129 /nfs/dbraw/zinc/34/71/29/463347129.db2.gz DTPXIEKQRYYGSD-MRXNPFEDSA-N 0 3 339.524 2.114 10 70 EEIEHN CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160596736 463354152 /nfs/dbraw/zinc/35/41/52/463354152.db2.gz MHZYMOYCWFLYJO-OKILXGFUSA-N 0 3 327.428 2.461 10 70 EEIEHN Cc1cc(C[C@@H](C)NC(=O)[C@H]2CCCN2Cc2ccccc2)n[nH]1 ZINC000161264300 463414416 /nfs/dbraw/zinc/41/44/16/463414416.db2.gz DCZXKDNRZYULDN-RDTXWAMCSA-N 0 3 326.444 2.430 10 70 EEIEHN CCN(CCNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)C1CC1 ZINC000159391343 528501434 /nfs/dbraw/zinc/50/14/34/528501434.db2.gz NJVVJIGBQPLINT-SNVBAGLBSA-N 0 3 344.381 2.134 10 70 EEIEHN CCN1CCCN(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000159996207 539519526 /nfs/dbraw/zinc/51/95/26/539519526.db2.gz QVHZBSURLDWAPS-HNNXBMFYSA-N 0 3 342.447 2.066 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000160393787 463334441 /nfs/dbraw/zinc/33/44/41/463334441.db2.gz GFGVDYHTARHOMV-YESZJQIVSA-N 0 3 336.863 2.407 10 70 EEIEHN C[C@H](CCOc1ccccc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160629732 463356589 /nfs/dbraw/zinc/35/65/89/463356589.db2.gz DPPWFWRVTAKMOH-SJORKVTESA-N 0 3 334.460 2.055 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(Cl)cc2cccnc21 ZINC000160162350 225351723 /nfs/dbraw/zinc/35/17/23/225351723.db2.gz PYILVQQCWDIRQU-HNNXBMFYSA-N 0 3 347.846 2.465 10 70 EEIEHN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000161226320 311363539 /nfs/dbraw/zinc/36/35/39/311363539.db2.gz HSVZDHGTYFWKEO-ULQDDVLXSA-N 0 3 339.524 2.364 10 70 EEIEHN C[C@H]1C[C@H](NC(=O)N2CCC(C3CCOCC3)CC2)CN1C1CC1 ZINC000160003002 463314269 /nfs/dbraw/zinc/31/42/69/463314269.db2.gz YJUQTIDUSQQTGE-YOEHRIQHSA-N 0 3 335.492 2.460 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000160563479 463350244 /nfs/dbraw/zinc/35/02/44/463350244.db2.gz KVBCLDYJTHNRIS-SOUVJXGZSA-N 0 3 338.398 2.031 10 70 EEIEHN O=C(CCSc1ccccc1F)NC[C@H](O)CN1CCCCC1 ZINC000160051994 534442610 /nfs/dbraw/zinc/44/26/10/534442610.db2.gz QTQPCGYXWNCPQJ-AWEZNQCLSA-N 0 3 340.464 2.271 10 70 EEIEHN Cc1cc(C)c(C)c(OCCC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000159917269 237228304 /nfs/dbraw/zinc/22/83/04/237228304.db2.gz UKEFUVSAKVAADH-SFHVURJKSA-N 0 3 348.487 2.344 10 70 EEIEHN COc1cc([C@H](C)NC[C@@H]2CCCC[C@@H]2O)ccc1S(C)(=O)=O ZINC000160541263 463348169 /nfs/dbraw/zinc/34/81/69/463348169.db2.gz FZGIIUREPIIFDN-QEJZJMRPSA-N 0 3 341.473 2.300 10 70 EEIEHN O=C(CCSc1ccc(F)cc1)NC[C@H](O)CN1CCCCC1 ZINC000160202693 237236875 /nfs/dbraw/zinc/23/68/75/237236875.db2.gz WUHDPXNLKXVNJI-HNNXBMFYSA-N 0 3 340.464 2.271 10 70 EEIEHN CCN1CCCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000159466870 276163363 /nfs/dbraw/zinc/16/33/63/276163363.db2.gz AMOCYQRZBLGTPB-NSHDSACASA-N 0 3 344.381 2.088 10 70 EEIEHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(Oc2cnccn2)cc1 ZINC000159674439 463298273 /nfs/dbraw/zinc/29/82/73/463298273.db2.gz PLURGLGDAHKIIG-DZGCQCFKSA-N 0 3 326.400 2.355 10 70 EEIEHN CCc1ccc(C(=O)CCC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160006581 206274467 /nfs/dbraw/zinc/27/44/67/206274467.db2.gz SGCYFNWTFBGIIO-GOSISDBHSA-N 0 3 346.471 2.175 10 70 EEIEHN CC[C@H](C)Oc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160360699 206293129 /nfs/dbraw/zinc/29/31/29/206293129.db2.gz ABKXUTADSXNCAD-RDJZCZTQSA-N 0 3 334.460 2.441 10 70 EEIEHN CC(C)CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159842935 311347183 /nfs/dbraw/zinc/34/71/83/311347183.db2.gz GGFYYEYCUSFINX-HUUCEWRRSA-N 0 3 329.448 2.469 10 70 EEIEHN COc1ccc([C@@H](C)CC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160652458 533091984 /nfs/dbraw/zinc/09/19/84/533091984.db2.gz FVXNNUFVEDIMHM-RDJZCZTQSA-N 0 3 334.460 2.152 10 70 EEIEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000161175736 311363474 /nfs/dbraw/zinc/36/34/74/311363474.db2.gz JZUGRFYALLTPFY-QGZVFWFLSA-N 0 3 331.460 2.285 10 70 EEIEHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@@](C)(O)CCC(C)C)c1 ZINC000159391348 463284352 /nfs/dbraw/zinc/28/43/52/463284352.db2.gz WJZANPJUIXXRKA-PBHICJAKSA-N 0 3 342.505 2.433 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(-n2cccc2)c(F)c1 ZINC000160365794 463331295 /nfs/dbraw/zinc/33/12/95/463331295.db2.gz LYSMOMCCGAJWPY-INIZCTEOSA-N 0 3 345.418 2.193 10 70 EEIEHN CC(C)(C)c1ccc(OCC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160454601 