smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name S=c1n(CN2CCO[C@@H](c3nccs3)C2)nc2n1CCCCC2 ZINC000152243792 728753083 /nfs/dbraw/zinc/75/30/83/728753083.db2.gz YNFQQGBCOUZIDF-GFCCVEGCSA-N 0 0 351.501 2.628 10 0 FFAERN CCOCC[N@@H+]1CCN(Cn2nc(C)c(Br)c2C)C[C@@H]1CC ZINC000152620371 728762562 /nfs/dbraw/zinc/76/25/62/728762562.db2.gz KAVAMFPXTIJBSZ-HNNXBMFYSA-N 0 0 373.339 2.653 10 0 FFAERN CC[C@H]1CCc2c(sc(=O)n2CN2CCC(Cn3cccn3)CC2)C1 ZINC000152774751 728765939 /nfs/dbraw/zinc/76/59/39/728765939.db2.gz PYAQSUNCPUFXSQ-HNNXBMFYSA-N 0 0 360.527 2.991 10 0 FFAERN C[C@H](OC(=O)C[C@H]1COC(=O)C1)c1ccc(I)cc1 ZINC000152893258 728768078 /nfs/dbraw/zinc/76/80/78/728768078.db2.gz QOYVRXDKWMTPPH-UWVGGRQHSA-N 0 0 374.174 2.849 10 0 FFAERN C[C@H](NC(=O)NC[C@](C)(O)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000153394946 728778981 /nfs/dbraw/zinc/77/89/81/728778981.db2.gz BKSTWNLXDWBSFX-SGTLLEGYSA-N 0 0 362.451 2.787 10 0 FFAERN COC[C@H](C)C(=O)OC[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000155200405 728822680 /nfs/dbraw/zinc/82/26/80/728822680.db2.gz ZHYKWGOCKDVKHV-NWDGAFQWSA-N 0 0 370.243 2.628 10 0 FFAERN COC(=O)N[C@@H](C(=O)N1CCN(c2ccc(F)cc2Cl)CC1)C(C)C ZINC000161875958 728936702 /nfs/dbraw/zinc/93/67/02/728936702.db2.gz FXSBGIKZFHQDLX-OAHLLOKOSA-N 0 0 371.840 2.508 10 0 FFAERN CCn1c(-c2cccs2)nn(CN(C)CC(=O)NC(C)(C)C)c1=S ZINC000008147918 727800948 /nfs/dbraw/zinc/80/09/48/727800948.db2.gz AKTHSMKNFKHKPP-UHFFFAOYSA-N 0 0 367.544 2.966 10 0 FFAERN CCn1c(-c2ccccc2)nn(CN(C)CC(=O)NC(C)(C)C)c1=S ZINC000008148041 727801019 /nfs/dbraw/zinc/80/10/19/727801019.db2.gz JTSFDMYTZWFDBV-UHFFFAOYSA-N 0 0 361.515 2.905 10 0 FFAERN C[C@@H]1CN(C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000017327457 727828453 /nfs/dbraw/zinc/82/84/53/727828453.db2.gz KGUAFQGACPIVEF-GHMZBOCLSA-N 0 0 366.874 2.523 10 0 FFAERN Cc1nc(-c2ccc(NC(=O)C(=O)N[C@H](C)[C@@H]3CCCO3)cc2)cs1 ZINC000041919588 727949864 /nfs/dbraw/zinc/94/98/64/727949864.db2.gz WITDMXIECTZTSZ-BZNIZROVSA-N 0 0 359.451 2.741 10 0 FFAERN C[C@@H](NS(=O)(=O)N(C)C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000044761938 727992037 /nfs/dbraw/zinc/99/20/37/727992037.db2.gz HGGOTPGVHDZXRZ-CYBMUJFWSA-N 0 0 354.472 2.618 10 0 FFAERN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H](C)c2cccs2)c1 ZINC000048881342 728057813 /nfs/dbraw/zinc/05/78/13/728057813.db2.gz QNMJPAZJZMJJAV-GFCCVEGCSA-N 0 0 359.451 2.622 10 0 FFAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000071826256 728209027 /nfs/dbraw/zinc/20/90/27/728209027.db2.gz GZRAEOYVAVMKSW-MXWKQRLJSA-N 0 0 367.298 2.998 10 0 FFAERN COc1ccc(C[C@@H](C)OC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1 ZINC000077562392 728278055 /nfs/dbraw/zinc/27/80/55/728278055.db2.gz QEAWFIGARQBYRB-YPMHNXCESA-N 0 0 359.344 2.580 10 0 FFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000078419247 728296074 /nfs/dbraw/zinc/29/60/74/728296074.db2.gz LXWGAGULKAJEBW-CYBMUJFWSA-N 0 0 371.528 2.555 10 0 FFAERN C[C@H](OC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)[C@H]1CCOC1 ZINC000079173912 728309600 /nfs/dbraw/zinc/30/96/00/728309600.db2.gz FOHVIBBPEGZVPW-ONGXEEELSA-N 0 0 351.296 2.943 10 0 FFAERN Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000080765394 728332608 /nfs/dbraw/zinc/33/26/08/728332608.db2.gz SUSKRQUIOMJWNN-AWEZNQCLSA-N 0 0 372.462 2.812 10 0 FFAERN CCCn1c(C)nn(CN2CCC[C@H](Cc3noc(C)n3)C2)c1=S ZINC000089650819 728444871 /nfs/dbraw/zinc/44/48/71/728444871.db2.gz PVIBSXWHEUFXHZ-CQSZACIVSA-N 0 0 350.492 2.736 10 0 FFAERN O=CN1CCN(c2nc3ccccc3c(NCc3cccs3)n2)CC1 ZINC000096195093 728480812 /nfs/dbraw/zinc/48/08/12/728480812.db2.gz KVWRZTOIYCWZJU-UHFFFAOYSA-N 0 0 353.451 2.582 10 0 FFAERN CCCC(=O)N[C@H]1CCCN(Cn2ncn(-c3ccccc3)c2=S)C1 ZINC000101539022 728485946 /nfs/dbraw/zinc/48/59/46/728485946.db2.gz BDSOOAIASGHDIT-HNNXBMFYSA-N 0 0 359.499 2.741 10 0 FFAERN NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccc3ncccc32)c1 ZINC000102319828 728490200 /nfs/dbraw/zinc/49/02/00/728490200.db2.gz OVHCILPIRMESBG-UHFFFAOYSA-N 0 0 361.810 2.788 10 0 FFAERN C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCCCNC(=O)OC(C)(C)C ZINC000103443996 728496706 /nfs/dbraw/zinc/49/67/06/728496706.db2.gz QIQBOYOOINGMCH-NSHDSACASA-N 0 0 358.385 2.763 10 0 FFAERN COC(=O)c1cc(F)ccc1CSc1nnc(-c2ccccc2)n1N ZINC000103462957 728497131 /nfs/dbraw/zinc/49/71/31/728497131.db2.gz NIZBOMOONBNTCX-UHFFFAOYSA-N 0 0 358.398 2.877 10 0 FFAERN CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1ccc(F)cc1F ZINC000106775851 728511772 /nfs/dbraw/zinc/51/17/72/728511772.db2.gz NMVTZSKWXRQGIZ-ZDUSSCGKSA-N 0 0 358.385 2.763 10 0 FFAERN COC(=O)N[C@@H](C(=O)Nc1ccc(-n2cccn2)c(Cl)c1)C(C)C ZINC000108168415 728520172 /nfs/dbraw/zinc/52/01/72/728520172.db2.gz AMGSOTMBJMNVDV-CQSZACIVSA-N 0 0 350.806 2.845 10 0 FFAERN COC(=O)N[C@@H](C(=O)Nc1nc(-c2ccc(C)s2)ns1)C(C)C ZINC000108168383 728520226 /nfs/dbraw/zinc/52/02/26/728520226.db2.gz FHMRMNACJIUOOH-SNVBAGLBSA-N 0 0 354.457 2.894 10 0 FFAERN COC(=O)N[C@H](C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)C(C)C ZINC000108781067 728522560 /nfs/dbraw/zinc/52/25/60/728522560.db2.gz WIMVMKZAKROUBP-GJZGRUSLSA-N 0 0 354.834 2.621 10 0 FFAERN COC(=O)Cc1cccc(OC(=O)Cc2c(C)nn(C(F)F)c2C)c1 ZINC000109193951 728525321 /nfs/dbraw/zinc/52/53/21/728525321.db2.gz NUYDTBISSHXODN-UHFFFAOYSA-N 0 0 352.337 2.759 10 0 FFAERN CN(C)c1ccc(NC(=O)NCCNC(=O)c2ccccc2)cc1Cl ZINC000110068619 728530445 /nfs/dbraw/zinc/53/04/45/728530445.db2.gz MBLSUFZDVYMGBO-UHFFFAOYSA-N 0 0 360.845 2.958 10 0 FFAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3cc(Cl)ccc3F)CCO2)c1 ZINC000112122363 728540984 /nfs/dbraw/zinc/54/09/84/728540984.db2.gz HSLNCCZHDWRVIR-CYBMUJFWSA-N 0 0 352.797 2.917 10 0 FFAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc2c(s1)-c1ccccc1CC2 ZINC000112660768 728547292 /nfs/dbraw/zinc/54/72/92/728547292.db2.gz SYZWLBLEQACJSY-AWEZNQCLSA-N 0 0 350.447 2.850 10 0 FFAERN COC(=O)N[C@@H](C(=O)N1CCc2cccc(Br)c2C1)C(C)C ZINC000118280374 728580969 /nfs/dbraw/zinc/58/09/69/728580969.db2.gz UZUJFQIJCHHMBI-CQSZACIVSA-N 0 0 369.259 2.714 10 0 FFAERN C[C@H](OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1nc2ccccc2s1 ZINC000120018757 728604128 /nfs/dbraw/zinc/60/41/28/728604128.db2.gz QYCTXUPLNLIYRJ-RYUDHWBXSA-N 0 0 368.480 2.572 10 0 FFAERN CCC(=O)N1CC[C@H](C(=O)O[C@@H](c2nc(C)cs2)C(F)(F)F)C1 ZINC000124844967 728675193 /nfs/dbraw/zinc/67/51/93/728675193.db2.gz KNCZJSDAQRSFCR-ONGXEEELSA-N 0 0 350.362 2.857 10 0 FFAERN CC[C@H](OC(=O)CN(C)S(=O)(=O)c1cccnc1)c1ccc(F)cc1 ZINC000126512636 728703994 /nfs/dbraw/zinc/70/39/94/728703994.db2.gz HYMKDOQBOLPAKY-INIZCTEOSA-N 0 0 366.414 2.536 10 0 FFAERN CC(C)(C)OC(=O)N(CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)C1CC1 ZINC000127782034 728707289 /nfs/dbraw/zinc/70/72/89/728707289.db2.gz IJXSIJSNXQYBIG-AUUYWEPGSA-N 0 0 352.475 2.540 10 0 FFAERN C[C@@H](OC(=O)CCN1C(=O)CCC1=O)c1ccc(Br)cc1F ZINC000131070986 728721428 /nfs/dbraw/zinc/72/14/28/728721428.db2.gz QHQXOJRKRBNHEN-SECBINFHSA-N 0 0 372.190 2.732 10 0 FFAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC[C@](C)(O)c2ccsc2)C1 ZINC000131331951 728722066 /nfs/dbraw/zinc/72/20/66/728722066.db2.gz SVMXPYJDSUKAIR-UGSOOPFHSA-N 0 0 368.499 2.719 10 0 FFAERN CC(C)C[C@H](C)OCCC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000134310498 728729621 /nfs/dbraw/zinc/72/96/21/728729621.db2.gz JKXHVVDBIFRSFJ-JZXOWHBKSA-N 0 0 351.491 2.533 10 0 FFAERN CCC1(CO)CCN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000134611666 728731410 /nfs/dbraw/zinc/73/14/10/728731410.db2.gz TYSPHVMUFSVJOJ-HNNXBMFYSA-N 0 0 354.491 2.645 10 0 FFAERN C[C@@H](NC(=O)N[C@@H](C)CCS(C)(=O)=O)c1ccc(F)c(Cl)c1 ZINC000134689716 728732162 /nfs/dbraw/zinc/73/21/62/728732162.db2.gz MYNFGWKGCVXZRV-VHSXEESVSA-N 0 0 350.843 2.663 10 0 FFAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000134957402 728734493 /nfs/dbraw/zinc/73/44/93/728734493.db2.gz HYIQLIUKJAPWJM-PWSUYJOCSA-N 0 0 356.829 2.643 10 0 FFAERN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(F)nc1 ZINC000134983727 728734724 /nfs/dbraw/zinc/73/47/24/728734724.db2.gz KSRUMPNHMQTAHH-HNNXBMFYSA-N 0 0 351.328 2.892 10 0 FFAERN COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000135243717 728736714 /nfs/dbraw/zinc/73/67/14/728736714.db2.gz CPRSLRHSXXWBOF-STQMWFEESA-N 0 0 360.483 2.981 10 0 FFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)C1(c2cccc(Cl)c2)CC1 ZINC000135280513 728737086 /nfs/dbraw/zinc/73/70/86/728737086.db2.gz ITTGDLWZSNVIMH-MRXNPFEDSA-N 0 0 356.857 2.947 10 0 FFAERN C[C@H](NC(=O)Cc1ccc(OC(F)F)cc1)c1nnc2n1CCCC2 ZINC000135299970 728737269 /nfs/dbraw/zinc/73/72/69/728737269.db2.gz IHZXJMNTZQUMBJ-NSHDSACASA-N 0 0 350.369 2.636 10 0 FFAERN CCCc1nc(C(=O)N[C@@H]2CCCC[C@@H]2O)nn1-c1ccccc1Cl ZINC000151983726 728747517 /nfs/dbraw/zinc/74/75/17/728747517.db2.gz ZNWIMZFQGSPVNQ-HIFRSBDPSA-N 0 0 362.861 2.907 10 0 FFAERN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000152102440 728747912 /nfs/dbraw/zinc/74/79/12/728747912.db2.gz DIEGBAXYMLBPCP-HIFRSBDPSA-N 0 0 350.415 2.579 10 0 FFAERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCOCC23CCC3)C1 ZINC000152181673 728749388 /nfs/dbraw/zinc/74/93/88/728749388.db2.gz PXXQQSQSLNYBFE-CABCVRRESA-N 0 0 352.475 2.851 10 0 FFAERN CCCC(=O)N[C@@H]1CCCN(Cn2c(=O)oc3ccc(Cl)cc32)C1 ZINC000170639001 728984156 /nfs/dbraw/zinc/98/41/56/728984156.db2.gz NXZAEJMLSUBKDB-CYBMUJFWSA-N 0 0 351.834 2.586 10 0 FFAERN O=C1NC(C2CC2)(C2CC2)C(=O)N1CN1CCCC[C@H]1c1nccs1 ZINC000170638348 728984268 /nfs/dbraw/zinc/98/42/68/728984268.db2.gz UAXJGZKVGUCJAR-AWEZNQCLSA-N 0 0 360.483 2.738 10 0 FFAERN CCCc1ccc(S(=O)(=O)N2CCC[C@H](Cc3noc(C)n3)C2)cc1 ZINC000171430317 729004551 /nfs/dbraw/zinc/00/45/51/729004551.db2.gz MJCGKFAVZUPYBL-MRXNPFEDSA-N 0 0 363.483 2.974 10 0 FFAERN O=C(c1ccn(-c2ccccc2Cl)n1)N1CCC[C@H](n2cncn2)C1 ZINC000171661582 729010518 /nfs/dbraw/zinc/01/05/18/729010518.db2.gz POXYVCVLQVXCHW-ZDUSSCGKSA-N 0 0 356.817 2.595 10 0 FFAERN CCn1c(C)nnc1CN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000171707381 729011066 /nfs/dbraw/zinc/01/10/66/729011066.db2.gz BDMXWNDEHXWAJH-UHFFFAOYSA-N 0 0 351.495 2.685 10 0 FFAERN CCO[C@@H]1C[C@@H](N(C)C(=O)NCC[S@@](=O)C(C)(C)C)C12CCCC2 ZINC000172657345 729029795 /nfs/dbraw/zinc/02/97/95/729029795.db2.gz VMXKNRXIQOCWFW-KAEOHJDDSA-N 0 0 358.548 2.913 10 0 FFAERN FC(F)Sc1nc2ccccc2n1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000172960662 729037364 /nfs/dbraw/zinc/03/73/64/729037364.db2.gz KEASFJJWPKAICH-CYBMUJFWSA-N 0 0 368.453 2.715 10 0 FFAERN CCO[C@@H]1C[C@@H](N(C)C(=O)NCCS(=O)(=O)C(C)(C)C)C12CCCC2 ZINC000173283399 729043355 /nfs/dbraw/zinc/04/33/55/729043355.db2.gz NZBCWNXWRPQAGA-HUUCEWRRSA-N 0 0 374.547 2.579 10 0 FFAERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(F)c1 ZINC000173545174 729049965 /nfs/dbraw/zinc/04/99/65/729049965.db2.gz PNTRZDBZJJUJEQ-WFASDCNBSA-N 0 0 372.462 2.797 10 0 FFAERN CC(C)(C)OC(=O)N(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)CC1CC1 ZINC000173591612 729050663 /nfs/dbraw/zinc/05/06/63/729050663.db2.gz GFDNCPBMQIMBLO-HOTGVXAUSA-N 0 0 352.475 2.804 10 0 FFAERN C[C@H](OC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)[C@@H]1CCOC1 ZINC000175241599 729091039 /nfs/dbraw/zinc/09/10/39/729091039.db2.gz YNKZPNAEFHYBFZ-WDEREUQCSA-N 0 0 355.316 2.868 10 0 FFAERN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000175607393 729098656 /nfs/dbraw/zinc/09/86/56/729098656.db2.gz GREHEMKIDCFRNM-DOXZYTNZSA-N 0 0 352.475 2.804 10 0 FFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cn1nc(-c2ccco2)n(C)c1=S ZINC000177642179 729141952 /nfs/dbraw/zinc/14/19/52/729141952.db2.gz WSAZYWGPTVMSTM-NSHDSACASA-N 0 0 352.460 2.831 10 0 FFAERN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H](CC(C)C)NC(=O)OC ZINC000178091994 729153696 /nfs/dbraw/zinc/15/36/96/729153696.db2.gz GVLVYFXXTWSWPL-IAGOWNOFSA-N 0 0 350.459 2.648 10 0 FFAERN C[C@@H](NC(=O)NCC1CCC(C)(C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000179076233 729177727 /nfs/dbraw/zinc/17/77/27/729177727.db2.gz LOWJURLIMXVYLR-CYBMUJFWSA-N 0 0 367.515 2.911 10 0 FFAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)C[C@H](C)O1 ZINC000183464038 729305250 /nfs/dbraw/zinc/30/52/50/729305250.db2.gz LLRDBISQNIRECM-IUCAKERBSA-N 0 0 362.760 2.516 10 0 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Cc1cccc(NC2CCN(C(=O)[C@@H](C)NC(=O)c3ccco3)CC2)c1 ZINC000151861239 509099106 /nfs/dbraw/zinc/09/91/06/509099106.db2.gz HOBXXQPQIVCLAQ-OAHLLOKOSA-N 0 0 355.438 2.809 10 0 FFAERN Cc1noc([C@@H]2COCCN2C(=O)c2cccc(Oc3ccncc3)c2)n1 ZINC000120968243 509099291 /nfs/dbraw/zinc/09/92/91/509099291.db2.gz DLLFYJVQEZSLPE-KRWDZBQOSA-N 0 0 366.377 2.779 10 0 FFAERN CCn1cnnc1C1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000132988940 509100631 /nfs/dbraw/zinc/10/06/31/509100631.db2.gz LGAGINVFINFPNR-KRWDZBQOSA-N 0 0 373.888 2.936 10 0 FFAERN C[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)c1ccc(C(C)(C)C)cc1 ZINC000120999225 509106323 /nfs/dbraw/zinc/10/63/23/509106323.db2.gz HNDGODHBVPOCEL-CYBMUJFWSA-N 0 0 367.449 2.899 10 0 FFAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CSCC(=O)OC(C)(C)C ZINC000133040544 509108001 /nfs/dbraw/zinc/10/80/01/509108001.db2.gz KZQIQBYUWMQAPO-AWEZNQCLSA-N 0 0 367.515 2.775 10 0 FFAERN O[C@H](COCc1ccc(Cl)cc1)CN1CCO[C@H](c2ccco2)C1 ZINC000121041491 509116706 /nfs/dbraw/zinc/11/67/06/509116706.db2.gz FIGPOTYWMIDEIO-WMZOPIPTSA-N 0 0 351.830 2.884 10 0 FFAERN CCC[C@@H](NC(=O)c1ccc(C(=O)NC2CC2)cc1)C(=O)OC(C)(C)C ZINC000161542524 509127233 /nfs/dbraw/zinc/12/72/33/509127233.db2.gz NYMQUZZKTFYANC-MRXNPFEDSA-N 0 0 360.454 2.819 10 0 FFAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(N2CCOC2=O)c1 ZINC000152011740 509129582 /nfs/dbraw/zinc/12/95/82/509129582.db2.gz PITSPJXXUGBCOJ-HNNXBMFYSA-N 0 0 369.425 2.623 10 0 FFAERN Cc1ccc(I)cc1C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000156129337 509131439 /nfs/dbraw/zinc/13/14/39/509131439.db2.gz DHOZRRJNNLKXQF-QWRGUYRKSA-N 0 0 359.207 2.849 10 0 FFAERN CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121119998 509131944 /nfs/dbraw/zinc/13/19/44/509131944.db2.gz BHTAWHUZTDCHHX-LLVKDONJSA-N 0 0 356.875 2.762 10 0 FFAERN CN(C(=O)C1CC1)c1ccccc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121116880 509131971 /nfs/dbraw/zinc/13/19/71/509131971.db2.gz MSMVEUDPZFCTCD-IIBYNOLFSA-N 0 0 356.466 2.827 10 0 FFAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(OCc3cscn3)c2)C1 ZINC000121132131 509134472 /nfs/dbraw/zinc/13/44/72/509134472.db2.gz FKJLJXWOPIURQA-OAHLLOKOSA-N 0 0 374.466 2.855 10 0 FFAERN COCCCN(CCOC)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121156007 509140890 /nfs/dbraw/zinc/14/08/90/509140890.db2.gz DYSHQDDQNNXUKH-INIZCTEOSA-N 0 0 350.459 2.983 10 0 FFAERN O=C(Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)N1CCC[C@@H]1CO ZINC000121165425 509143513 /nfs/dbraw/zinc/14/35/13/509143513.db2.gz BAYVWCINUDMLAF-OAHLLOKOSA-N 0 0 358.369 2.540 10 0 FFAERN CCCC[C@@H](COC)NC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000133294770 509143547 /nfs/dbraw/zinc/14/35/47/509143547.db2.gz SYWKMUZYADIPOX-INIZCTEOSA-N 0 0 368.547 2.874 10 0 FFAERN C[C@@H]1CCC[C@H](C)N1C(=O)CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121170235 509144375 /nfs/dbraw/zinc/14/43/75/509144375.db2.gz HLLTXGOUASEDFS-ZFHGCVPZSA-N 0 0 352.425 2.862 10 0 FFAERN Cc1noc([C@H]2COCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)n1 ZINC000121181443 509145903 /nfs/dbraw/zinc/14/59/03/509145903.db2.gz RNAXNRFEWBIKBT-GFCCVEGCSA-N 0 0 359.279 2.750 10 0 FFAERN CC1(C)C[C@H](NC(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)CCO1 ZINC000161755710 509150332 /nfs/dbraw/zinc/15/03/32/509150332.db2.gz ODDFLDQINQNZBJ-XJKCOSOUSA-N 0 0 354.397 2.740 10 0 FFAERN CCOc1ccccc1N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000121232660 509153630 /nfs/dbraw/zinc/15/36/30/509153630.db2.gz ZMHUQIFPUOEWMU-UHFFFAOYSA-N 0 0 367.449 2.996 10 0 FFAERN COc1ccc(C(F)(F)C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000156279660 509154441 /nfs/dbraw/zinc/15/44/41/509154441.db2.gz WAGNWNSTTDLAEQ-CYBMUJFWSA-N 0 0 364.396 2.633 10 0 FFAERN COC(=O)c1ccc(F)c(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000161858921 509159084 /nfs/dbraw/zinc/15/90/84/509159084.db2.gz SFQIIBJQWSRYPS-ACJLOTCBSA-N 0 0 350.390 2.771 10 0 FFAERN O=C(N[C@H](CCCO)c1ccccc1)N1CCC(Cn2cccn2)CC1 ZINC000156320285 509159285 /nfs/dbraw/zinc/15/92/85/509159285.db2.gz GONDXEWALCHIEO-LJQANCHMSA-N 0 0 356.470 2.819 10 0 FFAERN COc1ccccc1/C(C)=C/C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133447154 509161044 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CC1(C)C[C@H](NC(=O)c2cccc(OCC(N)=O)c2)c2ccccc2O1 ZINC000121417795 509172711 /nfs/dbraw/zinc/17/27/11/509172711.db2.gz LINQGSOJKSFVJO-INIZCTEOSA-N 0 0 354.406 2.583 10 0 FFAERN C[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](O)c1ccc(F)cc1 ZINC000162209158 509176194 /nfs/dbraw/zinc/17/61/94/509176194.db2.gz ZVZQSNIHRPNASQ-BJJXKVORSA-N 0 0 366.433 2.621 10 0 FFAERN CC[C@H](NC(=O)NCc1cccnc1-n1cncn1)c1cc(F)ccc1F ZINC000172695621 509184431 /nfs/dbraw/zinc/18/44/31/509184431.db2.gz XAFGAPKSNWWBGY-INIZCTEOSA-N 0 0 372.379 2.891 10 0 FFAERN C[C@H](Oc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1)c1ccccc1 ZINC000191799538 509185937 /nfs/dbraw/zinc/18/59/37/509185937.db2.gz KGHCFVKTTMKIEI-OXJNMPFZSA-N 0 0 354.450 2.887 10 0 FFAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)nc2)c2ccc(F)cc2C1 ZINC000185454962 509186304 /nfs/dbraw/zinc/18/63/04/509186304.db2.gz BOQXZDYRZIHSKD-MRXNPFEDSA-N 0 0 360.364 2.975 10 0 FFAERN O=C(Nc1ccc(Cl)cn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000175868067 509187799 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Cn1nccc1C1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1 ZINC000195502931 509194820 /nfs/dbraw/zinc/19/48/20/509194820.db2.gz SVDHPRZNEQWDGD-UHFFFAOYSA-N 0 0 367.497 2.838 10 0 FFAERN C[C@@H](NC(=O)NC[C@@H]1CCC(C)(C)O1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000188661850 509200105 /nfs/dbraw/zinc/20/01/05/509200105.db2.gz YLKYXHCNMRJJGG-YPMHNXCESA-N 0 0 372.462 2.547 10 0 FFAERN C[C@H](C(=O)N1CCCN(c2cccnn2)CC1)c1cn(C)c2ccccc12 ZINC000185490687 509201945 /nfs/dbraw/zinc/20/19/45/509201945.db2.gz HSKIRSIYDJANLW-INIZCTEOSA-N 0 0 363.465 2.811 10 0 FFAERN CC(C)[C@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)c1cccnc1 ZINC000175893422 509202594 /nfs/dbraw/zinc/20/25/94/509202594.db2.gz OVVWEHCKTBPFRT-SFHVURJKSA-N 0 0 368.485 2.897 10 0 FFAERN C[C@H](C[C@H](O)c1cccs1)NC(=O)NCc1cccnc1-n1cccn1 ZINC000178958240 509203866 /nfs/dbraw/zinc/20/38/66/509203866.db2.gz SYMDVQRWHJOIDH-HIFRSBDPSA-N 0 0 371.466 2.640 10 0 FFAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247969964 509204497 /nfs/dbraw/zinc/20/44/97/509204497.db2.gz HGCYUIWGVGHLGP-BZUAXINKSA-N 0 0 372.387 2.749 10 0 FFAERN COc1c(C)c(O)c2c(c1OC)OC[C@@H](Cc1ccc(O)cc1O)C2=O ZINC000247973559 509205468 /nfs/dbraw/zinc/20/54/68/509205468.db2.gz UFYRDFXCXPHUDD-LLVKDONJSA-N 0 0 360.362 2.563 10 0 FFAERN COC(=O)c1cc(Br)ccc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191845084 509208019 /nfs/dbraw/zinc/20/80/19/509208019.db2.gz FREBWWRQIXWQLK-MWLCHTKSSA-N 0 0 356.216 2.989 10 0 FFAERN Cn1ccnc1CC1CCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000162370464 509209665 /nfs/dbraw/zinc/20/96/65/509209665.db2.gz YDQDLGXHIDBRDU-UHFFFAOYSA-N 0 0 370.428 2.539 10 0 FFAERN Cc1nc(-c2ccccc2)ccc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172748265 509211007 /nfs/dbraw/zinc/21/10/07/509211007.db2.gz GSSBAFGRTUYIAS-SFHVURJKSA-N 0 0 351.450 2.604 10 0 FFAERN C[C@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H](C)C1 ZINC000178978980 509211445 /nfs/dbraw/zinc/21/14/45/509211445.db2.gz SURPQJUUHPPKPI-GJZGRUSLSA-N 0 0 367.515 2.515 10 0 FFAERN COc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000188684469 509211966 /nfs/dbraw/zinc/21/19/66/509211966.db2.gz OZIKANFIUWMKOM-HNNXBMFYSA-N 0 0 358.369 2.721 10 0 FFAERN O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1CNC(=O)C1 ZINC000182392197 509212084 /nfs/dbraw/zinc/21/20/84/509212084.db2.gz YZKZGWJZAADCNA-WRWORJQWSA-N 0 0 354.250 2.561 10 0 FFAERN CCOc1ncccc1C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185509491 509213126 /nfs/dbraw/zinc/21/31/26/509213126.db2.gz HULMJAKOYBKZEU-GOSISDBHSA-N 0 0 371.412 2.843 10 0 FFAERN O=C(CCc1ccc(Cl)cc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000172756845 509216514 /nfs/dbraw/zinc/21/65/14/509216514.db2.gz UMMRHINRBSFLIQ-OAHLLOKOSA-N 0 0 357.281 2.859 10 0 FFAERN O=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178996785 509216688 /nfs/dbraw/zinc/21/66/88/509216688.db2.gz SPUVGGLJPYYQEZ-CVEARBPZSA-N 0 0 355.818 2.557 10 0 FFAERN Fc1cc2ncnc(N3CCC[C@H](c4nnc5n4CCC5)C3)c2cc1F ZINC000172757807 509216893 /nfs/dbraw/zinc/21/68/93/509216893.db2.gz 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COC(=O)c1cccc(NC(=O)CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000246534447 510542413 /nfs/dbraw/zinc/54/24/13/510542413.db2.gz JKMCRNMWZASYHX-IAGOWNOFSA-N 0 0 372.421 2.593 10 0 FFAERN Cc1ccc(OCCN(C)C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000181696151 510544631 /nfs/dbraw/zinc/54/46/31/510544631.db2.gz GLZLHJYUPWMGJO-MRXNPFEDSA-N 0 0 371.485 2.745 10 0 FFAERN CC(=O)c1cccc(OCCCC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000178323911 510546472 /nfs/dbraw/zinc/54/64/72/510546472.db2.gz MAKZWGUEUBGESF-FPOVZHCZSA-N 0 0 353.418 2.823 10 0 FFAERN CCCO[C@H]1CCCN(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000181701820 510547516 /nfs/dbraw/zinc/54/75/16/510547516.db2.gz HXNUDERPIMLKJX-HOTGVXAUSA-N 0 0 363.506 2.707 10 0 FFAERN CCOCCOCc1cccc(NC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000175245207 510549436 /nfs/dbraw/zinc/54/94/36/510549436.db2.gz DJSDQHGVNQCDSR-SFHVURJKSA-N 0 0 373.457 2.700 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCC(C(F)(F)F)CC1)CC2 ZINC000181708738 510550691 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COc1cc(OC)cc(N2CC[C@H](NC(=O)C[C@@H](O)c3ccccc3)C2)c1 ZINC000246564268 510559280 /nfs/dbraw/zinc/55/92/80/510559280.db2.gz XHZLYZADTIYWCK-OXJNMPFZSA-N 0 0 370.449 2.522 10 0 FFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCc3ccc([C@H](C)O)cc3)C2)n1 ZINC000172130579 510559470 /nfs/dbraw/zinc/55/94/70/510559470.db2.gz DVZITVNZBPCDDE-KBXCAEBGSA-N 0 0 371.485 2.570 10 0 FFAERN COc1cccc(NC(=O)CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000246566856 510560088 /nfs/dbraw/zinc/56/00/88/510560088.db2.gz FJIBXUKQQWDBRS-KSSFIOAISA-N 0 0 362.376 2.720 10 0 FFAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)C1 ZINC000188038645 510562233 /nfs/dbraw/zinc/56/22/33/510562233.db2.gz ICAKLFHGEWHWHP-UURKPOQGSA-N 0 0 372.465 2.542 10 0 FFAERN Cc1cccc(S(=O)(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1Cl ZINC000181730622 510563549 /nfs/dbraw/zinc/56/35/49/510563549.db2.gz VVLSNWDZBDUAQH-GFCCVEGCSA-N 0 0 368.890 2.657 10 0 FFAERN CCc1ccccc1N1C[C@H](C(=O)N[C@H]2COc3ccccc32)CC1=O ZINC000194863620 510564183 /nfs/dbraw/zinc/56/41/83/510564183.db2.gz PNPIIACJARGQTM-WBVHZDCISA-N 0 0 350.418 2.852 10 0 FFAERN Cc1c(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)nnn1-c1ccccc1Cl ZINC000178362201 510564856 /nfs/dbraw/zinc/56/48/56/510564856.db2.gz AYWLTTCJGLYQHC-QAPCUYQASA-N 0 0 368.824 2.617 10 0 FFAERN COc1ccc(Cn2cc(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)cn2)cc1 ZINC000246582295 510568720 /nfs/dbraw/zinc/56/87/20/510568720.db2.gz AURHZYMPLUATHE-OTWHNJEPSA-N 0 0 355.438 2.627 10 0 FFAERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCc2ccn3ccnc3c2)C1 ZINC000178366565 510569142 /nfs/dbraw/zinc/56/91/42/510569142.db2.gz GUBGZDYBKQNXDJ-CABCVRRESA-N 0 0 358.442 2.644 10 0 FFAERN Cn1cc([C@H]2CCN(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)C2)cn1 ZINC000172148967 510569946 /nfs/dbraw/zinc/56/99/46/510569946.db2.gz AXNULAADBPKOLB-KXBFYZLASA-N 0 0 370.453 2.999 10 0 FFAERN C[C@@H](C(=O)N1CCC(c2ccnn2C)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000191256574 510573593 /nfs/dbraw/zinc/57/35/93/510573593.db2.gz SEESQVNLXIGBAH-KGLIPLIRSA-N 0 0 364.490 2.675 10 0 FFAERN COC(=O)C[C@@H](NC(=O)c1cnn(CCC(F)(F)F)c1)c1ccccc1 ZINC000181748794 510573699 /nfs/dbraw/zinc/57/36/99/510573699.db2.gz NUAKBHFAONLTQR-CQSZACIVSA-N 0 0 369.343 2.870 10 0 FFAERN CCSCC[C@@H](C)N(C)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181754011 510574280 /nfs/dbraw/zinc/57/42/80/510574280.db2.gz QTWRIKNZNBQCLK-KGLIPLIRSA-N 0 0 353.536 2.889 10 0 FFAERN COc1cccc2[nH]cc(CC(=O)N3CCO[C@H](c4nccs4)C3)c21 ZINC000181753568 510574919 /nfs/dbraw/zinc/57/49/19/510574919.db2.gz YIUNEUBTFBJRMV-HNNXBMFYSA-N 0 0 357.435 2.776 10 0 FFAERN CCc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)n1 ZINC000246600186 510576579 /nfs/dbraw/zinc/57/65/79/510576579.db2.gz KMSYMGANJJCCAZ-XUWVNRHRSA-N 0 0 363.506 2.845 10 0 FFAERN Cc1cc(S(=O)(=O)N2CCC(Nc3nccs3)CC2)ccc1F ZINC000188092253 510589438 /nfs/dbraw/zinc/58/94/38/510589438.db2.gz SXCKCCCWSARYQK-UHFFFAOYSA-N 0 0 355.460 2.856 10 0 FFAERN O=C(Cc1c[nH]c2ccc(F)cc12)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000172193195 510591642 /nfs/dbraw/zinc/59/16/42/510591642.db2.gz FHZJSZOFXUGZIQ-QGZVFWFLSA-N 0 0 372.421 2.884 10 0 FFAERN Cc1nnc([C@@H](NC(=O)NCCCc2ccccn2)c2ccccc2)[nH]1 ZINC000178414296 510591705 /nfs/dbraw/zinc/59/17/05/510591705.db2.gz BGIJBUDFSRSPAE-KRWDZBQOSA-N 0 0 350.426 2.530 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1c(C)oc3ccccc31)CC2 ZINC000184933611 510592878 /nfs/dbraw/zinc/59/28/78/510592878.db2.gz JTUIPHVMHZFFQO-ZDUSSCGKSA-N 0 0 353.426 2.709 10 0 FFAERN O=C(N[C@@H]1CCCc2c[nH]nc21)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000269910900 510593704 /nfs/dbraw/zinc/59/37/04/510593704.db2.gz PCDIMKWPFJFTFC-APHBMKBZSA-N 0 0 362.380 2.583 10 0 FFAERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccc(OCC4CC4)cc3)CCO2)[nH]1 ZINC000178416528 510593815 /nfs/dbraw/zinc/59/38/15/510593815.db2.gz WCYCRPVRYUJMCU-INIZCTEOSA-N 0 0 371.441 2.761 10 0 FFAERN O=C(N[C@@H]1CCCc2c[nH]nc21)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000269910905 510595546 /nfs/dbraw/zinc/59/55/46/510595546.db2.gz PCDIMKWPFJFTFC-MAZHCROVSA-N 0 0 362.380 2.583 10 0 FFAERN CNC(=O)[C@H](NC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1)C(C)C ZINC000178427096 510598007 /nfs/dbraw/zinc/59/80/07/510598007.db2.gz RIAQFXSDPPYTLI-IUODEOHRSA-N 0 0 360.483 2.941 10 0 FFAERN COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)cc1 ZINC000246651017 510600758 /nfs/dbraw/zinc/60/07/58/510600758.db2.gz BVMZMPRPSUEDDS-WMLDXEAASA-N 0 0 360.479 2.949 10 0 FFAERN CNC(=O)[C@H](NC(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1)C(C)C ZINC000178434461 510601188 /nfs/dbraw/zinc/60/11/88/510601188.db2.gz JEPDXSORCGKZBB-CRAIPNDOSA-N 0 0 363.502 2.865 10 0 FFAERN C[C@H](NC(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1)c1ccccn1 ZINC000172219673 510605020 /nfs/dbraw/zinc/60/50/20/510605020.db2.gz DNOHJSHMPCGOBD-INIZCTEOSA-N 0 0 370.501 2.622 10 0 FFAERN CNC(=O)[C@H](NC(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C ZINC000184962318 510606286 /nfs/dbraw/zinc/60/62/86/510606286.db2.gz ZPXVMVLWQJKLCG-MRXNPFEDSA-N 0 0 351.878 3.000 10 0 FFAERN O=C(NCC[C@@H]1CCCCO1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000181812755 510607076 /nfs/dbraw/zinc/60/70/76/510607076.db2.gz HRMXITMYLCOIDN-SFHVURJKSA-N 0 0 365.518 2.770 10 0 FFAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)CCO2)c1 ZINC000246660530 510607220 /nfs/dbraw/zinc/60/72/20/510607220.db2.gz RXZUBCMCOWMYMZ-ILXRZTDVSA-N 0 0 374.407 2.723 10 0 FFAERN COCCN1CCN(C(=O)c2ccc(N(C)c3ccccc3)nc2)C[C@H]1C ZINC000172224712 510608285 /nfs/dbraw/zinc/60/82/85/510608285.db2.gz XJZZKQSXKNPUAB-QGZVFWFLSA-N 0 0 368.481 2.642 10 0 FFAERN C[C@H](O)CN1CCN(C(=O)[C@H](C)Sc2ccccc2Cl)C[C@H]1C ZINC000246669490 510608964 /nfs/dbraw/zinc/60/89/64/510608964.db2.gz HWJKWISTSYJVMM-RDBSUJKOSA-N 0 0 356.919 2.734 10 0 FFAERN CC(C)Oc1cncc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000178451379 510610228 /nfs/dbraw/zinc/61/02/28/510610228.db2.gz IUEBMKFEINUSCJ-INIZCTEOSA-N 0 0 360.435 2.517 10 0 FFAERN C[C@@H](NC(=O)C[C@](C)(O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000181822076 510610745 /nfs/dbraw/zinc/61/07/45/510610745.db2.gz WFBCQLLEDXBCPH-KUHUBIRLSA-N 0 0 361.463 2.565 10 0 FFAERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)C1(C)C ZINC000246675528 510612332 /nfs/dbraw/zinc/61/23/32/510612332.db2.gz CZAVCSYKCAAADA-SOUVJXGZSA-N 0 0 363.506 2.561 10 0 FFAERN CCOc1ccnc(N2CCN(Cc3ccc(Br)o3)CC2)n1 ZINC000191339752 510613609 /nfs/dbraw/zinc/61/36/09/510613609.db2.gz YQVYBJDXAJILSN-UHFFFAOYSA-N 0 0 367.247 2.553 10 0 FFAERN O=C(NCc1ccc(N2CCCC2=O)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000178457659 510614112 /nfs/dbraw/zinc/61/41/12/510614112.db2.gz GTFOZUXOVXQFFE-UWJYYQICSA-N 0 0 371.481 2.650 10 0 FFAERN O=C(Nc1ccn(CCc2ccncc2)n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178458054 510614404 /nfs/dbraw/zinc/61/44/04/510614404.db2.gz QQZINMMWQYIBNW-YLJYHZDGSA-N 0 0 369.469 2.680 10 0 FFAERN COc1ccnc(N2CCC(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)CC2)n1 ZINC000194974392 510615172 /nfs/dbraw/zinc/61/51/72/510615172.db2.gz WVTOBVWHCUPVIS-IRXDYDNUSA-N 0 0 370.428 2.513 10 0 FFAERN O=C([C@H]1CC(c2cccnc2)=NO1)N1CCC(Nc2ccccc2F)CC1 ZINC000188143532 510615168 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/nfs/dbraw/zinc/64/79/63/250647963.db2.gz CFTQYOJUXCWTEL-DZZUKKPASA-N 0 0 370.453 2.988 10 0 FFAERN O=C(NCC1(c2cccc(Cl)c2)CC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000121067448 250658429 /nfs/dbraw/zinc/65/84/29/250658429.db2.gz BVYHHPYAOQXCGF-QGZVFWFLSA-N 0 0 374.872 2.679 10 0 FFAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CNC(=O)Cc3ccccc3)C2)cc1 ZINC000121247498 250678784 /nfs/dbraw/zinc/67/87/84/250678784.db2.gz RHNFXDNJZXRQJJ-APWZRJJASA-N 0 0 366.461 2.759 10 0 FFAERN CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121478560 250708636 /nfs/dbraw/zinc/70/86/36/250708636.db2.gz ZRAYRLKYXWZERE-OAHLLOKOSA-N 0 0 353.484 2.866 10 0 FFAERN Cc1cc(C)cc(CCC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000122384873 250723211 /nfs/dbraw/zinc/72/32/11/250723211.db2.gz JNQRIMRCXWYAKR-UYAOXDASSA-N 0 0 355.482 2.942 10 0 FFAERN Cn1nccc1C1CCN(C(=O)CCc2nnc(C3CCCC3)o2)CC1 ZINC000127258716 250723658 /nfs/dbraw/zinc/72/36/58/250723658.db2.gz KWGLFMDBMLDVPM-UHFFFAOYSA-N 0 0 357.458 2.800 10 0 FFAERN C[C@@H](NC(=O)NCC1(c2cccc(F)c2)CC1)c1nnc2n1CCCC2 ZINC000129261563 250820099 /nfs/dbraw/zinc/82/00/99/250820099.db2.gz BSDGLOXDNAVFNP-CYBMUJFWSA-N 0 0 357.433 2.846 10 0 FFAERN C[C@H](c1cnn(C)c1)N(C)C(=O)C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000129649386 250848233 /nfs/dbraw/zinc/84/82/33/250848233.db2.gz VVGFDHBVHAZGKK-GFCCVEGCSA-N 0 0 374.872 2.917 10 0 FFAERN Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)o2)n(Cc2ccccc2)n1 ZINC000130531383 250913355 /nfs/dbraw/zinc/91/33/55/250913355.db2.gz AFKYYQNRMZPULR-HNNXBMFYSA-N 0 0 366.421 2.957 10 0 FFAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000130469957 250910262 /nfs/dbraw/zinc/91/02/62/250910262.db2.gz DMJUCAJLZDESFV-KRWDZBQOSA-N 0 0 365.441 2.987 10 0 FFAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000131780536 251018367 /nfs/dbraw/zinc/01/83/67/251018367.db2.gz GXLRYPHMJRFGRD-LIRRHRJNSA-N 0 0 352.434 2.612 10 0 FFAERN O=C(c1ccc(Br)cc1O)N1CCC(Cn2cccn2)CC1 ZINC000131957481 251033544 /nfs/dbraw/zinc/03/35/44/251033544.db2.gz HPPRPRANGSZIIU-UHFFFAOYSA-N 0 0 364.243 2.904 10 0 FFAERN Cc1ccn(-c2ccccc2CNc2cc(N3CCC[C@H]3CO)ncn2)n1 ZINC000132214315 251055670 /nfs/dbraw/zinc/05/56/70/251055670.db2.gz XVXUSXNFNNCGMW-KRWDZBQOSA-N 0 0 364.453 2.544 10 0 FFAERN CC/C(=C/C(=O)N[C@@H]1CCCn2nc(COC)nc21)c1ccc(OC)cc1 ZINC000132220880 251056900 /nfs/dbraw/zinc/05/69/00/251056900.db2.gz ZTNFXZUTBOUVFO-BHEFUSTPSA-N 0 0 370.453 2.878 10 0 FFAERN CCc1ncsc1C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000151357536 251067144 /nfs/dbraw/zinc/06/71/44/251067144.db2.gz NBLGXBANSJJDLS-AWEZNQCLSA-N 0 0 365.524 2.913 10 0 FFAERN Cc1[nH]c(=O)c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1Br ZINC000132245538 251058927 /nfs/dbraw/zinc/05/89/27/251058927.db2.gz ABLMADGIFXDEEU-MEDUHNTESA-N 0 0 369.259 2.625 10 0 FFAERN C[C@@H](NC(=O)N1CCOC2(C1)CCCCCC2)c1nnc2n1CCCC2 ZINC000153134002 251105371 /nfs/dbraw/zinc/10/53/71/251105371.db2.gz ZZUNUYMFCXQZFX-OAHLLOKOSA-N 0 0 361.490 2.810 10 0 FFAERN C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cc(Cl)cc(Cl)c4)no3)C[C@@H]21 ZINC000153168713 251109039 /nfs/dbraw/zinc/10/90/39/251109039.db2.gz MTULSAJVRKOYSL-QWHCGFSZSA-N 0 0 355.225 2.563 10 0 FFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCc2ccccc2[C@@H]1C ZINC000153162732 251109130 /nfs/dbraw/zinc/10/91/30/251109130.db2.gz DDEOUTZSMLBXCA-BBRMVZONSA-N 0 0 355.442 2.588 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000153149462 251106423 /nfs/dbraw/zinc/10/64/23/251106423.db2.gz ZYVJLKISQAJGNW-QGZVFWFLSA-N 0 0 369.469 2.821 10 0 FFAERN CCOCc1cccc(NC(=O)N2CCC(c3ccnn3CCO)CC2)c1 ZINC000153384372 251131986 /nfs/dbraw/zinc/13/19/86/251131986.db2.gz QYLYTFWRZWGWRU-UHFFFAOYSA-N 0 0 372.469 2.823 10 0 FFAERN CCn1cc(C2CCN(C(=O)Nc3ccc(-n4ccnn4)cc3)CC2)cn1 ZINC000153416887 251134976 /nfs/dbraw/zinc/13/49/76/251134976.db2.gz BGAHVQUZVPLARH-UHFFFAOYSA-N 0 0 365.441 2.895 10 0 FFAERN CCc1ccc(CCNC(=O)N2CCN([C@@H](C)c3nc(C)no3)CC2)cc1 ZINC000153476013 251142019 /nfs/dbraw/zinc/14/20/19/251142019.db2.gz UJGPNWCXWQBRNZ-HNNXBMFYSA-N 0 0 371.485 2.571 10 0 FFAERN COc1cc(C)ccc1CNC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000153496456 251144567 /nfs/dbraw/zinc/14/45/67/251144567.db2.gz JIBUOYGFKWJWFX-GOSISDBHSA-N 0 0 367.449 2.710 10 0 FFAERN C[C@H](NC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1)c1nnc2n1CCCC2 ZINC000153511316 251147170 /nfs/dbraw/zinc/14/71/70/251147170.db2.gz JVVDJGSTPVGSMI-VYDXJSESSA-N 0 0 369.469 2.847 10 0 FFAERN Cn1nccc1C1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000162897981 251157487 /nfs/dbraw/zinc/15/74/87/251157487.db2.gz DBRCGLUOOPWLHZ-JQHSSLGASA-N 0 0 358.486 2.657 10 0 FFAERN Cc1ccc([C@H]2CN(C(=O)C(=O)Nc3ccccc3OC(C)C)CCO2)o1 ZINC000162925188 251159861 /nfs/dbraw/zinc/15/98/61/251159861.db2.gz JZKDZSQFEVFZRK-GOSISDBHSA-N 0 0 372.421 2.914 10 0 FFAERN O=C(NCc1ccc(-n2cccn2)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000163207144 251177497 /nfs/dbraw/zinc/17/74/97/251177497.db2.gz QULVKKVPTSIUJY-XLIONFOSSA-N 0 0 354.454 2.709 10 0 FFAERN C[C@@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000173535244 251200180 /nfs/dbraw/zinc/20/01/80/251200180.db2.gz ZISIEVGIBOITQU-HNNXBMFYSA-N 0 0 368.433 2.672 10 0 FFAERN C[C@H](COCc1ccccc1)NC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000173535256 251200331 /nfs/dbraw/zinc/20/03/31/251200331.db2.gz ZISIEVGIBOITQU-OAHLLOKOSA-N 0 0 368.433 2.672 10 0 FFAERN Cc1nnc([C@H]2CN(C(=O)CCCOc3ccccc3Cl)CCO2)[nH]1 ZINC000173530170 251200395 /nfs/dbraw/zinc/20/03/95/251200395.db2.gz NDVZQVXWJXTIJL-OAHLLOKOSA-N 0 0 364.833 2.526 10 0 FFAERN CCc1nnc([C@@H]2CN(C(=O)c3cc4c(s3)CCCCC4)CCO2)[nH]1 ZINC000173559854 251206609 /nfs/dbraw/zinc/20/66/09/251206609.db2.gz YNJBUDRQTSLITQ-ZDUSSCGKSA-N 0 0 360.483 2.911 10 0 FFAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000173565067 251208034 /nfs/dbraw/zinc/20/80/34/251208034.db2.gz DKHXFBLQTYBHJU-IMJJTQAJSA-N 0 0 368.499 2.559 10 0 FFAERN CCOc1ccc(/C=C/C(=O)N2CCC(c3nc(N(C)C)no3)CC2)cc1 ZINC000186756029 251257745 /nfs/dbraw/zinc/25/77/45/251257745.db2.gz SQGMSIKYESGQPS-JXMROGBWSA-N 0 0 370.453 2.954 10 0 FFAERN COc1ccccc1/C(C)=C/C(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000186754184 251258340 /nfs/dbraw/zinc/25/83/40/251258340.db2.gz DQMOQAOGJRMKKS-BUHFOSPRSA-N 0 0 370.453 2.954 10 0 FFAERN COc1ccccc1-n1ncc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1C ZINC000192570773 251290459 /nfs/dbraw/zinc/29/04/59/251290459.db2.gz MRCGBZRKCNAVHT-MRXNPFEDSA-N 0 0 366.425 2.675 10 0 FFAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186815846 251269183 /nfs/dbraw/zinc/26/91/83/251269183.db2.gz DXGMESHRBBYYFV-PXAZEXFGSA-N 0 0 361.392 2.706 10 0 FFAERN COC(=O)c1scc(C)c1NC(=O)NCc1cccnc1-n1cccn1 ZINC000186840955 251273717 /nfs/dbraw/zinc/27/37/17/251273717.db2.gz HVYAFARGWRNLGT-UHFFFAOYSA-N 0 0 371.422 2.746 10 0 FFAERN CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2cscn2)[C@H]1Oc1ccccc1 ZINC000252003800 251307610 /nfs/dbraw/zinc/30/76/10/251307610.db2.gz ZHDSXXUJOZXGPF-BRWVUGGUSA-N 0 0 361.467 2.910 10 0 FFAERN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](n3cc(C)cn3)C2)cc1OC ZINC000252353554 251308818 /nfs/dbraw/zinc/30/88/18/251308818.db2.gz ZSNFOPAOSQOEFB-NVXWUHKLSA-N 0 0 372.469 2.873 10 0 FFAERN CCn1cc([C@@H]2CN(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)CCO2)cn1 ZINC000253279671 251315389 /nfs/dbraw/zinc/31/53/89/251315389.db2.gz STKDEDPQZABTKM-BZSNNMDCSA-N 0 0 358.417 2.681 10 0 FFAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)N[C@H]3CCC[C@H]3CCO)C2)c1 ZINC000251559767 251297733 /nfs/dbraw/zinc/29/77/33/251297733.db2.gz GLQKGYPNPHJIPY-KHYOSLBOSA-N 0 0 362.470 2.754 10 0 FFAERN CCO[C@@H]1C[C@H](NC(=O)Cc2c[nH]c3ncccc23)[C@H]1Oc1ccccc1 ZINC000251436486 251298081 /nfs/dbraw/zinc/29/80/81/251298081.db2.gz CIDVCVBONYAXBM-NLWGTHIKSA-N 0 0 365.433 2.847 10 0 FFAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000251656746 251299745 /nfs/dbraw/zinc/29/97/45/251299745.db2.gz HTXRGXLGMYRGFV-YRXWBPOGSA-N 0 0 362.445 2.848 10 0 FFAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)C1 ZINC000251619259 251299854 /nfs/dbraw/zinc/29/98/54/251299854.db2.gz GLDULRCHGNHJNT-ZVDSWSACSA-N 0 0 352.475 2.754 10 0 FFAERN Fc1ccc(Cc2nnc(N3CCCN(c4cccnn4)CC3)s2)cc1 ZINC000273207266 252251259 /nfs/dbraw/zinc/25/12/59/252251259.db2.gz MMUOPUBJWBLWQP-UHFFFAOYSA-N 0 0 370.457 2.775 10 0 FFAERN CC[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000277008075 256151906 /nfs/dbraw/zinc/15/19/06/256151906.db2.gz ALCGIOORVGAGIB-DZGCQCFKSA-N 0 0 360.483 2.545 10 0 FFAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(OC3CCC3)cc2)C1 ZINC000277453103 256199377 /nfs/dbraw/zinc/19/93/77/256199377.db2.gz GLGDXKOUOSQFNZ-IRXDYDNUSA-N 0 0 357.410 2.912 10 0 FFAERN Cc1ccn2ncc(C(=O)N3CCC[C@@H]3c3nc4c(n3C)CCCC4)c2n1 ZINC000279204302 256392575 /nfs/dbraw/zinc/39/25/75/256392575.db2.gz NETNATQDFCNYIJ-QGZVFWFLSA-N 0 0 364.453 2.627 10 0 FFAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000294111199 257574593 /nfs/dbraw/zinc/57/45/93/257574593.db2.gz DHHIWJLXVWMCCY-UONOGXRCSA-N 0 0 359.430 2.503 10 0 FFAERN CCOc1ccccc1C1=CCN(c2nn3c(nccc3=O)s2)CC1 ZINC000301111317 258025865 /nfs/dbraw/zinc/02/58/65/258025865.db2.gz ROMDLLJAJLYKKM-UHFFFAOYSA-N 0 0 354.435 2.843 10 0 FFAERN FC(F)(F)c1cc(N2CCC3(C2)OCCO3)nc(-c2ccccn2)n1 ZINC000301188012 258032894 /nfs/dbraw/zinc/03/28/94/258032894.db2.gz FVOTWPZVCANTIH-UHFFFAOYSA-N 0 0 352.316 2.511 10 0 FFAERN Cc1n[nH]c(C)c1CNc1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1 ZINC000301238041 258036295 /nfs/dbraw/zinc/03/62/95/258036295.db2.gz NCECDZISAUJXOH-UHFFFAOYSA-N 0 0 365.503 2.841 10 0 FFAERN Cc1cc(N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)n2nc(C(F)(F)F)nc2n1 ZINC000301326973 258042820 /nfs/dbraw/zinc/04/28/20/258042820.db2.gz BNUIMHDBXGPQMW-YUSALJHKSA-N 0 0 355.364 2.701 10 0 FFAERN CCc1cc(=O)n2nc(N3CCO[C@H](c4ccccc4C)C3)sc2n1 ZINC000301397601 258047272 /nfs/dbraw/zinc/04/72/72/258047272.db2.gz AGLPXEXJZYNMGQ-HNNXBMFYSA-N 0 0 356.451 2.600 10 0 FFAERN COC(=O)[C@@]12CCC[C@@H]1CN(c1ccc(C(=O)Nc3ccccc3)nn1)C2 ZINC000302174918 258092687 /nfs/dbraw/zinc/09/26/87/258092687.db2.gz MQTINUWPBROORG-JLTOFOAXSA-N 0 0 366.421 2.508 10 0 FFAERN CCNC(=O)c1ccc(N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)nc1 ZINC000302185068 258093586 /nfs/dbraw/zinc/09/35/86/258093586.db2.gz GZMHAXFNVTWEEA-SFHVURJKSA-N 0 0 370.428 2.876 10 0 FFAERN COc1ccc2c(c1)CCCN2C(=O)CN1CCC[C@@H](n2cccn2)C1 ZINC000328721522 258119018 /nfs/dbraw/zinc/11/90/18/258119018.db2.gz WWKVYOBNAFDQBY-QGZVFWFLSA-N 0 0 354.454 2.508 10 0 FFAERN COC(=O)[C@@]12CCC[C@@H]1CN(c1ncnc3nc(SC)sc31)C2 ZINC000302205070 258095362 /nfs/dbraw/zinc/09/53/62/258095362.db2.gz WTCPXLOUBPWUDK-RFAUZJTJSA-N 0 0 350.469 2.588 10 0 FFAERN Cc1nc(C)n(C[C@@H]2CCCN(c3ncccc3C(=O)OC(C)C)C2)n1 ZINC000302204700 258095381 /nfs/dbraw/zinc/09/53/81/258095381.db2.gz CQJSVHHGGXQMQM-MRXNPFEDSA-N 0 0 357.458 2.772 10 0 FFAERN CNc1nc(NCC[C@](C)(O)c2ccccc2)ncc1Br ZINC000302524565 258105116 /nfs/dbraw/zinc/10/51/16/258105116.db2.gz JQBUEHAJHSUPRW-HNNXBMFYSA-N 0 0 351.248 2.991 10 0 FFAERN O[C@@]1(CNc2nccn3c2nnc3C2CC2)CCC[C@H](C(F)(F)F)C1 ZINC000302541945 258105130 /nfs/dbraw/zinc/10/51/30/258105130.db2.gz 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C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)Cc1ccccc1C(N)=O ZINC000191416389 510649430 /nfs/dbraw/zinc/64/94/30/510649430.db2.gz KCNUUXXJZZJDOM-SIFCLUCFSA-N 0 0 352.434 2.705 10 0 FFAERN Cn1cc(-c2cc(CN3C[C@@H](O)C[C@@H]3c3cc(F)ccc3F)on2)cn1 ZINC000185041291 510650767 /nfs/dbraw/zinc/65/07/67/510650767.db2.gz BJBYGMKNAZQSPE-SCLBCKFNSA-N 0 0 360.364 2.661 10 0 FFAERN CCc1c(C(=O)N2CCN3CCCC[C@@H]3C2)cnn1Cc1ccccc1 ZINC000195057512 510651369 /nfs/dbraw/zinc/65/13/69/510651369.db2.gz XMFUYNCXIZSTHA-GOSISDBHSA-N 0 0 352.482 2.804 10 0 FFAERN Cc1nnc([C@H]2CN(C(=O)[C@H](C)c3ccc4ccccc4c3)CCO2)[nH]1 ZINC000175448474 510651471 /nfs/dbraw/zinc/65/14/71/510651471.db2.gz RKPLDFLWKPGYKY-FZKQIMNGSA-N 0 0 350.422 2.970 10 0 FFAERN CCc1nc2cc(NC(=O)N3CCN(c4cc(C)[nH]n4)CC3)ccc2o1 ZINC000188214504 510652253 /nfs/dbraw/zinc/65/22/53/510652253.db2.gz CNFIKZMWMUERJO-UHFFFAOYSA-N 0 0 354.414 2.776 10 0 FFAERN Cn1cc([C@H]2[C@@H](C(=O)N3CCC(C(C)(C)C)CC3)CCC(=O)N2C)cn1 ZINC000172297629 510652715 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Cc1cc(C(=O)N2CCC(c3ccnn3CCO)CC2)c(C)n1C1CC1 ZINC000181917791 510659345 /nfs/dbraw/zinc/65/93/45/510659345.db2.gz HHWQAEGVROAMBE-UHFFFAOYSA-N 0 0 356.470 2.648 10 0 FFAERN CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)CCCC1 ZINC000178557671 510661337 /nfs/dbraw/zinc/66/13/37/510661337.db2.gz UVRGFPICTJKFQM-CVEARBPZSA-N 0 0 360.454 2.598 10 0 FFAERN CC1(C)[C@H](NC(=O)C(=O)Nc2cccnc2-c2ccccc2)[C@H]2CCO[C@H]21 ZINC000246767013 510662059 /nfs/dbraw/zinc/66/20/59/510662059.db2.gz OYVDMVYSVHBGKP-ZTFGCOKTSA-N 0 0 365.433 2.617 10 0 FFAERN O[C@@H]1C[C@H](CN[C@@H](c2cccs2)c2ncc[nH]2)N(Cc2ccccc2)C1 ZINC000195084556 510663488 /nfs/dbraw/zinc/66/34/88/510663488.db2.gz UAXIXTXLIOZXNE-LMMKCTJWSA-N 0 0 368.506 2.786 10 0 FFAERN CC(C)(C)SCCCC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000181929722 510664420 /nfs/dbraw/zinc/66/44/20/510664420.db2.gz IZPIIQGRHDWGKP-UHFFFAOYSA-N 0 0 353.532 2.893 10 0 FFAERN Cc1cccc2c(CC(=O)N3CCC(c4ccnn4CCO)CC3)c[nH]c21 ZINC000181928055 510664466 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/nfs/dbraw/zinc/69/72/54/510697254.db2.gz URQSSJOBXJVQFS-GJZGRUSLSA-N 0 0 354.376 2.933 10 0 FFAERN CCN(C)C(=O)c1cccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000246832280 510698685 /nfs/dbraw/zinc/69/86/85/510698685.db2.gz QFWDDMXQRZTPIG-KZNAEPCWSA-N 0 0 356.466 2.856 10 0 FFAERN CC(C)(C)OC(=O)NC1(C(=O)N2CCC(c3cc[nH]n3)CC2)CCCC1 ZINC000172385168 510700828 /nfs/dbraw/zinc/70/08/28/510700828.db2.gz OERPBIQYYCPVJY-UHFFFAOYSA-N 0 0 362.474 2.953 10 0 FFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](OCC)c2ccccc2)C1 ZINC000195175906 510701250 /nfs/dbraw/zinc/70/12/50/510701250.db2.gz VJNBGZDIIXMKMN-MSOLQXFVSA-N 0 0 361.486 2.855 10 0 FFAERN CCc1ccc([C@H](COC)NC(=O)N2CCC(Nc3cccnn3)CC2)o1 ZINC000175631286 510702316 /nfs/dbraw/zinc/70/23/16/510702316.db2.gz FKYWLUIMAWPFEO-INIZCTEOSA-N 0 0 373.457 2.606 10 0 FFAERN C[C@H](NC(=O)NCCC1CCN(CC(F)(F)F)CC1)[C@H]1CCCO1 ZINC000175632933 510703154 /nfs/dbraw/zinc/70/31/54/510703154.db2.gz BEAZFFAXFMOGRJ-GXTWGEPZSA-N 0 0 351.413 2.518 10 0 FFAERN O=C(c1cncn1-c1ccc(F)cc1)N1CCC(Cn2cccn2)CC1 ZINC000172394678 510705945 /nfs/dbraw/zinc/70/59/45/510705945.db2.gz WZWMMXQXDBCYHK-UHFFFAOYSA-N 0 0 353.401 2.760 10 0 FFAERN C[C@@H]1CN(C(=O)NCc2ccc(C(F)(F)F)cc2)C[C@@H]1N1CCOCC1 ZINC000175643100 510708844 /nfs/dbraw/zinc/70/88/44/510708844.db2.gz QWNIBCWOILCXEV-CJNGLKHVSA-N 0 0 371.403 2.568 10 0 FFAERN O=C(NCc1cccnc1-n1cncn1)c1cc2ccccc2c(Cl)n1 ZINC000178663631 510709417 /nfs/dbraw/zinc/70/94/17/510709417.db2.gz WWKJVWWQODGZGO-UHFFFAOYSA-N 0 0 364.796 2.794 10 0 FFAERN C[C@H](O)CN1CCN(C(=O)c2ccccc2C(=O)c2cccs2)C[C@@H]1C ZINC000246851734 510709888 /nfs/dbraw/zinc/70/98/88/510709888.db2.gz VBTFUPTXKXOIJR-GJZGRUSLSA-N 0 0 372.490 2.506 10 0 FFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccccc1OC(F)F ZINC000175647747 510711850 /nfs/dbraw/zinc/71/18/50/510711850.db2.gz LUGHASMHZSTZRG-GFCCVEGCSA-N 0 0 351.357 2.522 10 0 FFAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C[C@H](C)c1ccc(OC)cc1 ZINC000191548834 510716830 /nfs/dbraw/zinc/71/68/30/510716830.db2.gz UJOZBRRDUJCLAX-AWEZNQCLSA-N 0 0 360.479 2.770 10 0 FFAERN CCCNC(=O)c1cccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000246868289 510718468 /nfs/dbraw/zinc/71/84/68/510718468.db2.gz QWPUDFCLKWPHNR-KZNAEPCWSA-N 0 0 356.466 2.904 10 0 FFAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cccnc1C(F)(F)F ZINC000188344807 510719938 /nfs/dbraw/zinc/71/99/38/510719938.db2.gz MFPJWMTUROVFIO-GFCCVEGCSA-N 0 0 370.352 2.749 10 0 FFAERN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000195219446 510722546 /nfs/dbraw/zinc/72/25/46/510722546.db2.gz MKSVFPWSNDGVDE-GFCCVEGCSA-N 0 0 373.840 2.905 10 0 FFAERN C[C@@H](NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O)c1ccc(F)c(F)c1 ZINC000182048227 510729176 /nfs/dbraw/zinc/72/91/76/510729176.db2.gz VXCKLXIBPYNBIQ-PXAZEXFGSA-N 0 0 374.391 2.916 10 0 FFAERN Cc1nn(C)c(C)c1CCNC(=O)N1Cc2ccccc2N(C)C[C@H]1C ZINC000175688207 510734664 /nfs/dbraw/zinc/73/46/64/510734664.db2.gz NRUKVRDLZRPTMP-CQSZACIVSA-N 0 0 355.486 2.630 10 0 FFAERN O=C(CN1CCS[C@H]2COCC[C@H]21)Nc1ccccc1Br 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ZINC000153035952 251093635 /nfs/dbraw/zinc/09/36/35/251093635.db2.gz CGJPQRBUDPRJIL-UHFFFAOYSA-N 0 0 364.396 2.781 10 0 FFAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000153176997 251111071 /nfs/dbraw/zinc/11/10/71/251111071.db2.gz BJMOKYRTRIFKLA-CRAIPNDOSA-N 0 0 372.465 2.564 10 0 FFAERN Cc1ccccc1OCCN(C)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000153203563 251112738 /nfs/dbraw/zinc/11/27/38/251112738.db2.gz BSJAEDYBSJXCFH-OAHLLOKOSA-N 0 0 357.458 2.704 10 0 FFAERN C[C@H](NC(=O)N1CC[C@H](Cc2ccccc2)C1)c1nnc2n1CCCC2 ZINC000153241872 251117272 /nfs/dbraw/zinc/11/72/72/251117272.db2.gz SCUJCSDKBSCKSU-DOTOQJQBSA-N 0 0 353.470 2.950 10 0 FFAERN COc1cc(/C=C/C(=O)N2CC[C@@]3(CCOC3)C2)ccc1OC(F)F ZINC000153245467 251117284 /nfs/dbraw/zinc/11/72/84/251117284.db2.gz DASWVBRRXFGGEA-YWPBOTNQSA-N 0 0 353.365 2.949 10 0 FFAERN Cc1nc(CN2CCCN(C(=O)NC[C@@]3(C)CCCS3)CC2)cs1 ZINC000153347173 251127144 /nfs/dbraw/zinc/12/71/44/251127144.db2.gz IZTPFNYKXRKPRH-QGZVFWFLSA-N 0 0 368.572 2.955 10 0 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COc1ccc(Cn2cc(C(=O)N3CC[C@H]4OCCC[C@@H]4C3)cn2)cc1 ZINC000163213568 251177815 /nfs/dbraw/zinc/17/78/15/251177815.db2.gz CWSRMBZNEMVDTG-VQIMIIECSA-N 0 0 355.438 2.581 10 0 FFAERN Cc1sc2nc(CN3CC[C@H](CNc4ccccn4)C3)[nH]c(=O)c2c1C ZINC000163460005 251191173 /nfs/dbraw/zinc/19/11/73/251191173.db2.gz FMACDBVTKPIFPF-CQSZACIVSA-N 0 0 369.494 2.930 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCCC[C@H]1c1ccc(C)o1)CC2 ZINC000173496023 251192817 /nfs/dbraw/zinc/19/28/17/251192817.db2.gz NSZXEQDPOHWISF-CABCVRRESA-N 0 0 357.458 2.994 10 0 FFAERN Cc1nnc([C@H]2CN(C(=O)C=Cc3ccc(C(F)(F)F)cc3)CCO2)[nH]1 ZINC000173547380 251203833 /nfs/dbraw/zinc/20/38/33/251203833.db2.gz HECQFOJJRRYCCF-BTKRWWFXSA-N 0 0 366.343 2.745 10 0 FFAERN C[C@H]1CCCN(S(=O)(=O)N2CCC(Nc3ccccc3F)CC2)C1 ZINC000173507464 251195482 /nfs/dbraw/zinc/19/54/82/251195482.db2.gz YRMTXEXRKUBIPX-AWEZNQCLSA-N 0 0 355.479 2.679 10 0 FFAERN Cc1nnc([C@@H]2CN(C(=O)C=Cc3cccc(C(F)(F)F)c3)CCO2)[nH]1 ZINC000173518696 251198538 /nfs/dbraw/zinc/19/85/38/251198538.db2.gz UVLFEFNLABHOQJ-GJBLVYBDSA-N 0 0 366.343 2.745 10 0 FFAERN Cc1nnc([C@@H]2CN(C(=O)[C@H](C)Oc3ccc(C(C)C)c(C)c3)CCO2)[nH]1 ZINC000173550918 251203985 /nfs/dbraw/zinc/20/39/85/251203985.db2.gz BBNCWDLCHUCYEC-KSSFIOAISA-N 0 0 372.469 2.912 10 0 FFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@H]1SCCc2ccccc21 ZINC000173527763 251200624 /nfs/dbraw/zinc/20/06/24/251200624.db2.gz YDDUBMZGOYYCCK-YJBOKZPZSA-N 0 0 354.479 2.592 10 0 FFAERN Cc1nnc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)CCO2)[nH]1 ZINC000173539445 251201934 /nfs/dbraw/zinc/20/19/34/251201934.db2.gz NMRRSPHKVPRWDU-QYZOEREBSA-N 0 0 362.433 2.970 10 0 FFAERN Cc1nnc([C@@H]2CN(C(=O)c3csc(-c4ccc(F)cc4)n3)CCO2)[nH]1 ZINC000173543476 251202764 /nfs/dbraw/zinc/20/27/64/251202764.db2.gz AHSNUXBWQJEZKD-AWEZNQCLSA-N 0 0 373.413 2.589 10 0 FFAERN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)CCO2)[nH]1 ZINC000173539413 251202976 /nfs/dbraw/zinc/20/29/76/251202976.db2.gz NMRRSPHKVPRWDU-QRVBRYPASA-N 0 0 362.433 2.970 10 0 FFAERN Cc1nnc([C@@H](NC(=O)NCc2nccn2CC(C)C)c2ccccc2)[nH]1 ZINC000175470047 251213576 /nfs/dbraw/zinc/21/35/76/251213576.db2.gz BUXOSOYUQQUJFY-KRWDZBQOSA-N 0 0 367.457 2.554 10 0 FFAERN C[C@H](C(=O)Nc1nccs1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175507980 251220041 /nfs/dbraw/zinc/22/00/41/251220041.db2.gz CAHBZMDVFHPDPA-CQSZACIVSA-N 0 0 364.515 2.585 10 0 FFAERN CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000175512530 251220185 /nfs/dbraw/zinc/22/01/85/251220185.db2.gz XYXUIFKDHCUADT-WMLDXEAASA-N 0 0 370.457 2.675 10 0 FFAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCCCNc2ccccn2)C1 ZINC000173564954 251207532 /nfs/dbraw/zinc/20/75/32/251207532.db2.gz LHSFYXHUMWUXQB-LSDHHAIUSA-N 0 0 362.474 2.693 10 0 FFAERN Cc1cnn([C@H]2CCCN(C(=O)c3ccc(-n4cncn4)c(C)c3)C2)c1 ZINC000173572909 251209899 /nfs/dbraw/zinc/20/98/99/251209899.db2.gz JNIDPRCGQFICRB-KRWDZBQOSA-N 0 0 350.426 2.558 10 0 FFAERN O=C(/C=C/c1ccc2c(c1)CCO2)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000175566758 251231631 /nfs/dbraw/zinc/23/16/31/251231631.db2.gz KGRAUSIAOXQJFB-VQHVLOKHSA-N 0 0 372.428 2.936 10 0 FFAERN CCc1nccn1[C@H]1CCCN(C(=O)c2cc(C)nc3c2cnn3C)C1 ZINC000175586213 251232754 /nfs/dbraw/zinc/23/27/54/251232754.db2.gz NBQYALWPZSMDDE-AWEZNQCLSA-N 0 0 352.442 2.513 10 0 FFAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc3cnn(C(C)C)c3c2)CC1 ZINC000181189821 251255581 /nfs/dbraw/zinc/25/55/81/251255581.db2.gz MZNLJDXRCBBMEM-QGZVFWFLSA-N 0 0 359.474 2.538 10 0 FFAERN C[C@H](Oc1cccc2ccccc21)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000192557571 251288247 /nfs/dbraw/zinc/28/82/47/251288247.db2.gz TWFBDUOKBQHHFE-WMZOPIPTSA-N 0 0 365.433 2.731 10 0 FFAERN Cc1c(Br)ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)c1F ZINC000192585908 251291375 /nfs/dbraw/zinc/29/13/75/251291375.db2.gz KFOWPBSUKAMDGI-SKDRFNHKSA-N 0 0 373.222 2.519 10 0 FFAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc(C)[nH]n3)CC2)CCO1 ZINC000186827841 251271930 /nfs/dbraw/zinc/27/19/30/251271930.db2.gz AHADCIKOPCHWMT-IRXDYDNUSA-N 0 0 363.506 2.534 10 0 FFAERN COc1cnccc1[C@@H](C)NC(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000186838575 251272764 /nfs/dbraw/zinc/27/27/64/251272764.db2.gz QLCBXTDBEYEJEU-DOMZBBRYSA-N 0 0 354.410 2.576 10 0 FFAERN CN(C)c1ncccc1N(C)S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192619469 251296030 /nfs/dbraw/zinc/29/60/30/251296030.db2.gz AWJYRFPXJFUBCE-UHFFFAOYSA-N 0 0 361.467 2.686 10 0 FFAERN C[C@@H]1CN(C(=O)[C@H]2CCCCO2)c2ccccc2N1C(=O)[C@H]1CCCCO1 ZINC000252734435 251314134 /nfs/dbraw/zinc/31/41/34/251314134.db2.gz MLCTZPZMTZNJLG-ATZDWAIDSA-N 0 0 372.465 2.893 10 0 FFAERN Cc1nnc([C@@H]2CN(C(=O)[C@H](C)Oc3cccc4ccccc43)CCO2)[nH]1 ZINC000192610900 251296385 /nfs/dbraw/zinc/29/63/85/251296385.db2.gz KRVDOPNJPRYXJB-UGSOOPFHSA-N 0 0 366.421 2.634 10 0 FFAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)C1 ZINC000251619238 251299820 /nfs/dbraw/zinc/29/98/20/251299820.db2.gz GLDULRCHGNHJNT-GCSSGZNBSA-N 0 0 352.475 2.754 10 0 FFAERN Cc1cccc(-c2cncc(C(=O)N3CCN(C[C@H](C)O)C[C@H]3C)c2)c1 ZINC000251720290 251301684 /nfs/dbraw/zinc/30/16/84/251301684.db2.gz LOXYHDUGZSFGHA-SJORKVTESA-N 0 0 353.466 2.584 10 0 FFAERN Cc1ncc(CN2CCN(C(=O)c3noc4c3CCCCC4)CC2)s1 ZINC000275471359 256012377 /nfs/dbraw/zinc/01/23/77/256012377.db2.gz IMFNLHGJRXXDBI-UHFFFAOYSA-N 0 0 360.483 2.666 10 0 FFAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cnn(C3CCCCC3)c2C)C1 ZINC000277575335 256212924 /nfs/dbraw/zinc/21/29/24/256212924.db2.gz PLZZBYXLKIRMPG-NVXWUHKLSA-N 0 0 373.457 2.990 10 0 FFAERN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000285608244 256995275 /nfs/dbraw/zinc/99/52/75/256995275.db2.gz UWQDVAGIDFRNEU-WIRSXHRWSA-N 0 0 357.450 2.525 10 0 FFAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1CCc2n[nH]nc2C1 ZINC000285899507 257010275 /nfs/dbraw/zinc/01/02/75/257010275.db2.gz JQZGJOWYEICUPT-SUMWQHHRSA-N 0 0 352.438 2.862 10 0 FFAERN CCCCCS(=O)(=O)N1CCN(c2ccnc3ccsc32)CC1 ZINC000301394158 258047487 /nfs/dbraw/zinc/04/74/87/258047487.db2.gz KFOMXENTLSKIOH-UHFFFAOYSA-N 0 0 353.513 2.938 10 0 FFAERN 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COc1ccc(S(=O)(=O)N[C@H](CN(C)C)c2ccccc2)c(C)c1F ZINC000181620794 729253567 /nfs/dbraw/zinc/25/35/67/729253567.db2.gz BSLOEBCJWZWUEN-OAHLLOKOSA-N 0 0 366.458 2.724 10 0 FFAERN COc1cc(Br)ccc1CCCNC(=O)C[C@H](O)C(C)C ZINC000181765647 729257189 /nfs/dbraw/zinc/25/71/89/729257189.db2.gz DKJXGWVYIQMGBQ-AWEZNQCLSA-N 0 0 358.276 2.914 10 0 FFAERN CN(C[C@H](O)C(F)(F)F)C(=O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000182338911 729275475 /nfs/dbraw/zinc/27/54/75/729275475.db2.gz HUOOSSFESSHDSW-NHYWBVRUSA-N 0 0 368.396 2.548 10 0 FFAERN Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(C)o1 ZINC000183243730 729299300 /nfs/dbraw/zinc/29/93/00/729299300.db2.gz QZMZLXDPFMNPTB-KGLIPLIRSA-N 0 0 372.487 2.868 10 0 FFAERN Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(C)o1 ZINC000183243744 729299377 /nfs/dbraw/zinc/29/93/77/729299377.db2.gz QZMZLXDPFMNPTB-UONOGXRCSA-N 0 0 372.487 2.868 10 0 FFAERN C[C@@H](OC(=O)[C@H](c1ccccc1F)N1CCOCC1)C1CCOCC1 ZINC000183664356 729310761 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Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000187810543 729381510 /nfs/dbraw/zinc/38/15/10/729381510.db2.gz MVYBDTJVZXRNRK-NWDGAFQWSA-N 0 0 355.364 2.765 10 0 FFAERN CCOC1CC(CC(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)C1 ZINC000188060018 729383904 /nfs/dbraw/zinc/38/39/04/729383904.db2.gz JUWMMXSIKVICMZ-RDHHWEPZSA-N 0 0 366.527 2.831 10 0 FFAERN CCOC1CC(CC(=O)NC[C@H](c2ccc(C)s2)N2CCOCC2)C1 ZINC000188059477 729383913 /nfs/dbraw/zinc/38/39/13/729383913.db2.gz VGBOLDJERPKXMN-OFLPRAFFSA-N 0 0 366.527 2.751 10 0 FFAERN COC(=O)N[C@@H](C(=O)NCc1cc(Br)ccc1C)C(C)C ZINC000188230039 729385851 /nfs/dbraw/zinc/38/58/51/729385851.db2.gz TWOBHOUVOWKCOV-CYBMUJFWSA-N 0 0 357.248 2.754 10 0 FFAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000188730638 729391194 /nfs/dbraw/zinc/39/11/94/729391194.db2.gz GZXVMVOFXPJVEZ-XQQFMLRXSA-N 0 0 358.454 2.796 10 0 FFAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NNc1ccncc1Cl ZINC000188850191 729392472 /nfs/dbraw/zinc/39/24/72/729392472.db2.gz BLLHGKGIZVUUAP-JOYOIKCWSA-N 0 0 358.801 2.526 10 0 FFAERN COC(=O)[C@]1(C)CCCN1Cc1cc(Br)cc(OC)c1O ZINC000189987469 729404142 /nfs/dbraw/zinc/40/41/42/729404142.db2.gz OQWYMVWYLWGDMC-HNNXBMFYSA-N 0 0 358.232 2.691 10 0 FFAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000191937718 729420606 /nfs/dbraw/zinc/42/06/06/729420606.db2.gz QPRPCLWIQKEFMB-BXKDBHETSA-N 0 0 351.346 2.734 10 0 FFAERN C[C@@H](NS(=O)(=O)CCc1cccs1)c1ccc2c(c1)OCCO2 ZINC000192013727 729421048 /nfs/dbraw/zinc/42/10/48/729421048.db2.gz LBJQIDOTBHCMNE-GFCCVEGCSA-N 0 0 353.465 2.742 10 0 FFAERN C[C@H](NC(=O)N1CCS(=O)(=O)C[C@@H](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000192142320 729421791 /nfs/dbraw/zinc/42/17/91/729421791.db2.gz HENGDITUUIXUJR-ZZNOFCQSSA-N 0 0 368.543 2.667 10 0 FFAERN C[C@H]1[C@@H](NC(=O)c2cncc(Cl)n2)CCCN1C(=O)OC(C)(C)C ZINC000192385555 729424260 /nfs/dbraw/zinc/42/42/60/729424260.db2.gz CAOHHDWLVHKHTN-QWRGUYRKSA-N 0 0 354.838 2.648 10 0 FFAERN Cc1ccc([C@H](CNc2ncnc3onc(C)c32)N2CCOCC2)s1 ZINC000193394591 729477159 /nfs/dbraw/zinc/47/71/59/729477159.db2.gz MDFRHJYNHJZAEG-ZDUSSCGKSA-N 0 0 359.455 2.782 10 0 FFAERN CC(C)c1nnc(CSc2nnc(-c3ccc(Cl)cc3)n2N)n1C ZINC000194642123 729516911 /nfs/dbraw/zinc/51/69/11/729516911.db2.gz WBVANGKFTDVYQO-UHFFFAOYSA-N 0 0 363.878 2.857 10 0 FFAERN COCCN1CCN(C(=O)c2ccc(OC(F)(F)Cl)cc2)C[C@H]1C ZINC000194667471 729517702 /nfs/dbraw/zinc/51/77/02/729517702.db2.gz DKYXQISLWRFCBJ-GFCCVEGCSA-N 0 0 362.804 2.647 10 0 FFAERN O=C(NCCCOC1CCCC1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000194689330 729518004 /nfs/dbraw/zinc/51/80/04/729518004.db2.gz LLUXRCBKYVDWBW-MRXNPFEDSA-N 0 0 366.483 2.554 10 0 FFAERN CC(C)Cc1ccc([C@H](C)NC(=O)NCCS(=O)(=O)NC(C)C)cc1 ZINC000195188053 729531913 /nfs/dbraw/zinc/53/19/13/729531913.db2.gz CHKSMSBELKFDAR-HNNXBMFYSA-N 0 0 369.531 2.573 10 0 FFAERN CSCc1nn(CN2CCO[C@@H](c3nc(C)cs3)C2)c(=S)o1 ZINC000195294869 729534808 /nfs/dbraw/zinc/53/48/08/729534808.db2.gz BJTWDHRCBXRWGF-SNVBAGLBSA-N 0 0 358.514 2.865 10 0 FFAERN CCc1csc([C@@H]2CCCN(Cn3nnc4ccccc4c3=O)C2)n1 ZINC000195312139 729535710 /nfs/dbraw/zinc/53/57/10/729535710.db2.gz WROCOFRDEWAOJZ-CYBMUJFWSA-N 0 0 355.467 2.648 10 0 FFAERN CCc1csc([C@H]2CCCN(Cn3nnc4ccccc4c3=O)C2)n1 ZINC000195312147 729535755 /nfs/dbraw/zinc/53/57/55/729535755.db2.gz WROCOFRDEWAOJZ-ZDUSSCGKSA-N 0 0 355.467 2.648 10 0 FFAERN COc1c2c(sc1C(=O)N1CCC[C@H](C(=O)NC(C)C)C1)CCC2 ZINC000223472381 729546848 /nfs/dbraw/zinc/54/68/48/729546848.db2.gz YAIPLOFXLJLICV-LBPRGKRZSA-N 0 0 350.484 2.622 10 0 FFAERN COC(=O)C1CCN(C(=O)c2cc3oc(Br)cc3n2C)CC1 ZINC000223705772 729547189 /nfs/dbraw/zinc/54/71/89/729547189.db2.gz IXAHRBLXTRRTDV-UHFFFAOYSA-N 0 0 369.215 2.559 10 0 FFAERN CCn1nc(C)c2c1cnn2CCC(=O)NCCc1ccc(Cl)cc1 ZINC000223877844 729547659 /nfs/dbraw/zinc/54/76/59/729547659.db2.gz XPKKXSWGWQTNQQ-UHFFFAOYSA-N 0 0 359.861 2.964 10 0 FFAERN C[C@@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Br ZINC000245522721 729571228 /nfs/dbraw/zinc/57/12/28/729571228.db2.gz LZQBTFTXEPQFCW-FRRDWIJNSA-N 0 0 355.276 2.736 10 0 FFAERN COc1ccc(C[C@H](C)OC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)cc1 ZINC000245773903 729575582 /nfs/dbraw/zinc/57/55/82/729575582.db2.gz LDHNSSDSQLYCET-GDLCADMTSA-N 0 0 359.344 2.627 10 0 FFAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000246648737 729588984 /nfs/dbraw/zinc/58/89/84/729588984.db2.gz STODDGRDSFPELA-RRFJBIMHSA-N 0 0 360.841 2.702 10 0 FFAERN Cn1c(-c2ccncc2)nn(CN2CC[C@]3(O)CCCC[C@H]3C2)c1=S ZINC000247004445 729593243 /nfs/dbraw/zinc/59/32/43/729593243.db2.gz KWVQJPVROMWENU-MAUKXSAKSA-N 0 0 359.499 2.598 10 0 FFAERN CSC(C)(C)CNC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248327825 729602751 /nfs/dbraw/zinc/60/27/51/729602751.db2.gz CPRNBXUCVFHBQN-UONOGXRCSA-N 0 0 371.572 2.951 10 0 FFAERN C[C@H]1OCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000249635597 729620090 /nfs/dbraw/zinc/62/00/90/729620090.db2.gz RYXQOWYMZWOGHB-SDKNFDLMSA-N 0 0 352.475 2.848 10 0 FFAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000250747461 729623230 /nfs/dbraw/zinc/62/32/30/729623230.db2.gz REROYBIPOBHUKF-JYJNAYRXSA-N 0 0 354.491 2.907 10 0 FFAERN CC(C)CC[C@](C)(O)CNC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000253545085 729625887 /nfs/dbraw/zinc/62/58/87/729625887.db2.gz BPBBTWJQCQCKAA-CLCXKQKWSA-N 0 0 356.507 2.983 10 0 FFAERN O=C(NC/C=C\c1ccccc1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000255830585 729647016 /nfs/dbraw/zinc/64/70/16/729647016.db2.gz GJGGTQPIONMBGD-SKHCZCESSA-N 0 0 356.447 2.918 10 0 FFAERN O=S(=O)(/C=C/c1ccccc1Cl)NC[C@H]1CCn2ccnc2C1 ZINC000328619808 729794614 /nfs/dbraw/zinc/79/46/14/729794614.db2.gz GGFOLJLDSKCMSF-PPOCWRSBSA-N 0 0 351.859 2.689 10 0 FFAERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CCO[C@@]2(CCCOC2)C1 ZINC000332839054 729804629 /nfs/dbraw/zinc/80/46/29/729804629.db2.gz KZLRHOZOBAAFHB-LZWOXQAQSA-N 0 0 364.408 2.946 10 0 FFAERN C[C@@]12CN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333559399 729809329 /nfs/dbraw/zinc/80/93/29/729809329.db2.gz WATSBDGTNGYTIW-TUMZMVEJSA-N 0 0 374.915 2.557 10 0 FFAERN Brc1scnc1-c1nc([C@@H]2CN3CCCC[C@H]3CO2)no1 ZINC000350183602 729820581 /nfs/dbraw/zinc/82/05/81/729820581.db2.gz QGQPPJVWKZWXAC-IUCAKERBSA-N 0 0 371.260 2.881 10 0 FFAERN C[C@@H](N[C@@H]1CCNC1=O)c1ccc(Br)cc1Br ZINC000658055696 731844249 /nfs/dbraw/zinc/84/42/49/731844249.db2.gz UHVNXUBIEAJRQZ-RDDDGLTNSA-N 0 0 362.065 2.751 10 0 FFAERN CC(=O)N1C[C@@H](NC(=O)c2cc3ccccc3[nH]2)CC[C@@H]1C(F)(F)F ZINC000886036565 733742384 /nfs/dbraw/zinc/74/23/84/733742384.db2.gz VCRUERUBVKTRPA-SWLSCSKDSA-N 0 0 353.344 2.840 10 0 FFAERN CC(=O)N1C[C@@H](NC(=O)CCOc2ccccc2)CC[C@H]1C(F)(F)F ZINC000886044842 733742914 /nfs/dbraw/zinc/74/29/14/733742914.db2.gz AVVZZWIYPWCOHS-ZFWWWQNUSA-N 0 0 358.360 2.514 10 0 FFAERN Cc1nnc([C@H]2CCCN(C(=O)C(F)(F)C3(O)CCCCC3)[C@H]2C)o1 ZINC000886097144 733748323 /nfs/dbraw/zinc/74/83/23/733748323.db2.gz WRQYEBKIFBOFKV-AAEUAGOBSA-N 0 0 357.401 2.803 10 0 FFAERN Cc1oc(Br)cc1C(=O)N1CCC[C@H]1c1ccc(N)nn1 ZINC000886096453 733748433 /nfs/dbraw/zinc/74/84/33/733748433.db2.gz IAIRXYVCGISXMO-NSHDSACASA-N 0 0 351.204 2.700 10 0 FFAERN Cc1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(Cl)c1 ZINC000702783619 734357105 /nfs/dbraw/zinc/35/71/05/734357105.db2.gz GIQKBCGUDKKAPO-SWLSCSKDSA-N 0 0 368.861 2.606 10 0 FFAERN C[C@@H](O)[C@@H](C)NC(=O)c1scc(Br)c1Br ZINC000705503298 734360188 /nfs/dbraw/zinc/36/01/88/734360188.db2.gz LPTPWOCBPSVOTJ-RFZPGFLSSA-N 0 0 357.067 2.772 10 0 FFAERN CCn1c(C)nnc1COc1ccc(OC)c(I)c1 ZINC000712899908 734367823 /nfs/dbraw/zinc/36/78/23/734367823.db2.gz BWBREYXOBROXDC-UHFFFAOYSA-N 0 0 373.194 2.799 10 0 FFAERN CC(=O)[C@@H]1CCCN(C(=O)c2ccc(I)cc2)C1 ZINC000722038134 734383102 /nfs/dbraw/zinc/38/31/02/734383102.db2.gz GJVWSIANBQYZTP-GFCCVEGCSA-N 0 0 357.191 2.732 10 0 FFAERN C[C@@H](CC(=O)c1cccs1)NC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000901178768 735753860 /nfs/dbraw/zinc/75/38/60/735753860.db2.gz QQVFUQXWVYJYNS-WODVXLOZSA-N 0 0 351.493 2.784 10 0 FFAERN O=C(CCSc1ccnc2cc(Cl)ccc21)N1CCOC[C@@H]1CO ZINC000912423435 737302795 /nfs/dbraw/zinc/30/27/95/737302795.db2.gz YXUWBQPIGCFQIU-ZDUSSCGKSA-N 0 0 366.870 2.590 10 0 FFAERN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)/C=C\c1ccncn1 ZINC000588393132 845956762 /nfs/dbraw/zinc/95/67/62/845956762.db2.gz SABQROISPHYYAW-HYXAFXHYSA-N 0 0 365.220 2.894 10 0 FFAERN O=C(NC/C=C\c1ccccc1)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000588406501 845957548 /nfs/dbraw/zinc/95/75/48/845957548.db2.gz JCVNNIUKZZQGCG-REEAJDFCSA-N 0 0 354.431 2.520 10 0 FFAERN Cc1cccnc1/C=C\C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000588451757 845963400 /nfs/dbraw/zinc/96/34/00/845963400.db2.gz BOXIORJKSWLWEQ-HJWRWDBZSA-N 0 0 357.435 2.582 10 0 FFAERN Cc1cccnc1/C=C\C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000588453102 845963991 /nfs/dbraw/zinc/96/39/91/845963991.db2.gz PBFOHMGDCPWPES-HJWRWDBZSA-N 0 0 364.854 2.647 10 0 FFAERN COc1cc(N2CCN(C(=O)/C=C\c3ccccc3Cl)CC2)ncn1 ZINC000588463510 845964961 /nfs/dbraw/zinc/96/49/61/845964961.db2.gz KFBNPUOBSXNJSK-SREVYHEPSA-N 0 0 358.829 2.501 10 0 FFAERN O=C(/C=C\c1ccnc(Cl)c1)N1Cc2cnnn2Cc2ccccc21 ZINC000588562465 845980915 /nfs/dbraw/zinc/98/09/15/845980915.db2.gz VSXZHWYRNJWZOE-WAYWQWQTSA-N 0 0 351.797 2.935 10 0 FFAERN CC(C)(C)[C@@H](CO)NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000588581837 845982021 /nfs/dbraw/zinc/98/20/21/845982021.db2.gz LAQDNIPRZAHHHZ-LJTDUEICSA-N 0 0 362.289 2.746 10 0 FFAERN CC[C@@H](CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)C(=O)[O-] ZINC000717586871 955142690 /nfs/dbraw/zinc/14/26/90/955142690.db2.gz NDDMKVMBCQSEKH-SFHVURJKSA-N 0 0 361.486 2.651 10 0 FFAERN Cc1cnn(C[C@@H]2CN(C(=O)NCC(C)(C)c3ccccc3)CCO2)c1 ZINC000112106861 959361429 /nfs/dbraw/zinc/36/14/29/959361429.db2.gz XTBYSRKLSLCBQZ-SFHVURJKSA-N 0 0 356.470 2.580 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)C[C@@H]1CCCc3cc(OC)ccc31)CC2 ZINC000114865465 962399295 /nfs/dbraw/zinc/39/92/95/962399295.db2.gz OULHGYMJEIAHTC-JKSUJKDBSA-N 0 0 368.481 2.790 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CCCc3ccccc31)CC2 ZINC000114931905 962413955 /nfs/dbraw/zinc/41/39/55/962413955.db2.gz VRKVEGQYTWYGRI-JKSUJKDBSA-N 0 0 353.470 2.575 10 0 FFAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000588392185 963278038 /nfs/dbraw/zinc/27/80/38/963278038.db2.gz XGUGGOBUMYRGST-LLVKDONJSA-N 0 0 366.387 2.764 10 0 FFAERN CNC(=O)c1cncc(/C=C\C(=O)Nc2cn(-c3ccccc3)nc2C)c1 ZINC000588418407 964031801 /nfs/dbraw/zinc/03/18/01/964031801.db2.gz DLGBUUJZANAEHM-HJWRWDBZSA-N 0 0 361.405 2.587 10 0 FFAERN CCO[C@@H]1CCN(C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)C[C@@H]1C ZINC000333687924 964507835 /nfs/dbraw/zinc/50/78/35/964507835.db2.gz AOKLIZLSRCOMJP-RYQLBKOJSA-N 0 0 365.518 2.767 10 0 FFAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000588433858 964586604 /nfs/dbraw/zinc/58/66/04/964586604.db2.gz KAMAWUXIAYBBMO-PLNGDYQASA-N 0 0 373.409 2.858 10 0 FFAERN CNC(=O)c1cncc(/C=C\C(=O)N2CCC[C@@H]2c2ccc(COC)o2)c1 ZINC000588475886 965572225 /nfs/dbraw/zinc/57/22/25/965572225.db2.gz LXYIAHFLNGFRSC-CTEOGUNLSA-N 0 0 369.421 2.558 10 0 FFAERN COCCN(C)c1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cn1 ZINC000588578068 967569576 /nfs/dbraw/zinc/56/95/76/967569576.db2.gz QCNYLVZOFHUAJE-ATVHPVEESA-N 0 0 351.406 2.817 10 0 FFAERN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000588617779 968278633 /nfs/dbraw/zinc/27/86/33/968278633.db2.gz BBTAZQDJXBOFCV-KZXUOUFKSA-N 0 0 367.449 2.678 10 0 FFAERN COc1cccc(-c2nsc(NC(=O)[C@@H]3CCCN3C(=O)C3CC3)n2)c1 ZINC000102910890 970702351 /nfs/dbraw/zinc/70/23/51/970702351.db2.gz VSDSGVGMFARUDG-AWEZNQCLSA-N 0 0 372.450 2.553 10 0 FFAERN C[C@H]1OCC[C@@H]1NC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000332773117 977669857 /nfs/dbraw/zinc/66/98/57/977669857.db2.gz IYBUJVNGVOSVAS-CJNGLKHVSA-N 0 0 355.442 2.538 10 0 FFAERN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000332768136 977670034 /nfs/dbraw/zinc/67/00/34/977670034.db2.gz GMFOEIUEIUGICP-KVDVXYDOSA-N 0 0 359.470 2.615 10 0 FFAERN CC(C)c1nc([C@H]2COCCN2C(=O)N[C@H]2CCOc3ccccc32)no1 ZINC000332887075 977678039 /nfs/dbraw/zinc/67/80/39/977678039.db2.gz POCJNBRAZYHUSD-LSDHHAIUSA-N 0 0 372.425 2.800 10 0 FFAERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000332866257 977679395 /nfs/dbraw/zinc/67/93/95/977679395.db2.gz VEQWANGMFXNRNK-GDBMZVCRSA-N 0 0 369.469 2.766 10 0 FFAERN O=C([O-])c1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH]1 ZINC000715032203 977688918 /nfs/dbraw/zinc/68/89/18/977688918.db2.gz CJGGXXKJFATUFK-LPHOPBHVSA-N 0 0 367.449 2.840 10 0 FFAERN O=C([O-])c1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1F ZINC000716286418 977826589 /nfs/dbraw/zinc/82/65/89/977826589.db2.gz BVBVUWUAIRNHFP-HNNXBMFYSA-N 0 0 357.385 2.920 10 0 FFAERN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(C)(C)CC(=O)[O-] ZINC000720923613 978086010 /nfs/dbraw/zinc/08/60/10/978086010.db2.gz IYXQCZRWOPMOBW-WBVHZDCISA-N 0 0 361.486 2.555 10 0 FFAERN C[C@@H]1CN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1CC(=O)[O-] ZINC000722614457 978150206 /nfs/dbraw/zinc/15/02/06/978150206.db2.gz HBFFKCTZQOMEDC-VQIMIIECSA-N 0 0 373.497 2.651 10 0 FFAERN O=C1[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)N1CCc1cnc2c(Cl)cnn2c1 ZINC000333513871 978355266 /nfs/dbraw/zinc/35/52/66/978355266.db2.gz JNBDRYIGQPAGOQ-SNPRPXQTSA-N 0 0 373.844 2.521 10 0 FFAERN O=C([C@H]1C[C@]12CCOc1ccccc12)N1CCC(Cc2ncc[nH]2)CC1 ZINC000333525835 978358992 /nfs/dbraw/zinc/35/89/92/978358992.db2.gz XDMYGKYJEYYFOP-UTKZUKDTSA-N 0 0 351.450 2.931 10 0 FFAERN Cc1cccc(N2CCC(NC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)CC2)n1 ZINC000126488125 981191553 /nfs/dbraw/zinc/19/15/53/981191553.db2.gz GOMURLJISIVWJX-LAUBAEHRSA-N 0 0 372.513 2.695 10 0 FFAERN O=C(c1c(Cl)nc2ccccn21)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000129893845 981211887 /nfs/dbraw/zinc/21/18/87/981211887.db2.gz FUIDMVRONLTATM-GXTWGEPZSA-N 0 0 372.856 2.603 10 0 FFAERN CCOc1cccc(CNC(=O)C2CCN(C(=O)c3cnoc3C)CC2)c1 ZINC000130531150 981221855 /nfs/dbraw/zinc/22/18/55/981221855.db2.gz XNTBVGNIYJOKDA-UHFFFAOYSA-N 0 0 371.437 2.550 10 0 FFAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)CCCOc2ccccc2)C1 ZINC000134318112 981248827 /nfs/dbraw/zinc/24/88/27/981248827.db2.gz FDYQYBLVMPUDTC-VQIMIIECSA-N 0 0 357.454 2.551 10 0 FFAERN CCOCc1ccc(CNC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000134632737 981254031 /nfs/dbraw/zinc/25/40/31/981254031.db2.gz DRYXPUDOWYTPSR-LJQANCHMSA-N 0 0 355.438 2.981 10 0 FFAERN CCCOc1ncccc1CNC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000134756538 981255218 /nfs/dbraw/zinc/25/52/18/981255218.db2.gz WUHIOUHUJPDRHK-QGZVFWFLSA-N 0 0 356.426 2.628 10 0 FFAERN C[C@]1(C(=O)N2CCC(c3cc[nH]n3)CC2)CCCN1C(=O)c1ccccc1 ZINC000124969425 981438733 /nfs/dbraw/zinc/43/87/33/981438733.db2.gz UQQXQUOZPCKLKY-OAQYLSRUSA-N 0 0 366.465 2.811 10 0 FFAERN Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccc(C)c(C)c3)CC2)c1 ZINC000012616368 986855013 /nfs/dbraw/zinc/85/50/13/986855013.db2.gz NNWWGNDOUCNUOW-UHFFFAOYSA-N 0 0 365.477 2.690 10 0 FFAERN Cn1nnnc1SCCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129827590 987687836 /nfs/dbraw/zinc/68/78/36/987687836.db2.gz 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250380903 /nfs/dbraw/zinc/38/09/03/250380903.db2.gz RUBADKJTIKWKKC-ZFWWWQNUSA-N 0 0 372.494 2.727 10 0 FFAERN CC(C)(C)NC(=O)c1ccccc1NC(=O)N1CCC(n2cncn2)CC1 ZINC000118547442 250389176 /nfs/dbraw/zinc/38/91/76/250389176.db2.gz NRWSXPZXOHTQLI-UHFFFAOYSA-N 0 0 370.457 2.675 10 0 FFAERN CC(C)(C)n1nc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1C1CC1 ZINC000118671942 250394228 /nfs/dbraw/zinc/39/42/28/250394228.db2.gz BFQBVIRTKZUYOA-OAHLLOKOSA-N 0 0 368.485 2.704 10 0 FFAERN Cc1[nH]c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)c1C(=O)OC(C)C ZINC000119631284 250492355 /nfs/dbraw/zinc/49/23/55/250492355.db2.gz QKHPNSSIUDRLNK-QRWLVFNGSA-N 0 0 362.470 2.964 10 0 FFAERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000119428257 250473142 /nfs/dbraw/zinc/47/31/42/250473142.db2.gz MKNVFZJZBGAXAF-UHFFFAOYSA-N 0 0 364.808 2.557 10 0 FFAERN CC[C@H](OC1CCCCC1)C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000119869545 250519430 /nfs/dbraw/zinc/51/94/30/250519430.db2.gz RMGMVHIVMCZKRC-KRWDZBQOSA-N 0 0 364.490 2.540 10 0 FFAERN 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CC(C)C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1cccs1 ZINC000108443514 507894671 /nfs/dbraw/zinc/89/46/71/507894671.db2.gz SIUVKMJRTONPQV-HNNXBMFYSA-N 0 0 371.462 2.655 10 0 FFAERN COc1cccc(CNC(=O)Nc2nnc(Cc3ccccc3F)s2)n1 ZINC000108527103 507901448 /nfs/dbraw/zinc/90/14/48/507901448.db2.gz SFWOCFHUVFXYNS-UHFFFAOYSA-N 0 0 373.413 2.993 10 0 FFAERN COc1cccc(C2(CNC(=O)NCCCN3CCCC3=O)CCCC2)c1 ZINC000108536726 507901907 /nfs/dbraw/zinc/90/19/07/507901907.db2.gz MZPNZBQTWIKGIV-UHFFFAOYSA-N 0 0 373.497 2.819 10 0 FFAERN CCCO[C@@H]1CCCN(C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000108551452 507903568 /nfs/dbraw/zinc/90/35/68/507903568.db2.gz DMWRAQYBFNRLSR-QGZVFWFLSA-N 0 0 357.458 2.758 10 0 FFAERN Cc1c(Br)cccc1C[S@](=O)Cc1nnnn1C(C)C ZINC000090071340 507906592 /nfs/dbraw/zinc/90/65/92/507906592.db2.gz XPIZWHYCMYQZLU-HXUWFJFHSA-N 0 0 357.277 2.774 10 0 FFAERN CC(=O)N(CCc1ccccc1)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000090088053 507907519 /nfs/dbraw/zinc/90/75/19/507907519.db2.gz JGKLJNJHIWTAOF-LJQANCHMSA-N 0 0 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CCc1nnc([C@H]2CN(C(=O)c3nc(-c4ccco4)sc3C)CCO2)[nH]1 ZINC000173570135 251208526 /nfs/dbraw/zinc/20/85/26/251208526.db2.gz PNBDBTWKQZSFBK-GFCCVEGCSA-N 0 0 373.438 2.606 10 0 FFAERN CCc1nnc([C@H]2CN(C(=O)[C@@H](C)SCc3ccccc3)CCO2)[nH]1 ZINC000173577358 251209714 /nfs/dbraw/zinc/20/97/14/251209714.db2.gz TVUWOORSSFPFHB-UKRRQHHQSA-N 0 0 360.483 2.589 10 0 FFAERN CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000175579813 251233292 /nfs/dbraw/zinc/23/32/92/251233292.db2.gz SVVGPSKFALECIQ-IPMKNSEASA-N 0 0 373.497 2.710 10 0 FFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C[C@H](C)C(=O)c1cccc(F)c1)CC2 ZINC000175598910 251234932 /nfs/dbraw/zinc/23/49/32/251234932.db2.gz MCVWPQZFGPWGRU-BBRMVZONSA-N 0 0 372.444 2.881 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1cc3ccccc3o1)CC2 ZINC000175517985 251222668 /nfs/dbraw/zinc/22/26/68/251222668.db2.gz RBNJSCCORHEBQL-CQSZACIVSA-N 0 0 353.426 2.743 10 0 FFAERN CCO[C@@H]1C[C@H](N(C)C(=O)NCCCOC2CCOCC2)C12CCCC2 ZINC000175530756 251224550 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508473806 /nfs/dbraw/zinc/47/38/06/508473806.db2.gz VNLMTXVXHHSXKL-YLJYHZDGSA-N 0 0 364.449 2.700 10 0 FFAERN O=C(Nc1cccn(Cc2ccccc2)c1=O)N[C@@H]1CCCC[C@@H]1CO ZINC000152588072 508474905 /nfs/dbraw/zinc/47/49/05/508474905.db2.gz GDLRKXCGFVGNKF-IAGOWNOFSA-N 0 0 355.438 2.569 10 0 FFAERN Cc1nncn1-c1cccc(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1 ZINC000156775335 508475633 /nfs/dbraw/zinc/47/56/33/508475633.db2.gz KUDHDWWMDVMLMN-GOSISDBHSA-N 0 0 357.458 2.701 10 0 FFAERN CN(c1cccnn1)C1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000116193486 508485507 /nfs/dbraw/zinc/48/55/07/508485507.db2.gz HQUDZNIVMUXHOG-GJZGRUSLSA-N 0 0 372.419 2.986 10 0 FFAERN CC(=O)c1ccc(OCCCC(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000127686409 508485860 /nfs/dbraw/zinc/48/58/60/508485860.db2.gz KYKLGLLQFRKKNC-KRWDZBQOSA-N 0 0 370.453 2.579 10 0 FFAERN Cn1cc([C@H]2CCN(C(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)C2)cn1 ZINC000116229365 508488943 /nfs/dbraw/zinc/48/89/43/508488943.db2.gz KKXWDYYWQNDGRC-HOCLYGCPSA-N 0 0 362.474 2.526 10 0 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C[C@]1(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CCCO1 ZINC000153039049 508541656 /nfs/dbraw/zinc/54/16/56/508541656.db2.gz RPPKHYQPCNIUHM-OXJNMPFZSA-N 0 0 372.490 2.775 10 0 FFAERN Cc1cccc(N2CCC(NC(=O)c3ccc(-c4ncon4)cc3)CC2)n1 ZINC000116668567 508544616 /nfs/dbraw/zinc/54/46/16/508544616.db2.gz YNHUASHRENYVCF-UHFFFAOYSA-N 0 0 363.421 2.839 10 0 FFAERN CCc1noc2ncc(C(=O)NC3CCN(c4cccc(C)n4)CC3)cc12 ZINC000116670369 508544714 /nfs/dbraw/zinc/54/47/14/508544714.db2.gz FTNWCGZSPBJTSU-UHFFFAOYSA-N 0 0 365.437 2.887 10 0 FFAERN COc1ccccc1OCC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116670144 508545107 /nfs/dbraw/zinc/54/51/07/508545107.db2.gz BXGQPXNQTGFSFL-UHFFFAOYSA-N 0 0 355.438 2.563 10 0 FFAERN O=C(c1cnc2ccccc2c1O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000157283122 508546588 /nfs/dbraw/zinc/54/65/88/508546588.db2.gz KPNKZAXIOGSPCF-SUMWQHHRSA-N 0 0 352.390 2.849 10 0 FFAERN CCO[C@@H]1C[C@H](N(C)C(=O)NCCCOC[C@@H]2CCCO2)C12CCCC2 ZINC000153102331 508547856 /nfs/dbraw/zinc/54/78/56/508547856.db2.gz BIQOKQOSQZKYGX-OKZBNKHCSA-N 0 0 368.518 2.951 10 0 FFAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2nc3ccc(Cl)cn3n2)C1 ZINC000157291363 508548394 /nfs/dbraw/zinc/54/83/94/508548394.db2.gz GIAHEXOEPHHFPB-JTQLQIEISA-N 0 0 365.821 2.578 10 0 FFAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000153136564 508551064 /nfs/dbraw/zinc/55/10/64/508551064.db2.gz MGTAAGQASVDSAP-VIFPVBQESA-N 0 0 372.372 2.988 10 0 FFAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000153136652 508551246 /nfs/dbraw/zinc/55/12/46/508551246.db2.gz MGTAAGQASVDSAP-SECBINFHSA-N 0 0 372.372 2.988 10 0 FFAERN CC(C)C(=O)NCCCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128126555 508551519 /nfs/dbraw/zinc/55/15/19/508551519.db2.gz DRIPQJSTRXDXPW-AWEZNQCLSA-N 0 0 359.392 2.622 10 0 FFAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000134623735 508552631 /nfs/dbraw/zinc/55/26/31/508552631.db2.gz IQTXELJQGMALDB-LBPRGKRZSA-N 0 0 360.439 2.662 10 0 FFAERN O=C(COc1ccc(Br)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128141720 508553200 /nfs/dbraw/zinc/55/32/00/508553200.db2.gz GNBJSTLCZPFTKL-SUMWQHHRSA-N 0 0 368.271 2.982 10 0 FFAERN CNC(=O)COc1cccc(CC(=O)N[C@H]2CCCc3cc(F)ccc32)c1 ZINC000153165502 508554458 /nfs/dbraw/zinc/55/44/58/508554458.db2.gz LKMYCUWNOJVFOP-IBGZPJMESA-N 0 0 370.424 2.687 10 0 FFAERN O=C(NCCOc1ccc(Cl)cn1)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000134661289 508556406 /nfs/dbraw/zinc/55/64/06/508556406.db2.gz HKMGSJBYNHDHKU-CQSZACIVSA-N 0 0 374.828 2.539 10 0 FFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)COc3ccccc3Cl)C2)n1 ZINC000116773522 508559147 /nfs/dbraw/zinc/55/91/47/508559147.db2.gz YPKNPIJRZOCMBA-HNNXBMFYSA-N 0 0 362.861 2.866 10 0 FFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)n1 ZINC000116779018 508559727 /nfs/dbraw/zinc/55/97/27/508559727.db2.gz JXWJGQIUDUQHCW-HNNXBMFYSA-N 0 0 366.421 2.554 10 0 FFAERN CCOc1ccccc1CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000157425724 508564633 /nfs/dbraw/zinc/56/46/33/508564633.db2.gz FYEWGBVXADDWNT-OAHLLOKOSA-N 0 0 357.458 2.614 10 0 FFAERN Cc1cccc(OC[C@@H](C)NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000157432334 508565353 /nfs/dbraw/zinc/56/53/53/508565353.db2.gz ZMODHYLLFFHLSM-HZPDHXFCSA-N 0 0 371.485 2.791 10 0 FFAERN CCc1ccc([C@H](COC)NC(=O)N2CC[C@H](Oc3cccnc3)C2)o1 ZINC000134779877 508565824 /nfs/dbraw/zinc/56/58/24/508565824.db2.gz GAQHZEJLXDNRBV-IRXDYDNUSA-N 0 0 359.426 2.787 10 0 FFAERN C[C@H](NC(=O)N[C@H](C(N)=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000153279731 508566606 /nfs/dbraw/zinc/56/66/06/508566606.db2.gz ZXZSBRQSDFDGNY-VFZGTOFNSA-N 0 0 351.328 2.691 10 0 FFAERN CCc1ccc([C@@H]2CCCCN2C(=O)CN(C)c2ncnc3nc[nH]c32)o1 ZINC000128267536 508570801 /nfs/dbraw/zinc/57/08/01/508570801.db2.gz XAYOODMPIDUNMD-AWEZNQCLSA-N 0 0 368.441 2.698 10 0 FFAERN Cc1noc([C@H]2COCCN2C(=O)c2cc(Cl)ccc2OC(F)F)n1 ZINC000122735972 508579963 /nfs/dbraw/zinc/57/99/63/508579963.db2.gz YPVKWMPOOVEEOF-LLVKDONJSA-N 0 0 373.743 2.847 10 0 FFAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000128383855 508585566 /nfs/dbraw/zinc/58/55/66/508585566.db2.gz GDXIXSAGTQKJNL-ZDUSSCGKSA-N 0 0 367.327 2.645 10 0 FFAERN Cc1nc(NC(=O)N2CCC[C@H](n3cncn3)C2)ccc1Br ZINC000128384262 508585855 /nfs/dbraw/zinc/58/58/55/508585855.db2.gz HVUPLDGMXFIPSG-NSHDSACASA-N 0 0 365.235 2.613 10 0 FFAERN CC(C)CO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)C1 ZINC000128392215 508586149 /nfs/dbraw/zinc/58/61/49/508586149.db2.gz YPHOPLOMFRXURX-ZHALLVOQSA-N 0 0 362.445 2.619 10 0 FFAERN O=S(=O)(c1ccccc1OC(F)F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000122795570 508587850 /nfs/dbraw/zinc/58/78/50/508587850.db2.gz AOTJNPKRRWFFJQ-MLGOLLRUSA-N 0 0 361.410 2.604 10 0 FFAERN CCOCCN1CCN(C(=O)c2cc(F)cc(Br)c2)C[C@H]1C ZINC000117283394 508588325 /nfs/dbraw/zinc/58/83/25/508588325.db2.gz UPNBGISLCRDNFO-GFCCVEGCSA-N 0 0 373.266 2.771 10 0 FFAERN CCOCCN1CCN(C(=O)c2cc3ccc(F)cc3nc2C)C[C@@H]1C ZINC000117281019 508588725 /nfs/dbraw/zinc/58/87/25/508588725.db2.gz XTOGXFPVQREVBX-AWEZNQCLSA-N 0 0 359.445 2.865 10 0 FFAERN Cc1cncc(/C=C/C(=O)N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c1 ZINC000128406807 508589057 /nfs/dbraw/zinc/58/90/57/508589057.db2.gz OBOWWRVSHCPDTR-AATRIKPKSA-N 0 0 367.497 2.699 10 0 FFAERN Cc1cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)ccc1Br ZINC000122811143 508590481 /nfs/dbraw/zinc/59/04/81/508590481.db2.gz XUUNEWPKMUEFKC-CYBMUJFWSA-N 0 0 363.259 2.901 10 0 FFAERN CCCOc1ccc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)cc1 ZINC000128436416 508592158 /nfs/dbraw/zinc/59/21/58/508592158.db2.gz LKHRLMSEIQYGIY-UHFFFAOYSA-N 0 0 370.453 2.549 10 0 FFAERN CCc1ccsc1C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000117311599 508592451 /nfs/dbraw/zinc/59/24/51/508592451.db2.gz RJZXPGVSPYBCIM-KRWDZBQOSA-N 0 0 374.506 2.508 10 0 FFAERN CC[C@H](CC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1)C(C)C ZINC000117312292 508592646 /nfs/dbraw/zinc/59/26/46/508592646.db2.gz RMNUIUZRUQGLKZ-RTBURBONSA-N 0 0 362.514 2.643 10 0 FFAERN CCOc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1OCC ZINC000135347251 508594371 /nfs/dbraw/zinc/59/43/71/508594371.db2.gz IFDIWWNGMAVPDH-CYBMUJFWSA-N 0 0 358.442 2.903 10 0 FFAERN C[C@@H](NC(=O)Cc1cccc(Br)c1)c1nnc2n1CCCC2 ZINC000135368045 508595101 /nfs/dbraw/zinc/59/51/01/508595101.db2.gz VLEVVVQIEMDKNV-LLVKDONJSA-N 0 0 363.259 2.797 10 0 FFAERN O=C(N[C@H]1CCCc2cc(F)ccc21)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000157684303 508597099 /nfs/dbraw/zinc/59/70/99/508597099.db2.gz SKYOWMWDJWBTPT-RISCZKNCSA-N 0 0 358.335 2.730 10 0 FFAERN CCOCCN1CCN(C(=O)Nc2cccc(OC(F)F)c2)C[C@@H]1C ZINC000117443362 508597853 /nfs/dbraw/zinc/59/78/53/508597853.db2.gz UMAYWEAIQWNCHC-ZDUSSCGKSA-N 0 0 357.401 2.863 10 0 FFAERN COc1cc(C(=O)N[C@H](C)c2nnc3n2CCCC3)ccc1OC(C)C ZINC000135394112 508598943 /nfs/dbraw/zinc/59/89/43/508598943.db2.gz PJNKNUKGZATFEK-CYBMUJFWSA-N 0 0 358.442 2.901 10 0 FFAERN CCOCCN1CCN(C(=O)Nc2ccn(Cc3ccccc3)n2)C[C@@H]1C ZINC000117446314 508599980 /nfs/dbraw/zinc/59/99/80/508599980.db2.gz RSRRXKKDXXCPLA-KRWDZBQOSA-N 0 0 371.485 2.506 10 0 FFAERN CCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000135403827 508599959 /nfs/dbraw/zinc/59/99/59/508599959.db2.gz RREDTHQFMPGVRL-CQSZACIVSA-N 0 0 370.453 2.853 10 0 FFAERN O=C1NCCCN1C1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000135406874 508600391 /nfs/dbraw/zinc/60/03/91/508600391.db2.gz KKOUZHNEJRNDTB-UHFFFAOYSA-N 0 0 365.861 2.586 10 0 FFAERN CCc1nccn1[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000128486988 508600437 /nfs/dbraw/zinc/60/04/37/508600437.db2.gz GOJJPXLLAAURFA-INIZCTEOSA-N 0 0 351.447 2.752 10 0 FFAERN COCCN1CCN(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)C[C@H]1C ZINC000117478432 508600913 /nfs/dbraw/zinc/60/09/13/508600913.db2.gz RDYDJAFXNZTKHJ-SJORKVTESA-N 0 0 363.502 2.897 10 0 FFAERN C[C@H](NC(=O)CCCOc1ccc(F)cc1F)c1nnc2n1CCCC2 ZINC000135423873 508602127 /nfs/dbraw/zinc/60/21/27/508602127.db2.gz OLNLXULQCWKVJT-LBPRGKRZSA-N 0 0 364.396 2.929 10 0 FFAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc(Br)ccc1OC(C)C ZINC000128501911 508602196 /nfs/dbraw/zinc/60/21/96/508602196.db2.gz RXOQBARFGAJQAW-QWRGUYRKSA-N 0 0 356.216 2.984 10 0 FFAERN CS[C@H]1CCC[C@H](NC(=O)N2CCN(Cc3cnc(C)s3)CC2)C1 ZINC000117507725 508602544 /nfs/dbraw/zinc/60/25/44/508602544.db2.gz RSQPXSLYYABWPM-GJZGRUSLSA-N 0 0 368.572 2.953 10 0 FFAERN Cc1nc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)ccc1Br ZINC000128521794 508605836 /nfs/dbraw/zinc/60/58/36/508605836.db2.gz RKXPKRWFFPMPAQ-LLVKDONJSA-N 0 0 364.247 2.907 10 0 FFAERN Cc1nn(CC(=O)NC2CCN(c3ccc(C)cn3)CC2)c(C)c1Cl ZINC000157757874 508607501 /nfs/dbraw/zinc/60/75/01/508607501.db2.gz KAMCYDPTRIOQDD-UHFFFAOYSA-N 0 0 361.877 2.642 10 0 FFAERN CCc1nccn1[C@H]1CCCN(C(=O)c2cccc(-n3cccn3)n2)C1 ZINC000135463239 508607877 /nfs/dbraw/zinc/60/78/77/508607877.db2.gz VJXWROCOHLJDQB-HNNXBMFYSA-N 0 0 350.426 2.504 10 0 FFAERN C[C@@H](CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)N1CCOCC1 ZINC000122934967 508610466 /nfs/dbraw/zinc/61/04/66/508610466.db2.gz SGNKCUCKYWDTRX-JTQLQIEISA-N 0 0 350.768 2.809 10 0 FFAERN Cc1ccc(-c2cncc(C(=O)N3CCO[C@H](Cn4cccn4)C3)c2)cc1 ZINC000135488205 508612050 /nfs/dbraw/zinc/61/20/50/508612050.db2.gz JVKHZELCMIOFOI-FQEVSTJZSA-N 0 0 362.433 2.795 10 0 FFAERN COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1O)CO2 ZINC000117710132 508613545 /nfs/dbraw/zinc/61/35/45/508613545.db2.gz IHCHOVVAJBADAH-CQSZACIVSA-N 0 0 365.389 2.981 10 0 FFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc4cc(F)ccc4o3)CCO2)n1 ZINC000117798824 508618247 /nfs/dbraw/zinc/61/82/47/508618247.db2.gz FSEZXMILUJNLTL-INIZCTEOSA-N 0 0 357.385 2.926 10 0 FFAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000157831161 508618842 /nfs/dbraw/zinc/61/88/42/508618842.db2.gz LMZXYNGSWGGNIX-ROUUACIJSA-N 0 0 352.438 2.894 10 0 FFAERN Cc1ccc(CCNC(=O)N2CCC(c3ccnn3CCO)CC2)c(C)c1 ZINC000157834989 508620096 /nfs/dbraw/zinc/62/00/96/508620096.db2.gz XRGVYYUZWYKTCE-UHFFFAOYSA-N 0 0 370.497 2.624 10 0 FFAERN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000157854496 508622526 /nfs/dbraw/zinc/62/25/26/508622526.db2.gz AHFSBWFRMKYENB-SJKOYZFVSA-N 0 0 361.873 2.922 10 0 FFAERN CCn1nccc1/C=C/C(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000153678534 508623554 /nfs/dbraw/zinc/62/35/54/508623554.db2.gz QGGTUITZGZJOCV-LLYBFZRZSA-N 0 0 355.438 2.950 10 0 FFAERN Cc1cnn(CCNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000117927447 508624145 /nfs/dbraw/zinc/62/41/45/508624145.db2.gz OVOKJOMHDKJSNY-UHFFFAOYSA-N 0 0 367.780 2.842 10 0 FFAERN COCCN(Cc1ccc(F)cc1Cl)C(=O)NCCn1cc(C)cn1 ZINC000118081195 508630163 /nfs/dbraw/zinc/63/01/63/508630163.db2.gz MDRLUOXCVQHFCN-UHFFFAOYSA-N 0 0 368.840 2.842 10 0 FFAERN CC[C@@H](OC1CCCCC1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000157944609 508635785 /nfs/dbraw/zinc/63/57/85/508635785.db2.gz TZFIZQMCZXJMCR-CXAGYDPISA-N 0 0 368.499 2.639 10 0 FFAERN O=C(COc1ccc(F)cc1Cl)N1CC[C@H](Oc2cccnc2)C1 ZINC000135683924 508640749 /nfs/dbraw/zinc/64/07/49/508640749.db2.gz CCAQORKICGPQQW-AWEZNQCLSA-N 0 0 350.777 2.933 10 0 FFAERN O=C(c1cnc(-c2ccccn2)s1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135690092 508641193 /nfs/dbraw/zinc/64/11/93/508641193.db2.gz JLJBSVSFGZTELF-CQSZACIVSA-N 0 0 352.419 2.894 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NCc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000153763063 508644308 /nfs/dbraw/zinc/64/43/08/508644308.db2.gz QPPMIPSIADPAHU-MRXNPFEDSA-N 0 0 372.469 2.634 10 0 FFAERN O=C(NCCc1ccc(-n2cccn2)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000158040316 508648798 /nfs/dbraw/zinc/64/87/98/508648798.db2.gz ZOJNLTNVYOHCQU-GHTZIAJQSA-N 0 0 368.481 2.751 10 0 FFAERN O=C(c1cccc(OCC(F)(F)F)n1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123209635 508652725 /nfs/dbraw/zinc/65/27/25/508652725.db2.gz FVHBRKBUHXSYIZ-CYBMUJFWSA-N 0 0 367.327 2.711 10 0 FFAERN O=C(Nc1ccnn1Cc1ccc(F)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000158070529 508652783 /nfs/dbraw/zinc/65/27/83/508652783.db2.gz RKFHHUJILVFCQT-INIZCTEOSA-N 0 0 369.404 2.531 10 0 FFAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3nn(CC(C)C)cc3C(F)F)[C@@H]2C1 ZINC000135838970 508653068 /nfs/dbraw/zinc/65/30/68/508653068.db2.gz ZKNHNLYUWKBLBC-BPLDGKMQSA-N 0 0 371.428 2.885 10 0 FFAERN CC(C)[C@H]1OCCC[C@H]1CNC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000128891383 508656184 /nfs/dbraw/zinc/65/61/84/508656184.db2.gz IBCRDRUWZQEJIU-PKOBYXMFSA-N 0 0 362.518 2.835 10 0 FFAERN COc1cccc(Cl)c1CC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000153844495 508661069 /nfs/dbraw/zinc/66/10/69/508661069.db2.gz KYFSKFRRCOAXHK-GFCCVEGCSA-N 0 0 362.861 2.737 10 0 FFAERN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118673787 508663797 /nfs/dbraw/zinc/66/37/97/508663797.db2.gz HQYJIQCAETUVAF-ZBFHGGJFSA-N 0 0 374.872 2.991 10 0 FFAERN CCc1n[nH]c(=O)c(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1CC ZINC000136058232 508667648 /nfs/dbraw/zinc/66/76/48/508667648.db2.gz YFOIJDWYDCKCKY-MAUKXSAKSA-N 0 0 369.465 2.623 10 0 FFAERN O=C(CS(=O)(=O)C1CCCC1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128991200 508667670 /nfs/dbraw/zinc/66/76/70/508667670.db2.gz PYXLZWNDCIIWAX-AWEZNQCLSA-N 0 0 363.401 2.634 10 0 FFAERN O=C(Nc1cc(F)c(F)cc1Cl)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123316855 508668530 /nfs/dbraw/zinc/66/85/30/508668530.db2.gz XZVABNUCIVBEPQ-BMLIUANNSA-N 0 0 372.799 2.710 10 0 FFAERN O=C(c1ccncc1Br)N1CCO[C@H](c2nccs2)C1 ZINC000153882346 508668748 /nfs/dbraw/zinc/66/87/48/508668748.db2.gz QTHXFJCDRNJFFF-NSHDSACASA-N 0 0 354.229 2.514 10 0 FFAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000129045754 508675246 /nfs/dbraw/zinc/67/52/46/508675246.db2.gz WQGXNAMCMYIBEF-QMTHXVAHSA-N 0 0 366.343 2.588 10 0 FFAERN CC(C)OCc1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000123375369 508677112 /nfs/dbraw/zinc/67/71/12/508677112.db2.gz FDMHZZUKGWOTGZ-UTKZUKDTSA-N 0 0 374.481 2.704 10 0 FFAERN O=C(NCc1cc(F)cc(Br)c1)NC[C@H]1CCCC[C@H]1O ZINC000153924195 508678541 /nfs/dbraw/zinc/67/85/41/508678541.db2.gz INRNTPLLSJNBTE-BXUZGUMPSA-N 0 0 359.239 2.939 10 0 FFAERN Cc1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1OC(C)C ZINC000123399153 508680292 /nfs/dbraw/zinc/68/02/92/508680292.db2.gz YRZWROHYFCJUMP-IERDGZPVSA-N 0 0 374.481 2.874 10 0 FFAERN Cc1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc1OC(C)C ZINC000123398961 508680721 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AUKIRHGEOPHTLJ-LBPRGKRZSA-N 0 0 370.291 2.972 10 0 FFAERN COCCNC(=O)[C@H](CC(C)C)NC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000121701006 728636394 /nfs/dbraw/zinc/63/63/94/728636394.db2.gz PPMGMKDKWZKGCR-BBRMVZONSA-N 0 0 369.893 2.878 10 0 FFAERN CN(CCS(C)(=O)=O)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000123495718 728659291 /nfs/dbraw/zinc/65/92/91/728659291.db2.gz LDRKYOVOYCPMOL-HNNXBMFYSA-N 0 0 366.483 2.509 10 0 FFAERN CCCN(C(=O)c1cccs1)C1CCN(C(=O)[C@H](C)COC)CC1 ZINC000126378991 728700506 /nfs/dbraw/zinc/70/05/06/728700506.db2.gz OZXWRXPFUCADBC-CQSZACIVSA-N 0 0 352.500 2.874 10 0 FFAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)C[C@@H]1CCCCO1 ZINC000126387201 728700827 /nfs/dbraw/zinc/70/08/27/728700827.db2.gz ITFPHEABJJHRIC-HOTGVXAUSA-N 0 0 352.500 2.539 10 0 FFAERN O=C(O[C@H](c1ccc(Br)cc1)C1CCC1)[C@H]1CNC(=O)C1 ZINC000127764179 728707245 /nfs/dbraw/zinc/70/72/45/728707245.db2.gz FZRUCDGDLLWYIY-DOMZBBRYSA-N 0 0 352.228 2.970 10 0 FFAERN COCc1nc(C)c(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)s1 ZINC000128048977 728707925 /nfs/dbraw/zinc/70/79/25/728707925.db2.gz FLMABEGQVQHZJN-OLZOCXBDSA-N 0 0 350.440 2.919 10 0 FFAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000128843297 728709682 /nfs/dbraw/zinc/70/96/82/728709682.db2.gz ADKDBJLAXYFJQD-XIRDDKMYSA-N 0 0 366.889 2.714 10 0 FFAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000128843705 728709732 /nfs/dbraw/zinc/70/97/32/728709732.db2.gz ADKDBJLAXYFJQD-PVAVHDDUSA-N 0 0 366.889 2.714 10 0 FFAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000130283314 728716517 /nfs/dbraw/zinc/71/65/17/728716517.db2.gz HGAGOVNBHRZSDE-VXGBXAGGSA-N 0 0 364.243 2.884 10 0 FFAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3csc([C@@H]4CCCO4)n3)C2)no1 ZINC000130403457 728717534 /nfs/dbraw/zinc/71/75/34/728717534.db2.gz YNNQKMGQWFRVHT-JSGCOSHPSA-N 0 0 362.455 2.781 10 0 FFAERN Cc1cccc(C(=O)N2[C@@H](C)COC[C@@H]2C)c1I ZINC000130538923 728719215 /nfs/dbraw/zinc/71/92/15/728719215.db2.gz ZRRXCTQWPSEFOQ-QWRGUYRKSA-N 0 0 359.207 2.849 10 0 FFAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2COc3ccccc32)c1 ZINC000131822211 728723061 /nfs/dbraw/zinc/72/30/61/728723061.db2.gz PJLGNDYRYRPKRD-AWEZNQCLSA-N 0 0 351.811 2.955 10 0 FFAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)c1 ZINC000132200215 728723848 /nfs/dbraw/zinc/72/38/48/728723848.db2.gz YZQGMNCPEYUAFJ-AWEZNQCLSA-N 0 0 367.858 2.592 10 0 FFAERN Cc1csc([C@@H]2CCCN(CN3C(=O)C(=O)c4cccc(F)c43)C2)n1 ZINC000132525501 728724695 /nfs/dbraw/zinc/72/46/95/728724695.db2.gz AMWRXUODEOTXSJ-GFCCVEGCSA-N 0 0 359.426 2.957 10 0 FFAERN Cc1nc(NC(=O)[C@H]2CC[C@H](C)O2)sc1C1N=NC(=S)N1C1CC1 ZINC000133123214 728726323 /nfs/dbraw/zinc/72/63/23/728726323.db2.gz CMSVBBUXGUJXMG-OIBJUYFYSA-N 0 0 365.484 2.840 10 0 FFAERN CC(C)(C)n1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000133813718 728727903 /nfs/dbraw/zinc/72/79/03/728727903.db2.gz LTXABIIUIAJYCO-MNOVXSKESA-N 0 0 360.380 2.814 10 0 FFAERN Cc1nnc(COC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)n1C ZINC000134000546 728728359 /nfs/dbraw/zinc/72/83/59/728728359.db2.gz LVAZKDOIDUGHJO-STQMWFEESA-N 0 0 350.216 2.733 10 0 FFAERN Cc1c(Cl)cccc1OCC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000134857930 728733447 /nfs/dbraw/zinc/73/34/47/728733447.db2.gz WPGODGHQWPRZOQ-UHFFFAOYSA-N 0 0 360.845 2.920 10 0 FFAERN O=C(CCOc1ccc(Cl)cc1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135310544 728737480 /nfs/dbraw/zinc/73/74/80/728737480.db2.gz USMGJGYKCXOELL-HNNXBMFYSA-N 0 0 360.845 2.684 10 0 FFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1sccc1-n1cccc1 ZINC000135311077 728737482 /nfs/dbraw/zinc/73/74/82/728737482.db2.gz ILOIWJJUIUEXOF-CQSZACIVSA-N 0 0 353.451 2.728 10 0 FFAERN C[C@@H](NC(=O)CCc1cc(Cl)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000135341475 728737873 /nfs/dbraw/zinc/73/78/73/728737873.db2.gz RNKHFHAKGCBYRP-SNVBAGLBSA-N 0 0 372.899 2.859 10 0 FFAERN Cc1cc(C)cc(-c2nn(CN3CCS(=O)(=O)[C@H](C)C3)c(=S)o2)c1 ZINC000151567749 728745918 /nfs/dbraw/zinc/74/59/18/728745918.db2.gz GXMGFRIEOUXSKM-CYBMUJFWSA-N 0 0 367.496 2.566 10 0 FFAERN Cc1sc2nc(CCC(=O)O[C@@H](C)C3CCOCC3)[nH]c(=O)c2c1C ZINC000151624691 728746179 /nfs/dbraw/zinc/74/61/79/728746179.db2.gz BLJHOMXJULOIDK-NSHDSACASA-N 0 0 364.467 2.892 10 0 FFAERN COC(=O)[C@@H]1CCCN(Cn2ccn(-c3ccc(OC)cc3)c2=S)C1 ZINC000151651854 728746312 /nfs/dbraw/zinc/74/63/12/728746312.db2.gz QYAATKWUJOTCDA-CQSZACIVSA-N 0 0 361.467 2.859 10 0 FFAERN CCC(CC)(CCO)CNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000152124375 728748240 /nfs/dbraw/zinc/74/82/40/728748240.db2.gz JTPRILUABKZUKQ-OAHLLOKOSA-N 0 0 350.484 2.795 10 0 FFAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000152138684 728748433 /nfs/dbraw/zinc/74/84/33/728748433.db2.gz IDPZCTQOBDHIHU-OCCSQVGLSA-N 0 0 360.435 2.615 10 0 FFAERN CC(C)Cc1ccc([C@@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)cc1 ZINC000163048287 728952401 /nfs/dbraw/zinc/95/24/01/728952401.db2.gz VULDOEHYAYBDDX-GFCCVEGCSA-N 0 0 350.440 2.617 10 0 FFAERN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CO)c1 ZINC000170925732 728992389 /nfs/dbraw/zinc/99/23/89/728992389.db2.gz ZXSZXNXORQCTMI-CZUORRHYSA-N 0 0 350.459 2.735 10 0 FFAERN O[C@@H](CN1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000170935710 728992997 /nfs/dbraw/zinc/99/29/97/728992997.db2.gz RQEQDISQNVYITL-PMACEKPBSA-N 0 0 360.885 2.725 10 0 FFAERN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nccn1C(F)F ZINC000171036269 728995403 /nfs/dbraw/zinc/99/54/03/728995403.db2.gz ZMLVZICKBBYOPD-ZYHUDNBSSA-N 0 0 360.405 2.834 10 0 FFAERN Cn1cc([C@@H]2CCCN2Cn2nc(-c3ccncc3)n(C)c2=S)cn1 ZINC000171361734 729003205 /nfs/dbraw/zinc/00/32/05/729003205.db2.gz TYGJFFSQTKWZOX-HNNXBMFYSA-N 0 0 355.471 2.541 10 0 FFAERN C[C@H]1CN(C(=O)/C=C/c2ccc(I)o2)CCS1 ZINC000171579052 729007460 /nfs/dbraw/zinc/00/74/60/729007460.db2.gz KRECOSYLFDQSSR-SGRBOOSSSA-N 0 0 363.220 2.861 10 0 FFAERN Cc1onc2c1c(-c1ccccc1)nn(CN1CCS[C@@H](C)C1)c2=O ZINC000171604884 729008458 /nfs/dbraw/zinc/00/84/58/729008458.db2.gz UBPIBUSNHGQGGT-LBPRGKRZSA-N 0 0 356.451 2.755 10 0 FFAERN Cn1c(-c2ccccc2)cn(CN2CC[C@H](N3CCOCC3)C2)c1=S ZINC000172960259 729037238 /nfs/dbraw/zinc/03/72/38/729037238.db2.gz NLXAGQVOWANVSS-KRWDZBQOSA-N 0 0 358.511 2.587 10 0 FFAERN O=C(CNC1(c2noc(C3CC3)n2)CCCC1)Nc1cccnc1Cl ZINC000173711826 729052555 /nfs/dbraw/zinc/05/25/55/729052555.db2.gz IHZJPLXMGPDBJY-UHFFFAOYSA-N 0 0 361.833 2.993 10 0 FFAERN O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCC2(CCCC2)C1 ZINC000173742804 729053187 /nfs/dbraw/zinc/05/31/87/729053187.db2.gz VLELJJIGYDXGCI-KRWDZBQOSA-N 0 0 362.495 2.632 10 0 FFAERN C[C@H](NC(=O)N1CCC2(C1)OCCO2)c1cccc(Br)c1 ZINC000173792584 729053971 /nfs/dbraw/zinc/05/39/71/729053971.db2.gz WMZKXTNUIWLCNV-NSHDSACASA-N 0 0 355.232 2.669 10 0 FFAERN CC(C)c1nnc(CN2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)n1C ZINC000174285637 729067974 /nfs/dbraw/zinc/06/79/74/729067974.db2.gz QOQQWMWCDQQVHE-CQSZACIVSA-N 0 0 351.495 2.770 10 0 FFAERN CCCc1cc(C(=O)NC[C@H](c2ccc(C)s2)N2CCOCC2)[nH]n1 ZINC000176560330 729115119 /nfs/dbraw/zinc/11/51/19/729115119.db2.gz AMHXRDPRKFIJHT-MRXNPFEDSA-N 0 0 362.499 2.535 10 0 FFAERN CCc1nnc(CN2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C ZINC000177059608 729127203 /nfs/dbraw/zinc/12/72/03/729127203.db2.gz BBSPHVNFUANOIM-ZIAGYGMSSA-N 0 0 351.495 2.503 10 0 FFAERN CCc1nc(C2(NS(=O)(=O)c3cnc(Cl)c(C)c3)CCCC2)no1 ZINC000177608085 729140496 /nfs/dbraw/zinc/14/04/96/729140496.db2.gz MNWJYRAUBBNWNB-UHFFFAOYSA-N 0 0 370.862 2.737 10 0 FFAERN Cc1csc([C@H]2CCCN(Cn3nc(C(F)(F)F)ccc3=O)C2)n1 ZINC000178882459 729172792 /nfs/dbraw/zinc/17/27/92/729172792.db2.gz TWKMIMZGRLNJMJ-NSHDSACASA-N 0 0 358.389 2.864 10 0 FFAERN Cn1cc([C@@H]2[C@H](C(=O)OCCCCC(F)(F)F)CCC(=O)N2C)cn1 ZINC000179240447 729181130 /nfs/dbraw/zinc/18/11/30/729181130.db2.gz APBWYYXYPISHBG-TZMCWYRMSA-N 0 0 361.364 2.605 10 0 FFAERN CC1CCC2(CC1)OC[C@@H](CNS(=O)(=O)/C=C/c1ccccc1)O2 ZINC000180206624 729207111 /nfs/dbraw/zinc/20/71/11/729207111.db2.gz RHIFNOADGXVQDN-WVWPUZRMSA-N 0 0 351.468 2.899 10 0 FFAERN CCCN(C(=O)N[C@@H](C)c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000180725934 729222732 /nfs/dbraw/zinc/22/27/32/729222732.db2.gz TYGZUBROQNJCQJ-DZGCQCFKSA-N 0 0 356.463 2.804 10 0 FFAERN CCN(CC)S(=O)(=O)CC(=O)O[C@@H](C)c1nc2ccccc2s1 ZINC000181508464 729250072 /nfs/dbraw/zinc/25/00/72/729250072.db2.gz ZNMQNBGZMAKJSF-NSHDSACASA-N 0 0 356.469 2.572 10 0 FFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000181732637 729256425 /nfs/dbraw/zinc/25/64/25/729256425.db2.gz RQYPIYJCXMBSPH-QRTARXTBSA-N 0 0 351.878 2.769 10 0 FFAERN CCNC(=O)CNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000182340810 729275319 /nfs/dbraw/zinc/27/53/19/729275319.db2.gz BSAJSXIKALUORU-IUODEOHRSA-N 0 0 359.253 2.713 10 0 FFAERN COC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)C(C)C ZINC000182903483 729290745 /nfs/dbraw/zinc/29/07/45/729290745.db2.gz MXDACCCORYMIDO-IAQYHMDHSA-N 0 0 371.840 2.555 10 0 FFAERN C[C@H](NC(=O)C(=O)Nc1ccc(=O)n(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000182937140 729291647 /nfs/dbraw/zinc/29/16/47/729291647.db2.gz VGXSCQUWFMWONB-VIFPVBQESA-N 0 0 368.220 2.508 10 0 FFAERN C[C@H](OC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)C1CCOCC1 ZINC000183664106 729310363 /nfs/dbraw/zinc/31/03/63/729310363.db2.gz YYIXAVPOGAQDLO-KSSFIOAISA-N 0 0 351.418 2.557 10 0 FFAERN CNC(=O)[C@H](NCc1ncc(-c2ccccc2Br)o1)C(C)C ZINC000183657357 729310490 /nfs/dbraw/zinc/31/04/90/729310490.db2.gz TYGUVNDBYDGAME-OAHLLOKOSA-N 0 0 366.259 2.964 10 0 FFAERN CC[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000184709945 729331556 /nfs/dbraw/zinc/33/15/56/729331556.db2.gz PCFBBQRPPVXNMK-JKIFEVAISA-N 0 0 353.894 2.888 10 0 FFAERN Cc1cc(-n2c(C)cn(CN3CCC[C@H]3c3csc(C)n3)c2=O)no1 ZINC000186866625 729369813 /nfs/dbraw/zinc/36/98/13/729369813.db2.gz GCEZXPCGIXZEMP-HNNXBMFYSA-N 0 0 359.455 2.803 10 0 FFAERN Cc1ncsc1CCOC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000187580173 729378648 /nfs/dbraw/zinc/37/86/48/729378648.db2.gz MNWQKBAWRRAAQY-NWDGAFQWSA-N 0 0 358.435 2.885 10 0 FFAERN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCCN1C(=O)OC(C)(C)C ZINC000188298056 729386679 /nfs/dbraw/zinc/38/66/79/729386679.db2.gz CZUJSPOMTBJBGU-WDEREUQCSA-N 0 0 353.375 2.706 10 0 FFAERN Cc1nc(CC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C)cs1 ZINC000188320944 729387047 /nfs/dbraw/zinc/38/70/47/729387047.db2.gz KWNYCDPAAUYTRA-FZMZJTMJSA-N 0 0 353.488 2.898 10 0 FFAERN C[C@H]1[C@@H](NS(=O)(=O)Cc2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC000188381446 729387589 /nfs/dbraw/zinc/38/75/89/729387589.db2.gz QKPCSFXSIDOBMW-HOCLYGCPSA-N 0 0 368.499 2.894 10 0 FFAERN O=C(c1cc(Br)ncc1Cl)N1CCC[C@@H]1Cn1ccnc1 ZINC000188909442 729393437 /nfs/dbraw/zinc/39/34/37/729393437.db2.gz BWCPGXMLGMKVMU-SNVBAGLBSA-N 0 0 369.650 2.999 10 0 FFAERN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC(NC(=O)C2CCC2)C1 ZINC000189227458 729397554 /nfs/dbraw/zinc/39/75/54/729397554.db2.gz MTRQYNMFDCHSAK-OAHLLOKOSA-N 0 0 371.264 2.544 10 0 FFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)NCC(C)(C)CC)CC1 ZINC000190779019 729411021 /nfs/dbraw/zinc/41/10/21/729411021.db2.gz AUWPONWKOZUJRH-UHFFFAOYSA-N 0 0 369.941 2.899 10 0 FFAERN 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510376265 /nfs/dbraw/zinc/37/62/65/510376265.db2.gz PUADLASTDLUSER-QWHCGFSZSA-N 0 0 357.857 2.902 10 0 FFAERN Cc1nc(-c2cccs2)sc1C(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181366894 510376567 /nfs/dbraw/zinc/37/65/67/510376567.db2.gz NDMPVNSCCVNSNH-ZDUSSCGKSA-N 0 0 373.507 2.700 10 0 FFAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(Cc2nnc(C(C)C)n2C)C1 ZINC000246229253 510378182 /nfs/dbraw/zinc/37/81/82/510378182.db2.gz FSFYBDXTVTVQSV-DLBZAZTESA-N 0 0 356.470 2.717 10 0 FFAERN Cc1cc(CN2CCN(C(=O)N[C@@H]3[C@H]4CCc5ccccc5[C@@H]34)CC2)no1 ZINC000246234352 510379775 /nfs/dbraw/zinc/37/97/75/510379775.db2.gz CQKCKGJIBSCUKF-XUVXKRRUSA-N 0 0 366.465 2.539 10 0 FFAERN CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181374574 510380605 /nfs/dbraw/zinc/38/06/05/510380605.db2.gz MEAWDYJZNNRGLF-OAHLLOKOSA-N 0 0 366.425 2.757 10 0 FFAERN O=S(=O)(CCc1ccc2c(c1)CCO2)N[C@@H]1CCOc2ccccc21 ZINC000190862818 510380852 /nfs/dbraw/zinc/38/08/52/510380852.db2.gz ITHZTXQFKHCROL-QGZVFWFLSA-N 0 0 359.447 2.607 10 0 FFAERN Cn1cc([C@H]2CNCCN2C(=O)c2ccc(-c3ccccc3F)o2)cn1 ZINC000181378581 510381346 /nfs/dbraw/zinc/38/13/46/510381346.db2.gz SQSDRWBVMUJQRF-MRXNPFEDSA-N 0 0 354.385 2.606 10 0 FFAERN CCOCCC1(CNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000187674749 510381447 /nfs/dbraw/zinc/38/14/47/510381447.db2.gz YTWAKNSNPMVIKI-HOTGVXAUSA-N 0 0 352.500 2.672 10 0 FFAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000171808011 510382387 /nfs/dbraw/zinc/38/23/87/510382387.db2.gz FFVMCNCPKNXEHB-MRXNPFEDSA-N 0 0 363.410 2.873 10 0 FFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 ZINC000187678410 510383349 /nfs/dbraw/zinc/38/33/49/510383349.db2.gz QWQMJXDOIPEUGO-MRXNPFEDSA-N 0 0 372.343 2.832 10 0 FFAERN O=C(Cc1ccc(Br)s1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181384856 510384939 /nfs/dbraw/zinc/38/49/39/510384939.db2.gz UGECOPAKJDOOGB-SNVBAGLBSA-N 0 0 355.261 2.925 10 0 FFAERN O=C(Nc1nc(C2CC2)cs1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171817483 510387711 /nfs/dbraw/zinc/38/77/11/510387711.db2.gz XCLJAFIWEUABCP-QGZVFWFLSA-N 0 0 372.494 2.904 10 0 FFAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3ccccc3SC)CC2)n1 ZINC000171817877 510387765 /nfs/dbraw/zinc/38/77/65/510387765.db2.gz JZFXMLDZFGRQTA-CYBMUJFWSA-N 0 0 360.483 2.873 10 0 FFAERN Cc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174923469 510388840 /nfs/dbraw/zinc/38/88/40/510388840.db2.gz HQWMBGDUDFMEHU-CQSZACIVSA-N 0 0 357.376 2.952 10 0 FFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1csc(-c2cnccn2)n1 ZINC000171819372 510389729 /nfs/dbraw/zinc/38/97/29/510389729.db2.gz NTXGGTZZBVTYEW-OAHLLOKOSA-N 0 0 368.466 2.928 10 0 FFAERN C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)[C@@H](O)c1ccc(F)cc1 ZINC000246254081 510390173 /nfs/dbraw/zinc/39/01/73/510390173.db2.gz JNCJDGPCMJDWFE-XIWSCHCOSA-N 0 0 360.360 2.629 10 0 FFAERN C[C@@H](NC(=O)Cc1ccc(I)cc1)[C@@H]1CCCO1 ZINC000190879230 510390684 /nfs/dbraw/zinc/39/06/84/510390684.db2.gz PZDMREWFFPQNTA-MFKMUULPSA-N 0 0 359.207 2.517 10 0 FFAERN O=C(NCc1ccc(-n2cccn2)cc1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246257934 510392559 /nfs/dbraw/zinc/39/25/59/510392559.db2.gz YYMBMOIMUOZGNQ-KZNAEPCWSA-N 0 0 352.438 2.629 10 0 FFAERN CC(C)(C)OC(=O)NCCCC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187715354 510398358 /nfs/dbraw/zinc/39/83/58/510398358.db2.gz STPUHOSETAYTTK-GJZGRUSLSA-N 0 0 368.499 2.587 10 0 FFAERN CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000174955662 510405784 /nfs/dbraw/zinc/40/57/84/510405784.db2.gz QYJRJNRGIFOUCO-OAHLLOKOSA-N 0 0 370.457 2.521 10 0 FFAERN CCn1c(C)nnc1CN1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000178056910 510406278 /nfs/dbraw/zinc/40/62/78/510406278.db2.gz FNHKYBKCXZIPFQ-OAHLLOKOSA-N 0 0 359.474 2.700 10 0 FFAERN COc1ccc([C@@H]2C[C@@H](C)N(Cc3nnnn3CC(F)(F)F)C2)cc1 ZINC000190903355 510406507 /nfs/dbraw/zinc/40/65/07/510406507.db2.gz QRNJGPBRJOMURK-DGCLKSJQSA-N 0 0 355.364 2.622 10 0 FFAERN COc1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1O ZINC000171852687 510411626 /nfs/dbraw/zinc/41/16/26/510411626.db2.gz FACSDTOEYOZNHO-OXJNMPFZSA-N 0 0 368.433 2.627 10 0 FFAERN CC[C@H](C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1)c1ccc(OC)cc1 ZINC000181454699 510417841 /nfs/dbraw/zinc/41/78/41/510417841.db2.gz BUTPAAKJXFHXKE-WDSOQIARSA-N 0 0 371.481 2.895 10 0 FFAERN CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246309968 510419931 /nfs/dbraw/zinc/41/99/31/510419931.db2.gz JSLOEEQPHQXLTF-QXAKKESOSA-N 0 0 355.459 2.938 10 0 FFAERN CC[C@@H](C)NC(=O)CS(=O)(=O)c1nc(C)c(C)n1C1CCCCC1 ZINC000194558914 510422002 /nfs/dbraw/zinc/42/20/02/510422002.db2.gz UUGPUFJITDLALM-GFCCVEGCSA-N 0 0 355.504 2.694 10 0 FFAERN CCC[C@H]1CCc2nc(NC(=O)NC[C@@H]3CN(C)CCO3)sc2C1 ZINC000194557540 510422701 /nfs/dbraw/zinc/42/27/01/510422701.db2.gz GCYRSHLXNLBWBL-QWHCGFSZSA-N 0 0 352.504 2.500 10 0 FFAERN CC[C@@H]1CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C[C@@H](C)O1 ZINC000171878437 510424836 /nfs/dbraw/zinc/42/48/36/510424836.db2.gz JVGADKCSDNSQTA-UKRRQHHQSA-N 0 0 350.484 2.626 10 0 FFAERN CC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000181471557 510429439 /nfs/dbraw/zinc/42/94/39/510429439.db2.gz LEWQKHBSVWLXKO-HNNXBMFYSA-N 0 0 370.457 2.805 10 0 FFAERN Cc1ccc(C(N)=O)cc1NC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000194579650 510431699 /nfs/dbraw/zinc/43/16/99/510431699.db2.gz OELMZUJPNGPRFY-OAHLLOKOSA-N 0 0 352.438 2.839 10 0 FFAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCc1ccc(Cl)s1)CC2 ZINC000181491631 510436310 /nfs/dbraw/zinc/43/63/10/510436310.db2.gz RCQXWIJDMMHNLW-LLVKDONJSA-N 0 0 367.906 2.973 10 0 FFAERN O=C(NC[C@H]1CCc2ccccc21)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000171899502 510437109 /nfs/dbraw/zinc/43/71/09/510437109.db2.gz LOYYBRAXRFGEQF-CRAIPNDOSA-N 0 0 370.474 2.934 10 0 FFAERN C[C@H](CNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)c1nccs1 ZINC000187804120 510446606 /nfs/dbraw/zinc/44/66/06/510446606.db2.gz UNUUXIJIMRISLN-XBFCOCLRSA-N 0 0 351.497 2.726 10 0 FFAERN COc1cc(CNC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)ccc1C ZINC000181509745 510446920 /nfs/dbraw/zinc/44/69/20/510446920.db2.gz LYAWNFHNONNIPC-OAHLLOKOSA-N 0 0 357.458 2.533 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(C(=O)[C@H](C)Oc2cccc(C=O)c2)C1 ZINC000171929960 510456468 /nfs/dbraw/zinc/45/64/68/510456468.db2.gz FSPPWDKAKGIHKA-DOTOQJQBSA-N 0 0 355.438 2.889 10 0 FFAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000191002388 510460682 /nfs/dbraw/zinc/46/06/82/510460682.db2.gz YTYLJSUSAIGLGU-LSTHTHJFSA-N 0 0 368.477 2.551 10 0 FFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1ccccc1)CC2 ZINC000246391562 510462834 /nfs/dbraw/zinc/46/28/34/510462834.db2.gz AVZDCTDRCFUHEO-DJIMGWMZSA-N 0 0 371.485 2.528 10 0 FFAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[C@@H](O)c1ccccc1 ZINC000246397594 510465827 /nfs/dbraw/zinc/46/58/27/510465827.db2.gz LJUGTWCAAZJHQX-LSTHTHJFSA-N 0 0 353.466 2.532 10 0 FFAERN Cc1ccc(OCCCNC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000181544931 510466287 /nfs/dbraw/zinc/46/62/87/510466287.db2.gz NWEOXIPTUVSBJP-INIZCTEOSA-N 0 0 371.485 2.793 10 0 FFAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)c2oc(C)nc2C)CC1 ZINC000191016638 510467443 /nfs/dbraw/zinc/46/74/43/510467443.db2.gz SEQPYNJVSKFSBB-UHFFFAOYSA-N 0 0 365.474 2.560 10 0 FFAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H](C)CSC)CC1 ZINC000191016577 510467986 /nfs/dbraw/zinc/46/79/86/510467986.db2.gz AIOREWZFFBJDTD-CQSZACIVSA-N 0 0 358.548 2.640 10 0 FFAERN CCc1nnc(CSc2nnc(-c3ccc(OC)c(OC)c3)o2)n1C ZINC000194661505 510469301 /nfs/dbraw/zinc/46/93/01/510469301.db2.gz WCBXUHRPNXPYKF-UHFFFAOYSA-N 0 0 361.427 2.737 10 0 FFAERN Cn1cc([C@@H]2CCN(C(=O)NCc3ncc(-c4ccccc4)cn3)C2)cn1 ZINC000184696895 510469355 /nfs/dbraw/zinc/46/93/55/510469355.db2.gz WRXDCVFNDKOWKJ-MRXNPFEDSA-N 0 0 362.437 2.576 10 0 FFAERN Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000175071074 510469502 /nfs/dbraw/zinc/46/95/02/510469502.db2.gz DQZZAUHUMWGFHE-HNNXBMFYSA-N 0 0 351.410 2.794 10 0 FFAERN CCCC[C@@]1(c2ccccc2)NC(=O)N(Cc2nnc(CC)n2C)C1=O ZINC000194669935 510472741 /nfs/dbraw/zinc/47/27/41/510472741.db2.gz GFDVJSHQUPAXFG-IBGZPJMESA-N 0 0 355.442 2.515 10 0 FFAERN Cc1nc(Cl)ccc1NC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000194671804 510474336 /nfs/dbraw/zinc/47/43/36/510474336.db2.gz WKHPTBMNTSCVRJ-KRWDZBQOSA-N 0 0 374.872 2.927 10 0 FFAERN O=C(Nc1ccc2ncccc2c1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246413829 510476512 /nfs/dbraw/zinc/47/65/12/510476512.db2.gz ICOAQFUEUGCRNJ-KBAYOESNSA-N 0 0 365.433 2.637 10 0 FFAERN C[C@H](NC(=O)N[C@H]1COc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000194684382 510479225 /nfs/dbraw/zinc/47/92/25/510479225.db2.gz KHOGLFLOJTVHRU-LRDDRELGSA-N 0 0 360.435 2.584 10 0 FFAERN O=C(NC[C@@H](c1cccs1)N1CCOCC1)N[C@H]1COc2ccccc21 ZINC000194693600 510482609 /nfs/dbraw/zinc/48/26/09/510482609.db2.gz KNZYRSFCVFKMGR-HOTGVXAUSA-N 0 0 373.478 2.554 10 0 FFAERN COc1ccc(CCNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1 ZINC000171984231 510485767 /nfs/dbraw/zinc/48/57/67/510485767.db2.gz IVMYDUGJEKGEBU-FPOVZHCZSA-N 0 0 366.461 2.964 10 0 FFAERN CN1C(=O)CC[C@@H](C(=O)NCCSC(F)(F)F)[C@@H]1c1ccccc1 ZINC000171992288 510488682 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Cc1ccc(I)cc1NC(=O)N[C@@H]1CCO[C@@H]1C ZINC000408339087 513047272 /nfs/dbraw/zinc/04/72/72/513047272.db2.gz BCAYFXXKTCPSJK-MWLCHTKSSA-N 0 0 360.195 2.899 10 0 FFAERN O=C(c1cc2c(cc1O)CCCC2)N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408409269 513061568 /nfs/dbraw/zinc/06/15/68/513061568.db2.gz WCBSOYNXIGLYRG-QRQLOZEOSA-N 0 0 359.466 2.663 10 0 FFAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000408427401 513065511 /nfs/dbraw/zinc/06/55/11/513065511.db2.gz OKBZLTICOHDUMF-GUYCJALGSA-N 0 0 354.454 2.724 10 0 FFAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC000408446171 513068495 /nfs/dbraw/zinc/06/84/95/513068495.db2.gz HVEJUBXPYADIRH-INMHGKMJSA-N 0 0 371.547 2.552 10 0 FFAERN CN(C(=O)OC(C)(C)C)C1CN([C@@H](C(=[NH2+])NO)c2ccc(Cl)cc2)C1 ZINC000409442669 513103407 /nfs/dbraw/zinc/10/34/07/513103407.db2.gz YYGIFPMIRKYOBH-CQSZACIVSA-N 0 0 368.865 2.888 10 0 FFAERN COc1ccc(CC(=O)NC[C@@H]2Cc3ccccc3N(C)C2)cc1OC ZINC000368825569 513115117 /nfs/dbraw/zinc/11/51/17/513115117.db2.gz OHROOIPKYAMQFD-INIZCTEOSA-N 0 0 354.450 2.671 10 0 FFAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)Nc2cccc(COCC3CC3)c2)cn1 ZINC000425647025 513677180 /nfs/dbraw/zinc/67/71/80/513677180.db2.gz RWFQMPAQTDGFJH-MOPGFXCFSA-N 0 0 370.453 2.998 10 0 FFAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)c1nn(-c2ccccc2C)c2c1CCC2 ZINC000496048155 516230650 /nfs/dbraw/zinc/23/06/50/516230650.db2.gz SHXKYOYRSYERGT-JKSUJKDBSA-N 0 0 369.465 2.545 10 0 FFAERN C[C@@H]1CC(CNS(=O)(=O)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000546264498 517619780 /nfs/dbraw/zinc/61/97/80/517619780.db2.gz YDTTXNILNQCZFS-GHMZBOCLSA-N 0 0 362.289 2.931 10 0 FFAERN Nc1noc(-c2occc2Br)c1I ZINC000575508718 518227737 /nfs/dbraw/zinc/22/77/37/518227737.db2.gz SBKVPVJVRXUPEA-UHFFFAOYSA-N 0 0 354.929 2.884 10 0 FFAERN COc1ccc(C(=O)N2CC[C@@H](Cc3nc(-c4ccccc4)n[nH]3)C2)cn1 ZINC000575539919 518229728 /nfs/dbraw/zinc/22/97/28/518229728.db2.gz AGZHKMURVXELIM-AWEZNQCLSA-N 0 0 363.421 2.580 10 0 FFAERN CC(=O)N[C@H](C)c1ccc2nc(N3CC(Oc4cccc(O)c4)C3)oc2c1 ZINC000584591073 518412591 /nfs/dbraw/zinc/41/25/91/518412591.db2.gz PLXXXMFEGHCAGZ-GFCCVEGCSA-N 0 0 367.405 2.998 10 0 FFAERN CC(=O)NC1CCN(C(=O)[C@@H]2C[C@]23CCOc2ccc(Cl)cc23)CC1 ZINC000583615028 519341269 /nfs/dbraw/zinc/34/12/69/519341269.db2.gz DTABMNWOJILTGT-LPHOPBHVSA-N 0 0 362.857 2.507 10 0 FFAERN CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000616597354 520072641 /nfs/dbraw/zinc/07/26/41/520072641.db2.gz DIJDXJBWDPRXTI-MRXNPFEDSA-N 0 0 364.442 2.673 10 0 FFAERN O=S(=O)(c1ccccc1)N1CCOC[C@H]1c1cncc2ccccc21 ZINC000616601681 520075045 /nfs/dbraw/zinc/07/50/45/520075045.db2.gz FPEJBVYIIFILEN-IBGZPJMESA-N 0 0 354.431 2.997 10 0 FFAERN CC(C)(C)OC(=O)Nc1cccc([C@@H]2CN(S(C)(=O)=O)CCCO2)c1 ZINC000616650243 520084293 /nfs/dbraw/zinc/08/42/93/520084293.db2.gz BSTHASWRJVSADZ-HNNXBMFYSA-N 0 0 370.471 2.757 10 0 FFAERN O=S(=O)(c1ccccc1)N1CCCOC[C@@H]1c1ccc2nnccc2c1 ZINC000616649756 520084829 /nfs/dbraw/zinc/08/48/29/520084829.db2.gz XVVCDIBFFDOAJQ-LJQANCHMSA-N 0 0 369.446 2.782 10 0 FFAERN CC(C)(C)OC(=O)NCC[N@@H+]1CCOCC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616658354 520086852 /nfs/dbraw/zinc/08/68/52/520086852.db2.gz RUJZDYUTYCXAKY-MRXNPFEDSA-N 0 0 364.442 2.673 10 0 FFAERN O=S(=O)(c1ccccc1)N1CCO[C@@H](c2ccc3ccnnc3c2)CC1 ZINC000616665335 520086898 /nfs/dbraw/zinc/08/68/98/520086898.db2.gz SYKYRBCONSWNTI-LJQANCHMSA-N 0 0 369.446 2.782 10 0 FFAERN CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@H](c2ccccc2CCO)C1 ZINC000616681660 520088705 /nfs/dbraw/zinc/08/87/05/520088705.db2.gz RRLFFTRPRQZAIA-SFHVURJKSA-N 0 0 364.486 2.510 10 0 FFAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@@H]1CCO[C@H]1c1nccn1C ZINC000623151828 521801560 /nfs/dbraw/zinc/80/15/60/521801560.db2.gz MQMXGTIMVXDCQQ-VYIWNADRSA-N 0 0 363.502 2.844 10 0 FFAERN CNc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H]1Cn1cncn1 ZINC000622804142 523484154 /nfs/dbraw/zinc/48/41/54/523484154.db2.gz BMLKRGAGTPQPRR-LBPRGKRZSA-N 0 0 353.348 2.643 10 0 FFAERN CCOc1ccc(N2CN(CCOC)Cn3c(=O)c(CC)c(C)nc32)cc1 ZINC000072442432 535735313 /nfs/dbraw/zinc/73/53/13/535735313.db2.gz OMBLGYZGDCQBEV-UHFFFAOYSA-N 0 0 372.469 2.528 10 0 FFAERN CCc1c(C(=O)N2CCC(C(=O)NC3CC3)CC2)cnn1-c1ccccc1 ZINC000056006017 536027427 /nfs/dbraw/zinc/02/74/27/536027427.db2.gz JGWASRKEEZERSJ-UHFFFAOYSA-N 0 0 366.465 2.566 10 0 FFAERN CCc1cc(N2CCC(C(=O)[O-])CC2)nc(N2CCc3ccccc3C2)[nH+]1 ZINC000045947650 536142692 /nfs/dbraw/zinc/14/26/92/536142692.db2.gz ROGJHYSALHKJMJ-UHFFFAOYSA-N 0 0 366.465 2.903 10 0 FFAERN COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024543655 536814938 /nfs/dbraw/zinc/81/49/38/536814938.db2.gz LIBSGTSTFKVOHZ-CYBMUJFWSA-N 0 0 368.389 2.724 10 0 FFAERN Cc1sc(Br)cc1S(=O)(=O)NCC[C@@H]1CCCO1 ZINC000094871116 568150356 /nfs/dbraw/zinc/15/03/56/568150356.db2.gz CKLJUSJCIMWUQO-VIFPVBQESA-N 0 0 354.291 2.666 10 0 FFAERN CCCC[C@@H](Sc1n[nH]c(=O)n1CCC)C(=O)Nc1cc(C)on1 ZINC000010124545 568232915 /nfs/dbraw/zinc/23/29/15/568232915.db2.gz CTRFTOXDVUIATA-LLVKDONJSA-N 0 0 353.448 2.980 10 0 FFAERN C[N@H+](CC(=O)[O-])C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725240593 571233452 /nfs/dbraw/zinc/23/34/52/571233452.db2.gz PJSWHMUTYYYDFC-UHFFFAOYSA-N 0 0 366.417 2.636 10 0 FFAERN Cc1cnn([C@@H]2CCCN(Cn3nc(N(C)C)n(C(C)C)c3=S)C2)c1 