463339894 /nfs/dbraw/zinc/33/98/94/463339894.db2.gz XSIGGBBLFQEZQY-KRWDZBQOSA-N 0 3 348.487 2.326 10 70 EEIEHN C[C@@H]1C[C@@H](NC(=O)c2cnc3c(c2)ncn3C)CN1Cc1ccccc1 ZINC000160795049 463371955 /nfs/dbraw/zinc/37/19/55/463371955.db2.gz NZKDHMVWHVSSHF-RHSMWYFYSA-N 0 3 349.438 2.361 10 70 EEIEHN COC(=O)[C@H]1CCCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000159585377 284328811 /nfs/dbraw/zinc/32/88/11/284328811.db2.gz FDOVLYQOZBSRNE-WBVHZDCISA-N 0 3 347.459 2.102 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(F)cc(C(F)(F)F)c1 ZINC000160207914 206284354 /nfs/dbraw/zinc/28/43/54/206284354.db2.gz VBHMAVPSXAYVKC-AWEZNQCLSA-N 0 3 348.340 2.421 10 70 EEIEHN CCN(CC)[C@H](C(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000160269647 206287798 /nfs/dbraw/zinc/28/77/98/206287798.db2.gz FCUABZHLCZRCKZ-OALUTQOASA-N 0 3 347.503 2.033 10 70 EEIEHN COC(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000159585634 277085342 /nfs/dbraw/zinc/08/53/42/277085342.db2.gz FDOVLYQOZBSRNE-NVXWUHKLSA-N 0 3 347.459 2.102 10 70 EEIEHN CCC(CC)(CNCC(=O)N1CCC(c2ccccc2)=N1)C(=O)OC ZINC000159675349 311344612 /nfs/dbraw/zinc/34/46/12/311344612.db2.gz MOMQMIJJNVQZST-UHFFFAOYSA-N 0 3 345.443 2.192 10 70 EEIEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccnc(OCC(F)F)c1 ZINC000160245935 311351894 /nfs/dbraw/zinc/35/18/94/311351894.db2.gz AMORJPQAJSXDGE-CYBMUJFWSA-N 0 3 329.391 2.432 10 70 EEIEHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cnn(-c3ccccn3)c1C)CC2 ZINC000160356966 463330600 /nfs/dbraw/zinc/33/06/00/463330600.db2.gz ZQWLZADZTJEJII-DOMZBBRYSA-N 0 3 337.431 2.141 10 70 EEIEHN CCC(CC)CNC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000160550992 463349538 /nfs/dbraw/zinc/34/95/38/463349538.db2.gz KTGLXCDNHLPEGL-UHFFFAOYSA-N 0 3 347.507 2.411 10 70 EEIEHN CC(C)(C)c1ccccc1OCC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160073033 526800616 /nfs/dbraw/zinc/80/06/16/526800616.db2.gz JASDFPDLPDQTGJ-INIZCTEOSA-N 0 3 348.487 2.326 10 70 EEIEHN CC(C)OC(=O)CCCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000159522808 206250449 /nfs/dbraw/zinc/25/04/49/206250449.db2.gz DUODQXYXMLGHJH-INIZCTEOSA-N 0 3 335.448 2.320 10 70 EEIEHN C[C@H]1CCCCN1CCNC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000159899234 206270499 /nfs/dbraw/zinc/27/04/99/206270499.db2.gz WBNKPYOXOQXQOH-LBPRGKRZSA-N 0 3 331.391 2.271 10 70 EEIEHN Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160149521 206282120 /nfs/dbraw/zinc/28/21/20/206282120.db2.gz OZTCCBICKQZJKZ-INIZCTEOSA-N 0 3 345.418 2.259 10 70 EEIEHN C[C@@H]1CCCCN1CCNC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160495445 311354694 /nfs/dbraw/zinc/35/46/94/311354694.db2.gz TXBOFQOXTISFQY-OAHLLOKOSA-N 0 3 341.455 2.451 10 70 EEIEHN CCC[C@@H](C(=O)N1CCN(c2ccccc2OCC)CC1)N(C)C ZINC000161163785 311362753 /nfs/dbraw/zinc/36/27/53/311362753.db2.gz NNZBHEGFNDSXEA-KRWDZBQOSA-N 0 3 333.476 2.464 10 70 EEIEHN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)N2CCc3ccccc3C2)n[nH]1 ZINC000161161383 311362785 /nfs/dbraw/zinc/36/27/85/311362785.db2.gz QLXHUDQPPZQNPW-HIFRSBDPSA-N 0 3 326.444 2.212 10 70 EEIEHN Cn1cnc2cc(C(=O)N3CCC[C@@H]3CN3CCCCC3)cnc21 ZINC000160354727 463330311 /nfs/dbraw/zinc/33/03/11/463330311.db2.gz QQLWHVXTBHQNAZ-OAHLLOKOSA-N 0 3 327.432 2.059 10 70 EEIEHN CC(C)(C)c1ccc(OCC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160454739 463339736 /nfs/dbraw/zinc/33/97/36/463339736.db2.gz XSIGGBBLFQEZQY-QGZVFWFLSA-N 0 3 348.487 2.326 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000160232078 295676684 /nfs/dbraw/zinc/67/66/84/295676684.db2.gz AVCFEEPTTQDADI-MELADBBJSA-N 0 3 338.398 2.031 10 70 EEIEHN CCC[C@H](C(=O)N1CCC(c2nnc3ccccn32)CC1)N(C)C ZINC000161286888 539526082 /nfs/dbraw/zinc/52/60/82/539526082.db2.gz VKDRRFITGVJIBW-OAHLLOKOSA-N 0 3 329.448 2.166 10 70 EEIEHN COc1ccccc1N1CC[C@H](NC(=O)N(CCN(C)C)C(C)C)C1 ZINC000159599282 206254536 /nfs/dbraw/zinc/25/45/36/206254536.db2.gz LOTQEEAWMSRAKQ-INIZCTEOSA-N 0 3 348.491 2.256 10 70 EEIEHN Cc1cccc(OCCC(=O)NC[C@H](O)CN2CCCCC2)c1C ZINC000160021109 206275784 /nfs/dbraw/zinc/27/57/84/206275784.db2.gz MVYJSCUTICKXEH-KRWDZBQOSA-N 0 3 334.460 2.035 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000160461895 206298697 /nfs/dbraw/zinc/29/86/97/206298697.db2.gz QBKQRGNKSOSJET-AWEZNQCLSA-N 0 3 330.350 2.282 10 70 EEIEHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@@H](CO)c2ccccc2)c1 ZINC000161506407 206353058 /nfs/dbraw/zinc/35/30/58/206353058.db2.gz GEQAMAHINWXKJP-YOEHRIQHSA-N 0 3 348.468 2.021 10 70 EEIEHN Cc1cnccc1CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000159827521 206264598 /nfs/dbraw/zinc/26/45/98/206264598.db2.gz JLWFYQOASLSRKR-IBGZPJMESA-N 0 3 340.471 2.405 10 70 EEIEHN COc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1NC(C)=O ZINC000160501820 206300571 /nfs/dbraw/zinc/30/05/71/206300571.db2.gz UNWMMTRFJDOTSN-XHDPSFHLSA-N 0 3 343.431 2.219 10 70 EEIEHN C[C@H](CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N(C)C1CC1 ZINC000161310609 279341223 /nfs/dbraw/zinc/34/12/23/279341223.db2.gz RAEFHYQFHKKBSQ-NXEZZACHSA-N 0 3 344.381 2.132 10 70 EEIEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000161495998 311366586 /nfs/dbraw/zinc/36/65/86/311366586.db2.gz PTMIJGGINASSTJ-SFHVURJKSA-N 0 3 349.438 2.374 10 70 EEIEHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(-n2cccc2)c(F)c1 ZINC000160365914 463332058 /nfs/dbraw/zinc/33/20/58/463332058.db2.gz LYSMOMCCGAJWPY-MRXNPFEDSA-N 0 3 345.418 2.193 10 70 EEIEHN CCN1CCC[C@H](NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000160397862 463335311 /nfs/dbraw/zinc/33/53/11/463335311.db2.gz QQAARLDABIDAJI-DOTOQJQBSA-N 0 3 333.432 2.460 10 70 EEIEHN C[C@@H]1CCCN(CCNC(=O)c2cc(N3CCCC3=O)ccc2F)C1 ZINC000160585170 463353055 /nfs/dbraw/zinc/35/30/55/463353055.db2.gz AIOWKMUZHJRVEI-CQSZACIVSA-N 0 3 347.434 2.414 10 70 EEIEHN COC(=O)[C@@H]1CCCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000159585511 284005974 /nfs/dbraw/zinc/00/59/74/284005974.db2.gz FDOVLYQOZBSRNE-DOTOQJQBSA-N 0 3 347.459 2.102 10 70 EEIEHN C[C@H]1CCCCN1CCNC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000159898874 206270587 /nfs/dbraw/zinc/27/05/87/206270587.db2.gz ZPLGMQFSAHTBQL-AWEZNQCLSA-N 0 3 332.448 2.384 10 70 EEIEHN CC(C)CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159842826 311346823 /nfs/dbraw/zinc/34/68/23/311346823.db2.gz GGFYYEYCUSFINX-GJZGRUSLSA-N 0 3 329.448 2.469 10 70 EEIEHN CC(C)N(CCN(C)C)C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000159698456 463299876 /nfs/dbraw/zinc/29/98/76/463299876.db2.gz VTABWDIDVKVGQI-HNNXBMFYSA-N 0 3 344.463 2.310 10 70 EEIEHN C[C@@H]1CCCN(CCNC(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000159903419 143804255 /nfs/dbraw/zinc/80/42/55/143804255.db2.gz VGCXDFOKKUXZFS-GFCCVEGCSA-N 0 3 345.365 2.484 10 70 EEIEHN CC(C)[C@@H](O)CC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000160082752 311349791 /nfs/dbraw/zinc/34/97/91/311349791.db2.gz NBYFFSWGTFQUTP-AEFFLSMTSA-N 0 3 348.487 2.410 10 70 EEIEHN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000160248951 529632156 /nfs/dbraw/zinc/63/21/56/529632156.db2.gz QNFVTDAFTRPZLF-ULQDDVLXSA-N 0 3 337.508 2.262 10 70 EEIEHN Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)c(Cl)cc1F ZINC000160334797 273985101 /nfs/dbraw/zinc/98/51/01/273985101.db2.gz SORCGEQUKQMAPC-GFCCVEGCSA-N 0 3 328.815 2.364 10 70 EEIEHN Cc1cccc(-n2cc(C(=O)NCCN3CCCC[C@@H]3C)nn2)c1 ZINC000160252927 311351821 /nfs/dbraw/zinc/35/18/21/311351821.db2.gz WXKFQHYVKKMBEX-HNNXBMFYSA-N 0 3 327.432 2.180 10 70 EEIEHN CC[C@H](NCc1ccc(CN2CCOCC2)cc1)c1cnn(C)c1 ZINC000160570000 463350070 /nfs/dbraw/zinc/35/00/70/463350070.db2.gz IGYHIJYHIFEPFP-IBGZPJMESA-N 0 3 328.460 2.493 10 70 EEIEHN CC(C)N(CCN(C)C)C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000159534972 528896514 /nfs/dbraw/zinc/89/65/14/528896514.db2.gz WOGQOOWYPMFDGO-UHFFFAOYSA-N 0 3 330.432 2.010 10 70 EEIEHN Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160031149 533636271 /nfs/dbraw/zinc/63/62/71/533636271.db2.gz MRBHMJFBAVOLSO-KRWDZBQOSA-N 0 3 348.487 2.460 10 70 EEIEHN CCC[C@@H](C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1)N(C)C ZINC000160028027 463316094 /nfs/dbraw/zinc/31/60/94/463316094.db2.gz UHHYNWHOTIAWIG-OALUTQOASA-N 0 3 347.503 2.215 10 70 EEIEHN C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160421662 463336778 /nfs/dbraw/zinc/33/67/78/463336778.db2.gz JSSXEIAYPADOFP-KBPBESRZSA-N 0 3 340.851 2.070 10 70 EEIEHN CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000161090777 463398328 /nfs/dbraw/zinc/39/83/28/463398328.db2.gz KRFPDEVQVHYTOL-OAHLLOKOSA-N 0 3 337.468 2.258 10 70 EEIEHN Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c([O-])c1 ZINC000159578056 