ZINC000152918990 728768518 /nfs/dbraw/zinc/76/85/18/728768518.db2.gz FDUDIYJTFRVOKG-OAHLLOKOSA-N 0 0 363.535 2.861 10 0 FFAERN C[C@@H](OC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c1nc2ccccc2s1 ZINC000153899575 728790702 /nfs/dbraw/zinc/79/07/02/728790702.db2.gz JCEVCGMWLJDANJ-ZWNOBZJWSA-N 0 0 370.496 2.864 10 0 FFAERN COC[C@@H](C)C(=O)OC[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000155200525 728822838 /nfs/dbraw/zinc/82/28/38/728822838.db2.gz ZHYKWGOCKDVKHV-VXGBXAGGSA-N 0 0 370.243 2.628 10 0 FFAERN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1cccc(F)n1 ZINC000160625139 728923532 /nfs/dbraw/zinc/92/35/32/728923532.db2.gz QGTAGKFEHUPYHJ-HNNXBMFYSA-N 0 0 351.328 2.892 10 0 FFAERN COC(=O)N[C@@H](C(=O)N1CC[C@H](Oc2ccccc2Cl)C1)C(C)C ZINC000161185972 728929937 /nfs/dbraw/zinc/92/99/37/728929937.db2.gz KZPHVGLDNAJNJL-SWLSCSKDSA-N 0 0 354.834 2.700 10 0 FFAERN O=C(N[C@@H]1COc2ccccc21)c1cncc(I)c1 ZINC000161612741 728933948 /nfs/dbraw/zinc/93/39/48/728933948.db2.gz CDEXYJUYLMAAAF-GFCCVEGCSA-N 0 0 366.158 2.550 10 0 FFAERN Cc1nc(-c2cccc(CNC(=O)[C@@H]3CCc4n[nH]nc4C3)c2)cs1 ZINC000899001504 735432924 /nfs/dbraw/zinc/43/29/24/735432924.db2.gz FKWMKMLKYMBKEJ-CQSZACIVSA-N 0 0 353.451 2.658 10 0 FFAERN O=C(c1cccnc1SC(F)F)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899073183 735443443 /nfs/dbraw/zinc/44/34/43/735443443.db2.gz WVAAVULMZFCDGI-LLVKDONJSA-N 0 0 365.409 2.952 10 0 FFAERN CCC(CC)NC(=O)[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C ZINC000002627096 727774711 /nfs/dbraw/zinc/77/47/11/727774711.db2.gz VEJWFPDYZSXQKK-QGZVFWFLSA-N 0 0 350.459 2.763 10 0 FFAERN O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCCCCCC1 ZINC000023108807 727842565 /nfs/dbraw/zinc/84/25/65/727842565.db2.gz RWTCLRUFNHGNFR-KRWDZBQOSA-N 0 0 350.484 2.632 10 0 FFAERN CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)s2)c1 ZINC000041759034 727946828 /nfs/dbraw/zinc/94/68/28/727946828.db2.gz DFPOFTHBTUMJNB-VIFPVBQESA-N 0 0 365.842 2.577 10 0 FFAERN Cc1noc(C)c1CN(C)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000046408334 728018012 /nfs/dbraw/zinc/01/80/12/728018012.db2.gz CYGZLGDSIXJUNM-AWEZNQCLSA-N 0 0 351.447 2.897 10 0 FFAERN C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000048958069 728058643 /nfs/dbraw/zinc/05/86/43/728058643.db2.gz DYXYOMTWIPZRDX-NSHDSACASA-N 0 0 360.797 2.927 10 0 FFAERN CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000061853977 728128991 /nfs/dbraw/zinc/12/89/91/728128991.db2.gz LUMDZPRACQKUBX-NSHDSACASA-N 0 0 359.813 2.516 10 0 FFAERN Cc1c(/C=C2/N=C3SCN(c4ccc(F)cc4)CN3C2=O)cnn1C ZINC000096569367 728481121 /nfs/dbraw/zinc/48/11/21/728481121.db2.gz YAVRCJFDFMQVHD-VIZOYTHASA-N 0 0 357.414 2.575 10 0 FFAERN O=C(Oc1ccc(F)cc1Br)c1ccnc(-n2cncn2)c1 ZINC000098098018 728484405 /nfs/dbraw/zinc/48/44/05/728484405.db2.gz GQJDBOCIGKEMCF-UHFFFAOYSA-N 0 0 363.146 2.783 10 0 FFAERN COc1c(C)cc(CN(C)S(=O)(=O)c2c(C)nn(C)c2Cl)cc1C ZINC000101581253 728487028 /nfs/dbraw/zinc/48/70/28/728487028.db2.gz WNMSDMKXLZXXSI-UHFFFAOYSA-N 0 0 371.890 2.828 10 0 FFAERN Cc1nn(C)c(C)c1CCNC(=O)c1cc(Br)cnc1Cl ZINC000101639822 728487200 /nfs/dbraw/zinc/48/72/00/728487200.db2.gz ASHXAANLLLBEQB-UHFFFAOYSA-N 0 0 371.666 2.820 10 0 FFAERN CCOc1ccc(Br)cc1NC(=O)[C@@H]1CSCN1C(C)=O ZINC000102743004 728492166 /nfs/dbraw/zinc/49/21/66/728492166.db2.gz ARUNCZLBCSDCDT-LBPRGKRZSA-N 0 0 373.272 2.708 10 0 FFAERN Cc1cccc(CCCOC(=O)[C@H]2CSCN2C(=O)C2CCCC2)n1 ZINC000106593465 728511201 /nfs/dbraw/zinc/51/12/01/728511201.db2.gz QDZAFISENLJTAE-QGZVFWFLSA-N 0 0 362.495 2.958 10 0 FFAERN Cc1ccsc1-c1nn(CN2CCN(c3cccnn3)CC2)c(=S)o1 ZINC000106854379 728512314 /nfs/dbraw/zinc/51/23/14/728512314.db2.gz IXCPFNHLPMQWSB-UHFFFAOYSA-N 0 0 374.495 2.812 10 0 FFAERN COC(=O)N[C@@H](CC(C)C)C(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000109432580 728527801 /nfs/dbraw/zinc/52/78/01/728527801.db2.gz FNMANDOGFYNMJH-LBPRGKRZSA-N 0 0 352.822 2.936 10 0 FFAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2ccccc2C)CC1 ZINC000109666554 728528496 /nfs/dbraw/zinc/52/84/96/728528496.db2.gz MDVJPIJBIIANMT-UHFFFAOYSA-N 0 0 360.889 2.902 10 0 FFAERN CNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(C(F)(F)F)n2)c1 ZINC000110263615 728531216 /nfs/dbraw/zinc/53/12/16/728531216.db2.gz WWXRUBQAAVGXIH-AATRIKPKSA-N 0 0 350.300 2.507 10 0 FFAERN CC(=O)[C@@H]1CCCCN1S(=O)(=O)c1sccc1Br ZINC000111693103 728537947 /nfs/dbraw/zinc/53/79/47/728537947.db2.gz SCOZUFICULSLAZ-JTQLQIEISA-N 0 0 352.275 2.643 10 0 FFAERN Cc1nn(CN2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c(=S)s1 ZINC000113924874 728558504 /nfs/dbraw/zinc/55/85/04/728558504.db2.gz RZJGHHQGGAPRLF-UHFFFAOYSA-N 0 0 366.560 2.709 10 0 FFAERN CSc1ccc(OC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)cc1 ZINC000115204621 728564368 /nfs/dbraw/zinc/56/43/68/728564368.db2.gz UPOBMAXAFDYPEI-DOTOQJQBSA-N 0 0 359.451 2.657 10 0 FFAERN 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CCOc1ccc(C(=O)N2CCCN(c3ccc(C)nn3)CC2)cc1OC ZINC000109633129 507973459 /nfs/dbraw/zinc/97/34/59/507973459.db2.gz FNAFGKALCPDJSO-UHFFFAOYSA-N 0 0 370.453 2.545 10 0 FFAERN Cc1ccc(N2CCCN(C(=O)COc3ccc(Cl)cc3)CC2)nn1 ZINC000109634495 507973488 /nfs/dbraw/zinc/97/34/88/507973488.db2.gz QFSSLXWPBRUKMP-UHFFFAOYSA-N 0 0 360.845 2.556 10 0 FFAERN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC(Nc2cccnn2)CC1 ZINC000109637836 507973828 /nfs/dbraw/zinc/97/38/28/507973828.db2.gz RSQSTAANXCCRKI-UHFFFAOYSA-N 0 0 366.400 2.723 10 0 FFAERN CCOc1ccc(C(=O)N2CCC(Nc3cccnn3)CC2)cc1OC ZINC000109636813 507973857 /nfs/dbraw/zinc/97/38/57/507973857.db2.gz ITGBKAWWXZDZKA-UHFFFAOYSA-N 0 0 356.426 2.601 10 0 FFAERN CCOc1ccnc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000109653238 507975738 /nfs/dbraw/zinc/97/57/38/507975738.db2.gz CMQGGCVCLKCVGJ-UHFFFAOYSA-N 0 0 362.433 2.991 10 0 FFAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cn(-c2ccc(C)cc2)nn1 ZINC000109667956 507978020 /nfs/dbraw/zinc/97/80/20/507978020.db2.gz GFOLMNMPSDZDJP-SFHVURJKSA-N 0 0 364.453 2.903 10 0 FFAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CNC(=O)c1cc(C)cc(C)c1 ZINC000109667731 507978349 /nfs/dbraw/zinc/97/83/49/507978349.db2.gz ILFUIFJOOXNBQU-SFHVURJKSA-N 0 0 368.481 2.747 10 0 FFAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc(N2CCOC2=O)c1 ZINC000109667986 507978945 /nfs/dbraw/zinc/97/89/45/507978945.db2.gz COLCAJRKTRMJCS-KRWDZBQOSA-N 0 0 368.437 2.971 10 0 FFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C[C@@H](C)NC(=O)c1ccccc1 ZINC000109672506 507979294 /nfs/dbraw/zinc/97/92/94/507979294.db2.gz MIVAYMUQEKINRV-RDTXWAMCSA-N 0 0 368.481 2.909 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC000109675668 507979938 /nfs/dbraw/zinc/97/99/38/507979938.db2.gz SXUOUKRLDIIJGF-MRXNPFEDSA-N 0 0 350.426 2.504 10 0 FFAERN O=C(NCc1cccc(CO)c1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000074108855 507987999 /nfs/dbraw/zinc/98/79/99/507987999.db2.gz WNLPRAQLNCFZNZ-PMACEKPBSA-N 0 0 354.450 2.977 10 0 FFAERN CC(=O)c1ccccc1NC(=O)CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814938 507989166 /nfs/dbraw/zinc/98/91/66/507989166.db2.gz OUDDOUCBRYZUBT-LJQANCHMSA-N 0 0 365.433 2.565 10 0 FFAERN Cc1cccc(-c2noc(CN3CCCC[C@H]3CN3CCOCC3)n2)c1 ZINC000109819685 507990158 /nfs/dbraw/zinc/99/01/58/507990158.db2.gz WBQJOYRZVNGHKF-SFHVURJKSA-N 0 0 356.470 2.732 10 0 FFAERN CCc1cccc(CC)c1NC(=O)CN1CCCC[C@H]1CN1CCOCC1 ZINC000109818904 507990285 /nfs/dbraw/zinc/99/02/85/507990285.db2.gz AFYBKMLGMOZYKG-FQEVSTJZSA-N 0 0 373.541 2.937 10 0 FFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3)n2)C1 ZINC000109857951 507992850 /nfs/dbraw/zinc/99/28/50/507992850.db2.gz KZGGMNNIZMPPHO-OAHLLOKOSA-N 0 0 350.426 2.504 10 0 FFAERN Cc1ccc(S(=O)(=O)CCCN2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000091594715 507994368 /nfs/dbraw/zinc/99/43/68/507994368.db2.gz OVJVRTPEBPLBHL-SFHVURJKSA-N 0 0 360.479 2.707 10 0 FFAERN Cc1cnc(C(C)(C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)s1 ZINC000079752792 507998096 /nfs/dbraw/zinc/99/80/96/507998096.db2.gz LTYWJLGBSKSPAW-UHFFFAOYSA-N 0 0 372.494 2.750 10 0 FFAERN C[C@H](CCNC(=O)NCc1cccnc1-n1cncn1)c1ccccc1 ZINC000110070743 508004696 /nfs/dbraw/zinc/00/46/96/508004696.db2.gz FJOTWCAHDPNJLO-OAHLLOKOSA-N 0 0 350.426 2.655 10 0 FFAERN c1cc(-c2noc(CSc3nncn3CCc3ccccn3)n2)co1 ZINC000110145474 508010766 /nfs/dbraw/zinc/01/07/66/508010766.db2.gz AHGKQFCISQPKNA-UHFFFAOYSA-N 0 0 354.395 2.851 10 0 FFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(OC)c(OC(F)F)c2)C1 ZINC000110216864 508014219 /nfs/dbraw/zinc/01/42/19/508014219.db2.gz IWHZSHBWBXECSN-CYBMUJFWSA-N 0 0 370.396 2.818 10 0 FFAERN CCCC(=O)N[C@H]1CCCN(C(=O)COc2ccccc2C(F)(F)F)C1 ZINC000110221485 508014774 /nfs/dbraw/zinc/01/47/74/508014774.db2.gz GMXDLKYMHTZFIP-ZDUSSCGKSA-N 0 0 372.387 2.992 10 0 FFAERN CCCC(=O)N[C@H]1CCCN(C(=O)Cc2csc(-c3ccccn3)n2)C1 ZINC000110221539 508014784 /nfs/dbraw/zinc/01/47/84/508014784.db2.gz UDCCYFNQRDRDKU-AWEZNQCLSA-N 0 0 372.494 2.655 10 0 FFAERN CNC(=O)c1cncc(/C=C/C(=O)Nc2nnc(-c3ccsc3)s2)c1 ZINC000110240052 508015609 /nfs/dbraw/zinc/01/56/09/508015609.db2.gz LKHYSHBNFQHFJM-NSCUHMNNSA-N 0 0 371.447 2.673 10 0 FFAERN C[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1ccc(C(C)(C)C)cc1 ZINC000074410282 508019731 /nfs/dbraw/zinc/01/97/31/508019731.db2.gz JIRJSPAKQYKELA-AWEZNQCLSA-N 0 0 359.470 2.836 10 0 FFAERN O=C(NCCc1cccs1)C1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000110334244 508021290 /nfs/dbraw/zinc/02/12/90/508021290.db2.gz VOULLDJHBHCYEC-UHFFFAOYSA-N 0 0 356.495 2.991 10 0 FFAERN C[C@@H](CNC(=O)N(C)Cc1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000079981764 508022492 /nfs/dbraw/zinc/02/24/92/508022492.db2.gz NQXKDJSBLRUSDQ-ZDUSSCGKSA-N 0 0 359.392 2.568 10 0 FFAERN OC[C@@H]1CCCN1c1cc(NCCCCOCc2ccccc2)ncn1 ZINC000110392456 508026111 /nfs/dbraw/zinc/02/61/11/508026111.db2.gz LJMHGEDHAPUDID-SFHVURJKSA-N 0 0 356.470 2.847 10 0 FFAERN CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110451137 508028665 /nfs/dbraw/zinc/02/86/65/508028665.db2.gz CFUAVEBGAVKAPN-KBPBESRZSA-N 0 0 364.492 2.532 10 0 FFAERN O=C(c1noc2c1CCCC2)N1CC[C@]2(C1)CCCN(CC1CCC1)C2=O ZINC000092099923 508043183 /nfs/dbraw/zinc/04/31/83/508043183.db2.gz BXYHJSUACPGUNV-NRFANRHFSA-N 0 0 371.481 2.808 10 0 FFAERN CCn1cnnc1[C@H]1CCCN(C(=O)Cc2coc(-c3cccs3)n2)C1 ZINC000110757304 508045980 /nfs/dbraw/zinc/04/59/80/508045980.db2.gz OISVNERUZNKBAG-ZDUSSCGKSA-N 0 0 371.466 2.963 10 0 FFAERN O=C(COc1ccc(F)cc1Cl)N1CCO[C@@H](c2nccs2)C1 ZINC000110882368 508052977 /nfs/dbraw/zinc/05/29/77/508052977.db2.gz DLPRZQAQOMUGJP-CYBMUJFWSA-N 0 0 356.806 2.915 10 0 FFAERN O=C(c1cnn(Cc2ccccc2)c1)N1CCO[C@H](c2nccs2)C1 ZINC000110882470 508052988 /nfs/dbraw/zinc/05/29/88/508052988.db2.gz QAFCMAKKCLKLSO-INIZCTEOSA-N 0 0 354.435 2.602 10 0 FFAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000074765735 508052993 /nfs/dbraw/zinc/05/29/93/508052993.db2.gz DIQFDWWNDYYJPI-PBHICJAKSA-N 0 0 365.449 2.635 10 0 FFAERN CC(C)NC(=O)Nc1ccccc1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110882316 508053192 /nfs/dbraw/zinc/05/31/92/508053192.db2.gz RPNCXZHVCKRCFA-HNNXBMFYSA-N 0 0 374.466 2.887 10 0 FFAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCc3cc(F)ccc3C2)C1 ZINC000092245725 508053853 /nfs/dbraw/zinc/05/38/53/508053853.db2.gz QCCVWNFAPHXQQJ-QAPCUYQASA-N 0 0 361.461 2.977 10 0 FFAERN CCc1ccc(CCC(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)cc1 ZINC000110896633 508054485 /nfs/dbraw/zinc/05/44/85/508054485.db2.gz DWRSLTLFRXKKDJ-OAHLLOKOSA-N 0 0 356.470 2.778 10 0 FFAERN CCO[C@@H](C(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1)c1ccccc1 ZINC000110898487 508055087 /nfs/dbraw/zinc/05/50/87/508055087.db2.gz MSRFQFZOXWVIJN-RTBURBONSA-N 0 0 357.454 2.505 10 0 FFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C34CC5CC(CC(C5)C3)C4)CCO2)n1 ZINC000110906603 508055835 /nfs/dbraw/zinc/05/58/35/508055835.db2.gz JIMVIXKGDDRYNL-VJJCQHNBSA-N 0 0 357.498 2.944 10 0 FFAERN CC(=O)c1cccc(OCc2cc(C(=O)N[C@H](C)[C@H]3CCCO3)no2)c1 ZINC000092280443 508057010 /nfs/dbraw/zinc/05/70/10/508057010.db2.gz VLUIONCNUSPXFU-KZULUSFZSA-N 0 0 358.394 2.754 10 0 FFAERN COc1cccc([C@H]2C[C@H]2C(=O)N2CCN(Cc3cnc(C)s3)CC2)c1 ZINC000110939415 508057834 /nfs/dbraw/zinc/05/78/34/508057834.db2.gz LBPUAGBGCXZCHF-RTBURBONSA-N 0 0 371.506 2.908 10 0 FFAERN CC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@H](O)COCc1ccccc1 ZINC000080299940 508063764 /nfs/dbraw/zinc/06/37/64/508063764.db2.gz IWJDQKUSDJKLRT-YJBOKZPZSA-N 0 0 367.449 2.811 10 0 FFAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000080306893 508064511 /nfs/dbraw/zinc/06/45/11/508064511.db2.gz HDRDDMXIVHXXRC-OFQRWUPVSA-N 0 0 368.474 2.674 10 0 FFAERN C[C@@H](NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)c1cccc(-n2ccnc2)c1 ZINC000074876553 508066565 /nfs/dbraw/zinc/06/65/65/508066565.db2.gz GZTGESARLZZATC-KGLIPLIRSA-N 0 0 357.458 2.536 10 0 FFAERN O=C(c1ccc(Cl)c2cccnc12)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111083545 508069333 /nfs/dbraw/zinc/06/93/33/508069333.db2.gz PMTHLXMQZQJZBY-CYBMUJFWSA-N 0 0 356.813 2.626 10 0 FFAERN O=C(Cc1c(Cl)cccc1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111085931 508069349 /nfs/dbraw/zinc/06/93/49/508069349.db2.gz IHLJPXDXPLCXCZ-GFCCVEGCSA-N 0 0 354.237 2.660 10 0 FFAERN CC(C)(C)c1csc([C@H]2CN(CC(=O)NCc3cccnc3)CCO2)n1 ZINC000111211982 508078435 /nfs/dbraw/zinc/07/84/35/508078435.db2.gz RZGXCOYVUZYVBM-OAHLLOKOSA-N 0 0 374.510 2.525 10 0 FFAERN O=C1[C@H](N2CCC(Nc3cccnn3)CC2)CCN1c1ccccc1Cl ZINC000111227385 508079235 /nfs/dbraw/zinc/07/92/35/508079235.db2.gz UTITVVHJJUJARG-QGZVFWFLSA-N 0 0 371.872 2.812 10 0 FFAERN COc1ccc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)cc1OC ZINC000080572229 508084970 /nfs/dbraw/zinc/08/49/70/508084970.db2.gz IADWWEKUXWSNPC-LLVKDONJSA-N 0 0 373.453 2.884 10 0 FFAERN Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000111343727 508091949 /nfs/dbraw/zinc/09/19/49/508091949.db2.gz UPPSDRSSUAYHEW-GFCCVEGCSA-N 0 0 358.872 2.867 10 0 FFAERN CO[C@]1(C)C[C@H](N(C)C(=O)C2CCN(C(=O)c3ccccn3)CC2)C1(C)C ZINC000075295519 508094718 /nfs/dbraw/zinc/09/47/18/508094718.db2.gz HTXKSKWYFWQXAF-LAUBAEHRSA-N 0 0 373.497 2.596 10 0 FFAERN CCCC(=O)N[C@@H]1CCCN(Cc2c(OC)cc(OC)cc2OC)C1 ZINC000092708520 508096443 /nfs/dbraw/zinc/09/64/43/508096443.db2.gz 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ZINC000101576719 508248542 /nfs/dbraw/zinc/24/85/42/508248542.db2.gz LOUKLPAYILPXAJ-AWEZNQCLSA-N 0 0 351.472 2.885 10 0 FFAERN CCc1csc([C@@H]2CCCN(C(=O)CCNC(=O)c3ccco3)C2)n1 ZINC000113205733 508250515 /nfs/dbraw/zinc/25/05/15/508250515.db2.gz NRHNJVYOHDGAQI-CYBMUJFWSA-N 0 0 361.467 2.825 10 0 FFAERN Cc1noc(CCNC(=O)NCCOc2ccccc2-c2ccccc2)n1 ZINC000101618484 508251216 /nfs/dbraw/zinc/25/12/16/508251216.db2.gz NVFAYGAGCSZENP-UHFFFAOYSA-N 0 0 366.421 2.966 10 0 FFAERN CCc1c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000113226239 508251871 /nfs/dbraw/zinc/25/18/71/508251871.db2.gz KPZPUBRYPTVJQJ-WMLDXEAASA-N 0 0 356.445 2.883 10 0 FFAERN CCc1c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cnn1Cc1ccccc1 ZINC000113226088 508252429 /nfs/dbraw/zinc/25/24/29/508252429.db2.gz PSDHGODABWEKRJ-FUHWJXTLSA-N 0 0 352.482 2.803 10 0 FFAERN CCCC(=O)Nc1ccc(CNC(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000083701828 508252828 /nfs/dbraw/zinc/25/28/28/508252828.db2.gz OCFGKXYNJJQHCI-MRXNPFEDSA-N 0 0 370.457 2.659 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/nfs/dbraw/zinc/25/83/63/508258363.db2.gz IVWQVSAOOLSVHP-KRWDZBQOSA-N 0 0 371.437 2.944 10 0 FFAERN CCCCCc1ccc(NC(=O)C(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000083754959 508258386 /nfs/dbraw/zinc/25/83/86/508258386.db2.gz FWEUHOSHEHFODN-KRWDZBQOSA-N 0 0 369.469 2.909 10 0 FFAERN NS(=O)(=O)c1ccc(-c2csc(Cc3cn4ccccc4n3)n2)cc1 ZINC000101927745 508261242 /nfs/dbraw/zinc/26/12/42/508261242.db2.gz ICLKKDIARXMVTR-UHFFFAOYSA-N 0 0 370.459 2.696 10 0 FFAERN CC(=O)N(c1nc(CNC[C@@H]2CN(C)CCO2)cs1)c1ccc(C)cc1 ZINC000113336814 508261458 /nfs/dbraw/zinc/26/14/58/508261458.db2.gz HJQGMSPPKUOQEK-GOSISDBHSA-N 0 0 374.510 2.556 10 0 FFAERN COc1cccc(CNC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000101997687 508263902 /nfs/dbraw/zinc/26/39/02/508263902.db2.gz RWCNITOSVHRHBZ-AWEZNQCLSA-N 0 0 358.417 2.555 10 0 FFAERN CN1CCO[C@H](CNC(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000113389372 508264626 /nfs/dbraw/zinc/26/46/26/508264626.db2.gz ZWYKIWJAWMIJBE-CQSZACIVSA-N 0 0 365.524 2.852 10 0 FFAERN Cc1cccc(CNC(=O)C(=O)Nc2cccc(C(=O)c3ccccc3)c2)n1 ZINC000102086484 508267147 /nfs/dbraw/zinc/26/71/47/508267147.db2.gz ZNDPEWNAXKXECV-UHFFFAOYSA-N 0 0 373.412 2.876 10 0 FFAERN CCCCn1nccc1NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000102349316 508272672 /nfs/dbraw/zinc/27/26/72/508272672.db2.gz RIEYAVAYHVBDOJ-CYBMUJFWSA-N 0 0 362.380 2.953 10 0 FFAERN Cn1nccc1CNC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113594519 508274898 /nfs/dbraw/zinc/27/48/98/508274898.db2.gz RQSUHBSZQSQUKD-MRXNPFEDSA-N 0 0 364.453 2.899 10 0 FFAERN CC(C)OC[C@H](O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000102614206 508279030 /nfs/dbraw/zinc/27/90/30/508279030.db2.gz TTWWVIXABTZEOZ-NSHDSACASA-N 0 0 368.524 2.752 10 0 FFAERN NC(=O)[C@@H]1CCCCN1C(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000102667684 508281082 /nfs/dbraw/zinc/28/10/82/508281082.db2.gz HLSAKVGMYRBTNH-FQEVSTJZSA-N 0 0 365.477 2.555 10 0 FFAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000077156425 508281720 /nfs/dbraw/zinc/28/17/20/508281720.db2.gz UQZVUOMWQDWFFJ-PVAVHDDUSA-N 0 0 366.889 2.762 10 0 FFAERN O=C(CCCNC(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCC[C@@H]1O ZINC000077158942 508281755 /nfs/dbraw/zinc/28/17/55/508281755.db2.gz ABFSBGQWINTRPX-HOCLYGCPSA-N 0 0 352.862 2.517 10 0 FFAERN COc1ccc([C@@H](C)[NH2+]CC(=O)NCCOc2cccc(C)c2)cc1F ZINC000102699959 508282474 /nfs/dbraw/zinc/28/24/74/508282474.db2.gz AXPUSHVMFCCFNF-OAHLLOKOSA-N 0 0 360.429 2.989 10 0 FFAERN COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000102698840 508282491 /nfs/dbraw/zinc/28/24/91/508282491.db2.gz VCTLMPSSJJHZFN-LBPRGKRZSA-N 0 0 360.385 2.910 10 0 FFAERN CC(C)(C)n1cc(CN2CCN(C(=O)CCc3ccccc3O)CC2)cn1 ZINC000113859870 508283499 /nfs/dbraw/zinc/28/34/99/508283499.db2.gz DIOBXJWJGSCXKM-UHFFFAOYSA-N 0 0 370.497 2.621 10 0 FFAERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113890211 508284326 /nfs/dbraw/zinc/28/43/26/508284326.db2.gz GTOVQDRLIATNST-MLGOLLRUSA-N 0 0 360.845 2.935 10 0 FFAERN O=C(CCC(=O)N1CCCC[C@@H]1c1cn[nH]c1)N1CCc2sccc2C1 ZINC000113894396 508284513 /nfs/dbraw/zinc/28/45/13/508284513.db2.gz PUGAPLLIKVYMHG-MRXNPFEDSA-N 0 0 372.494 2.890 10 0 FFAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCCC[C@H]3c3cn[nH]c3)cn2)n1 ZINC000113893104 508284758 /nfs/dbraw/zinc/28/47/58/508284758.db2.gz CYHVPOTYOKZCJF-KRWDZBQOSA-N 0 0 350.426 2.975 10 0 FFAERN CC(C)(C)n1cc(CN2CCN(C(=O)c3ccc[nH]c3=S)CC2)cn1 ZINC000113921975 508285856 /nfs/dbraw/zinc/28/58/56/508285856.db2.gz VHRMKLYIMCFDMD-UHFFFAOYSA-N 0 0 359.499 2.654 10 0 FFAERN CC(C)COC1CCN(C(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)CC1 ZINC000102996656 508291942 /nfs/dbraw/zinc/29/19/42/508291942.db2.gz CDCDTLMLXMUZLI-OAQYLSRUSA-N 0 0 373.541 2.639 10 0 FFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(C)(C)c1ccc(C)cc1 ZINC000103038363 508293718 /nfs/dbraw/zinc/29/37/18/508293718.db2.gz HPCZMRFBCMQWMF-KRWDZBQOSA-N 0 0 366.527 2.593 10 0 FFAERN CC(C)[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000103055446 508294266 /nfs/dbraw/zinc/29/42/66/508294266.db2.gz BWQDMHAXYAULBF-IAGOWNOFSA-N 0 0 370.501 2.672 10 0 FFAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000084964340 508299097 /nfs/dbraw/zinc/29/90/97/508299097.db2.gz KAAZDEZUNJABSC-LLVKDONJSA-N 0 0 358.419 2.880 10 0 FFAERN CCOC(=O)[C@H](CNC(=O)Nc1cnc(C2CC2)nc1)Cc1ccccc1 ZINC000103239219 508303239 /nfs/dbraw/zinc/30/32/39/508303239.db2.gz MRIIAEKHRGHRMA-INIZCTEOSA-N 0 0 368.437 2.898 10 0 FFAERN CCOc1ccc(CCNC(=O)N[C@H]2CCCC[C@H]2O)cc1OCC ZINC000103297362 508305161 /nfs/dbraw/zinc/30/51/61/508305161.db2.gz VUQHHESFQUGPRV-JKSUJKDBSA-N 0 0 350.459 2.629 10 0 FFAERN CC(=O)N1CCc2cc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C(C)C)ccc21 ZINC000103327708 508308217 /nfs/dbraw/zinc/30/82/17/508308217.db2.gz AVIZPOSDCIPUPW-QZTJIDSGSA-N 0 0 371.481 2.865 10 0 FFAERN COC[C@H](C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000103406452 508310271 /nfs/dbraw/zinc/31/02/71/508310271.db2.gz NNQWRGYAFLRSGP-YOEHRIQHSA-N 0 0 368.905 2.891 10 0 FFAERN CC(=O)Nc1cccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)c1 ZINC000103725126 508320661 /nfs/dbraw/zinc/32/06/61/508320661.db2.gz WNTIVHSFRVTQCB-UHFFFAOYSA-N 0 0 356.773 2.526 10 0 FFAERN O=C(CN1CCCC[C@@H]1c1cn[nH]c1)NCCOc1cccc(Cl)c1 ZINC000114483380 508320995 /nfs/dbraw/zinc/32/09/95/508320995.db2.gz MNHIJSXQLMXKJZ-QGZVFWFLSA-N 0 0 362.861 2.785 10 0 FFAERN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483501 508321527 /nfs/dbraw/zinc/32/15/27/508321527.db2.gz RXLDWYGFUXVPEE-ZWKOTPCHSA-N 0 0 373.453 2.588 10 0 FFAERN C[C@@H](CNC(=O)c1ccc(-n2cnnn2)cc1Cl)N(C)c1ccccc1 ZINC000104258645 508331146 /nfs/dbraw/zinc/33/11/46/508331146.db2.gz PRJKIWZIRJSRNH-ZDUSSCGKSA-N 0 0 370.844 2.570 10 0 FFAERN CC(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)nc21 ZINC000114657900 508335067 /nfs/dbraw/zinc/33/50/67/508335067.db2.gz JFOCVNHYBAQDSN-UHFFFAOYSA-N 0 0 363.421 2.953 10 0 FFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)Oc1ccccc1F ZINC000087128255 508337958 /nfs/dbraw/zinc/33/79/58/508337958.db2.gz WKDCHZJOHWEDLI-JSGCOSHPSA-N 0 0 361.421 2.581 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1cc2ccccc2o1 ZINC000087250286 508344289 /nfs/dbraw/zinc/34/42/89/508344289.db2.gz OQTGIJAEOUIACB-OAHLLOKOSA-N 0 0 353.426 2.964 10 0 FFAERN Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n(C)n1 ZINC000077685365 508350653 /nfs/dbraw/zinc/35/06/53/508350653.db2.gz AFXFDMYJPZAZCP-VIFPVBQESA-N 0 0 355.225 2.851 10 0 FFAERN O=C(N[C@H]1CCN(c2ccccc2)C1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114830913 508351913 /nfs/dbraw/zinc/35/19/13/508351913.db2.gz AWGZWUMJPXIARB-ZBFHGGJFSA-N 0 0 370.478 2.838 10 0 FFAERN Cc1ccc2c(=O)c(C(=O)Nc3ccc4c(c3)CCC(=O)N4C)cnc-2[nH]1 ZINC000104918750 508352238 /nfs/dbraw/zinc/35/22/38/508352238.db2.gz QOMGNIJETRCRGP-UHFFFAOYSA-N 0 0 362.389 2.805 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(Cl)c3cccnc13)CC2 ZINC000114862989 508355024 /nfs/dbraw/zinc/35/50/24/508355024.db2.gz MEOQJTZUALBKEB-LLVKDONJSA-N 0 0 355.829 2.787 10 0 FFAERN CCCOc1ccc(C(=O)N[C@H]2CCc3nc(CC)nn3C2)cc1OCC ZINC000114864776 508355099 /nfs/dbraw/zinc/35/50/99/508355099.db2.gz FIPKLICGTMYQKW-HNNXBMFYSA-N 0 0 372.469 2.773 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1Cl)CC2 ZINC000114869755 508355846 /nfs/dbraw/zinc/35/58/46/508355846.db2.gz NMSQQSGLLREERW-CHWSQXEVSA-N 0 0 362.861 2.701 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)C[C@@H](C)Cc1ccccc1OC)CC2 ZINC000114871621 508355878 /nfs/dbraw/zinc/35/58/78/508355878.db2.gz HUPSDIDVTACVBT-HOCLYGCPSA-N 0 0 356.470 2.549 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1ccccc1C(F)(F)F)CC2 ZINC000114869325 508355949 /nfs/dbraw/zinc/35/59/49/508355949.db2.gz WCIOUQHXQNEJOK-GFCCVEGCSA-N 0 0 352.360 2.533 10 0 FFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000088198197 508356557 /nfs/dbraw/zinc/35/65/57/508356557.db2.gz RWAUMFNRQHMLHL-HNNXBMFYSA-N 0 0 367.457 2.739 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(OC(C)C)c(OC)c1 ZINC000088200038 508356854 /nfs/dbraw/zinc/35/68/54/508356854.db2.gz RMJSNTHVFBJQLE-CQSZACIVSA-N 0 0 358.442 2.901 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(OC(C)C)cc1F)CC2 ZINC000114905251 508357305 /nfs/dbraw/zinc/35/73/05/508357305.db2.gz VRIIMEWOTVJUQL-GFCCVEGCSA-N 0 0 361.421 2.903 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](c1ccccc1)C(C)C)CC2 ZINC000114934299 508360072 /nfs/dbraw/zinc/36/00/72/508360072.db2.gz UYLJZDCHFDETOL-IRXDYDNUSA-N 0 0 355.486 2.894 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1ccc3ccccc3c1)CC2 ZINC000114934573 508360587 /nfs/dbraw/zinc/36/05/87/508360587.db2.gz IAZFKTASKFAIDE-SFHVURJKSA-N 0 0 363.465 2.850 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)N(Cc1cccc(F)c1)C1CC1)CC2 ZINC000114976039 508364172 /nfs/dbraw/zinc/36/41/72/508364172.db2.gz LEORWKWKMGTAEE-OAHLLOKOSA-N 0 0 357.433 2.669 10 0 FFAERN COC(=O)[C@@H]1CN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)CCO1 ZINC000105254353 508366875 /nfs/dbraw/zinc/36/68/75/508366875.db2.gz UXLBAZNUJDGWFA-HOTGVXAUSA-N 0 0 366.845 2.765 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000088363927 508367282 /nfs/dbraw/zinc/36/72/82/508367282.db2.gz CYBHRALEHHKJQS-GFCCVEGCSA-N 0 0 351.357 2.784 10 0 FFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000088363312 508367285 /nfs/dbraw/zinc/36/72/85/508367285.db2.gz DOOWNTVHQKAGIK-HNNXBMFYSA-N 0 0 363.425 2.954 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000088363313 508367294 /nfs/dbraw/zinc/36/72/94/508367294.db2.gz DOOWNTVHQKAGIK-OAHLLOKOSA-N 0 0 363.425 2.954 10 0 FFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(OC)c(OC)cc1F ZINC000088381946 508367813 /nfs/dbraw/zinc/36/78/13/508367813.db2.gz KCOOVBJLXLBRCH-NSHDSACASA-N 0 0 363.393 2.653 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000088390475 508368287 /nfs/dbraw/zinc/36/82/87/508368287.db2.gz YQZUNKRSTYFSRK-OAHLLOKOSA-N 0 0 370.457 2.507 10 0 FFAERN CC(C)CC(=O)N[C@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1)C(C)C ZINC000115104149 508369309 /nfs/dbraw/zinc/36/93/09/508369309.db2.gz UCLDIMBLVWDPPY-XLIONFOSSA-N 0 0 359.514 2.959 10 0 FFAERN O=C(NC[C@H]1CCCC[C@H]1O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000088418611 508370113 /nfs/dbraw/zinc/37/01/13/508370113.db2.gz QPUBOZCAHPJZNX-CRAIPNDOSA-N 0 0 373.428 2.708 10 0 FFAERN COC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000077773978 508371376 /nfs/dbraw/zinc/37/13/76/508371376.db2.gz NJDLKKCNLLBBKL-LLVKDONJSA-N 0 0 360.797 2.943 10 0 FFAERN Cc1nn(-c2ccccc2)cc1CCCNC(=O)NC[C@H]1CCCC[C@H]1O ZINC000077777740 508371755 /nfs/dbraw/zinc/37/17/55/508371755.db2.gz MNBSONHJIBYGIC-YLJYHZDGSA-N 0 0 370.497 2.964 10 0 FFAERN CC[C@H](CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000115205403 508374980 /nfs/dbraw/zinc/37/49/80/508374980.db2.gz CAPJGURNLJDQHR-MOXGXCLJSA-N 0 0 368.481 2.640 10 0 FFAERN Cc1cc([C@@]2(C)NC(=O)N(Cc3nc(-c4ccoc4)no3)C2=O)c(C)o1 ZINC000105573645 508375871 /nfs/dbraw/zinc/37/58/71/508375871.db2.gz LRBUBASSGKNMSC-QGZVFWFLSA-N 0 0 356.338 2.507 10 0 FFAERN CCc1noc(-c2ccc(CCNC(=O)NC[C@@H]3CCCC[C@@H]3O)cc2)n1 ZINC000077808871 508377630 /nfs/dbraw/zinc/37/76/30/508377630.db2.gz WUKKMTCCTDOGBV-IRXDYDNUSA-N 0 0 372.469 2.692 10 0 FFAERN CC(C)NS(=O)(=O)c1ccc(NCc2nc(-c3ccoc3)no2)cc1 ZINC000105606545 508378121 /nfs/dbraw/zinc/37/81/21/508378121.db2.gz MQGMJHJPANUHRG-UHFFFAOYSA-N 0 0 362.411 2.628 10 0 FFAERN CCOc1ccc(CNC(=O)CCn2c3ccccc3n(C)c2=O)cc1F ZINC000105985009 508387191 /nfs/dbraw/zinc/38/71/91/508387191.db2.gz ZBCBVZACZBIDPC-UHFFFAOYSA-N 0 0 371.412 2.584 10 0 FFAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H](C)c2ccccc2F)CC1 ZINC000115389849 508390582 /nfs/dbraw/zinc/39/05/82/508390582.db2.gz HIZUIVFAGVMHPQ-AWEZNQCLSA-N 0 0 358.461 2.624 10 0 FFAERN Cc1ncc(CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)s1 ZINC000106090502 508392458 /nfs/dbraw/zinc/39/24/58/508392458.db2.gz FTJMMIXRHXRUOL-UHFFFAOYSA-N 0 0 353.495 2.955 10 0 FFAERN Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@@H]3CCCC[C@@H]3O)c2)oc1C ZINC000077936852 508393848 /nfs/dbraw/zinc/39/38/48/508393848.db2.gz KDLUQYHMDPCVKP-RDJZCZTQSA-N 0 0 371.437 2.564 10 0 FFAERN CCc1noc([C@@H](C)N2CCN(CC(=O)Nc3ccc(CC)cc3)CC2)n1 ZINC000106139775 508396195 /nfs/dbraw/zinc/39/61/95/508396195.db2.gz CICWZKPYQLUXBZ-OAHLLOKOSA-N 0 0 371.485 2.512 10 0 FFAERN CCOc1ccnc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)n1 ZINC000106153234 508396366 /nfs/dbraw/zinc/39/63/66/508396366.db2.gz KWBKXYXOTACICC-UHFFFAOYSA-N 0 0 365.437 2.853 10 0 FFAERN Cc1cnn([C@H]2CCCN(CC(=O)NCCc3ccc(Cl)cc3)C2)c1 ZINC000106224176 508398213 /nfs/dbraw/zinc/39/82/13/508398213.db2.gz ZORYTZGNUIRPIR-SFHVURJKSA-N 0 0 360.889 2.841 10 0 FFAERN CC[C@H](O)CN1CCN(C(=O)Cc2csc(-c3cccc(C)c3)n2)CC1 ZINC000106396443 508400296 /nfs/dbraw/zinc/40/02/96/508400296.db2.gz QWWPZUNTFMOFOE-SFHVURJKSA-N 0 0 373.522 2.576 10 0 FFAERN Cn1cc([C@H]2CCCN2C(=O)NCCOc2ccc(F)cc2F)cn1 ZINC000106563935 508402345 /nfs/dbraw/zinc/40/23/45/508402345.db2.gz YQKOCJZHNNACDZ-OAHLLOKOSA-N 0 0 350.369 2.624 10 0 FFAERN CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)c1 ZINC000106743327 508404191 /nfs/dbraw/zinc/40/41/91/508404191.db2.gz OIWOOXXOCKFURI-IRXDYDNUSA-N 0 0 374.462 2.654 10 0 FFAERN CN(CCc1nccs1)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156344079 508405558 /nfs/dbraw/zinc/40/55/58/508405558.db2.gz NFVCABIOJCKQLP-ZDUSSCGKSA-N 0 0 353.488 2.791 10 0 FFAERN COCc1ccccc1NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000133487767 508406314 /nfs/dbraw/zinc/40/63/14/508406314.db2.gz MISIEOAMTKJURX-INIZCTEOSA-N 0 0 355.442 2.756 10 0 FFAERN Cc1ccc(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCC3)c2cccnc12 ZINC000121743155 508408448 /nfs/dbraw/zinc/40/84/48/508408448.db2.gz OAEXKWDVZHIZGV-ZDUSSCGKSA-N 0 0 371.466 2.511 10 0 FFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)COc1ccc(F)cc1Cl)CC2 ZINC000133504934 508408682 /nfs/dbraw/zinc/40/86/82/508408682.db2.gz ZPNYRZHRYTXOAO-LBPRGKRZSA-N 0 0 366.824 2.704 10 0 FFAERN CCOc1cc(/C=C/C(=O)N2CCC[C@@H](Cn3cncn3)C2)ccc1OC ZINC000127188047 508411625 /nfs/dbraw/zinc/41/16/25/508411625.db2.gz KLBPYFMKNTWCHF-UGAXZCSASA-N 0 0 370.453 2.637 10 0 FFAERN CN(c1cc(=O)n2ccccc2n1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000156405913 508415349 /nfs/dbraw/zinc/41/53/49/508415349.db2.gz PZDRIFQDCVOBHT-OAHLLOKOSA-N 0 0 368.824 2.590 10 0 FFAERN COC(=O)C[C@@H](NC(=O)c1ccc(C(=O)NC2CC2)cc1)c1ccccc1 ZINC000156413869 508417321 /nfs/dbraw/zinc/41/73/21/508417321.db2.gz PRMUPZLZPKQSCO-GOSISDBHSA-N 0 0 366.417 2.613 10 0 FFAERN O=C(Nc1cccc(OCC(F)F)n1)N1CCC(Cn2cccn2)CC1 ZINC000133580894 508419758 /nfs/dbraw/zinc/41/97/58/508419758.db2.gz NDVNDHIOEXHDGE-UHFFFAOYSA-N 0 0 365.384 2.866 10 0 FFAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCc2ccc(C)cc2C)CC1 ZINC000115660961 508422875 /nfs/dbraw/zinc/42/28/75/508422875.db2.gz WHZIEERUVAGRTC-UHFFFAOYSA-N 0 0 369.513 2.681 10 0 FFAERN O=C(NCCCO[C@H]1CCOC1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000152318590 508423281 /nfs/dbraw/zinc/42/32/81/508423281.db2.gz YSDTWYQXRLRKLP-LSDHHAIUSA-N 0 0 360.376 2.655 10 0 FFAERN Cn1cc([C@]2(C)CN(C(=O)N[C@@H]3CCc4c3cccc4F)CCO2)cn1 ZINC000156459978 508423982 /nfs/dbraw/zinc/42/39/82/508423982.db2.gz YBQMUGMEQMLFIR-MJGOQNOKSA-N 0 0 358.417 2.504 10 0 FFAERN O=C(Nc1ccc(Cl)cc1OC(F)F)N[C@H]1CCc2ncnn2C1 ZINC000133620272 508425244 /nfs/dbraw/zinc/42/52/44/508425244.db2.gz FDJBVDDNZASLDB-VIFPVBQESA-N 0 0 357.748 2.669 10 0 FFAERN CC(C)NC(=O)Nc1cccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000121827348 508426690 /nfs/dbraw/zinc/42/66/90/508426690.db2.gz KSBGVTUPLOQYEP-JXFKEZNVSA-N 0 0 359.470 2.984 10 0 FFAERN CC(=O)N[C@@H](CC(=O)N1CCO[C@H](c2ccc(C)o2)C1)c1ccccc1 ZINC000133631834 508427029 /nfs/dbraw/zinc/42/70/29/508427029.db2.gz YGAYCGYPUDFQKZ-HKUYNNGSSA-N 0 0 356.422 2.755 10 0 FFAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCc2ccn(C3CCCC3)n2)C1 ZINC000152341106 508427507 /nfs/dbraw/zinc/42/75/07/508427507.db2.gz RAHNXDAUPQNRLS-INIZCTEOSA-N 0 0 361.490 2.589 10 0 FFAERN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c(C)cc1Br ZINC000156515641 508432297 /nfs/dbraw/zinc/43/22/97/508432297.db2.gz VAMZBBSPKXFCLR-CQSZACIVSA-N 0 0 353.260 2.759 10 0 FFAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2ccc(C)cc2F)CC1 ZINC000115748271 508433758 /nfs/dbraw/zinc/43/37/58/508433758.db2.gz BDFIKTHCPKOVSO-UHFFFAOYSA-N 0 0 359.449 2.834 10 0 FFAERN C[C@@H](c1ccccc1)[C@](C)(O)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000121875240 508437690 /nfs/dbraw/zinc/43/76/90/508437690.db2.gz RHLYMEHCGRJKGY-KKSFZXQISA-N 0 0 355.482 2.756 10 0 FFAERN Cc1ccc([C@H]2CN(C(=O)c3ccc4c(c3)NC(=O)CS4)CCO2)o1 ZINC000133729798 508440502 /nfs/dbraw/zinc/44/05/02/508440502.db2.gz FOGLBDNCPIDJST-OAHLLOKOSA-N 0 0 358.419 2.846 10 0 FFAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000133783861 508449277 /nfs/dbraw/zinc/44/92/77/508449277.db2.gz JPIIOSKEXQRNMQ-UGSOOPFHSA-N 0 0 359.447 2.777 10 0 FFAERN CC(C)(C)OC[C@H](O)CN1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000127440402 508450575 /nfs/dbraw/zinc/45/05/75/508450575.db2.gz GYXLQMIQQVXRBW-DLBZAZTESA-N 0 0 360.498 2.779 10 0 FFAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCC(N2CCNC2=O)CC1 ZINC000127473752 508456147 /nfs/dbraw/zinc/45/61/47/508456147.db2.gz IADOTHKVBLAHAT-GOSISDBHSA-N 0 0 370.497 2.899 10 0 FFAERN O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000152492060 508457594 /nfs/dbraw/zinc/45/75/94/508457594.db2.gz VVKUXNGRCGTVME-MOPGFXCFSA-N 0 0 355.413 2.694 10 0 FFAERN O=C(Nc1ccc(F)cc1OCC1CC1)C(=O)N[C@H]1COc2ccccc21 ZINC000156659548 508458464 /nfs/dbraw/zinc/45/84/64/508458464.db2.gz RSFHLGHLPXDKTA-INIZCTEOSA-N 0 0 370.380 2.803 10 0 FFAERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccc(OC(F)F)cc3)CCO2)[nH]1 ZINC000152500451 508459655 /nfs/dbraw/zinc/45/96/55/508459655.db2.gz DZPAXUFGRVKAFN-LBPRGKRZSA-N 0 0 367.356 2.574 10 0 FFAERN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC[C@H]2c2ccco2)no1 ZINC000116046541 508465349 /nfs/dbraw/zinc/46/53/49/508465349.db2.gz MRBSJLZDTVYUCB-STQMWFEESA-N 0 0 363.439 3.000 10 0 FFAERN Cc1ccc(C(=O)CCC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000133909872 508466527 /nfs/dbraw/zinc/46/65/27/508466527.db2.gz MRSCOIAGQRDPBV-INIZCTEOSA-N 0 0 354.454 2.804 10 0 FFAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CSc3nnnn3C3CC3)C2)cc1 ZINC000122020350 508468269 /nfs/dbraw/zinc/46/82/69/508468269.db2.gz GIEYJWHNTQFLPK-TZMCWYRMSA-N 0 0 373.482 2.513 10 0 FFAERN CCCCCOc1cc(C)ccc1CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000122041358 508472366 /nfs/dbraw/zinc/47/23/66/508472366.db2.gz UJTFGKATMQKSGR-KRWDZBQOSA-N 0 0 371.485 2.970 10 0 FFAERN Cn1cc([C@@H]2CCN(C(=O)c3cc(Cl)nc(N4CCCC4)c3)C2)cn1 ZINC000116113226 508473364 /nfs/dbraw/zinc/47/33/64/508473364.db2.gz MXFMOVLQIIWLEE-CYBMUJFWSA-N 0 0 359.861 2.698 10 0 FFAERN Cn1cc([C@H]2CCN(C(=O)c3ccn(-c4cccc(Cl)c4)n3)C2)cn1 ZINC000116118712 508473697 /nfs/dbraw/zinc/47/36/97/508473697.db2.gz YOCMLXJTFBCRNF-ZDUSSCGKSA-N 0 0 355.829 2.889 10 0 FFAERN CC(=O)c1ccc(OCCCC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116117976 508473985 /nfs/dbraw/zinc/47/39/85/508473985.db2.gz VVPOXQMZNYWWKW-QGZVFWFLSA-N 0 0 355.438 2.798 10 0 FFAERN Cn1cc([C@H]2CCN(C(=O)CCCc3nnc(-c4ccccc4)o3)C2)cn1 ZINC000116122680 508474574 /nfs/dbraw/zinc/47/45/74/508474574.db2.gz ZDUYBDNGZRDZFV-INIZCTEOSA-N 0 0 365.437 2.809 10 0 FFAERN COc1ccc(SCC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000122063203 508475083 /nfs/dbraw/zinc/47/50/83/508475083.db2.gz HVJYFCNAOOAIHP-HNNXBMFYSA-N 0 0 372.494 2.705 10 0 FFAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CCc1nc(C2CCCC2)no1 ZINC000122091696 508479348 /nfs/dbraw/zinc/47/93/48/508479348.db2.gz IXNOUWTZAQMTIP-INIZCTEOSA-N 0 0 357.458 2.856 10 0 FFAERN Cc1ccc([C@H](C)NC(=O)N2CCCN(c3cccnn3)CC2)cc1F ZINC000156806832 508480610 /nfs/dbraw/zinc/48/06/10/508480610.db2.gz GTFJZPOKOZVHBP-HNNXBMFYSA-N 0 0 357.433 2.907 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](c1cccnc1)C(C)C ZINC000122107773 508481655 /nfs/dbraw/zinc/48/16/55/508481655.db2.gz FRCAAOALDUOSHE-JKSUJKDBSA-N 0 0 356.474 2.809 10 0 FFAERN CCCc1c(C(=O)N[C@@H](C)c2nnc3n2CCCC3)[nH]c(C)c1C(C)=O ZINC000134027199 508482550 /nfs/dbraw/zinc/48/25/50/508482550.db2.gz TVTPQJZBOQKGCB-LBPRGKRZSA-N 0 0 357.458 2.897 10 0 FFAERN Cc1ccc([C@H]2CN(C(=O)c3sc(-c4cnn(C)c4)nc3C)CCO2)o1 ZINC000134033289 508483721 /nfs/dbraw/zinc/48/37/21/508483721.db2.gz CEZTYZSXOUWTTI-OAHLLOKOSA-N 0 0 372.450 2.967 10 0 FFAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)/C=C/c3cnn(C)c3C)C2)c1 ZINC000127670845 508484059 /nfs/dbraw/zinc/48/40/59/508484059.db2.gz LNSQDATVPQFPSA-SQRWCISFSA-N 0 0 355.438 2.775 10 0 FFAERN O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCCN(c2cccnn2)CC1 ZINC000116193367 508484295 /nfs/dbraw/zinc/48/42/95/508484295.db2.gz ZTTSQXMKTVYYNQ-UONOGXRCSA-N 0 0 358.392 2.597 10 0 FFAERN Cc1cc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c2cnn(C)c2n1 ZINC000134058512 508487286 /nfs/dbraw/zinc/48/72/86/508487286.db2.gz YDYBARYPCLKLAS-GFCCVEGCSA-N 0 0 371.391 2.564 10 0 FFAERN Cc1ccc([C@H]2CCCCN2C(=O)CN2C(=O)c3ccccc3C2=O)o1 ZINC000127694092 508487413 /nfs/dbraw/zinc/48/74/13/508487413.db2.gz LVBRQARANVNHAH-MRXNPFEDSA-N 0 0 352.390 2.938 10 0 FFAERN CCO[C@H]1C[C@H](N(C)C(=O)c2nc3nc(C)cc(C)n3n2)C12CCCC2 ZINC000134059046 508487815 /nfs/dbraw/zinc/48/78/15/508487815.db2.gz GAZPVQJSGDDWCC-GJZGRUSLSA-N 0 0 357.458 2.551 10 0 FFAERN CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000116228462 508489030 /nfs/dbraw/zinc/48/90/30/508489030.db2.gz LJRZXPJAYNQYDB-YLJYHZDGSA-N 0 0 368.481 2.640 10 0 FFAERN O=C(c1cncc(-c2ccccc2)c1)N1CCCN(c2cccnn2)CC1 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508629249 /nfs/dbraw/zinc/62/92/49/508629249.db2.gz FAHFKCGLHJFTSZ-SNVBAGLBSA-N 0 0 362.854 2.759 10 0 FFAERN CCCCOc1ccc(CNC(=O)NCCn2cc(C)cn2)cc1OC ZINC000118058494 508629266 /nfs/dbraw/zinc/62/92/66/508629266.db2.gz KLWBHKOVNRJRGB-UHFFFAOYSA-N 0 0 360.458 2.878 10 0 FFAERN O=C(Cn1nnc(-c2ccccc2)n1)N[C@H]1CCCc2cc(F)ccc21 ZINC000157902611 508629483 /nfs/dbraw/zinc/62/94/83/508629483.db2.gz OSSWHUIRTTYLOD-KRWDZBQOSA-N 0 0 351.385 2.673 10 0 FFAERN Cc1cnn(CCNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)c1 ZINC000118062367 508629689 /nfs/dbraw/zinc/62/96/89/508629689.db2.gz HXYLAJDJXBATBT-ZDUSSCGKSA-N 0 0 365.275 2.884 10 0 FFAERN Cc1cnn(CCNC(=O)NCCCO[C@@H]2CCCc3ccccc32)c1 ZINC000118075981 508630259 /nfs/dbraw/zinc/63/02/59/508630259.db2.gz WOZDWEDUXWKCHL-LJQANCHMSA-N 0 0 356.470 2.975 10 0 FFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cncc(-c2ccccc2)c1 ZINC000135625935 508632937 /nfs/dbraw/zinc/63/29/37/508632937.db2.gz KYBARAAHRFGIKB-IBGZPJMESA-N 0 0 359.433 2.937 10 0 FFAERN COc1ccnc(N2CCC(C(=O)N3CCCc4cccc(F)c43)CC2)n1 ZINC000153726923 508636113 /nfs/dbraw/zinc/63/61/13/508636113.db2.gz ZNCIYVFRIPXDGS-UHFFFAOYSA-N 0 0 370.428 2.820 10 0 FFAERN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000128739154 508636745 /nfs/dbraw/zinc/63/67/45/508636745.db2.gz YKYLOLUGUKSUQG-INIZCTEOSA-N 0 0 360.483 2.839 10 0 FFAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000118133003 508637460 /nfs/dbraw/zinc/63/74/60/508637460.db2.gz KSFZPKVOWGZXNC-UHFFFAOYSA-N 0 0 364.405 2.739 10 0 FFAERN Cc1nn(C(F)F)c(C)c1CC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135724072 508643288 /nfs/dbraw/zinc/64/32/88/508643288.db2.gz ONZNVEJNYOLJKA-AWEZNQCLSA-N 0 0 350.369 2.512 10 0 FFAERN Cc1ccc(Br)c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000157999881 508643698 /nfs/dbraw/zinc/64/36/98/508643698.db2.gz NVTHFFZPKLYULL-BBRMVZONSA-N 0 0 367.287 2.550 10 0 FFAERN Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)n(C)n1 ZINC000135748471 508645498 /nfs/dbraw/zinc/64/54/98/508645498.db2.gz 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508676465 /nfs/dbraw/zinc/67/64/65/508676465.db2.gz VHKYSPUTFWLEDW-NWDGAFQWSA-N 0 0 361.515 2.900 10 0 FFAERN CC(=O)N[C@H]1CCCN(C(=O)CCCc2ccccc2Br)C1 ZINC000153926971 508678709 /nfs/dbraw/zinc/67/87/09/508678709.db2.gz WETHEVBEBGQDFJ-HNNXBMFYSA-N 0 0 367.287 2.899 10 0 FFAERN CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000153966666 508688094 /nfs/dbraw/zinc/68/80/94/508688094.db2.gz OSJHLMQCVHSHBN-AWEZNQCLSA-N 0 0 367.492 2.828 10 0 FFAERN C[C@@H]1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)C[C@@H](C)C1 ZINC000158338690 508690340 /nfs/dbraw/zinc/69/03/40/508690340.db2.gz PBGYLTAFEFPLHU-CABCVRRESA-N 0 0 350.484 2.735 10 0 FFAERN Cc1c(/C=C/C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)cnn1C ZINC000158367791 508694087 /nfs/dbraw/zinc/69/40/87/508694087.db2.gz HJSKRJXNFNCYMT-LXKVQUBZSA-N 0 0 351.410 2.712 10 0 FFAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000123495392 508695949 /nfs/dbraw/zinc/69/59/49/508695949.db2.gz YHRCLBLGGUSQPH-FZMZJTMJSA-N 0 0 373.375 2.956 10 0 FFAERN 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/nfs/dbraw/zinc/72/13/70/508721370.db2.gz QBOQXZIGZINBOE-CQSZACIVSA-N 0 0 351.454 2.865 10 0 FFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1c[nH]c3cc(F)ccc13)CC2 ZINC000136866813 508721673 /nfs/dbraw/zinc/72/16/73/508721673.db2.gz RVXBAQMOGSMRAI-AWEZNQCLSA-N 0 0 355.417 2.696 10 0 FFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCc1nnc(C3CCCC3)o1)CC2 ZINC000158575546 508723293 /nfs/dbraw/zinc/72/32/93/508723293.db2.gz XPRHTTYISBOWQD-CQSZACIVSA-N 0 0 372.473 2.506 10 0 FFAERN O=C(Nc1ccccc1O[C@H]1CCOC1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000129433365 508726163 /nfs/dbraw/zinc/72/61/63/508726163.db2.gz UMAPUPFCZPERHG-GOEBONIOSA-N 0 0 370.405 2.750 10 0 FFAERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000136991487 508730469 /nfs/dbraw/zinc/73/04/69/508730469.db2.gz KCBFSHVXGLDOPO-HUUCEWRRSA-N 0 0 359.392 2.775 10 0 FFAERN CNC(=O)CCCN(C)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000123804077 508740297 /nfs/dbraw/zinc/74/02/97/508740297.db2.gz SJFWORZCNJOEQB-INIZCTEOSA-N 0 0 359.470 2.991 10 0 FFAERN 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508783785 /nfs/dbraw/zinc/78/37/85/508783785.db2.gz QPCYDVPUAHYWFN-GOSISDBHSA-N 0 0 354.410 2.750 10 0 FFAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3)C2)C1 ZINC000139111728 508784051 /nfs/dbraw/zinc/78/40/51/508784051.db2.gz IEZPMPPVRPDTEU-ROUUACIJSA-N 0 0 367.497 2.663 10 0 FFAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000154433313 508784209 /nfs/dbraw/zinc/78/42/09/508784209.db2.gz IHEGSKNLGKPQJI-MAUKXSAKSA-N 0 0 366.417 2.821 10 0 FFAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H](C)c3cc(C)cc(C)c3)CCO2)[nH]1 ZINC000139440722 508789473 /nfs/dbraw/zinc/78/94/73/508789473.db2.gz AZZAGZMLOCOLEF-ZBFHGGJFSA-N 0 0 357.458 2.828 10 0 FFAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000130076428 508793132 /nfs/dbraw/zinc/79/31/32/508793132.db2.gz JMRSCDFQVMQYFG-UKRRQHHQSA-N 0 0 372.387 2.787 10 0 FFAERN CC(=O)N[C@H](CC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1)c1ccccc1 ZINC000154485826 508794588 /nfs/dbraw/zinc/79/45/88/508794588.db2.gz ZBDYCPJYUWAKCW-OTWHNJEPSA-N 0 0 370.449 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C[C@@H]1CN(C(=O)Nc2ccccc2CC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000177878375 510304155 /nfs/dbraw/zinc/30/41/55/510304155.db2.gz QOYURUFHJPSJGD-CJNGLKHVSA-N 0 0 371.403 2.976 10 0 FFAERN C[C@H](O)CCN(C)C(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000246129163 510310374 /nfs/dbraw/zinc/31/03/74/510310374.db2.gz QKASLVWBGGWIPK-TXPKVOOTSA-N 0 0 364.486 2.724 10 0 FFAERN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CCS[C@@H](C)C2)c1 ZINC000171693682 510311071 /nfs/dbraw/zinc/31/10/71/510311071.db2.gz RTOLUYIVMSCIJV-IHRRRGAJSA-N 0 0 352.500 2.707 10 0 FFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000246132793 510312501 /nfs/dbraw/zinc/31/25/01/510312501.db2.gz MMVOSTCGUQFRKD-WMZOPIPTSA-N 0 0 368.485 2.698 10 0 FFAERN Cc1cc(-n2c(C)cc(C(=O)CN3CCC[C@H](n4cncn4)C3)c2C)no1 ZINC000171702412 510317160 /nfs/dbraw/zinc/31/71/60/510317160.db2.gz BJFCRYVYFWJCGQ-INIZCTEOSA-N 0 0 368.441 2.502 10 0 FFAERN O=C1[C@H](N2CCO[C@@H](c3nccs3)C2)CCN1c1cccc(Cl)c1 ZINC000246143251 510317634 /nfs/dbraw/zinc/31/76/34/510317634.db2.gz GULZZZGBXXLFPT-HUUCEWRRSA-N 0 0 363.870 2.975 10 0 FFAERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000184425907 510319409 /nfs/dbraw/zinc/31/94/09/510319409.db2.gz AQKYXAZIEYVVNW-KBPBESRZSA-N 0 0 372.391 2.920 10 0 FFAERN Cc1ccc2c(c1)[C@H](NC(=O)CCN1C(=O)NC3(CCCC3)C1=O)[C@@H](C)C2 ZINC000181245550 510320743 /nfs/dbraw/zinc/32/07/43/510320743.db2.gz JLNFGMNZEUATCE-KBXCAEBGSA-N 0 0 369.465 2.599 10 0 FFAERN C[C@@H](CNC(=O)N1CCC(Nc2nccs2)CC1)CC1(C)OCCO1 ZINC000187543581 510323259 /nfs/dbraw/zinc/32/32/59/510323259.db2.gz SBUNUROMNVSREH-CYBMUJFWSA-N 0 0 368.503 2.518 10 0 FFAERN CCn1cc([C@H]2CN([C@@H](C)c3cn(-c4ccccc4)nn3)CCO2)cn1 ZINC000190750557 510324192 /nfs/dbraw/zinc/32/41/92/510324192.db2.gz YRKVQSYHPHFWBX-HNAYVOBHSA-N 0 0 352.442 2.618 10 0 FFAERN CCOc1ccc(OCC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000187548790 510326602 /nfs/dbraw/zinc/32/66/02/510326602.db2.gz QKKVKVGDXRTGFI-YJBOKZPZSA-N 0 0 361.463 2.760 10 0 FFAERN C[C@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1nnc2n1CCCC2 ZINC000177921056 510328272 /nfs/dbraw/zinc/32/82/72/510328272.db2.gz YKGCFBBRAVRQOA-XJKSGUPXSA-N 0 0 373.432 2.598 10 0 FFAERN C[C@H](NC(=O)N1CCCN(c2ccccc2)CC1)c1nnc2n1CCCC2 ZINC000177929903 510331493 /nfs/dbraw/zinc/33/14/93/510331493.db2.gz KPTHIVLVLRIZSO-INIZCTEOSA-N 0 0 368.485 2.597 10 0 FFAERN C[C@@H](COCc1ccccc1)NC(=O)N(C)Cc1ncc(Cl)n1C ZINC000181274119 510332615 /nfs/dbraw/zinc/33/26/15/510332615.db2.gz XVHOZRGCKWAYRK-ZDUSSCGKSA-N 0 0 350.850 2.820 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](Nc1cc(N3CCC[C@@H](C)C3)ncn1)CC2 ZINC000246166281 510333107 /nfs/dbraw/zinc/33/31/07/510333107.db2.gz NBRRVVISUONNIK-CABCVRRESA-N 0 0 355.490 2.855 10 0 FFAERN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N2CCS[C@@H](C)C2)c1 ZINC000246169062 510334560 /nfs/dbraw/zinc/33/45/60/510334560.db2.gz RTOLUYIVMSCIJV-MELADBBJSA-N 0 0 352.500 2.707 10 0 FFAERN CN(CC1CC(O)C1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000190773324 510335558 /nfs/dbraw/zinc/33/55/58/510335558.db2.gz WMPKXLXWSGABFA-BTJFUYOGSA-N 0 0 369.868 2.637 10 0 FFAERN COC(=O)c1sccc1NC(=O)C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181280568 510335758 /nfs/dbraw/zinc/33/57/58/510335758.db2.gz AINBTPBPSBHYGA-NHYWBVRUSA-N 0 0 372.446 2.831 10 0 FFAERN CCn1cc([C@@H]2CN([C@@H](C)C(=O)Nc3cc(C)ccc3C)CCO2)cn1 ZINC000190779026 510339966 /nfs/dbraw/zinc/33/99/66/510339966.db2.gz UWOZWLDDGXTXEX-LPHOPBHVSA-N 0 0 356.470 2.920 10 0 FFAERN COC(=O)c1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)nc1 ZINC000174847216 510341109 /nfs/dbraw/zinc/34/11/09/510341109.db2.gz GKKJMPCMGAKSCD-WMZOPIPTSA-N 0 0 354.406 2.597 10 0 FFAERN C[C@H](CCNC(=O)Nc1cnn(CC(F)F)c1)NC(=O)OC(C)(C)C ZINC000174849238 510341342 /nfs/dbraw/zinc/34/13/42/510341342.db2.gz IGOQPGWZZFNGMO-SNVBAGLBSA-N 0 0 361.393 2.573 10 0 FFAERN COC(=O)c1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)nc1 ZINC000174847206 510341498 /nfs/dbraw/zinc/34/14/98/510341498.db2.gz GKKJMPCMGAKSCD-AEFFLSMTSA-N 0 0 354.406 2.597 10 0 FFAERN CCCOc1cccc(NC(=O)N2CCCN(Cc3noc(C)n3)CC2)c1 ZINC000174849830 510342931 /nfs/dbraw/zinc/34/29/31/510342931.db2.gz YWMAFZDFDVDIID-UHFFFAOYSA-N 0 0 373.457 2.907 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)c2cccc(C)c2F)C1 ZINC000181298773 510343791 /nfs/dbraw/zinc/34/37/91/510343791.db2.gz BBQQLPWAPOJXIO-CQSZACIVSA-N 0 0 351.447 2.919 10 0 FFAERN C[C@@H](NC(=O)N[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(F)c(F)c1 ZINC000184475003 510343886 /nfs/dbraw/zinc/34/38/86/510343886.db2.gz YFOXXYYVGKKDHT-BMIGLBTASA-N 0 0 366.389 2.854 10 0 FFAERN CC[C@@H](NC(=O)c1ncncc1Cl)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000177950925 510344666 /nfs/dbraw/zinc/34/46/66/510344666.db2.gz KULCOQNHMJSXJO-SJORKVTESA-N 0 0 374.872 2.539 10 0 FFAERN CCOc1ccc([C@@H](C)NC(=O)CN2CCS[C@@H](C)C2)cc1OC ZINC000246184333 510346717 /nfs/dbraw/zinc/34/67/17/510346717.db2.gz VGLZABOKNOLSRQ-UONOGXRCSA-N 0 0 352.500 2.708 10 0 FFAERN CC(C)[C@H](NC(=O)N1CCO[C@]2(CCOC2)C1)c1ccc(F)cc1F ZINC000184481875 510347131 /nfs/dbraw/zinc/34/71/31/510347131.db2.gz ZGWMAOWNARELHU-FUHWJXTLSA-N 0 0 354.397 2.863 10 0 FFAERN CC1(C)C[C@@H](NC(=O)NCCc2cccc(C(N)=O)c2)c2ccccc2O1 ZINC000177965882 510348659 /nfs/dbraw/zinc/34/86/59/510348659.db2.gz XIVJLGGPGKIOQK-QGZVFWFLSA-N 0 0 367.449 2.930 10 0 FFAERN CC[C@H](CN(C)C(=O)[C@@H](C)NC(N)=O)Oc1ccc(Cl)c(Cl)c1 ZINC000190799286 510349028 /nfs/dbraw/zinc/34/90/28/510349028.db2.gz HSLHITSSUXOVPV-NXEZZACHSA-N 0 0 362.257 2.666 10 0 FFAERN Cc1nc(Br)ccc1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000181313299 510350918 /nfs/dbraw/zinc/35/09/18/510350918.db2.gz DKJLCTOSNMOOPA-LLVKDONJSA-N 0 0 365.235 2.613 10 0 FFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000246191711 510351977 /nfs/dbraw/zinc/35/19/77/510351977.db2.gz VQSXHLPPZYKNPL-OKZBNKHCSA-N 0 0 369.469 2.719 10 0 FFAERN O=C(c1cccc(-n2cccn2)n1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174866683 510354214 /nfs/dbraw/zinc/35/42/14/510354214.db2.gz TWRQUTJDZREADL-IEBWSBKVSA-N 0 0 362.433 2.996 10 0 FFAERN CCc1cnc(NC(=O)C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)s1 ZINC000190813532 510357448 /nfs/dbraw/zinc/35/74/48/510357448.db2.gz XQSIRGUSUJDXSG-NSHDSACASA-N 0 0 363.443 2.514 10 0 FFAERN CSc1ccccc1NC(=O)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177981469 510358191 /nfs/dbraw/zinc/35/81/91/510358191.db2.gz HIIUOQMUPPBOGG-AWEZNQCLSA-N 0 0 358.467 2.543 10 0 FFAERN CCO[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccnn2C(C)C)C12CCCC2 ZINC000190819327 510358863 /nfs/dbraw/zinc/35/88/63/510358863.db2.gz PRMVVPXQFHNYIC-GJZGRUSLSA-N 0 0 362.474 2.599 10 0 FFAERN C[C@H](NC(=O)N1Cc2ccccc2N(C)C[C@H]1C)C(=O)N1CCCC[C@@H]1C ZINC000246201921 510359610 /nfs/dbraw/zinc/35/96/10/510359610.db2.gz XALCKRDWVFQLRR-BBWFWOEESA-N 0 0 372.513 2.826 10 0 FFAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000177983896 510360328 /nfs/dbraw/zinc/36/03/28/510360328.db2.gz OCFWAFYKPXLTFP-CYBMUJFWSA-N 0 0 364.808 2.614 10 0 FFAERN CCn1cc([C@@H]2CN(CC(=O)Nc3sc(C)c(C)c3C)CCO2)cn1 ZINC000190827592 510362741 /nfs/dbraw/zinc/36/27/41/510362741.db2.gz OHVRVYCYLQZZMH-INIZCTEOSA-N 0 0 362.499 2.902 10 0 FFAERN COc1cc(NC(=O)CNC(=O)[C@H]2C[C@H]2C2CCCCC2)cc(OC)c1 ZINC000177996749 510366521 /nfs/dbraw/zinc/36/65/21/510366521.db2.gz DIWDXHXDTATCTR-ROUUACIJSA-N 0 0 360.454 2.975 10 0 FFAERN COC[C@H](NCC(=O)N1CCC[C@H]1c1ccc(OC)cc1)c1ccco1 ZINC000184516779 510368004 /nfs/dbraw/zinc/36/80/04/510368004.db2.gz HDVVALLFMCJPFS-ROUUACIJSA-N 0 0 358.438 2.929 10 0 FFAERN CC(C)(CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000262691000 510370113 /nfs/dbraw/zinc/37/01/13/510370113.db2.gz DXRZYLWHMKTDGG-QAQDUYKDSA-N 0 0 358.482 2.831 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1nc3c(s1)CCCC3)CC2 ZINC000181363363 510374943 /nfs/dbraw/zinc/37/49/43/510374943.db2.gz IAJOZGHJDHZLIK-NSHDSACASA-N 0 0 360.487 2.873 10 0 FFAERN CN1C(=O)CC[C@@H](C(=O)NCCCOCC(F)(F)F)[C@H]1c1ccccc1 ZINC000171796911 510375091 /nfs/dbraw/zinc/37/50/91/510375091.db2.gz IVUUIOPCGTYNCA-GDBMZVCRSA-N 0 0 372.387 2.681 10 0 FFAERN C[C@@H](COCc1ccccc1)NC(=O)NCc1cccnc1-n1ccnc1 ZINC000174901878 510376559 /nfs/dbraw/zinc/37/65/59/510376559.db2.gz UIINTXRGRUZDDP-INIZCTEOSA-N 0 0 365.437 2.672 10 0 FFAERN CC[C@H](COC)NC(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000174910571 510381496 /nfs/dbraw/zinc/38/14/96/510381496.db2.gz WVAKJQMIUOZGAT-QGZVFWFLSA-N 0 0 372.469 2.594 10 0 FFAERN CCCc1cnc(NC(=O)C(=O)N[C@H]2CCOc3c(C)cccc32)s1 ZINC000190866860 510382478 /nfs/dbraw/zinc/38/24/78/510382478.db2.gz JCYSFCMBNBOGGT-AWEZNQCLSA-N 0 0 359.451 2.983 10 0 FFAERN Cc1cnn(CCNC(=O)C(=O)Nc2cccc(CSC(C)C)c2C)c1 ZINC000174912227 510383107 /nfs/dbraw/zinc/38/31/07/510383107.db2.gz JNIMJEVLUQZLEU-UHFFFAOYSA-N 0 0 374.510 2.896 10 0 FFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000187676931 510383261 /nfs/dbraw/zinc/38/32/61/510383261.db2.gz CTAABNRBYZDKJK-HXUWFJFHSA-N 0 0 360.454 2.630 10 0 FFAERN C[C@H](NC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1)C1CCCC1 ZINC000174919098 510386305 /nfs/dbraw/zinc/38/63/05/510386305.db2.gz WXAGPSMRRLTGLG-AWEZNQCLSA-N 0 0 361.490 2.743 10 0 FFAERN C[C@@H](CC(=O)N[C@@H]1CCCN(c2cccnn2)C1)C(=O)c1cccc(F)c1 ZINC000174929561 510391731 /nfs/dbraw/zinc/39/17/31/510391731.db2.gz QMEMQIWOZNJWLX-WMLDXEAASA-N 0 0 370.428 2.610 10 0 FFAERN CS(=O)(=O)Cc1ccc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000246255189 510391855 /nfs/dbraw/zinc/39/18/55/510391855.db2.gz ITGOZUPDUWSEDV-GUDVDZBRSA-N 0 0 355.459 2.547 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(C(=O)Cn2c(C)nc3ccccc32)C1 ZINC000171821114 510391909 /nfs/dbraw/zinc/39/19/09/510391909.db2.gz CGIVYMCBFUZTBL-MRXNPFEDSA-N 0 0 351.454 2.967 10 0 FFAERN Cc1ccc(-c2cncc(C(=O)N3CCNC[C@@H]3c3cnn(C)c3)c2)cc1 ZINC000181407390 510393345 /nfs/dbraw/zinc/39/33/45/510393345.db2.gz KUFGUANQVLEUDO-HXUWFJFHSA-N 0 0 361.449 2.577 10 0 FFAERN O=C(c1cc2c(cccc2Br)[nH]1)N1CCC[C@@H](n2cncn2)C1 ZINC000171823002 510393967 /nfs/dbraw/zinc/39/39/67/510393967.db2.gz OCZVOQOMADPQEK-LLVKDONJSA-N 0 0 374.242 2.999 10 0 FFAERN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CC[C@@H](Oc3cccnc3)C2)c1C ZINC000246260250 510393921 /nfs/dbraw/zinc/39/39/21/510393921.db2.gz PWRRPZWDUGYVLU-WMLDXEAASA-N 0 0 355.438 2.954 10 0 FFAERN O=C(Nc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246259774 510394637 /nfs/dbraw/zinc/39/46/37/510394637.db2.gz ZBVZIQWYJNGWSH-MGPQQGTHSA-N 0 0 368.355 2.718 10 0 FFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ncn(C3CCCCC3)n2)C1 ZINC000184570548 510394770 /nfs/dbraw/zinc/39/47/70/510394770.db2.gz FQNVBVKQDWLMEM-CQSZACIVSA-N 0 0 372.477 2.806 10 0 FFAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000246262737 510395852 /nfs/dbraw/zinc/39/58/52/510395852.db2.gz GLNPZKUVOSFFBM-WBVHZDCISA-N 0 0 369.469 2.911 10 0 FFAERN O=C(CCCCNC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12)OCc1ccccc1 ZINC000187718807 510400024 /nfs/dbraw/zinc/40/00/24/510400024.db2.gz QSRRSSDBTLXBHN-KZNAEPCWSA-N 0 0 360.454 2.767 10 0 FFAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@H](c3ccccc3)C3CC3)CCO2)c1 ZINC000171838626 510401879 /nfs/dbraw/zinc/40/18/79/510401879.db2.gz OIPDROAPUOUJOQ-RBUKOAKNSA-N 0 0 354.454 2.753 10 0 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509193753 /nfs/dbraw/zinc/19/37/53/509193753.db2.gz PZBQZFGNLINZPC-MRXNPFEDSA-N 0 0 359.861 2.836 10 0 FFAERN CC(C)c1nnc(CSCc2ccc(S(=O)(=O)N(C)C)cc2)n1C ZINC000182360224 509195070 /nfs/dbraw/zinc/19/50/70/509195070.db2.gz MLTXPZWSAWAMPM-UHFFFAOYSA-N 0 0 368.528 2.622 10 0 FFAERN Cn1nccc1C1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000195502244 509195084 /nfs/dbraw/zinc/19/50/84/509195084.db2.gz ZZKQJKWGGUTYIJ-UHFFFAOYSA-N 0 0 369.437 2.796 10 0 FFAERN Cn1nccc1C1CCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000195502040 509195210 /nfs/dbraw/zinc/19/52/10/509195210.db2.gz SMKHXWACVOPCNT-LJQANCHMSA-N 0 0 356.445 2.759 10 0 FFAERN Cn1nccc1C1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000195503634 509197027 /nfs/dbraw/zinc/19/70/27/509197027.db2.gz JHKQYAJIVXLXOT-UHFFFAOYSA-N 0 0 360.889 2.612 10 0 FFAERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCn3nc(C)nc32)C12CCCC2 ZINC000175887073 509199507 /nfs/dbraw/zinc/19/95/07/509199507.db2.gz UXOAAPMWTFWQGD-OWCLPIDISA-N 0 0 361.490 2.801 10 0 FFAERN CN(Cc1ccc(Cl)s1)C(=O)CN1CCC(c2cc[nH]n2)CC1 ZINC000195505699 509199866 /nfs/dbraw/zinc/19/98/66/509199866.db2.gz BHCNHFTTYSAIJF-UHFFFAOYSA-N 0 0 352.891 2.963 10 0 FFAERN CCOC(=O)C[C@@H](NC(=O)Nc1cccn(C)c1=O)c1ccccc1C ZINC000175888315 509200972 /nfs/dbraw/zinc/20/09/72/509200972.db2.gz QPJZRGWXIZSTGC-MRXNPFEDSA-N 0 0 357.410 2.510 10 0 FFAERN Cc1nn(C)c(C)c1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000172734778 509203121 /nfs/dbraw/zinc/20/31/21/509203121.db2.gz VAPJUACXINZISN-GOOCMWNKSA-N 0 0 362.474 2.697 10 0 FFAERN CC(C)(C)OC(=O)NCc1nnnn1C[C@@H]1CCC2(CCCCC2)O1 ZINC000191833988 509203433 /nfs/dbraw/zinc/20/34/33/509203433.db2.gz UZEHAUVGQLRRES-ZDUSSCGKSA-N 0 0 351.451 2.580 10 0 FFAERN c1coc(-c2noc(CN3CCCC[C@@H]3c3nnc4n3CCCC4)n2)c1 ZINC000195511884 509204339 /nfs/dbraw/zinc/20/43/39/509204339.db2.gz PANDSHDXUKFZSE-CYBMUJFWSA-N 0 0 354.414 2.985 10 0 FFAERN CCn1c(-c2cccc(OC3CCCC3)c2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000195512198 509204736 /nfs/dbraw/zinc/20/47/36/509204736.db2.gz OLTYMYIDVLEBOP-UHFFFAOYSA-N 0 0 368.437 2.915 10 0 FFAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)N[C@H](C)c3ccccn3)CC2)n1 ZINC000185499033 509207236 /nfs/dbraw/zinc/20/72/36/509207236.db2.gz OMINMUCUYKEZCI-MRXNPFEDSA-N 0 0 368.485 2.896 10 0 FFAERN Cc1cc(O[C@@H](C)C(=O)N2CC[C@H](N3CCOCC3)C2)ccc1C(C)C ZINC000172743641 509207548 /nfs/dbraw/zinc/20/75/48/509207548.db2.gz KCQAVXVKEQQXPN-ROUUACIJSA-N 0 0 360.498 2.819 10 0 FFAERN O=C(c1ccccc1Cc1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172747962 509208610 /nfs/dbraw/zinc/20/86/10/509208610.db2.gz SPWRRSJNABBBBX-HXUWFJFHSA-N 0 0 350.462 2.824 10 0 FFAERN CC(=O)N1CC[C@@H](NC(=O)Cc2csc(C)n2)c2ccc(F)cc2C1 ZINC000185502672 509209736 /nfs/dbraw/zinc/20/97/36/509209736.db2.gz VTERIQBFTZWXHG-QGZVFWFLSA-N 0 0 361.442 2.743 10 0 FFAERN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172750320 509210799 /nfs/dbraw/zinc/21/07/99/509210799.db2.gz MWUCPZDLRUATAN-MJGOQNOKSA-N 0 0 360.498 2.819 10 0 FFAERN CC(C)(C(=O)N1CC[C@@H](N2CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000172749668 509211581 /nfs/dbraw/zinc/21/15/81/509211581.db2.gz FNAGVFSOTIWCFJ-MRXNPFEDSA-N 0 0 370.415 2.916 10 0 FFAERN COc1ccnc(N2CCC(C(=O)Nc3cc(F)c(F)c(F)c3)CC2)n1 ZINC000172749063 509211699 /nfs/dbraw/zinc/21/16/99/509211699.db2.gz WXDNXXQDYSHRSP-UHFFFAOYSA-N 0 0 366.343 2.758 10 0 FFAERN Cc1cc2c(cc1C)[C@H](C(=O)N[C@H]1CCc3nnc(C(C)C)n3C1)CO2 ZINC000185507710 509211933 /nfs/dbraw/zinc/21/19/33/509211933.db2.gz KWDLAQBCKDHIQQ-GOEBONIOSA-N 0 0 354.454 2.626 10 0 FFAERN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)N[C@@H]1CCCn2ncnc21 ZINC000175910594 509212505 /nfs/dbraw/zinc/21/25/05/509212505.db2.gz LXNATQPGEDPEAJ-CYBMUJFWSA-N 0 0 374.832 2.715 10 0 FFAERN CCCCOC(=O)c1ccc(NC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000175922786 509217046 /nfs/dbraw/zinc/21/70/46/509217046.db2.gz VSHWJWWAYKQGIR-OAHLLOKOSA-N 0 0 357.414 2.892 10 0 FFAERN CC(=O)N1CC[C@H](NC(=O)COc2ccccc2F)c2ccc(F)cc2C1 ZINC000185518989 509218138 /nfs/dbraw/zinc/21/81/38/509218138.db2.gz XQTQOCPLRLLXAY-SFHVURJKSA-N 0 0 374.387 2.953 10 0 FFAERN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cnns1)c1cccs1 ZINC000188697306 509219217 /nfs/dbraw/zinc/21/92/17/509219217.db2.gz NHAZPIAZJSGVFC-GFCCVEGCSA-N 0 0 358.448 2.579 10 0 FFAERN COC(=O)C1CCC(C(=O)NCCc2ccccc2OC(F)F)CC1 ZINC000188699465 509221417 /nfs/dbraw/zinc/22/14/17/509221417.db2.gz NFJJMEBATPGNNW-UHFFFAOYSA-N 0 0 355.381 2.926 10 0 FFAERN Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172766406 509222959 /nfs/dbraw/zinc/22/29/59/509222959.db2.gz REGGTBNKCNPWJS-MRXNPFEDSA-N 0 0 357.479 2.665 10 0 FFAERN CC(=O)N1CC[C@@H](NC(=O)Cc2c(C)noc2C)c2ccc(F)cc2C1 ZINC000185526503 509223824 /nfs/dbraw/zinc/22/38/24/509223824.db2.gz MJBZBITXVHPQGV-GOSISDBHSA-N 0 0 359.401 2.583 10 0 FFAERN Cn1ccnc1CC1CCN(C(=O)c2cc(=O)[nH]c3ccccc32)CC1 ZINC000162457858 509228966 /nfs/dbraw/zinc/22/89/66/509228966.db2.gz YEOOPGNKPYDUPR-UHFFFAOYSA-N 0 0 350.422 2.769 10 0 FFAERN CC(C)c1nnc2n1CCN(C(=O)[C@@H](C)Oc1cccc(C=O)c1)[C@@H]2C ZINC000188720870 509229844 /nfs/dbraw/zinc/22/98/44/509229844.db2.gz VOWWCTBMAGJJEE-ZIAGYGMSSA-N 0 0 356.426 2.585 10 0 FFAERN Cc1cc(C)n(-c2ccc(NC(=O)N[C@@H]3CCCn4ncnc43)cc2F)n1 ZINC000175951112 509233638 /nfs/dbraw/zinc/23/36/38/509233638.db2.gz XQSVAWITKYJRDB-OAHLLOKOSA-N 0 0 369.404 2.876 10 0 FFAERN CCn1cc([C@@H]2CN(C(=O)Nc3ccc(F)c(F)c3F)CCO2)cn1 ZINC000191898134 509236276 /nfs/dbraw/zinc/23/62/76/509236276.db2.gz FKFILEDHMSAPQQ-ZDUSSCGKSA-N 0 0 354.332 2.926 10 0 FFAERN O=C(NCCN1CCc2sccc2C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182446115 509241070 /nfs/dbraw/zinc/24/10/70/509241070.db2.gz VFHBSLLSTKUVJF-INIZCTEOSA-N 0 0 359.499 2.766 10 0 FFAERN NC(=O)[C@@H](c1ccccc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000248138950 509243197 /nfs/dbraw/zinc/24/31/97/509243197.db2.gz XZZQFMLNLGOBMB-IAGOWNOFSA-N 0 0 362.376 2.888 10 0 FFAERN O=C(CCc1ccc(F)cc1F)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000179058006 509243700 /nfs/dbraw/zinc/24/37/00/509243700.db2.gz VSKSELSVEDTVBJ-MRXNPFEDSA-N 0 0 365.401 2.932 10 0 FFAERN Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@H]1CCCn2ncnc21 ZINC000175968417 509244114 /nfs/dbraw/zinc/24/41/14/509244114.db2.gz LSDOYTGKRLQFFC-HNNXBMFYSA-N 0 0 365.397 2.825 10 0 FFAERN COC(C)(C)CNC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000179065067 509247674 /nfs/dbraw/zinc/24/76/74/509247674.db2.gz YHBUEFOJNWQPEG-UONOGXRCSA-N 0 0 360.376 2.948 10 0 FFAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248161025 509252222 /nfs/dbraw/zinc/25/22/22/509252222.db2.gz SCCZXYBVXUBMKZ-YZVOILCLSA-N 0 0 361.490 2.573 10 0 FFAERN CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182467167 509253727 /nfs/dbraw/zinc/25/37/27/509253727.db2.gz APGAIRCOGVKKNI-GOSISDBHSA-N 0 0 369.469 2.695 10 0 FFAERN C[C@@H]1CC[C@@H](NC(=O)c2cccc(CS(N)(=O)=O)c2)c2ccccc21 ZINC000179078940 509254183 /nfs/dbraw/zinc/25/41/83/509254183.db2.gz IXWVQZLZMVIFAB-FZKQIMNGSA-N 0 0 358.463 2.844 10 0 FFAERN COc1cccc(O[C@@H](C)CNC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)c1 ZINC000172819643 509254611 /nfs/dbraw/zinc/25/46/11/509254611.db2.gz XMGQEUIPMDFGOR-KXBFYZLASA-N 0 0 364.486 2.766 10 0 FFAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cnc(-c3ccncc3)s2)C1 ZINC000172821415 509255718 /nfs/dbraw/zinc/25/57/18/509255718.db2.gz JSMRDUOALBYHND-AWEZNQCLSA-N 0 0 358.467 2.726 10 0 FFAERN O=C1CCc2c1ccc(OS(=O)(=O)C(F)(F)F)c2Br ZINC000216129949 509257446 /nfs/dbraw/zinc/25/74/46/509257446.db2.gz CPZDJYXAKHRXQU-UHFFFAOYSA-N 0 0 359.119 2.806 10 0 FFAERN CN1CCCN(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CC1=O ZINC000191946921 509258886 /nfs/dbraw/zinc/25/88/86/509258886.db2.gz UOSBHHKQGXNXOD-UHFFFAOYSA-N 0 0 350.850 2.636 10 0 FFAERN CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N2CCCN(C)C(=O)C2)cc1 ZINC000191949923 509258983 /nfs/dbraw/zinc/25/89/83/509258983.db2.gz AIDRUZBTOBEXTA-MRXNPFEDSA-N 0 0 361.486 2.669 10 0 FFAERN COc1cc(C)cc(CNC(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000162598558 509261238 /nfs/dbraw/zinc/26/12/38/509261238.db2.gz DKRONZLXXLTCSZ-UHFFFAOYSA-N 0 0 356.470 2.901 10 0 FFAERN CCCC[C@@H](CCC)NC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000175997569 509263837 /nfs/dbraw/zinc/26/38/37/509263837.db2.gz UANJUYNYQQIWGJ-MRXNPFEDSA-N 0 0 351.495 2.954 10 0 FFAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCOCC(F)(F)F ZINC000248270980 509265746 /nfs/dbraw/zinc/26/57/46/509265746.db2.gz QBRPNPRIRIVWES-TZMCWYRMSA-N 0 0 360.376 2.526 10 0 FFAERN C[C@](O)(CCNC(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000188792881 509266434 /nfs/dbraw/zinc/26/64/34/509266434.db2.gz YJBCCKZAZCAPLT-ICSRJNTNSA-N 0 0 355.438 2.542 10 0 FFAERN CC(C)(C)OC(=O)NCc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)co1 ZINC000188791652 509266516 /nfs/dbraw/zinc/26/65/16/509266516.db2.gz JQVLKMOJVKPCNC-SJORKVTESA-N 0 0 372.421 2.692 10 0 FFAERN CCC(CC)CS(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248329677 509270035 /nfs/dbraw/zinc/27/00/35/509270035.db2.gz DGCUOYCWUCBFRZ-HOCLYGCPSA-N 0 0 374.572 2.866 10 0 FFAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000191971028 509270205 /nfs/dbraw/zinc/27/02/05/509270205.db2.gz FCSKYPWYMCXOAE-CJQSEUFMSA-N 0 0 356.470 2.734 10 0 FFAERN C[C@H](NC(=O)N1CCS(=O)(=O)CC[C@H]1C)c1ccc(Cl)s1 ZINC000191972995 509272698 /nfs/dbraw/zinc/27/26/98/509272698.db2.gz BOZXMWYMTCLTPL-ZJUUUORDSA-N 0 0 350.893 2.681 10 0 FFAERN Cc1cc(C)cc(C[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 ZINC000172852962 509273002 /nfs/dbraw/zinc/27/30/02/509273002.db2.gz ILDBPKORAXYGGG-QFBILLFUSA-N 0 0 353.466 2.630 10 0 FFAERN C[C@@H]1CN([C@H](CNS(=O)(=O)CCC(C)(C)C)c2cccs2)CCO1 ZINC000248356574 509274699 /nfs/dbraw/zinc/27/46/99/509274699.db2.gz OLZGMQHRSTYVKF-HUUCEWRRSA-N 0 0 374.572 2.866 10 0 FFAERN CO[C@H](C)c1nc(C)c(C(=O)N2CCC(Cc3nccn3C)CC2)s1 ZINC000162660819 509275906 /nfs/dbraw/zinc/27/59/06/509275906.db2.gz ABJCAXDQNSZARR-CYBMUJFWSA-N 0 0 362.499 2.987 10 0 FFAERN CN(CC(=O)OC(C)(C)C)C1CCN(Cc2cccc(Cl)n2)CC1 ZINC000191985739 509278161 /nfs/dbraw/zinc/27/81/61/509278161.db2.gz VOGHKQAAVFGWHS-UHFFFAOYSA-N 0 0 353.894 2.973 10 0 FFAERN Fc1ccc(-n2cc(CN3CCS[C@H]4COCC[C@H]43)nn2)cc1Cl ZINC000248384682 509282560 /nfs/dbraw/zinc/28/25/60/509282560.db2.gz FTDPCVVQGFNAFG-CVEARBPZSA-N 0 0 368.865 2.766 10 0 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O=C(c1ccc(-c2cc[nH]n2)s1)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899086002 735444978 /nfs/dbraw/zinc/44/49/78/735444978.db2.gz WONWQFMDQFGPMA-LBPRGKRZSA-N 0 0 354.439 2.694 10 0 FFAERN O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(Cl)nc2)CC1 ZINC000009980009 727803811 /nfs/dbraw/zinc/80/38/11/727803811.db2.gz ARMCKSGGEMFZST-UHFFFAOYSA-N 0 0 357.841 2.904 10 0 FFAERN CN(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000041272521 727938356 /nfs/dbraw/zinc/93/83/56/727938356.db2.gz RNNPHBYSDOIESL-NWDGAFQWSA-N 0 0 357.376 2.928 10 0 FFAERN CC(C)COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)cc1Cl ZINC000041915569 727949894 /nfs/dbraw/zinc/94/98/94/727949894.db2.gz BXCFDTUXMQXSHH-DOMZBBRYSA-N 0 0 368.861 2.997 10 0 FFAERN C[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)[C@@H]1CCCO1 ZINC000046219242 728015155 /nfs/dbraw/zinc/01/51/55/728015155.db2.gz YQTNMGCKWIODOR-WBMJQRKESA-N 0 0 356.451 2.844 10 0 FFAERN COc1cc(F)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000048840775 728057359 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O=C(c1nc2ccccc2c(=O)[nH]1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000103502538 250157171 /nfs/dbraw/zinc/15/71/71/250157171.db2.gz BUEIBLVDILYDHF-MRXNPFEDSA-N 0 0 369.808 2.790 10 0 FFAERN Cc1nc(-c2cccc(NC(=O)NC[C@@H](O)Cc3ccccc3)c2)no1 ZINC000105020007 250194988 /nfs/dbraw/zinc/19/49/88/250194988.db2.gz SWNSDVNMDAXSFJ-KRWDZBQOSA-N 0 0 352.394 2.770 10 0 FFAERN Cc1nnc([C@@H](NC(=O)CCCNC(=O)OC(C)(C)C)c2ccccc2)[nH]1 ZINC000104403815 250176875 /nfs/dbraw/zinc/17/68/75/250176875.db2.gz NDOAFGCENOQRFX-INIZCTEOSA-N 0 0 373.457 2.624 10 0 FFAERN COc1ccc([C@@H](C)NC(=O)N2CCC(N3CCCC3=O)CC2)cc1F ZINC000105090374 250199811 /nfs/dbraw/zinc/19/98/11/250199811.db2.gz BMUXXSHTULYTDF-CYBMUJFWSA-N 0 0 363.433 2.692 10 0 FFAERN CC(=O)N1CCC(CNC(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000105092657 250199831 /nfs/dbraw/zinc/19/98/31/250199831.db2.gz WIUGVXXBEAFWAY-LJQANCHMSA-N 0 0 355.438 2.927 10 0 FFAERN COc1ccccc1-c1nc(C[S@](=O)CC(=O)NC(C)(C)C)cs1 ZINC000105665675 250219068 /nfs/dbraw/zinc/21/90/68/250219068.db2.gz 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/nfs/dbraw/zinc/84/60/11/507846011.db2.gz KMFBJQJDTJUPOQ-UHFFFAOYSA-N 0 0 371.481 2.667 10 0 FFAERN Cc1[nH]c2c(cccc2C(=O)N2CCC(c3ccnn3CCO)CC2)c1C ZINC000089543015 507846059 /nfs/dbraw/zinc/84/60/59/507846059.db2.gz NIVNQMJLAAFBFG-UHFFFAOYSA-N 0 0 366.465 2.993 10 0 FFAERN CCc1c(C(=O)N2CCC(c3nncn3CC)CC2)[nH]c(C)c1C(C)=O ZINC000107351807 507846090 /nfs/dbraw/zinc/84/60/90/507846090.db2.gz KOWCMPQJUQFQJW-UHFFFAOYSA-N 0 0 357.458 2.719 10 0 FFAERN O=C([C@@H]1SCCc2ccccc21)N1CCC(c2ccnn2CCO)CC1 ZINC000089543691 507846233 /nfs/dbraw/zinc/84/62/33/507846233.db2.gz TWEQBCYTZRKXOA-LJQANCHMSA-N 0 0 371.506 2.612 10 0 FFAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000072819571 507857475 /nfs/dbraw/zinc/85/74/75/507857475.db2.gz HCOXEQLCUNVQNJ-YJYMSZOUSA-N 0 0 365.433 2.964 10 0 FFAERN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCc2nc3ccccc3[nH]2)CC1=O ZINC000078304144 507857812 /nfs/dbraw/zinc/85/78/12/507857812.db2.gz PHHBUMATQVYYQA-HOCLYGCPSA-N 0 0 362.433 2.789 10 0 FFAERN CCCOc1ccc(CNC(=O)[C@H](C)NC(=O)Nc2ccccc2)cn1 ZINC000107619529 507860013 /nfs/dbraw/zinc/86/00/13/507860013.db2.gz NEQIQDMDTXLLHS-AWEZNQCLSA-N 0 0 356.426 2.697 10 0 FFAERN COCc1cccc(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 ZINC000107649342 507861600 /nfs/dbraw/zinc/86/16/00/507861600.db2.gz VYRJCGGGESJMHA-QGZVFWFLSA-N 0 0 356.447 2.952 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCCOCc1ccc(OC)cc1 ZINC000089775944 507864806 /nfs/dbraw/zinc/86/48/06/507864806.db2.gz UFMTVXWDXFXWSJ-QGZVFWFLSA-N 0 0 372.469 2.797 10 0 FFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC000089790922 507866957 /nfs/dbraw/zinc/86/69/57/507866957.db2.gz JRKXWNKXRMQCJS-CHWSQXEVSA-N 0 0 351.472 2.516 10 0 FFAERN COc1ccc(COCCCC(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000089831056 507871806 /nfs/dbraw/zinc/87/18/06/507871806.db2.gz KCRAHHAAQURTDN-SFHVURJKSA-N 0 0 372.469 2.522 10 0 FFAERN C[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)[C@H]1CO ZINC000089854251 507875024 /nfs/dbraw/zinc/87/50/24/507875024.db2.gz FZFGGTKGNQBGHL-DYVFJYSZSA-N 0 0 367.877 2.801 10 0 FFAERN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CCC[C@@H](C)[C@H]1CO ZINC000089857038 507875820 /nfs/dbraw/zinc/87/58/20/507875820.db2.gz WJAAUUKCPJICDP-RHSMWYFYSA-N 0 0 359.470 2.856 10 0 FFAERN O=C(N[C@@H]1CCN(c2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000078545871 507881691 /nfs/dbraw/zinc/88/16/91/507881691.db2.gz RKWUZIVTVVMCIK-HXUWFJFHSA-N 0 0 364.493 2.793 10 0 FFAERN Cn1nc(CC(C)(C)C)cc1NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000108246999 507882823 /nfs/dbraw/zinc/88/28/23/507882823.db2.gz YFTKADUBODSFSZ-UHFFFAOYSA-N 0 0 373.848 2.890 10 0 FFAERN COC(=O)[C@@H]1CCCCN1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000073022751 507885777 /nfs/dbraw/zinc/88/57/77/507885777.db2.gz LHDYMPDRDSJYDB-JSGCOSHPSA-N 0 0 362.253 2.761 10 0 FFAERN CCc1cccc(CC)c1NC(=O)C[S@](=O)Cc1nc(C2CC2)no1 ZINC000108482999 507897977 /nfs/dbraw/zinc/89/79/77/507897977.db2.gz YWEYQDPNDXBWCE-RUZDIDTESA-N 0 0 361.467 2.959 10 0 FFAERN Cc1nc(C)c(CCNC(=O)NCC[C@@H]2c3ccccc3NC2=O)s1 ZINC000108542594 507902797 /nfs/dbraw/zinc/90/27/97/507902797.db2.gz YADHWSVIDKURJF-CQSZACIVSA-N 0 0 358.467 2.728 10 0 FFAERN CO[C@]1(C)C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)C1(C)C ZINC000073270112 507910199 /nfs/dbraw/zinc/91/01/99/507910199.db2.gz KLQHZEBGPIOFRS-WPKBUWHJSA-N 0 0 350.484 2.673 10 0 FFAERN NC(=O)c1cn(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)nc1-c1ccccc1 ZINC000108665635 507910934 /nfs/dbraw/zinc/91/09/34/507910934.db2.gz CCOAHNWYMDXRCH-MAUKXSAKSA-N 0 0 366.465 2.830 10 0 FFAERN C[C@H]1CN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)C[C@H](C)O1 ZINC000108763256 507917124 /nfs/dbraw/zinc/91/71/24/507917124.db2.gz HCGLIKVVYQJLBD-HOTGVXAUSA-N 0 0 373.474 2.910 10 0 FFAERN Cc1c(C(=O)NCc2ccnn2C)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000108774279 507917467 /nfs/dbraw/zinc/91/74/67/507917467.db2.gz LRRFATAWPJECEZ-UHFFFAOYSA-N 0 0 372.432 2.906 10 0 FFAERN CC(C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000078989693 507922974 /nfs/dbraw/zinc/92/29/74/507922974.db2.gz RPMUGSRLFKYFSL-QAPCUYQASA-N 0 0 362.470 2.717 10 0 FFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCn1cnc2ccccc21 ZINC000073473232 507923421 /nfs/dbraw/zinc/92/34/21/507923421.db2.gz DIVWCKXDTLMEIY-HFTRVMKXSA-N 0 0 355.438 2.759 10 0 FFAERN CCOC(=O)c1cnc2ccccc2c1N1CCO[C@H](Cn2cccn2)C1 ZINC000108949544 507927446 /nfs/dbraw/zinc/92/74/46/507927446.db2.gz LWLNHVIZWWAXCL-HNNXBMFYSA-N 0 0 366.421 2.513 10 0 FFAERN CCOC(=O)c1cnc2ccccc2c1N[C@@H]1CCc2nc(CC)nn2C1 ZINC000108948589 507927663 /nfs/dbraw/zinc/92/76/63/507927663.db2.gz UFCCHVVSFSMYER-CYBMUJFWSA-N 0 0 365.437 2.992 10 0 FFAERN COc1ccc2cc(CNC(=O)N3CCC[C@H](NC(C)=O)C3)ccc2c1 ZINC000079053858 507928532 /nfs/dbraw/zinc/92/85/32/507928532.db2.gz MHPJPINBKQRJPU-SFHVURJKSA-N 0 0 355.438 2.659 10 0 FFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1OCC(C)C ZINC000079122949 507935074 /nfs/dbraw/zinc/93/50/74/507935074.db2.gz RAVFETQSOXGTPK-INIZCTEOSA-N 0 0 368.499 2.864 10 0 FFAERN O=C(CNC(=O)c1ccc(Oc2cccnc2)cc1)NCc1ccco1 ZINC000109075757 507936468 /nfs/dbraw/zinc/93/64/68/507936468.db2.gz WRNWBXAXTCVTTH-UHFFFAOYSA-N 0 0 351.362 2.513 10 0 FFAERN Cc1cc(CN2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)no1 ZINC000109080845 507937356 /nfs/dbraw/zinc/93/73/56/507937356.db2.gz YXSYQTWKXPAABJ-JKSUJKDBSA-N 0 0 361.392 2.709 10 0 FFAERN CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109085321 507937674 /nfs/dbraw/zinc/93/76/74/507937674.db2.gz AWHMDVNJVRWDNI-ZIAGYGMSSA-N 0 0 350.409 2.785 10 0 FFAERN O=C(NCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000109092255 507938373 /nfs/dbraw/zinc/93/83/73/507938373.db2.gz NEYOYGHKUWWIPK-HUUCEWRRSA-N 0 0 362.351 2.754 10 0 FFAERN CCCCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000109099432 507938811 /nfs/dbraw/zinc/93/88/11/507938811.db2.gz JRYHIBDZNYFEID-RBSFLKMASA-N 0 0 371.449 2.884 10 0 FFAERN Cc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)nn1 ZINC000109124815 507941242 /nfs/dbraw/zinc/94/12/42/507941242.db2.gz KVSLGDHGTSDSNX-HZPDHXFCSA-N 0 0 372.419 2.906 10 0 FFAERN Cc1ccc(CNC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)cc1F ZINC000109137373 507941698 /nfs/dbraw/zinc/94/16/98/507941698.db2.gz WHLUWIWVMFSMKY-GOSISDBHSA-N 0 0 357.429 2.633 10 0 FFAERN Cc1csc([C@@H](C)NC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)n1 ZINC000109173135 507944796 /nfs/dbraw/zinc/94/47/96/507944796.db2.gz SRQNOLPPJHZGLT-HIFRSBDPSA-N 0 0 360.483 2.511 10 0 FFAERN CCc1cccc2c(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)c[nH]c21 ZINC000109245607 507949783 /nfs/dbraw/zinc/94/97/83/507949783.db2.gz IYAZOAZYKLPWSM-UHFFFAOYSA-N 0 0 357.435 2.559 10 0 FFAERN Cc1nc(CN2CCC(C(=O)N3CCC[C@H]3c3cnn(C)c3)CC2)cs1 ZINC000109276937 507951785 /nfs/dbraw/zinc/95/17/85/507951785.db2.gz AVLHHQITRQGDPY-SFHVURJKSA-N 0 0 373.526 2.761 10 0 FFAERN COc1ccc(Cn2cc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)cn2)cc1 ZINC000109276931 507951821 /nfs/dbraw/zinc/95/18/21/507951821.db2.gz DTBWCSPQULEDQN-LJQANCHMSA-N 0 0 365.437 2.651 10 0 FFAERN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[C@@H](O)c3ccccc3)CC2)C1 ZINC000091094673 507954567 /nfs/dbraw/zinc/95/45/67/507954567.db2.gz GKNQEOOZTCEQNW-VQIMIIECSA-N 0 0 358.482 2.607 10 0 FFAERN COc1cc(OC)c(OC)cc1CN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000109326351 507955502 /nfs/dbraw/zinc/95/55/02/507955502.db2.gz NFJVMHHVWXNEIE-KRWDZBQOSA-N 0 0 370.449 2.950 10 0 FFAERN NC(=O)c1ccc(Cl)cc1OCC(=O)NCCc1ccc(Cl)cc1 ZINC000109369262 507958080 /nfs/dbraw/zinc/95/80/80/507958080.db2.gz NZUIFQMUCYTRHM-UHFFFAOYSA-N 0 0 367.232 2.830 10 0 FFAERN CSc1ccc(N2C[C@@H](c3nc(Cc4noc(C)n4)no3)CC2=O)cc1 ZINC000109514035 507966667 /nfs/dbraw/zinc/96/66/67/507966667.db2.gz FDZMDZZQWLODBS-NSHDSACASA-N 0 0 371.422 2.594 10 0 FFAERN COc1ccc(-c2noc(CNC(=O)CCc3ccc(C)cc3)n2)cn1 ZINC000109587892 507970339 /nfs/dbraw/zinc/97/03/39/507970339.db2.gz GWSAUNLQPNXFPP-UHFFFAOYSA-N 0 0 352.394 2.698 10 0 FFAERN Cc1ccc(C(=O)CCC(=O)N2CCCN(c3cccnn3)CC2)s1 ZINC000109630025 507973199 /nfs/dbraw/zinc/97/31/99/507973199.db2.gz XZJNGYNNBUPINF-UHFFFAOYSA-N 0 0 358.467 2.548 10 0 FFAERN Cc1ccc(N2CCCN(C(=O)c3nc(Cl)ccc3Cl)CC2)nn1 ZINC000109636145 507973841 /nfs/dbraw/zinc/97/38/41/507973841.db2.gz MYAIBMQJXNGGIX-UHFFFAOYSA-N 0 0 366.252 2.839 10 0 FFAERN O=C(c1coc(Br)c1)N1CCC(Nc2cccnn2)CC1 ZINC000109638219 507974088 /nfs/dbraw/zinc/97/40/88/507974088.db2.gz UYIALOLZCHNRKP-UHFFFAOYSA-N 0 0 351.204 2.549 10 0 FFAERN COc1ccc(OCCCC(=O)N2CCC(Nc3cccnn3)CC2)cc1 ZINC000109638074 507974140 /nfs/dbraw/zinc/97/41/40/507974140.db2.gz ASZHQJZZKIKEQN-UHFFFAOYSA-N 0 0 370.453 2.747 10 0 FFAERN Cc1cccc(C)c1OCC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000109640467 507974477 /nfs/dbraw/zinc/97/44/77/507974477.db2.gz GCIZJERBFYCEQJ-UHFFFAOYSA-N 0 0 354.454 2.600 10 0 FFAERN O=C(CCCOc1ccc(F)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000109639717 507974496 /nfs/dbraw/zinc/97/44/96/507974496.db2.gz LCAGXBBFFVCPRX-UHFFFAOYSA-N 0 0 358.417 2.878 10 0 FFAERN O=C(Nc1cccnc1Cl)C(=O)NC1CCN(c2cccs2)CC1 ZINC000091246950 507974982 /nfs/dbraw/zinc/97/49/82/507974982.db2.gz QUBDRYODFAGDPJ-UHFFFAOYSA-N 0 0 364.858 2.520 10 0 FFAERN CN(c1cccnn1)C1CCN(C(=O)c2cnc(C(C)(C)C)s2)CC1 ZINC000109643723 507975178 /nfs/dbraw/zinc/97/51/78/507975178.db2.gz OTEFLQGRDIKRLK-UHFFFAOYSA-N 0 0 359.499 2.972 10 0 FFAERN C[C@H](SCc1ccccc1)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000109655764 507976323 /nfs/dbraw/zinc/97/63/23/507976323.db2.gz DYNVBIQBYTUCMB-KRWDZBQOSA-N 0 0 372.538 2.776 10 0 FFAERN CCn1cc(CN2CCCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cn1 ZINC000109661190 507977096 /nfs/dbraw/zinc/97/70/96/507977096.db2.gz FYZMTPLDNUULSD-UHFFFAOYSA-N 0 0 365.481 2.661 10 0 FFAERN CCO[C@H](C(=O)N1CCCN(Cc2cnn(CC)c2)CC1)c1ccccc1 ZINC000109660604 507977235 /nfs/dbraw/zinc/97/72/35/507977235.db2.gz PUQMNLQWLDFAQY-FQEVSTJZSA-N 0 0 370.497 2.715 10 0 FFAERN CCn1cc(CN2CCCN(C(=O)[C@H](C)Oc3cccc(C)c3)CC2)cn1 ZINC000109661562 507977349 /nfs/dbraw/zinc/97/73/49/507977349.db2.gz SYPVMKIKMLAETA-SFHVURJKSA-N 0 0 370.497 2.713 10 0 FFAERN CCCn1cc(CN2CCCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cn1 ZINC000109664773 507978151 /nfs/dbraw/zinc/97/81/51/507978151.db2.gz WGOBTTVDDIQEDM-SFHVURJKSA-N 0 0 370.497 2.795 10 0 FFAERN CCCn1cc(CN2CCCN(C(=O)Cc3ccccc3F)CC2)cn1 ZINC000109665817 507978382 /nfs/dbraw/zinc/97/83/82/507978382.db2.gz UBKUKWAFVREIHA-UHFFFAOYSA-N 0 0 358.461 2.709 10 0 FFAERN CCCn1cc(CN2CCCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)cn1 ZINC000109664515 507978505 /nfs/dbraw/zinc/97/85/05/507978505.db2.gz AMQNPQOGTDSPTO-UHFFFAOYSA-N 0 0 372.517 2.593 10 0 FFAERN CCc1nccn1[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC000109675671 507979947 /nfs/dbraw/zinc/97/99/47/507979947.db2.gz SXUOUKRLDIIJGF-INIZCTEOSA-N 0 0 350.426 2.504 10 0 FFAERN CCc1nccn1[C@H]1CCCN(C(=O)C[C@H](NC(C)=O)c2ccccc2)C1 ZINC000109677258 507980110 /nfs/dbraw/zinc/98/01/10/507980110.db2.gz WJQGOFSRLLZELB-OALUTQOASA-N 0 0 368.481 2.877 10 0 FFAERN COc1ccc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)c(OC)c1OC ZINC000109680439 507980430 /nfs/dbraw/zinc/98/04/30/507980430.db2.gz MHTPRENDIUESBJ-CQSZACIVSA-N 0 0 359.426 2.695 10 0 FFAERN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CS4)C2)c1 ZINC000109687380 507981015 /nfs/dbraw/zinc/98/10/15/507981015.db2.gz DAXPBSABJHGIHB-CQSZACIVSA-N 0 0 356.451 2.713 10 0 FFAERN COc1ccc(N(C(=O)C[C@@H]2CCS(=O)(=O)C2)[C@@H](C)C2CC2)cc1 ZINC000109750274 507984314 /nfs/dbraw/zinc/98/43/14/507984314.db2.gz NSMHSMIKVPXMOY-KBPBESRZSA-N 0 0 351.468 2.652 10 0 FFAERN O=S1(=O)CC[C@H](N(Cc2coc(-c3ccc(F)cc3)n2)C2CC2)C1 ZINC000109767217 507985791 /nfs/dbraw/zinc/98/57/91/507985791.db2.gz HZHOFYHBUUCHLS-INIZCTEOSA-N 0 0 350.415 2.632 10 0 FFAERN CN(C)C(=O)c1cccc(CN(C)[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000109814190 507989321 /nfs/dbraw/zinc/98/93/21/507989321.db2.gz PTMXZJHNDIIQAN-IBGZPJMESA-N 0 0 351.450 2.626 10 0 FFAERN O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000109864078 507993283 /nfs/dbraw/zinc/99/32/83/507993283.db2.gz VTMBKUOTEZICMN-INIZCTEOSA-N 0 0 362.437 2.819 10 0 FFAERN Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000109863206 507993556 /nfs/dbraw/zinc/99/35/56/507993556.db2.gz QXYDMUYDYBVWFY-GFCCVEGCSA-N 0 0 363.849 2.902 10 0 FFAERN 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513038120 /nfs/dbraw/zinc/03/81/20/513038120.db2.gz ZMECPSIJLJNOBK-QUBYGPBYSA-N 0 0 372.643 2.697 10 0 FFAERN O=C(c1ccccc1I)N1CCCC[C@@H](CO)C1 ZINC000370672047 513045618 /nfs/dbraw/zinc/04/56/18/513045618.db2.gz AVTKTXFKLHWNFJ-LLVKDONJSA-N 0 0 359.207 2.526 10 0 FFAERN Cc1csc2nc(C)nc(N[C@@H]3CCCC[C@@H]3NS(C)(=O)=O)c12 ZINC000408383651 513055571 /nfs/dbraw/zinc/05/55/71/513055571.db2.gz DIVFNWFAZFDXTR-NEPJUHHUSA-N 0 0 354.501 2.580 10 0 FFAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)Nc2c(C)c(C)ccc2Cl)n1 ZINC000408400484 513059540 /nfs/dbraw/zinc/05/95/40/513059540.db2.gz SOMCMSSGRLXBBT-DGCLKSJQSA-N 0 0 350.806 2.988 10 0 FFAERN COc1cc(C)cc(C)c1S(=O)(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000408403629 513060589 /nfs/dbraw/zinc/06/05/89/513060589.db2.gz VWOVSKJQHQZOSU-GJZGRUSLSA-N 0 0 355.500 2.730 10 0 FFAERN CC1(C)Cc2ccc(C(=O)N3CCC[C@](O)(C(F)(F)F)C3)c(O)c2O1 ZINC000408410437 513061873 /nfs/dbraw/zinc/06/18/73/513061873.db2.gz QMAFXWDTXQCGIW-MRXNPFEDSA-N 0 0 359.344 2.635 10 0 FFAERN 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COC(=O)c1c(C)nc(C)c2c1ccn(-c1ccc3c(c1)OCCO3)c2=O ZINC000072452142 221535571 /nfs/dbraw/zinc/53/55/71/221535571.db2.gz CDMMJVKIKCLKFC-UHFFFAOYSA-N 0 0 366.373 2.560 10 0 FFAERN O=S(=O)(c1ccccc1)n1ccc2c1ncc(C1OCCO1)c2Cl ZINC000095936966 221973154 /nfs/dbraw/zinc/97/31/54/221973154.db2.gz HJVQOLRMZIJZON-UHFFFAOYSA-N 0 0 364.810 2.972 10 0 FFAERN COc1ccccc1/C=C/C(=O)N(C)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000370937016 512142875 /nfs/dbraw/zinc/14/28/75/512142875.db2.gz RHBGAEJQXFSVRZ-PCUGXKRQSA-N 0 0 357.431 2.695 10 0 FFAERN Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCCc2n[nH]cc21 ZINC000408206309 513020272 /nfs/dbraw/zinc/02/02/72/513020272.db2.gz NUNXMSOFWQIWSU-UHFFFAOYSA-N 0 0 370.272 2.931 10 0 FFAERN Cn1cc([C@H]2CCCN2C(=O)Nc2cccnc2Br)cn1 ZINC000119736354 508852963 /nfs/dbraw/zinc/85/29/63/508852963.db2.gz YMSCTVBUKDCGDV-GFCCVEGCSA-N 0 0 350.220 2.947 10 0 FFAERN O=C(NCc1ccco1)C1CCN(c2cnc(N3CCCCC3)nc2)CC1 ZINC000065166524 506265864 /nfs/dbraw/zinc/26/58/64/506265864.db2.gz QCJVEVLSQWNIOE-UHFFFAOYSA-N 0 0 369.469 2.593 10 0 FFAERN CN1c2ccc(NC(=O)[C@@H]3CCOC3)cc2Sc2ncccc2C1=O ZINC000065258352 506277536 /nfs/dbraw/zinc/27/75/36/506277536.db2.gz CJGGVZLMBZWCME-LLVKDONJSA-N 0 0 355.419 2.798 10 0 FFAERN CCc1noc(-c2cccnc2N2CCCN(C(=O)c3ccco3)CC2)n1 ZINC000065257995 506277661 /nfs/dbraw/zinc/27/76/61/506277661.db2.gz DSSOJSAVRLECKK-UHFFFAOYSA-N 0 0 367.409 2.640 10 0 FFAERN Cc1ccc(CCNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000065572934 506326006 /nfs/dbraw/zinc/32/60/06/506326006.db2.gz ZNAWZVDDKXEIMI-HNNXBMFYSA-N 0 0 350.418 2.647 10 0 FFAERN COCCn1c(CCCC(=O)NCc2ccccc2)nc2cccnc21 ZINC000033048060 506329922 /nfs/dbraw/zinc/32/99/22/506329922.db2.gz OMLKAPQEJKNGCW-UHFFFAOYSA-N 0 0 352.438 2.717 10 0 FFAERN CCCn1c(=O)[nH]nc1SCC(=O)c1ccc(Br)cc1 ZINC000003534893 506341185 /nfs/dbraw/zinc/34/11/85/506341185.db2.gz XFUKJYAXUFVPKQ-UHFFFAOYSA-N 0 0 356.245 2.719 10 0 FFAERN O=C(NCC1CCCCC1)c1[nH]nc2c1CN(C(=O)c1ccco1)CC2 ZINC000034831711 506372180 /nfs/dbraw/zinc/37/21/80/506372180.db2.gz SQBCECVEPAUBOZ-UHFFFAOYSA-N 0 0 356.426 2.511 10 0 FFAERN CC(C)(CO)NC(=O)c1cc(Br)c(Br)s1 ZINC000035103265 506376131 /nfs/dbraw/zinc/37/61/31/506376131.db2.gz LUPBFDMJAONYGN-UHFFFAOYSA-N 0 0 357.067 2.774 10 0 FFAERN CC(C)(C)OC(=O)N1C[C@]2(CCCN2C(=O)OCc2ccccc2)C1=O ZINC000035051993 506376723 /nfs/dbraw/zinc/37/67/23/506376723.db2.gz RQVCVDKUQLKQMR-LJQANCHMSA-N 0 0 360.410 2.935 10 0 FFAERN COc1ccc([C@@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1OC ZINC000039030837 506447693 /nfs/dbraw/zinc/44/76/93/506447693.db2.gz IERYQJAQKXHDEJ-INIZCTEOSA-N 0 0 364.394 2.820 10 0 FFAERN CC(C)CC(=O)N[C@@H](C(=O)OCc1nnc(-c2ccccc2)o1)C(C)C ZINC000053934615 506463392 /nfs/dbraw/zinc/46/33/92/506463392.db2.gz QVOZCOZLIZLOFN-QGZVFWFLSA-N 0 0 359.426 2.967 10 0 FFAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCc1ccccc1O ZINC000054096086 506490717 /nfs/dbraw/zinc/49/07/17/506490717.db2.gz AOGDQYMOZFVBBT-KXBFYZLASA-N 0 0 354.450 2.896 10 0 FFAERN COC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(C)cc1C)c1ccccc1 ZINC000041172880 506496299 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508220037 /nfs/dbraw/zinc/22/00/37/508220037.db2.gz YWBQDIIKHUDODQ-CYBMUJFWSA-N 0 0 351.410 2.998 10 0 FFAERN CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCC[C@H](NC(=O)CCC)C1 ZINC000101563969 508247291 /nfs/dbraw/zinc/24/72/91/508247291.db2.gz OFQRYNHXLGADAS-HOTGVXAUSA-N 0 0 364.490 2.861 10 0 FFAERN O=S(=O)(c1cccc(F)c1F)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000101571245 508247651 /nfs/dbraw/zinc/24/76/51/508247651.db2.gz RTOLXQCWSVCHDV-VXGBXAGGSA-N 0 0 363.451 2.640 10 0 FFAERN C[C@@H]1CN(S(=O)(=O)N(C)CCc2cccc3ccccc32)C[C@@H](C)O1 ZINC000101577987 508248449 /nfs/dbraw/zinc/24/84/49/508248449.db2.gz KXSSRQVDPVNMLE-HZPDHXFCSA-N 0 0 362.495 2.668 10 0 FFAERN CCOc1cc(C)nc(N2CCN(C(=O)c3coc4ccccc34)CC2)n1 ZINC000113173843 508248836 /nfs/dbraw/zinc/24/88/36/508248836.db2.gz QXHRCRXTTFKPBO-UHFFFAOYSA-N 0 0 366.421 2.892 10 0 FFAERN CCc1csc([C@@H]2CCCN(C(=O)CCCN(C)C(=O)OC)C2)n1 ZINC000113204570 508250546 /nfs/dbraw/zinc/25/05/46/508250546.db2.gz HAZHHMJXSXCSIA-CYBMUJFWSA-N 0 0 353.488 2.890 10 0 FFAERN COc1ccc(C2(CNC(=O)NCc3cscn3)CCOCC2)cc1 ZINC000101609285 508250708 /nfs/dbraw/zinc/25/07/08/508250708.db2.gz VJYDVSZOQYSBNT-UHFFFAOYSA-N 0 0 361.467 2.699 10 0 FFAERN CCc1csc([C@@H]2CCCN(C(=O)CCS(=O)(=O)CC(C)C)C2)n1 ZINC000113206000 508250913 /nfs/dbraw/zinc/25/09/13/508250913.db2.gz JOUPWCMMSWLICY-CQSZACIVSA-N 0 0 372.556 2.872 10 0 FFAERN C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H](Cc2ccccc2)NC(N)=O)C1 ZINC000113214656 508251602 /nfs/dbraw/zinc/25/16/02/508251602.db2.gz WTFNKLLYTOMBRW-DENIHFKCSA-N 0 0 365.477 2.846 10 0 FFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000083692974 508251748 /nfs/dbraw/zinc/25/17/48/508251748.db2.gz JGVQPBWJYXGOKL-ZDUSSCGKSA-N 0 0 353.348 2.940 10 0 FFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](Nc1ccccc1)C(C)C ZINC000083698098 508252246 /nfs/dbraw/zinc/25/22/46/508252246.db2.gz NMBKYANGKPIMRS-IAGOWNOFSA-N 0 0 356.474 2.857 10 0 FFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](Nc1ccccc1)C(C)C ZINC000083698088 508252326 /nfs/dbraw/zinc/25/23/26/508252326.db2.gz NMBKYANGKPIMRS-IRXDYDNUSA-N 0 0 356.474 2.857 10 0 FFAERN CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219764 508252491 /nfs/dbraw/zinc/25/24/91/508252491.db2.gz IGUBTZPADAXNPC-MRXNPFEDSA-N 0 0 368.481 2.945 10 0 FFAERN C[C@]1(C(=O)NC[C@@H](O)COc2ccc(F)cc2)CCCc2ccccc21 ZINC000101655568 508252832 /nfs/dbraw/zinc/25/28/32/508252832.db2.gz XGDSVHFNULUZJN-UTKZUKDTSA-N 0 0 357.425 2.976 10 0 FFAERN COc1ccc(C(C)(C)CNC(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000083715671 508253499 /nfs/dbraw/zinc/25/34/99/508253499.db2.gz LTSJMDGZQZYAHO-MRXNPFEDSA-N 0 0 357.458 2.707 10 0 FFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000083720491 508254022 /nfs/dbraw/zinc/25/40/22/508254022.db2.gz RSMZMGIUAANDQQ-GFCCVEGCSA-N 0 0 362.503 2.717 10 0 FFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCc1c[nH]c2ccccc12 ZINC000083721292 508254226 /nfs/dbraw/zinc/25/42/26/508254226.db2.gz FCFMMBGLCAJSAJ-KRWDZBQOSA-N 0 0 352.442 2.835 10 0 FFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000083736290 508255159 /nfs/dbraw/zinc/25/51/59/508255159.db2.gz JEPMWWKOSMIYBQ-DYVFJYSZSA-N 0 0 365.441 2.668 10 0 FFAERN CC(C)c1nc2c(n1C)CCN(S(=O)(=O)c1cccc(F)c1F)C2 ZINC000113299326 508259291 /nfs/dbraw/zinc/25/92/91/508259291.db2.gz ZVSFLMKGEWIZLO-UHFFFAOYSA-N 0 0 355.410 2.569 10 0 FFAERN O=S(=O)(CCCF)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000083994554 508262490 /nfs/dbraw/zinc/26/24/90/508262490.db2.gz SNLQLPALUCTLAN-OAHLLOKOSA-N 0 0 351.447 2.946 10 0 FFAERN COc1cccc(CNC(=O)NCC2(c3ccc(F)cc3)CCOCC2)n1 ZINC000101993864 508263482 /nfs/dbraw/zinc/26/34/82/508263482.db2.gz MFUZTGKFKHAURD-UHFFFAOYSA-N 0 0 373.428 2.777 10 0 FFAERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(=O)CCC1CCCC1 ZINC000102324453 508271652 /nfs/dbraw/zinc/27/16/52/508271652.db2.gz PSJWITKEXADTLJ-UHFFFAOYSA-N 0 0 368.481 2.917 10 0 FFAERN CCOc1cc(C)nc(N2CCN(C(=O)N[C@H](C)c3ccccc3)CC2)n1 ZINC000113576426 508273475 /nfs/dbraw/zinc/27/34/75/508273475.db2.gz LEEHXLKTGVMZKS-MRXNPFEDSA-N 0 0 369.469 2.777 10 0 FFAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)C1 ZINC000102566575 508277828 /nfs/dbraw/zinc/27/78/28/508277828.db2.gz LROLGLIHEGKCCW-QGZVFWFLSA-N 0 0 370.453 2.503 10 0 FFAERN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC[C@@H]1CCCC[C@@H]1O ZINC000077162352 508282114 /nfs/dbraw/zinc/28/21/14/508282114.db2.gz DXAYQSKBVWVEPJ-ZFWWWQNUSA-N 0 0 363.845 2.990 10 0 FFAERN O=C(NCc1cnn(-c2ccccc2)c1)C(=O)Nc1cc(F)ccc1Cl ZINC000102811660 508285353 /nfs/dbraw/zinc/28/53/53/508285353.db2.gz WEYMRAWOMDWMIE-UHFFFAOYSA-N 0 0 372.787 2.920 10 0 FFAERN CCc1csc([C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1 ZINC000113944924 508287071 /nfs/dbraw/zinc/28/70/71/508287071.db2.gz GFNOXCNOYDYGOM-LBPRGKRZSA-N 0 0 355.485 2.879 10 0 FFAERN O=C(CCOc1cccc(Br)c1)NC[C@H]1CCCC[C@H]1O ZINC000077205394 508287894 /nfs/dbraw/zinc/28/78/94/508287894.db2.gz XARCUUOOSXKBKI-IUODEOHRSA-N 0 0 356.260 2.885 10 0 FFAERN CN(C[C@@H]1CCCO1)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000102897465 508288608 /nfs/dbraw/zinc/28/86/08/508288608.db2.gz VSHKJQVODKOCBI-IBGZPJMESA-N 0 0 368.433 2.846 10 0 FFAERN CCCOc1cn(-c2ccccc2)nc1C(=O)N1CCCC[C@H]1C(=O)OC ZINC000102982954 508291473 /nfs/dbraw/zinc/29/14/73/508291473.db2.gz YZLDOUHBINFDLC-INIZCTEOSA-N 0 0 371.437 2.829 10 0 FFAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000114041822 508291567 /nfs/dbraw/zinc/29/15/67/508291567.db2.gz CVZFVDLDNPPQCY-NSHDSACASA-N 0 0 371.824 2.993 10 0 FFAERN CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(Br)n2)cc1 ZINC000114085665 508293660 /nfs/dbraw/zinc/29/36/60/508293660.db2.gz ZKPLODYBGDYPHR-UHFFFAOYSA-N 0 0 356.245 2.670 10 0 FFAERN Cc1ccn2c(c1)ncc(C(=O)NCCc1c[nH]c3cccc(C)c13)c2=O ZINC000103128454 508297643 /nfs/dbraw/zinc/29/76/43/508297643.db2.gz YDQCHMDIMKREKY-UHFFFAOYSA-N 0 0 360.417 2.765 10 0 FFAERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1cccnc1N1CCOCC1 ZINC000103304091 508306105 /nfs/dbraw/zinc/30/61/05/508306105.db2.gz ZJKICQREMUSCCT-ZWKOTPCHSA-N 0 0 360.502 2.932 10 0 FFAERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000103327513 508308329 /nfs/dbraw/zinc/30/83/29/508308329.db2.gz NGRGURAUVPCFHK-SJORKVTESA-N 0 0 358.486 2.951 10 0 FFAERN COC[C@H](C)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000103389576 508309945 /nfs/dbraw/zinc/30/99/45/508309945.db2.gz JGDMVZLYDRVTLA-LURJTMIESA-N 0 0 355.122 2.790 10 0 FFAERN COC[C@@H](C)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000103389579 508310008 /nfs/dbraw/zinc/31/00/08/508310008.db2.gz JGDMVZLYDRVTLA-ZCFIWIBFSA-N 0 0 355.122 2.790 10 0 FFAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCCC(C)(C)C)CC1 ZINC000103447688 508312609 /nfs/dbraw/zinc/31/26/09/508312609.db2.gz NBUGQAYHJFNAFH-INIZCTEOSA-N 0 0 351.535 2.794 10 0 FFAERN O=C(NCc1cc2ccccc2o1)c1ccc(-n2cnnn2)cc1Cl ZINC000103759755 508321722 /nfs/dbraw/zinc/32/17/22/508321722.db2.gz RYAMXAFAQJDPPT-UHFFFAOYSA-N 0 0 353.769 2.992 10 0 FFAERN C[C@H](Cc1ccccc1F)NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103770822 508322018 /nfs/dbraw/zinc/32/20/18/508322018.db2.gz WCCYCEDDXXWDOW-LLVKDONJSA-N 0 0 359.792 2.816 10 0 FFAERN O=C(NCc1cc(Br)cs1)NC[C@@H](O)Cc1ccccc1 ZINC000103861263 508323179 /nfs/dbraw/zinc/32/31/79/508323179.db2.gz OYRNRLHOYVYVAV-ZDUSSCGKSA-N 0 0 369.284 2.913 10 0 FFAERN COc1ccc(OCCNC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000114584640 508327916 /nfs/dbraw/zinc/32/79/16/508327916.db2.gz WCVZWJSJUGUOHE-GOSISDBHSA-N 0 0 372.469 2.971 10 0 FFAERN C[C@@H](NC(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccccc1Br ZINC000104134193 508329006 /nfs/dbraw/zinc/32/90/06/508329006.db2.gz AFNLOEJFVFMREX-SECBINFHSA-N 0 0 373.206 2.824 10 0 FFAERN CSCC[C@H](C)N(C)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000077548351 508332372 /nfs/dbraw/zinc/33/23/72/508332372.db2.gz PFHLKFQUIGLBST-GXTWGEPZSA-N 0 0 356.513 2.688 10 0 FFAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(C)CCc2ccccc2OC)C1 ZINC000104461218 508335453 /nfs/dbraw/zinc/33/54/53/508335453.db2.gz YGVCRDNBBOCUIT-FUHWJXTLSA-N 0 0 360.498 2.981 10 0 FFAERN COc1cccc(C(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)c1OC ZINC000114686010 508337174 /nfs/dbraw/zinc/33/71/74/508337174.db2.gz MBWYVYHQGKICLQ-MRXNPFEDSA-N 0 0 352.394 2.650 10 0 FFAERN CC(=O)Nc1cc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)ccc1F ZINC000104526701 508337189 /nfs/dbraw/zinc/33/71/89/508337189.db2.gz RFCRPZDGCYUFID-LSDHHAIUSA-N 0 0 366.458 2.911 10 0 FFAERN CC[C@H](NC(=O)NCc1cccnc1-n1ccnc1)c1nc(C)cs1 ZINC000104781252 508346153 /nfs/dbraw/zinc/34/61/53/508346153.db2.gz OJLJHAUBYKTTOJ-AWEZNQCLSA-N 0 0 356.455 2.983 10 0 FFAERN CCn1cnnc1C1CCN(C(=O)c2c[nH]nc2-c2ccccc2F)CC1 ZINC000087317183 508347631 /nfs/dbraw/zinc/34/76/31/508347631.db2.gz PQGUSIKARZRBFT-UHFFFAOYSA-N 0 0 368.416 2.847 10 0 FFAERN COc1ccc([C@@H](C)NC(=O)C(=O)NCCCc2ccccc2)cc1F ZINC000104825076 508348885 /nfs/dbraw/zinc/34/88/85/508348885.db2.gz JZMSUKQUYDKBEV-CQSZACIVSA-N 0 0 358.413 2.761 10 0 FFAERN O=C(NCCCOC[C@@H]1CCCO1)N1CCC[C@@H](c2nccs2)C1 ZINC000114820492 508350357 /nfs/dbraw/zinc/35/03/57/508350357.db2.gz ZWUHBUALPOGUOP-CABCVRRESA-N 0 0 353.488 2.618 10 0 FFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000077703958 508354460 /nfs/dbraw/zinc/35/44/60/508354460.db2.gz HYYBTEUVPWSELF-JSGCOSHPSA-N 0 0 364.446 2.941 10 0 FFAERN O=C(NC[C@H]1CCCC[C@H]1O)Nc1nnc(Cc2ccccc2F)s1 ZINC000077704645 508354828 /nfs/dbraw/zinc/35/48/28/508354828.db2.gz RMUSUDAZDQYELN-TZMCWYRMSA-N 0 0 364.446 2.941 10 0 FFAERN COc1ccccc1CCN(C)C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000104987063 508355616 /nfs/dbraw/zinc/35/56/16/508355616.db2.gz UXSFCODESKNUNK-UHFFFAOYSA-N 0 0 362.451 2.805 10 0 FFAERN COc1ccccc1CCN(C)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000104979438 508355685 /nfs/dbraw/zinc/35/56/85/508355685.db2.gz JGWVOPNOXOSXBP-UHFFFAOYSA-N 0 0 362.451 2.805 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)CC2 ZINC000114870700 508355925 /nfs/dbraw/zinc/35/59/25/508355925.db2.gz OSUBZEHKCKLXGW-CYBMUJFWSA-N 0 0 362.861 2.783 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(OCC(C)C)cc1)CC2 ZINC000114873247 508355971 /nfs/dbraw/zinc/35/59/71/508355971.db2.gz XBTXXGKVCYCIED-INIZCTEOSA-N 0 0 356.470 2.549 10 0 FFAERN 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/nfs/dbraw/zinc/32/22/29/510322229.db2.gz WJHXUTZMRMBLKG-FZKQIMNGSA-N 0 0 358.463 2.566 10 0 FFAERN COc1ccnc(NC2CCN(C(=O)c3ccccc3SC)CC2)n1 ZINC000190744750 510322872 /nfs/dbraw/zinc/32/28/72/510322872.db2.gz KZXUKZOOIXMGGT-UHFFFAOYSA-N 0 0 358.467 2.924 10 0 FFAERN C[C@@H](NC(=O)N1CCO[C@H](c2cccc(F)c2)C1)c1nnc2n1CCCC2 ZINC000177916121 510325037 /nfs/dbraw/zinc/32/50/37/510325037.db2.gz CYTMTZJZLJBFPS-CJNGLKHVSA-N 0 0 373.432 2.598 10 0 FFAERN C[C@H](NC(=O)N1CCc2c(cccc2N2CCOC2=O)C1)c1ccncc1 ZINC000174816108 510326023 /nfs/dbraw/zinc/32/60/23/510326023.db2.gz ZGVFNZKVSVJFGP-AWEZNQCLSA-N 0 0 366.421 2.867 10 0 FFAERN Cc1cc(NC(=O)N2CCC[C@H](n3cncn3)C2)n(Cc2ccccc2)n1 ZINC000174817029 510326162 /nfs/dbraw/zinc/32/61/62/510326162.db2.gz RFGSRIHXFPHQQF-KRWDZBQOSA-N 0 0 365.441 2.700 10 0 FFAERN CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2C[C@@H]2C)sc2c1CCCCC2 ZINC000174830392 510332616 /nfs/dbraw/zinc/33/26/16/510332616.db2.gz WJTWMLJVUDULLV-JQWIXIFHSA-N 0 0 364.467 2.657 10 0 FFAERN COCCOc1cccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000187564409 510333330 /nfs/dbraw/zinc/33/33/30/510333330.db2.gz YRTNYUPEOYQLSI-WMZOPIPTSA-N 0 0 361.463 2.621 10 0 FFAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)ccc1OC(C)C ZINC000174836203 510335408 /nfs/dbraw/zinc/33/54/08/510335408.db2.gz RKFLSKRMJYIIOO-QGZVFWFLSA-N 0 0 370.453 2.818 10 0 FFAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)ccc1OC(C)C ZINC000174836213 510335517 /nfs/dbraw/zinc/33/55/17/510335517.db2.gz RKFLSKRMJYIIOO-KRWDZBQOSA-N 0 0 370.453 2.818 10 0 FFAERN C[C@H]1CN([C@@H](CNC(=O)c2ccnc(F)c2F)c2cccs2)CCO1 ZINC000194380827 510336025 /nfs/dbraw/zinc/33/60/25/510336025.db2.gz XALZUZZBQYHXGL-AAEUAGOBSA-N 0 0 367.421 2.613 10 0 FFAERN C[C@](O)(CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccsc1 ZINC000246169765 510336857 /nfs/dbraw/zinc/33/68/57/510336857.db2.gz CRXFDCGBGKDUFC-ANQUJSFKSA-N 0 0 350.484 2.603 10 0 FFAERN CS(=O)(=O)C1CCC(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000174851262 510342857 /nfs/dbraw/zinc/34/28/57/510342857.db2.gz CUJFGDOJXOVDEO-GMKTYKIGSA-N 0 0 370.437 2.763 10 0 FFAERN O=C(c1ccc2c(c1)OCC(=O)N2)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174852186 510344499 /nfs/dbraw/zinc/34/44/99/510344499.db2.gz NBXMWPAXLJFBPZ-AEFFLSMTSA-N 0 0 366.417 2.746 10 0 FFAERN O=C(NCc1coc(-c2cccs2)n1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000171749454 510345240 /nfs/dbraw/zinc/34/52/40/510345240.db2.gz NFCTZBBMOLQEHM-HOCLYGCPSA-N 0 0 355.419 2.861 10 0 FFAERN O=C(Nc1cccnc1N1CCOCC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171748743 510345341 /nfs/dbraw/zinc/34/53/41/510345341.db2.gz HSSHIGJBAJWRKI-ZIAGYGMSSA-N 0 0 359.376 2.939 10 0 FFAERN Cc1nc(CCNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)sc1C ZINC000187597141 510346379 /nfs/dbraw/zinc/34/63/79/510346379.db2.gz LTORAIWJCKQCKA-GJZGRUSLSA-N 0 0 365.524 2.781 10 0 FFAERN O=C(NCC1(c2ccccc2)CCOCC1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000171754114 510349038 /nfs/dbraw/zinc/34/90/38/510349038.db2.gz NEKPJRYJXCKAEG-VQTJNVASSA-N 0 0 366.461 2.692 10 0 FFAERN O=C(NCc1cc(Br)cs1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000171754244 510349551 /nfs/dbraw/zinc/34/95/51/510349551.db2.gz IZVLGNSVSAEUMB-KGLIPLIRSA-N 0 0 367.268 2.968 10 0 FFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1nc(-c2ccoc2)no1 ZINC000246190897 510349584 /nfs/dbraw/zinc/34/95/84/510349584.db2.gz LWUABBBKFRAYEH-YUELXQCFSA-N 0 0 373.409 2.595 10 0 FFAERN CN(CC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1)C(=O)c1cccs1 ZINC000174860007 510349592 /nfs/dbraw/zinc/34/95/92/510349592.db2.gz LUCVABYWMCOMNU-IAGOWNOFSA-N 0 0 372.490 2.935 10 0 FFAERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)o1 ZINC000194413358 510350018 /nfs/dbraw/zinc/35/00/18/510350018.db2.gz BHOVMRZLSLEHJU-HZPDHXFCSA-N 0 0 357.454 2.999 10 0 FFAERN O=C(c1cccc(N2CCCC2=O)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187602584 510350198 /nfs/dbraw/zinc/35/01/98/510350198.db2.gz ZZIWWNJYXDGEJJ-WMZOPIPTSA-N 0 0 370.474 2.723 10 0 FFAERN O=C(CCc1cccc2c1OCO2)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187608453 510353043 /nfs/dbraw/zinc/35/30/43/510353043.db2.gz JGZWTLOOHAOTJR-HOTGVXAUSA-N 0 0 359.447 2.644 10 0 FFAERN Cc1ccc([C@H](CNC(=O)[C@H]2CC2(Cl)Cl)N2CCOCC2)s1 ZINC000177973994 510353675 /nfs/dbraw/zinc/35/36/75/510353675.db2.gz GUSUYWBNGMAZJZ-NEPJUHHUSA-N 0 0 363.310 2.740 10 0 FFAERN CSc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000177976066 510354345 /nfs/dbraw/zinc/35/43/45/510354345.db2.gz HKTDLKMPWOVDRW-OAHLLOKOSA-N 0 0 358.467 2.543 10 0 FFAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000177977498 510356455 /nfs/dbraw/zinc/35/64/55/510356455.db2.gz BDMFVSGTGLJQHF-CYBMUJFWSA-N 0 0 364.808 2.614 10 0 FFAERN COC(=O)[C@@]1(C)CCCN1C(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000187620077 510357757 /nfs/dbraw/zinc/35/77/57/510357757.db2.gz JPINQDDIWMHGKN-CQSZACIVSA-N 0 0 362.373 2.747 10 0 FFAERN COC[C@@H](C)C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000184501547 510358485 /nfs/dbraw/zinc/35/84/85/510358485.db2.gz IWXDSYIBEHFFAE-QMTHXVAHSA-N 0 0 360.223 2.771 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1c[nH]c3ccc(C)cc13)CC2 ZINC000174874796 510358597 /nfs/dbraw/zinc/35/85/97/510358597.db2.gz DCCIAFKAAQPLOY-HNNXBMFYSA-N 0 0 351.454 2.694 10 0 FFAERN CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccccc2OC)C12CCCC2 ZINC000190818310 510358912 /nfs/dbraw/zinc/35/89/12/510358912.db2.gz XGJRBXAXKKAFAU-DLBZAZTESA-N 0 0 360.454 2.830 10 0 FFAERN COc1cc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1Cl ZINC000194430363 510359616 /nfs/dbraw/zinc/35/96/16/510359616.db2.gz UZXGJMKRFOOJFL-DOMZBBRYSA-N 0 0 353.850 2.533 10 0 FFAERN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2cnn(-c3ncccn3)c2)C12CCCC2 ZINC000174881147 510364091 /nfs/dbraw/zinc/36/40/91/510364091.db2.gz DXPGBJPOYQUCFG-JKSUJKDBSA-N 0 0 370.457 2.864 10 0 FFAERN C[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)[C@H](C)c1ccccc1 ZINC000174883398 510365572 /nfs/dbraw/zinc/36/55/72/510365572.db2.gz VHQCGJPHJHIIGZ-JKSUJKDBSA-N 0 0 353.470 2.937 10 0 FFAERN COc1cccc(-c2noc([C@H](C)NC(=O)N(C)C[C@H]3CCC[C@H]3O)n2)c1 ZINC000246213766 510367860 /nfs/dbraw/zinc/36/78/60/510367860.db2.gz FCZZKGQKIOEDAF-JGGQBBKZSA-N 0 0 374.441 2.609 10 0 FFAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187643067 510368312 /nfs/dbraw/zinc/36/83/12/510368312.db2.gz NAPLDLRNFYIJTI-IWEFOYFVSA-N 0 0 361.511 2.512 10 0 FFAERN CC(C)(C)N1C[C@@H](NC(=O)N2CCCC[C@@H]2c2nccs2)CC1=O ZINC000174888915 510368664 /nfs/dbraw/zinc/36/86/64/510368664.db2.gz LBGRLNAZYMUSRJ-QWHCGFSZSA-N 0 0 350.488 2.779 10 0 FFAERN C/C(=C\C(=O)N1CCCN(Cc2noc(C)n2)CC1)c1ccc(F)cc1 ZINC000171787712 510368717 /nfs/dbraw/zinc/36/87/17/510368717.db2.gz ZKTFCYLULXAKBV-WYMLVPIESA-N 0 0 358.417 2.655 10 0 FFAERN Cc1cnn(CCNC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1 ZINC000174898395 510374026 /nfs/dbraw/zinc/37/40/26/510374026.db2.gz ZDJKJFRMJRSVHM-UHFFFAOYSA-N 0 0 358.833 2.911 10 0 FFAERN CN1C(=O)CC[C@H](C(=O)NCCCOCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000171796918 510375148 /nfs/dbraw/zinc/37/51/48/510375148.db2.gz IVUUIOPCGTYNCA-HOCLYGCPSA-N 0 0 372.387 2.681 10 0 FFAERN CN1C(=O)CC[C@H](C(=O)NCCCOCC(F)(F)F)[C@H]1c1ccccc1 ZINC000171796915 510375281 /nfs/dbraw/zinc/37/52/81/510375281.db2.gz IVUUIOPCGTYNCA-GOEBONIOSA-N 0 0 372.387 2.681 10 0 FFAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@H](C)[C@@H](C)c3ccccc3)CCO2)c1 ZINC000174903293 510377698 /nfs/dbraw/zinc/37/76/98/510377698.db2.gz SAGHWBLFKYSFSG-LMMKCTJWSA-N 0 0 356.470 2.794 10 0 FFAERN CCc1onc(C)c1C(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000187667985 510377856 /nfs/dbraw/zinc/37/78/56/510377856.db2.gz BWQARDJAUYBXOT-AWEZNQCLSA-N 0 0 363.483 2.719 10 0 FFAERN CC(C)COc1cccc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000246229217 510378460 /nfs/dbraw/zinc/37/84/60/510378460.db2.gz WKXBYWPGVQDBKR-RCCFBDPRSA-N 0 0 372.465 2.734 10 0 FFAERN O=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181384829 510384603 /nfs/dbraw/zinc/38/46/03/510384603.db2.gz PBVRCCYMWRSTJF-HNNXBMFYSA-N 0 0 355.373 2.895 10 0 FFAERN Cc1c(C(=O)N2CCC(Nc3cccnn3)CC2)oc2c1C(=O)CCC2 ZINC000171812361 510385874 /nfs/dbraw/zinc/38/58/74/510385874.db2.gz XSXWLEBXZHXJQE-UHFFFAOYSA-N 0 0 354.410 2.614 10 0 FFAERN CCSCc1cc(C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)no1 ZINC000184556557 510387936 /nfs/dbraw/zinc/38/79/36/510387936.db2.gz KSHLVKPLBBIXMS-AWEZNQCLSA-N 0 0 363.487 2.688 10 0 FFAERN Cc1cc(C(=O)N2CCC[C@H](c3nc(N(C)C)no3)C2)c(C)n1C1CC1 ZINC000194485533 510390446 /nfs/dbraw/zinc/39/04/46/510390446.db2.gz ZTHXTZXBYROBSC-AWEZNQCLSA-N 0 0 357.458 2.909 10 0 FFAERN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cn2)n1 ZINC000246254538 510390621 /nfs/dbraw/zinc/39/06/21/510390621.db2.gz YPWSOQYQFGCDOP-CGTJXYLNSA-N 0 0 352.438 2.572 10 0 FFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(OC(F)F)cc1 ZINC000178053939 510403775 /nfs/dbraw/zinc/40/37/75/510403775.db2.gz TUBHOUVLMJRKHF-LBPRGKRZSA-N 0 0 367.356 2.683 10 0 FFAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(Cc2nc([C@H](C)OC)no2)C1 ZINC000246291214 510409036 /nfs/dbraw/zinc/40/90/36/510409036.db2.gz OVAIZETYHXBTLE-CWRNSKLLSA-N 0 0 359.426 2.556 10 0 FFAERN 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/nfs/dbraw/zinc/54/93/98/510549398.db2.gz PZIIGDJAVAJYMM-DOTOQJQBSA-N 0 0 365.543 2.958 10 0 FFAERN Cc1nc(CN2CCCN(C(=O)NCc3ccsc3)CC2)cs1 ZINC000172113664 510549651 /nfs/dbraw/zinc/54/96/51/510549651.db2.gz PWBLQKQRAOBOLL-UHFFFAOYSA-N 0 0 350.513 2.931 10 0 FFAERN Cc1ccc2c(c1)nc(CNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)n2C ZINC000184860028 510550794 /nfs/dbraw/zinc/55/07/94/510550794.db2.gz IDFJEOHICVNPJG-AWEZNQCLSA-N 0 0 372.469 2.755 10 0 FFAERN Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000178340062 510553804 /nfs/dbraw/zinc/55/38/04/510553804.db2.gz FAHZUSXIZQXSQM-SNVBAGLBSA-N 0 0 353.348 2.828 10 0 FFAERN COc1ccccc1CN(C)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181716341 510554559 /nfs/dbraw/zinc/55/45/59/510554559.db2.gz JRIPXHWTFRGMBX-HNNXBMFYSA-N 0 0 357.458 2.567 10 0 FFAERN CCCCn1cc(C(=O)N2CCC(N(C)c3cccnn3)CC2)c(C)n1 ZINC000184875324 510558542 /nfs/dbraw/zinc/55/85/42/510558542.db2.gz SNJUAVVVDMGJJV-UHFFFAOYSA-N 0 0 356.474 2.523 10 0 FFAERN COC[C@@H](NC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1)c1ccccc1 ZINC000172132599 510559631 /nfs/dbraw/zinc/55/96/31/510559631.db2.gz HLAGQHLHZCCWID-IEBWSBKVSA-N 0 0 371.485 2.704 10 0 FFAERN O=C(NCCc1cn2ccccc2n1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246569007 510560279 /nfs/dbraw/zinc/56/02/79/510560279.db2.gz LVGYPFAQJGATJF-CGTJXYLNSA-N 0 0 354.454 2.524 10 0 FFAERN O=C(NCc1ccc(CN2CCCC2=O)cc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246572574 510563761 /nfs/dbraw/zinc/56/37/61/510563761.db2.gz APAOTMYXAVQQJI-OTWHNJEPSA-N 0 0 371.481 2.566 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@H](C)C[C@H](O)c1ccccc1)CC2 ZINC000181734659 510565991 /nfs/dbraw/zinc/56/59/91/510565991.db2.gz NZWIMWPDBQSZBW-PVAVHDDUSA-N 0 0 371.485 2.528 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCCC[C@@H]1c1cccn1C)CC2 ZINC000181739419 510568162 /nfs/dbraw/zinc/56/81/62/510568162.db2.gz CDTXPYSVKPVVSL-DOTOQJQBSA-N 0 0 370.501 2.992 10 0 FFAERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C1(C)C ZINC000181739319 510568951 /nfs/dbraw/zinc/56/89/51/510568951.db2.gz MXSMOBBQGJIXDK-QLFBSQMISA-N 0 0 363.506 2.561 10 0 FFAERN Cc1nccn1C[C@H](C)CNC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000194880294 510572177 /nfs/dbraw/zinc/57/21/77/510572177.db2.gz GPFGAFSQXBORJN-ZIAGYGMSSA-N 0 0 358.442 2.659 10 0 FFAERN CCSCC[C@H](C)N(C)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181754029 510574534 /nfs/dbraw/zinc/57/45/34/510574534.db2.gz QTWRIKNZNBQCLK-KBPBESRZSA-N 0 0 353.536 2.889 10 0 FFAERN COCCN1CCN(C(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000184906834 510576344 /nfs/dbraw/zinc/57/63/44/510576344.db2.gz RZRSJQFWDFMBOS-GJZGRUSLSA-N 0 0 366.889 2.728 10 0 FFAERN O=C(CCC(=O)N1CCc2sccc2C1)N[C@H]1COc2ccccc21 ZINC000194889021 510576471 /nfs/dbraw/zinc/57/64/71/510576471.db2.gz NRPNAYNLYBYWHQ-HNNXBMFYSA-N 0 0 356.447 2.663 10 0 FFAERN COc1c(CNc2nnc(CCc3ccc(OC)cc3)o2)c(C)nn1C ZINC000181760132 510577858 /nfs/dbraw/zinc/57/78/58/510577858.db2.gz WHQRKWIGCADWJR-UHFFFAOYSA-N 0 0 357.414 2.526 10 0 FFAERN O=C([C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC(n2cncn2)CC1 ZINC000184912055 510579973 /nfs/dbraw/zinc/57/99/73/510579973.db2.gz ICNWWDKXNDYGPH-STQMWFEESA-N 0 0 350.344 2.663 10 0 FFAERN O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC(n2cncn2)CC1 ZINC000184912098 510580069 /nfs/dbraw/zinc/58/00/69/510580069.db2.gz ICNWWDKXNDYGPH-QWHCGFSZSA-N 0 0 350.344 2.663 10 0 FFAERN O=S(=O)(C[C@@H]1CCCO1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178391249 510580203 /nfs/dbraw/zinc/58/02/03/510580203.db2.gz XCFSTLOVPJTETJ-HOCLYGCPSA-N 0 0 351.468 2.921 10 0 FFAERN O=C(NC1CCC(O)CC1)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000181769239 510582995 /nfs/dbraw/zinc/58/29/95/510582995.db2.gz IRUIZHPOEBHNBO-UHFFFAOYSA-N 0 0 369.465 2.577 10 0 FFAERN O=S(=O)(c1cc(F)ccc1F)N1CCC(Nc2nccs2)CC1 ZINC000188087348 510585788 /nfs/dbraw/zinc/58/57/88/510585788.db2.gz VUNOHDCYWLQYHX-UHFFFAOYSA-N 0 0 359.423 2.687 10 0 FFAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(Cl)c(F)c1Cl ZINC000188091661 510589828 /nfs/dbraw/zinc/58/98/28/510589828.db2.gz MMCAXRINDGLCQS-QMMMGPOBSA-N 0 0 365.217 2.537 10 0 FFAERN COC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc(C)c(Br)c1 ZINC000188095522 510591784 /nfs/dbraw/zinc/59/17/84/510591784.db2.gz LHELJPMHYFIDSB-AWEZNQCLSA-N 0 0 354.244 2.854 10 0 FFAERN CCc1noc([C@H](C)N2CCN(C(=O)NC[C@H]3CCCC[C@H]3C)CC2)n1 ZINC000246628204 510591785 /nfs/dbraw/zinc/59/17/85/510591785.db2.gz NROMJMCJXLLLOL-OWCLPIDISA-N 0 0 363.506 2.847 10 0 FFAERN C[C@H](O)c1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1 ZINC000246633223 510593199 /nfs/dbraw/zinc/59/31/99/510593199.db2.gz VVAIFBSHAGKTFE-ZRCAFCQKSA-N 0 0 366.461 2.966 10 0 FFAERN COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000172198841 510595581 /nfs/dbraw/zinc/59/55/81/510595581.db2.gz YDZAIRCUYGQSCJ-OAHLLOKOSA-N 0 0 356.378 2.677 10 0 FFAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)NCc1ccccc1 ZINC000178427220 510599086 /nfs/dbraw/zinc/59/90/86/510599086.db2.gz JJRXZRILQPSPRN-QGZVFWFLSA-N 0 0 359.495 2.963 10 0 FFAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000188109688 510599423 /nfs/dbraw/zinc/59/94/23/510599423.db2.gz UZUXLUQNPXFOKO-INIZCTEOSA-N 0 0 370.844 2.730 10 0 FFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1cc(F)c(F)cc1F ZINC000246651084 510600952 /nfs/dbraw/zinc/60/09/52/510600952.db2.gz LEVXHNRKPQHOCY-GTTSAUCSSA-N 0 0 355.356 2.979 10 0 FFAERN CCOc1cccc(NC(=O)N2CCCN(Cc3noc(C)n3)CC2)c1 ZINC000175350476 510603542 /nfs/dbraw/zinc/60/35/42/510603542.db2.gz SJEYDJXXGYEWPQ-UHFFFAOYSA-N 0 0 359.430 2.517 10 0 FFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](CC)c1ccc(F)cc1F ZINC000246660987 510606732 /nfs/dbraw/zinc/60/67/32/510606732.db2.gz KRALHVVSOBNWEM-CVEARBPZSA-N 0 0 374.453 2.736 10 0 FFAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)CCO2)c1 ZINC000246660544 510606845 /nfs/dbraw/zinc/60/68/45/510606845.db2.gz RXZUBCMCOWMYMZ-KFWWJZLASA-N 0 0 374.407 2.723 10 0 FFAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)CC1 ZINC000184968460 510607945 /nfs/dbraw/zinc/60/79/45/510607945.db2.gz WPORATWGBYQWGW-PKOBYXMFSA-N 0 0 361.530 2.841 10 0 FFAERN CN1C(=O)CC[C@H](C(=O)N2CC[C@@H]3OCCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000246674890 510611832 /nfs/dbraw/zinc/61/18/32/510611832.db2.gz FUKVZJPKFHEVLI-JPLJXNOCSA-N 0 0 356.466 2.624 10 0 FFAERN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000194971650 510614123 /nfs/dbraw/zinc/61/41/23/510614123.db2.gz VGZYUTBTTOUBEU-OTWHNJEPSA-N 0 0 367.424 2.888 10 0 FFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)CC2(CC(=O)OC)CCCC2)C1 ZINC000191350043 510615876 /nfs/dbraw/zinc/61/58/76/510615876.db2.gz QEDSUTBYCHLUKU-OAHLLOKOSA-N 0 0 362.474 2.518 10 0 FFAERN CCn1cc([C@H]2CN(C(=O)NCCc3c(F)cccc3F)CCO2)cn1 ZINC000191347535 510616455 /nfs/dbraw/zinc/61/64/55/510616455.db2.gz PNZWZHHWWUMMHT-QGZVFWFLSA-N 0 0 364.396 2.507 10 0 FFAERN CC(C)c1nnc(CNc2ccc(N3CCCCC3)cc2C(N)=O)n1C ZINC000194988596 510620413 /nfs/dbraw/zinc/62/04/13/510620413.db2.gz NBDUZNLZFYQBCA-UHFFFAOYSA-N 0 0 356.474 2.640 10 0 FFAERN Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCOc2ccccc21 ZINC000178476897 510622989 /nfs/dbraw/zinc/62/29/89/510622989.db2.gz CSPWIWGEZUPWGK-QGZVFWFLSA-N 0 0 368.437 2.872 10 0 FFAERN Cc1cccc(N2CCC(NC(=O)[C@H]3Oc4ccccc4O[C@@H]3C)CC2)n1 ZINC000172248614 510625979 /nfs/dbraw/zinc/62/59/79/510625979.db2.gz CCPXASBURVXASC-QRWLVFNGSA-N 0 0 367.449 2.704 10 0 FFAERN O=C(/C=C/c1ccc2c(c1)OCCO2)N1CC[C@H](OCc2ccncc2)C1 ZINC000172250661 510626674 /nfs/dbraw/zinc/62/66/74/510626674.db2.gz ICZLPYYBLHLCMB-BWDYHRDRSA-N 0 0 366.417 2.684 10 0 FFAERN CCS[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000246727006 510638596 /nfs/dbraw/zinc/63/85/96/510638596.db2.gz VGFFNDHYBSSSSC-VBNZEHGJSA-N 0 0 360.479 2.852 10 0 FFAERN CCn1c(C)nnc1CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000195028988 510638661 /nfs/dbraw/zinc/63/86/61/510638661.db2.gz VHXSFMJOTUYXBP-UHFFFAOYSA-N 0 0 367.419 2.943 10 0 FFAERN COc1cccc([C@H](C)CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000175422273 510640530 /nfs/dbraw/zinc/64/05/30/510640530.db2.gz OCFCFEVOIPUJJC-NVXWUHKLSA-N 0 0 354.454 2.764 10 0 FFAERN C[C@@H]1CN([C@H](CNC(=O)CC[C@@H]2CCCCO2)c2cccs2)CCO1 ZINC000246747332 510650503 /nfs/dbraw/zinc/65/05/03/510650503.db2.gz HNFYPSFZCFOAND-IXDOHACOSA-N 0 0 366.527 2.975 10 0 FFAERN C[C@@H]1CC[C@@H](CCC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)O1 ZINC000246752003 510653290 /nfs/dbraw/zinc/65/32/90/510653290.db2.gz HSYAABSXGQPUCU-IXDOHACOSA-N 0 0 366.527 2.928 10 0 FFAERN CCOCCN1CCN(C(=O)c2cnc(-c3ccco3)s2)C[C@@H]1CC ZINC000172298580 510653672 /nfs/dbraw/zinc/65/36/72/510653672.db2.gz LQKFWHIGMUGLAP-AWEZNQCLSA-N 0 0 363.483 2.976 10 0 FFAERN CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000185046796 510653946 /nfs/dbraw/zinc/65/39/46/510653946.db2.gz CHHAXMQEYFEXGQ-NTSWFWBYSA-N 0 0 354.275 2.552 10 0 FFAERN Cc1cc(C)c(OCC(=O)N2CCC(c3ccnn3CCO)CC2)c(C)c1 ZINC000181913699 510656456 /nfs/dbraw/zinc/65/64/56/510656456.db2.gz OEFBYPKXVIFYHX-UHFFFAOYSA-N 0 0 371.481 2.586 10 0 FFAERN O=C(c1sccc1-n1cccc1)N1CCC(c2ccnn2CCO)CC1 ZINC000181917604 510658000 /nfs/dbraw/zinc/65/80/00/510658000.db2.gz HUAPHKMVTIZBDV-UHFFFAOYSA-N 0 0 370.478 2.747 10 0 FFAERN Cc1ccc(Br)cc1CNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000188233836 510661323 /nfs/dbraw/zinc/66/13/23/510661323.db2.gz QRICFBLATVGXNA-LLVKDONJSA-N 0 0 365.227 2.785 10 0 FFAERN C[C@H](O)CN1CCN(C(=O)C(C)(C)c2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000246772848 510666175 /nfs/dbraw/zinc/66/61/75/510666175.db2.gz PKGIEGAHXQWIGS-KGLIPLIRSA-N 0 0 372.431 2.897 10 0 FFAERN CCc1nnc2ccc(NC[C@@H](c3cccs3)N3CCO[C@@H](C)C3)nn21 ZINC000246781493 510671745 /nfs/dbraw/zinc/67/17/45/510671745.db2.gz IZIVUAUOOASWQJ-KBPBESRZSA-N 0 0 372.498 2.622 10 0 FFAERN COc1ccc(-c2nc(CN3CCOC[C@H]3c3nc(C)no3)co2)cc1 ZINC000185082641 510674515 /nfs/dbraw/zinc/67/45/15/510674515.db2.gz JXDHZLSFSDQKRT-INIZCTEOSA-N 0 0 356.382 2.615 10 0 FFAERN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)CCc2cscn2)C1 ZINC000178586597 510674856 /nfs/dbraw/zinc/67/48/56/510674856.db2.gz CPEFYZVUVHDSKE-CVEARBPZSA-N 0 0 358.463 2.881 10 0 FFAERN 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YMRRYSIUBGTTAY-MRXNPFEDSA-N 0 0 361.467 2.862 10 0 FFAERN CN(C)[C@H](CNC(=O)NC[C@@H]1CCCC[C@@H]1O)c1ccccc1Cl ZINC000172593705 510811188 /nfs/dbraw/zinc/81/11/88/510811188.db2.gz JSTSNJUNIDUCIC-XKQJLSEDSA-N 0 0 353.894 2.793 10 0 FFAERN CCn1cc([C@H]2CN(C(=O)c3ccc4ccccc4c3O)CCO2)cn1 ZINC000191743955 510812875 /nfs/dbraw/zinc/81/28/75/510812875.db2.gz FKJYYDSFGXDASF-GOSISDBHSA-N 0 0 351.406 2.976 10 0 FFAERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2cn3ccnc3s2)C1 ZINC000188538921 510815818 /nfs/dbraw/zinc/81/58/18/510815818.db2.gz UEPFYECCMSPQPY-GJZGRUSLSA-N 0 0 369.446 2.815 10 0 FFAERN Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc4[nH]ccc4c3)C2=O)n(C)n1 ZINC000175842005 510819943 /nfs/dbraw/zinc/81/99/43/510819943.db2.gz IYNWKTMIRBUUJJ-INIZCTEOSA-N 0 0 366.425 2.527 10 0 FFAERN C[C@@H]1C(=O)NCCCN1C(=O)COc1ccc(Oc2ccccc2)cc1 ZINC000191764804 510820006 /nfs/dbraw/zinc/82/00/06/510820006.db2.gz