539516694 /nfs/dbraw/zinc/51/66/94/539516694.db2.gz MCMZTHJCWAMSJM-INIZCTEOSA-N 0 3 332.444 2.418 10 70 EEIEHN O=C(Cc1cc(Cl)ccc1Cl)NC[C@H](O)CN1CCCCC1 ZINC000160417706 273985768 /nfs/dbraw/zinc/98/57/68/273985768.db2.gz SXFGGIRAHPYFIE-AWEZNQCLSA-N 0 3 345.270 2.499 10 70 EEIEHN CCC[C@@H](C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1)N(C)C ZINC000160028244 276268959 /nfs/dbraw/zinc/26/89/59/276268959.db2.gz UHHYNWHOTIAWIG-RBUKOAKNSA-N 0 3 347.503 2.215 10 70 EEIEHN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000161226572 311363852 /nfs/dbraw/zinc/36/38/52/311363852.db2.gz HSVZDHGTYFWKEO-BBWFWOEESA-N 0 3 339.524 2.364 10 70 EEIEHN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCCN2Cc2ccccc2)n[nH]1 ZINC000161264145 463414501 /nfs/dbraw/zinc/41/45/01/463414501.db2.gz DCZXKDNRZYULDN-KSSFIOAISA-N 0 3 326.444 2.430 10 70 EEIEHN Cc1cccc(CSCC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160034122 237231084 /nfs/dbraw/zinc/23/10/84/237231084.db2.gz CIEJNJPVLOSZLF-KRWDZBQOSA-N 0 3 336.501 2.191 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1SCCc2sccc21 ZINC000160506365 463343863 /nfs/dbraw/zinc/34/38/63/463343863.db2.gz DEHUBQVJQCFZIB-SWLSCSKDSA-N 0 3 340.514 2.042 10 70 EEIEHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nn2c(nccc2=O)s1 ZINC000160245201 225368844 /nfs/dbraw/zinc/36/88/44/225368844.db2.gz OMPOEMQKIXIQFH-JSGCOSHPSA-N 0 3 341.440 2.083 10 70 EEIEHN Cc1nc(-c2ccco2)ccc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160115420 225342058 /nfs/dbraw/zinc/34/20/58/225342058.db2.gz AORRERCXCCVYSR-HNNXBMFYSA-N 0 3 343.427 2.227 10 70 EEIEHN Cc1onc(-c2ccccc2)c1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160170672 225352821 /nfs/dbraw/zinc/35/28/21/225352821.db2.gz XNUDCEXKWIAQRT-INIZCTEOSA-N 0 3 343.427 2.227 10 70 EEIEHN C[C@H]1CCCN(CCNC(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000159903578 463310298 /nfs/dbraw/zinc/31/02/98/463310298.db2.gz VGCXDFOKKUXZFS-LBPRGKRZSA-N 0 3 345.365 2.484 10 70 EEIEHN C[C@H](CCc1cccc(F)c1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160414059 463336196 /nfs/dbraw/zinc/33/61/96/463336196.db2.gz ORPSZGZHCANJEH-QAPCUYQASA-N 0 3 336.451 2.357 10 70 EEIEHN C[C@H]1CCc2c(C(=O)NC[C@H](O)CN3CCCCC3)csc2C1 ZINC000160496561 463343737 /nfs/dbraw/zinc/34/37/37/463343737.db2.gz XOPWQXOHGOKLOE-KBPBESRZSA-N 0 3 336.501 2.450 10 70 EEIEHN COc1cccc(CN(C)C(=O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000161180654 463408004 /nfs/dbraw/zinc/40/80/04/463408004.db2.gz WWYFRJMZBIVNBY-XLIONFOSSA-N 0 3 346.471 2.281 10 70 EEIEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1cnccn1 ZINC000159920643 225303815 /nfs/dbraw/zinc/30/38/15/225303815.db2.gz BIXVNPDFLCOQBF-QAPCUYQASA-N 0 3 339.443 2.139 10 70 EEIEHN CC(C)[C@H](O)CC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000160082647 311349482 /nfs/dbraw/zinc/34/94/82/311349482.db2.gz NBYFFSWGTFQUTP-SJLPKXTDSA-N 0 3 348.487 2.410 10 70 EEIEHN COCCN(C)CCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000159388185 463283388 /nfs/dbraw/zinc/28/33/88/463283388.db2.gz ZTZHJUDQZLJZHH-ZDUSSCGKSA-N 0 3 337.855 2.150 10 70 EEIEHN O=C(NC1CCN(C2CC2)CC1)c1cc(N2CCCC2=O)ccc1F ZINC000159368458 539516169 /nfs/dbraw/zinc/51/61/69/539516169.db2.gz GEUHKULFWNITKM-UHFFFAOYSA-N 0 3 345.418 2.309 10 70 EEIEHN COc1ccccc1/C(C)=C/C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160488882 463343215 /nfs/dbraw/zinc/34/32/15/463343215.db2.gz KIIUFJOZDKFCBV-STTHAQSSSA-N 0 3 332.444 2.062 10 70 EEIEHN O=C(Cc1ccc2c(c1)CCCC2)NC[C@H](O)CN1CCCCC1 ZINC000160554097 463349771 /nfs/dbraw/zinc/34/97/71/463349771.db2.gz BZYUSEBEOQBIMZ-IBGZPJMESA-N 0 3 330.472 2.071 10 70 EEIEHN CC(C)N1C[C@H](NC(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](C)C1 ZINC000160844504 463375803 /nfs/dbraw/zinc/37/58/03/463375803.db2.gz OPZZLGBABNAIEW-QWRGUYRKSA-N 0 3 333.358 2.296 10 70 EEIEHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@@H](CO)c2ccccc2)c1 ZINC000161506498 463435719 /nfs/dbraw/zinc/43/57/19/463435719.db2.gz GEQAMAHINWXKJP-PBHICJAKSA-N 0 3 348.468 2.021 10 70 EEIEHN CC1CCN(CCNC(=O)c2cc(N3CCCC3=O)ccc2F)CC1 ZINC000160550783 463349402 /nfs/dbraw/zinc/34/94/02/463349402.db2.gz FKSLVJVGSJWTEU-UHFFFAOYSA-N 0 3 347.434 2.414 10 70 EEIEHN C[C@H](NC[C@@H]1CCCC[C@@H]1O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160548942 463349740 /nfs/dbraw/zinc/34/97/40/463349740.db2.gz MPAACMJOOFFTBQ-WHOFXGATSA-N 0 3 329.437 2.431 10 70 EEIEHN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1C ZINC000161363411 463425424 /nfs/dbraw/zinc/42/54/24/463425424.db2.gz PYVYEHXAGAAMGI-SMDDNHRTSA-N 0 3 335.448 2.267 10 70 EEIEHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@H](CO)c2ccccc2)c1 ZINC000161506744 463435936 /nfs/dbraw/zinc/43/59/36/463435936.db2.gz GEQAMAHINWXKJP-RHSMWYFYSA-N 0 3 348.468 2.021 10 70 EEIEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)C1Cc2ccccc2C1 ZINC000160309667 539521481 /nfs/dbraw/zinc/52/14/81/539521481.db2.gz AGHZYXPFDCLNJW-QGZVFWFLSA-N 0 3 336.501 2.194 10 70 EEIEHN CCC[C@H](C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C)N(C)C ZINC000160373134 463332143 /nfs/dbraw/zinc/33/21/43/463332143.db2.gz TXJUCFVOKNXBNW-RYQLBKOJSA-N 0 3 332.492 2.139 10 70 EEIEHN COc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1NC(C)=O ZINC000160502051 463344792 /nfs/dbraw/zinc/34/47/92/463344792.db2.gz UNWMMTRFJDOTSN-IAQYHMDHSA-N 0 3 343.431 2.219 10 70 EEIEHN CCN(CCNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)C1CC1 ZINC000159391488 528502704 /nfs/dbraw/zinc/50/27/04/528502704.db2.gz NJVVJIGBQPLINT-JTQLQIEISA-N 0 3 344.381 2.134 10 70 EEIEHN CCN1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000159973884 529029569 /nfs/dbraw/zinc/02/95/69/529029569.db2.gz KBSLCVAVJRUGIC-MRXNPFEDSA-N 0 3 346.475 2.011 10 70 EEIEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000161495900 311366656 /nfs/dbraw/zinc/36/66/56/311366656.db2.gz PTMIJGGINASSTJ-GOSISDBHSA-N 0 3 349.438 2.374 10 70 EEIEHN CCN(C(=O)NCC1(C)COC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000160188462 463322193 /nfs/dbraw/zinc/32/21/93/463322193.db2.gz JUEDDLONQRYFMR-QGZVFWFLSA-N 0 3 331.460 2.329 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000160406660 463335570 /nfs/dbraw/zinc/33/55/70/463335570.db2.gz WHRXDGVEXSLTJV-ZDUSSCGKSA-N 0 3 346.349 2.162 10 70 EEIEHN COCCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160433218 463339086 /nfs/dbraw/zinc/33/90/86/463339086.db2.gz YAELMHJHWCVDDO-HIFRSBDPSA-N 0 3 326.387 2.153 10 70 EEIEHN C[C@H]1CCCN(CCNC(=O)c2cc(N3CCCC3=O)ccc2F)C1 ZINC000160585264 463352451 /nfs/dbraw/zinc/35/24/51/463352451.db2.gz AIOWKMUZHJRVEI-AWEZNQCLSA-N 0 3 347.434 2.414 10 70 EEIEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160644068 463358516 /nfs/dbraw/zinc/35/85/16/463358516.db2.gz PUFAVGXPPMTCNV-INIZCTEOSA-N 0 3 342.447 2.430 10 70 EEIEHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000160934919 463383656 /nfs/dbraw/zinc/38/36/56/463383656.db2.gz JJJIZADAACOKRB-NJZAAPMLSA-N 0 3 337.851 2.325 10 70 EEIEHN Cc1sc(-c2ccco2)nc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000159973279 237225863 /nfs/dbraw/zinc/22/58/63/237225863.db2.gz ZMKOOAHBIXEOCQ-ZDUSSCGKSA-N 0 3 349.456 2.288 10 70 EEIEHN O=C(CSc1ccc(F)c(F)c1)NC[C@H](O)CN1CCCCC1 ZINC000160278938 225377731 /nfs/dbraw/zinc/37/77/31/225377731.db2.gz PDRNVUMVUCQGGU-LBPRGKRZSA-N 0 3 344.427 2.020 10 70 EEIEHN C[C@H](C(=O)NC[C@H](O)CN1CCCCC1)c1ccc(Cl)s1 ZINC000160139292 225346874 /nfs/dbraw/zinc/34/68/74/225346874.db2.gz JESQNNGXDFYEMO-RYUDHWBXSA-N 0 3 330.881 2.468 10 70 EEIEHN C[C@H]1C[C@@H](NC(=O)N2CCN(C3CC3)CC2)CN1Cc1ccccc1 ZINC000160036228 311349280 /nfs/dbraw/zinc/34/92/80/311349280.db2.gz ZFNHUBFZDBAHML-FUHWJXTLSA-N 0 3 342.487 2.139 10 70 EEIEHN CCC[C@@H](C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1)N(C)C ZINC000160272775 528840214 /nfs/dbraw/zinc/84/02/14/528840214.db2.gz PQUIQQPQVMXNJQ-HNNXBMFYSA-N 0 3 338.883 2.110 10 70 EEIEHN COC[C@@H](O)CNCc1ccc(Br)c2cccnc12 ZINC000160328634 225388261 /nfs/dbraw/zinc/38/82/61/225388261.db2.gz GCIIFJKDMUMXEL-NSHDSACASA-N 0 3 325.206 2.094 10 70 EEIEHN COC(=O)c1csc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000160704975 311357953 /nfs/dbraw/zinc/35/79/53/311357953.db2.gz SKSJJDRBTVDQFW-JQWIXIFHSA-N 0 3 325.434 2.385 10 70 EEIEHN Cc1[nH]c2ccc(C(=O)NC[C@H](O)CN3CCCCC3)cc2c1C ZINC000160700949 463363538 /nfs/dbraw/zinc/36/35/38/463363538.db2.gz QVJRQCIDAOTEQX-INIZCTEOSA-N 0 3 329.444 2.361 10 70 EEIEHN CC[C@@](C)(O)CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000160713150 463364277 /nfs/dbraw/zinc/36/42/77/463364277.db2.gz FHTFHMBOOFHVOJ-QGZVFWFLSA-N 0 3 336.867 2.266 10 70 EEIEHN Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCCN2Cc2ccccc2)n[nH]1 