HEKMYFJQRWMXRS-OAHLLOKOSA-N 0 0 354.406 2.595 10 0 FFAERN COc1ccc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c(OC(C)C)c1 ZINC000191767835 510821722 /nfs/dbraw/zinc/82/17/22/510821722.db2.gz VFIGMWFFWVIGIQ-CQSZACIVSA-N 0 0 372.469 2.942 10 0 FFAERN O=C(NC1CN(C(=O)c2ccccc2C(=O)c2ccccc2)C1)C1CCC1 ZINC000188564578 510826930 /nfs/dbraw/zinc/82/69/30/510826930.db2.gz GCAXVHVQWRGORH-UHFFFAOYSA-N 0 0 362.429 2.658 10 0 FFAERN CS[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)C1 ZINC000247078366 510828343 /nfs/dbraw/zinc/82/83/43/510828343.db2.gz LESKDGWKJMEDRN-BRWVUGGUSA-N 0 0 366.531 2.585 10 0 FFAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)[C@H]2C1 ZINC000247077826 510828354 /nfs/dbraw/zinc/82/83/54/510828354.db2.gz VWSGWYMOEXYRJA-SOLBZPMBSA-N 0 0 363.841 2.911 10 0 FFAERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1)[C@H](C)C2 ZINC000195448707 510828688 /nfs/dbraw/zinc/82/86/88/510828688.db2.gz UJLLDFNZJCGSTI-AUUYWEPGSA-N 0 0 372.490 2.909 10 0 FFAERN C[C@H]1CN([C@H](CNC(=O)c2ccc3nccn3c2)c2cccs2)CCO1 ZINC000247091347 510831995 /nfs/dbraw/zinc/83/19/95/510831995.db2.gz VTPLNVQXKUHOLZ-GOEBONIOSA-N 0 0 370.478 2.588 10 0 FFAERN CCn1cnnc1C1CCN(C(=O)c2nn(-c3ccccc3)cc2C)CC1 ZINC000185404093 510835874 /nfs/dbraw/zinc/83/58/74/510835874.db2.gz RRGQMFPQRWAMSY-UHFFFAOYSA-N 0 0 364.453 2.812 10 0 FFAERN CCO[C@@H]1C[C@@H](NC(=O)c2cccc(NC(C)=O)c2C)C12CCOCC2 ZINC000188590395 510836643 /nfs/dbraw/zinc/83/66/43/510836643.db2.gz SPXHFWMZEOHRCZ-QZTJIDSGSA-N 0 0 360.454 2.657 10 0 FFAERN COc1cccc(CC(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)c1 ZINC000247116068 510838094 /nfs/dbraw/zinc/83/80/94/510838094.db2.gz XAWLYPDDAJYXPL-CRAIPNDOSA-N 0 0 374.506 2.877 10 0 FFAERN COc1ccc(NC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2C)c(C)n1 ZINC000185421805 510841151 /nfs/dbraw/zinc/84/11/51/510841151.db2.gz ZSRZDIWJIIWKAZ-QGZVFWFLSA-N 0 0 372.400 2.551 10 0 FFAERN CCS[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000247156657 510847142 /nfs/dbraw/zinc/84/71/42/510847142.db2.gz YSQRUJOXQWOEKM-BRWVUGGUSA-N 0 0 361.511 2.867 10 0 FFAERN O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247165979 510847997 /nfs/dbraw/zinc/84/79/97/510847997.db2.gz QSZFWACMVJOAGB-XUVXKRRUSA-N 0 0 357.498 2.514 10 0 FFAERN CC(C)Sc1cc(Br)ccc1[C@@H]1NC(=O)[C@@H]2COCCN12 ZINC000182311740 510848468 /nfs/dbraw/zinc/84/84/68/510848468.db2.gz HTAYFRXSYYVQHG-GXTWGEPZSA-N 0 0 371.300 2.779 10 0 FFAERN CS[C@@H]1CCC[C@H](NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000247201621 510851286 /nfs/dbraw/zinc/85/12/86/510851286.db2.gz TXUPTDPLHUMYHS-HLLBOEOZSA-N 0 0 355.548 2.555 10 0 FFAERN Cc1ccccc1-n1nccc1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000182330868 510851380 /nfs/dbraw/zinc/85/13/80/510851380.db2.gz GFJHDSLWIHIHBQ-HNNXBMFYSA-N 0 0 351.414 2.641 10 0 FFAERN CCCNC(=O)c1cccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC)c1 ZINC000247236011 510853705 /nfs/dbraw/zinc/85/37/05/510853705.db2.gz PCOBCTAFBJJDDX-QGTPRVQTSA-N 0 0 372.465 2.773 10 0 FFAERN CC1(C)[C@H](NC(=O)/C=C/c2c(Cl)nc3sccn23)[C@@H]2CCO[C@H]21 ZINC000247319030 510856824 /nfs/dbraw/zinc/85/68/24/510856824.db2.gz WSRCTPIHAITXPU-SJPKVTHWSA-N 0 0 351.859 2.992 10 0 FFAERN COc1cc(OC)cc([C@H](O)CNC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1 ZINC000247359225 510858408 /nfs/dbraw/zinc/85/84/08/510858408.db2.gz BYAPSSCDPYJRLW-VWPQPMDRSA-N 0 0 367.445 2.758 10 0 FFAERN COc1cc(OC)cc([C@H](O)CNC(=O)[C@H]2C[C@]23CCc2ccccc23)c1 ZINC000247359209 510858417 /nfs/dbraw/zinc/85/84/17/510858417.db2.gz BYAPSSCDPYJRLW-SJBKTWHCSA-N 0 0 367.445 2.758 10 0 FFAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1OC(F)F ZINC000247410400 510860171 /nfs/dbraw/zinc/86/01/71/510860171.db2.gz MOMRNNRVGCPWTF-MJBXVCDLSA-N 0 0 368.380 2.609 10 0 FFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H]3C[C@]34CCc3ccccc34)CCO2)n1 ZINC000247421122 510860210 /nfs/dbraw/zinc/86/02/10/510860210.db2.gz KNCJTTDUFBLYKA-DWLFOUALSA-N 0 0 365.477 2.631 10 0 FFAERN CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000247474345 510862131 /nfs/dbraw/zinc/86/21/31/510862131.db2.gz QNGAWDDVOVRBMT-NJZAAPMLSA-N 0 0 351.834 2.779 10 0 FFAERN O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247482989 510862555 /nfs/dbraw/zinc/86/25/55/510862555.db2.gz WHRYWGHSVLRSMO-OJDYBEQGSA-N 0 0 353.821 2.989 10 0 FFAERN CN(C(=O)[C@@H]1C[C@]12CCc1ccccc12)[C@H]1CCCN(c2cccnn2)C1 ZINC000247515342 510864072 /nfs/dbraw/zinc/86/40/72/510864072.db2.gz ZKGKXFHVGKYHCS-JLMWRMLUSA-N 0 0 362.477 2.808 10 0 FFAERN Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c(F)cc1F ZINC000247544204 510864981 /nfs/dbraw/zinc/86/49/81/510864981.db2.gz KDFFKGYJGVFHAC-NHYWBVRUSA-N 0 0 355.410 2.742 10 0 FFAERN CCOCCN1CCN(CC(=O)N(C)[C@H]2CCCc3ccccc32)C[C@H]1C ZINC000247554088 510865375 /nfs/dbraw/zinc/86/53/75/510865375.db2.gz FJFXJRTVBYEDTI-NQIIRXRSSA-N 0 0 373.541 2.565 10 0 FFAERN O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247566885 510865964 /nfs/dbraw/zinc/86/59/64/510865964.db2.gz SCFDCGORSBBFCF-ZNMIVQPWSA-N 0 0 370.371 2.509 10 0 FFAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@H](O)COc1ccc2ccccc2c1 ZINC000247726388 510868890 /nfs/dbraw/zinc/86/88/90/510868890.db2.gz DAUUBFCWHXQACK-QXAKKESOSA-N 0 0 351.402 2.531 10 0 FFAERN Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cnc1Cl ZINC000247739890 510869418 /nfs/dbraw/zinc/86/94/18/510869418.db2.gz VWOBLYSQEQYPHM-RISCZKNCSA-N 0 0 354.863 2.512 10 0 FFAERN Cc1cnn([C@@H]2CCCN(CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)c1 ZINC000247770530 510869821 /nfs/dbraw/zinc/86/98/21/510869821.db2.gz OXVZVBGBQCZTCU-HUUCEWRRSA-N 0 0 358.408 2.629 10 0 FFAERN C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C[C@H]1n1ccnc1 ZINC000247792349 510870506 /nfs/dbraw/zinc/87/05/06/510870506.db2.gz ZGCVWTAXIDVCPU-BXUZGUMPSA-N 0 0 357.838 2.947 10 0 FFAERN CCOCCN1CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000247804215 510870590 /nfs/dbraw/zinc/87/05/90/510870590.db2.gz SCNBEPVCJQVJAB-CABCVRRESA-N 0 0 353.894 2.710 10 0 FFAERN COC(=O)[C@@H]1CCCCN1C(=O)COc1ccc(Br)cc1F ZINC000247871288 510871826 /nfs/dbraw/zinc/87/18/26/510871826.db2.gz ZPZNEEOTGZSQEB-LBPRGKRZSA-N 0 0 374.206 2.521 10 0 FFAERN Cc1ccc(C)c(OC2CCN(C(=O)N[C@H]3CCC(=O)N[C@H]3C)CC2)c1 ZINC000282163370 510872210 /nfs/dbraw/zinc/87/22/10/510872210.db2.gz JCMUVJOEYGUNTC-RDJZCZTQSA-N 0 0 359.470 2.523 10 0 FFAERN NC(=O)NC1(C(=O)N2CC[C@H](c3cccc(Oc4ccccc4)c3)C2)CC1 ZINC000360791830 510950722 /nfs/dbraw/zinc/95/07/22/510950722.db2.gz QXODGCPOQQZYEB-INIZCTEOSA-N 0 0 365.433 2.996 10 0 FFAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCOC[C@H]1c1nc[nH]n1 ZINC000294111190 510958988 /nfs/dbraw/zinc/95/89/88/510958988.db2.gz DHHIWJLXVWMCCY-KGLIPLIRSA-N 0 0 359.430 2.503 10 0 FFAERN OC[C@H]1CCCN1c1cc(NCCc2nc3ccccc3s2)ncn1 ZINC000271413174 511196033 /nfs/dbraw/zinc/19/60/33/511196033.db2.gz DQVGWTSLPFUHLB-CYBMUJFWSA-N 0 0 355.467 2.702 10 0 FFAERN CCc1nnc([C@@H]2CN(Cc3cc(O)cc(C(F)(F)F)c3)CCO2)o1 ZINC000291539706 511237714 /nfs/dbraw/zinc/23/77/14/511237714.db2.gz LDVOFJDZYIRENV-ZDUSSCGKSA-N 0 0 357.332 2.930 10 0 FFAERN Cc1nc([C@@H]2CCCN(S(=O)(=O)[C@H]3CCO[C@@H](C)C3)C2)sc1C ZINC000333431327 511241484 /nfs/dbraw/zinc/24/14/84/511241484.db2.gz NPGWJEZTNMPJRZ-GLQYFDAESA-N 0 0 358.529 2.837 10 0 FFAERN C[C@@H]1C[C@H](CNC(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)CCO1 ZINC000271582965 511253483 /nfs/dbraw/zinc/25/34/83/511253483.db2.gz RFTPBPNENHXUHL-WOKLECCJSA-N 0 0 354.397 2.597 10 0 FFAERN Cc1cc([C@H]2CCCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)[nH]n1 ZINC000283184587 511268367 /nfs/dbraw/zinc/26/83/67/511268367.db2.gz LUJGLLSHIMWFSV-HOTGVXAUSA-N 0 0 360.502 2.709 10 0 FFAERN CC[C@H]1CN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C[C@H](C)S1(=O)=O ZINC000333561054 511285848 /nfs/dbraw/zinc/28/58/48/511285848.db2.gz WIVPWPGHHNCFDA-HJWJTTGWSA-N 0 0 356.532 2.810 10 0 FFAERN Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC(=O)N1C ZINC000333630304 511306471 /nfs/dbraw/zinc/30/64/71/511306471.db2.gz AQAVTWFLVAHECL-VXZHYEQSSA-N 0 0 374.529 2.887 10 0 FFAERN Cc1cc(NC(=O)N2CCN(C(=O)C3CC3)C2)cc(F)c1Br ZINC000333832440 511367776 /nfs/dbraw/zinc/36/77/76/511367776.db2.gz JPQPVPMWKLXJQL-UHFFFAOYSA-N 0 0 370.222 2.940 10 0 FFAERN Cc1cnn([C@H]2CCCN(C(=O)Nc3cc([C@@H]4CCCOC4)nn3C)C2)c1 ZINC000280338060 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/nfs/dbraw/zinc/51/64/69/509516469.db2.gz XOEIEDCSZBJULI-SMDDNHRTSA-N 0 0 367.421 2.613 10 0 FFAERN Cc1nc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c2ccccc2)sc1C ZINC000176448715 509517320 /nfs/dbraw/zinc/51/73/20/509517320.db2.gz MKLJTQHXTHWBSY-GXTWGEPZSA-N 0 0 366.508 2.941 10 0 FFAERN Cc1nc(CN(C)S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)no1 ZINC000182960150 509518138 /nfs/dbraw/zinc/51/81/38/509518138.db2.gz YVPRTZNURFWRQO-UHFFFAOYSA-N 0 0 350.227 2.814 10 0 FFAERN Cc1csc([C@@H]2CN([C@H](Cc3ccc(Cl)cc3)C(N)=O)CCO2)n1 ZINC000248865795 509518685 /nfs/dbraw/zinc/51/86/85/509518685.db2.gz HOVVDEZHOMULDE-CABCVRRESA-N 0 0 365.886 2.575 10 0 FFAERN COCCn1nc(C)c(NC(=O)NC[C@@H]2CCN(C)c3ccccc32)c1C ZINC000179573122 509520709 /nfs/dbraw/zinc/52/07/09/509520709.db2.gz QSEOSQPEKMXHIB-INIZCTEOSA-N 0 0 371.485 2.892 10 0 FFAERN C[C@@H]1C(=O)NCCCN1Cc1ncc(-c2ccccc2Br)o1 ZINC000189329825 509523413 /nfs/dbraw/zinc/52/34/13/509523413.db2.gz ODHADXSDSZVGGT-LLVKDONJSA-N 0 0 364.243 2.815 10 0 FFAERN CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000176460583 509524349 /nfs/dbraw/zinc/52/43/49/509524349.db2.gz MSIUNKGAHSHPAV-QGZVFWFLSA-N 0 0 367.453 2.940 10 0 FFAERN C[C@](O)(CNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(Cl)c1 ZINC000248883895 509526313 /nfs/dbraw/zinc/52/63/13/509526313.db2.gz RXBJIMMYCHPMKU-CBZIJGRNSA-N 0 0 352.862 2.804 10 0 FFAERN Cn1cc([C@H]2CCCN2[C@H](C(N)=O)c2ccc(Br)cc2)cn1 ZINC000173316782 509528003 /nfs/dbraw/zinc/52/80/03/509528003.db2.gz CXXXUFDNLYPTFG-CABCVRRESA-N 0 0 363.259 2.546 10 0 FFAERN CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000176469962 509529660 /nfs/dbraw/zinc/52/96/60/509529660.db2.gz UMKZROZCLATNQB-ZDUSSCGKSA-N 0 0 357.458 2.609 10 0 FFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000176482417 509538036 /nfs/dbraw/zinc/53/80/36/509538036.db2.gz RJAVMBOANKSXET-ZDUSSCGKSA-N 0 0 357.414 2.592 10 0 FFAERN CSc1nc(=O)[nH]c(C)c1C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000176486918 509538553 /nfs/dbraw/zinc/53/85/53/509538553.db2.gz SXTJAYWWFZKPKK-HUUCEWRRSA-N 0 0 373.478 2.529 10 0 FFAERN C[C@@H](COCc1ccccc1)NC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000173343258 509541826 /nfs/dbraw/zinc/54/18/26/509541826.db2.gz GSSVNXXTHCABLP-INIZCTEOSA-N 0 0 369.469 2.668 10 0 FFAERN C[C@H](COCc1ccccc1)NC(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000173341091 509541834 /nfs/dbraw/zinc/54/18/34/509541834.db2.gz VZOZCFMZSUWRBV-OAHLLOKOSA-N 0 0 373.419 2.871 10 0 FFAERN Cc1cc(N2CCC[C@H](NCc3ccc(Cl)cc3F)C2=O)n(C)n1 ZINC000189367795 509542539 /nfs/dbraw/zinc/54/25/39/509542539.db2.gz XDCCXGXOTLEPFW-HNNXBMFYSA-N 0 0 350.825 2.806 10 0 FFAERN COc1ccc(OC)c2c1CN([C@H]1CCc3ccccc3NC1=O)C[C@H]2O ZINC000248915185 509544597 /nfs/dbraw/zinc/54/45/97/509544597.db2.gz ZIVIFDWPJOPVKX-DLBZAZTESA-N 0 0 368.433 2.506 10 0 FFAERN O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000164982690 509547896 /nfs/dbraw/zinc/54/78/96/509547896.db2.gz WVLSRDOOKFKNEQ-ABAIWWIYSA-N 0 0 369.252 2.557 10 0 FFAERN O=C(O[C@@H]1CCc2cccnc21)C1CCN(C(=O)c2ccccn2)CC1 ZINC000189387555 509549827 /nfs/dbraw/zinc/54/98/27/509549827.db2.gz PZIAJMYPXRPSKC-QGZVFWFLSA-N 0 0 351.406 2.560 10 0 FFAERN CN(C(=O)c1ccco1)c1ccccc1C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000189396144 509554516 /nfs/dbraw/zinc/55/45/16/509554516.db2.gz URBZXXPIIJKOCX-DDUZABMNSA-N 0 0 354.406 2.854 10 0 FFAERN Cn1cc(CN2CCCN(C(=O)C/C=C/c3cccc(F)c3)CC2)cn1 ZINC000176516613 509556511 /nfs/dbraw/zinc/55/65/11/509556511.db2.gz VUOQEUNPVVTUGO-ZZXKWVIFSA-N 0 0 356.445 2.697 10 0 FFAERN Cc1csc([C@H]2CCCN(Cc3cn(Cc4cccnc4)nn3)C2)n1 ZINC000183032699 509558318 /nfs/dbraw/zinc/55/83/18/509558318.db2.gz ROYMSXMAFDTIMW-INIZCTEOSA-N 0 0 354.483 2.866 10 0 FFAERN Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3c3cnn(C)c3)CC2)nc1 ZINC000173372672 509558302 /nfs/dbraw/zinc/55/83/02/509558302.db2.gz WBKNDOJVYRWYIX-GOSISDBHSA-N 0 0 368.485 2.639 10 0 FFAERN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)C(C)C ZINC000189411575 509561814 /nfs/dbraw/zinc/56/18/14/509561814.db2.gz KQUWZOBXKVKPRI-RYUDHWBXSA-N 0 0 356.850 2.853 10 0 FFAERN CCc1noc([C@@H](C)N2CCN(C(=O)NCCCCCSC)CC2)n1 ZINC000186177029 509562362 /nfs/dbraw/zinc/56/23/62/509562362.db2.gz WQXMNHYJZOADLW-CQSZACIVSA-N 0 0 369.535 2.554 10 0 FFAERN Cc1ccc(C(N)=O)cc1NC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000176531330 509567048 /nfs/dbraw/zinc/56/70/48/509567048.db2.gz XRUMMZDHFOZCPY-UHFFFAOYSA-N 0 0 369.425 2.945 10 0 FFAERN CCn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cccc(F)c3F)CCO2)cn1 ZINC000248997198 509567525 /nfs/dbraw/zinc/56/75/25/509567525.db2.gz KKOQEUJOAOAUIY-ZOBUZTSGSA-N 0 0 361.392 2.885 10 0 FFAERN Cc1nc(C)c(C(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)s1 ZINC000176542858 509572981 /nfs/dbraw/zinc/57/29/81/509572981.db2.gz OZEBEKJUTLRKMU-CQSZACIVSA-N 0 0 365.524 2.967 10 0 FFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc3ccn(C)c3c2)C1 ZINC000189436770 509574237 /nfs/dbraw/zinc/57/42/37/509574237.db2.gz MATOWKBPOILJFA-GOEBONIOSA-N 0 0 355.398 2.864 10 0 FFAERN C[C@@H]1CC[C@@H](CCC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)O1 ZINC000176546382 509574661 /nfs/dbraw/zinc/57/46/61/509574661.db2.gz HSYAABSXGQPUCU-IKGGRYGDSA-N 0 0 366.527 2.928 10 0 FFAERN Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000183066474 509574924 /nfs/dbraw/zinc/57/49/24/509574924.db2.gz UKRKXXSMWFISHY-HNNXBMFYSA-N 0 0 354.454 2.736 10 0 FFAERN C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)c1nnc2n1CCCC2 ZINC000165564574 509575666 /nfs/dbraw/zinc/57/56/66/509575666.db2.gz HKLJOAAVTWAPFT-ZDUSSCGKSA-N 0 0 369.469 2.728 10 0 FFAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(Cl)c3C)C2=O)n(C)n1 ZINC000192638057 509577067 /nfs/dbraw/zinc/57/70/67/509577067.db2.gz YFYKFXDEKYXJCM-OAHLLOKOSA-N 0 0 360.845 2.616 10 0 FFAERN CCOC(=O)c1nn(C)cc1CN1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000186206160 509577335 /nfs/dbraw/zinc/57/73/35/509577335.db2.gz KBEDJUHDWUGCOB-CYBMUJFWSA-N 0 0 362.499 2.995 10 0 FFAERN CCCCc1ccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000165658146 509579476 /nfs/dbraw/zinc/57/94/76/509579476.db2.gz JOPZKTDHQXAXBX-CQSZACIVSA-N 0 0 369.469 2.773 10 0 FFAERN C[C@@H](NC(=O)NCCCOc1ccc(F)cc1)c1nnc2n1CCCC2 ZINC000165714157 509581944 /nfs/dbraw/zinc/58/19/44/509581944.db2.gz BQFKHSMDYAQZNT-CYBMUJFWSA-N 0 0 361.421 2.583 10 0 FFAERN COc1ccccc1C(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000176565166 509586316 /nfs/dbraw/zinc/58/63/16/509586316.db2.gz JEVFAVYXMARTSH-INIZCTEOSA-N 0 0 360.479 2.868 10 0 FFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cnn(-c2ccccn2)c1C ZINC000249056584 509586663 /nfs/dbraw/zinc/58/66/63/509586663.db2.gz MWPVIGYXJBMSBC-OIISXLGYSA-N 0 0 368.437 2.522 10 0 FFAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc3c(cccc3F)[nH]2)ncn1 ZINC000173421198 509588485 /nfs/dbraw/zinc/58/84/85/509588485.db2.gz CKXMPBCYMYDMAF-GFCCVEGCSA-N 0 0 368.416 2.538 10 0 FFAERN CC(C)c1ccccc1NC(=O)[C@@H](C)[S@@](=O)Cc1nnnn1C(C)C ZINC000176573258 509589382 /nfs/dbraw/zinc/58/93/82/509589382.db2.gz NNQUQINIFPRMQX-SHZVTRLKSA-N 0 0 363.487 2.653 10 0 FFAERN CCOCCN1CCN([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)C[C@H]1C ZINC000249070911 509591064 /nfs/dbraw/zinc/59/10/64/509591064.db2.gz KWVRDTKNEDZATQ-WOJBJXKFSA-N 0 0 373.541 2.760 10 0 FFAERN Cc1ccc([C@H](CNC(=O)[C@@H](C)OCCC(C)C)N2CCOCC2)s1 ZINC000176574794 509591422 /nfs/dbraw/zinc/59/14/22/509591422.db2.gz QUUYOIDPZPPUNK-SJORKVTESA-N 0 0 368.543 2.997 10 0 FFAERN CN1CC[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)[C@H]1c1ccc(F)c(F)c1 ZINC000249071490 509591815 /nfs/dbraw/zinc/59/18/15/509591815.db2.gz JUDHWAOUTHWICU-QFBILLFUSA-N 0 0 371.387 2.635 10 0 FFAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2coc3ccccc23)ncn1 ZINC000173428427 509593204 /nfs/dbraw/zinc/59/32/04/509593204.db2.gz MNPSSVKYXJDVCD-ZDUSSCGKSA-N 0 0 351.410 2.663 10 0 FFAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)n(C(C)C)c2C)ncn1 ZINC000173434947 509596944 /nfs/dbraw/zinc/59/69/44/509596944.db2.gz AWXZJSTUKLAAIC-MRXNPFEDSA-N 0 0 370.501 2.916 10 0 FFAERN CC(C)c1nc([C@@H]2CCCN2C(=O)CNC(=O)CCC2CCCC2)no1 ZINC000173435804 509597096 /nfs/dbraw/zinc/59/70/96/509597096.db2.gz IEMNAAUOJIKVDN-HNNXBMFYSA-N 0 0 362.474 2.943 10 0 FFAERN COC(=O)C[C@H](NC(=O)C[C@@H](O)C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000183105011 509598970 /nfs/dbraw/zinc/59/89/70/509598970.db2.gz KJRWTQUMVRHQBE-UONOGXRCSA-N 0 0 361.360 2.833 10 0 FFAERN CN1CC[C@H](NC(=O)Nc2nc3ccccn3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000249091449 509599466 /nfs/dbraw/zinc/59/94/66/509599466.db2.gz UUCUYZSUSLSNJX-GOEBONIOSA-N 0 0 372.379 2.574 10 0 FFAERN CCN(CC)C(=O)CCCC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173446652 509604234 /nfs/dbraw/zinc/60/42/34/509604234.db2.gz IDVFZKXGQQSEOH-AWEZNQCLSA-N 0 0 350.463 2.895 10 0 FFAERN CC(C)c1nc([C@H]2CCCN2C(=O)c2cnn(-c3ccc(F)cc3)n2)no1 ZINC000173446402 509605373 /nfs/dbraw/zinc/60/53/73/509605373.db2.gz GIAVQGCOVWPWKR-OAHLLOKOSA-N 0 0 370.388 2.890 10 0 FFAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000249112310 509607410 /nfs/dbraw/zinc/60/74/10/509607410.db2.gz NDBVHXPAYLSFEL-PMACEKPBSA-N 0 0 366.461 2.951 10 0 FFAERN O=C(NC1CN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)C1)C1CC1 ZINC000189501312 509607748 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C[C@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccc(N(C)C)cn3)CC2)C1 ZINC000193868218 510109279 /nfs/dbraw/zinc/10/92/79/510109279.db2.gz TYZVRXMLHUTCTR-HNNXBMFYSA-N 0 0 373.501 2.650 10 0 FFAERN COc1ccc(OC(F)F)c(NC(=O)N2CCC(n3cncn3)CC2)c1 ZINC000171364671 510109536 /nfs/dbraw/zinc/10/95/36/510109536.db2.gz MNALUJAAWLJIAH-UHFFFAOYSA-N 0 0 367.356 2.757 10 0 FFAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190400633 510110019 /nfs/dbraw/zinc/11/00/19/510110019.db2.gz YCJFRPNEKJKDOX-LBPRGKRZSA-N 0 0 361.515 2.775 10 0 FFAERN Cc1cccc(OCCNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000187186747 510110870 /nfs/dbraw/zinc/11/08/70/510110870.db2.gz HPONNABFOKWBNX-WMZOPIPTSA-N 0 0 360.479 2.853 10 0 FFAERN CCc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2ccc(=O)n(CC)c2)o1 ZINC000190403082 510111223 /nfs/dbraw/zinc/11/12/23/510111223.db2.gz INSOXVZEIUUHMT-INIZCTEOSA-N 0 0 371.437 2.716 10 0 FFAERN CCC[C@H](C)N1C[C@@H](C(=O)N2CCC(Nc3nccs3)CC2)CC1=O ZINC000190404045 510111382 /nfs/dbraw/zinc/11/13/82/510111382.db2.gz PKQBJQCUNKRAHW-KBPBESRZSA-N 0 0 364.515 2.583 10 0 FFAERN CCc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2cccnc2OC)o1 ZINC000190403591 510111461 /nfs/dbraw/zinc/11/14/61/510111461.db2.gz VQKXDBYZJKKXKT-HNNXBMFYSA-N 0 0 357.410 2.938 10 0 FFAERN Cc1cc(Cl)ccc1NC(=O)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177522544 510112713 /nfs/dbraw/zinc/11/27/13/510112713.db2.gz BKVRJRDUXFAMRR-ZDUSSCGKSA-N 0 0 365.842 2.644 10 0 FFAERN Cc1ccc(-c2ncccc2NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)s1 ZINC000187199340 510117284 /nfs/dbraw/zinc/11/72/84/510117284.db2.gz BQIAQJPMIPZZBX-ZIAGYGMSSA-N 0 0 373.478 2.724 10 0 FFAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@](C)(O)C(C)C ZINC000174444998 510117827 /nfs/dbraw/zinc/11/78/27/510117827.db2.gz NRHSMDNNSNRWSY-CRAIPNDOSA-N 0 0 354.878 2.618 10 0 FFAERN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1cccs1 ZINC000171382212 510120093 /nfs/dbraw/zinc/12/00/93/510120093.db2.gz XZPNBFKDJCUNGP-NSHDSACASA-N 0 0 357.435 2.839 10 0 FFAERN Cc1ccc(-c2cnc(CCC(=O)N[C@H]3CCCn4ncnc43)o2)cc1 ZINC000177537912 510121380 /nfs/dbraw/zinc/12/13/80/510121380.db2.gz AMGJVPVVXUSKEL-HNNXBMFYSA-N 0 0 351.410 2.825 10 0 FFAERN C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000187204927 510121744 /nfs/dbraw/zinc/12/17/44/510121744.db2.gz XPBBSRAHCREUSH-NQIIRXRSSA-N 0 0 362.481 2.757 10 0 FFAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)c2nnc3n2CCCC3)cs1 ZINC000187204499 510121979 /nfs/dbraw/zinc/12/19/79/510121979.db2.gz ZNSSYBVWPXYKEH-FZMZJTMJSA-N 0 0 360.487 2.987 10 0 FFAERN COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@@H](C)COC)n1 ZINC000177550807 510127808 /nfs/dbraw/zinc/12/78/08/510127808.db2.gz NPZMYERCZVAMCB-JTQLQIEISA-N 0 0 353.806 2.800 10 0 FFAERN O=C(Nc1cccc(N2CCCNC2=O)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245751891 510129111 /nfs/dbraw/zinc/12/91/11/510129111.db2.gz DHFFSWSEQRYPNY-GVDBMIGSSA-N 0 0 370.453 2.685 10 0 FFAERN Cc1nc(-c2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3CO)cc2)cs1 ZINC000177549622 510129146 /nfs/dbraw/zinc/12/91/46/510129146.db2.gz QTSFKIRLCRZRBI-GOEBONIOSA-N 0 0 373.478 2.724 10 0 FFAERN COC(=O)[C@]1(C)CCN(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000177551703 510129880 /nfs/dbraw/zinc/12/98/80/510129880.db2.gz MYOKJXWKGNBKOW-IFXJQAMLSA-N 0 0 356.426 2.528 10 0 FFAERN Cc1nnc([C@@H](NC(=O)C(=O)Nc2cc(C)ccc2C)c2ccccc2)[nH]1 ZINC000177552741 510130885 /nfs/dbraw/zinc/13/08/85/510130885.db2.gz IMCHFKSQMPXNMN-KRWDZBQOSA-N 0 0 363.421 2.574 10 0 FFAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(Cl)c2F)cn1 ZINC000171399694 510133465 /nfs/dbraw/zinc/13/34/65/510133465.db2.gz CWSRXLMZASICLD-ZDUSSCGKSA-N 0 0 350.781 2.515 10 0 FFAERN CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171400110 510133669 /nfs/dbraw/zinc/13/36/69/510133669.db2.gz PHULBAIWVVBJRE-QGZVFWFLSA-N 0 0 356.426 2.510 10 0 FFAERN CCCN(CCC)C(=O)CCC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190443823 510134677 /nfs/dbraw/zinc/13/46/77/510134677.db2.gz VVWDCYAYHNQZLC-UHFFFAOYSA-N 0 0 366.531 2.975 10 0 FFAERN COCCn1ccc(C(=O)N[C@H](C)c2ccccc2Br)n1 ZINC000190449976 510137486 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2.644 10 0 FFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3C)CCO2)n1 ZINC000193951348 510145595 /nfs/dbraw/zinc/14/55/95/510145595.db2.gz XCKUZSRWWSWFMG-CYBMUJFWSA-N 0 0 356.444 2.661 10 0 FFAERN CC1(C)[C@H](NC(=O)NCc2nnc(-c3ccccc3)s2)[C@@H]2CCO[C@H]21 ZINC000245789440 510146472 /nfs/dbraw/zinc/14/64/72/510146472.db2.gz VRUHRDUNVPZQFZ-NWANDNLSSA-N 0 0 358.467 2.818 10 0 FFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3cc(C)sc3C)CCO2)n1 ZINC000193951208 510146488 /nfs/dbraw/zinc/14/64/88/510146488.db2.gz RWTXMTFZQMDFQY-GFCCVEGCSA-N 0 0 358.510 2.892 10 0 FFAERN C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000190465099 510147203 /nfs/dbraw/zinc/14/72/03/510147203.db2.gz JUIWQVKXUYEYHG-KSSFIOAISA-N 0 0 353.422 2.765 10 0 FFAERN Cc1cccc(OCCC(=O)N2CCC(c3nc(N(C)C)no3)CC2)c1 ZINC000193954443 510147253 /nfs/dbraw/zinc/14/72/53/510147253.db2.gz LQJZSBLGPVKYAA-UHFFFAOYSA-N 0 0 358.442 2.619 10 0 FFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3ccc(C)c(C)c3)CCO2)n1 ZINC000193953927 510147312 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CC(=O)NC1CN(C(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000190488200 510161586 /nfs/dbraw/zinc/16/15/86/510161586.db2.gz RNAYUSSPVQLPJN-UHFFFAOYSA-N 0 0 365.271 2.608 10 0 FFAERN CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2CCCn3ncnc32)n1 ZINC000177616754 510162235 /nfs/dbraw/zinc/16/22/35/510162235.db2.gz BSKVXBGLJPCPSU-AWEZNQCLSA-N 0 0 366.425 2.891 10 0 FFAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2CSCCS2)c2ccc(F)cc2C1 ZINC000184163717 510168559 /nfs/dbraw/zinc/16/85/59/510168559.db2.gz OWZLADZVGSEKOH-HOTGVXAUSA-N 0 0 368.499 2.584 10 0 FFAERN COc1ccccc1CCNC(=O)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000194003483 510170746 /nfs/dbraw/zinc/17/07/46/510170746.db2.gz NMAFCIKBAFDAGN-INIZCTEOSA-N 0 0 361.467 2.786 10 0 FFAERN CCn1cc([C@@H]2CN(C(=O)NC3C4CC5CC(C4)CC3C5)CCO2)cn1 ZINC000190508933 510173472 /nfs/dbraw/zinc/17/34/72/510173472.db2.gz NLIICOKISWOZJI-CAWLCXJGSA-N 0 0 358.486 2.811 10 0 FFAERN COC(=O)[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC000171469097 510178251 /nfs/dbraw/zinc/17/82/51/510178251.db2.gz GJRJUWVQNPBOKH-CQSZACIVSA-N 0 0 365.857 2.800 10 0 FFAERN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)o1 ZINC000190515880 510179502 /nfs/dbraw/zinc/17/95/02/510179502.db2.gz MOVVJQZTRYOFEU-BBRMVZONSA-N 0 0 359.401 2.888 10 0 FFAERN O=C(Nc1c[nH]nc1-c1ccccc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000184182967 510179760 /nfs/dbraw/zinc/17/97/60/510179760.db2.gz BJYDYEMMQWQVIK-OAHLLOKOSA-N 0 0 362.389 2.655 10 0 FFAERN CC(C)(CNC(=O)NC1CCN(c2ncccn2)CC1)c1ccc(F)cc1 ZINC000171472554 510179897 /nfs/dbraw/zinc/17/98/97/510179897.db2.gz HTOIYQZACCBOHJ-UHFFFAOYSA-N 0 0 371.460 2.862 10 0 FFAERN C[C@@H](NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1)c1ccc(F)c(F)c1 ZINC000184187051 510181139 /nfs/dbraw/zinc/18/11/39/510181139.db2.gz LNHRUAPFBCLLCO-SNVBAGLBSA-N 0 0 371.347 2.566 10 0 FFAERN COc1ccccc1S(=O)(=O)CCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000184188552 510183458 /nfs/dbraw/zinc/18/34/58/510183458.db2.gz CEQCRYNMYGKMJG-HOTGVXAUSA-N 0 0 353.484 2.502 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2SC)C1 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ZNJKEPFDJOUIDO-KSSFIOAISA-N 0 0 364.511 2.837 10 0 FFAERN CC[C@@H]1CN(C(=O)[C@H](NC(=O)c2ccccc2OC)C(C)C)CCS1 ZINC000174797360 510316969 /nfs/dbraw/zinc/31/69/69/510316969.db2.gz IIMSGPWRVQWRCX-RHSMWYFYSA-N 0 0 364.511 2.804 10 0 FFAERN CCn1cc([C@@H]2CN(CC(=O)Nc3ccc(F)c(Cl)c3)CCO2)cn1 ZINC000190736649 510317697 /nfs/dbraw/zinc/31/76/97/510317697.db2.gz UYDVXPZDPSWOMF-INIZCTEOSA-N 0 0 366.824 2.708 10 0 FFAERN CCn1cnc2c(c1=O)CCN(C(=O)/C=C(\C)c1cccc(Cl)c1)C2 ZINC000194333310 510319055 /nfs/dbraw/zinc/31/90/55/510319055.db2.gz YTDRUNFIQHUEBR-UKTHLTGXSA-N 0 0 357.841 2.905 10 0 FFAERN CC1(C)CN(C(=O)c2cnc3ccccn3c2=O)CC[C@H]1C(F)(F)F ZINC000190740330 510319276 /nfs/dbraw/zinc/31/92/76/510319276.db2.gz KEBBNYCHWQTBKN-GFCCVEGCSA-N 0 0 353.344 2.745 10 0 FFAERN C[C@H]1CCN(C(=O)CN2CCC[C@H](n3cncn3)C2)c2ccccc2S1 ZINC000171704555 510319298 /nfs/dbraw/zinc/31/92/98/510319298.db2.gz AMRYKKGQZNFNBJ-HOTGVXAUSA-N 0 0 371.510 2.833 10 0 FFAERN C[C@H](NC(=O)N[C@H]1CCCC[C@H]1CO)c1nc(-c2cccc(F)c2)no1 ZINC000246145138 510319492 /nfs/dbraw/zinc/31/94/92/510319492.db2.gz GTTZGTJMOOKDOB-WHOFXGATSA-N 0 0 362.405 2.787 10 0 FFAERN O=C(CN1CCC[C@H](n2cncn2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000171704208 510319695 /nfs/dbraw/zinc/31/96/95/510319695.db2.gz IUTYXGUYFXOPFX-AWEZNQCLSA-N 0 0 353.348 2.573 10 0 FFAERN O=C(NCc1cccnc1-n1cccn1)N1CCO[C@@H](c2cccs2)C1 ZINC000177914579 510322830 /nfs/dbraw/zinc/32/28/30/510322830.db2.gz LHWHGXCBGDCYLJ-OAHLLOKOSA-N 0 0 369.450 2.612 10 0 FFAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2cnn(C(C)(C)C)c2)C12CCOCC2 ZINC000184437215 510323685 /nfs/dbraw/zinc/32/36/85/510323685.db2.gz QJXQTFXIINFUBZ-HUUCEWRRSA-N 0 0 350.463 2.734 10 0 FFAERN COC(=O)C1CCC(C(=O)O[C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000181255774 510325472 /nfs/dbraw/zinc/32/54/72/510325472.db2.gz PSNSCTMDIINRTK-WLYUNCDWSA-N 0 0 357.410 2.851 10 0 FFAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@H](OC)c1cccc(Cl)c1 ZINC000184458169 510334585 /nfs/dbraw/zinc/33/45/85/510334585.db2.gz MDMUCRKVIXNCAX-SJORKVTESA-N 0 0 354.878 2.645 10 0 FFAERN CCNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c(C)c1 ZINC000184461011 510334761 /nfs/dbraw/zinc/33/47/61/510334761.db2.gz QTIIYNFHBMMIPF-HNNXBMFYSA-N 0 0 356.430 2.622 10 0 FFAERN CCCCN1CCOC[C@@H]1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000184458735 510335069 /nfs/dbraw/zinc/33/50/69/510335069.db2.gz NHQGYJLFZWDEFA-QFBILLFUSA-N 0 0 356.470 2.550 10 0 FFAERN CN(C(=O)[C@H]1CSc2ccccc21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000246169592 510335263 /nfs/dbraw/zinc/33/52/63/510335263.db2.gz PLFCYUSPYWWZCA-ZBFHGGJFSA-N 0 0 354.479 2.793 10 0 FFAERN CCn1cc([C@@H]2CN(CC(=O)Nc3nc4ccccc4s3)CCO2)cn1 ZINC000190774070 510337027 /nfs/dbraw/zinc/33/70/27/510337027.db2.gz ZXGHYAROWXUDHU-HNNXBMFYSA-N 0 0 371.466 2.525 10 0 FFAERN CC(=O)NC(C)(C)c1noc([C@H]2CCN(c3cccc(Cl)c3)C2=O)n1 ZINC000174850289 510343292 /nfs/dbraw/zinc/34/32/92/510343292.db2.gz OWZVMWFCDNOPTJ-CYBMUJFWSA-N 0 0 362.817 2.615 10 0 FFAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000174853464 510344018 /nfs/dbraw/zinc/34/40/18/510344018.db2.gz JKHALYJZKXXQNA-INIZCTEOSA-N 0 0 365.430 2.710 10 0 FFAERN COC(=O)C[C@H](NC(=O)Nc1cnn(CC(F)F)c1)c1ccccc1 ZINC000174853399 510344833 /nfs/dbraw/zinc/34/48/33/510344833.db2.gz SJLHDZUXESZMCR-ZDUSSCGKSA-N 0 0 352.341 2.574 10 0 FFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](C)[C@H]1COc3ccccc31)CC2 ZINC000246184380 510346616 /nfs/dbraw/zinc/34/66/16/510346616.db2.gz DFKOSEXDSMEYAB-IIAWOOMASA-N 0 0 369.469 2.580 10 0 FFAERN CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000171750638 510347483 /nfs/dbraw/zinc/34/74/83/510347483.db2.gz RTFYDRZMGADTNT-NXXSPTCGSA-N 0 0 353.422 2.664 10 0 FFAERN CCn1cc([C@@H]2CN([C@@H](C)C(=O)NCCC3=CCCCC3)CCO2)cn1 ZINC000190800584 510350535 /nfs/dbraw/zinc/35/05/35/510350535.db2.gz NZFQFSFMOMJGQT-LPHOPBHVSA-N 0 0 360.502 2.672 10 0 FFAERN O=C(CCNC(=O)c1ccco1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174862701 510350935 /nfs/dbraw/zinc/35/09/35/510350935.db2.gz RYNHFJAURUMJLY-DLBZAZTESA-N 0 0 356.422 2.514 10 0 FFAERN O=C(Nc1cccc(N2CCCC2=O)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246192722 510351337 /nfs/dbraw/zinc/35/13/37/510351337.db2.gz TZIFBGWTKWPFSC-CGTJXYLNSA-N 0 0 355.438 2.893 10 0 FFAERN Cc1ccn2ncc(C(=O)N3CCC[C@H]3C[C@@H](O)c3ccccc3)c2n1 ZINC000174866095 510353267 /nfs/dbraw/zinc/35/32/67/510353267.db2.gz QKOHUGAEVRJCGM-FUHWJXTLSA-N 0 0 350.422 2.766 10 0 FFAERN CCCOc1ccccc1NC(=O)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177975929 510353766 /nfs/dbraw/zinc/35/37/66/510353766.db2.gz KCMKUWKRQUPZBC-INIZCTEOSA-N 0 0 370.453 2.610 10 0 FFAERN CCCCN1CCOC[C@@H]1C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000184490551 510353858 /nfs/dbraw/zinc/35/38/58/510353858.db2.gz BWEGVHKDZXGXSF-FXAWDEMLSA-N 0 0 359.514 2.965 10 0 FFAERN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190808722 510354030 /nfs/dbraw/zinc/35/40/30/510354030.db2.gz JGUOHQURNYJMDL-FXAWDEMLSA-N 0 0 370.497 2.714 10 0 FFAERN CN(Cc1ncc(Cl)n1C)C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000181328324 510359036 /nfs/dbraw/zinc/35/90/36/510359036.db2.gz VALOFCSAPDGFSL-OLZOCXBDSA-N 0 0 350.854 2.595 10 0 FFAERN CCc1cccc(C)c1NC(=O)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177983043 510360306 /nfs/dbraw/zinc/36/03/06/510360306.db2.gz LDNHRVWSLWDGGN-KRWDZBQOSA-N 0 0 354.454 2.692 10 0 FFAERN COc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000174877655 510362205 /nfs/dbraw/zinc/36/22/05/510362205.db2.gz APMQMOILUPZWTA-PKOBYXMFSA-N 0 0 368.433 2.748 10 0 FFAERN O=C(c1cncc(Br)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187635260 510364208 /nfs/dbraw/zinc/36/42/08/510364208.db2.gz WDDJXYNJNWCWFA-JSGCOSHPSA-N 0 0 367.268 2.754 10 0 FFAERN O=C(Nc1ccc2cccc(Cl)c2n1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000181339372 510364769 /nfs/dbraw/zinc/36/47/69/510364769.db2.gz GRKIAWICDVCKOX-LLVKDONJSA-N 0 0 355.785 2.603 10 0 FFAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)NC[C@@H]1CCOc2ccccc21 ZINC000171780382 510366604 /nfs/dbraw/zinc/36/66/04/510366604.db2.gz ROHQEXRVKDMAFD-WMLDXEAASA-N 0 0 365.433 2.978 10 0 FFAERN O=C(CNC(=O)c1ccccc1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174885341 510366688 /nfs/dbraw/zinc/36/66/88/510366688.db2.gz DSHPJTPAZZSIJE-MOPGFXCFSA-N 0 0 352.434 2.531 10 0 FFAERN O=C(CNC(=O)c1ccccc1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174885298 510367231 /nfs/dbraw/zinc/36/72/31/510367231.db2.gz DSHPJTPAZZSIJE-RBUKOAKNSA-N 0 0 352.434 2.531 10 0 FFAERN CN(C)c1noc([C@H]2CCCN(C(=O)/C=C/c3c(F)cccc3F)C2)n1 ZINC000194456158 510373164 /nfs/dbraw/zinc/37/31/64/510373164.db2.gz VPSQLJTZBBPLNO-BCPZQOPPSA-N 0 0 362.380 2.833 10 0 FFAERN C[C@H](NC(=O)Nc1ccccc1N1CCCC1=O)c1nnc2n1CCCC2 ZINC000178014703 510377330 /nfs/dbraw/zinc/37/73/30/510377330.db2.gz XOFDZZVRUOACPD-ZDUSSCGKSA-N 0 0 368.441 2.624 10 0 FFAERN CC(C)N1CC[C@H](NC(=O)CC(=O)N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181370043 510378356 /nfs/dbraw/zinc/37/83/56/510378356.db2.gz BJMIVIGBMCZHRY-YJBOKZPZSA-N 0 0 369.868 2.597 10 0 FFAERN CCC(=O)Nc1cccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000187673842 510381709 /nfs/dbraw/zinc/38/17/09/510381709.db2.gz ACKMZVINSHHAIC-RDJZCZTQSA-N 0 0 358.463 2.945 10 0 FFAERN COc1ccc(OC)c(CC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000187678773 510383956 /nfs/dbraw/zinc/38/39/56/510383956.db2.gz NEXVUQJSJYSAET-RDJZCZTQSA-N 0 0 361.463 2.542 10 0 FFAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1csc(-c2cnccn2)n1 ZINC000171819369 510390082 /nfs/dbraw/zinc/39/00/82/510390082.db2.gz NTXGGTZZBVTYEW-HNNXBMFYSA-N 0 0 368.466 2.928 10 0 FFAERN C[C@@H](CC(=O)N[C@H]1CCCN(c2cccnn2)C1)C(=O)c1cccc(F)c1 ZINC000174929600 510391578 /nfs/dbraw/zinc/39/15/78/510391578.db2.gz QMEMQIWOZNJWLX-YOEHRIQHSA-N 0 0 370.428 2.610 10 0 FFAERN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171822251 510391713 /nfs/dbraw/zinc/39/17/13/510391713.db2.gz RVZZTNZINAHCFN-QWHCGFSZSA-N 0 0 368.359 2.928 10 0 FFAERN Cc1ccc(C)n1-c1nc(CC(=O)N2CCC[C@@H](n3cncn3)C2)cs1 ZINC000171821806 510391832 /nfs/dbraw/zinc/39/18/32/510391832.db2.gz FZZWRXHLMXWEBJ-MRXNPFEDSA-N 0 0 370.482 2.548 10 0 FFAERN Cc1cnn([C@H]2CCCN(C(=O)[C@@H]3CCCN(CC(F)(F)F)C3)C2)c1 ZINC000171823510 510393288 /nfs/dbraw/zinc/39/32/88/510393288.db2.gz OVZQSSUUZSULCR-CABCVRRESA-N 0 0 358.408 2.629 10 0 FFAERN O=C(c1ccc(N2CCOC2=O)cc1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187702241 510393695 /nfs/dbraw/zinc/39/36/95/510393695.db2.gz SANPJLXBXZVXGR-RDJZCZTQSA-N 0 0 372.446 2.553 10 0 FFAERN COC[C@@H](NC(=O)N[C@H]1CCCn2nc(C)nc21)c1ccc(Cl)cc1 ZINC000194497685 510395102 /nfs/dbraw/zinc/39/51/02/510395102.db2.gz ZDQMUWLVARNCPG-LSDHHAIUSA-N 0 0 363.849 2.762 10 0 FFAERN CSc1ccc(CNC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000171841286 510403225 /nfs/dbraw/zinc/40/32/25/510403225.db2.gz HZTJPMMZLJUHSP-MRXNPFEDSA-N 0 0 360.483 2.524 10 0 FFAERN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)[C@@H](C)CO1 ZINC000246278988 510403304 /nfs/dbraw/zinc/40/33/04/510403304.db2.gz VNKNKNWFPFRGSE-GXTWGEPZSA-N 0 0 369.874 2.533 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)CC2 ZINC000194514000 510403593 /nfs/dbraw/zinc/40/35/93/510403593.db2.gz LWINURWYIHIDPY-JTQLQIEISA-N 0 0 352.797 2.644 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](Cc1ccc(F)cc1)C(C)C)CC2 ZINC000174960608 510407221 /nfs/dbraw/zinc/40/72/21/510407221.db2.gz KEMPYDMRYQYTTD-IAGOWNOFSA-N 0 0 373.476 2.861 10 0 FFAERN C[C@H](NC(=O)c1cnc2c(c1)nnn2C)c1ccccc1Br ZINC000181439167 510409218 /nfs/dbraw/zinc/40/92/18/510409218.db2.gz FRPWJEMYNDDQGN-VIFPVBQESA-N 0 0 360.215 2.617 10 0 FFAERN Cc1cc(CCNC(=O)N2CCC(Nc3cccnn3)CC2)cc(C)c1O ZINC000190911666 510411300 /nfs/dbraw/zinc/41/13/00/510411300.db2.gz HASSIPXKJXZNGZ-UHFFFAOYSA-N 0 0 369.469 2.628 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cc(C(CC)CC)no1)CC2 ZINC000174969721 510412534 /nfs/dbraw/zinc/41/25/34/510412534.db2.gz MBMCZBMFECHSOH-ZDUSSCGKSA-N 0 0 360.462 2.546 10 0 FFAERN O=C(C[C@H]1C(=O)Nc2ccccc21)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174971503 510412932 /nfs/dbraw/zinc/41/29/32/510412932.db2.gz WAFNYARYZBGRPK-CQSZACIVSA-N 0 0 366.421 2.959 10 0 FFAERN CC(=O)NCc1ccc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)s1 ZINC000174976707 510414897 /nfs/dbraw/zinc/41/48/97/510414897.db2.gz GJYARCVSCSEGAT-UHFFFAOYSA-N 0 0 374.466 2.844 10 0 FFAERN Cc1noc([C@H](C)N2CCN(C(=O)/C=C/Sc3ccccc3)CC2)n1 ZINC000171857324 510414983 /nfs/dbraw/zinc/41/49/83/510414983.db2.gz HXLTXQDDAGCILG-CZAWJFPGSA-N 0 0 358.467 2.889 10 0 FFAERN O=C(Cc1ccc(-n2cccn2)cc1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187749049 510416234 /nfs/dbraw/zinc/41/62/34/510416234.db2.gz YPYQFSHNROOYJZ-HKUYNNGSSA-N 0 0 367.474 2.711 10 0 FFAERN COC(=O)c1ccc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)cc1 ZINC000174979068 510416508 /nfs/dbraw/zinc/41/65/08/510416508.db2.gz QTRVADPOOJFSAA-UHFFFAOYSA-N 0 0 355.394 2.933 10 0 FFAERN CC[C@H](CC(=O)N1CCCN(Cc2noc(C)n2)CC1)c1ccccc1 ZINC000171863365 510417654 /nfs/dbraw/zinc/41/76/54/510417654.db2.gz BILINBYMEAKVEH-QGZVFWFLSA-N 0 0 356.470 2.996 10 0 FFAERN O=C(NC1(c2noc(C3CC3)n2)CCCC1)[C@@H]1Cc2cc(F)ccc2O1 ZINC000174981767 510418628 /nfs/dbraw/zinc/41/86/28/510418628.db2.gz ZYNIHIBHAOJSJL-HNNXBMFYSA-N 0 0 357.385 2.975 10 0 FFAERN O=C(Nc1ncn(C2CCCCC2)n1)N1CC[C@H](Oc2cccnc2)C1 ZINC000184616827 510419157 /nfs/dbraw/zinc/41/91/57/510419157.db2.gz DDCUAYHVRKEKKA-INIZCTEOSA-N 0 0 356.430 2.864 10 0 FFAERN O=C(c1cnc(-c2ccncc2)s1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000178082181 510422230 /nfs/dbraw/zinc/42/22/30/510422230.db2.gz UVJMKXWZPFKBKF-OAHLLOKOSA-N 0 0 352.419 2.894 10 0 FFAERN O=C(Cc1cc(F)c(F)cc1F)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187761056 510423010 /nfs/dbraw/zinc/42/30/10/510423010.db2.gz DMYFXSIAGZJRQZ-STQMWFEESA-N 0 0 355.381 2.942 10 0 FFAERN CC(C)(C)C(=O)NCCCC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174990759 510424546 /nfs/dbraw/zinc/42/45/46/510424546.db2.gz RMVJVRVYJIPIKA-UHFFFAOYSA-N 0 0 362.474 2.775 10 0 FFAERN CC[C@@H]1CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C[C@H](C)O1 ZINC000171878433 510425605 /nfs/dbraw/zinc/42/56/05/510425605.db2.gz JVGADKCSDNSQTA-DZGCQCFKSA-N 0 0 350.484 2.626 10 0 FFAERN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)C(=O)Nc2cn(C)nc2C)o1 ZINC000187769197 510425738 /nfs/dbraw/zinc/42/57/38/510425738.db2.gz MXYZGQRBZHLAGV-MLGOLLRUSA-N 0 0 358.442 2.822 10 0 FFAERN CCn1c(C)nnc1C[S@](=O)c1cc(Br)ccc1OC ZINC000194569636 510427524 /nfs/dbraw/zinc/42/75/24/510427524.db2.gz VWXSERDALQOAAD-FQEVSTJZSA-N 0 0 358.261 2.685 10 0 FFAERN CCC[C@@H](C)N1C[C@@H](C(=O)NC2(c3noc(C4CC4)n3)CCCC2)CC1=O ZINC000175002433 510430913 /nfs/dbraw/zinc/43/09/13/510430913.db2.gz BYPAEPLHCOUSRU-HIFRSBDPSA-N 0 0 374.485 2.870 10 0 FFAERN Cc1noc([C@@H](C)N2CCN(C(=O)Nc3ccc(Cl)nc3C)CC2)n1 ZINC000194578438 510431811 /nfs/dbraw/zinc/43/18/11/510431811.db2.gz NMLDZGXNJYBMMH-LLVKDONJSA-N 0 0 364.837 2.646 10 0 FFAERN Cc1cc(N2CCC[C@H](NC(=O)C(C)(C)Cc3ccccc3)C2=O)n(C)n1 ZINC000175011937 510435748 /nfs/dbraw/zinc/43/57/48/510435748.db2.gz ANZFCSZFBRGHBA-KRWDZBQOSA-N 0 0 368.481 2.609 10 0 FFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCc3ccc(Cl)s3)CCO2)n1 ZINC000171901820 510439174 /nfs/dbraw/zinc/43/91/74/510439174.db2.gz ZRTRLKHVKMZRCS-CYBMUJFWSA-N 0 0 368.890 2.825 10 0 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/nfs/dbraw/zinc/30/58/07/516305807.db2.gz DDEQYVJMRQOCPD-IRXDYDNUSA-N 0 0 360.433 2.703 10 0 FFAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](O)(Cc2nc(C(C)(F)F)no2)C1 ZINC000536954049 516989510 /nfs/dbraw/zinc/98/95/10/516989510.db2.gz JWZMZEKOFKWVOA-HWPZZCPQSA-N 0 0 361.389 2.922 10 0 FFAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cccc(F)c1I ZINC000533392123 517441319 /nfs/dbraw/zinc/44/13/19/517441319.db2.gz KEUPFPISIHNJPV-DTORHVGOSA-N 0 0 363.170 2.680 10 0 FFAERN CCOC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C(=O)OC)c1 ZINC000527391581 517673609 /nfs/dbraw/zinc/67/36/09/517673609.db2.gz FIIBBYZCJUSBDE-KRWDZBQOSA-N 0 0 355.390 2.834 10 0 FFAERN O=C([O-])[C@]1(C(F)(F)F)C[NH2+]C[C@@H]1Cc1ccccc1Br ZINC000521400627 517713781 /nfs/dbraw/zinc/71/37/81/517713781.db2.gz BSSYPRAFUDBVDA-CABZTGNLSA-N 0 0 352.150 2.844 10 0 FFAERN NC(=O)c1ccc(Br)c(Cl)c1I ZINC000575674616 518246953 /nfs/dbraw/zinc/24/69/53/518246953.db2.gz CQDIQEQKMBUOLS-UHFFFAOYSA-N 0 0 360.376 2.806 10 0 FFAERN NS(=O)(=O)c1cc(Br)c(OC(F)F)cc1C(F)F 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2.510 10 0 FFAERN CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2S(N)(=O)=O)cc1 ZINC000616615947 520077802 /nfs/dbraw/zinc/07/78/02/520077802.db2.gz YWLHFWTXJSSVJW-OAHLLOKOSA-N 0 0 369.487 2.788 10 0 FFAERN O=S(=O)(c1ccccc1)N1CCCO[C@@H](c2cccc3ccnnc32)C1 ZINC000616659762 520087151 /nfs/dbraw/zinc/08/71/51/520087151.db2.gz QVUZTAGHRABUQD-GOSISDBHSA-N 0 0 369.446 2.782 10 0 FFAERN CCCn1cc(C(=O)N[C@H](c2nc(C(C)C)no2)C2CCOCC2)cn1 ZINC000275459243 521648191 /nfs/dbraw/zinc/64/81/91/521648191.db2.gz WVZMFYCIZLNXEJ-HNNXBMFYSA-N 0 0 361.446 2.697 10 0 FFAERN Cc1noc([C@H]2CN(Cc3cnc4c(cnn4C(C)C)c3)C[C@@H](C)O2)n1 ZINC000625908756 521777597 /nfs/dbraw/zinc/77/75/97/521777597.db2.gz SMRITRFPUWHCGQ-MLGOLLRUSA-N 0 0 356.430 2.666 10 0 FFAERN CCc1nc([C@@H]2CCCN2CC(=O)NC2C3CC4CC(C3)CC2C4)no1 ZINC000624317489 522604811 /nfs/dbraw/zinc/60/48/11/522604811.db2.gz UCKWMLIWUCRPMX-INCKADGYSA-N 0 0 358.486 2.710 10 0 FFAERN C/C=C1/CN(C)[C@H]2Cc3c4cc(OC)ccc4[nH]c3C(=O)C[C@H]1[C@@H]2CO ZINC000261492896 526308902 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C[C@H](C[C@H](O)c1ccco1)NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000152228701 728752164 /nfs/dbraw/zinc/75/21/64/728752164.db2.gz ONZUGKXTBRRKRI-PVXIVEMSSA-N 0 0 360.435 2.711 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(OC)c(Cl)c1 ZINC000152233679 728752744 /nfs/dbraw/zinc/75/27/44/728752744.db2.gz GKZDDFBKIUNHHQ-CYBMUJFWSA-N 0 0 363.849 2.837 10 0 FFAERN COc1ccccc1N1CC[C@H](NS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000153040210 728771083 /nfs/dbraw/zinc/77/10/83/728771083.db2.gz COBVCHJHKCZRSZ-VSOYFRJCSA-N 0 0 358.463 2.864 10 0 FFAERN C[NH+](C)C[C@H]1CN(Cn2nc(-c3ccc(Cl)cc3)oc2=S)CCO1 ZINC000152970301 728769632 /nfs/dbraw/zinc/76/96/32/728769632.db2.gz DMGZNNXNHNTBDL-AWEZNQCLSA-N 0 0 368.890 2.746 10 0 FFAERN CN(CCC1CCOCC1)C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000154562613 728807069 /nfs/dbraw/zinc/80/70/69/728807069.db2.gz PCXYHLOYAWGTTB-JKSUJKDBSA-N 0 0 354.491 2.955 10 0 FFAERN C[C@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Br ZINC000155922353 728838501 /nfs/dbraw/zinc/83/85/01/728838501.db2.gz LZQBTFTXEPQFCW-XQQFMLRXSA-N 0 0 355.276 2.736 10 0 FFAERN O=C(CCNC(=O)OCC(F)(F)F)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157922314 728879265 /nfs/dbraw/zinc/87/92/65/728879265.db2.gz AEDQBGHASCGVMR-CYBMUJFWSA-N 0 0 362.323 2.998 10 0 FFAERN Cn1cc([C@@H]2CCCN2Cn2nc(-c3ccccn3)n(C)c2=S)cn1 ZINC000158632203 728891688 /nfs/dbraw/zinc/89/16/88/728891688.db2.gz UNXNTFOXDZRRTQ-HNNXBMFYSA-N 0 0 355.471 2.541 10 0 FFAERN CCOC(=O)N1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159699912 728910877 /nfs/dbraw/zinc/91/08/77/728910877.db2.gz WONNIDUDMFBRFH-HNNXBMFYSA-N 0 0 351.834 2.607 10 0 FFAERN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000017326790 727828591 /nfs/dbraw/zinc/82/85/91/727828591.db2.gz XADWZDOBQVXRBN-KBPBESRZSA-N 0 0 360.483 2.942 10 0 FFAERN C[C@@]12CCC(=O)N1[C@@H](C(=O)Oc1ccc(F)cc1Br)CS2 ZINC000044672691 727990594 /nfs/dbraw/zinc/99/05/94/727990594.db2.gz FAGXDVQPAZVLGB-QMTHXVAHSA-N 0 0 374.231 2.948 10 0 FFAERN C[C@]12CCC(=O)N1[C@@H](C(=O)Oc1ccc(F)cc1Br)CS2 ZINC000044672692 727990711 /nfs/dbraw/zinc/99/07/11/727990711.db2.gz FAGXDVQPAZVLGB-YGRLFVJLSA-N 0 0 374.231 2.948 10 0 FFAERN O=C(NCCc1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000045595829 728005149 /nfs/dbraw/zinc/00/51/49/728005149.db2.gz CAJFLIWXQGNGRH-MRXNPFEDSA-N 0 0 362.426 2.586 10 0 FFAERN CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000051162311 728067372 /nfs/dbraw/zinc/06/73/72/728067372.db2.gz AIOSLTZIQFIVCP-GWKQRERASA-N 0 0 350.484 2.615 10 0 FFAERN CCS(=O)(=O)N1CCC(C(=O)O[C@@H]2CCCc3ccccc32)CC1 ZINC000061203772 728125208 /nfs/dbraw/zinc/12/52/08/728125208.db2.gz KXNHODVOZFZVJD-QGZVFWFLSA-N 0 0 351.468 2.669 10 0 FFAERN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F ZINC000068776733 728193427 /nfs/dbraw/zinc/19/34/27/728193427.db2.gz FBSZMMSHMUGEGV-ZIAGYGMSSA-N 0 0 364.442 2.678 10 0 FFAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000075528540 728249136 /nfs/dbraw/zinc/24/91/36/728249136.db2.gz 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O=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102915014 250126061 /nfs/dbraw/zinc/12/60/61/250126061.db2.gz ZRBZGARTYBOOHW-QGZVFWFLSA-N 0 0 362.389 2.973 10 0 FFAERN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCCC1(C)C ZINC000102918668 250127288 /nfs/dbraw/zinc/12/72/88/250127288.db2.gz FFNMLQJNRYISJB-UHFFFAOYSA-N 0 0 360.483 2.844 10 0 FFAERN C[C@@H](NC(=O)C(C)(C)c1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000103063677 250133313 /nfs/dbraw/zinc/13/33/13/250133313.db2.gz LVSZHLKEOGINQK-GFCCVEGCSA-N 0 0 364.442 2.628 10 0 FFAERN CC(C)(C)OC(=O)NCCNC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103182220 250138125 /nfs/dbraw/zinc/13/81/25/250138125.db2.gz MOOHFRFEEDXHSJ-KRWDZBQOSA-N 0 0 370.453 2.995 10 0 FFAERN COC[C@@H](C)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000103432019 250149379 /nfs/dbraw/zinc/14/93/79/250149379.db2.gz NIOQSTUBYGWUHY-CHWSQXEVSA-N 0 0 355.276 2.674 10 0 FFAERN Cc1nnc([C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)[nH]1 ZINC000103281760 250142405 /nfs/dbraw/zinc/14/24/05/250142405.db2.gz ABRSGRMTZFPTPK-SFHVURJKSA-N 0 0 361.405 2.517 10 0 FFAERN COc1ccc(NC(=O)CCN2CCO[C@@H](c3nc(C)cs3)C2)cc1 ZINC000103473185 250152521 /nfs/dbraw/zinc/15/25/21/250152521.db2.gz IZOOISGCYLTOJI-MRXNPFEDSA-N 0 0 361.467 2.862 10 0 FFAERN CCn1cnnc1[C@H]1CCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000103476096 250153401 /nfs/dbraw/zinc/15/34/01/250153401.db2.gz WJLMOOZMAKLCLY-SFHVURJKSA-N 0 0 350.470 2.922 10 0 FFAERN CCn1cnnc1[C@H]1CCCN(CC(=O)NCCCC2CCCCC2)C1 ZINC000103475749 250154130 /nfs/dbraw/zinc/15/41/30/250154130.db2.gz SBURXSWSNYIJCA-SFHVURJKSA-N 0 0 361.534 2.954 10 0 FFAERN CCn1cnnc1[C@@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 ZINC000103476017 250154553 /nfs/dbraw/zinc/15/45/53/250154553.db2.gz JQVXSSPACNGEFP-MRXNPFEDSA-N 0 0 352.442 2.651 10 0 FFAERN O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1cc(-c2ccncc2)[nH]n1 ZINC000104876720 250189256 /nfs/dbraw/zinc/18/92/56/250189256.db2.gz KHGJVGVHCLTZGZ-UHFFFAOYSA-N 0 0 361.405 2.928 10 0 FFAERN Cc1oc(-c2ccsc2)nc1CC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104912515 250189453 /nfs/dbraw/zinc/18/94/53/250189453.db2.gz AKGYXQQJVDLGTI-INIZCTEOSA-N 0 0 356.447 2.974 10 0 FFAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC[C@H](O)Cc2ccccc2)cc1 ZINC000104915119 250190363 /nfs/dbraw/zinc/19/03/63/250190363.db2.gz ITZMTRAEPFJHBH-NIKGAXFTSA-N 0 0 352.434 2.615 10 0 FFAERN CCCN(CCc1ccccn1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000104988449 250190930 /nfs/dbraw/zinc/19/09/30/250190930.db2.gz QDDMVFMEFAWQNZ-UHFFFAOYSA-N 0 0 361.467 2.972 10 0 FFAERN O=C(NC[C@@H](O)Cc1ccccc1)Nc1cccc(N2CCCC2=O)c1 ZINC000104986282 250191876 /nfs/dbraw/zinc/19/18/76/250191876.db2.gz VBDFPJWXBDBPBL-SFHVURJKSA-N 0 0 353.422 2.539 10 0 FFAERN O=C(NC[C@@H](O)Cc1ccccc1)Nc1cccc(N2CCCCC2=O)c1 ZINC000104996250 250192957 /nfs/dbraw/zinc/19/29/57/250192957.db2.gz KHHXSPFFNXKCQH-IBGZPJMESA-N 0 0 367.449 2.929 10 0 FFAERN CC(C)(C)NC(=O)C[S@](=O)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000105679276 250220642 /nfs/dbraw/zinc/22/06/42/250220642.db2.gz OLPWWGZDVPXLEL-HSZRJFAPSA-N 0 0 355.847 2.553 10 0 FFAERN Cc1cccc(-c2noc(C[S@@](=O)[C@H](C)C(=O)NC3CCCC3)n2)c1 ZINC000105689804 250221626 /nfs/dbraw/zinc/22/16/26/250221626.db2.gz VMKJHKITMYTEIT-SHZVTRLKSA-N 0 0 361.467 2.741 10 0 FFAERN CC(=O)N1CCC(CNC(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 ZINC000105243188 250205251 /nfs/dbraw/zinc/20/52/51/250205251.db2.gz PDWOOOOSJYEWPQ-HXUWFJFHSA-N 0 0 366.465 2.729 10 0 FFAERN CCN(C(=O)[C@H](C)N1CCCN(c2ccc(C)nn2)CC1)c1ccccc1 ZINC000106072950 250231137 /nfs/dbraw/zinc/23/11/37/250231137.db2.gz ULVBXSSXNJCGTP-SFHVURJKSA-N 0 0 367.497 2.739 10 0 FFAERN CSc1ccc(NC(=O)[C@H](C)N2CCCN(c3cccnn3)CC2)cc1 ZINC000106069687 250231482 /nfs/dbraw/zinc/23/14/82/250231482.db2.gz RPJDDKVISBVANK-HNNXBMFYSA-N 0 0 371.510 2.738 10 0 FFAERN COC(=O)c1cc(F)ccc1CN1CCC(N(C)c2cccnn2)CC1 ZINC000106083265 250233745 /nfs/dbraw/zinc/23/37/45/250233745.db2.gz GCUJBESYCMFVRI-UHFFFAOYSA-N 0 0 358.417 2.503 10 0 FFAERN Cc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1C ZINC000014199001 211085132 /nfs/dbraw/zinc/08/51/32/211085132.db2.gz DPGGTJORVCMDET-OAQYLSRUSA-N 0 0 363.417 2.851 10 0 FFAERN COCCN1CCN([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C[C@H]1C ZINC000106108801 250237157 /nfs/dbraw/zinc/23/71/57/250237157.db2.gz GGUFGBQBKBUGJD-KGLIPLIRSA-N 0 0 373.419 2.685 10 0 FFAERN COCCN1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C[C@H]1C ZINC000106108856 250238352 /nfs/dbraw/zinc/23/83/52/250238352.db2.gz BZDULVHHDSEIET-HUUCEWRRSA-N 0 0 353.894 2.628 10 0 FFAERN COCCN1CCN(Cc2nnc(-c3ccccc3Cl)o2)C[C@H]1C ZINC000106109252 250239252 /nfs/dbraw/zinc/23/92/52/250239252.db2.gz NTFABTJTIZLFQG-CYBMUJFWSA-N 0 0 350.850 2.543 10 0 FFAERN CCc1noc([C@H](C)N2CCN(CC(=O)Nc3cc(C)ccc3C)CC2)n1 ZINC000106139788 250242831 /nfs/dbraw/zinc/24/28/31/250242831.db2.gz TZCBRRZKZUDZIE-INIZCTEOSA-N 0 0 371.485 2.566 10 0 FFAERN Cc1noc([C@@H](C)N2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)n1 ZINC000106134446 250244188 /nfs/dbraw/zinc/24/41/88/250244188.db2.gz QBYMSWPLCKKTCX-KGLIPLIRSA-N 0 0 368.441 2.868 10 0 FFAERN C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCC(Cc2nccn2C)CC1 ZINC000106165006 250245788 /nfs/dbraw/zinc/24/57/88/250245788.db2.gz IHNXPDUSBZPSGZ-CYBMUJFWSA-N 0 0 362.424 2.980 10 0 FFAERN C[C@@H](NC(=O)[C@@H]1CCCN1c1ncnc2sccc21)c1nccs1 ZINC000105990422 250225483 /nfs/dbraw/zinc/22/54/83/250225483.db2.gz MIHXXYJNJLSDGR-PWSUYJOCSA-N 0 0 359.480 2.994 10 0 FFAERN C[C@@H](NC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)c1nccs1 ZINC000105993965 250226524 /nfs/dbraw/zinc/22/65/24/250226524.db2.gz YTHNRPCANUIFBT-LLVKDONJSA-N 0 0 360.414 2.638 10 0 FFAERN CC(=O)c1ccc(NC(=O)CN2CCc3c(nc(C(C)C)n3C)C2)cc1 ZINC000106369937 250265075 /nfs/dbraw/zinc/26/50/75/250265075.db2.gz ICGOJNYODIIGID-UHFFFAOYSA-N 0 0 354.454 2.743 10 0 FFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1F ZINC000106369199 250266054 /nfs/dbraw/zinc/26/60/54/250266054.db2.gz DUNDMLGSFVLLHO-CYBMUJFWSA-N 0 0 355.410 2.841 10 0 FFAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)N(C)C1CCCCC1 ZINC000106378918 250266910 /nfs/dbraw/zinc/26/69/10/250266910.db2.gz WCOYHOZTVRKFKL-INIZCTEOSA-N 0 0 354.520 2.683 10 0 FFAERN Cc1nc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC2)no1 ZINC000106423026 250269894 /nfs/dbraw/zinc/26/98/94/250269894.db2.gz KYJITBMCJAVQOZ-UHFFFAOYSA-N 0 0 360.801 2.736 10 0 FFAERN Cc1noc(CCNC(=O)N(C)CCc2ccc(Br)cc2)n1 ZINC000106554461 250277642 /nfs/dbraw/zinc/27/76/42/250277642.db2.gz MYFUJPADYUTIBR-UHFFFAOYSA-N 0 0 367.247 2.567 10 0 FFAERN COc1ccc(C)cc1NC(=O)CN1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000106181253 250251148 /nfs/dbraw/zinc/25/11/48/250251148.db2.gz BYDXSZBWQNSXKG-KRWDZBQOSA-N 0 0 371.485 2.563 10 0 FFAERN COc1ccc(C)cc1NC(=O)[C@H](C)N1CCC(Cn2cccn2)CC1 ZINC000106184431 250251307 /nfs/dbraw/zinc/25/13/07/250251307.db2.gz WYKXBBBNUDTQQD-INIZCTEOSA-N 0 0 356.470 2.939 10 0 FFAERN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC(Cn3cccn3)CC2)c1C ZINC000106185667 250251896 /nfs/dbraw/zinc/25/18/96/250251896.db2.gz VDZWTWWFSPIWMG-HNNXBMFYSA-N 0 0 372.469 2.598 10 0 FFAERN Cc1cnn(C[C@@H]2CN(Cc3cc(Cl)c4c(c3)OCCO4)CCO2)c1 ZINC000106197679 250252419 /nfs/dbraw/zinc/25/24/19/250252419.db2.gz MCZXXTNSKMALFM-HNNXBMFYSA-N 0 0 363.845 2.517 10 0 FFAERN Cc1cnn(C[C@H]2CN(Cc3csc(-c4ccccn4)n3)CCO2)c1 ZINC000106195900 250253492 /nfs/dbraw/zinc/25/34/92/250253492.db2.gz ZFCFFJLTVQXVJI-MRXNPFEDSA-N 0 0 355.467 2.611 10 0 FFAERN Cc1cc(C)n(C[C@H]2CN(Cc3nc(-c4ccc(F)cc4)no3)CCO2)n1 ZINC000106203932 250255486 /nfs/dbraw/zinc/25/54/86/250255486.db2.gz NDKALULDTIESAR-QGZVFWFLSA-N 0 0 371.416 2.590 10 0 FFAERN COc1ccc(NC(=O)CN2CCC[C@H]2c2c(C)nn(C)c2C)cc1OC ZINC000106210283 250256224 /nfs/dbraw/zinc/25/62/24/250256224.db2.gz GTZLXPCISJEBED-INIZCTEOSA-N 0 0 372.469 2.830 10 0 FFAERN Cc1cnn([C@@H]2CCCN(Cc3nc(=O)c4c5c(sc4[nH]3)CCC5)C2)c1 ZINC000106225382 250258223 /nfs/dbraw/zinc/25/82/23/250258223.db2.gz VVRGSAFOJZIKNT-CYBMUJFWSA-N 0 0 369.494 2.815 10 0 FFAERN Cc1cnn([C@H]2CCCN(Cc3nnnn3-c3c(C)cccc3C)C2)c1 ZINC000106219942 250259473 /nfs/dbraw/zinc/25/94/73/250259473.db2.gz ISBMPHOHSDUNEZ-KRWDZBQOSA-N 0 0 351.458 2.621 10 0 FFAERN CCc1nccn1[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000106217270 250260315 /nfs/dbraw/zinc/26/03/15/250260315.db2.gz VSJZZZOAGYNTIN-HOCLYGCPSA-N 0 0 370.453 2.838 10 0 FFAERN CCOc1ccc(CNC(=O)NC[C@H](O)c2ccccc2OC)cc1F ZINC000106274254 250262230 /nfs/dbraw/zinc/26/22/30/250262230.db2.gz VFRBFFNNSSQKDC-INIZCTEOSA-N 0 0 362.401 2.766 10 0 FFAERN O=C(NCc1cccc2cccnc21)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000106358194 250263183 /nfs/dbraw/zinc/26/31/83/250263183.db2.gz RIZFELCZQAAFPX-KRWDZBQOSA-N 0 0 369.490 2.943 10 0 FFAERN CC(C)c1nc2c(n1C)CCN([C@H](C)C(=O)NCc1ccccc1F)C2 ZINC000106370224 250264929 /nfs/dbraw/zinc/26/49/29/250264929.db2.gz KDFFFCFQPDVHSU-CQSZACIVSA-N 0 0 358.461 2.746 10 0 FFAERN COc1ccc(CCCNC(=O)CCc2nc(-c3cccnc3)no2)cc1 ZINC000108434960 250312995 /nfs/dbraw/zinc/31/29/95/250312995.db2.gz XPADBHDQVVROBS-UHFFFAOYSA-N 0 0 366.421 2.822 10 0 FFAERN O=C(Nc1ccc(N2CCCC2=O)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000111712461 250314733 /nfs/dbraw/zinc/31/47/33/250314733.db2.gz WYOGVOYITLLKQZ-HNNXBMFYSA-N 0 0 372.450 2.875 10 0 FFAERN O=C(Nc1ccc2c(c1)CCC(=O)N2)N1CCO[C@@H](c2nccs2)C1 ZINC000111719826 250317352 /nfs/dbraw/zinc/31/73/52/250317352.db2.gz FAAMQXIPSWOVFR-CQSZACIVSA-N 0 0 358.423 2.633 10 0 FFAERN Cc1cccc(N2CCC(NC(=O)c3ccc(N4CCCC4)nc3)CC2)n1 ZINC000116836556 250318691 /nfs/dbraw/zinc/31/86/91/250318691.db2.gz FOAQLWFTLUUQHL-UHFFFAOYSA-N 0 0 365.481 2.784 10 0 FFAERN Cc1cccc(N2CCC(NS(=O)(=O)Cc3ccc(F)cc3)CC2)n1 ZINC000116904930 250322572 /nfs/dbraw/zinc/32/25/72/250322572.db2.gz XRSWFESZPOCIEQ-UHFFFAOYSA-N 0 0 363.458 2.618 10 0 FFAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1ccccc1CN1CCOCC1 ZINC000117745199 250358138 /nfs/dbraw/zinc/35/81/38/250358138.db2.gz KOGVYRIGWNPTSB-IIBYNOLFSA-N 0 0 366.461 2.700 10 0 FFAERN Cc1cnn(CCNC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)c1 ZINC000117813308 250361653 /nfs/dbraw/zinc/36/16/53/250361653.db2.gz KXCDYZZYUXLNRR-UHFFFAOYSA-N 0 0 370.844 2.733 10 0 FFAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCCc1nc2c(cccc2F)n1C ZINC000117797190 250361959 /nfs/dbraw/zinc/36/19/59/250361959.db2.gz DTYOZAIWAXNQFE-HXPMCKFVSA-N 0 0 353.397 2.936 10 0 FFAERN Cc1cnn(CCNC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)c1 ZINC000117811845 250362717 /nfs/dbraw/zinc/36/27/17/250362717.db2.gz SLWAEQDLMDCENK-UHFFFAOYSA-N 0 0 353.426 2.969 10 0 FFAERN COCc1cccc(NC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000117000188 250329971 /nfs/dbraw/zinc/32/99/71/250329971.db2.gz LSTPFLZAGJILLS-KRWDZBQOSA-N 0 0 357.458 2.985 10 0 FFAERN C[C@@H](NC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1)c1cccc(O)c1 ZINC000117049759 250331315 /nfs/dbraw/zinc/33/13/15/250331315.db2.gz FNOHMPZILQOWHR-OXQOHEQNSA-N 0 0 369.465 2.514 10 0 FFAERN CC(C)(CNC(=O)[C@H](Cc1ccccc1)NC(N)=O)Cc1ccccc1 ZINC000117297239 250341147 /nfs/dbraw/zinc/34/11/47/250341147.db2.gz VOQBSYZQMSTRNS-SFHVURJKSA-N 0 0 353.466 2.651 10 0 FFAERN O=C(c1cc(F)ccc1F)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000118687910 250396035 /nfs/dbraw/zinc/39/60/35/250396035.db2.gz NEKNZVKBHBXYTQ-UHFFFAOYSA-N 0 0 362.380 2.573 10 0 FFAERN CCCc1c(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)[nH]c(C)c1C(C)=O ZINC000118674169 250396516 /nfs/dbraw/zinc/39/65/16/250396516.db2.gz GYWMWPQJTFAZDI-OAHLLOKOSA-N 0 0 369.469 2.667 10 0 FFAERN COc1ccc(SCCC(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000118674002 250396603 /nfs/dbraw/zinc/39/66/03/250396603.db2.gz HQAUGGKLEUXZOW-HNNXBMFYSA-N 0 0 372.494 2.753 10 0 FFAERN Cc1cnn(CCNC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c1 ZINC000118013599 250371323 /nfs/dbraw/zinc/37/13/23/250371323.db2.gz YNVKBMRMHMMLRB-UHFFFAOYSA-N 0 0 355.442 2.686 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCC(C)(C)c1cccc(F)c1)CC2 ZINC000118581473 250390049 /nfs/dbraw/zinc/39/00/49/250390049.db2.gz RAXNKZYTCSAALA-HNNXBMFYSA-N 0 0 359.449 2.571 10 0 FFAERN CCn1nccc1/C=C/C(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000119601970 250491557 /nfs/dbraw/zinc/49/15/57/250491557.db2.gz GJUIJCGUSDUYQJ-LKGOPFMKSA-N 0 0 353.401 2.695 10 0 FFAERN C[C@H](NC(=O)NCC(=O)NCC(F)(F)F)c1ccc2ccccc2c1 ZINC000120294648 250569694 /nfs/dbraw/zinc/56/96/94/250569694.db2.gz XZRANUFDFNKDMM-NSHDSACASA-N 0 0 353.344 2.879 10 0 FFAERN Cn1cc([C@@H]2CCCN2C(=O)c2cccc(OCC(F)(F)F)n2)cn1 ZINC000121201830 250674519 /nfs/dbraw/zinc/67/45/19/250674519.db2.gz CRSBYVOBBWCECE-ZDUSSCGKSA-N 0 0 354.332 2.734 10 0 FFAERN CCc1noc([C@@H](C)N2CCN(Cc3cc(F)c(F)c(F)c3)CC2)n1 ZINC000121391872 250696959 /nfs/dbraw/zinc/69/69/59/250696959.db2.gz YQTJHDGFTKJFHG-LLVKDONJSA-N 0 0 354.376 2.928 10 0 FFAERN CCOC(=O)c1ccccc1NC(=O)CCCCCN1C(=O)CCC1=O ZINC000011637913 210888557 /nfs/dbraw/zinc/88/85/57/210888557.db2.gz GEHLBLQRLZKKDF-UHFFFAOYSA-N 0 0 360.410 2.511 10 0 FFAERN Cc1ccc([C@H]2CCCCN2C(=O)c2csc(S(N)(=O)=O)c2)o1 ZINC000129248074 250816908 /nfs/dbraw/zinc/81/69/08/250816908.db2.gz ILFLVPVBMCXDPY-GFCCVEGCSA-N 0 0 354.453 2.664 10 0 FFAERN Cc1noc([C@H](C)N2CCN(C(=O)[C@H]3CCCc4sccc43)CC2)n1 ZINC000131529888 250996744 /nfs/dbraw/zinc/99/67/44/250996744.db2.gz XTLWKYUZTNYSHL-WFASDCNBSA-N 0 0 360.483 2.765 10 0 FFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000131626941 251005666 /nfs/dbraw/zinc/00/56/66/251005666.db2.gz YGBSOWARMFLXAD-HIFRSBDPSA-N 0 0 372.396 2.659 10 0 FFAERN CCC(=O)Nc1ccc(-n2nc(OCCOC)nc2-c2ccco2)cc1 ZINC000006775118 210699943 /nfs/dbraw/zinc/69/99/43/210699943.db2.gz SDDIQHHEOJSNBP-UHFFFAOYSA-N 0 0 356.382 2.901 10 0 FFAERN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)CCc2ccncc2)C1 ZINC000151376329 251068152 /nfs/dbraw/zinc/06/81/52/251068152.db2.gz KIBCBAYOMQBLRC-MOPGFXCFSA-N 0 0 352.434 2.820 10 0 FFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1ccc3c(c1)CCCN3C)CC2 ZINC000152959233 251084994 /nfs/dbraw/zinc/08/49/94/251084994.db2.gz KSCPVFQXGJXCSS-MRXNPFEDSA-N 0 0 368.485 2.920 10 0 FFAERN CC(C)CC(=O)N[C@@H](C(=O)NCc1nc(C(F)(F)F)cs1)C(C)C ZINC000153005293 251090995 /nfs/dbraw/zinc/09/09/95/251090995.db2.gz QBUWZYGBXZQDBD-CYBMUJFWSA-N 0 0 365.421 2.965 10 0 FFAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(F)cc2cccnc21 ZINC000152995036 251091142 /nfs/dbraw/zinc/09/11/42/251091142.db2.gz BOLQGNNYLKVXAR-HNNXBMFYSA-N 0 0 351.385 2.563 10 0 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Cn1cc(-c2cc(CN3CCC[C@H]3CNC(=O)OC(C)(C)C)on2)cn1 ZINC000185013604 510634770 /nfs/dbraw/zinc/63/47/70/510634770.db2.gz IWIITGTZNMYDHN-AWEZNQCLSA-N 0 0 361.446 2.564 10 0 FFAERN CCc1noc([C@@H](C)N2CCN(C(=O)N[C@@H](C)C3CCCCC3)CC2)n1 ZINC000175412474 510634972 /nfs/dbraw/zinc/63/49/72/510634972.db2.gz GUQYHEHXCYAYKM-LSDHHAIUSA-N 0 0 363.506 2.989 10 0 FFAERN O=C(NCc1cccnc1-n1cncn1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000175416532 510636350 /nfs/dbraw/zinc/63/63/50/510636350.db2.gz ZTPQMWSEOZTFIR-NQIIRXRSSA-N 0 0 359.433 2.573 10 0 FFAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CCCN3C(=O)C3CC3)C2)cc1 ZINC000246722866 510636498 /nfs/dbraw/zinc/63/64/98/510636498.db2.gz VLDHOHWTLCTSEG-POZUXBRTSA-N 0 0 356.466 2.801 10 0 FFAERN Cc1cccc(C(=O)N[C@H](C(=O)N2CC[C@@H]3OCCC[C@H]3C2)C(C)C)c1 ZINC000246729179 510640256 /nfs/dbraw/zinc/64/02/56/510640256.db2.gz OOJGRDUXBQXGNV-FHWLQOOXSA-N 0 0 358.482 2.777 10 0 FFAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(N2CCOC2=O)cc1 ZINC000246733156 510641692 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CNC(=O)[C@H](NC(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000188219534 510654441 /nfs/dbraw/zinc/65/44/41/510654441.db2.gz XFJOCAHIYIXXRF-SMDDNHRTSA-N 0 0 359.392 2.879 10 0 FFAERN CC/C(=C\C(=O)NCc1cccnc1-n1cncn1)c1ccc(OC)cc1 ZINC000178543056 510654760 /nfs/dbraw/zinc/65/47/60/510654760.db2.gz WLEZYBNXSMDOKE-RVDMUPIBSA-N 0 0 363.421 2.781 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCSc1ccc(C)cc1)CC2 ZINC000172303537 510657299 /nfs/dbraw/zinc/65/72/99/510657299.db2.gz HMVOQZXHYIXWIO-AWEZNQCLSA-N 0 0 359.499 2.555 10 0 FFAERN CCn1cc([C@H]2CN(C(=O)NCc3ccc(F)c(Cl)c3)CCO2)cn1 ZINC000188226092 510657559 /nfs/dbraw/zinc/65/75/59/510657559.db2.gz IBGBVFKFDQLJNQ-MRXNPFEDSA-N 0 0 366.824 2.979 10 0 FFAERN CC(C)(C)C[C@H](O)CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172306785 510658723 /nfs/dbraw/zinc/65/87/23/510658723.db2.gz FZCHRGGGLHYNCH-KRWDZBQOSA-N 0 0 364.461 2.591 10 0 FFAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000175488617 510663565 /nfs/dbraw/zinc/66/35/65/510663565.db2.gz 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ZINC000185093396 510680102 /nfs/dbraw/zinc/68/01/02/510680102.db2.gz BNWMQMLEPHPIDJ-SNVBAGLBSA-N 0 0 364.398 2.798 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1 ZINC000172377902 510697752 /nfs/dbraw/zinc/69/77/52/510697752.db2.gz BAYBPHWENRBAIZ-LLVKDONJSA-N 0 0 368.359 2.630 10 0 FFAERN CCc1ccc([C@H](COC)NC(=O)N2CCO[C@H](c3nccs3)C2)o1 ZINC000175634491 510703547 /nfs/dbraw/zinc/70/35/47/510703547.db2.gz JSULVKSQFOKNLC-ZFWWWQNUSA-N 0 0 365.455 2.769 10 0 FFAERN CCc1nnc(C2CCN(C(=O)C=Cc3ccc4c(c3)OCCO4)CC2)[nH]1 ZINC000191525969 510704523 /nfs/dbraw/zinc/70/45/23/510704523.db2.gz QKLWLZPHYXLKOY-GQCTYLIASA-N 0 0 368.437 2.558 10 0 FFAERN Cc1noc(Cl)c1CC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172391772 510704697 /nfs/dbraw/zinc/70/46/97/510704697.db2.gz ZQKNLSCJQIBHLK-UHFFFAOYSA-N 0 0 360.801 2.669 10 0 FFAERN C[S@](=O)c1ccc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000172392250 510705996 /nfs/dbraw/zinc/70/59/96/510705996.db2.gz QDGGSIMQCLOLBC-SANMLTNESA-N 0 0 369.446 2.528 10 0 FFAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cc(COc2ccccc2F)on1 ZINC000185137458 510706731 /nfs/dbraw/zinc/70/67/31/510706731.db2.gz IPUSMMQTQYMMOZ-HNNXBMFYSA-N 0 0 362.357 2.560 10 0 FFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2C)C12CCOCC2 ZINC000185146376 510711665 /nfs/dbraw/zinc/71/16/65/510711665.db2.gz IDLHFSAUCRJHLG-CVEARBPZSA-N 0 0 373.902 2.901 10 0 FFAERN Cc1c(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)cnn1-c1ccc(F)cc1 ZINC000178672647 510714680 /nfs/dbraw/zinc/71/46/80/510714680.db2.gz GQYUCYRQFWDDKX-RBUKOAKNSA-N 0 0 351.381 2.708 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](N[C@@H](c1ncc[nH]1)c1ccc(F)cc1)CC2 ZINC000188342057 510719225 /nfs/dbraw/zinc/71/92/25/510719225.db2.gz DGZXSVILRADREC-DOTOQJQBSA-N 0 0 354.433 2.958 10 0 FFAERN Cc1nnc([C@H](NC(=O)NC[C@@H]2CCCO[C@H]2C(C)C)c2ccccc2)[nH]1 ZINC000246872815 510720690 /nfs/dbraw/zinc/72/06/90/510720690.db2.gz DDKAZSCWADAZRG-KSZLIROESA-N 0 0 371.485 2.953 10 0 FFAERN CNC(=O)[C@H](NC(=O)C[C@@H](C)c1ccc(Br)cc1)C(C)C ZINC000178696131 510727325 /nfs/dbraw/zinc/72/73/25/510727325.db2.gz CEJAIIANWXQZKL-IAQYHMDHSA-N 0 0 355.276 2.830 10 0 FFAERN C[C@@H](NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)c1ccc(F)c(F)c1 ZINC000182048181 510728116 /nfs/dbraw/zinc/72/81/16/510728116.db2.gz VXCKLXIBPYNBIQ-SJKOYZFVSA-N 0 0 374.391 2.916 10 0 FFAERN Cn1cc([C@@H]2CCN(C(=O)NCCc3ccccc3OC(F)F)C2)cn1 ZINC000191576367 510733166 /nfs/dbraw/zinc/73/31/66/510733166.db2.gz KFEKTSAIYFVNBZ-CQSZACIVSA-N 0 0 364.396 2.763 10 0 FFAERN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000195242948 510733724 /nfs/dbraw/zinc/73/37/24/510733724.db2.gz BVAPCKARZFICJS-DLBZAZTESA-N 0 0 355.417 2.758 10 0 FFAERN O=C(Nc1cccc(NC(=O)C2CC2)c1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172456717 510735787 /nfs/dbraw/zinc/73/57/87/510735787.db2.gz WDGJNFFBHZRKOW-MSOLQXFVSA-N 0 0 351.406 2.815 10 0 FFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C3(Cc4ccccc4F)CC3)CCO2)n1 ZINC000188376457 510737255 /nfs/dbraw/zinc/73/72/55/510737255.db2.gz VPBWIIXUNCVAJS-SFHVURJKSA-N 0 0 371.456 2.889 10 0 FFAERN CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000178720433 510737468 /nfs/dbraw/zinc/73/74/68/510737468.db2.gz LAFVKUOACIKHJB-UXHICEINSA-N 0 0 366.461 2.689 10 0 FFAERN C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000175693959 510738203 /nfs/dbraw/zinc/73/82/03/510738203.db2.gz DJEJCHLEQWYUPC-CQSZACIVSA-N 0 0 358.463 2.534 10 0 FFAERN CCCCCNC(=O)[C@@H](C)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000246906755 510739036 /nfs/dbraw/zinc/73/90/36/510739036.db2.gz ABMREESERMLWIQ-IAGOWNOFSA-N 0 0 367.559 2.748 10 0 FFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cccnc3C(F)(F)F)C2)n1 ZINC000188387203 510740974 /nfs/dbraw/zinc/74/09/74/510740974.db2.gz OLHBBNLCUAPEOT-ZDUSSCGKSA-N 0 0 367.375 2.861 10 0 FFAERN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](SC)c2ccccc2)ncn1 ZINC000246914257 510743705 /nfs/dbraw/zinc/74/37/05/510743705.db2.gz LCZULRRQRFUHHU-QAPCUYQASA-N 0 0 371.510 2.708 10 0 FFAERN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000175707006 510745617 /nfs/dbraw/zinc/74/56/17/510745617.db2.gz ADHVFQFARABPEV-OAHLLOKOSA-N 0 0 356.817 2.691 10 0 FFAERN COCCCOc1ccccc1NC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000172472759 510745653 /nfs/dbraw/zinc/74/56/53/510745653.db2.gz MKZIDGWPJDXPAF-HKUYNNGSSA-N 0 0 356.422 2.882 10 0 FFAERN CCC[C@H](NC(=O)[C@H](C)N1CCO[C@@H](c2nnc(C)[nH]2)C1)c1ccccc1 ZINC000246926210 510749530 /nfs/dbraw/zinc/74/95/30/510749530.db2.gz JFCAFLZHKDOAOG-JCGIZDLHSA-N 0 0 371.485 2.533 10 0 FFAERN O=C(Nc1ccc2c(c1)CCCC(=O)N2)N[C@H]1Cc2ccccc2[C@H]1O ZINC000172488952 510751938 /nfs/dbraw/zinc/75/19/38/510751938.db2.gz KOMBCPBLFVLALT-PKOBYXMFSA-N 0 0 351.406 2.741 10 0 FFAERN Cc1ncc(-c2ccc(NC(=O)C(=O)N[C@@H]3COc4ccccc43)cc2)o1 ZINC000195273912 510752716 /nfs/dbraw/zinc/75/27/16/510752716.db2.gz RCIBRMGUIMFSRC-MRXNPFEDSA-N 0 0 363.373 2.838 10 0 FFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC000182093335 510753484 /nfs/dbraw/zinc/75/34/84/510753484.db2.gz APGSILSCNHHFNC-AWEZNQCLSA-N 0 0 363.849 2.935 10 0 FFAERN 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FFAERN C[C@H](COCc1ccccc1)NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000172974003 509330197 /nfs/dbraw/zinc/33/01/97/509330197.db2.gz KPVPOVMXKPWQJY-AEFFLSMTSA-N 0 0 370.449 2.996 10 0 FFAERN C[C@@H](COCc1ccccc1)NC(=O)C[C@H](C)NC(=O)c1ccccc1 ZINC000172975594 509331807 /nfs/dbraw/zinc/33/18/07/509331807.db2.gz ZHBSOFCATFNEJH-IRXDYDNUSA-N 0 0 354.450 2.917 10 0 FFAERN Cc1ccc(I)cc1C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000179235084 509333489 /nfs/dbraw/zinc/33/34/89/509333489.db2.gz QGVJAWVMRHZTSI-BXUZGUMPSA-N 0 0 373.234 2.881 10 0 FFAERN Cc1cccc(F)c1S(=O)(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248465214 509334313 /nfs/dbraw/zinc/33/43/13/509334313.db2.gz CGNBGJVAHPONBZ-LRDDRELGSA-N 0 0 371.380 2.909 10 0 FFAERN Cc1c(Cl)cccc1NC(=O)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000188941524 509335753 /nfs/dbraw/zinc/33/57/53/509335753.db2.gz GMTDLFUTHWGMJP-UHFFFAOYSA-N 0 0 374.872 2.802 10 0 FFAERN C[C@@H](CNC(=O)N1CCC[C@@H](n2cncn2)C1)Oc1cccc(Cl)c1 ZINC000176148118 509347586 /nfs/dbraw/zinc/34/75/86/509347586.db2.gz SFCKHPCCIYALBH-DZGCQCFKSA-N 0 0 363.849 2.746 10 0 FFAERN O=C(CSCC(F)(F)F)N1CCN(c2nc3ccccc3o2)CC1 ZINC000179278157 509352837 /nfs/dbraw/zinc/35/28/37/509352837.db2.gz OUYGISNIACDRNG-UHFFFAOYSA-N 0 0 359.373 2.772 10 0 FFAERN CCc1nccn1[C@H]1CCCN(C(=O)Cc2ccc(OCCOC)cc2)C1 ZINC000192114547 509353361 /nfs/dbraw/zinc/35/33/61/509353361.db2.gz CMUYIAULZDRXOA-SFHVURJKSA-N 0 0 371.481 2.877 10 0 FFAERN O=C(NCCOCc1ccccc1)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000176159967 509353713 /nfs/dbraw/zinc/35/37/13/509353713.db2.gz BOEKYQQMAVSYNN-QGZVFWFLSA-N 0 0 353.422 2.628 10 0 FFAERN CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCCC[C@H]1c1nc[nH]n1 ZINC000248535266 509354148 /nfs/dbraw/zinc/35/41/48/509354148.db2.gz GLDSCDXVIHCSPG-SJORKVTESA-N 0 0 371.485 2.998 10 0 FFAERN CCOCCC1(CNC(=O)N2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000179284462 509355629 /nfs/dbraw/zinc/35/56/29/509355629.db2.gz FRCGZYCTLJDNRI-UHFFFAOYSA-N 0 0 372.469 2.866 10 0 FFAERN COc1ccccc1C[C@@H](NC(=O)N1CCC[C@H](n2cncn2)C1)C(C)C ZINC000176169234 509358376 /nfs/dbraw/zinc/35/83/76/509358376.db2.gz DZPZFDSFGGOOQK-ZWKOTPCHSA-N 0 0 371.485 2.901 10 0 FFAERN COc1ccccc1C[C@H](NC(=O)N1CCC[C@@H](n2cncn2)C1)C(C)C ZINC000176169282 509358542 /nfs/dbraw/zinc/35/85/42/509358542.db2.gz DZPZFDSFGGOOQK-MSOLQXFVSA-N 0 0 371.485 2.901 10 0 FFAERN O=C(NCCCOC[C@@H]1CCCO1)N1CCCC[C@@H]1c1nccs1 ZINC000176174361 509361456 /nfs/dbraw/zinc/36/14/56/509361456.db2.gz YPBAOIBATHIDPC-LSDHHAIUSA-N 0 0 353.488 2.965 10 0 FFAERN Cc1cccc(N2C[C@H](C(=O)N(C)[C@H](C)c3cnn(C)c3)CC2=O)c1C ZINC000182672787 509362343 /nfs/dbraw/zinc/36/23/43/509362343.db2.gz PDGGZLHZBJZOHX-HZPDHXFCSA-N 0 0 354.454 2.609 10 0 FFAERN COCCC1(C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)CCC1 ZINC000248560170 509362975 /nfs/dbraw/zinc/36/29/75/509362975.db2.gz CHWFTXHTXWBLDM-XHSDSOJGSA-N 0 0 366.502 2.955 10 0 FFAERN COc1ccccc1[C@@H](CNC(=O)N[C@H]1CCCn2ncnc21)OC(C)C ZINC000185805000 509362973 /nfs/dbraw/zinc/36/29/73/509362973.db2.gz BSAPMKUFMGMUKQ-DOTOQJQBSA-N 0 0 373.457 2.587 10 0 FFAERN Fc1ccc(OCc2noc(CN3CCCC[C@@H]3c3nc[nH]n3)n2)cc1 ZINC000182677967 509366973 /nfs/dbraw/zinc/36/69/73/509366973.db2.gz MUEXEOKYNNTSHP-CQSZACIVSA-N 0 0 358.377 2.633 10 0 FFAERN C[C@@H](NC(=O)N1CCS(=O)(=O)C[C@H](C)C1)c1ccc2ccccc2c1 ZINC000192143882 509369427 /nfs/dbraw/zinc/36/94/27/509369427.db2.gz IPLNBOZNEGWBCW-HUUCEWRRSA-N 0 0 360.479 2.977 10 0 FFAERN Cc1noc([C@H]2CCCN(C(=O)N[C@@H]3CCCn4nc(C(C)C)nc43)C2)n1 ZINC000176194641 509371148 /nfs/dbraw/zinc/37/11/48/509371148.db2.gz IHAFGIINLZGCOP-UONOGXRCSA-N 0 0 373.461 2.517 10 0 FFAERN CCn1cnnc1C1CCN(Cc2nc(-c3ccccc3F)no2)CC1 ZINC000189014806 509371465 /nfs/dbraw/zinc/37/14/65/509371465.db2.gz HQMVVXJNLWEOKQ-UHFFFAOYSA-N 0 0 356.405 2.867 10 0 FFAERN Cn1c(Cl)cnc1CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248572292 509372639 /nfs/dbraw/zinc/37/26/39/509372639.db2.gz GJFYKDKYNGUBIH-YNEHKIRRSA-N 0 0 354.882 2.809 10 0 FFAERN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000192156885 509379083 /nfs/dbraw/zinc/37/90/83/509379083.db2.gz DUUAPPFKNFQXSS-AWEZNQCLSA-N 0 0 369.893 2.936 10 0 FFAERN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CCC(F)(F)F)CC1 ZINC000192158003 509379485 /nfs/dbraw/zinc/37/94/85/509379485.db2.gz FGPKRLFDESZABJ-ZDUSSCGKSA-N 0 0 366.424 2.984 10 0 FFAERN COc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)sc1Br ZINC000179333727 509380652 /nfs/dbraw/zinc/38/06/52/509380652.db2.gz NZGITBHZALQIKY-SECBINFHSA-N 0 0 371.260 2.588 10 0 FFAERN c1c[nH]c([C@@H](NCC2(N3CCOCC3)CCCCC2)c2ccncc2)n1 ZINC000189038247 509382126 /nfs/dbraw/zinc/38/21/26/509382126.db2.gz HAFLODFTPRSAQK-SFHVURJKSA-N 0 0 355.486 2.519 10 0 FFAERN Cc1nc(C[C@@H]2CCCN(C(=O)CCc3nc4c(cccc4C)[nH]3)C2)no1 ZINC000176230528 509392353 /nfs/dbraw/zinc/39/23/53/509392353.db2.gz GVNVOKGGALFTGP-HNNXBMFYSA-N 0 0 367.453 2.977 10 0 FFAERN C[C@H](NC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1nnc2n1CCCC2 ZINC000185867954 509396140 /nfs/dbraw/zinc/39/61/40/509396140.db2.gz RDLOGDURCHJACB-XOBRGWDASA-N 0 0 367.453 2.516 10 0 FFAERN CCO[C@@H]1C[C@@H](NC(=O)NCc2nc(C3CC3)cs2)C12CCOCC2 ZINC000185871015 509397546 /nfs/dbraw/zinc/39/75/46/509397546.db2.gz YNLUUDRBBOCGFR-HUUCEWRRSA-N 0 0 365.499 2.794 10 0 FFAERN CCc1cccc2c(CC(=O)N3C[C@@H](OC)C[C@@H]3c3nc(C)no3)c[nH]c21 ZINC000189087668 509405195 /nfs/dbraw/zinc/40/51/95/509405195.db2.gz JBXNAYDWBKRNCF-DOTOQJQBSA-N 0 0 368.437 2.953 10 0 FFAERN O=S(=O)(c1ccc(Br)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227369577 509407499 /nfs/dbraw/zinc/40/74/99/509407499.db2.gz QUICUMZSBVQFPJ-SWLSCSKDSA-N 0 0 374.300 2.765 10 0 FFAERN O=C(c1cc(N2CCNC2=O)ccc1Cl)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000173131552 509410658 /nfs/dbraw/zinc/41/06/58/509410658.db2.gz UMMZNAYCPMKGOU-JKSUJKDBSA-N 0 0 363.845 2.653 10 0 FFAERN CC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000189099953 509411743 /nfs/dbraw/zinc/41/17/43/509411743.db2.gz HDRVUIWERPQJQA-QGZVFWFLSA-N 0 0 368.437 2.542 10 0 FFAERN CCCCN1CCOC[C@H]1C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000248645348 509413071 /nfs/dbraw/zinc/41/30/71/509413071.db2.gz RAEVFIXNOOHCIS-APWZRJJASA-N 0 0 356.470 2.550 10 0 FFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1C ZINC000189106064 509413431 /nfs/dbraw/zinc/41/34/31/509413431.db2.gz BYOQEDUKZRKKFS-QGZVFWFLSA-N 0 0 354.454 2.956 10 0 FFAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1C ZINC000189106088 509413650 /nfs/dbraw/zinc/41/36/50/509413650.db2.gz BYOQEDUKZRKKFS-KRWDZBQOSA-N 0 0 354.454 2.956 10 0 FFAERN C[C@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)c1cccc(-n2ccnc2)c1 ZINC000192224710 509413957 /nfs/dbraw/zinc/41/39/57/509413957.db2.gz BYKRDPQIIFZTOW-STQMWFEESA-N 0 0 354.376 2.932 10 0 FFAERN CSc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000182760786 509414620 /nfs/dbraw/zinc/41/46/20/509414620.db2.gz IBSCSTCNKNHKKU-MRXNPFEDSA-N 0 0 359.499 2.712 10 0 FFAERN COc1ccc([C@H](C)CC(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000176272951 509414855 /nfs/dbraw/zinc/41/48/55/509414855.db2.gz XKCXNBJMZFNTNJ-QGZVFWFLSA-N 0 0 370.497 2.657 10 0 FFAERN CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)Cc2ccc(OC)cc2)C12CCOCC2 ZINC000248647427 509415772 /nfs/dbraw/zinc/41/57/72/509415772.db2.gz SWUANYJXMAOQIX-ATZDWAIDSA-N 0 0 361.482 2.964 10 0 FFAERN O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000248648946 509416357 /nfs/dbraw/zinc/41/63/57/509416357.db2.gz RBYPFKNAOSBRIG-FRRDWIJNSA-N 0 0 350.344 2.663 10 0 FFAERN CCCCOC[C@H](O)CN(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000248651780 509417541 /nfs/dbraw/zinc/41/75/41/509417541.db2.gz NAFIEQPLZSNNHQ-PBHICJAKSA-N 0 0 354.878 2.555 10 0 FFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(N3CCC(C)=N3)cc2)C1 ZINC000189115811 509417874 /nfs/dbraw/zinc/41/78/74/509417874.db2.gz IZLYJDMQBQUAKW-DLBZAZTESA-N 0 0 369.425 2.566 10 0 FFAERN CCc1csc([C@@H]2CCCN(S(=O)(=O)CC3CCOCC3)C2)n1 ZINC000173150079 509422433 /nfs/dbraw/zinc/42/24/33/509422433.db2.gz ZPDZOSONQREOOL-CQSZACIVSA-N 0 0 358.529 2.641 10 0 FFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1NCc1cccnc1 ZINC000176287248 509423435 /nfs/dbraw/zinc/42/34/35/509423435.db2.gz ICFBROSFXIXIRP-SFHVURJKSA-N 0 0 362.437 2.859 10 0 FFAERN Cc1ccc2c(n1)OCCN2C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000189134070 509428511 /nfs/dbraw/zinc/42/85/11/509428511.db2.gz LKUWGPWPSFHIAK-LPHOPBHVSA-N 0 0 365.433 2.725 10 0 FFAERN CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(N3CCCC3)nc2)C12CCOCC2 ZINC000185930792 509433038 /nfs/dbraw/zinc/43/30/38/509433038.db2.gz FQFXHPBOAOCBPN-SJORKVTESA-N 0 0 374.485 2.778 10 0 FFAERN CCOC(=O)c1csc(C2CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)n1 ZINC000192265517 509433520 /nfs/dbraw/zinc/43/35/20/509433520.db2.gz QQBFXANEPOSEFN-TZMCWYRMSA-N 0 0 366.483 2.841 10 0 FFAERN CCO[C@@H]1C[C@H](NC(=O)Nc2cccnc2N2CCCC2)C12CCOCC2 ZINC000185932625 509434120 /nfs/dbraw/zinc/43/41/20/509434120.db2.gz LWGXJPULCXIZMO-DLBZAZTESA-N 0 0 374.485 2.778 10 0 FFAERN CCOC(=O)c1csc(C2CCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)n1 ZINC000192265535 509434680 /nfs/dbraw/zinc/43/46/80/509434680.db2.gz QQBFXANEPOSEFN-JSGCOSHPSA-N 0 0 366.483 2.841 10 0 FFAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000173174030 509435256 /nfs/dbraw/zinc/43/52/56/509435256.db2.gz XLDXOJZEQRYWNK-MRXNPFEDSA-N 0 0 355.394 2.565 10 0 FFAERN CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2)c2ccc(F)cc2C1 ZINC000185939464 509438381 /nfs/dbraw/zinc/43/83/81/509438381.db2.gz UJEPOZRUJYKYIK-GOSISDBHSA-N 0 0 362.426 2.598 10 0 FFAERN CCc1noc(C)c1NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179430396 509439894 /nfs/dbraw/zinc/43/98/94/509439894.db2.gz RKNGGTANYFOYLD-ZDUSSCGKSA-N 0 0 354.414 3.000 10 0 FFAERN COc1ccc(C[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000179431904 509440871 /nfs/dbraw/zinc/44/08/71/509440871.db2.gz OOQJNHCWSBWRQQ-KDOFPFPSSA-N 0 0 373.474 2.909 10 0 FFAERN Cn1nccc1C1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)CC1 ZINC000185952602 509445298 /nfs/dbraw/zinc/44/52/98/509445298.db2.gz PVCOZLSBTJDBLR-UHFFFAOYSA-N 0 0 356.470 2.737 10 0 FFAERN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)o1 ZINC000173191079 509445370 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C[C@H](Cc1ccccc1F)C(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000186765741 251259787 /nfs/dbraw/zinc/25/97/87/251259787.db2.gz HTKIRYRMFOZAMQ-CYBMUJFWSA-N 0 0 360.433 2.860 10 0 FFAERN CN(C)c1noc(C2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)n1 ZINC000186778168 251261195 /nfs/dbraw/zinc/26/11/95/251261195.db2.gz IGUREBYXIISHJS-UHFFFAOYSA-N 0 0 365.437 2.946 10 0 FFAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N2CCCC[C@@H]2c2nc[nH]n2)C1 ZINC000181168754 251252424 /nfs/dbraw/zinc/25/24/24/251252424.db2.gz PEVWDGUVTUGICL-MGPQQGTHSA-N 0 0 363.462 2.552 10 0 FFAERN CSc1nc(C)c(CCC(=O)N2CCCC[C@H]2c2nc[nH]n2)c(C)n1 ZINC000181182367 251253355 /nfs/dbraw/zinc/25/33/55/251253355.db2.gz SCSIWPJQRYIDHA-AWEZNQCLSA-N 0 0 360.487 2.620 10 0 FFAERN COC[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000192568228 251289627 /nfs/dbraw/zinc/28/96/27/251289627.db2.gz FEBMYFOSDQOZTC-BXUZGUMPSA-N 0 0 350.802 2.555 10 0 FFAERN CCC(CC)[C@H]1C[C@H](NC(=O)N2CCN(c3cc(C)[nH]n3)CC2)CCO1 ZINC000186827823 251271576 /nfs/dbraw/zinc/27/15/76/251271576.db2.gz AHADCIKOPCHWMT-IAGOWNOFSA-N 0 0 363.506 2.534 10 0 FFAERN O=C(NCc1ccc(N2CCCCC2=O)cc1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251926172 251306535 /nfs/dbraw/zinc/30/65/35/251306535.db2.gz SRYUSOXQUBZHFF-KSZLIROESA-N 0 0 357.454 2.570 10 0 FFAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000252353550 251309333 /nfs/dbraw/zinc/30/93/33/251309333.db2.gz ZSHGDJNMJBNYPB-NVXWUHKLSA-N 0 0 367.453 2.881 10 0 FFAERN Cc1csc([C@@H]2COCCN2C[C@H]2CN(c3ccccc3)C(=O)O2)n1 ZINC000252007156 251309403 /nfs/dbraw/zinc/30/94/03/251309403.db2.gz XXLWJITYNABZEZ-HOTGVXAUSA-N 0 0 359.451 2.850 10 0 FFAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H]1[C@H]3CCc4ccccc4[C@@H]13)CC2 ZINC000253188446 251315432 /nfs/dbraw/zinc/31/54/32/251315432.db2.gz GDEFQRZZFGPUJJ-CENDIDJXSA-N 0 0 370.493 2.676 10 0 FFAERN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000251690227 251301850 /nfs/dbraw/zinc/30/18/50/251301850.db2.gz OVUKJBWFFITMQV-JYJNAYRXSA-N 0 0 363.506 2.609 10 0 FFAERN C[C@@](O)(CC(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1)c1ccccc1 ZINC000272757051 252121386 /nfs/dbraw/zinc/12/13/86/252121386.db2.gz PMSFPARJOWLBKS-MGPUTAFESA-N 0 0 355.438 2.951 10 0 FFAERN Cc1cnn(C[C@H]2CN(c3nnc(Cc4ccc(F)cc4)s3)CCO2)c1 ZINC000273244582 252262949 /nfs/dbraw/zinc/26/29/49/252262949.db2.gz UXUWXWDHRFFRDE-MRXNPFEDSA-N 0 0 373.457 2.678 10 0 FFAERN Nc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000019775774 220295516 /nfs/dbraw/zinc/29/55/16/220295516.db2.gz KJRUPPOIVYATHP-UHFFFAOYSA-N 0 0 358.873 2.679 10 0 FFAERN CC1=C(C(=O)OC(C)(C)C)[C@@]2(c3ccccc3-c3oc(N)nc32)C(=O)N1C ZINC000020569023 220333391 /nfs/dbraw/zinc/33/33/91/220333391.db2.gz YIDYVQVKUMDKCN-HXUWFJFHSA-N 0 0 367.405 2.611 10 0 FFAERN Cc1ccc(N(C)S(=O)(=O)c2cc(Br)cnc2N)cc1 ZINC000020467682 220327223 /nfs/dbraw/zinc/32/72/23/220327223.db2.gz BUSSGYPKXQHWJO-UHFFFAOYSA-N 0 0 356.245 2.560 10 0 FFAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000022696627 220395334 /nfs/dbraw/zinc/39/53/34/220395334.db2.gz ZALILBAEBCUTEC-AWEZNQCLSA-N 0 0 362.227 2.667 10 0 FFAERN C[C@H](NS(=O)(=O)N(C)C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000044761935 220959165 /nfs/dbraw/zinc/95/91/65/220959165.db2.gz HGGOTPGVHDZXRZ-ZDUSSCGKSA-N 0 0 354.472 2.618 10 0 FFAERN CC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Br)cc1 ZINC000047155453 220988495 /nfs/dbraw/zinc/98/84/95/220988495.db2.gz UAVUQUJPUZLEDY-UHFFFAOYSA-N 0 0 373.055 2.963 10 0 FFAERN CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)CC1 ZINC000049618830 221025515 /nfs/dbraw/zinc/02/55/15/221025515.db2.gz PSYDLONTFHVECG-QGZVFWFLSA-N 0 0 369.469 2.620 10 0 FFAERN Cn1ccnc1[C@H]1CN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CCN1C ZINC000275444760 256007722 /nfs/dbraw/zinc/00/77/22/256007722.db2.gz QTSLRRUJDYSLOX-DLBZAZTESA-N 0 0 373.888 2.759 10 0 FFAERN Cn1cc(C(=O)NCc2coc(-c3ccccc3)n2)c([C@H]2CCOC2)n1 ZINC000275416968 256003310 /nfs/dbraw/zinc/00/33/10/256003310.db2.gz BWANXDLMELRQFM-AWEZNQCLSA-N 0 0 352.394 2.509 10 0 FFAERN CC(C)(O)[C@H]1Cc2c(cc3occ(-c4ccc(O)cc4)c(O)c-3c2=O)O1 ZINC000059728632 221126228 /nfs/dbraw/zinc/12/62/28/221126228.db2.gz NNBVKGDFOQADTG-MRXNPFEDSA-N 0 0 354.358 2.946 10 0 biogenic,in-vitro FFAERN O=C(Nc1nc(-c2ccco2)c(N2CCOCC2)s1)c1ccncc1 ZINC000059757552 221127811 /nfs/dbraw/zinc/12/78/11/221127811.db2.gz DLDLABPGLOEWBJ-UHFFFAOYSA-N 0 0 356.407 2.887 10 0 FFAERN CO[C@H](C(=O)Nc1cnn(Cc2cn3ccccc3n2)c1)c1ccccc1 ZINC000058289482 221112416 /nfs/dbraw/zinc/11/24/16/221112416.db2.gz IAKSXKWIEJXCQY-IBGZPJMESA-N 0 0 361.405 2.905 10 0 FFAERN COc1ccc(-n2ncc(Br)c(Br)c2=O)cc1 ZINC000062986726 221140352 /nfs/dbraw/zinc/14/03/52/221140352.db2.gz CRLULWTWFUORMN-UHFFFAOYSA-N 0 0 360.005 2.766 10 0 FFAERN CN1CCN(C2=C(Cl)C(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 ZINC000064746642 221151020 /nfs/dbraw/zinc/15/10/20/221151020.db2.gz DRZMRINCKLTNGP-UHFFFAOYSA-N 0 0 374.655 2.564 10 0 FFAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000277008076 256151757 /nfs/dbraw/zinc/15/17/57/256151757.db2.gz ALCGIOORVGAGIB-HIFRSBDPSA-N 0 0 360.483 2.545 10 0 FFAERN Cc1ccc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3F)CCN2C)cc1 ZINC000065281845 221193051 /nfs/dbraw/zinc/19/30/51/221193051.db2.gz OMYYBFUKXWCBHG-QGZVFWFLSA-N 0 0 366.433 2.951 10 0 FFAERN Cc1ccc([C@@H](C)NC(=O)Cn2ncc3c2ncnc3N2CCCC2)cc1 ZINC000065294990 221197674 /nfs/dbraw/zinc/19/76/74/221197674.db2.gz FMUULXKUJQGJHU-OAHLLOKOSA-N 0 0 364.453 2.612 10 0 FFAERN O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2nnc3ccccn32)C1 ZINC000065312221 221197984 /nfs/dbraw/zinc/19/79/84/221197984.db2.gz CEUDGGZAMZUEQW-GOSISDBHSA-N 0 0 363.465 2.695 10 0 FFAERN CC(C)CNC(=O)[C@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000065312971 221199594 /nfs/dbraw/zinc/19/95/94/221199594.db2.gz BOUWQCAGPQKVPE-LBPRGKRZSA-N 0 0 369.391 2.737 10 0 FFAERN COc1ccc(NC(=O)[C@H]2CCCN(c3nnc4ccccn43)C2)cc1F ZINC000065312258 221199624 /nfs/dbraw/zinc/19/96/24/221199624.db2.gz BSYZYONBVTZGCR-ZDUSSCGKSA-N 0 0 369.400 2.732 10 0 FFAERN CCc1csc([C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 ZINC000277604959 256216894 /nfs/dbraw/zinc/21/68/94/256216894.db2.gz VMTAMNWNIYMKQS-AWEZNQCLSA-N 0 0 359.499 2.716 10 0 FFAERN Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cc2n(n1)CCN(C)C2 ZINC000065428450 221218467 /nfs/dbraw/zinc/21/84/67/221218467.db2.gz NZMSAADAUHRBSB-UHFFFAOYSA-N 0 0 353.253 2.874 10 0 FFAERN Nc1ncc(-c2ccc(C(=O)N3CCC3)cc2)nc1C(=O)Nc1ccccc1 ZINC000071317285 221341777 /nfs/dbraw/zinc/34/17/77/221341777.db2.gz NSAWKYAGRPQPTF-UHFFFAOYSA-N 0 0 373.416 2.824 10 0 FFAERN Cc1cc(C)n2nc(C(=O)N[C@H](C)c3cccc(Br)c3)nc2n1 ZINC000071860466 221383818 /nfs/dbraw/zinc/38/38/18/221383818.db2.gz CLZAOIFQVBESKB-LLVKDONJSA-N 0 0 374.242 2.995 10 0 FFAERN CN1C(=O)N[C@@H]2CN(C(=O)c3cc4c(s3)-c3ccccc3OC4)CC[C@@H]21 ZINC000286038942 257017491 /nfs/dbraw/zinc/01/74/91/257017491.db2.gz BBIGZKLNBNDXOT-KGLIPLIRSA-N 0 0 369.446 2.546 10 0 FFAERN O=C(N[C@H]1CC[C@H](Nc2nccc(-c3ccccn3)n2)C1)c1ccncc1 ZINC000072167135 221442722 /nfs/dbraw/zinc/44/27/22/221442722.db2.gz MKAIITSSPJLXEL-HOTGVXAUSA-N 0 0 360.421 2.697 10 0 FFAERN CCc1cc(=O)n2nc(N3C[C@@H](C)O[C@H](c4ccc(F)cc4)C3)sc2n1 ZINC000301397908 258047452 /nfs/dbraw/zinc/04/74/52/258047452.db2.gz AHCFKCCASUBGDS-ABAIWWIYSA-N 0 0 374.441 2.819 10 0 FFAERN COc1ccc([C@@H](C)Nc2cc(N3CCC[C@@H](CO)C3)ncn2)cc1OC ZINC000301221709 258035098 /nfs/dbraw/zinc/03/50/98/258035098.db2.gz ASIPQXMTXWQSHY-HUUCEWRRSA-N 0 0 372.469 2.876 10 0 FFAERN CCOc1cc(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)ccn1 ZINC000301374771 258045620 /nfs/dbraw/zinc/04/56/20/258045620.db2.gz QZVNBGIVPPZGND-UHFFFAOYSA-N 0 0 362.393 2.927 10 0 FFAERN O=C(c1ccc(N2CCC[C@@H](n3cncn3)C2)nc1)N1CCc2ccccc21 ZINC000301379655 258046215 /nfs/dbraw/zinc/04/62/15/258046215.db2.gz YCYUPSJEAWKNOT-GOSISDBHSA-N 0 0 374.448 2.718 10 0 FFAERN CCOC(=O)c1cnc2c(c(C)nn2C)c1NCCc1csc(C)n1 ZINC000302127747 258089769 /nfs/dbraw/zinc/08/97/69/258089769.db2.gz WZLORHJSEKKEIG-UHFFFAOYSA-N 0 0 359.455 2.873 10 0 FFAERN O=C(c1cccs1)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000328718118 258119009 /nfs/dbraw/zinc/11/90/09/258119009.db2.gz UWNVMURNFYQIBO-HZPDHXFCSA-N 0 0 372.494 2.803 10 0 FFAERN C[C@@H](CC(=O)N(C)Cc1nc(C(F)(F)F)cs1)N1CCCCC1=O ZINC000328733386 258119106 /nfs/dbraw/zinc/11/91/06/258119106.db2.gz HSGDAEKCDAMLSE-JTQLQIEISA-N 0 0 363.405 2.911 10 0 FFAERN C[C@H]1CN(c2cc(N3CCSCC3)ncn2)CCN1c1ccccc1F ZINC000302822715 258111664 /nfs/dbraw/zinc/11/16/64/258111664.db2.gz FGBITXGCPXTFKW-HNNXBMFYSA-N 0 0 373.501 2.884 10 0 FFAERN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000303340393 258114810 /nfs/dbraw/zinc/11/48/10/258114810.db2.gz YULWVPDIVQDVAL-ZACQAIPSSA-N 0 0 370.497 2.843 10 0 FFAERN Cc1csc(-c2cccc(S(=O)(=O)N[C@@H](C)[C@@H]3CCCO3)c2)n1 ZINC000328640874 258116702 /nfs/dbraw/zinc/11/67/02/258116702.db2.gz FIRRCJPOVAOJGW-WFASDCNBSA-N 0 0 352.481 2.964 10 0 FFAERN Cc1nc2ccccc2nc1N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000301463851 258050720 /nfs/dbraw/zinc/05/07/20/258050720.db2.gz KLYHZEJTEWEXJK-GFCCVEGCSA-N 0 0 352.360 2.833 10 0 FFAERN Cc1nc(-c2ccc(NC[C@@H](CO)Cc3ccccn3)nc2)[nH]c(=O)c1C ZINC000301524029 258053969 /nfs/dbraw/zinc/05/39/69/258053969.db2.gz FGPUQWVWMWZSDG-HNNXBMFYSA-N 0 0 365.437 2.519 10 0 FFAERN O=C1C[C@@H](CNc2nccc(C(F)(F)F)n2)CN1CCc1ccccc1 ZINC000301538697 258054786 /nfs/dbraw/zinc/05/47/86/258054786.db2.gz BMDLIHRQEOJBGY-AWEZNQCLSA-N 0 0 364.371 2.999 10 0 FFAERN COC(=O)Cn1ncc2c1ncnc2N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000301687419 258063091 /nfs/dbraw/zinc/06/30/91/258063091.db2.gz XJZJJERFWJUVKX-CQSZACIVSA-N 0 0 367.409 2.714 10 0 FFAERN CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCC[C@H](n2cccn2)C1 ZINC000328685654 258117759 /nfs/dbraw/zinc/11/77/59/258117759.db2.gz FSYJGIJTIQXPBR-HNNXBMFYSA-N 0 0 367.453 2.933 10 0 FFAERN C[C@H]1CCCN(c2cc(N3CCC[C@@H](Cc4nccn4C)C3)ncn2)C1 ZINC000301735620 258065348 /nfs/dbraw/zinc/06/53/48/258065348.db2.gz ZTFCQQWVITZCNF-IRXDYDNUSA-N 0 0 354.502 2.906 10 0 FFAERN OCc1cc2ccccc2nc1NCc1ccnc(O[C@H]2CCOC2)c1 ZINC000301858688 258071022 /nfs/dbraw/zinc/07/10/22/258071022.db2.gz 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O=C(CN1C(=O)CSc2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000171645502 510275649 /nfs/dbraw/zinc/27/56/49/510275649.db2.gz VPTKMWODGKGRSF-ZDUSSCGKSA-N 0 0 373.503 2.988 10 0 FFAERN CCOc1ccccc1NC(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000171647954 510278498 /nfs/dbraw/zinc/27/84/98/510278498.db2.gz SFGUONWHVMQMCJ-INIZCTEOSA-N 0 0 354.454 2.853 10 0 FFAERN C[C@H](COCc1ccccc1)NC(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000177838707 510282542 /nfs/dbraw/zinc/28/25/42/510282542.db2.gz RKFSWXSVPMDSBO-QGZVFWFLSA-N 0 0 373.497 2.778 10 0 FFAERN COc1ccc([C@@H]2CCCN2C(=O)CN2CCS[C@@H](C)C2)c(OC)c1 ZINC000246086633 510283751 /nfs/dbraw/zinc/28/37/51/510283751.db2.gz FKOZVAKPKPPEOE-YOEHRIQHSA-N 0 0 364.511 2.805 10 0 FFAERN O=C(N[C@H]1CCOc2ccccc21)N1CCS(=O)(=O)c2ccccc2C1 ZINC000187464462 510283914 /nfs/dbraw/zinc/28/39/14/510283914.db2.gz SXSKFJDLRRTWSH-INIZCTEOSA-N 0 0 372.446 2.509 10 0 FFAERN CCCCN1CCOC[C@H]1C(=O)NCCc1coc(-c2ccc(C)cc2)n1 ZINC000184360127 510284376 /nfs/dbraw/zinc/28/43/76/510284376.db2.gz 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YMRRYSIUBGTTAY-INIZCTEOSA-N 0 0 361.467 2.862 10 0 FFAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn(Cc2ccccc2)c1C ZINC000247039380 510811447 /nfs/dbraw/zinc/81/14/47/510811447.db2.gz VGARBNXMEATORQ-OALUTQOASA-N 0 0 352.482 2.939 10 0 FFAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000182208996 510813580 /nfs/dbraw/zinc/81/35/80/510813580.db2.gz OYLROBIGDSTXOT-SCLBCKFNSA-N 0 0 352.390 2.824 10 0 FFAERN CCn1cc([C@@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)on3)CCO2)cn1 ZINC000191751780 510813936 /nfs/dbraw/zinc/81/39/36/510813936.db2.gz FBFVKAUYMUNWOV-SFHVURJKSA-N 0 0 370.384 2.911 10 0 FFAERN CCn1cc([C@@H]2CN(C(=O)c3cccc(OC(F)F)c3)CCO2)cn1 ZINC000191754516 510815471 /nfs/dbraw/zinc/81/54/71/510815471.db2.gz GQAOJYCWNZBELA-HNNXBMFYSA-N 0 0 351.353 2.718 10 0 FFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000172607428 510817982 /nfs/dbraw/zinc/81/79/82/510817982.db2.gz YEIZUAWNWGZTIB-RYUDHWBXSA-N 0 0 359.396 2.700 10 0 FFAERN O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172609143 510819060 /nfs/dbraw/zinc/81/90/60/510819060.db2.gz TXWDOLPYAOXQHW-SFHVURJKSA-N 0 0 367.380 2.619 10 0 FFAERN CN(C(=O)[C@@H]1SCCc2sccc21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000247056103 510820041 /nfs/dbraw/zinc/82/00/41/510820041.db2.gz YTPJASMMSXBMTC-CXAGYDPISA-N 0 0 374.535 2.996 10 0 FFAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000175847369 510820909 /nfs/dbraw/zinc/82/09/09/510820909.db2.gz QCOUYJCBCYWNNW-ICSRJNTNSA-N 0 0 367.497 2.892 10 0 FFAERN O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247059096 510820960 /nfs/dbraw/zinc/82/09/60/510820960.db2.gz PLTNUXFYJXNPBM-WFXMLNOXSA-N 0 0 357.498 2.850 10 0 FFAERN O=C(NCc1cccc2cccnc21)N1CCC(Nc2cccnn2)CC1 ZINC000172614281 510822198 /nfs/dbraw/zinc/82/21/98/510822198.db2.gz MUFWXCXNNBVOTK-UHFFFAOYSA-N 0 0 362.437 2.811 10 0 FFAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182227543 510822948 /nfs/dbraw/zinc/82/29/48/510822948.db2.gz KWOGZHODCJJUDO-RDJZCZTQSA-N 0 0 353.426 2.772 10 0 FFAERN CCn1cc([C@H]2CN(C(=O)CCCc3ccc(OC)cc3)CCO2)cn1 ZINC000191774226 510825055 /nfs/dbraw/zinc/82/50/55/510825055.db2.gz LJEFIKKAYCKZJF-LJQANCHMSA-N 0 0 357.454 2.834 10 0 FFAERN Cc1ccc([C@H]2CN(C(=O)c3ccccc3N3CCOCC3)CCO2)o1 ZINC000178897424 510826082 /nfs/dbraw/zinc/82/60/82/510826082.db2.gz BEDNZIUGLZXXQR-LJQANCHMSA-N 0 0 356.422 2.638 10 0 FFAERN CCn1cc([C@H]2CN(C(=O)c3cc(Cl)ncc3Cl)CCO2)cn1 ZINC000191780673 510827672 /nfs/dbraw/zinc/82/76/72/510827672.db2.gz AMENZQVIYLYJFA-CYBMUJFWSA-N 0 0 355.225 2.819 10 0 FFAERN CCC(CC)(CO)CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178898915 510828141 /nfs/dbraw/zinc/82/81/41/510828141.db2.gz NLFPYLGQALJOGF-UHFFFAOYSA-N 0 0 364.461 2.593 10 0 FFAERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1)[C@@H](C)C2 ZINC000195448723 510829023 /nfs/dbraw/zinc/82/90/23/510829023.db2.gz UJLLDFNZJCGSTI-LIRRHRJNSA-N 0 0 372.490 2.909 10 0 FFAERN CCn1cc([C@H]2CN(C(=O)c3cnc(-c4ccccc4)nc3)CCO2)cn1 ZINC000191786812 510830004 /nfs/dbraw/zinc/83/00/04/510830004.db2.gz BUGNIHZCPOTGOB-GOSISDBHSA-N 0 0 363.421 2.574 10 0 FFAERN CCC(CC)(CO)CNC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000178911640 510831723 /nfs/dbraw/zinc/83/17/23/510831723.db2.gz AADZJSFETUREQH-UHFFFAOYSA-N 0 0 352.500 2.515 10 0 FFAERN CCn1cc([C@H]2CN(C(=O)[C@H]3SCCc4sccc43)CCO2)cn1 ZINC000191789821 510831753 /nfs/dbraw/zinc/83/17/53/510831753.db2.gz UOBSZEWPFMSNBV-ZBFHGGJFSA-N 0 0 363.508 2.895 10 0 FFAERN O=C(Nc1ccc2oc(=O)ccc2c1)N1CCC(Cn2cccn2)CC1 ZINC000172641140 510832068 /nfs/dbraw/zinc/83/20/68/510832068.db2.gz IGIMVIBBLMNSNU-UHFFFAOYSA-N 0 0 352.394 2.934 10 0 FFAERN COC[C@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)C1CCOCC1 ZINC000188584231 510835079 /nfs/dbraw/zinc/83/50/79/510835079.db2.gz ATCOAQCLQRMNPT-SFHVURJKSA-N 0 0 356.470 2.669 10 0 FFAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182261370 510836702 /nfs/dbraw/zinc/83/67/02/510836702.db2.gz WAKHCGIETUUHDJ-CVEARBPZSA-N 0 0 374.466 2.565 10 0 FFAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182261350 510836809 /nfs/dbraw/zinc/83/68/09/510836809.db2.gz WAKHCGIETUUHDJ-JKSUJKDBSA-N 0 0 374.466 2.565 10 0 FFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1SC(F)F ZINC000172664992 510840014 /nfs/dbraw/zinc/84/00/14/510840014.db2.gz DLFWIGHRDOJBSZ-JQWIXIFHSA-N 0 0 358.410 2.607 10 0 FFAERN C[C@@H](NC(=O)CN1[C@H](C)COC[C@@H]1C)c1ccc(Br)cc1 ZINC000247126983 510840782 /nfs/dbraw/zinc/84/07/82/510840782.db2.gz WXWCSEGJTFHKSE-FRRDWIJNSA-N 0 0 355.276 2.736 10 0 FFAERN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000247132503 510843165 /nfs/dbraw/zinc/84/31/65/510843165.db2.gz WRTQWRLTALXHHZ-YZGWKJHDSA-N 0 0 358.530 2.671 10 0 FFAERN O=C(NC1CCN(C(=O)c2ccoc2)CC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182287755 510843894 /nfs/dbraw/zinc/84/38/94/510843894.db2.gz VEKZGXGRGXAJPZ-QGZVFWFLSA-N 0 0 371.441 2.544 10 0 FFAERN C[C@H]1CCc2c(C(=O)NC3CCC(S(C)(=O)=O)CC3)csc2C1 ZINC000172680435 510844154 /nfs/dbraw/zinc/84/41/54/510844154.db2.gz JHHDFFXGJKDVSI-HIFPTAJRSA-N 0 0 355.525 2.959 10 0 FFAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247168521 510848113 /nfs/dbraw/zinc/84/81/13/510848113.db2.gz YGFLGBXIHNUBDE-ZBPHCFQXSA-N 0 0 372.509 2.985 10 0 FFAERN CC(C)Sc1cc(Br)ccc1[C@H]1NC(=O)[C@@H]2COCCN21 ZINC000182311759 510848580 /nfs/dbraw/zinc/84/85/80/510848580.db2.gz HTAYFRXSYYVQHG-JSGCOSHPSA-N 0 0 371.300 2.779 10 0 FFAERN COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)cc1 ZINC000182317972 510849486 /nfs/dbraw/zinc/84/94/86/510849486.db2.gz PKSWKYWICVVIOA-ACJLOTCBSA-N 0 0 366.417 2.770 10 0 FFAERN C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000247228526 510853420 /nfs/dbraw/zinc/85/34/20/510853420.db2.gz CPPVXMSIUYDDCB-RBSFLKMASA-N 0 0 353.488 2.821 10 0 FFAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000247336119 510857544 /nfs/dbraw/zinc/85/75/44/510857544.db2.gz HHXODXNPYIYMKP-RBSFLKMASA-N 0 0 369.387 2.613 10 0 FFAERN CC(C)CO[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000247375458 510858912 /nfs/dbraw/zinc/85/89/12/510858912.db2.gz HVKGUHJVUONWIU-HBFSDRIKSA-N 0 0 358.482 2.870 10 0 FFAERN CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@H]2C[C@]23CCc2ccccc23)C1 ZINC000247435222 510860796 /nfs/dbraw/zinc/86/07/96/510860796.db2.gz MNUHMWSIDKEEEE-KKVAFCGZSA-N 0 0 368.506 2.714 10 0 FFAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cc(N2CCNC2=O)ccc1Cl ZINC000247445137 510861067 /nfs/dbraw/zinc/86/10/67/510861067.db2.gz ONZBUEXCVCNQBW-MAZHCROVSA-N 0 0 363.845 2.557 10 0 FFAERN O=C(Nc1ccccc1N1CCCCC1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247454157 510861307 /nfs/dbraw/zinc/86/13/07/510861307.db2.gz PCSSOQBPUFLUAC-FRQCXROJSA-N 0 0 371.481 2.689 10 0 FFAERN Cc1nc(CN2CCCN(C(=O)CC[C@H]3CC[C@@H](C)O3)CC2)cs1 ZINC000247484604 510862675 /nfs/dbraw/zinc/86/26/75/510862675.db2.gz VADZOKAVIHSDGH-RHSMWYFYSA-N 0 0 351.516 2.834 10 0 FFAERN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247575234 510866404 /nfs/dbraw/zinc/86/64/04/510866404.db2.gz HSVAYRSZOLAMLY-MOPGFXCFSA-N 0 0 372.513 2.961 10 0 FFAERN Cc1ncc(CN2CCN([C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)CC2)s1 ZINC000247595926 510866899 /nfs/dbraw/zinc/86/68/99/510866899.db2.gz KGAJFIMBSNMWOV-RKVPGOIHSA-N 0 0 364.559 2.653 10 0 FFAERN C[C@@H](C(=O)NC1CCCC1)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247599567 510867180 /nfs/dbraw/zinc/86/71/80/510867180.db2.gz KUIIHADLFSDILN-DOTOQJQBSA-N 0 0 365.543 2.501 10 0 FFAERN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247620769 510867294 /nfs/dbraw/zinc/86/72/94/510867294.db2.gz TTWZTHNSTWWTMK-OTWHNJEPSA-N 0 0 372.444 2.811 10 0 FFAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c2cccnc12 ZINC000247654365 510868003 /nfs/dbraw/zinc/86/80/03/510868003.db2.gz WVJDTKRNODTJGZ-YSVLISHTSA-N 0 0 353.422 2.556 10 0 FFAERN COc1ccc(-n2ccc(CNC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)n2)cc1 ZINC000247661492 510868087 /nfs/dbraw/zinc/86/80/87/510868087.db2.gz XOLVWESNVNNYHS-OTWHNJEPSA-N 0 0 370.453 2.638 10 0 FFAERN O=C(CNC(=O)Cc1cccc2ccccc21)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247668238 510868182 /nfs/dbraw/zinc/86/81/82/510868182.db2.gz YHBTYBBEYKITJS-ZCNNSNEGSA-N 0 0 366.461 2.572 10 0 FFAERN Cc1cnn(C[C@H]2CN([C@@H](C)C(=O)Nc3c(C)cccc3C)CCO2)c1 ZINC000247770609 510869762 /nfs/dbraw/zinc/86/97/62/510869762.db2.gz OZDYGHIUGXOYEJ-ZWKOTPCHSA-N 0 0 356.470 2.536 10 0 FFAERN CN(c1cccnn1)C1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000247812241 510871019 /nfs/dbraw/zinc/87/10/19/510871019.db2.gz VFDQONKXLSYFQV-IEBWSBKVSA-N 0 0 371.529 2.558 10 0 FFAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000282325023 510931209 /nfs/dbraw/zinc/93/12/09/510931209.db2.gz PDSXHUKSLLHTAR-OIBJUYFYSA-N 0 0 354.653 2.558 10 0 FFAERN C[C@H](C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)S(=O)(=O)C1CCOCC1 ZINC000332691656 511091408 /nfs/dbraw/zinc/09/14/08/511091408.db2.gz TXKZRXJURDIHLA-HBUWYVDXSA-N 0 0 365.495 2.724 10 0 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O=C([C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@@H](n2cccn2)C1 ZINC000329504859 258140694 /nfs/dbraw/zinc/14/06/94/258140694.db2.gz ADLRNIFAWKXWCO-IAGOWNOFSA-N 0 0 372.856 2.753 10 0 FFAERN O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)N1[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000329507374 258140704 /nfs/dbraw/zinc/14/07/04/258140704.db2.gz ZXOFGZFCXMBBPY-XRGAULLZSA-N 0 0 374.872 2.909 10 0 FFAERN Cc1nc([C@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3ccc(C)cc3)CCO2)no1 ZINC000329516285 258141017 /nfs/dbraw/zinc/14/10/17/258141017.db2.gz DJONQAZOPKTDHK-KURKYZTESA-N 0 0 371.437 2.754 10 0 FFAERN CCCC(=O)N1CCC[C@H](c2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)C1 ZINC000329561648 258141747 /nfs/dbraw/zinc/14/17/47/258141747.db2.gz GGGSYGZUQSMZBA-QMTMVMCOSA-N 0 0 362.474 2.502 10 0 FFAERN CCCC(=O)N1CCC[C@H](c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)C1 ZINC000329561646 258141796 /nfs/dbraw/zinc/14/17/96/258141796.db2.gz GGGSYGZUQSMZBA-DOXZYTNZSA-N 0 0 362.474 2.502 10 0 FFAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000329565904 258142137 /nfs/dbraw/zinc/14/21/37/258142137.db2.gz HIFNBPYCZJFVSE-RCCFBDPRSA-N 0 0 361.486 2.931 10 0 FFAERN CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[C@H]4C)n3)ccn2)CC1 ZINC000329602814 258142638 /nfs/dbraw/zinc/14/26/38/258142638.db2.gz YEVVZQWCHAPJOO-CZUORRHYSA-N 0 0 355.442 2.704 10 0 FFAERN Cc1ccc([C@H]2OCCC[C@H]2C(=O)N2CCN(c3cccnn3)CC2)cc1 ZINC000329600052 258142672 /nfs/dbraw/zinc/14/26/72/258142672.db2.gz DUZZDAVKSTVAHK-UYAOXDASSA-N 0 0 366.465 2.602 10 0 FFAERN Cc1ccc([C@H]2OCCC[C@@H]2c2nc([C@@H]3CN4CCN3CC4)no2)cc1 ZINC000329616227 258143144 /nfs/dbraw/zinc/14/31/44/258143144.db2.gz SJQKHHMNAXWXNA-OKZBNKHCSA-N 0 0 354.454 2.686 10 0 FFAERN Cc1noc([C@H](C)N2CCN(C(=O)[C@@H]3CCSc4ccccc43)CC2)n1 ZINC000329621676 258143312 /nfs/dbraw/zinc/14/33/12/258143312.db2.gz RQDJDNCQVVOACH-XJKSGUPXSA-N 0 0 372.494 2.863 10 0 FFAERN CC(=O)N1C[C@@H](CCC(=O)N2CCC[C@@H]2c2noc(C)n2)c2ccccc21 ZINC000329641342 258143830 /nfs/dbraw/zinc/14/38/30/258143830.db2.gz XSYAFOQKZJTGPZ-CRAIPNDOSA-N 0 0 368.437 2.972 10 0 FFAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3ccc(-n4cnnn4)cc3)C2)n1 ZINC000329645590 258143971 /nfs/dbraw/zinc/14/39/71/258143971.db2.gz ISGSLSHNQNHHFP-CYBMUJFWSA-N 0 0 369.454 2.839 10 0 FFAERN C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000329654356 258144167 /nfs/dbraw/zinc/14/41/67/258144167.db2.gz LSCCNMNIVRIURD-CWRNSKLLSA-N 0 0 363.458 2.627 10 0 FFAERN Cc1csc([C@H]2CCCN(C(=O)CN3C(=O)COc4ccccc43)C2)n1 ZINC000329670290 258144297 /nfs/dbraw/zinc/14/42/97/258144297.db2.gz RSBDLRJPHMXQJY-AWEZNQCLSA-N 0 0 371.462 2.583 10 0 FFAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000332742308 258241383 /nfs/dbraw/zinc/24/13/83/258241383.db2.gz HXUXYUJTMJXRIG-YNEHKIRRSA-N 0 0 353.488 2.701 10 0 FFAERN O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000332751150 258241573 /nfs/dbraw/zinc/24/15/73/258241573.db2.gz BCWFPHXRGOTNDU-ZIFCJYIRSA-N 0 0 359.445 2.599 10 0 FFAERN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CCO1 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258249554 /nfs/dbraw/zinc/24/95/54/258249554.db2.gz SXRLPUOZDGNICQ-FUHWJXTLSA-N 0 0 353.470 2.520 10 0 FFAERN C[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@H]1COc2ccccc21 ZINC000333114751 258250744 /nfs/dbraw/zinc/25/07/44/258250744.db2.gz YIFFUWBJEWCERP-UIBIWLFHSA-N 0 0 371.481 2.641 10 0 FFAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CCSC(C)(C)CC2)cn1 ZINC000333131191 258251647 /nfs/dbraw/zinc/25/16/47/258251647.db2.gz IPLSSIHGPPRKSJ-LSDHHAIUSA-N 0 0 352.504 2.660 10 0 FFAERN O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)N1CCC2(CC[NH2+]2)CC1 ZINC000333230056 258257249 /nfs/dbraw/zinc/25/72/49/258257249.db2.gz BSMSJPAIDPQDKN-UHFFFAOYSA-N 0 0 363.874 2.640 10 0 FFAERN CN1C(=O)COc2ccc(NC(=O)N3C[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)cc21 ZINC000333248219 258258255 /nfs/dbraw/zinc/25/82/55/258258255.db2.gz RIQHFJCSCLXZHP-VVILHGPQSA-N 0 0 355.438 2.942 10 0 FFAERN CC(=O)Nc1ccc(C(=O)N2CC(=O)N(c3cccc(C)c3)C[C@H]2C)cc1 ZINC000082127601 132196348 /nfs/dbraw/zinc/19/63/48/132196348.db2.gz KFDJVHMRBDJNLL-OAHLLOKOSA-N 0 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/nfs/dbraw/zinc/54/21/46/221542146.db2.gz XJTCOURELPLNQY-UHFFFAOYSA-N 0 0 373.372 2.610 10 0 FFAERN O=C(OCc1ccccc1)N1CCC(n2c(CO)nc3cccnc32)CC1 ZINC000095078408 221844697 /nfs/dbraw/zinc/84/46/97/221844697.db2.gz GNZLQARMSNENMH-UHFFFAOYSA-N 0 0 366.421 2.897 10 0 FFAERN COC(=O)[C@@H](Cc1cc(C)c(N)c(C)c1)NC(=O)OCc1ccccc1 ZINC000095642929 221969460 /nfs/dbraw/zinc/96/94/60/221969460.db2.gz ZREUJWVHBVFLKX-QGZVFWFLSA-N 0 0 356.422 2.896 10 0 FFAERN Cc1cccc(O[C@H]2COCCN(Cc3nc4ccccc4n3C)C2)n1 ZINC000096296470 222112255 /nfs/dbraw/zinc/11/22/55/222112255.db2.gz NGEMFUHQBRFXIQ-MRXNPFEDSA-N 0 0 352.438 2.557 10 0 FFAERN COc1cccc(N2C(=O)C[C@H](SCC(=O)Nc3ccccc3)C2=O)c1 ZINC000101160053 222263741 /nfs/dbraw/zinc/26/37/41/222263741.db2.gz XLAVHDPXCVPLPC-INIZCTEOSA-N 0 0 370.430 2.699 10 0 FFAERN O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000108486897 222417488 /nfs/dbraw/zinc/41/74/88/222417488.db2.gz FHDHFXLUPSRCDE-WBTHXOAOSA-N 0 0 374.525 2.614 10 0 FFAERN CCN(C[C@H]1CCCO1)C(=O)C1(c2ccccc2)CCN(C(C)=O)CC1 ZINC000109344976 222455280 /nfs/dbraw/zinc/45/52/80/222455280.db2.gz ZMMRYXFVGNDKKS-LJQANCHMSA-N 0 0 358.482 2.594 10 0 FFAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Br)c1 ZINC000228975807 509423015 /nfs/dbraw/zinc/42/30/15/509423015.db2.gz LPVJPWLBJPJFFN-GFCCVEGCSA-N 0 0 359.651 2.795 10 0 FFAERN CCOCCS(=O)(=O)N1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000171780137 510365662 /nfs/dbraw/zinc/36/56/62/510365662.db2.gz KFNNYQXHNXJSBT-OAHLLOKOSA-N 0 0 361.891 2.858 10 0 FFAERN C[C@H](C(=O)NC[C@@H]1CCCO1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000064847547 506234759 /nfs/dbraw/zinc/23/47/59/506234759.db2.gz BUKUJYMVIPPWBA-YJBOKZPZSA-N 0 0 359.470 2.862 10 0 FFAERN O=C(CN1CCC[C@@H]1CCCO)Nc1ccc(Br)cc1F ZINC000052762677 506247033 /nfs/dbraw/zinc/24/70/33/506247033.db2.gz MPOFHCFTFTVWDB-GFCCVEGCSA-N 0 0 359.239 2.764 10 0 FFAERN O=C(CSc1ccc[n+]([O-])c1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000002565069 506283575 /nfs/dbraw/zinc/28/35/75/506283575.db2.gz 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506364985 /nfs/dbraw/zinc/36/49/85/506364985.db2.gz FMELWVCDDAWWTR-UHFFFAOYSA-N 0 0 374.437 2.982 10 0 FFAERN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccco3)ccc12 ZINC000004237171 506366259 /nfs/dbraw/zinc/36/62/59/506366259.db2.gz CONABDIAUFUUMN-UONOGXRCSA-N 0 0 350.374 2.961 10 0 biogenic FFAERN Cc1ccc(OC[C@@H]2CN(C[C@H](O)COc3ccccc3)CCO2)cc1 ZINC000034670887 506367413 /nfs/dbraw/zinc/36/74/13/506367413.db2.gz CYHKHAFNZLUNJO-RXVVDRJESA-N 0 0 357.450 2.515 10 0 FFAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000366840323 512211480 /nfs/dbraw/zinc/21/14/80/512211480.db2.gz YRUCLPIIMKIPCP-YEDYKXANSA-N 0 0 370.559 2.791 10 0 FFAERN C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C[C@H](C)O1 ZINC000366853834 512219712 /nfs/dbraw/zinc/21/97/12/512219712.db2.gz SVPXRUYPWZGTRA-YYIAUSFCSA-N 0 0 365.518 2.670 10 0 FFAERN CCn1c(C(=O)NCCC(C)C)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561256 506387710 /nfs/dbraw/zinc/38/77/10/506387710.db2.gz 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ZINC000041173998 506495862 /nfs/dbraw/zinc/49/58/62/506495862.db2.gz HTFXJIOQHOIWKW-GOSISDBHSA-N 0 0 368.433 2.998 10 0 FFAERN Cc1nn(CC(=O)N[C@H]2CCCC[C@H]2C)c(=O)c2cc3cc(F)ccc3n21 ZINC000006749915 506502528 /nfs/dbraw/zinc/50/25/28/506502528.db2.gz CXPPCKRLDPLIHD-WBMJQRKESA-N 0 0 370.428 2.792 10 0 FFAERN C[C@H]1Sc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2NC1=O ZINC000006892782 506515581 /nfs/dbraw/zinc/51/55/81/506515581.db2.gz MLOFSSUJYKNOMV-GFCCVEGCSA-N 0 0 374.487 2.866 10 0 FFAERN COc1ccccc1C(=O)N[C@@H](C(=O)NCCc1ccccc1)C(C)C ZINC000041778369 506547779 /nfs/dbraw/zinc/54/77/79/506547779.db2.gz UTYDERIPXUDYCS-LJQANCHMSA-N 0 0 354.450 2.809 10 0 FFAERN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000054580672 506580811 /nfs/dbraw/zinc/58/08/11/506580811.db2.gz SCRRGHUPMCCZDF-OLZOCXBDSA-N 0 0 365.455 2.618 10 0 FFAERN CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000007700967 506582776 /nfs/dbraw/zinc/58/27/76/506582776.db2.gz ILZDCHWXXZOAIG-CYBMUJFWSA-N 0 0 370.434 2.509 10 0 FFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccc2ccccc2c1 ZINC000042059101 506591594 /nfs/dbraw/zinc/59/15/94/506591594.db2.gz OUAMJDGKWJPHNN-LJQANCHMSA-N 0 0 374.506 2.703 10 0 FFAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000066691675 506610289 /nfs/dbraw/zinc/61/02/89/506610289.db2.gz UUFCCBMFSRRWGG-KBXCAEBGSA-N 0 0 371.412 2.936 10 0 FFAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000054841574 506635249 /nfs/dbraw/zinc/63/52/49/506635249.db2.gz DMUQIQFWUZDQLQ-LLVKDONJSA-N 0 0 368.359 2.990 10 0 FFAERN COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccccc3OC)CC2=O)c1 ZINC000008267677 506636357 /nfs/dbraw/zinc/63/63/57/506636357.db2.gz ICSSPMIGVAXJTJ-ZDUSSCGKSA-N 0 0 370.405 2.704 10 0 FFAERN CCc1nc(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000055137575 506685034 /nfs/dbraw/zinc/68/50/34/506685034.db2.gz YAJGGUWKEJNDJP-LLVKDONJSA-N 0 0 352.481 2.529 10 0 FFAERN O=C(c1cc(Cl)ccc1-n1cnnn1)N1CCC[C@@H](c2nccs2)C1 ZINC000067048510 506738249 /nfs/dbraw/zinc/73/82/49/506738249.db2.gz NLXMWJYKFCZOAO-LLVKDONJSA-N 0 0 374.857 2.792 10 0 FFAERN Cc1ccccc1[C@@H](CC(=O)N1CCC[C@H](c2nccs2)C1)NC(N)=O ZINC000067048161 506738964 /nfs/dbraw/zinc/73/89/64/506738964.db2.gz ZGVONUXIRZEQJG-GOEBONIOSA-N 0 0 372.494 2.957 10 0 FFAERN CCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000010462922 506742390 /nfs/dbraw/zinc/74/23/90/506742390.db2.gz ODQRTGVUAQLDEM-UHFFFAOYSA-N 0 0 360.479 2.712 10 0 FFAERN CC(C)NC(=O)CCNC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000043440168 506743331 /nfs/dbraw/zinc/74/33/31/506743331.db2.gz VCXQGLBRFGIMEU-UHFFFAOYSA-N 0 0 357.458 2.799 10 0 FFAERN CCN1CCN(c2c(C=O)c(C(F)(F)F)nn2-c2ccccc2)CC1 ZINC000043464365 506745549 /nfs/dbraw/zinc/74/55/49/506745549.db2.gz XJNXKKIIWYNQPI-UHFFFAOYSA-N 0 0 352.360 2.846 10 0 FFAERN CO[C@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccccc1 ZINC000043520065 506754740 /nfs/dbraw/zinc/75/47/40/506754740.db2.gz DCDURHZGJKTHPQ-WBVHZDCISA-N 0 0 356.447 2.993 10 0 FFAERN COC(=O)CCCCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000010890449 506757177 /nfs/dbraw/zinc/75/71/77/506757177.db2.gz WJZKWCHLDVZHHC-UHFFFAOYSA-N 0 0 373.453 2.894 10 0 FFAERN Cc1ccc([C@H](C)NC(=O)CSCc2cc(=O)n3ccsc3n2)o1 ZINC000043631638 506761514 /nfs/dbraw/zinc/76/15/14/506761514.db2.gz BJCUWWVECDIXNO-NSHDSACASA-N 0 0 363.464 2.768 10 0 FFAERN Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)o1 ZINC000043720920 506771002 /nfs/dbraw/zinc/77/10/02/506771002.db2.gz KBKBXMWINVKREJ-AWEZNQCLSA-N 0 0 359.401 2.956 10 0 FFAERN CC(C)(C)c1ccc(OCC(=O)N2CCN(c3cnccn3)CC2)cc1 ZINC000011544363 506779808 /nfs/dbraw/zinc/77/98/08/506779808.db2.gz FBEXARLUEWMAJJ-UHFFFAOYSA-N 0 0 354.454 2.502 10 0 FFAERN CC(C)C(=O)Nc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1 ZINC000011720048 506790389 /nfs/dbraw/zinc/79/03/89/506790389.db2.gz ORDWCEFJYRJVAZ-UHFFFAOYSA-N 0 0 353.422 2.579 10 0 FFAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](C)[C@H]3CCCO3)c2)oc1C ZINC000067349477 506836700 /nfs/dbraw/zinc/83/67/00/506836700.db2.gz 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ZINC000056354158 506996012 /nfs/dbraw/zinc/99/60/12/506996012.db2.gz LXZAPFNOHYMEEJ-VIFPVBQESA-N 0 0 362.792 2.854 10 0 FFAERN Cc1ccc(OCC(=O)N2CCC(NC(=O)c3cccs3)CC2)cc1 ZINC000056440720 507013606 /nfs/dbraw/zinc/01/36/06/507013606.db2.gz ABSAAKOEUATVMR-UHFFFAOYSA-N 0 0 358.463 2.856 10 0 FFAERN O=C(CN1CCSc2ccccc21)N1CCN(Cc2ccccc2)CC1 ZINC000015785853 507058914 /nfs/dbraw/zinc/05/89/14/507058914.db2.gz VRKNAALIYKZDEU-UHFFFAOYSA-N 0 0 367.518 2.943 10 0 FFAERN CN(C)c1ncccc1CNC(=O)N1CCC(Oc2ccccc2)CC1 ZINC000056624547 507060892 /nfs/dbraw/zinc/06/08/92/507060892.db2.gz FFIIQLQMMBAPHM-UHFFFAOYSA-N 0 0 354.454 2.901 10 0 FFAERN CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 ZINC000016023385 507071083 /nfs/dbraw/zinc/07/10/83/507071083.db2.gz KSINUBWHWMSMQS-GOSISDBHSA-N 0 0 350.418 2.919 10 0 FFAERN C[C@H](CNC(=O)N1CCC(CCc2ccccc2)CC1)N1CCOCC1 ZINC000046258727 507105637 /nfs/dbraw/zinc/10/56/37/507105637.db2.gz DULOEXTZHPIXOD-GOSISDBHSA-N 0 0 359.514 2.762 10 0 FFAERN COc1ccc(C2(CNC(=O)N[C@@H](C)[C@H]3CCCO3)CCOCC2)cc1 ZINC000056963975 507134981 /nfs/dbraw/zinc/13/49/81/507134981.db2.gz SUAXCHZHKHUSBA-MAUKXSAKSA-N 0 0 362.470 2.610 10 0 FFAERN COc1ccc(-c2noc(CCC(=O)N3CCO[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000046489493 507143835 /nfs/dbraw/zinc/14/38/35/507143835.db2.gz DSTDHZSMFNFBJQ-IRXDYDNUSA-N 0 0 371.437 2.848 10 0 FFAERN C[C@H](Oc1cccc(C=O)c1)C(=O)Nc1cccc(-c2nncn2C)c1 ZINC000068265232 507166634 /nfs/dbraw/zinc/16/66/34/507166634.db2.gz YTVBWAPKXCECSX-ZDUSSCGKSA-N 0 0 350.378 2.701 10 0 FFAERN Cc1nccn1-c1ncccc1NC(=O)[C@H](C)Oc1cccc(C=O)c1 ZINC000068286730 507173437 /nfs/dbraw/zinc/17/34/37/507173437.db2.gz KAYWHWXPAZHUQF-ZDUSSCGKSA-N 0 0 350.378 2.794 10 0 FFAERN C[C@H](Oc1cccc(C=O)c1)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000068307101 507179666 /nfs/dbraw/zinc/17/96/66/507179666.db2.gz VARGZEUZUUKBON-AWEZNQCLSA-N 0 0 367.380 2.908 10 0 FFAERN COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1 ZINC000046776216 507192080 /nfs/dbraw/zinc/19/20/80/507192080.db2.gz 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ZINC000068745058 507313902 /nfs/dbraw/zinc/31/39/02/507313902.db2.gz ANSCWHQHSXZWLX-ZDUSSCGKSA-N 0 0 359.385 2.536 10 0 FFAERN CN1CCN([C@H](C(=O)N[C@H]2CCOc3ccccc32)c2ccccc2)CC1 ZINC000057778424 507327464 /nfs/dbraw/zinc/32/74/64/507327464.db2.gz MAVUXTDMCOROOY-FPOVZHCZSA-N 0 0 365.477 2.615 10 0 FFAERN O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1CCCN1C(=O)c1ccco1 ZINC000057898866 507350744 /nfs/dbraw/zinc/35/07/44/507350744.db2.gz LVRGWCVEGPKZKM-MRXNPFEDSA-N 0 0 367.405 2.650 10 0 FFAERN Cc1cc(CN2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)no1 ZINC000058017368 507365305 /nfs/dbraw/zinc/36/53/05/507365305.db2.gz VSUIDSBXAGGSNZ-UHFFFAOYSA-N 0 0 363.845 2.821 10 0 FFAERN C[C@@H](NC(=O)[C@H](C)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000023992536 507383189 /nfs/dbraw/zinc/38/31/89/507383189.db2.gz VKASUPLCVNMPPI-MSOLQXFVSA-N 0 0 365.477 2.710 10 0 FFAERN O=C([C@@H]1Cc2ccccc2O1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000058248402 507393547 /nfs/dbraw/zinc/39/35/47/507393547.db2.gz UQWNGBCQWWCPTE-IBGZPJMESA-N 0 0 356.466 2.631 10 0 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FFAERN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC34CCC4)cc2)CC1 ZINC000081416384 508172743 /nfs/dbraw/zinc/17/27/43/508172743.db2.gz QSWQYPVDMDPRQY-UHFFFAOYSA-N 0 0 362.495 2.876 10 0 FFAERN Cc1cc(Cl)nc([S@](=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095090503 508173191 /nfs/dbraw/zinc/17/31/91/508173191.db2.gz ZMZSQWYIUWMNNV-RULNZOCKSA-N 0 0 359.879 2.946 10 0 FFAERN C[C@@H](C(=O)NC1CCCCC1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112352022 508177203 /nfs/dbraw/zinc/17/72/03/508177203.db2.gz ZKXBGEQRFMWXEU-HNNXBMFYSA-N 0 0 363.527 2.733 10 0 FFAERN O=C(c1cccs1)N1CCCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000112351727 508177290 /nfs/dbraw/zinc/17/72/90/508177290.db2.gz KWIOYMIXELPTDP-UHFFFAOYSA-N 0 0 358.463 2.867 10 0 FFAERN Cc1nn(C)c2ncc(CN3CCCN(C(=O)c4cccs4)CC3)cc12 ZINC000112352354 508177581 /nfs/dbraw/zinc/17/75/81/508177581.db2.gz LHUAIWPWGCCBGI-UHFFFAOYSA-N 0 0 369.494 2.686 10 0 FFAERN C[C@H](C(=O)N1CCCCCC1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112352185 508177666 /nfs/dbraw/zinc/17/76/66/508177666.db2.gz 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508195736 /nfs/dbraw/zinc/19/57/36/508195736.db2.gz GEWFJVAFWQRQSV-QWHCGFSZSA-N 0 0 358.360 2.792 10 0 FFAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000081642128 508200912 /nfs/dbraw/zinc/20/09/12/508200912.db2.gz KOKOEAXRJXEOQN-BEFAXECRSA-N 0 0 374.481 2.811 10 0 FFAERN O=C(N[C@H]1CCc2ncnn2C1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000112649552 508205550 /nfs/dbraw/zinc/20/55/50/508205550.db2.gz GLAHZVGXDKGVDX-LBPRGKRZSA-N 0 0 359.842 2.800 10 0 FFAERN CC(C)c1nc2c(n1C)CCN(C(=O)CCOc1cccc(C=O)c1)C2 ZINC000112664886 508207131 /nfs/dbraw/zinc/20/71/31/508207131.db2.gz UIFAQUHUVGQWIM-UHFFFAOYSA-N 0 0 355.438 2.710 10 0 FFAERN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000081732313 508207532 /nfs/dbraw/zinc/20/75/32/508207532.db2.gz PZZVPBMHIYUGAN-UHFFFAOYSA-N 0 0 372.444 2.726 10 0 FFAERN COc1ccc2cc(C(=O)N[C@H]3CCCn4nc(C)nc43)c(C)nc2c1 ZINC000081812101 508214259 /nfs/dbraw/zinc/21/42/59/508214259.db2.gz KDNXICDDBSHWJK-INIZCTEOSA-N 0 0 351.410 2.717 10 0 FFAERN 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/nfs/dbraw/zinc/21/92/65/508219265.db2.gz GCTLDMXQGQXFIP-MJGOQNOKSA-N 0 0 365.412 2.821 10 0 FFAERN CN(C)c1ccc(N2CCC(NC(=O)[C@@H]3CCCn4ccnc43)CC2)cc1 ZINC000081941409 508220681 /nfs/dbraw/zinc/22/06/81/508220681.db2.gz MWAVIGNFSMLEKV-LJQANCHMSA-N 0 0 367.497 2.612 10 0 FFAERN CCN(CC(C)(C)O)C(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000081969358 508223207 /nfs/dbraw/zinc/22/32/07/508223207.db2.gz IHKMMLUNVAMQKW-OAHLLOKOSA-N 0 0 354.878 2.714 