ZINC000161264032 463414855 /nfs/dbraw/zinc/41/48/55/463414855.db2.gz DCZXKDNRZYULDN-KDOFPFPSSA-N 0 3 326.444 2.430 10 70 EEIEHN CC(C)COc1ccc([C@H](C)NC(=O)C(C)S(C)(=O)=O)cc1 ZINC000159867917 528164315 /nfs/dbraw/zinc/16/43/15/528164315.db2.gz WQWMROYKIOAYFD-STQMWFEESA-N 0 3 327.446 2.332 10 70 EEIEHN C[C@@H]1C[C@H](NC(=O)c2cnc3c(c2)ncn3C)CN1Cc1ccccc1 ZINC000160794783 463372056 /nfs/dbraw/zinc/37/20/56/463372056.db2.gz NZKDHMVWHVSSHF-PBHICJAKSA-N 0 3 349.438 2.361 10 70 EEIEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000161175625 311363111 /nfs/dbraw/zinc/36/31/11/311363111.db2.gz JZUGRFYALLTPFY-KRWDZBQOSA-N 0 3 331.460 2.285 10 70 EEIEHN CN(C)CCOc1ccccc1C(=O)NCCc1cccc(O)c1 ZINC000160198282 463322723 /nfs/dbraw/zinc/32/27/23/463322723.db2.gz BXLTWVSECLTHNB-UHFFFAOYSA-N 0 3 328.412 2.305 10 70 EEIEHN CN(CCN1CCN(Cc2cccnc2)CC1)Cc1ccc(F)cc1 ZINC000161164354 463405153 /nfs/dbraw/zinc/40/51/53/463405153.db2.gz YAKBHLZVIGNJIY-UHFFFAOYSA-N 0 3 342.462 2.470 10 70 EEIEHN O=C(NCCN1CCCCC1)c1cccc(OCC(F)(F)F)n1 ZINC000159891860 534330604 /nfs/dbraw/zinc/33/06/04/534330604.db2.gz OZDGZXQQHOCPPV-UHFFFAOYSA-N 0 3 331.338 2.238 10 70 EEIEHN Cc1ccc2[nH]cc(CCC(=O)NC[C@H](O)CN3CCCCC3)c2c1 ZINC000160012701 534374076 /nfs/dbraw/zinc/37/40/76/534374076.db2.gz SHNZAZAWFHMWPK-KRWDZBQOSA-N 0 3 343.471 2.372 10 70 EEIEHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cnc3c(c2)ncn3C)C1 ZINC000160448053 282272988 /nfs/dbraw/zinc/27/29/88/282272988.db2.gz LUXUHNWLDNYYLD-HNNXBMFYSA-N 0 3 335.411 2.101 10 70 EEIEHN CC[C@@H](C(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)N(C)C ZINC000159508951 463290253 /nfs/dbraw/zinc/29/02/53/463290253.db2.gz HBTHDANLZFZJAP-NSHDSACASA-N 0 3 332.370 2.475 10 70 EEIEHN CC(C)NC(=O)c1ccc(C(=O)NCCN2CCCC[C@H]2C)cc1 ZINC000160494614 463343945 /nfs/dbraw/zinc/34/39/45/463343945.db2.gz RLBRTZNJQHNOQG-OAHLLOKOSA-N 0 3 331.460 2.429 10 70 EEIEHN C[C@H]1C[C@H](NC(=O)c2cnc3c(c2)ncn3C)CN1Cc1ccccc1 ZINC000160794917 463371683 /nfs/dbraw/zinc/37/16/83/463371683.db2.gz NZKDHMVWHVSSHF-YOEHRIQHSA-N 0 3 349.438 2.361 10 70 EEIEHN CN(C)Cc1cccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000161468181 463432415 /nfs/dbraw/zinc/43/24/15/463432415.db2.gz QMNDTONTTJCIOP-SFHVURJKSA-N 0 3 325.412 2.437 10 70 EEIEHN Cc1ccc(OCCC(=O)NC[C@H](O)CN2CCCCC2)c(C)c1 ZINC000160191141 225358486 /nfs/dbraw/zinc/35/84/86/225358486.db2.gz PHRHEKVSXWNNDN-KRWDZBQOSA-N 0 3 334.460 2.035 10 70 EEIEHN CCCCn1ncc(NC(=O)NC[C@@H]2CCCN2CCOC)c1C ZINC000160078992 311349823 /nfs/dbraw/zinc/34/98/23/311349823.db2.gz JLVMLGYVBBPDOE-HNNXBMFYSA-N 0 3 337.468 2.224 10 70 EEIEHN CCCOC(=O)[C@@H](C)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160291415 463327152 /nfs/dbraw/zinc/32/71/52/463327152.db2.gz MZBMVVWAEQPMST-OWCLPIDISA-N 0 3 326.481 2.149 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cncc(-c2ccccc2)c1 ZINC000160508414 463344676 /nfs/dbraw/zinc/34/46/76/463344676.db2.gz MDAYQKGNKXQQRM-IBGZPJMESA-N 0 3 339.439 2.325 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)C1(c2cccc(Cl)c2)CC1 ZINC000160615773 463355563 /nfs/dbraw/zinc/35/55/63/463355563.db2.gz MGBCPVRMWYKEJA-INIZCTEOSA-N 0 3 336.863 2.335 10 70 EEIEHN CCc1cccc2c(CC(=O)NC[C@H](O)CN3CCCCC3)c[nH]c21 ZINC000160108924 529550939 /nfs/dbraw/zinc/55/09/39/529550939.db2.gz FNGJXWHXRZBADP-KRWDZBQOSA-N 0 3 343.471 2.236 10 70 EEIEHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCCCS(C)(=O)=O ZINC000161240303 539526448 /nfs/dbraw/zinc/52/64/48/539526448.db2.gz PTFNKMAWBJGFEU-CQSZACIVSA-N 0 3 336.461 2.085 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000160393547 273985319 /nfs/dbraw/zinc/98/53/19/273985319.db2.gz GFGVDYHTARHOMV-ULQDDVLXSA-N 0 3 336.863 2.407 10 70 EEIEHN Cc1ccc(C)c(C(=O)CCC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160407971 463335734 /nfs/dbraw/zinc/33/57/34/463335734.db2.gz NTHAUYZEGOUVCS-KRWDZBQOSA-N 0 3 346.471 2.229 10 70 EEIEHN COCCCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160802518 463373005 /nfs/dbraw/zinc/37/30/05/463373005.db2.gz OBPULSYJCNPKDM-HUUCEWRRSA-N 0 3 330.432 2.064 10 70 EEIEHN CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000159362329 225204059 /nfs/dbraw/zinc/20/40/59/225204059.db2.gz NSQAYNPIJNMECU-GHMZBOCLSA-N 0 3 344.381 2.086 10 70 EEIEHN CNS(=O)(=O)c1ccc([C@@H](C)NC[C@@](C)(O)CCC(C)C)cc1 ZINC000159435609 463285781 /nfs/dbraw/zinc/28/57/81/463285781.db2.gz IMLHTVBGCUGZDH-PBHICJAKSA-N 0 3 342.505 2.433 10 70 EEIEHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CN(C)C ZINC000159752499 463302760 /nfs/dbraw/zinc/30/27/60/463302760.db2.gz CKULYZQKTKKVAC-QGZVFWFLSA-N 0 3 341.459 2.139 10 70 EEIEHN CN1CCCN(C(=O)Nc2ccnn2Cc2ccccc2F)CC1 ZINC000160550503 463349332 /nfs/dbraw/zinc/34/93/32/463349332.db2.gz AUPXOUXTLNDLMQ-UHFFFAOYSA-N 0 3 331.395 2.240 10 70 EEIEHN COc1ccc([C@H](CNC(=O)N[C@H]2CCO[C@@H]2C)N2CCCC2)cc1 ZINC000160605919 463355401 /nfs/dbraw/zinc/35/54/01/463355401.db2.gz XHKOMIAXRGVYTQ-JLSDUUJJSA-N 0 3 347.459 2.309 10 70 EEIEHN Cc1ccc2[nH]cc(CCC(=O)NC[C@@H](O)CN3CCCCC3)c2c1 ZINC000160012835 534373756 /nfs/dbraw/zinc/37/37/56/534373756.db2.gz SHNZAZAWFHMWPK-QGZVFWFLSA-N 0 3 343.471 2.372 10 70 EEIEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)N(C)C1CCCCC1 ZINC000160292695 527979670 /nfs/dbraw/zinc/97/96/70/527979670.db2.gz GZMVMZSKFJGZAB-MRXNPFEDSA-N 0 3 331.526 2.206 10 70 EEIEHN CC(C)COc1ccc([C@@H](C)NC(=O)C(C)S(C)(=O)=O)cc1 ZINC000159867477 528162125 /nfs/dbraw/zinc/16/21/25/528162125.db2.gz WQWMROYKIOAYFD-CHWSQXEVSA-N 0 3 327.446 2.332 10 70 EEIEHN Cc1cccc([C@@H]2CCCN2CC(=O)NC2CCN(C3CC3)CC2)n1 ZINC000159738697 311344967 /nfs/dbraw/zinc/34/49/67/311344967.db2.gz YMEPOPQJUBIDHS-IBGZPJMESA-N 0 3 342.487 2.270 10 70 EEIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)[C@@H]2CCCc3c2cnn3C)C1 ZINC000159595040 463294369 /nfs/dbraw/zinc/29/43/69/463294369.db2.gz QGEKQGWRONYCBZ-VNQPRFMTSA-N 0 3 333.480 2.168 10 70 EEIEHN CN(Cc1ccc(F)cc1)C(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160776526 463369863 /nfs/dbraw/zinc/36/98/63/463369863.db2.gz SBBGUEANJWXQRR-APWZRJJASA-N 0 3 334.435 2.411 10 70 EEIEHN CN(CCN1CCC(Cn2ccnn2)CC1)Cc1ccc(F)cc1 ZINC000161011160 463390067 /nfs/dbraw/zinc/39/00/67/463390067.db2.gz FDTYVVXDGWZWQY-UHFFFAOYSA-N 0 3 331.439 2.261 10 70 EEIEHN C[C@@H](CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N(C)C1CC1 ZINC000161310483 463418019 /nfs/dbraw/zinc/41/80/19/463418019.db2.gz RAEFHYQFHKKBSQ-VHSXEESVSA-N 0 3 344.381 2.132 10 70 EEIEHN O=C(/C=C/c1cccs1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000159361352 534779560 /nfs/dbraw/zinc/77/95/60/534779560.db2.gz KFRFQBFHWNVXSE-OZSKJFCKSA-N 0 3 342.464 2.297 10 70 EEIEHN COc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c([O-])c1 ZINC000159583807 539517198 /nfs/dbraw/zinc/51/71/98/539517198.db2.gz GJQRLFCORXDUAG-MRXNPFEDSA-N 0 3 348.443 2.118 10 70 EEIEHN COc1ccc([C@@H](C)NCCCN2CCCC2=O)cc1NC(C)=O ZINC000159551473 225237560 /nfs/dbraw/zinc/23/75/60/225237560.db2.gz FKNLJABNLGTPRE-CYBMUJFWSA-N 0 3 333.432 2.317 10 70 EEIEHN CCn1cc([C@@H](C)NCc2ccc(N3CCN(CC)CC3)nc2)cn1 ZINC000159463796 463287511 /nfs/dbraw/zinc/28/75/11/463287511.db2.gz JJKXENRBMHNTQS-MRXNPFEDSA-N 0 3 342.491 2.291 10 70 EEIEHN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000160249202 529630606 /nfs/dbraw/zinc/63/06/06/529630606.db2.gz QNFVTDAFTRPZLF-YESZJQIVSA-N 0 3 337.508 2.262 10 70 EEIEHN COc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c([O-])c1 ZINC000159583709 539516735 /nfs/dbraw/zinc/51/67/35/539516735.db2.gz GJQRLFCORXDUAG-INIZCTEOSA-N 0 3 348.443 2.118 10 70 EEIEHN CN(C)CCn1ccc(NC(=O)NCc2ccn(C3CCCC3)n2)n1 ZINC000160079209 237231176 /nfs/dbraw/zinc/23/11/76/237231176.db2.gz KURNQVDGKCFPGZ-UHFFFAOYSA-N 0 3 345.451 2.078 10 70 EEIEHN COc1ccccc1[C@@H](C)CC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160299496 532963665 /nfs/dbraw/zinc/96/36/65/532963665.db2.gz YMYMXYHXHJKCIP-HOTGVXAUSA-N 0 3 334.460 2.152 10 70 EEIEHN Cc1cc(OC(F)F)c(C(=O)NC[C@H](O)CN2CCCCC2)s1 ZINC000160287279 225379498 /nfs/dbraw/zinc/37/94/98/225379498.db2.gz NRKGXVZESPFIKJ-NSHDSACASA-N 0 3 348.415 2.235 10 70 EEIEHN CCC[C@H](C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1)N(C)C ZINC000160028130 463315452 /nfs/dbraw/zinc/31/54/52/463315452.db2.gz UHHYNWHOTIAWIG-MOPGFXCFSA-N 0 3 347.503 2.215 10 70 EEIEHN COc1ccc([C@@H](C)N[C@H](CCO)CSC)cc1NC(C)=O ZINC000160336772 463330755 /nfs/dbraw/zinc/33/07/55/463330755.db2.gz NPUDSSRQVHAPFP-BXUZGUMPSA-N 0 3 326.462 2.418 10 70 EEIEHN CCN(C(=O)NCc1noc(C)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000160379203 463333681 /nfs/dbraw/zinc/33/36/81/463333681.db2.gz CGZVQAMDKJMISU-INIZCTEOSA-N 0 3 343.431 2.184 10 70 EEIEHN CC[C@@H](NCc1ccc(CN2CCOCC2)cc1)c1cnn(C)c1 ZINC000160570122 