10 0 FFAERN CC(C)CCOc1ccc([C@@H](C)NC(=O)N(C)CCS(C)(=O)=O)cc1 ZINC000076574350 508226849 /nfs/dbraw/zinc/22/68/49/508226849.db2.gz RJNXGFZSIUGDAU-OAHLLOKOSA-N 0 0 370.515 2.859 10 0 FFAERN C[C@@H](C(=O)N(C)CCc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O ZINC000098106169 508234601 /nfs/dbraw/zinc/23/46/01/508234601.db2.gz NWERQHBNPBNOMB-ZDUSSCGKSA-N 0 0 354.381 2.511 10 0 FFAERN O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@@H]1COc1ccccc1 ZINC000112933501 508234651 /nfs/dbraw/zinc/23/46/51/508234651.db2.gz GJMGZLHRQZARSN-MRXNPFEDSA-N 0 0 352.434 2.937 10 0 FFAERN COc1c(C)cc(CN(C)C(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1C ZINC000101529891 508242800 /nfs/dbraw/zinc/24/28/00/508242800.db2.gz QGXKCNDNTXJISH-GOSISDBHSA-N 0 0 369.465 2.550 10 0 FFAERN CC(=O)N[C@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000076707489 508244726 /nfs/dbraw/zinc/24/47/26/508244726.db2.gz QJQGZOLCBAKVBR-FZMZJTMJSA-N 0 0 372.296 2.771 10 0 FFAERN CCCC(=O)N[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000101564431 508246969 /nfs/dbraw/zinc/24/69/69/508246969.db2.gz QCUVXFYVNHWKNO-RDJZCZTQSA-N 0 0 361.486 2.793 10 0 FFAERN CCOc1ccc(NC(=O)CNS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000101579266 508248576 /nfs/dbraw/zinc/24/85/76/508248576.db2.gz ASQPJROUZICXGP-UHFFFAOYSA-N 0 0 368.480 2.681 10 0 FFAERN Cc1noc(CCNC(=O)N[C@H](C)COc2ccc(C(C)(C)C)cc2)n1 ZINC000101608436 508250235 /nfs/dbraw/zinc/25/02/35/508250235.db2.gz FQMBVGCLXDVDND-CYBMUJFWSA-N 0 0 360.458 2.985 10 0 FFAERN CCc1csc([C@@H]2CCCN(C(=O)CCNC(=O)C(C)(C)C)C2)n1 ZINC000113204806 508250440 /nfs/dbraw/zinc/25/04/40/508250440.db2.gz MERWRMPCIOIBAG-CYBMUJFWSA-N 0 0 351.516 2.964 10 0 FFAERN CCc1csc([C@H]2CCCN(C(=O)c3ccnc(-n4cncn4)c3)C2)n1 ZINC000113201594 508250452 /nfs/dbraw/zinc/25/04/52/508250452.db2.gz ZHMNJVZABRBGDC-AWEZNQCLSA-N 0 0 368.466 2.701 10 0 FFAERN CCc1csc([C@H]2CCCN(C(=O)[C@@H](C)NC(=O)c3ccco3)C2)n1 ZINC000113202034 508250500 /nfs/dbraw/zinc/25/05/00/508250500.db2.gz STDIZTFEAKMVGH-OLZOCXBDSA-N 0 0 361.467 2.823 10 0 FFAERN CC(C)COC[C@@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1ccco1 ZINC000101610374 508250501 /nfs/dbraw/zinc/25/05/01/508250501.db2.gz NLVIGAFCLKGRLU-CQSZACIVSA-N 0 0 353.463 2.549 10 0 FFAERN CC(C)COC[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1ccco1 ZINC000101610372 508250821 /nfs/dbraw/zinc/25/08/21/508250821.db2.gz NLVIGAFCLKGRLU-AWEZNQCLSA-N 0 0 353.463 2.549 10 0 FFAERN CC(C)[C@H](C)NC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000101621568 508251200 /nfs/dbraw/zinc/25/12/00/508251200.db2.gz NZTZDKWYDLSMFR-HNNXBMFYSA-N 0 0 367.515 2.705 10 0 FFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCO[C@H](C)c1ccccc1 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C[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025528918 249339392 /nfs/dbraw/zinc/33/93/92/249339392.db2.gz DDIYCRGZFDGBMM-LLVKDONJSA-N 0 0 355.369 2.603 10 0 FFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000031395209 249361705 /nfs/dbraw/zinc/36/17/05/249361705.db2.gz XGNOJZKIRREVBC-CHWSQXEVSA-N 0 0 369.421 2.624 10 0 FFAERN CCOC(=O)c1cccc(NC(=O)CCc2nc(-c3ccccn3)no2)c1 ZINC000031524161 249362027 /nfs/dbraw/zinc/36/20/27/249362027.db2.gz IRVGATCGDLCFNZ-UHFFFAOYSA-N 0 0 366.377 2.880 10 0 FFAERN O=C(NCc1ccccc1F)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000031724834 249364474 /nfs/dbraw/zinc/36/44/74/249364474.db2.gz RFGWUVDWSOBFHT-OAHLLOKOSA-N 0 0 353.401 2.958 10 0 FFAERN O=C(CCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000041315373 249380389 /nfs/dbraw/zinc/38/03/89/249380389.db2.gz MJIYUGCHJJLRSQ-NVXWUHKLSA-N 0 0 359.422 2.591 10 0 FFAERN O=C(/C=C/c1ccc(OC(F)F)cc1)N1CCC(NC(=O)C2CC2)CC1 ZINC000042002556 249386474 /nfs/dbraw/zinc/38/64/74/249386474.db2.gz ULTHJARBMDYIBO-FPYGCLRLSA-N 0 0 364.392 2.818 10 0 FFAERN O=C(NC1CCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1)C1CC1 ZINC000042323308 249388903 /nfs/dbraw/zinc/38/89/03/249388903.db2.gz XZBJFJXIRANVAJ-TZMCWYRMSA-N 0 0 361.408 2.808 10 0 FFAERN Cc1ccc(NC(=O)N2CCC(n3cncn3)CC2)cc1C(=O)NC(C)C ZINC000066685117 249659422 /nfs/dbraw/zinc/65/94/22/249659422.db2.gz WXORVGRZJRSHAV-UHFFFAOYSA-N 0 0 370.457 2.594 10 0 FFAERN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C)o2)c1 ZINC000067383950 249686794 /nfs/dbraw/zinc/68/67/94/249686794.db2.gz XYVSESRQHNGXRE-STQMWFEESA-N 0 0 365.455 2.618 10 0 FFAERN O=C(NCCCc1nnc2n1CCCCC2)N[C@H]1CCOc2ccccc21 ZINC000067381860 249686828 /nfs/dbraw/zinc/68/68/28/249686828.db2.gz DKBUFCXBDLSSPA-INIZCTEOSA-N 0 0 369.469 2.760 10 0 FFAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCc3nn(C)c(=O)cc3C2)cc1 ZINC000073142704 249796401 /nfs/dbraw/zinc/79/64/01/249796401.db2.gz LYPMLZRFRSHFKY-QZTJIDSGSA-N 0 0 351.450 2.592 10 0 FFAERN Cc1ccc(N2CCC(NC(=O)NCC3(O)CCCCCC3)CC2)nc1 ZINC000074435339 249838627 /nfs/dbraw/zinc/83/86/27/249838627.db2.gz RXMJEHKHMUQLRF-UHFFFAOYSA-N 0 0 360.502 2.743 10 0 FFAERN O=C(c1ccc(-n2ccnn2)cc1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000089852112 249865925 /nfs/dbraw/zinc/86/59/25/249865925.db2.gz JZTCKZYRLYDTLM-DLBZAZTESA-N 0 0 352.394 2.589 10 0 FFAERN CCc1nnc(CS[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)n1C ZINC000091027573 249917137 /nfs/dbraw/zinc/91/71/37/249917137.db2.gz JZDSXAIKKUDDPH-NSHDSACASA-N 0 0 370.486 2.883 10 0 FFAERN Cc1cn2c(ncc(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)c2=O)s1 ZINC000092862020 250006840 /nfs/dbraw/zinc/00/68/40/250006840.db2.gz PABVZOGXROHTSN-ZJUUUORDSA-N 0 0 359.373 2.915 10 0 FFAERN COCCn1ccc2ccc(NC(=O)N[C@@H]3CCCn4ncnc43)cc21 ZINC000092841440 250004557 /nfs/dbraw/zinc/00/45/57/250004557.db2.gz IYIMMGRUXXWROC-OAHLLOKOSA-N 0 0 354.414 2.536 10 0 FFAERN O=C1N[C@H](c2ccc(-c3cccc(Br)c3)o2)N2CCOC[C@@H]12 ZINC000093883593 250049020 /nfs/dbraw/zinc/04/90/20/250049020.db2.gz AVTYDGYSKUILDZ-WFASDCNBSA-N 0 0 363.211 2.538 10 0 FFAERN Cc1noc(CCCC(=O)NCCc2coc(-c3ccc(F)cc3)n2)n1 ZINC000101531877 250075007 /nfs/dbraw/zinc/07/50/07/250075007.db2.gz BNYBAASMWLJDRY-UHFFFAOYSA-N 0 0 358.373 2.854 10 0 FFAERN CCCC(=O)N[C@H]1CCCN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000101564078 250079117 /nfs/dbraw/zinc/07/91/17/250079117.db2.gz OGNLYVFLTHWXQR-HKUYNNGSSA-N 0 0 361.461 2.526 10 0 FFAERN COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)c2ccccn2)c(Cl)c1 ZINC000101575031 250079368 /nfs/dbraw/zinc/07/93/68/250079368.db2.gz QURRSLJQEYMVBV-LLVKDONJSA-N 0 0 368.842 2.903 10 0 FFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccccc2OC(F)F)C1 ZINC000101779377 250089101 /nfs/dbraw/zinc/08/91/01/250089101.db2.gz YSVZMAOIIBZYIZ-CQSZACIVSA-N 0 0 369.412 2.878 10 0 FFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)C1 ZINC000101778760 250089214 /nfs/dbraw/zinc/08/92/14/250089214.db2.gz ILIBUPPRXAVEQF-DOTOQJQBSA-N 0 0 361.486 2.804 10 0 FFAERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC(n3ccnc3)CC2)c1 ZINC000101862885 250092135 /nfs/dbraw/zinc/09/21/35/250092135.db2.gz RGHDCVOJLLDJDA-KBXCAEBGSA-N 0 0 352.438 2.955 10 0 FFAERN Cc1csc(-c2ccc(NC(=O)C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000102083961 250101281 /nfs/dbraw/zinc/10/12/81/250101281.db2.gz LNUAMQMIXFLBDP-STQMWFEESA-N 0 0 359.451 2.693 10 0 FFAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc3oc(=O)n(C)c3c2)cc1 ZINC000102293426 250103996 /nfs/dbraw/zinc/10/39/96/250103996.db2.gz KKMSNRYHLHQEFL-XHDPSFHLSA-N 0 0 365.389 2.978 10 0 FFAERN CC(C)COC1CCN(C(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)CC1 ZINC000102455824 250109515 /nfs/dbraw/zinc/10/95/15/250109515.db2.gz DHHPLGFELPLAOE-CVEARBPZSA-N 0 0 353.507 2.623 10 0 FFAERN COc1ccccc1CC1CCN(C(=O)NCCCn2ccnc2)CC1 ZINC000102544672 250114163 /nfs/dbraw/zinc/11/41/63/250114163.db2.gz UGTSGUAJDGDTQI-UHFFFAOYSA-N 0 0 356.470 2.946 10 0 FFAERN Cc1nnc([C@H](NC(=O)CCOCc2ccccc2)c2ccccc2)[nH]1 ZINC000103280238 250143387 /nfs/dbraw/zinc/14/33/87/250143387.db2.gz UJSOLRABHSYICD-LJQANCHMSA-N 0 0 350.422 2.926 10 0 FFAERN COc1cccc(-c2nsc(NC(=O)[C@@H](NC(C)=O)C3CCCC3)n2)c1 ZINC000102910953 250125646 /nfs/dbraw/zinc/12/56/46/250125646.db2.gz YWEMIZIJPAAQFO-HNNXBMFYSA-N 0 0 374.466 2.847 10 0 FFAERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1nc2ncc(Br)cn2n1 ZINC000103054191 250133171 /nfs/dbraw/zinc/13/31/71/250133171.db2.gz PMIBMIGQDZQETR-NEPJUHHUSA-N 0 0 366.263 2.831 10 0 FFAERN COc1ccc(CCC(=O)NCCCNC(=O)OC(C)(C)C)cc1F ZINC000103444423 250151217 /nfs/dbraw/zinc/15/12/17/250151217.db2.gz IKZJMUCLXVVXBP-UHFFFAOYSA-N 0 0 354.422 2.798 10 0 FFAERN COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H](C)N2CCSCC2)c1 ZINC000103467610 250151974 /nfs/dbraw/zinc/15/19/74/250151974.db2.gz UNRJHRHUVCCAHY-YOEHRIQHSA-N 0 0 364.511 2.805 10 0 FFAERN CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](c3nncn3CC)C2)cc1 ZINC000103477002 250152671 /nfs/dbraw/zinc/15/26/71/250152671.db2.gz NQYLWKRJDRXRRB-JKSUJKDBSA-N 0 0 371.485 2.903 10 0 FFAERN CCn1cnnc1[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000103478327 250156278 /nfs/dbraw/zinc/15/62/78/250156278.db2.gz VNYNDDTXJXUVJT-WMLDXEAASA-N 0 0 369.469 2.707 10 0 FFAERN O=C(NC[C@@H](O)Cc1ccccc1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000103863580 250162087 /nfs/dbraw/zinc/16/20/87/250162087.db2.gz SRACBBWTHSYPOM-XLIONFOSSA-N 0 0 371.456 2.555 10 0 FFAERN Cc1nnc([C@@H](NC(=O)NCCOc2ccccc2)c2ccccc2)[nH]1 ZINC000105078962 250197629 /nfs/dbraw/zinc/19/76/29/250197629.db2.gz PJZAPCBKMJBAPR-KRWDZBQOSA-N 0 0 351.410 2.581 10 0 FFAERN CC(C)(C)NC(=O)C[S@@](=O)Cc1ccc(F)c(Br)c1 ZINC000105692278 250221661 /nfs/dbraw/zinc/22/16/61/250221661.db2.gz YSKITNIKKFGUNK-LJQANCHMSA-N 0 0 350.253 2.752 10 0 FFAERN CC1CCN(C(=O)C2CCN(C(=O)N[C@@H]3COc4ccccc43)CC2)CC1 ZINC000105205809 250202960 /nfs/dbraw/zinc/20/29/60/250202960.db2.gz KPVMKGBDKLHBTG-GOSISDBHSA-N 0 0 371.481 2.800 10 0 FFAERN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000106081634 250232323 /nfs/dbraw/zinc/23/23/23/250232323.db2.gz XHILBFISTDVMCL-AWEZNQCLSA-N 0 0 373.888 2.711 10 0 FFAERN CN(c1cccnn1)C1CCN(Cc2nc(Cc3ccccc3)no2)CC1 ZINC000106083604 250232517 /nfs/dbraw/zinc/23/25/17/250232517.db2.gz ONLBFNQVVYEUTO-UHFFFAOYSA-N 0 0 364.453 2.551 10 0 FFAERN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000106082746 250232564 /nfs/dbraw/zinc/23/25/64/250232564.db2.gz DLNISBQUPPOQNZ-LSDHHAIUSA-N 0 0 371.460 2.758 10 0 FFAERN CN(c1cccnn1)C1CCN(CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000106085066 250233488 /nfs/dbraw/zinc/23/34/88/250233488.db2.gz ZIUNSEZNNRWTIT-UHFFFAOYSA-N 0 0 359.861 2.669 10 0 FFAERN CC[C@@H](NC(=O)CN1CCN(CCOC)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000106108129 250237436 /nfs/dbraw/zinc/23/74/36/250237436.db2.gz PNFCEWFSUHSARM-CRAIPNDOSA-N 0 0 367.921 2.560 10 0 FFAERN Cc1nc(CN2CCCN(Cc3coc(-c4cccs4)n3)CC2)no1 ZINC000106148927 250243419 /nfs/dbraw/zinc/24/34/19/250243419.db2.gz CFMKHJLMZMNLNV-UHFFFAOYSA-N 0 0 359.455 2.802 10 0 FFAERN c1coc(-c2cc(CN3CCCN(Cc4noc(C5CC5)n4)CC3)no2)c1 ZINC000106151070 250243745 /nfs/dbraw/zinc/24/37/45/250243745.db2.gz HWAIJJMALYJXQR-UHFFFAOYSA-N 0 0 369.425 2.903 10 0 FFAERN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(Cc2nccn2C)CC1 ZINC000106165728 250245856 /nfs/dbraw/zinc/24/58/56/250245856.db2.gz PXSNWBBOGNPFAJ-AWEZNQCLSA-N 0 0 351.454 2.672 10 0 FFAERN CC(=O)c1cccc(NC(=O)CN2CCC(Cc3nccn3C)CC2)c1 ZINC000106166518 250246154 /nfs/dbraw/zinc/24/61/54/250246154.db2.gz KALBPTUOKMYWEZ-UHFFFAOYSA-N 0 0 354.454 2.516 10 0 FFAERN COc1ccc(C)cc1NC(=O)CN1CCC(Cc2nccn2C)CC1 ZINC000106165998 250246999 /nfs/dbraw/zinc/24/69/99/250246999.db2.gz JMGIKAHDGMJTRQ-UHFFFAOYSA-N 0 0 356.470 2.630 10 0 FFAERN CC(C)[C@H](C)NC(=O)CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC000105969754 250225892 /nfs/dbraw/zinc/22/58/92/250225892.db2.gz JMEIATRGTKSLBQ-YCRPNKLZSA-N 0 0 371.481 2.926 10 0 FFAERN CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000106368546 250265623 /nfs/dbraw/zinc/26/56/23/250265623.db2.gz KQHACUYGTVNGHU-QGZVFWFLSA-N 0 0 363.483 2.961 10 0 FFAERN C[C@H]1c2ccccc2CCN1C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000106681880 250285258 /nfs/dbraw/zinc/28/52/58/250285258.db2.gz POKRMVHKURTBPM-HNNXBMFYSA-N 0 0 369.465 2.729 10 0 FFAERN Fc1ccc(CN2CCO[C@@H](Cn3cccn3)C2)c(Br)c1 ZINC000106193940 250252960 /nfs/dbraw/zinc/25/29/60/250252960.db2.gz JPPWNEMZYCTTRK-CQSZACIVSA-N 0 0 354.223 2.686 10 0 FFAERN Cc1cnn(C[C@@H]2CN([C@@H](C)c3nnc(-c4ccccc4)o3)CCO2)c1 ZINC000106197615 250253346 /nfs/dbraw/zinc/25/33/46/250253346.db2.gz PGDYHWKQLAPXBX-RDJZCZTQSA-N 0 0 353.426 2.704 10 0 FFAERN Cc1cnn(C[C@@H]2CN([C@@H](C)C(=O)Nc3cccc(Cl)c3)CCO2)c1 ZINC000106199170 250253585 /nfs/dbraw/zinc/25/35/85/250253585.db2.gz KOZHSJVJVGOAAG-YOEHRIQHSA-N 0 0 362.861 2.573 10 0 FFAERN O=C(CN1CCC[C@@H](n2cncn2)C1)Nc1ccc(Cl)cc1Cl ZINC000106219234 250258115 /nfs/dbraw/zinc/25/81/15/250258115.db2.gz HGMKCFZHTIURRE-GFCCVEGCSA-N 0 0 354.241 2.861 10 0 FFAERN Cc1cnn([C@H]2CCCN([C@H](C(=O)NC3CC3)c3ccc(F)cc3)C2)c1 ZINC000106219733 250258147 /nfs/dbraw/zinc/25/81/47/250258147.db2.gz DLAPHMMJFPCBGQ-OALUTQOASA-N 0 0 356.445 2.987 10 0 FFAERN C[C@H]1CN(C(=O)C2CCN(C(=O)CCc3cccs3)CC2)C[C@H](C)O1 ZINC000106221421 250259525 /nfs/dbraw/zinc/25/95/25/250259525.db2.gz VJLNJBOKUZXBQW-GJZGRUSLSA-N 0 0 364.511 2.555 10 0 FFAERN COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](n3cc(C)cn3)C2)cc1OC ZINC000106223074 250259679 /nfs/dbraw/zinc/25/96/79/250259679.db2.gz ZSNFOPAOSQOEFB-RDJZCZTQSA-N 0 0 372.469 2.873 10 0 FFAERN COc1ccc(C(C)(C)CNS(=O)(=O)N2CCC[C@@H](C)C2)cc1OC ZINC000106234414 250262089 /nfs/dbraw/zinc/26/20/89/250262089.db2.gz MCDCQWOHZOBIGJ-CQSZACIVSA-N 0 0 370.515 2.548 10 0 FFAERN COc1ccc(C(C)(C)CNC(=O)N[C@H]2CCCC[C@H]2O)cc1OC ZINC000106341600 250263773 /nfs/dbraw/zinc/26/37/73/250263773.db2.gz ZNSCMJHDXHHBQJ-LSDHHAIUSA-N 0 0 350.459 2.584 10 0 FFAERN CCOc1cccc(NC(=O)C(=O)NCc2ccc(OCC)c(F)c2)c1 ZINC000106348435 250263920 /nfs/dbraw/zinc/26/39/20/250263920.db2.gz KBDUTSMSZACXMP-UHFFFAOYSA-N 0 0 360.385 2.878 10 0 FFAERN Cc1ccc([C@H](O)CNC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000116970419 250327418 /nfs/dbraw/zinc/32/74/18/250327418.db2.gz SJHZKNVVNAZOLW-LJQANCHMSA-N 0 0 368.481 2.700 10 0 FFAERN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)[C@H]3CCOC3)c12 ZINC000106839415 250295146 /nfs/dbraw/zinc/29/51/46/250295146.db2.gz ZBADGDXNJRWAKT-HNNXBMFYSA-N 0 0 350.422 2.805 10 0 FFAERN CCCNC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)N(C)C)c1 ZINC000106907254 250298318 /nfs/dbraw/zinc/29/83/18/250298318.db2.gz QYNDDMVTCSMWLO-IBGZPJMESA-N 0 0 353.466 2.938 10 0 FFAERN CN(C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000106940976 250299264 /nfs/dbraw/zinc/29/92/64/250299264.db2.gz AJSQQFJWBKEBLQ-CYBMUJFWSA-N 0 0 373.375 2.795 10 0 FFAERN O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(-c2ncon2)cc1 ZINC000107089751 250305459 /nfs/dbraw/zinc/30/54/59/250305459.db2.gz NQRUKTNEAHOVMX-UHFFFAOYSA-N 0 0 370.453 2.502 10 0 FFAERN COC(=O)Nc1ccccc1C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116836948 250318755 /nfs/dbraw/zinc/31/87/55/250318755.db2.gz PYAGAALKBBUIGZ-UHFFFAOYSA-N 0 0 368.437 2.967 10 0 FFAERN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cnn(CC(F)F)c1)C(C)C ZINC000116845049 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251227606 /nfs/dbraw/zinc/22/76/06/251227606.db2.gz BVPQVFHATSOHNE-LBPRGKRZSA-N 0 0 374.832 2.955 10 0 FFAERN O=C(NC[C@@H]1COC2(CCCCCC2)O1)N1CCC(c2cc[nH]n2)CC1 ZINC000181080849 251237915 /nfs/dbraw/zinc/23/79/15/251237915.db2.gz SXQYXKOKYHOUPV-MRXNPFEDSA-N 0 0 362.474 2.765 10 0 FFAERN CCc1nnc([C@H]2CN(C(=O)[C@H](C)CCCc3ccccc3)CCO2)[nH]1 ZINC000181118905 251245129 /nfs/dbraw/zinc/24/51/29/251245129.db2.gz HXHVJASEAVRFSH-NVXWUHKLSA-N 0 0 356.470 2.926 10 0 FFAERN O=C(NC1CCN(c2ncccn2)CC1)c1cc(Cl)cc(Cl)n1 ZINC000181134893 251246001 /nfs/dbraw/zinc/24/60/01/251246001.db2.gz QJIMMCVGPGFWQV-UHFFFAOYSA-N 0 0 352.225 2.577 10 0 FFAERN O=C(COc1ccc(C(F)(F)F)cc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181174063 251251860 /nfs/dbraw/zinc/25/18/60/251251860.db2.gz UAJCNCIMYPYYOQ-ZDUSSCGKSA-N 0 0 354.332 2.956 10 0 FFAERN COCc1ccc(NC(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2C)cc1 ZINC000192560412 251287106 /nfs/dbraw/zinc/28/71/06/251287106.db2.gz IAVSDEQEJDBILM-SFHVURJKSA-N 0 0 371.412 2.986 10 0 FFAERN CCc1nc(CCNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cs1 ZINC000186795005 251265063 /nfs/dbraw/zinc/26/50/63/251265063.db2.gz XQDATYKTVAZSGG-ZFWWWQNUSA-N 0 0 365.524 2.727 10 0 FFAERN COC(=O)c1scc(C)c1NC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000186833037 251273828 /nfs/dbraw/zinc/27/38/28/251273828.db2.gz BEFBBDYVBVBQSO-SNVBAGLBSA-N 0 0 363.443 2.654 10 0 FFAERN CCO[C@@H]1C[C@@H](NC(=O)NCc2ncccc2C)[C@H]1Oc1ccccc1 ZINC000251884776 251305191 /nfs/dbraw/zinc/30/51/91/251305191.db2.gz VXHVLQZWFDVKMQ-BHIYHBOVSA-N 0 0 355.438 2.814 10 0 FFAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCN3c4ccccc4C[C@H]3C)C2)c1 ZINC000252441913 251312006 /nfs/dbraw/zinc/31/20/06/251312006.db2.gz DLFMPWLGIASAML-IEBWSBKVSA-N 0 0 367.497 2.989 10 0 FFAERN CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)n[nH]c2C)[C@H]1Oc1ccccc1 ZINC000251503003 251297865 /nfs/dbraw/zinc/29/78/65/251297865.db2.gz FRNBAWIHRGQAOR-NLWGTHIKSA-N 0 0 357.454 2.700 10 0 FFAERN Cc1cc(C)c(N2C[C@H](C(=O)N[C@@H]3C[C@@H]4OCCC[C@@H]34)CC2=O)c(C)c1 ZINC000251778610 251303986 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COC(=O)[C@H](NCC(F)(F)F)c1cc2c(c(Br)c1)OCO2 ZINC000037973626 220844388 /nfs/dbraw/zinc/84/43/88/220844388.db2.gz KHFJIZCKXTXLPZ-SECBINFHSA-N 0 0 370.121 2.544 10 0 FFAERN COC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl ZINC000038843966 220859088 /nfs/dbraw/zinc/85/90/88/220859088.db2.gz FYDKENOFGWLDNJ-UHFFFAOYSA-N 0 0 366.654 2.536 10 0 FFAERN CCOC(=O)c1cccc(NC(=O)c2cnc3ccc(OC)cc3c2O)c1 ZINC000039962828 220866998 /nfs/dbraw/zinc/86/69/98/220866998.db2.gz UFAOHSMWZJOQSV-UHFFFAOYSA-N 0 0 366.373 2.966 10 0 FFAERN C[C@H]1CCc2sc(C(=O)NCc3cccnc3-n3cncn3)cc2C1 ZINC000047123070 220988225 /nfs/dbraw/zinc/98/82/25/220988225.db2.gz ZOPYSYMCIJCZMV-LBPRGKRZSA-N 0 0 353.451 2.779 10 0 FFAERN Cn1ccnc1[C@H]1CN(C(=O)Nc2ccc(-c3ncco3)cc2)CCN1C ZINC000275720434 256042294 /nfs/dbraw/zinc/04/22/94/256042294.db2.gz HIPLUAHTDVVPKI-MRXNPFEDSA-N 0 0 366.425 2.596 10 0 FFAERN C=Cc1ccc(Cn2nc3n(c2=O)c2ccccc2c(=O)n3CCC)cc1 ZINC000064860360 221155052 /nfs/dbraw/zinc/15/50/52/221155052.db2.gz PYDOGJBHBHOQNJ-UHFFFAOYSA-N 0 0 360.417 2.912 10 0 FFAERN CC(C)c1ccc(Cn2c3nn(C)c(=O)n3c3ccsc3c2=O)cc1 ZINC000064946534 221157057 /nfs/dbraw/zinc/15/70/57/221157057.db2.gz IRVQPGULGQABHG-UHFFFAOYSA-N 0 0 354.435 2.581 10 0 FFAERN CC[C@H](C)NC(=O)N(C)Cc1nc2cc(C(=O)NC(C)C)ccc2n1C ZINC000065008623 221163892 /nfs/dbraw/zinc/16/38/92/221163892.db2.gz AMVJXZIBFLBKIX-ZDUSSCGKSA-N 0 0 359.474 2.651 10 0 FFAERN Cn1c(C[C@@H]2CCN(C(=O)NCc3cccc(F)c3)C2)nc2cccnc21 ZINC000065292565 221195899 /nfs/dbraw/zinc/19/58/99/221195899.db2.gz GCWWNFCIBQKXLB-HNNXBMFYSA-N 0 0 367.428 2.882 10 0 FFAERN CC(C)NC(=O)c1cn(-c2ncccc2-c2nc(C(C)(C)C)no2)cn1 ZINC000065250819 221188035 /nfs/dbraw/zinc/18/80/35/221188035.db2.gz KPRPLLYCZDOYJE-UHFFFAOYSA-N 0 0 354.414 2.753 10 0 FFAERN Cc1cccc(NC(=O)N2CCN(C(=O)[C@@H]3CCO[C@H]3C(C)C)CC2)c1 ZINC000277872362 256250111 /nfs/dbraw/zinc/25/01/11/256250111.db2.gz BBZJFLVYIJVWRD-MSOLQXFVSA-N 0 0 359.470 2.732 10 0 FFAERN Cc1cnc(C2CCN(C(=O)c3cn(C)nc3[C@H]3CCOC3)CC2)s1 ZINC000278742703 256343648 /nfs/dbraw/zinc/34/36/48/256343648.db2.gz WRJMTUZUBKFUTO-AWEZNQCLSA-N 0 0 360.483 2.709 10 0 FFAERN CC[C@@]1(C(=O)[O-])C[C@H](C(=O)NC2CC=CC2)[C@H](c2ccc(OC)cc2)[N@@H+]1C ZINC000067678285 221270882 /nfs/dbraw/zinc/27/08/82/221270882.db2.gz DABLOLWWKSNKPB-WFXMLNOXSA-N 0 0 372.465 2.756 10 0 FFAERN O=C(c1cc(CN2CCC[C@H](O)C2)on1)N1CC=C(c2ccccc2)CC1 ZINC000067741074 221279489 /nfs/dbraw/zinc/27/94/89/221279489.db2.gz HKMWZTUAKVBPOL-SFHVURJKSA-N 0 0 367.449 2.561 10 0 FFAERN COc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2COCCO2)cc1 ZINC000067883857 221300950 /nfs/dbraw/zinc/30/09/50/221300950.db2.gz SPHLWFWNWFCJIN-IBGZPJMESA-N 0 0 359.397 2.779 10 0 FFAERN CCc1nnc(C)cc1C(=O)N1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000286070965 257018819 /nfs/dbraw/zinc/01/88/19/257018819.db2.gz JPTJVYUDNSPWRF-GOSISDBHSA-N 0 0 353.470 2.937 10 0 FFAERN Cc1cc(Br)c(C(=O)N[C@H]2CCC(=O)N[C@H]2C)cc1Cl ZINC000287929973 257131157 /nfs/dbraw/zinc/13/11/57/257131157.db2.gz XFHRVFNPNBDWFM-UFBFGSQYSA-N 0 0 359.651 2.808 10 0 FFAERN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000289644715 257291712 /nfs/dbraw/zinc/29/17/12/257291712.db2.gz JQCXFWWQJPSJLU-LBPRGKRZSA-N 0 0 350.350 2.579 10 0 FFAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000292093729 257458709 /nfs/dbraw/zinc/45/87/09/257458709.db2.gz JAZCVZXPFUGCJW-BRWVUGGUSA-N 0 0 350.484 2.889 10 0 FFAERN O=c1c(Cl)c(N2CCC(n3cccn3)CC2)cnn1-c1ccccc1 ZINC000301084789 258024145 /nfs/dbraw/zinc/02/41/45/258024145.db2.gz GHSLYAMMBPVHBV-UHFFFAOYSA-N 0 0 355.829 2.924 10 0 FFAERN CCc1cc(Oc2ccc(O[C@@H]3CCCCNC3=O)cc2)n2ncnc2n1 ZINC000301179537 258032039 /nfs/dbraw/zinc/03/20/39/258032039.db2.gz YMMRKYPMMDMCML-MRXNPFEDSA-N 0 0 367.409 2.527 10 0 FFAERN COc1ccccc1[C@H](C)CNc1cnn(C)c(=O)c1Br ZINC000301274557 258039172 /nfs/dbraw/zinc/03/91/72/258039172.db2.gz YVHXSWXZHPZIDV-SNVBAGLBSA-N 0 0 352.232 2.767 10 0 FFAERN CCO[C@@H]1C[C@H](N(C)c2cnn(C)c(=O)c2Br)C12CCCC2 ZINC000301379222 258046157 /nfs/dbraw/zinc/04/61/57/258046157.db2.gz XOKJIZLAHGUPTE-QWHCGFSZSA-N 0 0 370.291 2.717 10 0 FFAERN Cc1nnc([C@H]2CCCCN2C(=O)c2cc(=O)[nH]c3ccc(F)cc32)[nH]1 ZINC000328756108 258119606 /nfs/dbraw/zinc/11/96/06/258119606.db2.gz TZBWNPKFBPZPAJ-OAHLLOKOSA-N 0 0 355.373 2.873 10 0 FFAERN O=c1ccnc2sc(N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)nn21 ZINC000302076261 258086893 /nfs/dbraw/zinc/08/68/93/258086893.db2.gz YFYRDTRGTDESSS-SECBINFHSA-N 0 0 365.821 2.634 10 0 FFAERN C[C@H]1CCO[C@H]1c1nnc(N2C[C@H]3CC[C@@H](C2)O3)n1CCc1ccccc1 ZINC000328720879 258118840 /nfs/dbraw/zinc/11/88/40/258118840.db2.gz WKVKHSYVBMFOGF-GDAAHCPNSA-N 0 0 368.481 2.986 10 0 FFAERN C[C@H](CNc1nnc(Cc2ccc(F)cc2)s1)N1CCOC[C@@H]1C ZINC000302121845 258089195 /nfs/dbraw/zinc/08/91/95/258089195.db2.gz UQVVAPBJKFVFAB-OLZOCXBDSA-N 0 0 350.463 2.789 10 0 FFAERN CCCNC(=O)c1ccc(N2CCC(c3noc(C4CC4)n3)CC2)nc1 ZINC000302157647 258091554 /nfs/dbraw/zinc/09/15/54/258091554.db2.gz FWAWEXFTMYKFNM-UHFFFAOYSA-N 0 0 355.442 2.866 10 0 FFAERN CCc1cc(=O)[nH]c(-c2ccc(N3C[C@H]4CCC[C@]4(C(=O)OC)C3)nc2)n1 ZINC000302177827 258092773 /nfs/dbraw/zinc/09/27/73/258092773.db2.gz NHQSEHOFBRDLNU-VLIAUNLRSA-N 0 0 368.437 2.586 10 0 FFAERN Cc1nccc(N2CCN(c3nnc(Cc4ccccc4F)s3)CC2)n1 ZINC000302178946 258093578 /nfs/dbraw/zinc/09/35/78/258093578.db2.gz YKEXXQMGOYSBGC-UHFFFAOYSA-N 0 0 370.457 2.693 10 0 FFAERN COC(=O)CSc1cncc(N2CCC[C@H](c3nccs3)C2)n1 ZINC000302210352 258095101 /nfs/dbraw/zinc/09/51/01/258095101.db2.gz GLIJLIKDCKAMAT-NSHDSACASA-N 0 0 350.469 2.582 10 0 FFAERN CC(C)c1noc2ncc(C(=O)N3CCN[C@@H](c4cccnc4)C3)cc21 ZINC000328719633 258119033 /nfs/dbraw/zinc/11/90/33/258119033.db2.gz QGHCMYWBGSJLOL-MRXNPFEDSA-N 0 0 351.410 2.528 10 0 FFAERN Cn1ccc(N2CCC[C@@H](Nc3cncc(OC4CCCCC4)n3)C2=O)n1 ZINC000302270086 258097847 /nfs/dbraw/zinc/09/78/47/258097847.db2.gz GTWYRITUQJZFHZ-OAHLLOKOSA-N 0 0 370.457 2.529 10 0 FFAERN COc1cc2c(cc1F)ncnc2N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000302533846 258105339 /nfs/dbraw/zinc/10/53/39/258105339.db2.gz 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/nfs/dbraw/zinc/11/94/57/258119457.db2.gz MOOBFOUPMOOREV-GWCFXTLKSA-N 0 0 352.232 2.662 10 0 FFAERN Cc1c(C(=O)N2CCN[C@H](c3cccc(F)c3)C2)[nH]c2c1C(=O)CCC2 ZINC000328649465 258116649 /nfs/dbraw/zinc/11/66/49/258116649.db2.gz IQZOTAALYFENQS-INIZCTEOSA-N 0 0 355.413 2.768 10 0 FFAERN Cc1ccc([C@](C)(O)CNc2ccc(C(=O)Nc3ccccc3)nn2)o1 ZINC000301427480 258048831 /nfs/dbraw/zinc/04/88/31/258048831.db2.gz PJDQCYICOBTXFU-LJQANCHMSA-N 0 0 352.394 2.950 10 0 FFAERN Cc1noc(-c2ccnc(N3CCn4c(nnc4-c4ccccc4)C3)c2)n1 ZINC000301453781 258050418 /nfs/dbraw/zinc/05/04/18/258050418.db2.gz RELYJSIRWLZYMR-UHFFFAOYSA-N 0 0 359.393 2.719 10 0 FFAERN COC(=O)Cn1ncc2c1ncnc2Nc1cccc(CC(F)(F)F)c1 ZINC000301477437 258051588 /nfs/dbraw/zinc/05/15/88/258051588.db2.gz UASJTYCMFOWTBE-UHFFFAOYSA-N 0 0 365.315 2.848 10 0 FFAERN CCS[C@H]1CC[C@]1(O)CNc1ccccc1S(=O)(=O)C(F)F ZINC000301496967 258052851 /nfs/dbraw/zinc/05/28/51/258052851.db2.gz UJQPAOIOEPHAJU-JSGCOSHPSA-N 0 0 351.440 2.741 10 0 FFAERN CCS[C@H]1CC[C@]1(O)CNc1cc(C)nc2nc(C(F)(F)F)nn21 ZINC000301499906 258053007 /nfs/dbraw/zinc/05/30/07/258053007.db2.gz WMOYIUTZLBYZKA-ZANVPECISA-N 0 0 361.393 2.510 10 0 FFAERN Cc1cc(NCCNc2nc(-c3cccc(Cl)c3)no2)n2ncnc2n1 ZINC000301529429 258054253 /nfs/dbraw/zinc/05/42/53/258054253.db2.gz JEQJPBHCKCAEGI-UHFFFAOYSA-N 0 0 370.804 2.660 10 0 FFAERN CC(C)CCN1CCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)CC1 ZINC000301608859 258058298 /nfs/dbraw/zinc/05/82/98/258058298.db2.gz AGIXBOIOUPYSFV-UHFFFAOYSA-N 0 0 353.532 2.822 10 0 FFAERN Cc1csc(-c2cccc(S(=O)(=O)N3CCC[C@H]3C(N)=O)c2)n1 ZINC000328679387 258117500 /nfs/dbraw/zinc/11/75/00/258117500.db2.gz UADJGMAQRXPRDM-ZDUSSCGKSA-N 0 0 351.453 2.807 10 0 FFAERN Cc1cc(N2CCN(c3ncc(Br)cc3C)CC2)nc(C)n1 ZINC000301622624 258059299 /nfs/dbraw/zinc/05/92/99/258059299.db2.gz OBHJLCLQPPGGCX-UHFFFAOYSA-N 0 0 362.275 2.886 10 0 FFAERN CCc1cc(N2CCO[C@@](C)(c3cnn(C)c3)C2)nc(-c2ccccn2)n1 ZINC000301623858 258059540 /nfs/dbraw/zinc/05/95/40/258059540.db2.gz AEBZSUZHEDJBSC-HXUWFJFHSA-N 0 0 364.453 2.587 10 0 FFAERN O=C([C@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CCC[C@H](n2cccn2)C1 ZINC000328687497 258117826 /nfs/dbraw/zinc/11/78/26/258117826.db2.gz HBRPQQWSPZKFDG-DLBZAZTESA-N 0 0 372.856 2.753 10 0 FFAERN O=C(CC1CCCC1)N1CCCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC000328681485 258117851 /nfs/dbraw/zinc/11/78/51/258117851.db2.gz VCFJTBRTXLPKQK-QGZVFWFLSA-N 0 0 363.502 2.917 10 0 FFAERN CO[C@@H]1CCC[C@H](Nc2ncccc2S(=O)(=O)N2CCCCC2)C1 ZINC000301762021 258066571 /nfs/dbraw/zinc/06/65/71/258066571.db2.gz GLTVPNIOIJHNFA-LSDHHAIUSA-N 0 0 353.488 2.626 10 0 FFAERN Cc1noc(-c2ccnc(NCc3ccnc(O[C@@H]4CCOC4)c3)c2)n1 ZINC000301854306 258070538 /nfs/dbraw/zinc/07/05/38/258070538.db2.gz BLCWCKGTLLOHGV-OAHLLOKOSA-N 0 0 353.382 2.615 10 0 FFAERN C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000328704622 258118426 /nfs/dbraw/zinc/11/84/26/258118426.db2.gz YKEJMPWXMIZSPU-BMGDILEWSA-N 0 0 366.889 2.787 10 0 FFAERN Cc1csc(NC2CCN(C(=O)C[C@H](C)N3CCCCC3=O)CC2)n1 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Cc1nccn1-c1ncccc1NC(=O)[C@@H](C)Oc1cccc(C=O)c1 ZINC000068286729 507173906 /nfs/dbraw/zinc/17/39/06/507173906.db2.gz KAYWHWXPAZHUQF-CYBMUJFWSA-N 0 0 350.378 2.794 10 0 FFAERN CC(C)(C)OC[C@@H](O)CN1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000068300559 507178581 /nfs/dbraw/zinc/17/85/81/507178581.db2.gz ZXVUTUZSGFRUBS-HOTGVXAUSA-N 0 0 372.303 2.998 10 0 FFAERN C[C@H](Oc1cccc(C=O)c1)C(=O)NCCN1CCc2sccc2C1 ZINC000068305265 507180296 /nfs/dbraw/zinc/18/02/96/507180296.db2.gz XDSBEXUMVFCPQA-AWEZNQCLSA-N 0 0 358.463 2.502 10 0 FFAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCCN(c2nccs2)CC1 ZINC000068363115 507202090 /nfs/dbraw/zinc/20/20/90/507202090.db2.gz AQBYSJIJAXTEIC-OAHLLOKOSA-N 0 0 358.467 2.889 10 0 FFAERN CCCS(=O)(=O)N1CCC(NC(=O)N[C@H](CC)c2cccs2)CC1 ZINC000057243520 507216156 /nfs/dbraw/zinc/21/61/56/507216156.db2.gz PROVRUCDUGAYSW-CQSZACIVSA-N 0 0 373.544 2.703 10 0 FFAERN O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000068651228 507288884 /nfs/dbraw/zinc/28/88/84/507288884.db2.gz FLWZUOPFCQALIT-CHWSQXEVSA-N 0 0 372.343 2.790 10 0 FFAERN CCc1cc(N2CCCN(c3ncccn3)CC2)nc(-c2ccccn2)n1 ZINC000068700357 507303558 /nfs/dbraw/zinc/30/35/58/507303558.db2.gz GIRMVFRSEQIYST-UHFFFAOYSA-N 0 0 361.453 2.608 10 0 FFAERN CN1CCN([C@@H](C(=O)N[C@H]2CCOc3ccccc32)c2ccccc2)CC1 ZINC000057778427 507326942 /nfs/dbraw/zinc/32/69/42/507326942.db2.gz MAVUXTDMCOROOY-PZJWPPBQSA-N 0 0 365.477 2.615 10 0 FFAERN CC(C)[C@H](C)NC(=O)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000068840940 507339313 /nfs/dbraw/zinc/33/93/13/507339313.db2.gz BJXQIPMSAUHCIO-AWEZNQCLSA-N 0 0 351.516 2.873 10 0 FFAERN C[C@H](CNC(=O)NCC(c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000048015507 507435021 /nfs/dbraw/zinc/43/50/21/507435021.db2.gz SLTLKRNUZWZTDI-GOSISDBHSA-N 0 0 367.493 2.838 10 0 FFAERN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000058728528 507458540 /nfs/dbraw/zinc/45/85/40/507458540.db2.gz QUSHKSKKCZYXNT-MRXNPFEDSA-N 0 0 374.462 2.627 10 0 FFAERN C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1cnnn1)c1ccc(F)c(F)c1 ZINC000025761859 507531496 /nfs/dbraw/zinc/53/14/96/507531496.db2.gz JEQALPDISMHTDJ-YVEFUNNKSA-N 0 0 357.364 2.613 10 0 FFAERN CC(C)[C@@H](C)NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000025975186 507549240 /nfs/dbraw/zinc/54/92/40/507549240.db2.gz CMIPNQHAGHAHQN-SNVBAGLBSA-N 0 0 367.298 2.823 10 0 FFAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000048699580 507553284 /nfs/dbraw/zinc/55/32/84/507553284.db2.gz JDHOBPMBOJRRRU-LLVKDONJSA-N 0 0 351.834 2.566 10 0 FFAERN CCCOC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)o2)cc1 ZINC000048984663 507586197 /nfs/dbraw/zinc/58/61/97/507586197.db2.gz MNWQSTBDIKRCTO-CYBMUJFWSA-N 0 0 358.394 2.971 10 0 FFAERN C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)cc1 ZINC000060950177 507587125 /nfs/dbraw/zinc/58/71/25/507587125.db2.gz MVAIJGKZTHGLPL-SECBINFHSA-N 0 0 351.815 2.549 10 0 FFAERN C[C@@H]1CN(C(C)(C)CNC(=O)N[C@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000061140158 507599380 /nfs/dbraw/zinc/59/93/80/507599380.db2.gz UHZLJTWRJFYVGF-UXLLHSPISA-N 0 0 361.486 2.697 10 0 FFAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)o1 ZINC000070756973 507631648 /nfs/dbraw/zinc/63/16/48/507631648.db2.gz BXNYLSZRKYVCNV-YOEHRIQHSA-N 0 0 372.421 2.962 10 0 FFAERN C[C@@H](NC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000027861335 507687889 /nfs/dbraw/zinc/68/78/89/507687889.db2.gz SLEWTAQRPMTKBC-XUJVJEKNSA-N 0 0 354.447 2.570 10 0 FFAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000050606793 507694722 /nfs/dbraw/zinc/69/47/22/507694722.db2.gz WBYINEFKBDWRHU-VIFPVBQESA-N 0 0 353.469 2.592 10 0 FFAERN Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000063584222 507745560 /nfs/dbraw/zinc/74/55/60/507745560.db2.gz RXLAIOMYWBHDMM-UHFFFAOYSA-N 0 0 370.384 2.680 10 0 FFAERN CSCC[C@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)c1nc2ccccc2[nH]1 ZINC000051208676 507750372 /nfs/dbraw/zinc/75/03/72/507750372.db2.gz PIRDALSAVTURSB-PBHICJAKSA-N 0 0 374.510 2.732 10 0 FFAERN Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000029050991 507755554 /nfs/dbraw/zinc/75/55/54/507755554.db2.gz BCGRUHSXASJUSX-LBPRGKRZSA-N 0 0 371.462 2.544 10 0 FFAERN COc1ccc([C@H](NC(=O)c2ccnc(Cl)c2)c2nccn2C)cc1 ZINC000029133798 507761925 /nfs/dbraw/zinc/76/19/25/507761925.db2.gz YXJLKFGUBYSSDL-INIZCTEOSA-N 0 0 356.813 2.997 10 0 FFAERN CC(=O)Nc1ccc(OC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 ZINC000051386898 507768068 /nfs/dbraw/zinc/76/80/68/507768068.db2.gz FXPJZXXFUFYTFD-QGZVFWFLSA-N 0 0 366.417 2.642 10 0 FFAERN CC(C)CN1C(=O)CC[C@H]2CN(C(=O)c3noc4c3CCCC4)CC[C@H]21 ZINC000072479311 507797882 /nfs/dbraw/zinc/79/78/82/507797882.db2.gz YSSYIKAGFLOBFZ-GOEBONIOSA-N 0 0 359.470 2.663 10 0 FFAERN Cc1ccc(O[C@@H](C)CNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000072499757 507800126 /nfs/dbraw/zinc/80/01/26/507800126.db2.gz FLMJQCDFAPZXKM-GJZGRUSLSA-N 0 0 366.417 2.563 10 0 FFAERN C[C@H]1COc2ccccc2N1C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000072531433 507803721 /nfs/dbraw/zinc/80/37/21/507803721.db2.gz MMXSFENVSUOVMY-HNNXBMFYSA-N 0 0 365.433 2.748 10 0 FFAERN COc1cc(/C=C/C(=O)NCc2ccc(-n3ccnc3)nc2)cc(OC)c1 ZINC000031556366 507820126 /nfs/dbraw/zinc/82/01/26/507820126.db2.gz AXBGEMIWCXPRIO-GQCTYLIASA-N 0 0 364.405 2.614 10 0 FFAERN CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000106894887 507826571 /nfs/dbraw/zinc/82/65/71/507826571.db2.gz AZDVADWNXQYAPC-MRXNPFEDSA-N 0 0 354.472 2.615 10 0 FFAERN O=C(C[C@@H](O)c1cccc(F)c1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000089307611 507829062 /nfs/dbraw/zinc/82/90/62/507829062.db2.gz OYAGRAPXAFWTLJ-IAGOWNOFSA-N 0 0 372.444 2.931 10 0 FFAERN CCCN(C[C@H]1CCCCO1)C(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000106973226 507832471 /nfs/dbraw/zinc/83/24/71/507832471.db2.gz SFJZEIDOTCEKDI-GOSISDBHSA-N 0 0 370.453 2.619 10 0 FFAERN CC(C)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000072621453 507833005 /nfs/dbraw/zinc/83/30/05/507833005.db2.gz RQQSJLOYEPCHLL-YJBOKZPZSA-N 0 0 362.470 2.717 10 0 FFAERN O=C(c1ccn(-c2ccccc2F)n1)N1CCC(Nc2cccnn2)CC1 ZINC000107251199 507839793 /nfs/dbraw/zinc/83/97/93/507839793.db2.gz 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507846602 /nfs/dbraw/zinc/84/66/02/507846602.db2.gz QQVIOSLSLZXYQY-UHFFFAOYSA-N 0 0 364.804 2.876 10 0 FFAERN COc1ccccc1[C@@H](NC(=O)NC1CCC(O)CC1)c1ccccn1 ZINC000089592364 507848638 /nfs/dbraw/zinc/84/86/38/507848638.db2.gz NFMSFJDOVGEKMO-JFIBYHEFSA-N 0 0 355.438 2.782 10 0 FFAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCCn1cnc2ccccc21 ZINC000072785193 507852961 /nfs/dbraw/zinc/85/29/61/507852961.db2.gz XEMONKUBFNOHPG-OAHLLOKOSA-N 0 0 365.437 2.753 10 0 FFAERN CC(C)[C@@H](N[C@H](C)c1ccc(-n2cnnn2)cc1)c1nc(C2CC2)no1 ZINC000089670126 507855247 /nfs/dbraw/zinc/85/52/47/507855247.db2.gz YRTUBRZTTAOYMT-MLGOLLRUSA-N 0 0 353.430 2.971 10 0 FFAERN COc1ccc(C(=O)NCC(=O)NCCCc2c[nH]c3ccccc23)cc1 ZINC000107774826 507867011 /nfs/dbraw/zinc/86/70/11/507867011.db2.gz QQJNCHSJCNRBNH-UHFFFAOYSA-N 0 0 365.433 2.655 10 0 FFAERN CCc1nc(CNC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cs1 ZINC000107854163 507870089 /nfs/dbraw/zinc/87/00/89/507870089.db2.gz KIGNRHLZQJADET-ZDUSSCGKSA-N 0 0 366.531 2.788 10 0 FFAERN CCc1nc(CNC(=O)C(=O)Nc2cccc(OCC(C)C)c2)cs1 ZINC000107868882 507871083 /nfs/dbraw/zinc/87/10/83/507871083.db2.gz GREDHRKGEPSYMP-UHFFFAOYSA-N 0 0 361.467 2.995 10 0 FFAERN CCc1nc(CNC(=O)C(=O)Nc2ccc(C)c3ncccc23)cs1 ZINC000107868423 507871136 /nfs/dbraw/zinc/87/11/36/507871136.db2.gz WLYYLSUSJACCTD-UHFFFAOYSA-N 0 0 354.435 2.817 10 0 FFAERN CCc1nc(CNC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)cs1 ZINC000107868984 507871329 /nfs/dbraw/zinc/87/13/29/507871329.db2.gz GAXHWSZJKMHLQV-UHFFFAOYSA-N 0 0 373.356 2.859 10 0 FFAERN C[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)[C@H]1CO ZINC000089854252 507875215 /nfs/dbraw/zinc/87/52/15/507875215.db2.gz FZFGGTKGNQBGHL-GUYCJALGSA-N 0 0 367.877 2.801 10 0 FFAERN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CCC[C@@H](C)[C@@H]1CO ZINC000089857036 507875563 /nfs/dbraw/zinc/87/55/63/507875563.db2.gz WJAAUUKCPJICDP-PBHICJAKSA-N 0 0 359.470 2.856 10 0 FFAERN COCCn1c(C)c(C)nc1[S@@](=O)Cc1noc(-c2ccsc2)n1 ZINC000108070770 507877292 /nfs/dbraw/zinc/87/72/92/507877292.db2.gz IBLBCJZEPBUIIH-XMMPIXPASA-N 0 0 366.468 2.566 10 0 FFAERN O=C(C[S@@](=O)c1cc2c(cc1Cl)OCCO2)Nc1ccccc1F ZINC000108138233 507878473 /nfs/dbraw/zinc/87/84/73/507878473.db2.gz RKXROPLRWOKCPV-DEOSSOPVSA-N 0 0 369.801 2.997 10 0 FFAERN CCc1c(Cl)nc(C)nc1N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000078518647 507879077 /nfs/dbraw/zinc/87/90/77/507879077.db2.gz FLQLVZXXWQQDMW-SNVBAGLBSA-N 0 0 364.799 2.896 10 0 FFAERN CCOC(=O)CC[C@@H](C)NC(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000089939519 507888371 /nfs/dbraw/zinc/88/83/71/507888371.db2.gz OTISMPHACOJKKR-CQSZACIVSA-N 0 0 350.463 2.524 10 0 FFAERN Cc1nc(C)c(CCNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)s1 ZINC000108404998 507893253 /nfs/dbraw/zinc/89/32/53/507893253.db2.gz DBIQNPVAKVSVSU-GUYCJALGSA-N 0 0 370.540 2.617 10 0 FFAERN Cc1c(Br)cccc1C[S@@](=O)Cc1nnnn1C(C)C ZINC000090071339 507906570 /nfs/dbraw/zinc/90/65/70/507906570.db2.gz XPIZWHYCMYQZLU-FQEVSTJZSA-N 0 0 357.277 2.774 10 0 FFAERN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccc(OC)c2)cc1 ZINC000108618846 507908927 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508346634 /nfs/dbraw/zinc/34/66/34/508346634.db2.gz IHOHCZSBSFNZEJ-FZMZJTMJSA-N 0 0 368.275 2.819 10 0 FFAERN CS(=O)(=O)c1ccccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114807239 508349062 /nfs/dbraw/zinc/34/90/62/508349062.db2.gz ZEXIZWOQNPBLAF-GFCCVEGCSA-N 0 0 365.480 2.958 10 0 FFAERN O=C(NC1CCC2(CC1)OCCO2)N1CCC[C@@H](c2nccs2)C1 ZINC000114822198 508350675 /nfs/dbraw/zinc/35/06/75/508350675.db2.gz UUMKQAKXFXMTMA-CYBMUJFWSA-N 0 0 351.472 2.718 10 0 FFAERN O=C(NCc1cccnc1-n1ccnc1)N1CCC[C@H](c2nccs2)C1 ZINC000114822241 508350818 /nfs/dbraw/zinc/35/08/18/508350818.db2.gz DJKVTBGCOIGABB-HNNXBMFYSA-N 0 0 368.466 2.813 10 0 FFAERN O=C(NCCc1nc(-c2cccc(Cl)c2)no1)N[C@H]1CCCC[C@H]1O ZINC000114835158 508352331 /nfs/dbraw/zinc/35/23/31/508352331.db2.gz FHROSXSYRKGTIY-UONOGXRCSA-N 0 0 364.833 2.535 10 0 FFAERN Cc1ccc(OCCC(=O)N2CCC(Nc3cccnn3)CC2)c(C)c1 ZINC000114861767 508355138 /nfs/dbraw/zinc/35/51/38/508355138.db2.gz WBVIIFAFUHAHOG-UHFFFAOYSA-N 0 0 354.454 2.965 10 0 FFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCCOc1ccc(OC)cc1 ZINC000087563087 508355351 /nfs/dbraw/zinc/35/53/51/508355351.db2.gz RIHNOQJPKQXWRH-INIZCTEOSA-N 0 0 358.442 2.659 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)CCC(=O)c1cc(C)sc1C)CC2 ZINC000114866194 508355529 /nfs/dbraw/zinc/35/55/29/508355529.db2.gz XIBBNRAICKUDNV-CYBMUJFWSA-N 0 0 360.483 2.613 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)CC2 ZINC000114869327 508355829 /nfs/dbraw/zinc/35/58/29/508355829.db2.gz WCIOUQHXQNEJOK-LBPRGKRZSA-N 0 0 352.360 2.533 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CSc1nc2ccccc2o1 ZINC000088196580 508355889 /nfs/dbraw/zinc/35/58/89/508355889.db2.gz QLYZPQHYSQNFTJ-GFCCVEGCSA-N 0 0 357.439 2.725 10 0 FFAERN O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cncn2)ccn1 ZINC000114875113 508356401 /nfs/dbraw/zinc/35/64/01/508356401.db2.gz KTYYSBXAPOFXOE-UHFFFAOYSA-N 0 0 372.392 2.508 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCSc1ccc(OC)cc1 ZINC000088197252 508356394 /nfs/dbraw/zinc/35/63/94/508356394.db2.gz 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508363065 /nfs/dbraw/zinc/36/30/65/508363065.db2.gz IMOQDRCEMITQLC-OAHLLOKOSA-N 0 0 370.457 2.635 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]1c1ccc(OC)cc1)CC2 ZINC000114976584 508364001 /nfs/dbraw/zinc/36/40/01/508364001.db2.gz AFWGBZBDJLOOKM-WBVHZDCISA-N 0 0 369.469 2.711 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(OC)c1)CC2 ZINC000114978390 508364103 /nfs/dbraw/zinc/36/41/03/508364103.db2.gz RZYYZMFBWRPGJT-NVXWUHKLSA-N 0 0 369.469 2.711 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCCCC[C@H]1c1ccncc1)CC2 ZINC000114978052 508364141 /nfs/dbraw/zinc/36/41/41/508364141.db2.gz RLJFEDPOEBUTNG-SJORKVTESA-N 0 0 368.485 2.877 10 0 FFAERN COC(=O)[C@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)CCO1 ZINC000105254348 508367171 /nfs/dbraw/zinc/36/71/71/508367171.db2.gz UXLBAZNUJDGWFA-HZPDHXFCSA-N 0 0 366.845 2.765 10 0 FFAERN CN1CCO[C@@H](CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000105281115 508368772 /nfs/dbraw/zinc/36/87/72/508368772.db2.gz BSEJFYBGIRTINT-AWEZNQCLSA-N 0 0 372.296 2.998 10 0 FFAERN CC(C)CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2ccccc2)C1)C(C)C ZINC000115104154 508369228 /nfs/dbraw/zinc/36/92/28/508369228.db2.gz UCLDIMBLVWDPPY-FXAWDEMLSA-N 0 0 359.514 2.959 10 0 FFAERN Cc1c(Cl)cccc1NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000115202111 508374590 /nfs/dbraw/zinc/37/45/90/508374590.db2.gz WLAFLURNYWKTAJ-SUMWQHHRSA-N 0 0 360.845 2.930 10 0 FFAERN Cn1cc([C@H]2[C@H](C(=O)Nc3ccc(F)c(Cl)c3)CCC(=O)N2C)cn1 ZINC000115202753 508375183 /nfs/dbraw/zinc/37/51/83/508375183.db2.gz CPEFKHPUFSWAMS-WBMJQRKESA-N 0 0 364.808 2.761 10 0 FFAERN O=C(c1ccccc1NCc1nc(-c2ccoc2)no1)N1CCC[C@H](O)C1 ZINC000105606808 508378016 /nfs/dbraw/zinc/37/80/16/508378016.db2.gz CVTWPORCQUAXMB-AWEZNQCLSA-N 0 0 368.393 2.539 10 0 FFAERN O=C(c1cccc(NCc2nc(-c3ccoc3)no2)c1)N1CCC[C@@H](O)C1 ZINC000105607156 508378132 /nfs/dbraw/zinc/37/81/32/508378132.db2.gz DYNZVGYTWDGFLH-MRXNPFEDSA-N 0 0 368.393 2.539 10 0 FFAERN O=C(C[S@](=O)Cc1nc(-c2ccoc2)no1)Nc1cccc(Cl)c1 ZINC000105711829 508381634 /nfs/dbraw/zinc/38/16/34/508381634.db2.gz GBOVSZITRDFYRW-XMMPIXPASA-N 0 0 365.798 2.870 10 0 FFAERN C[C@@H](C(=O)Nc1cccc(F)c1)[S@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105711482 508381781 /nfs/dbraw/zinc/38/17/81/508381781.db2.gz HUBLNJZHYBVOQW-FORDYWAESA-N 0 0 363.370 2.745 10 0 FFAERN COc1ccsc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000105950517 508385706 /nfs/dbraw/zinc/38/57/06/508385706.db2.gz ABONKLFPEXGCJG-BETUJISGSA-N 0 0 361.467 2.695 10 0 FFAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CC3)cc1F ZINC000088826179 508386896 /nfs/dbraw/zinc/38/68/96/508386896.db2.gz ICXYMNIVEAHGAT-LBPRGKRZSA-N 0 0 369.396 2.835 10 0 FFAERN Cc1ccccc1COc1cccc(CC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000106020391 508388628 /nfs/dbraw/zinc/38/86/28/508388628.db2.gz ZZWRQWXZDHYYDV-NRFANRHFSA-N 0 0 368.477 2.563 10 0 FFAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000115404101 508391682 /nfs/dbraw/zinc/39/16/82/508391682.db2.gz IMPHGBURUIBHSY-AEFFLSMTSA-N 0 0 366.465 2.982 10 0 FFAERN CC1CCC(N(C(=O)CN2CCCN(c3cccnn3)CC2)C2CC2)CC1 ZINC000106069332 508391890 /nfs/dbraw/zinc/39/18/90/508391890.db2.gz KRUQBNSWPOHFKZ-UHFFFAOYSA-N 0 0 371.529 2.558 10 0 FFAERN Cc1ncc(CN2CCN(CC(=O)N(C)[C@@H]3CCCC[C@H]3C)CC2)s1 ZINC000106090007 508392513 /nfs/dbraw/zinc/39/25/13/508392513.db2.gz WNDVDSPXHCZSLL-CRAIPNDOSA-N 0 0 364.559 2.606 10 0 FFAERN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCN(Cc2cnc(C)s2)CC1 ZINC000106091478 508393156 /nfs/dbraw/zinc/39/31/56/508393156.db2.gz MEQYZYYOVCJQND-DOTOQJQBSA-N 0 0 364.559 2.749 10 0 FFAERN CC(C)(C)n1cc(CN2CCN(CCOc3ccccc3F)CC2)cn1 ZINC000106145532 508396260 /nfs/dbraw/zinc/39/62/60/508396260.db2.gz YOFJEWSXFSMCEB-UHFFFAOYSA-N 0 0 360.477 2.974 10 0 FFAERN CCOc1ccnc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)n1 ZINC000106153080 508396606 /nfs/dbraw/zinc/39/66/06/508396606.db2.gz WOVHBSGXKYLQNZ-UHFFFAOYSA-N 0 0 371.466 2.914 10 0 FFAERN Cc1cnn(C[C@H]2CN(Cc3coc(-c4cccc(F)c4)n3)CCO2)c1 ZINC000106195279 508397573 /nfs/dbraw/zinc/39/75/73/508397573.db2.gz ISDYSSJYXUVNGC-GOSISDBHSA-N 0 0 356.401 2.887 10 0 FFAERN CCOC(=O)c1ccc(NC(=O)CN2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000106224386 508398225 /nfs/dbraw/zinc/39/82/25/508398225.db2.gz QQEKXLLMQCADAO-GOSISDBHSA-N 0 0 370.453 2.644 10 0 FFAERN C[C@H]1Cc2cc(S(=O)(=O)N[C@@H](CN(C)C)c3ccccc3)ccc2O1 ZINC000106226814 508398395 /nfs/dbraw/zinc/39/83/95/508398395.db2.gz UTULNLOFETVGCN-KSSFIOAISA-N 0 0 360.479 2.591 10 0 FFAERN CCOc1ccc(CNC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1F ZINC000106320342 508399186 /nfs/dbraw/zinc/39/91/86/508399186.db2.gz RRYDVNBHFFWIRM-UHFFFAOYSA-N 0 0 370.388 2.830 10 0 FFAERN CC[C@H](O)CN1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 ZINC000106396457 508400186 /nfs/dbraw/zinc/40/01/86/508400186.db2.gz GXCJFRJYWUYDTK-INIZCTEOSA-N 0 0 359.495 2.647 10 0 FFAERN CC[C@H](O)CN1CCN(C(=O)Cc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000106394470 508400217 /nfs/dbraw/zinc/40/02/17/508400217.db2.gz BVIISLDFPCMAKV-SFHVURJKSA-N 0 0 373.522 2.576 10 0 FFAERN CC[C@@H](O)CN1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000106398035 508400292 /nfs/dbraw/zinc/40/02/92/508400292.db2.gz MXLKUYRVUHJXKO-HXUWFJFHSA-N 0 0 352.478 2.806 10 0 FFAERN CCCN(C[C@@H]1CCCCO1)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000106523811 508401534 /nfs/dbraw/zinc/40/15/34/508401534.db2.gz YNCPMTDARSQKDU-KSZLIROESA-N 0 0 369.550 2.865 10 0 FFAERN CCCN(C[C@H]1CCCCO1)C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000106524834 508401613 /nfs/dbraw/zinc/40/16/13/508401613.db2.gz PZGWNPILRSBCRK-GOSISDBHSA-N 0 0 361.486 2.879 10 0 FFAERN CCNC(=O)COc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)c1 ZINC000106616929 508403101 /nfs/dbraw/zinc/40/31/01/508403101.db2.gz XQTJOAUEEJKXBY-RTBURBONSA-N 0 0 368.433 2.952 10 0 FFAERN O=C(COCCOc1ccccc1)NCCOc1ccc(F)cc1F ZINC000106655728 508403237 /nfs/dbraw/zinc/40/32/37/508403237.db2.gz BRFMEXOBAMWHNH-UHFFFAOYSA-N 0 0 351.349 2.555 10 0 FFAERN Cc1noc(C)c1[C@@H](C)CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000152105617 508405744 /nfs/dbraw/zinc/40/57/44/508405744.db2.gz ZDBDTJQZAPJMOY-KSSFIOAISA-N 0 0 369.465 2.602 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(-c3ccccc3)on1)CC2 ZINC000127141706 508406167 /nfs/dbraw/zinc/40/61/67/508406167.db2.gz YDDDTHANWFQXOK-CYBMUJFWSA-N 0 0 352.398 2.632 10 0 FFAERN Cc1c2ccccc2oc(=O)c1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000156361561 508408109 /nfs/dbraw/zinc/40/81/09/508408109.db2.gz GWDOOWJVHLPZSX-LBPRGKRZSA-N 0 0 352.394 2.520 10 0 FFAERN CC1(C)C[C@H](NC(=O)CC2(CS(C)(=O)=O)CC2)c2ccccc2O1 ZINC000121743134 508408731 /nfs/dbraw/zinc/40/87/31/508408731.db2.gz VQBUKDJAIAARFA-AWEZNQCLSA-N 0 0 351.468 2.620 10 0 FFAERN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1C ZINC000127166693 508408949 /nfs/dbraw/zinc/40/89/49/508408949.db2.gz FGUOKTXLQRSMDH-OAHLLOKOSA-N 0 0 360.410 2.923 10 0 FFAERN O=C(NCc1ccn(C2CCCC2)n1)N1CC[C@H](Oc2ccncc2)C1 ZINC000152242804 508410671 /nfs/dbraw/zinc/41/06/71/508410671.db2.gz WEKBQVULWJWCKU-SFHVURJKSA-N 0 0 355.442 2.756 10 0 FFAERN O=C(Nc1ccc2c(c1)COC2)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000127193493 508412360 /nfs/dbraw/zinc/41/23/60/508412360.db2.gz UCPQYMKGSMYJGW-OAHLLOKOSA-N 0 0 357.435 2.866 10 0 FFAERN O=C(CCC(=O)N1CCC[C@H](Cn2cncn2)C1)c1ccc(Cl)cc1 ZINC000127202245 508414406 /nfs/dbraw/zinc/41/44/06/508414406.db2.gz BZUYCGKBRWCUPQ-AWEZNQCLSA-N 0 0 360.845 2.833 10 0 FFAERN O=C(NCCc1nc2c(s1)CCCC2)N1CCC(Cn2cccn2)CC1 ZINC000133553014 508415562 /nfs/dbraw/zinc/41/55/62/508415562.db2.gz AHQXVQAOLDFLBK-UHFFFAOYSA-N 0 0 373.526 2.883 10 0 FFAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000127235670 508418662 /nfs/dbraw/zinc/41/86/62/508418662.db2.gz KFUBBQHRTFNCML-LBPRGKRZSA-N 0 0 373.413 2.669 10 0 FFAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)CCc2cc(C)cc(C)c2)CC1 ZINC000133595410 508421492 /nfs/dbraw/zinc/42/14/92/508421492.db2.gz DUVSVLZJDGKWGT-UHFFFAOYSA-N 0 0 368.525 2.931 10 0 FFAERN O=C(NCCCO[C@@H]1CCOC1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000152318293 508423154 /nfs/dbraw/zinc/42/31/54/508423154.db2.gz YSDTWYQXRLRKLP-CABCVRRESA-N 0 0 360.376 2.655 10 0 FFAERN C[C@@H](CNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)Cc1cccs1 ZINC000156463831 508425197 /nfs/dbraw/zinc/42/51/97/508425197.db2.gz XLVMJOSIUVKCSM-OLZOCXBDSA-N 0 0 356.447 2.728 10 0 FFAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000121818092 508425308 /nfs/dbraw/zinc/42/53/08/508425308.db2.gz UONMYRSPSAJFAT-ZIFCJYIRSA-N 0 0 354.454 2.565 10 0 FFAERN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(C)o3)cc2C[C@H]1C ZINC000121825024 508426168 /nfs/dbraw/zinc/42/61/68/508426168.db2.gz UAAHMOUYDISEFV-YPMHNXCESA-N 0 0 362.451 2.925 10 0 FFAERN Cc1cccnc1[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)C(C)C ZINC000115691220 508426736 /nfs/dbraw/zinc/42/67/36/508426736.db2.gz WFGYKMNUNCQOAM-KRWDZBQOSA-N 0 0 368.485 2.845 10 0 FFAERN Cc1cc(C)cc(-c2nnc(NC(=O)N[C@@H]3CCc4ncnn4C3)s2)c1 ZINC000133652216 508430196 /nfs/dbraw/zinc/43/01/96/508430196.db2.gz WVRVLDHOYLKOIR-CYBMUJFWSA-N 0 0 369.454 2.550 10 0 FFAERN Cc1cnn(Cc2cc(C(=O)N3CCC[C@H]3C[C@H](O)c3ccco3)no2)c1 ZINC000156504858 508430389 /nfs/dbraw/zinc/43/03/89/508430389.db2.gz NTESNYFMNHNHLZ-YOEHRIQHSA-N 0 0 370.409 2.549 10 0 FFAERN Cc1cnn(CCNC(=O)c2cn(-c3ccc(Br)cc3)cn2)c1 ZINC000152357936 508431230 /nfs/dbraw/zinc/43/12/30/508431230.db2.gz PUKHGZDTWNLPOX-UHFFFAOYSA-N 0 0 374.242 2.570 10 0 FFAERN O=C(c1cccc(-n2ccnn2)c1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000156509277 508431445 /nfs/dbraw/zinc/43/14/45/508431445.db2.gz YYSLKKPUSWHIGZ-WBVHZDCISA-N 0 0 352.394 2.589 10 0 FFAERN O=C(NCc1cccc(N2CCCC2=O)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000156548286 508437687 /nfs/dbraw/zinc/43/76/87/508437687.db2.gz DUUKETCPZJTXSJ-UHFFFAOYSA-N 0 0 367.453 2.626 10 0 FFAERN CCc1nc(-c2ccc(C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)cc2)n[nH]1 ZINC000127391826 508443093 /nfs/dbraw/zinc/44/30/93/508443093.db2.gz SRDKCQJBVWKKHY-GFCCVEGCSA-N 0 0 358.442 2.836 10 0 FFAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)C1 ZINC000115839432 508445763 /nfs/dbraw/zinc/44/57/63/508445763.db2.gz GXNFYKDNXDLZBI-ZWKOTPCHSA-N 0 0 372.513 2.746 10 0 FFAERN CCOCCN1CCN(C(=O)c2cnc(-c3ccccc3)nc2C)C[C@@H]1C ZINC000152468560 508452796 /nfs/dbraw/zinc/45/27/96/508452796.db2.gz FJFBREAWRJZRFO-INIZCTEOSA-N 0 0 368.481 2.635 10 0 FFAERN Cc1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c(C)n1-c1nccs1 ZINC000127460924 508453658 /nfs/dbraw/zinc/45/36/58/508453658.db2.gz JARRJZBBLQVQHD-HNNXBMFYSA-N 0 0 370.482 2.695 10 0 FFAERN Cc1ccc([C@@H]2CN(C(=O)C[C@H](NC(N)=O)c3ccccc3C)CCO2)o1 ZINC000127486038 508457879 /nfs/dbraw/zinc/45/78/79/508457879.db2.gz KLTVZNJRGJVKEC-WMZOPIPTSA-N 0 0 371.437 2.596 10 0 FFAERN Cc1ccc([C@@H]2CN(C(=O)C[C@@H](NC(N)=O)c3ccccc3C)CCO2)o1 ZINC000127485799 508457972 /nfs/dbraw/zinc/45/79/72/508457972.db2.gz KLTVZNJRGJVKEC-AEFFLSMTSA-N 0 0 371.437 2.596 10 0 FFAERN Cn1ccnc1CC1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1 ZINC000121971315 508459797 /nfs/dbraw/zinc/45/97/97/508459797.db2.gz RITCBCKQFFTJFR-UHFFFAOYSA-N 0 0 366.465 2.864 10 0 FFAERN O=C(CN1CCO[C@@H]2CCCC[C@@H]21)NCc1ccc(OC(F)(F)F)cc1 ZINC000121977384 508460548 /nfs/dbraw/zinc/46/05/48/508460548.db2.gz YIJFKLYYBDHJBM-JKSUJKDBSA-N 0 0 372.387 2.845 10 0 FFAERN COC(=O)c1ccc(CCC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000133871273 508461887 /nfs/dbraw/zinc/46/18/87/508461887.db2.gz LIFVKMSZFZSILU-SFHVURJKSA-N 0 0 357.406 2.907 10 0 FFAERN COCCOc1ccccc1C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000122002851 508465173 /nfs/dbraw/zinc/46/51/73/508465173.db2.gz GVPXRSHYDSWSHO-SFHVURJKSA-N 0 0 358.486 2.832 10 0 FFAERN C[C@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3ccco3)ccc2N1S(C)(=O)=O ZINC000116047952 508465352 /nfs/dbraw/zinc/46/53/52/508465352.db2.gz PJZWEPUVSIWVRN-SUMWQHHRSA-N 0 0 374.462 2.968 10 0 FFAERN Cn1ccnc1CC1CCN(C(=O)c2cccnc2Br)CC1 ZINC000122009258 508466578 /nfs/dbraw/zinc/46/65/78/508466578.db2.gz PVBLKFWSKOBWSG-UHFFFAOYSA-N 0 0 363.259 2.673 10 0 FFAERN Cc1csc(C2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)n1 ZINC000156747180 508471161 /nfs/dbraw/zinc/47/11/61/508471161.db2.gz KGGTZZMKNGTINL-UHFFFAOYSA-N 0 0 373.478 2.676 10 0 FFAERN CCOC(=O)C1CCN(C(=O)CN2CC=C(c3ccccc3F)CC2)CC1 ZINC000127615239 508476708 /nfs/dbraw/zinc/47/67/08/508476708.db2.gz GPQWNTFVIIZKMI-UHFFFAOYSA-N 0 0 374.456 2.717 10 0 FFAERN CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000134039423 508484667 /nfs/dbraw/zinc/48/46/67/508484667.db2.gz RXSLDWSVHJJSKG-ZDUSSCGKSA-N 0 0 370.457 2.635 10 0 FFAERN CCOc1ccnc(N2CCN(C(=O)C[C@H](C)c3cccc(F)c3)CC2)n1 ZINC000116193614 508485362 /nfs/dbraw/zinc/48/53/62/508485362.db2.gz OYRBCHYPIQZNAK-HNNXBMFYSA-N 0 0 372.444 2.857 10 0 FFAERN O=C(NCCc1cccc(Cl)c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000152648080 508486937 /nfs/dbraw/zinc/48/69/37/508486937.db2.gz CKAZXPRYNKBMCE-UHFFFAOYSA-N 0 0 371.868 2.946 10 0 FFAERN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cccc(C(=O)N2CCCC2)n1 ZINC000152652932 508487365 /nfs/dbraw/zinc/48/73/65/508487365.db2.gz FRHFBHRRQHTTFJ-QKLQHJQFSA-N 0 0 361.445 2.633 10 0 FFAERN Cc1ccc(OCCC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cc1C ZINC000122145293 508488248 /nfs/dbraw/zinc/48/82/48/508488248.db2.gz CBSLGYVMSNLMFY-SFHVURJKSA-N 0 0 368.481 2.990 10 0 FFAERN CCOc1cc(C)ccc1CNC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000127714402 508489458 /nfs/dbraw/zinc/48/94/58/508489458.db2.gz PSFSEFJZQQZDLC-SFHVURJKSA-N 0 0 372.469 2.509 10 0 FFAERN CC(C)n1ncc2cc(CN3CCO[C@@H](Cn4cccn4)C3)c(Cl)nc21 ZINC000122174241 508493810 /nfs/dbraw/zinc/49/38/10/508493810.db2.gz ALLHLZIQVNLUIN-MRXNPFEDSA-N 0 0 374.876 2.763 10 0 FFAERN Cc1cc(C(=O)N[C@H](C)c2nnc3n2CCCC3)c(C)n1-c1nccs1 ZINC000134124474 508496264 /nfs/dbraw/zinc/49/62/64/508496264.db2.gz YNEOAYNCGKTMFZ-GFCCVEGCSA-N 0 0 370.482 2.969 10 0 FFAERN Cn1cc([C@@H]2CCN(CC(=O)Nc3ccccc3C(F)(F)F)C2)cn1 ZINC000116316544 508498357 /nfs/dbraw/zinc/49/83/57/508498357.db2.gz JUPHMASPSBOJBH-GFCCVEGCSA-N 0 0 352.360 2.867 10 0 FFAERN CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116320914 508499316 /nfs/dbraw/zinc/49/93/16/508499316.db2.gz OPSMDQGVSRATIV-LPHOPBHVSA-N 0 0 370.497 2.876 10 0 FFAERN COc1cccc2c(N[C@H]3CCCN(c4ccn(C)n4)C3=O)cc(C)nc12 ZINC000127788813 508500695 /nfs/dbraw/zinc/50/06/95/508500695.db2.gz CVCSDFHEBPNGJV-HNNXBMFYSA-N 0 0 365.437 2.893 10 0 FFAERN c1cnn(C[C@@H]2CN(Cc3ccccc3OCc3ccccn3)CCO2)c1 ZINC000122226342 508502477 /nfs/dbraw/zinc/50/24/77/508502477.db2.gz VEVCYMQXQJJLBQ-FQEVSTJZSA-N 0 0 364.449 2.758 10 0 FFAERN CCc1cc(=O)n2nc(N3CCC[C@H](Nc4ccccc4)C3)sc2n1 ZINC000152730247 508503802 /nfs/dbraw/zinc/50/38/02/508503802.db2.gz KBVQRCSBPYFIOK-HNNXBMFYSA-N 0 0 355.467 2.794 10 0 FFAERN Cn1cc([C@@H]2CCN(S(=O)(=O)Cc3ccccc3C(F)(F)F)C2)cn1 ZINC000116369665 508504065 /nfs/dbraw/zinc/50/40/65/508504065.db2.gz BZRGKNUAAQYWKP-GFCCVEGCSA-N 0 0 373.400 2.758 10 0 FFAERN O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127818182 508504850 /nfs/dbraw/zinc/50/48/50/508504850.db2.gz RJZCEQRVKQMVCB-CYBMUJFWSA-N 0 0 358.829 2.646 10 0 FFAERN CCN(CCCNC(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000116415887 508510108 /nfs/dbraw/zinc/51/01/08/508510108.db2.gz PPQIODNLVQCRJY-KRWDZBQOSA-N 0 0 355.486 2.836 10 0 FFAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)Nc3cccc(F)n3)C[C@@H]21 ZINC000134238382 508511770 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ZINC000171817138 510388681 /nfs/dbraw/zinc/38/86/81/510388681.db2.gz DRJIENDBSXRXDQ-MRXNPFEDSA-N 0 0 365.441 2.950 10 0 FFAERN O=C(c1cccc(-n2cccn2)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187696760 510391442 /nfs/dbraw/zinc/39/14/42/510391442.db2.gz UZHDWCFTKQTZTK-WMZOPIPTSA-N 0 0 353.447 2.782 10 0 FFAERN CCCOc1nc(C)ccc1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000190882948 510392058 /nfs/dbraw/zinc/39/20/58/510392058.db2.gz PZYQPGQDGYYPFA-AWEZNQCLSA-N 0 0 357.458 2.639 10 0 FFAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000187698775 510393349 /nfs/dbraw/zinc/39/33/49/510393349.db2.gz CNGHZCKHKBCICI-LJQANCHMSA-N 0 0 356.378 2.700 10 0 FFAERN Cc1nc(C[C@@H]2CCCN([C@@H]3CCN(c4ccccc4F)C3=O)C2)no1 ZINC000171823067 510393805 /nfs/dbraw/zinc/39/38/05/510393805.db2.gz DXRMBEVVRKOONX-WMLDXEAASA-N 0 0 358.417 2.577 10 0 FFAERN CSc1nccn1-c1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171822970 510393860 /nfs/dbraw/zinc/39/38/60/510393860.db2.gz BNJLVSAMBLMBEE-MRXNPFEDSA-N 0 0 368.466 2.663 10 0 FFAERN CCc1noc2ncc(C(=O)N3C[C@@H](c4ccsc4)[C@H](CO)C3)cc12 ZINC000187702006 510393868 /nfs/dbraw/zinc/39/38/68/510393868.db2.gz IXBYRBSAQNROFU-ZFWWWQNUSA-N 0 0 357.435 2.695 10 0 FFAERN COc1ccc(/C(C)=C/C(=O)N2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1 ZINC000194500325 510395879 /nfs/dbraw/zinc/39/58/79/510395879.db2.gz XUMBGUKGPIEUKQ-WCRPCQDQSA-N 0 0 370.453 2.954 10 0 FFAERN CN1CC[C@H](NC(=O)C[C@@H](O)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000246266729 510397168 /nfs/dbraw/zinc/39/71/68/510397168.db2.gz AGJKJOBZQFRFHC-NSHGMRRFSA-N 0 0 360.404 2.950 10 0 FFAERN Cc1nnnn1-c1cccc(NC(=O)N[C@H](C)COCc2ccccc2)c1 ZINC000174938875 510397411 /nfs/dbraw/zinc/39/74/11/510397411.db2.gz NJDVGGLPGNVHQP-CQSZACIVSA-N 0 0 366.425 2.698 10 0 FFAERN CCc1noc([C@H](C)N2CCN(C(=O)Nc3nc(C)c(C)s3)CC2)n1 ZINC000171837064 510399475 /nfs/dbraw/zinc/39/94/75/510399475.db2.gz WSGQINMBCYZTTG-NSHDSACASA-N 0 0 364.475 2.616 10 0 FFAERN CN(C)c1noc([C@@H]2CCCN(C(=O)/C=C/c3ccnc(Cl)c3)C2)n1 ZINC000194510926 510400923 /nfs/dbraw/zinc/40/09/23/510400923.db2.gz XBHRRJPYODQPPU-URWSZGRFSA-N 0 0 361.833 2.603 10 0 FFAERN CCOCCN1CCN(C(=O)CCc2c[nH]c3ccc(C)cc23)C[C@@H]1C ZINC000174952522 510401187 /nfs/dbraw/zinc/40/11/87/510401187.db2.gz BXWLGKCPIVEUCH-KRWDZBQOSA-N 0 0 357.498 2.978 10 0 FFAERN Cc1ccc2c(c1)[C@@H](NC(=O)NC1CCN(c3ncccn3)CC1)[C@H](C)C2 ZINC000181429046 510403826 /nfs/dbraw/zinc/40/38/26/510403826.db2.gz XYARIFITQNKGSU-BEFAXECRSA-N 0 0 365.481 2.987 10 0 FFAERN Cc1cc(N2CCN(C(=O)Nc3ccc(OC(F)F)c(F)c3)CC2)n[nH]1 ZINC000187726201 510403890 /nfs/dbraw/zinc/40/38/90/510403890.db2.gz WADSPXMXDFKIFP-UHFFFAOYSA-N 0 0 369.347 2.813 10 0 FFAERN COCc1cc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)ccc1OC ZINC000178054810 510404241 /nfs/dbraw/zinc/40/42/41/510404241.db2.gz UPNZVZWHCHSMFI-CQSZACIVSA-N 0 0 353.426 2.668 10 0 FFAERN O=C(NCc1ccccc1F)N1CCCN(C(=O)c2cccs2)CC1 ZINC000171845088 510405028 /nfs/dbraw/zinc/40/50/28/510405028.db2.gz YWASKXQKBDVKBX-UHFFFAOYSA-N 0 0 361.442 2.945 10 0 FFAERN CC(=O)NCc1ccc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)cc1 ZINC000174964553 510408804 /nfs/dbraw/zinc/40/88/04/510408804.db2.gz MSKWSEGFPQQWDH-UHFFFAOYSA-N 0 0 368.437 2.782 10 0 FFAERN Cc1nc(CN2CCCN(C(=O)Nc3ccc4ncsc4c3)CC2)no1 ZINC000174962504 510409362 /nfs/dbraw/zinc/40/93/62/510409362.db2.gz QZWBRYIEPKEBPP-UHFFFAOYSA-N 0 0 372.454 2.728 10 0 FFAERN Cn1cc([C@H]2CNCCN2C(=O)c2ccc(CCC(F)(F)F)cc2)cn1 