463350472 /nfs/dbraw/zinc/35/04/72/463350472.db2.gz IGYHIJYHIFEPFP-LJQANCHMSA-N 0 3 328.460 2.493 10 70 EEIEHN CC[C@H](Oc1cccc(C)c1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160013254 529160771 /nfs/dbraw/zinc/16/07/71/529160771.db2.gz LGIYQRHOPQANIA-WMZOPIPTSA-N 0 3 334.460 2.115 10 70 EEIEHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccnc(C)c1Cl ZINC000159730274 539518193 /nfs/dbraw/zinc/51/81/93/539518193.db2.gz GPXXERRZNXCWBQ-GFCCVEGCSA-N 0 3 326.828 2.276 10 70 EEIEHN Cc1ccc(C)c(OCCC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160285415 237234814 /nfs/dbraw/zinc/23/48/14/237234814.db2.gz QHANJKNLBUSWQC-KRWDZBQOSA-N 0 3 334.460 2.035 10 70 EEIEHN Cc1noc(Cl)c1CC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000160743123 311358253 /nfs/dbraw/zinc/35/82/53/311358253.db2.gz PJNCOQHQKWYJSM-CQSZACIVSA-N 0 3 335.835 2.468 10 70 EEIEHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@](C)(O)CCC(C)C)c1 ZINC000159391500 463285020 /nfs/dbraw/zinc/28/50/20/463285020.db2.gz WJZANPJUIXXRKA-RHSMWYFYSA-N 0 3 342.505 2.433 10 70 EEIEHN CC1CCN(CCNC(=O)c2cccc(OCC(F)(F)F)n2)CC1 ZINC000159878510 463309638 /nfs/dbraw/zinc/30/96/38/463309638.db2.gz KDFMTRGHCYEHOK-UHFFFAOYSA-N 0 3 345.365 2.484 10 70 EEIEHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cnc(-c2ncccn2)s1 ZINC000160436881 463338369 /nfs/dbraw/zinc/33/83/69/463338369.db2.gz JFPXBEGGROMKPX-CYBMUJFWSA-N 0 3 345.472 2.450 10 70 EEIEHN CC(C)[C@H](Cc1ccccc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160468295 463341109 /nfs/dbraw/zinc/34/11/09/463341109.db2.gz JPXCHNSGXGDOLF-OALUTQOASA-N 0 3 332.488 2.464 10 70 EEIEHN C[C@H]1CCc2sc(C(=O)NC[C@H](O)CN3CCCCC3)cc2C1 ZINC000160126202 533788543 /nfs/dbraw/zinc/78/85/43/533788543.db2.gz FCGWPBNNLAGMDY-ZFWWWQNUSA-N 0 3 336.501 2.450 10 70 EEIEHN C[C@@H]1CCCCN1CCNC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000159899119 534160468 /nfs/dbraw/zinc/16/04/68/534160468.db2.gz WBNKPYOXOQXQOH-GFCCVEGCSA-N 0 3 331.391 2.271 10 70 EEIEHN O=C(/C=C/c1ccnc2ccccc12)NC[C@@H](O)CN1CCCCC1 ZINC000160344809 225393054 /nfs/dbraw/zinc/39/30/54/225393054.db2.gz IMCRGBWZDMIUSP-KBOKABMXSA-N 0 3 339.439 2.211 10 70 EEIEHN C[C@H](CNC(=O)CC/C=C/c1ccccc1)CN1CCN(C)CC1 ZINC000160103481 225338418 /nfs/dbraw/zinc/33/84/18/225338418.db2.gz NZHFRFNNJSNBLE-WGLAMXGCSA-N 0 3 329.488 2.480 10 70 EEIEHN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000161304990 311364198 /nfs/dbraw/zinc/36/41/98/311364198.db2.gz XRAWLWVMLQCVQX-ILXRZTDVSA-N 0 3 341.496 2.381 10 70 EEIEHN CCOc1c(OC)cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159669933 463298584 /nfs/dbraw/zinc/29/85/84/463298584.db2.gz GKAYQISKFPGZOT-GXTWGEPZSA-N 0 3 336.432 2.188 10 70 EEIEHN O=C(NC[C@H](O)CN1CCCCC1)C1(Cc2ccccc2)CCC1 ZINC000160434978 463338882 /nfs/dbraw/zinc/33/88/82/463338882.db2.gz UBIIKIVCUNBIMA-SFHVURJKSA-N 0 3 330.472 2.362 10 70 EEIEHN C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CCN1C ZINC000160637651 463357311 /nfs/dbraw/zinc/35/73/11/463357311.db2.gz NDYXPDRKHVXZHL-BBRMVZONSA-N 0 3 342.447 2.429 10 70 EEIEHN O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H](O)CN1CCCCC1 ZINC000160003086 534719742 /nfs/dbraw/zinc/71/97/42/534719742.db2.gz GFLPVWWFUQSFKZ-HNNXBMFYSA-N 0 3 344.377 2.211 10 70 EEIEHN CC(C)c1ccc(OCC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160000414 528119453 /nfs/dbraw/zinc/11/94/53/528119453.db2.gz VPVZCTBPVYQBJU-KRWDZBQOSA-N 0 3 334.460 2.152 10 70 EEIEHN O=C(COc1ccc2ccccc2c1)NC[C@H](O)CN1CCCCC1 ZINC000160255372 225370706 /nfs/dbraw/zinc/37/07/06/225370706.db2.gz CXHSSGJANFYTJP-SFHVURJKSA-N 0 3 342.439 2.182 10 70 EEIEHN Cc1ccccc1OCCCC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160646703 225445754 /nfs/dbraw/zinc/44/57/54/225445754.db2.gz HTHBJGRJFMSIBL-KRWDZBQOSA-N 0 3 334.460 2.117 10 70 EEIEHN Cc1nn(C)c(C)c1CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000160929903 311359934 /nfs/dbraw/zinc/35/99/34/311359934.db2.gz PRCRAXKECVDUCY-UHFFFAOYSA-N 0 3 335.496 2.095 10 70 EEIEHN CCOCCCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160807812 463372979 /nfs/dbraw/zinc/37/29/79/463372979.db2.gz SARNQSMBHFLTQF-HZPDHXFCSA-N 0 3 344.459 2.454 10 70 EEIEHN CCn1cnnc1[C@@H]1CCCN(Cc2cccc3c2OCCO3)C1 ZINC000161349783 463424293 /nfs/dbraw/zinc/42/42/93/463424293.db2.gz KTYKAEWQUFHRMF-OAHLLOKOSA-N 0 3 328.416 2.449 10 70 EEIEHN