ZINC000181440398 510409414 /nfs/dbraw/zinc/40/94/14/510409414.db2.gz JDPBNUMQYLJNPV-MRXNPFEDSA-N 0 0 366.387 2.702 10 0 FFAERN O=C(Cc1cn2ccccc2n1)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174965211 510409904 /nfs/dbraw/zinc/40/99/04/510409904.db2.gz LUVLZHPIPCOVCD-UHFFFAOYSA-N 0 0 351.410 2.723 10 0 FFAERN CCC[C@H]1CCc2nc(NC(=O)N3CCS(=O)(=O)C[C@@H]3C)sc2C1 ZINC000194544842 510417783 /nfs/dbraw/zinc/41/77/83/510417783.db2.gz CPCFAVSYZVLQGR-RYUDHWBXSA-N 0 0 371.528 2.699 10 0 FFAERN CCC(CC)n1nc(C)cc1C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000181454871 510417869 /nfs/dbraw/zinc/41/78/69/510417869.db2.gz RAWQKGNARWXXOZ-QAPCUYQASA-N 0 0 373.501 2.872 10 0 FFAERN Cc1cc(N2CCC[C@H](NC(=O)C(C)(C)c3ccc(C)cc3)C2=O)n(C)n1 ZINC000174985815 510421311 /nfs/dbraw/zinc/42/13/11/510421311.db2.gz SJHQYCMXLKRERU-KRWDZBQOSA-N 0 0 368.481 2.626 10 0 FFAERN CCC[C@@H]1CCc2nc(NC(=O)NC[C@H]3CN(C)CCO3)sc2C1 ZINC000194557552 510422336 /nfs/dbraw/zinc/42/23/36/510422336.db2.gz GCYRSHLXNLBWBL-OLZOCXBDSA-N 0 0 352.504 2.500 10 0 FFAERN Cc1cc(N2CCC[C@@H](NC(=O)C[C@@H](C)c3ccccc3F)C2=O)n(C)n1 ZINC000174992230 510424422 /nfs/dbraw/zinc/42/44/22/510424422.db2.gz RSTAMEDEGGGIKY-CXAGYDPISA-N 0 0 372.444 2.673 10 0 FFAERN CC[C@H]1CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C[C@H](C)O1 ZINC000171878434 510425424 /nfs/dbraw/zinc/42/54/24/510425424.db2.gz JVGADKCSDNSQTA-ZFWWWQNUSA-N 0 0 350.484 2.626 10 0 FFAERN O=C(Nc1nnc(C2CCC2)[nH]1)C1CCN(C(=O)c2cccs2)CC1 ZINC000184625579 510425972 /nfs/dbraw/zinc/42/59/72/510425972.db2.gz DUHAHRYYGKNXRZ-UHFFFAOYSA-N 0 0 359.455 2.625 10 0 FFAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCC(C)(C)c1ccccc1)CC2 ZINC000181477508 510430560 /nfs/dbraw/zinc/43/05/60/510430560.db2.gz CYXHBWLAFIGGKW-MRXNPFEDSA-N 0 0 355.486 2.993 10 0 FFAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000246343961 510437845 /nfs/dbraw/zinc/43/78/45/510437845.db2.gz IJKFOEYOZSSYCD-NILFDRSVSA-N 0 0 357.859 2.634 10 0 FFAERN COC(=O)CCCCCCNC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000171902265 510439861 /nfs/dbraw/zinc/43/98/61/510439861.db2.gz NKXCXGMWOBSISL-INIZCTEOSA-N 0 0 350.463 2.662 10 0 FFAERN O=C(NCCc1ccc2ccccc2c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171902230 510439937 /nfs/dbraw/zinc/43/99/37/510439937.db2.gz OWSRXRUQIOBGSH-FQEVSTJZSA-N 0 0 364.449 2.689 10 0 FFAERN C[C@@H](O)c1nc2ccccc2n1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000181506313 510445063 /nfs/dbraw/zinc/44/50/63/510445063.db2.gz TVYYNKSGWXBBJQ-CQSZACIVSA-N 0 0 374.462 2.962 10 0 FFAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3cccc(-n4cccc4)c3)CCO2)c1 ZINC000171912871 510448540 /nfs/dbraw/zinc/44/85/40/510448540.db2.gz IYOXNTCRUWJUJQ-IBGZPJMESA-N 0 0 365.437 2.915 10 0 FFAERN CC(C)c1nnc2n1C[C@H](NC(=O)Nc1nnc(C(C)(C)C)s1)CC2 ZINC000181519217 510451990 /nfs/dbraw/zinc/45/19/90/510451990.db2.gz OWYUNNRQTNVASF-SNVBAGLBSA-N 0 0 363.491 2.687 10 0 FFAERN CCn1cc([C@H]2CN(C(=O)NC[C@H](C)N(C)c3ccccc3)CCO2)cn1 ZINC000190988358 510453130 /nfs/dbraw/zinc/45/31/30/510453130.db2.gz HDVYPAQROFDQGX-QFBILLFUSA-N 0 0 371.485 2.511 10 0 FFAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000191002402 510460429 /nfs/dbraw/zinc/46/04/29/510460429.db2.gz YTYLJSUSAIGLGU-FFZOFVMBSA-N 0 0 368.477 2.551 10 0 FFAERN O=C(NCc1ncc(-c2ccccc2)cn1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000184692840 510466193 /nfs/dbraw/zinc/46/61/93/510466193.db2.gz MUVGTCKELYABCD-GHTZIAJQSA-N 0 0 366.465 2.980 10 0 FFAERN C[C@H](NC(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1)C(C)(C)C ZINC000171948948 510468608 /nfs/dbraw/zinc/46/86/08/510468608.db2.gz MEAQWOUFZQIVSQ-LBPRGKRZSA-N 0 0 353.488 2.560 10 0 FFAERN COCC(=O)Nc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000178178199 510474436 /nfs/dbraw/zinc/47/44/36/510474436.db2.gz YLWNNSWHFREFAY-LSDHHAIUSA-N 0 0 356.422 2.916 10 0 FFAERN O=C(Nc1ccc2ncccc2c1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246413822 510476553 /nfs/dbraw/zinc/47/65/53/510476553.db2.gz ICOAQFUEUGCRNJ-CGTJXYLNSA-N 0 0 365.433 2.637 10 0 FFAERN Cc1ccccc1OCCCNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181564426 510476831 /nfs/dbraw/zinc/47/68/31/510476831.db2.gz NSSWNJDPJHOYDN-INIZCTEOSA-N 0 0 371.485 2.793 10 0 FFAERN O=C(c1cccnc1)N1CCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175105416 510484666 /nfs/dbraw/zinc/48/46/66/510484666.db2.gz RHASBDDOJPTNIW-UHFFFAOYSA-N 0 0 366.396 2.834 10 0 FFAERN COc1cccc(OC)c1S(=O)(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000184726055 510485393 /nfs/dbraw/zinc/48/53/93/510485393.db2.gz HYOVQCHHMXXZMW-GFCCVEGCSA-N 0 0 368.480 2.729 10 0 FFAERN C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCCN(C)C(=O)C1 ZINC000191063863 510488115 /nfs/dbraw/zinc/48/81/15/510488115.db2.gz LJOIDVPRYQZSRU-QGZVFWFLSA-N 0 0 365.477 2.769 10 0 FFAERN Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171995252 510490382 /nfs/dbraw/zinc/49/03/82/510490382.db2.gz RBJLTERJPMIZKJ-LPHOPBHVSA-N 0 0 365.433 2.642 10 0 FFAERN Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1C(N)=O ZINC000171996344 510490725 /nfs/dbraw/zinc/49/07/25/510490725.db2.gz CFCZZJGQCMTYCA-APWZRJJASA-N 0 0 365.433 2.642 10 0 FFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@H](C)Cc1cccs1)CC2 ZINC000175126355 510494428 /nfs/dbraw/zinc/49/44/28/510494428.db2.gz XGIQZNNPIICYPA-ZIAGYGMSSA-N 0 0 361.515 2.956 10 0 FFAERN Cc1[nH]c(C(=O)N2CCOc3nc(C)ccc32)c(C)c1C(=O)OC(C)C ZINC000181605993 510497311 /nfs/dbraw/zinc/49/73/11/510497311.db2.gz AUBFVBMDXIZGAJ-UHFFFAOYSA-N 0 0 357.410 2.939 10 0 FFAERN Cc1csc([C@@H](NC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C2CC2)n1 ZINC000181609128 510498302 /nfs/dbraw/zinc/49/83/02/510498302.db2.gz BPUMOHXZFGEBNP-HIFRSBDPSA-N 0 0 374.514 2.932 10 0 FFAERN CCc1nc(C2(NC(=O)Cc3ccc(-n4cccn4)cc3)CCCC2)no1 ZINC000175139420 510500598 /nfs/dbraw/zinc/50/05/98/510500598.db2.gz DXHLVPXSAHCUON-UHFFFAOYSA-N 0 0 365.437 2.946 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)COc1c(C)cccc1C)CC2 ZINC000172018543 510501388 /nfs/dbraw/zinc/50/13/88/510501388.db2.gz NMTCHFJTEDNKEF-JKSUJKDBSA-N 0 0 371.485 2.539 10 0 FFAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000246463440 510502386 /nfs/dbraw/zinc/50/23/86/510502386.db2.gz FWDSTBNMFUQAJF-GVDBMIGSSA-N 0 0 362.470 2.733 10 0 FFAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000246461922 510502549 /nfs/dbraw/zinc/50/25/49/510502549.db2.gz FMDQRVQKSSUBHI-ZACQAIPSSA-N 0 0 367.449 2.635 10 0 FFAERN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)N[C@H]1CCCc2c(O)cccc21 ZINC000191103870 510506147 /nfs/dbraw/zinc/50/61/47/510506147.db2.gz QPVIKBWTROPAAM-DOMZBBRYSA-N 0 0 371.403 2.953 10 0 FFAERN CCc1nc(C2(NC(=O)c3ccc(-c4ncon4)cc3)CCCC2)no1 ZINC000175156191 510507690 /nfs/dbraw/zinc/50/76/90/510507690.db2.gz RBTJQCVNDACPJJ-UHFFFAOYSA-N 0 0 353.382 2.881 10 0 FFAERN CC(C)n1c2ccccc2nc1[C@@H](C)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000184769176 510508546 /nfs/dbraw/zinc/50/85/46/510508546.db2.gz LZGTTXQHIMMHBJ-RHSMWYFYSA-N 0 0 366.469 2.807 10 0 FFAERN CC(C)n1c2ccccc2nc1[C@@H](C)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000184769216 510508701 /nfs/dbraw/zinc/50/87/01/510508701.db2.gz LZGTTXQHIMMHBJ-PBHICJAKSA-N 0 0 366.469 2.807 10 0 FFAERN Cc1cc([C@H]2CN(S(=O)(=O)[C@@H](C)C(F)(F)F)CCO2)ccc1F ZINC000184774807 510511656 /nfs/dbraw/zinc/51/16/56/510511656.db2.gz LPVOUNUQCALYRC-GXFFZTMASA-N 0 0 355.353 2.788 10 0 FFAERN COc1ccnc(N2CCC(c3nc(Cc4ccccc4)no3)CC2)n1 ZINC000172045012 510514283 /nfs/dbraw/zinc/51/42/83/510514283.db2.gz DQRXIPCVSANPOW-UHFFFAOYSA-N 0 0 351.410 2.843 10 0 FFAERN COc1cc(C2(C(=O)NCc3ccnc(-n4ccnc4)c3)CC2)ccc1C ZINC000194763244 510516365 /nfs/dbraw/zinc/51/63/65/510516365.db2.gz KXDFMQGSTSIEBC-UHFFFAOYSA-N 0 0 362.433 2.932 10 0 FFAERN CN(C)c1c(Cl)cccc1NC(=O)N1CCN(Cc2ccon2)CC1 ZINC000175177010 510517989 /nfs/dbraw/zinc/51/79/89/510517989.db2.gz GYTQKFBLKDINTQ-UHFFFAOYSA-N 0 0 363.849 2.744 10 0 FFAERN O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@@H]1CNC(=O)C1 ZINC000194772332 510521900 /nfs/dbraw/zinc/52/19/00/510521900.db2.gz MNTQNQWFNAGUCN-ZDUSSCGKSA-N 0 0 351.431 2.962 10 0 FFAERN CN(C)c1nnc(-c2ccc(NC(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)cc2)o1 ZINC000246501172 510523154 /nfs/dbraw/zinc/52/31/54/510523154.db2.gz BPYYGFPOAWNXOX-RBSFLKMASA-N 0 0 371.441 2.738 10 0 FFAERN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2ncncc2Cl)C1 ZINC000175195007 510526188 /nfs/dbraw/zinc/52/61/88/510526188.db2.gz LGJZSETZZAOOKA-NSHDSACASA-N 0 0 367.236 2.801 10 0 FFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@@H]1COc2ccccc2C1 ZINC000172069970 510526899 /nfs/dbraw/zinc/52/68/99/510526899.db2.gz IZKCLJBMGBKOOM-DLBZAZTESA-N 0 0 354.454 2.887 10 0 FFAERN CCOC[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)C1 ZINC000187973313 510528099 /nfs/dbraw/zinc/52/80/99/510528099.db2.gz FKHOBXBXVYXIHU-QLFBSQMISA-N 0 0 358.454 2.609 10 0 FFAERN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)C1 ZINC000187973047 510528204 /nfs/dbraw/zinc/52/82/04/510528204.db2.gz LMAQUNJDNZMTQW-BRSBDYLESA-N 0 0 365.518 2.672 10 0 FFAERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC[C@@]2(O)CCc3ccccc32)c1 ZINC000246511721 510528341 /nfs/dbraw/zinc/52/83/41/510528341.db2.gz IIGMERQUWVECQH-KEQGGVEFSA-N 0 0 364.445 2.845 10 0 FFAERN COc1cccc(N2CC[C@@H](CNC(=O)C[C@@H](O)c3ccccc3)C2)c1 ZINC000246510898 510528512 /nfs/dbraw/zinc/52/85/12/510528512.db2.gz UBEJJPUNKVZALQ-OXJNMPFZSA-N 0 0 354.450 2.761 10 0 FFAERN Cc1nnnn1-c1cc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)ccc1F ZINC000184819111 510528862 /nfs/dbraw/zinc/52/88/62/510528862.db2.gz APOGARCZUHFGMU-OAHLLOKOSA-N 0 0 370.392 2.592 10 0 FFAERN COc1cccc(N2CC[C@H](CNC(=O)C[C@@H](O)c3ccccc3)C2)c1 ZINC000246510905 510529190 /nfs/dbraw/zinc/52/91/90/510529190.db2.gz UBEJJPUNKVZALQ-OXQOHEQNSA-N 0 0 354.450 2.761 10 0 FFAERN Cc1cnn(C[C@H]2CN(C(=O)c3nc(C)oc3-c3ccccc3)CCO2)c1 ZINC000184832620 510536872 /nfs/dbraw/zinc/53/68/72/510536872.db2.gz ILMUZHSGTKCRKV-QGZVFWFLSA-N 0 0 366.421 2.696 10 0 FFAERN COc1cc([C@@H](C)NC(=O)[C@@H]2CNC(=O)C2)ccc1OCc1ccccc1 ZINC000194814934 510540567 /nfs/dbraw/zinc/54/05/67/510540567.db2.gz JUGUVCGHMBQOKE-PBHICJAKSA-N 0 0 368.433 2.588 10 0 FFAERN CC(C)n1ccc(CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000172095723 510542577 /nfs/dbraw/zinc/54/25/77/510542577.db2.gz RYFIFMHCRCJWRE-GJZGRUSLSA-N 0 0 363.483 2.645 10 0 FFAERN C[C@@H]1CN(CCN(C)C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC000194827555 510546522 /nfs/dbraw/zinc/54/65/22/510546522.db2.gz JEOZODAVQALPAQ-LXTVHRRPSA-N 0 0 365.440 2.858 10 0 FFAERN O=C(NCc1ccc(Cn2cncn2)cc1)N1CCC[C@H]1c1ccco1 ZINC000172110544 510549144 /nfs/dbraw/zinc/54/91/44/510549144.db2.gz QEEFZCMVKLVAJY-KRWDZBQOSA-N 0 0 351.410 2.966 10 0 FFAERN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246554704 510553073 /nfs/dbraw/zinc/55/30/73/510553073.db2.gz HAHHDCSDQVGKBW-JQHSSLGASA-N 0 0 362.445 2.608 10 0 FFAERN COc1ccc([C@@H](C)C(=O)Nc2ccccc2CN2CCNC2=O)cc1 ZINC000181714603 510553927 /nfs/dbraw/zinc/55/39/27/510553927.db2.gz UMACVYKZPKZNIX-CQSZACIVSA-N 0 0 353.422 2.963 10 0 FFAERN Cc1csc([C@H]2CN(C[C@H]3CN(c4ccccc4)C(=O)O3)CCO2)n1 ZINC000246558977 510554505 /nfs/dbraw/zinc/55/45/05/510554505.db2.gz DJEMEYMWVKWIAS-JKSUJKDBSA-N 0 0 359.451 2.850 10 0 FFAERN Cc1noc([C@H]2COCCN2C(=O)[C@H](C)Oc2cccc3ccccc32)n1 ZINC000194847146 510555001 /nfs/dbraw/zinc/55/50/01/510555001.db2.gz BLKLKIOXQJXWNU-SUMWQHHRSA-N 0 0 367.405 2.899 10 0 FFAERN COc1cc(C)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)cc1F ZINC000184867610 510555751 /nfs/dbraw/zinc/55/57/51/510555751.db2.gz LSMGCBMGSRHARH-HOCLYGCPSA-N 0 0 374.416 2.578 10 0 FFAERN CCCN(C[C@H]1CCCCO1)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181717092 510556031 /nfs/dbraw/zinc/55/60/31/510556031.db2.gz FUBPHOCCJNZQJH-HZPDHXFCSA-N 0 0 363.506 2.707 10 0 FFAERN Cc1ncc(C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)c(C(C)C)n1 ZINC000172136745 510561733 /nfs/dbraw/zinc/56/17/33/510561733.db2.gz FKPGBLBVSLYYGU-GFCCVEGCSA-N 0 0 350.463 2.942 10 0 FFAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccn2ccnc2c1 ZINC000178357744 510563442 /nfs/dbraw/zinc/56/34/42/510563442.db2.gz HKEOYDJLSXHSND-DNVCBOLYSA-N 0 0 364.449 2.795 10 0 FFAERN CSc1nc(C)c(CCC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c(C)n1 ZINC000178358234 510563647 /nfs/dbraw/zinc/56/36/47/510563647.db2.gz MMFPDMOVZLNZBU-AEFFLSMTSA-N 0 0 357.479 2.522 10 0 FFAERN CN(C[C@H](c1cccs1)N1CCOCC1)S(=O)(=O)CC1CCCC1 ZINC000178360634 510564991 /nfs/dbraw/zinc/56/49/91/510564991.db2.gz CHBMEBDSQUWCCY-MRXNPFEDSA-N 0 0 372.556 2.573 10 0 FFAERN Cn1cc([C@H]2CCN(C(=O)Nc3ccccc3N3CCCC3=O)C2)cn1 ZINC000172144810 510566716 /nfs/dbraw/zinc/56/67/16/510566716.db2.gz LKXZRENMJOXAEW-AWEZNQCLSA-N 0 0 353.426 2.568 10 0 FFAERN C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000194871420 510567157 /nfs/dbraw/zinc/56/71/57/510567157.db2.gz OZRYGHQHJAVMJP-HIFRSBDPSA-N 0 0 366.421 2.644 10 0 FFAERN CCN(CCc1ccccc1)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181740565 510568158 /nfs/dbraw/zinc/56/81/58/510568158.db2.gz BCWQSRFSNIDLND-QGZVFWFLSA-N 0 0 355.486 2.991 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NC1(c3cccc(F)c3)CC1)CC2 ZINC000181741613 510568448 /nfs/dbraw/zinc/56/84/48/510568448.db2.gz SYDTXHYMUOXEHF-HNNXBMFYSA-N 0 0 357.433 2.844 10 0 FFAERN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1COc2ccccc21 ZINC000194880102 510572597 /nfs/dbraw/zinc/57/25/97/510572597.db2.gz JSONULBKVUSWBA-HNNXBMFYSA-N 0 0 365.838 2.754 10 0 FFAERN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000191256695 510572671 /nfs/dbraw/zinc/57/26/71/510572671.db2.gz DFGMHZGLVORKDT-STQMWFEESA-N 0 0 350.463 2.665 10 0 FFAERN Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)cc1Br ZINC000188061320 510572855 /nfs/dbraw/zinc/57/28/55/510572855.db2.gz SIJCUNQXJRQFKP-BXUZGUMPSA-N 0 0 369.259 2.688 10 0 FFAERN O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000184901085 510573019 /nfs/dbraw/zinc/57/30/19/510573019.db2.gz JOLUFNHCWDPTTA-NEPJUHHUSA-N 0 0 364.751 2.717 10 0 FFAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000188064720 510574832 /nfs/dbraw/zinc/57/48/32/510574832.db2.gz KADPHSKVWPLAEF-SECBINFHSA-N 0 0 369.899 2.805 10 0 FFAERN COc1ccc(Br)cc1CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246598981 510576843 /nfs/dbraw/zinc/57/68/43/510576843.db2.gz XGUVUGAEQOMBOA-CZUORRHYSA-N 0 0 369.303 2.610 10 0 FFAERN Cc1ccccc1[C@H](O)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000246600404 510577566 /nfs/dbraw/zinc/57/75/66/510577566.db2.gz QNEZGLHPIYMQJV-ZVDOUQERSA-N 0 0 366.461 2.754 10 0 FFAERN C[C@H](NC(=O)N1CCCN(C)C(=O)C1)c1nc(-c2ccccc2)cs1 ZINC000188075547 510578992 /nfs/dbraw/zinc/57/89/92/510578992.db2.gz JNSFQHPNLRMZSL-ZDUSSCGKSA-N 0 0 358.467 2.745 10 0 FFAERN Cc1nccc(N2CCN(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)n1 ZINC000184918972 510583220 /nfs/dbraw/zinc/58/32/20/510583220.db2.gz PBYCTIUJYPNENW-ZIAGYGMSSA-N 0 0 371.407 2.738 10 0 FFAERN CNC(=O)[C@H](NC(=O)N1CCC[C@@H]1Cc1ccccc1Cl)C(C)C ZINC000178399646 510583781 /nfs/dbraw/zinc/58/37/81/510583781.db2.gz OJTWLKJWSQDVJM-GDBMZVCRSA-N 0 0 351.878 2.827 10 0 FFAERN O=S(=O)(c1c[nH]c2ncccc12)N1CCC(Cc2ccccn2)CC1 ZINC000172180333 510585651 /nfs/dbraw/zinc/58/56/51/510585651.db2.gz NOXWBFXPDBZOTM-UHFFFAOYSA-N 0 0 356.451 2.601 10 0 FFAERN COC[C@H](NC(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000246617812 510586087 /nfs/dbraw/zinc/58/60/87/510586087.db2.gz QIIGUGYELXNLCI-JYJNAYRXSA-N 0 0 372.387 2.948 10 0 FFAERN Cc1cc(S(=O)(=O)N2CCC(Nc3nccs3)CC2)cnc1Cl ZINC000188088065 510586457 /nfs/dbraw/zinc/58/64/57/510586457.db2.gz HDLDXLFUWNQREW-UHFFFAOYSA-N 0 0 372.903 2.765 10 0 FFAERN C[C@@H]1C(=O)NCCCN1C(=O)COC(c1ccccc1)c1ccccc1 ZINC000188088521 510587393 /nfs/dbraw/zinc/58/73/93/510587393.db2.gz AZWWISGLZZJWIB-MRXNPFEDSA-N 0 0 352.434 2.530 10 0 FFAERN O=C(Nc1cccnc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000178408821 510587465 /nfs/dbraw/zinc/58/74/65/510587465.db2.gz OWSHVZYCCAYSOQ-AWEZNQCLSA-N 0 0 365.842 2.527 10 0 FFAERN O=S(=O)(Cc1ccc(F)cc1)N1CCC(Nc2nccs2)CC1 ZINC000188095744 510590932 /nfs/dbraw/zinc/59/09/32/510590932.db2.gz GWYONJAUKMVQAK-UHFFFAOYSA-N 0 0 355.460 2.689 10 0 FFAERN CC(C)c1nc2c(n1C)CCN(C(=O)c1cc(OCC(F)F)ccn1)C2 ZINC000181792566 510595611 /nfs/dbraw/zinc/59/56/11/510595611.db2.gz VLSBVCZWDRGMCB-UHFFFAOYSA-N 0 0 364.396 2.781 10 0 FFAERN O=C(N[C@@H]1CCCc2c[nH]nc21)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000269910902 510595701 /nfs/dbraw/zinc/59/57/01/510595701.db2.gz PCDIMKWPFJFTFC-DAXOMENPSA-N 0 0 362.380 2.583 10 0 FFAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NC[C@H](O)c2ccc(F)cc2)C1 ZINC000175341102 510598354 /nfs/dbraw/zinc/59/83/54/510598354.db2.gz JWGXJGZUOMDWPT-BMFZPTHFSA-N 0 0 366.433 2.669 10 0 FFAERN CCc1nsc(N2CCCN(C(=O)N[C@H](C)c3ccc(C)o3)CC2)n1 ZINC000175341290 510598638 /nfs/dbraw/zinc/59/86/38/510598638.db2.gz QYLKUKZWTBLFJX-CYBMUJFWSA-N 0 0 363.487 2.985 10 0 FFAERN Cc1ccc([C@H](CNC(=O)NCCc2ccccc2)N2CCOCC2)s1 ZINC000178427749 510599663 /nfs/dbraw/zinc/59/96/63/510599663.db2.gz YTRDOYVIQYUWJK-SFHVURJKSA-N 0 0 373.522 2.972 10 0 FFAERN COc1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2nccs2)ccc1F ZINC000188121333 510604493 /nfs/dbraw/zinc/60/44/93/510604493.db2.gz MKRIBHZJDWNUAG-CYBMUJFWSA-N 0 0 363.414 2.983 10 0 FFAERN CC(C)c1ccc([C@H](C)NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000172222501 510607445 /nfs/dbraw/zinc/60/74/45/510607445.db2.gz ULGOHQAAZABZLL-KSSFIOAISA-N 0 0 369.469 2.709 10 0 FFAERN CSc1ccccc1C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000172225209 510607926 /nfs/dbraw/zinc/60/79/26/510607926.db2.gz QQWRYCBOHQDPHQ-UHFFFAOYSA-N 0 0 358.511 2.717 10 0 FFAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000181814255 510608053 /nfs/dbraw/zinc/60/80/53/510608053.db2.gz YENSIFNEIRWYPW-DOTOQJQBSA-N 0 0 372.469 2.501 10 0 FFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1cc(F)c(F)cc1F ZINC000178447219 510608716 /nfs/dbraw/zinc/60/87/16/510608716.db2.gz LEVXHNRKPQHOCY-VFVAKGGASA-N 0 0 355.356 2.979 10 0 FFAERN CCOc1cccc2cc([C@H](C)NC(=O)N[C@@H](C(=O)NC)C(C)C)oc21 ZINC000178453517 510611299 /nfs/dbraw/zinc/61/12/99/510611299.db2.gz LHNNWBMALKPSPT-BLLLJJGKSA-N 0 0 361.442 2.962 10 0 FFAERN CCc1noc([C@H](C)N2CCN(Cc3nccn3-c3ccccc3)CC2)n1 ZINC000191339218 510612742 /nfs/dbraw/zinc/61/27/42/510612742.db2.gz JHEBULOPEBYYCK-INIZCTEOSA-N 0 0 366.469 2.697 10 0 FFAERN Cc1nc2ccccc2n1CCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000178462451 510615629 /nfs/dbraw/zinc/61/56/29/510615629.db2.gz YYSXNZTYOKJWOI-OXJNMPFZSA-N 0 0 356.470 2.681 10 0 FFAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccnc(Oc3ccccc3)c2)CC1 ZINC000175377632 510616321 /nfs/dbraw/zinc/61/63/21/510616321.db2.gz YRLRMKYCABJGBT-KRWDZBQOSA-N 0 0 370.453 2.794 10 0 FFAERN CN(CC(C)(C)CN1CCOCC1)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246688928 510618179 /nfs/dbraw/zinc/61/81/79/510618179.db2.gz WKNVQQNZRILUFY-VAMGGRTRSA-N 0 0 371.525 2.572 10 0 FFAERN COc1ccc(NC(=O)CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000246693910 510621838 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COCCNc1ccccc1CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246425134 510482629 /nfs/dbraw/zinc/48/26/29/510482629.db2.gz IIQMOTSFKFKEKK-BHIYHBOVSA-N 0 0 373.497 2.892 10 0 FFAERN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2csc(-c3cccnc3)n2)C1 ZINC000246427211 510484320 /nfs/dbraw/zinc/48/43/20/510484320.db2.gz AUZCITFZDYJMPQ-DOTOQJQBSA-N 0 0 356.495 2.690 10 0 FFAERN CNC(=O)c1cccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000171986456 510486905 /nfs/dbraw/zinc/48/69/05/510486905.db2.gz FRQFAYZSZXBVAO-IEBWSBKVSA-N 0 0 365.433 2.594 10 0 FFAERN CC(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000246436643 510487326 /nfs/dbraw/zinc/48/73/26/510487326.db2.gz JWQKULISUFQCCD-GFIVTLFCSA-N 0 0 371.543 2.752 10 0 FFAERN COC(=O)CCCCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171988588 510488437 /nfs/dbraw/zinc/48/84/37/510488437.db2.gz WBDTYHXJABOQSZ-FXAWDEMLSA-N 0 0 374.481 2.836 10 0 FFAERN CN1C(=O)CC[C@@H](C(=O)NCCOc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000171990772 510488990 /nfs/dbraw/zinc/48/89/90/510488990.db2.gz PZQPHDCOSBLFTH-QUCCMNQESA-N 0 0 370.424 2.930 10 0 FFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)COCc1ccccc1)CC2 ZINC000175127522 510494264 /nfs/dbraw/zinc/49/42/64/510494264.db2.gz KUDNMZCBYVQUML-DOTOQJQBSA-N 0 0 371.485 2.621 10 0 FFAERN COCCc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(C(C)C)cc2)n(C)n1 ZINC000178220222 510494845 /nfs/dbraw/zinc/49/48/45/510494845.db2.gz YFHXTOBOVPLLEW-CQSZACIVSA-N 0 0 372.469 2.548 10 0 FFAERN Cc1cc(C)cc(CCNC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000181600937 510495578 /nfs/dbraw/zinc/49/55/78/510495578.db2.gz LHNUHYVKEIKWHN-QGZVFWFLSA-N 0 0 355.486 2.875 10 0 FFAERN Cc1ccc2c(n1)OCCN2C(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000181604521 510496533 /nfs/dbraw/zinc/49/65/33/510496533.db2.gz GOTSPUDNOHZBTG-UHFFFAOYSA-N 0 0 352.394 2.713 10 0 FFAERN COc1ccc(F)cc1CNC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000187913796 510498597 /nfs/dbraw/zinc/49/85/97/510498597.db2.gz GWAIGNKACCGYLP-ZDUSSCGKSA-N 0 0 362.405 2.690 10 0 FFAERN Cc1cc(-c2ncccc2NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCO2)cs1 ZINC000187912767 510499055 /nfs/dbraw/zinc/49/90/55/510499055.db2.gz VOAWUAXBUQSTRK-WFASDCNBSA-N 0 0 359.451 2.741 10 0 FFAERN Cc1nn(C)c(Cl)c1CN1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000184751611 510500586 /nfs/dbraw/zinc/50/05/86/510500586.db2.gz AVQIGWLCRRHSCJ-OAHLLOKOSA-N 0 0 350.825 2.503 10 0 FFAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(-n2cnnn2)cc1 ZINC000178239536 510504298 /nfs/dbraw/zinc/50/42/98/510504298.db2.gz OHCVVCHYQGNEJI-OAHLLOKOSA-N 0 0 361.327 2.566 10 0 FFAERN CCc1nc(C2(NC(=O)C[C@H](NC(C)=O)c3ccccc3)CCCC2)no1 ZINC000175151710 510505993 /nfs/dbraw/zinc/50/59/93/510505993.db2.gz BCIMWNCSYLPYAP-INIZCTEOSA-N 0 0 370.453 2.785 10 0 FFAERN COc1cc(F)c(NC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cc1F ZINC000181624641 510506454 /nfs/dbraw/zinc/50/64/54/510506454.db2.gz FMTDFOZJLLWUIS-SNVBAGLBSA-N 0 0 365.384 2.825 10 0 FFAERN CC(C)n1c2ccccc2nc1[C@H](C)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000184769237 510509129 /nfs/dbraw/zinc/50/91/29/510509129.db2.gz LZGTTXQHIMMHBJ-YOEHRIQHSA-N 0 0 366.469 2.807 10 0 FFAERN CCOC(=O)[C@H](NC(=O)c1cccc2n[nH]nc21)c1ccc(Cl)cc1 ZINC000194761645 510514639 /nfs/dbraw/zinc/51/46/39/510514639.db2.gz HNQQSZFCYKWQHH-CQSZACIVSA-N 0 0 358.785 2.646 10 0 FFAERN CC(C)[C@@H](CNC(=O)CN1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000172052044 510517029 /nfs/dbraw/zinc/51/70/29/510517029.db2.gz GCETVKDMGDWRQX-AZUAARDMSA-N 0 0 354.498 2.765 10 0 FFAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N[C@H]1CCOC2(CCCC2)C1 ZINC000178268096 510518163 /nfs/dbraw/zinc/51/81/63/510518163.db2.gz CWDDXELGATWDLH-GOEBONIOSA-N 0 0 357.454 2.903 10 0 FFAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000172052282 510518514 /nfs/dbraw/zinc/51/85/14/510518514.db2.gz FXYXOWPRBQVUGO-QVKFZJNVSA-N 0 0 364.445 2.990 10 0 FFAERN COc1cc(C)ccc1CNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181648578 510521160 /nfs/dbraw/zinc/52/11/60/510521160.db2.gz GCXAYCCDFAOEHF-HNNXBMFYSA-N 0 0 357.458 2.533 10 0 FFAERN CSCc1ccccc1NC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000184801674 510521398 /nfs/dbraw/zinc/52/13/98/510521398.db2.gz OHYWMISDLKXLBH-INIZCTEOSA-N 0 0 360.483 2.987 10 0 FFAERN CN1C(=O)CC[C@H](C(=O)NC[C@@H](O)C2CCCCC2)[C@@H]1c1ccccc1 ZINC000246501198 510523693 /nfs/dbraw/zinc/52/36/93/510523693.db2.gz BRRDCCQVYJNKFL-NSHGMRRFSA-N 0 0 358.482 2.654 10 0 FFAERN CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000191156200 510527035 /nfs/dbraw/zinc/52/70/35/510527035.db2.gz WNOSGJHZLFBKCH-GOEBONIOSA-N 0 0 359.470 2.989 10 0 FFAERN Cc1ccc(-n2ncc(N3CCC[C@H]3CO)c(Cl)c2=O)cc1Cl ZINC000266342885 510528775 /nfs/dbraw/zinc/52/87/75/510528775.db2.gz IMJOVVVSRLFZGU-LBPRGKRZSA-N 0 0 354.237 2.809 10 0 FFAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)[C@H](C)C(=O)OC(C)C ZINC000246517109 510533371 /nfs/dbraw/zinc/53/33/71/510533371.db2.gz OZLHJADWIRJISY-ZMSDIMECSA-N 0 0 362.470 2.630 10 0 FFAERN CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)c1CC ZINC000181674148 510534146 /nfs/dbraw/zinc/53/41/46/510534146.db2.gz DYPULCRBIUUZGV-DJJJIMSYSA-N 0 0 368.481 2.936 10 0 FFAERN Cc1nc(C)n(C[C@@H]2CCCN([C@H]3CCN(c4ccccc4F)C3=O)C2)n1 ZINC000246524697 510535199 /nfs/dbraw/zinc/53/51/99/510535199.db2.gz FRYJBIBTMZKFBL-APWZRJJASA-N 0 0 371.460 2.552 10 0 FFAERN COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246521006 510535457 /nfs/dbraw/zinc/53/54/57/510535457.db2.gz FSGBESWRHIGOGS-XYJFISCASA-N 0 0 369.465 2.809 10 0 FFAERN CN(C(=O)c1ncncc1Cl)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000175216086 510536170 /nfs/dbraw/zinc/53/61/70/510536170.db2.gz OTNLFLAXMPXGBX-CYBMUJFWSA-N 0 0 365.220 2.661 10 0 FFAERN O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1cc(Br)ccc1F ZINC000178303263 510536201 /nfs/dbraw/zinc/53/62/01/510536201.db2.gz QUUMGQYMZGGWHS-LSDHHAIUSA-N 0 0 350.187 2.976 10 0 FFAERN Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](c3nccs3)C2)c(O)c1 ZINC000172091993 510538724 /nfs/dbraw/zinc/53/87/24/510538724.db2.gz MVYZRWGWJUDRIN-CQSZACIVSA-N 0 0 373.478 2.683 10 0 FFAERN O=C(CCc1nnc(-c2ccccc2)o1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000178331286 510550021 /nfs/dbraw/zinc/55/00/21/510550021.db2.gz PGEBUQCOTMMLPN-JXFKEZNVSA-N 0 0 355.438 2.823 10 0 FFAERN COc1ccc(C2(C(=O)N[C@@H]3CCCn4ncnc43)CCCC2)cc1OC ZINC000181709908 510550699 /nfs/dbraw/zinc/55/06/99/510550699.db2.gz LHVBFKYZPQLBIF-OAHLLOKOSA-N 0 0 370.453 2.758 10 0 FFAERN CO[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC[C@@H]1C ZINC000188021442 510553541 /nfs/dbraw/zinc/55/35/41/510553541.db2.gz QTMSPUZHUWLPLH-KBXCAEBGSA-N 0 0 362.445 2.561 10 0 FFAERN CCn1c(CCNC(=O)N2CC[C@H](c3cnn(C)c3)C2)nc2ccccc21 ZINC000172118941 510553766 /nfs/dbraw/zinc/55/37/66/510553766.db2.gz QIYOPTSISLBHLD-HNNXBMFYSA-N 0 0 366.469 2.531 10 0 FFAERN CCC(CC)(CCO)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000178343211 510556322 /nfs/dbraw/zinc/55/63/22/510556322.db2.gz NJRVLPNNLIENJE-HKUYNNGSSA-N 0 0 360.498 2.901 10 0 FFAERN COc1cccc(CNC(=O)N2CC3(CCOCC3)c3ccccc32)n1 ZINC000188031264 510558047 /nfs/dbraw/zinc/55/80/47/510558047.db2.gz HAXYZCKRSOPKFZ-UHFFFAOYSA-N 0 0 353.422 2.868 10 0 FFAERN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H]2COc3ccccc32)c1 ZINC000194854843 510558752 /nfs/dbraw/zinc/55/87/52/510558752.db2.gz LGVGIQPCOSBNRR-KRWDZBQOSA-N 0 0 374.462 2.581 10 0 FFAERN CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181725478 510561041 /nfs/dbraw/zinc/56/10/41/510561041.db2.gz YFVJQJRLZULOME-CVEARBPZSA-N 0 0 356.474 2.904 10 0 FFAERN COC(C)(C)CNC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000175268833 510562805 /nfs/dbraw/zinc/56/28/05/510562805.db2.gz XCFQMLJFLRUJLH-QMMMGPOBSA-N 0 0 373.236 2.519 10 0 FFAERN Cn1cc([C@H]2CCN(C(=O)Nc3ccccc3C(=O)N3CCCC3)C2)cn1 ZINC000172144498 510566522 /nfs/dbraw/zinc/56/65/22/510566522.db2.gz PMKFNDOZIAGOSP-HNNXBMFYSA-N 0 0 367.453 2.678 10 0 FFAERN CCc1ccc(C(=O)N2CCCN(Cc3cnn(CC)c3)CC2)c(O)c1 ZINC000191251371 510570056 /nfs/dbraw/zinc/57/00/56/510570056.db2.gz JBKVOOULTZMWDM-UHFFFAOYSA-N 0 0 356.470 2.519 10 0 FFAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1Cc3ccccc3C[C@H]1C)CC2 ZINC000181743015 510570352 /nfs/dbraw/zinc/57/03/52/510570352.db2.gz LNGDOIRFYYUWEJ-RHSMWYFYSA-N 0 0 353.470 2.873 10 0 FFAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-n2cncn2)cc1C ZINC000246589510 510572606 /nfs/dbraw/zinc/57/26/06/510572606.db2.gz ATUQFGGABWODBG-QGTPRVQTSA-N 0 0 368.437 2.522 10 0 FFAERN CC[C@@H](NC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1)c1ccncc1 ZINC000175293288 510574806 /nfs/dbraw/zinc/57/48/06/510574806.db2.gz CFXAUEKBIBCQOE-UXHICEINSA-N 0 0 368.481 2.594 10 0 FFAERN COc1ccc(-c2noc(CCC(=O)N[C@H]3COc4ccccc43)n2)cc1 ZINC000194884558 510574771 /nfs/dbraw/zinc/57/47/71/510574771.db2.gz NMXMYUYQQFFBRH-INIZCTEOSA-N 0 0 365.389 2.928 10 0 FFAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCc3ccc(F)cc3C1)CC2 ZINC000181756723 510576216 /nfs/dbraw/zinc/57/62/16/510576216.db2.gz AYENBJCMHCFAIF-MRXNPFEDSA-N 0 0 357.433 2.623 10 0 FFAERN CN(Cc1ncc(Cl)n1C)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000181760616 510578131 /nfs/dbraw/zinc/57/81/31/510578131.db2.gz QOGFTQDUXOCEMJ-LBPRGKRZSA-N 0 0 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/nfs/dbraw/zinc/10/72/00/535107200.db2.gz AYHUKBIXZIHHIG-AWEZNQCLSA-N 0 0 368.771 2.801 10 0 FFAERN CC(C)c1ccc([C@H](C)NC(=O)N2CCc3nn(C)c(=O)cc3C2)cc1 ZINC000073489807 535374202 /nfs/dbraw/zinc/37/42/02/535374202.db2.gz HEEPFICZKNKFDK-AWEZNQCLSA-N 0 0 354.454 2.733 10 0 FFAERN CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000027026888 535480923 /nfs/dbraw/zinc/48/09/23/535480923.db2.gz ACHRPBORQMVBQR-CYBMUJFWSA-N 0 0 357.410 2.519 10 0 FFAERN COC(=O)c1nn(C(C)C)c(N)c1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000725254569 570506096 /nfs/dbraw/zinc/50/60/96/570506096.db2.gz YWHFNHRWLFAKNB-GFCCVEGCSA-N 0 0 366.462 2.947 10 0 FFAERN COCc1nn(CC2CC2)c2c1CN(C(=O)c1cccc(OC)c1)CC2 ZINC000075874307 570619230 /nfs/dbraw/zinc/61/92/30/570619230.db2.gz VAKBFUCPSIIUHA-UHFFFAOYSA-N 0 0 355.438 2.647 10 0 FFAERN CCn1nccc1[C@@H]1OCC[C@H]1CNc1nn2cc(C(C)(C)C)nc2s1 ZINC000328619496 571135159 /nfs/dbraw/zinc/13/51/59/571135159.db2.gz FXAMRXDBHRFLEO-SWLSCSKDSA-N 0 0 374.514 3.494 10 0 FFAERN O=C1[C@@H](N2CC[C@H](Oc3cccnc3)C2)CCN1c1ccccc1Cl ZINC000152258368 728754301 /nfs/dbraw/zinc/75/43/01/728754301.db2.gz MYWNVMALIDFPST-YJBOKZPZSA-N 0 0 357.841 2.994 10 0 FFAERN C[C@@H](OC(=O)C[C@H]1COC(=O)C1)c1ccc(I)cc1 ZINC000152893375 728768070 /nfs/dbraw/zinc/76/80/70/728768070.db2.gz QOYVRXDKWMTPPH-ZJUUUORDSA-N 0 0 374.174 2.849 10 0 FFAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@](C)(CO)C2CCCCC2)C1 ZINC000152944306 728769270 /nfs/dbraw/zinc/76/92/70/728769270.db2.gz YOXWRYYWDLZLTP-KUHUBIRLSA-N 0 0 354.491 2.691 10 0 FFAERN Cc1noc([C@@H](C)N2CCN(C(=O)CCCSC(C)(C)C)CC2)n1 ZINC000154110881 728796132 /nfs/dbraw/zinc/79/61/32/728796132.db2.gz GTVBRJQSWAONCP-CYBMUJFWSA-N 0 0 354.520 2.895 10 0 FFAERN Cc1nc(C(=O)N[C@@H](C)c2cccc(Br)c2)c(=O)[nH]c1C ZINC000154135433 728796887 /nfs/dbraw/zinc/79/68/87/728796887.db2.gz BBPDKRNJQOJRQM-JTQLQIEISA-N 0 0 350.216 2.640 10 0 FFAERN Cc1nc(C(=O)N[C@H](C)c2cccc(Br)c2)c(=O)[nH]c1C ZINC000154135515 728797017 /nfs/dbraw/zinc/79/70/17/728797017.db2.gz BBPDKRNJQOJRQM-SNVBAGLBSA-N 0 0 350.216 2.640 10 0 FFAERN CCn1nnnc1-c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 ZINC000154514734 728805963 /nfs/dbraw/zinc/80/59/63/728805963.db2.gz RCSCCUNJENPLQH-VAWYXSNFSA-N 0 0 355.423 2.773 10 0 FFAERN COC[C@@H](C)C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000155598064 728832555 /nfs/dbraw/zinc/83/25/55/728832555.db2.gz MGEPCHXFDGJHBC-SECBINFHSA-N 0 0 354.756 2.921 10 0 FFAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)co1 ZINC000159261642 728903275 /nfs/dbraw/zinc/90/32/75/728903275.db2.gz YRVNHUKHUHZNJQ-LBPRGKRZSA-N 0 0 358.419 2.832 10 0 FFAERN O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000897919239 735293640 /nfs/dbraw/zinc/29/36/40/735293640.db2.gz DJUAIOSBTLSDRB-VBNZEHGJSA-N 0 0 356.447 2.959 10 0 FFAERN CC(C)[C@@H](C)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000017055734 727827744 /nfs/dbraw/zinc/82/77/44/727827744.db2.gz SYCIJBVQDNSCLW-SNVBAGLBSA-N 0 0 367.243 2.596 10 0 FFAERN Cc1ccccc1[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000041298430 727938832 /nfs/dbraw/zinc/93/88/32/727938832.db2.gz NLVXGMMPYRTAHG-NSHDSACASA-N 0 0 352.843 2.787 10 0 FFAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc2ccccc2c1 ZINC000045402409 728001717 /nfs/dbraw/zinc/00/17/17/728001717.db2.gz SVBSETRZMBWPDN-GOSISDBHSA-N 0 0 360.479 2.660 10 0 FFAERN CO[C@]1(C)C[C@H](NC(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1(C)C ZINC000073264211 728219011 /nfs/dbraw/zinc/21/90/11/728219011.db2.gz AJBINTDCYKKDMG-UMCXVIDHSA-N 0 0 354.491 3.000 10 0 FFAERN C[C@H]1C[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000075528543 728249048 /nfs/dbraw/zinc/24/90/48/728249048.db2.gz ZODHSPGKOMNJCG-SMDDNHRTSA-N 0 0 356.875 2.653 10 0 FFAERN COC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000076652093 728264554 /nfs/dbraw/zinc/26/45/54/728264554.db2.gz QOYFXLPRXQJEIZ-NVXWUHKLSA-N 0 0 350.434 2.987 10 0 FFAERN C[C@H](O)C1CCN(Cn2nc(-c3ccccc3F)n(C)c2=S)CC1 ZINC000077209348 728272490 /nfs/dbraw/zinc/27/24/90/728272490.db2.gz FIVWLYREZIYFRW-LBPRGKRZSA-N 0 0 350.463 2.807 10 0 FFAERN C[C@H](OC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[C@@H]1CCOC1 ZINC000079177516 728309926 /nfs/dbraw/zinc/30/99/26/728309926.db2.gz QDUJJJJEOFMSCW-WDEREUQCSA-N 0 0 355.316 2.868 10 0 FFAERN Cc1ccc(-n2cnnc2SCC(=O)O[C@H](C)[C@@H]2CCOC2)cc1C ZINC000079178766 728309974 /nfs/dbraw/zinc/30/99/74/728309974.db2.gz VSIIINPPHBBDJX-HUUCEWRRSA-N 0 0 361.467 2.944 10 0 FFAERN Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000081342206 728397475 /nfs/dbraw/zinc/39/74/75/728397475.db2.gz CTDMOWYBAJEEGK-HUUCEWRRSA-N 0 0 350.463 2.577 10 0 FFAERN CC(C)C[C@H](CCO)CNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000081822327 728405019 /nfs/dbraw/zinc/40/50/19/728405019.db2.gz XASMXTXVAGPUSV-HOTGVXAUSA-N 0 0 356.507 2.794 10 0 FFAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)Cn1cccn1 ZINC000083794234 728414553 /nfs/dbraw/zinc/41/45/53/728414553.db2.gz JKETWGQRZGGXCC-XJKSGUPXSA-N 0 0 363.845 2.923 10 0 FFAERN COC(=O)[C@@H]1CN(C(=O)c2cc(Br)ccc2Cl)C[C@@H]1C ZINC000094818821 728480242 /nfs/dbraw/zinc/48/02/42/728480242.db2.gz RMXRSKFHLQMKOI-GZMMTYOYSA-N 0 0 360.635 2.984 10 0 FFAERN CN(C)S(=O)(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000095529798 728480598 /nfs/dbraw/zinc/48/05/98/728480598.db2.gz HQNVZDSJPMLBSE-ZDUSSCGKSA-N 0 0 373.906 2.577 10 0 FFAERN C[C@@H](OC(=O)CCNC(=O)OCC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000102127171 728489020 /nfs/dbraw/zinc/48/90/20/728489020.db2.gz MWVUBNUONDGXQY-SECBINFHSA-N 0 0 359.304 2.846 10 0 FFAERN CCC[C@H]1CCc2c(sc(=O)n2CN(C)CC(=O)NC(C)(C)C)C1 ZINC000102763884 728492307 /nfs/dbraw/zinc/49/23/07/728492307.db2.gz LPMZGODBYTWEPK-ZDUSSCGKSA-N 0 0 353.532 2.619 10 0 FFAERN CC(C)(C)COC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103701420 728498801 /nfs/dbraw/zinc/49/88/01/728498801.db2.gz RXODGXLXQDMSQI-UHFFFAOYSA-N 0 0 353.484 2.993 10 0 FFAERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)c1ccc(C)cc1 ZINC000104848886 728503388 /nfs/dbraw/zinc/50/33/88/728503388.db2.gz RTBAQEGWDDZRCG-CVEARBPZSA-N 0 0 350.459 2.838 10 0 FFAERN C[C@@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000104952139 728503916 /nfs/dbraw/zinc/50/39/16/728503916.db2.gz SRZZXLJRUWXWSA-CXAGYDPISA-N 0 0 363.504 2.937 10 0 FFAERN COC(=O)N[C@@H](C(=O)OCc1nc2ccccc2n1C(F)F)C(C)C ZINC000108154795 728519951 /nfs/dbraw/zinc/51/99/51/728519951.db2.gz RSLZBHMNWVVJSX-CYBMUJFWSA-N 0 0 355.341 2.855 10 0 FFAERN C[C@H](NC(=O)C1(c2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000108456886 728521248 /nfs/dbraw/zinc/52/12/48/728521248.db2.gz QLGJQUSAFHRUJH-AWEZNQCLSA-N 0 0 358.463 2.967 10 0 FFAERN COC(=O)N[C@@H](C(=O)OCc1csc(Br)c1)C(C)C ZINC000108625541 728521674 /nfs/dbraw/zinc/52/16/74/728521674.db2.gz KQSMBRCEMRFSJV-SNVBAGLBSA-N 0 0 350.234 2.934 10 0 FFAERN CC(=O)N[C@@H](CC(=O)OCC(=O)C1CC1)c1ccc(Br)cc1 ZINC000109367642 728526556 /nfs/dbraw/zinc/52/65/56/728526556.db2.gz BOAXEGXKDFQNRI-AWEZNQCLSA-N 0 0 368.227 2.539 10 0 FFAERN CCOC(Cn1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)nn1)OCC ZINC000109700308 728528525 /nfs/dbraw/zinc/52/85/25/728528525.db2.gz XUDDIPQHKUBTDN-LBPRGKRZSA-N 0 0 366.849 2.822 10 0 FFAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)n1 ZINC000110892004 728533609 /nfs/dbraw/zinc/53/36/09/728533609.db2.gz KMLFWJGTOQHNLJ-GFCCVEGCSA-N 0 0 360.483 2.837 10 0 FFAERN C[C@@H](NC(=O)c1ccco1)C(=O)Oc1ccc(Br)c(F)c1 ZINC000112494704 728546132 /nfs/dbraw/zinc/54/61/32/728546132.db2.gz MYJSVOYRDRDBRT-MRVPVSSYSA-N 0 0 356.147 2.905 10 0 FFAERN Cn1cc([C@@H]2CCN(Cn3ncn(CCc4cccs4)c3=S)C2)cn1 ZINC000116258615 728570442 /nfs/dbraw/zinc/57/04/42/728570442.db2.gz HPKXQOMYCJSYSB-CQSZACIVSA-N 0 0 374.539 2.899 10 0 FFAERN COC(=O)C[C@@H](NS(=O)(=O)c1cnc(Cl)c(C)c1)c1ccccc1 ZINC000117358218 728578000 /nfs/dbraw/zinc/57/80/00/728578000.db2.gz PWTCJQTWDXRVKW-CQSZACIVSA-N 0 0 368.842 2.626 10 0 FFAERN Cc1cnn(CCNS(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000117927783 728579861 /nfs/dbraw/zinc/57/98/61/728579861.db2.gz AOYCIXHJAPVWGQ-UHFFFAOYSA-N 0 0 365.402 2.782 10 0 FFAERN CCN1CCN(C(=O)[C@@H](C)N[C@@H](C)c2ccccc2Br)CC1 ZINC000120960929 728618133 /nfs/dbraw/zinc/61/81/33/728618133.db2.gz XQHZRDBEMXSTIU-UONOGXRCSA-N 0 0 368.319 2.652 10 0 FFAERN Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCCN(c2ccc(C)nn2)CC1 ZINC000121061907 728619990 /nfs/dbraw/zinc/61/99/90/728619990.db2.gz WMTQVQMWYUEMBU-JKSUJKDBSA-N 0 0 356.495 2.997 10 0 FFAERN CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000121645513 728634039 /nfs/dbraw/zinc/63/40/39/728634039.db2.gz OXQCACHFVSSEGQ-CRAIPNDOSA-N 0 0 366.527 2.529 10 0 FFAERN CC(C)C(=O)NCCCNC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000121781164 728638954 /nfs/dbraw/zinc/63/89/54/728638954.db2.gz CCSPYQYKAZZIRJ-LBPRGKRZSA-N 0 0 370.291 2.972 10 0 FFAERN CCOCCN1CCN(C(=O)Nc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC000123923635 728664639 /nfs/dbraw/zinc/66/46/39/728664639.db2.gz VNZLZBDRELJVNG-GFCCVEGCSA-N 0 0 360.380 2.675 10 0 FFAERN Cc1nn(CCOC(=O)[C@@H]2CC[C@H](C)O2)c2ncc(Br)cc12 ZINC000126264882 728697247 /nfs/dbraw/zinc/69/72/47/728697247.db2.gz IFFNRFSFMQXTRE-ZANVPECISA-N 0 0 368.231 2.613 10 0 FFAERN O=C(c1sccc1OC(F)F)N1CCC(c2ccnn2CCO)CC1 ZINC000126299742 728698376 /nfs/dbraw/zinc/69/83/76/728698376.db2.gz LIIMQZINLDWOAJ-UHFFFAOYSA-N 0 0 371.409 2.558 10 0 FFAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1 ZINC000126490565 728703757 /nfs/dbraw/zinc/70/37/57/728703757.db2.gz YSAJPHYTNTYXPK-UHFFFAOYSA-N 0 0 374.750 2.619 10 0 FFAERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c(=O)n(C)c1 ZINC000129455546 728711589 /nfs/dbraw/zinc/71/15/89/728711589.db2.gz RQLCVHLXVGPNCH-GFCCVEGCSA-N 0 0 357.838 2.671 10 0 FFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)C[C@H](O)c1cccs1 ZINC000130515949 728718956 /nfs/dbraw/zinc/71/89/56/728718956.db2.gz DQVRWNLSLWFCMV-AVGNSLFASA-N 0 0 363.487 2.548 10 0 FFAERN CSc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000132735242 728725199 /nfs/dbraw/zinc/72/51/99/728725199.db2.gz LWPFDYPVVWKJPS-AWEZNQCLSA-N 0 0 350.465 2.646 10 0 FFAERN CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000134957380 728734478 /nfs/dbraw/zinc/73/44/78/728734478.db2.gz HYIQLIUKJAPWJM-CMPLNLGQSA-N 0 0 356.829 2.643 10 0 FFAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000135324051 728737584 /nfs/dbraw/zinc/73/75/84/728737584.db2.gz KIYJCRGRNZTKJM-FYCOFBDGSA-N 0 0 361.829 2.701 10 0 FFAERN CN(Cc1ccc(Cl)c(F)c1)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000135354858 728738006 /nfs/dbraw/zinc/73/80/06/728738006.db2.gz BXVUIKZNLXFMFD-CYBMUJFWSA-N 0 0 350.825 2.867 10 0 FFAERN COC(=O)N[C@@H](C(=O)NCc1ccc(F)cc1Br)C(C)C ZINC000170990476 728994430 /nfs/dbraw/zinc/99/44/30/728994430.db2.gz RKQYKHZXBSMZDA-GFCCVEGCSA-N 0 0 361.211 2.585 10 0 FFAERN Cc1nc(C[C@@H]2CCCN(Cn3c4cc(Cl)ccc4oc3=O)C2)no1 ZINC000171358658 729003371 /nfs/dbraw/zinc/00/33/71/729003371.db2.gz HMTBQHMGVUTRLK-LBPRGKRZSA-N 0 0 362.817 2.852 10 0 FFAERN O=C(NC/C=C/c1ccccc1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000171866599 729015003 /nfs/dbraw/zinc/01/50/03/729015003.db2.gz GJGGTQPIONMBGD-NADMHLTPSA-N 0 0 356.447 2.918 10 0 FFAERN CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(F)c(F)c1 ZINC000173218924 729042262 /nfs/dbraw/zinc/04/22/62/729042262.db2.gz IXCPTMGRDYEBHH-AWEZNQCLSA-N 0 0 356.369 2.564 10 0 FFAERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000173545421 729050018 /nfs/dbraw/zinc/05/00/18/729050018.db2.gz CJUFEFAIDVVJMS-HIFRSBDPSA-N 0 0 354.472 2.658 10 0 FFAERN CSC(C)(C)CNC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000175007549 729084609 /nfs/dbraw/zinc/08/46/09/729084609.db2.gz YZUJYKUETVEGAY-CQSZACIVSA-N 0 0 371.572 2.871 10 0 FFAERN Cc1nnc([C@@H]2CN(C(=O)N[C@H](C)c3ccc(Cl)s3)CCO2)[nH]1 ZINC000175378397 729094852 /nfs/dbraw/zinc/09/48/52/729094852.db2.gz PUTLOCRGDHMULA-SCZZXKLOSA-N 0 0 355.851 2.672 10 0 FFAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)OCC[C@@H]1CCCO1 ZINC000177931397 729150255 /nfs/dbraw/zinc/15/02/55/729150255.db2.gz ATGSSPKKLXEGGN-BLLLJJGKSA-N 0 0 355.381 2.832 10 0 FFAERN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000177980207 729151217 /nfs/dbraw/zinc/15/12/17/729151217.db2.gz PWEPTZJMKCFXCH-XHSDSOJGSA-N 0 0 354.491 2.811 10 0 FFAERN O=C(N[C@H]1CCCC[C@H]1CO)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000179255057 729181769 /nfs/dbraw/zinc/18/17/69/729181769.db2.gz JGVTZOFGRIRQDP-RYUDHWBXSA-N 0 0 364.339 2.642 10 0 FFAERN Cc1cc(NC(=O)[C@@H](C)NC(=O)c2ccco2)cnc1Br ZINC000180881221 729227804 /nfs/dbraw/zinc/22/78/04/729227804.db2.gz CSAVVJXEMABFEE-SECBINFHSA-N 0 0 352.188 2.503 10 0 FFAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCC(CO)CC1 ZINC000181096222 729234024 /nfs/dbraw/zinc/23/40/24/729234024.db2.gz YDHODWCRKQXGME-QWFMPGPPSA-N 0 0 366.889 2.762 10 0 FFAERN CCN(CC)S(=O)(=O)CC(=O)O[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000181524541 729250877 /nfs/dbraw/zinc/25/08/77/729250877.db2.gz FTDXTVIUVCLMEN-JTQLQIEISA-N 0 0 351.827 2.755 10 0 FFAERN CN(C)S(=O)(=O)c1cc(C(=O)O[C@H]2CCCc3ccccc32)n(C)c1 ZINC000182502782 729280566 /nfs/dbraw/zinc/28/05/66/729280566.db2.gz YHIFZULANSJSNF-KRWDZBQOSA-N 0 0 362.451 2.510 10 0 FFAERN CC(C)Cn1cc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)cn1 ZINC000183209316 729297841 /nfs/dbraw/zinc/29/78/41/729297841.db2.gz UCBNBRCFQSJNDZ-HNNXBMFYSA-N 0 0 350.463 2.668 10 0 FFAERN CNC(=O)[C@H](NCc1csc(-c2cccc(OC)c2OC)n1)C(C)C ZINC000183642124 729309648 /nfs/dbraw/zinc/30/96/48/729309648.db2.gz CSBVFTPQWMKKHH-OAHLLOKOSA-N 0 0 363.483 2.688 10 0 FFAERN CC(C)C[C@H](CO)N(C)C(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000184537042 729328155 /nfs/dbraw/zinc/32/81/55/729328155.db2.gz UFRBSVQEULBYAX-HRCADAONSA-N 0 0 356.507 2.935 10 0 FFAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)OCCCS(=O)(=O)N(C)C)cc1 ZINC000184804226 729333361 /nfs/dbraw/zinc/33/33/61/729333361.db2.gz ZZOPDGRTDPSGEL-SJORKVTESA-N 0 0 353.484 2.738 10 0 FFAERN C[C@H](NC(=O)NCCC1(C)OCCO1)c1cccc(Br)c1 ZINC000185463639 729350011 /nfs/dbraw/zinc/35/00/11/729350011.db2.gz MIAUQYFLRRPUCB-NSHDSACASA-N 0 0 357.248 2.962 10 0 FFAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCCOCC(F)F ZINC000185477805 729350333 /nfs/dbraw/zinc/35/03/33/729350333.db2.gz QWTNIIRJMPKMMJ-CQSZACIVSA-N 0 0 363.788 2.919 10 0 FFAERN C[C@@H](OC(=O)c1cc2c(cn1)nc[nH]c2=O)c1nc2ccccc2s1 ZINC000186176384 729361779 /nfs/dbraw/zinc/36/17/79/729361779.db2.gz MFWMTAXPGNKHOM-SECBINFHSA-N 0 0 352.375 2.846 10 0 FFAERN Cc1cc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)sc1Cl ZINC000188107107 729384427 /nfs/dbraw/zinc/38/44/27/729384427.db2.gz SANNBSQQOLTEBK-LBPRGKRZSA-N 0 0 358.872 2.947 10 0 FFAERN O=S(=O)(c1c[nH]c2cccc(F)c21)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000189733661 729401802 /nfs/dbraw/zinc/40/18/02/729401802.db2.gz OSTZMGNAIQCGQN-PXAZEXFGSA-N 0 0 352.431 2.623 10 0 FFAERN COC(=O)N[C@@H](C(=O)NCc1cccc(C)c1Br)C(C)C ZINC000190351036 729407360 /nfs/dbraw/zinc/40/73/60/729407360.db2.gz LVBIZKOIFOPYHF-CYBMUJFWSA-N 0 0 357.248 2.754 10 0 FFAERN CCOC[C@H](C)OC(=O)[C@H](CC)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000190780200 729411046 /nfs/dbraw/zinc/41/10/46/729411046.db2.gz QRQNPCFBLNICGH-FZMZJTMJSA-N 0 0 352.822 2.913 10 0 FFAERN C[C@H]1CN(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)C[C@H](C)O1 ZINC000193020109 729465784 /nfs/dbraw/zinc/46/57/84/729465784.db2.gz WBYRYSVGDOJKRI-QWRGUYRKSA-N 0 0 359.348 2.620 10 0 FFAERN CCCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2cccs2)cc1 ZINC000193527641 729481937 /nfs/dbraw/zinc/48/19/37/729481937.db2.gz GPQGBMXAXRSKCG-LBPRGKRZSA-N 0 0 359.451 2.704 10 0 FFAERN COc1ccccc1C(=O)N[C@H](C(=O)OCc1cc(C)sn1)C(C)C ZINC000193544726 729482469 /nfs/dbraw/zinc/48/24/69/729482469.db2.gz ODVUFAJNHZRFFY-INIZCTEOSA-N 0 0 362.451 2.958 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(OC(F)(F)Cl)cc1)CC2 ZINC000194612841 729515806 /nfs/dbraw/zinc/51/58/06/729515806.db2.gz UARDBXOBOSFCIR-NSHDSACASA-N 0 0 370.787 2.753 10 0 FFAERN Cc1csc([C@@H]2CCCN(CN3C(=O)N[C@@H](CC(C)C)C3=O)C2)n1 ZINC000195306373 729535341 /nfs/dbraw/zinc/53/53/41/729535341.db2.gz DEELRKMKLQUXME-KGLIPLIRSA-N 0 0 350.488 2.555 10 0 FFAERN CCc1csc([C@@H]2CCCN(Cn3ncn(CCOC)c3=S)C2)n1 ZINC000195311909 729535627 /nfs/dbraw/zinc/53/56/27/729535627.db2.gz RUNLOHPLFAZFPN-CYBMUJFWSA-N 0 0 367.544 2.916 10 0 FFAERN Cc1ccccc1[C@H](C)NC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000198932066 729542623 /nfs/dbraw/zinc/54/26/23/729542623.db2.gz QXLMJPOSTBJGFZ-BLLLJJGKSA-N 0 0 355.360 2.746 10 0 FFAERN Cc1ccc([C@H](C)NC(=O)c2sccc2S(=O)(=O)N2CCCC2)o1 ZINC000199000940 729542865 /nfs/dbraw/zinc/54/28/65/729542865.db2.gz BVNHFPFCSNZFIU-LBPRGKRZSA-N 0 0 368.480 2.925 10 0 FFAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000245618219 729572818 /nfs/dbraw/zinc/57/28/18/729572818.db2.gz ADKDBJLAXYFJQD-UAGQMJEPSA-N 0 0 366.889 2.714 10 0 FFAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC[C@@]2(C)CCCC[C@@H]2O)C1 ZINC000247125974 729594668 /nfs/dbraw/zinc/59/46/68/729594668.db2.gz XLLIGDNEANSGMU-YZVOILCLSA-N 0 0 354.491 2.691 10 0 FFAERN CCOC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000247429002 729597724 /nfs/dbraw/zinc/59/77/24/729597724.db2.gz LRZAQZDNZPITPI-BZUAXINKSA-N 0 0 354.491 2.955 10 0 FFAERN C[C@H](OC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCOC1 ZINC000247963132 729600735 /nfs/dbraw/zinc/60/07/35/729600735.db2.gz DDLUOIDYKAYVRT-AKENFEQQSA-N 0 0 369.820 2.967 10 0 FFAERN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](CC)(CO)C1 ZINC000249502707 729618300 /nfs/dbraw/zinc/61/83/00/729618300.db2.gz JKIBLEYFUWOENT-KHYOSLBOSA-N 0 0 356.507 2.937 10 0 FFAERN C[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000249648522 729620317 /nfs/dbraw/zinc/62/03/17/729620317.db2.gz STHWAGMMXQEFAI-QXKUPLGCSA-N 0 0 352.475 2.563 10 0 FFAERN C/C(=C/C(=O)NC[C@H](C)N1CCOCC1)c1ccccc1C(F)(F)F ZINC000255282475 729635191 /nfs/dbraw/zinc/63/51/91/729635191.db2.gz MVEIYATZDAXGBT-FZDNWWAKSA-N 0 0 356.388 2.946 10 0 FFAERN C[C@@H]1CN(S(=O)(=O)/C=C\c2cccc(Br)c2)C[C@@H](C)O1 ZINC000255909852 729648892 /nfs/dbraw/zinc/64/88/92/729648892.db2.gz NSCGCFXMSILKKC-UXFRKABBSA-N 0 0 360.273 2.859 10 0 FFAERN C[C@@H](O)[C@H](C)NC(=O)c1cc(Br)sc1Br ZINC000307234272 729738846 /nfs/dbraw/zinc/73/88/46/729738846.db2.gz MIQKLPRSRBYOEI-CRCLSJGQSA-N 0 0 357.067 2.772 10 0 FFAERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)CSC[C@@H]1CCCCO1)C2 ZINC000332750148 729804166 /nfs/dbraw/zinc/80/41/66/729804166.db2.gz PPWKVVWUHPFGLF-CABCVRRESA-N 0 0 365.543 2.914 10 0 FFAERN CO[C@@H]1[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)C1(C)C ZINC000332808101 729804486 /nfs/dbraw/zinc/80/44/86/729804486.db2.gz HMEARPMXGCHJST-NZBPQXDJSA-N 0 0 350.484 2.528 10 0 FFAERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC[C@@H](n2cncn2)C1 ZINC000332979116 729805564 /nfs/dbraw/zinc/80/55/64/729805564.db2.gz PNKMFBVGYAMITO-BFHYXJOUSA-N 0 0 359.396 2.993 10 0 FFAERN C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)CCS1(=O)=O ZINC000333030616 729805743 /nfs/dbraw/zinc/80/57/43/729805743.db2.gz NKYUYPXMLIJEET-UPJWGTAASA-N 0 0 370.437 2.574 10 0 FFAERN Cc1ccc(Br)c(NC(=O)N2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000333424498 729807828 /nfs/dbraw/zinc/80/78/28/729807828.db2.gz SIXWBZXHVACZBR-JTQLQIEISA-N 0 0 350.220 2.897 10 0 FFAERN O=C(Nc1cc2c(cc1Cl)OCCCO2)N1CC[C@@H](c2nnc[nH]2)C1 ZINC000333423923 729807844 /nfs/dbraw/zinc/80/78/44/729807844.db2.gz SGRWZDPJWMZXPT-SNVBAGLBSA-N 0 0 363.805 2.641 10 0 FFAERN Cc1c(NC(=O)N[C@H]2CCc3cc(Br)ccc32)nnn1C ZINC000333487163 729808458 /nfs/dbraw/zinc/80/84/58/729808458.db2.gz CAAUGUJGCMIZTK-LBPRGKRZSA-N 0 0 350.220 2.695 10 0 FFAERN C[C@@]12CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333697662 729810538 /nfs/dbraw/zinc/81/05/38/729810538.db2.gz NKUFSXDDVJWWJM-GFIVTLFCSA-N 0 0 361.511 2.739 10 0 FFAERN Cn1ncc2c1CCCN(C(=O)N[C@H]1CCO[C@H](c3cccs3)C1)C2 ZINC000334136606 729814161 /nfs/dbraw/zinc/81/41/61/729814161.db2.gz YWWHZKQWXIOMMT-HOCLYGCPSA-N 0 0 360.483 2.860 10 0 FFAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2c2cn[nH]c2)nn1CC(F)(F)F ZINC000886078530 733746295 /nfs/dbraw/zinc/74/62/95/733746295.db2.gz ZTNIVPGWXAXTIA-YPMHNXCESA-N 0 0 357.336 2.583 10 0 FFAERN Nc1ccc([C@H]2CCCN2Cc2ccc(Cl)cc2-n2cncn2)nn1 ZINC000886079894 733746560 /nfs/dbraw/zinc/74/65/60/733746560.db2.gz BFOAMOZXKHQBCU-OAHLLOKOSA-N 0 0 355.833 2.630 10 0 FFAERN FC(F)(F)c1ccc(NC[C@@H]2CCO[C@@H]2c2nc(C3CC3)no2)nn1 ZINC000888078625 734010758 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O=C(CN1CC[C@@H](CCO)C1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000329619771 258143340 /nfs/dbraw/zinc/14/33/40/258143340.db2.gz QZBQXAJRKXYFNM-HNNXBMFYSA-N 0 0 357.454 2.638 10 0 FFAERN O=C(c1ccc(OC2CCOCC2)cc1)N1CCC[C@@H](n2cccn2)C1 ZINC000329633869 258143403 /nfs/dbraw/zinc/14/34/03/258143403.db2.gz WUZWQAOODMKIGB-QGZVFWFLSA-N 0 0 355.438 2.918 10 0 FFAERN Cc1nn(C)c2sc(-c3nc([C@H]4C[N@@H+]5CCC[C@@]5(C)CO4)no3)cc12 ZINC000329700022 258145323 /nfs/dbraw/zinc/14/53/23/258145323.db2.gz ZLCLPCDNIZXHHT-PXAZEXFGSA-N 0 0 359.455 2.919 10 0 FFAERN Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCc3c[nH]nc3C2)c1Cl ZINC000329794143 258147351 /nfs/dbraw/zinc/14/73/51/258147351.db2.gz BQZIBWFFSGIQFZ-SNVBAGLBSA-N 0 0 360.266 2.861 10 0 FFAERN O=C([C@@H]1CCCCC(=O)N1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000329835467 258148631 /nfs/dbraw/zinc/14/86/31/258148631.db2.gz MBXFLSXXKSSRJX-YJBOKZPZSA-N 0 0 350.846 2.745 10 0 FFAERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc3c(c1)OCCO3)CCC2 ZINC000332678351 258240100 /nfs/dbraw/zinc/24/01/00/258240100.db2.gz CYLHEGZEOGEMRR-BBWFWOEESA-N 0 0 367.449 2.760 10 0 FFAERN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000332760193 258241841 /nfs/dbraw/zinc/24/18/41/258241841.db2.gz WXENGGAKRUZAGS-HZUKXOBISA-N 0 0 366.870 2.827 10 0 FFAERN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000332755233 258241843 /nfs/dbraw/zinc/24/18/43/258241843.db2.gz MIFGBUZXGPVIQD-DYQSUWPFSA-N 0 0 371.264 2.795 10 0 FFAERN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000332834416 258242439 /nfs/dbraw/zinc/24/24/39/258242439.db2.gz CHJSPFKZDXHHHO-UHOFOFEASA-N 0 0 359.474 2.589 10 0 FFAERN COCCn1cc2c(n1)[C@@H](NC(=O)N1CCC[C@@H]1c1ccncc1)CCC2 ZINC000332859301 258242931 /nfs/dbraw/zinc/24/29/31/258242931.db2.gz FTCXCWBUJONNBH-ZWKOTPCHSA-N 0 0 369.469 2.849 10 0 FFAERN COCCn1cc2c(n1)[C@@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)CCC2 ZINC000332875309 258243084 /nfs/dbraw/zinc/24/30/84/258243084.db2.gz WIKITKIYPXWXGW-GJZGRUSLSA-N 0 0 364.490 2.552 10 0 FFAERN Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)C2)nn1 ZINC000332885494 258243266 /nfs/dbraw/zinc/24/32/66/258243266.db2.gz PNQBJYGKPNNIQP-NVXWUHKLSA-N 0 0 372.856 2.527 10 0 FFAERN Cc1nc([C@H]2CCCN(C(=O)N[C@H]3CCN(C(C)C)C3=O)C2)sc1C ZINC000332901554 258243354 /nfs/dbraw/zinc/24/33/54/258243354.db2.gz PAQHKAMZYLJHRR-GJZGRUSLSA-N 0 0 364.515 2.658 10 0 FFAERN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@]2(CCOC2)O1 ZINC000332957750 258244103 /nfs/dbraw/zinc/24/41/03/258244103.db2.gz NVGJOLYZHAOEAE-BHPKHCPMSA-N 0 0 350.381 2.697 10 0 FFAERN C[C@H](COCc1ccccc1)NC(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000332980986 258244375 /nfs/dbraw/zinc/24/43/75/258244375.db2.gz UVGIRYQVRLMCRD-HLIPFELVSA-N 0 0 362.470 2.571 10 0 FFAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)NC[C@@]2(C)CCCS2)C1 ZINC000332999443 258244646 /nfs/dbraw/zinc/24/46/46/258244646.db2.gz CNUCKDFTNQSEJS-RDTXWAMCSA-N 0 0 364.515 2.596 10 0 FFAERN O=C(CCc1nc2ccccc2o1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333014206 258245351 /nfs/dbraw/zinc/24/53/51/258245351.db2.gz BSEANIVBXMFVSC-CABCVRRESA-N 0 0 355.438 2.668 10 0 FFAERN COc1cccc(C[C@H](C)NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000333050588 258246871 /nfs/dbraw/zinc/24/68/71/258246871.db2.gz LCTDBTJBAPJNJX-JQHSSLGASA-N 0 0 373.497 2.717 10 0 FFAERN Cn1nccc1[C@@H]1C[C@H](NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)CCO1 ZINC000333053800 258247028 /nfs/dbraw/zinc/24/70/28/258247028.db2.gz CBUHBFNWZJNXMK-ZMSPIWPASA-N 0 0 358.486 2.718 10 0 FFAERN CC(C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C(C)C)C1 ZINC000333055607 258247132 /nfs/dbraw/zinc/24/71/32/258247132.db2.gz CVHVKDXTLXHHOY-CABCVRRESA-N 0 0 354.520 2.634 10 0 FFAERN C[C@@H](Cc1ccccc1F)NC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333086845 258249135 /nfs/dbraw/zinc/24/91/35/258249135.db2.gz RUIKYWGWARAWFA-UAGQMJEPSA-N 0 0 361.461 2.847 10 0 FFAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)N[C@H]1CCOC2(CCCC2)C1 ZINC000333101463 258249914 /nfs/dbraw/zinc/24/99/14/258249914.db2.gz VIAAXLVPDYYFJS-IKGGRYGDSA-N 0 0 363.502 2.569 10 0 FFAERN O=S(=O)(NCc1ccc(O)c(Br)c1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333103870 258250110 /nfs/dbraw/zinc/25/01/10/258250110.db2.gz CRYJQYJITMCIFV-PUYPPJJSSA-N 0 0 360.273 2.763 10 0 FFAERN O=C(C[C@@H]1COCCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)c1cccs1 ZINC000333152034 258252829 /nfs/dbraw/zinc/25/28/29/258252829.db2.gz KRLWDXBSLZYRGI-OEUWWYETSA-N 0 0 369.508 2.540 10 0 FFAERN COc1cc2c(cc1OC)CN(S(=O)(=O)[C@H]1C[C@@H]3CC[C@H]1C3)CC2 ZINC000333176538 258254246 /nfs/dbraw/zinc/25/42/46/258254246.db2.gz OTQIBUXNQZVKDV-IAISJRAMSA-N 0 0 351.468 2.580 10 0 FFAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cc(C2CCCCC2)n[nH]1 ZINC000333179074 258254583 /nfs/dbraw/zinc/25/45/83/258254583.db2.gz RVEXYZKHMHKURE-CVEARBPZSA-N 0 0 358.486 2.978 10 0 FFAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000333187608 258255058 /nfs/dbraw/zinc/25/50/58/258255058.db2.gz RGGRXAIBHLKFFC-RYRKJORJSA-N 0 0 367.486 2.714 10 0 FFAERN O=C1Cc2cccc(-c3noc([C@H]4CCC[N@@H+]4C4CCOCC4)n3)c2N1 ZINC000333238001 258257612 /nfs/dbraw/zinc/25/76/12/258257612.db2.gz AMKDONFOEDWSCJ-OAHLLOKOSA-N 0 0 354.410 2.547 10 0 FFAERN CC1(C)Cc2ccc(C(=O)N3CC[C@H](Oc4ccncc4)C3)c(O)c2O1 ZINC000333243113 258257900 /nfs/dbraw/zinc/25/79/00/258257900.db2.gz ITXLLZILZMIEEF-HNNXBMFYSA-N 0 0 354.406 2.794 10 0 FFAERN Fc1cnc(N2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)nc1 ZINC000096065117 132218105 /nfs/dbraw/zinc/21/81/05/132218105.db2.gz LAHZGPFONKBLEL-PKOBYXMFSA-N 0 0 358.417 2.603 10 0 FFAERN CCCc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000073685761 132376995 /nfs/dbraw/zinc/37/69/95/132376995.db2.gz KSSIEQATMZWCQA-UHFFFAOYSA-N 0 0 374.872 2.956 10 0 FFAERN O=c1cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)n1C1CCCCC1 ZINC000002961200 132384403 /nfs/dbraw/zinc/38/44/03/132384403.db2.gz GBHRBTSHBGPAHW-UHFFFAOYSA-N 0 0 372.444 2.508 10 0 FFAERN Nc1c(N2CCCC2)ncnc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000040724227 136120009 /nfs/dbraw/zinc/12/00/09/136120009.db2.gz HVDKNSUHULOILA-UHFFFAOYSA-N 0 0 358.877 2.639 10 0 FFAERN Cc1ccc(CC(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3C)cc1 ZINC000065233216 136135556 /nfs/dbraw/zinc/13/55/56/136135556.db2.gz CCLKBUMIROCRIZ-UHFFFAOYSA-N 0 0 363.461 2.736 10 0 FFAERN Cc1cc(C)cc(NC(=S)c2c(N)[nH]c(N3CCC(C)CC3)nc2=O)c1 ZINC000072450498 136148337 /nfs/dbraw/zinc/14/83/37/136148337.db2.gz DEIYDXWISRDUAM-UHFFFAOYSA-N 0 0 371.510 2.993 10 0 FFAERN CCc1nn2c(nnc3c(=O)n(CC)cnc32)c1-c1ccc(Cl)cc1 ZINC000072450276 221534740 /nfs/dbraw/zinc/53/47/40/221534740.db2.gz DBKLXWXYVSARRL-UHFFFAOYSA-N 0 0 354.801 2.737 10 0 FFAERN CN1C(=O)c2cnc3c(c(-c4ccncc4)nn3-c3ccccc3F)c2C1=O ZINC000072470536 221544619 /nfs/dbraw/zinc/54/46/19/221544619.db2.gz UGAQAGZUBXJFDU-UHFFFAOYSA-N 0 0 373.347 2.847 10 0 FFAERN CC/C=C/CC(=O)N[C@H]1C[C@@H](C(=O)NCC)N(Cc2cc(C)cc(C)c2)C1 ZINC000096153144 222054929 /nfs/dbraw/zinc/05/49/29/222054929.db2.gz JYUDPLJWPKIYRI-RLFQVEEXSA-N 0 0 371.525 2.855 10 0 FFAERN O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000105931388 222379370 /nfs/dbraw/zinc/37/93/70/222379370.db2.gz AJNPHSPNKKPVFE-CQSZACIVSA-N 0 0 368.418 2.640 10 0 FFAERN O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000109502231 222464389 /nfs/dbraw/zinc/46/43/89/222464389.db2.gz COKZVECFJGSZNX-UHFFFAOYSA-N 0 0 374.400 2.816 10 0 FFAERN CCOC(=O)Cc1cc(N)c(C(F)(F)F)c(I)c1 ZINC000575724904 518253490 /nfs/dbraw/zinc/25/34/90/518253490.db2.gz MWWNNDTZZPENIG-UHFFFAOYSA-N 0 0 373.112 2.998 10 0 FFAERN COC(=O)[C@@]1(C)CCCN1C(=O)Cc1cc(F)ccc1Br ZINC000187665054 510376554 /nfs/dbraw/zinc/37/65/54/510376554.db2.gz MRCGIJMBGQYPAX-OAHLLOKOSA-N 0 0 358.207 2.685 10 0 FFAERN CCCOc1ccc([C@H](C)NC(=O)c2ccc(=O)n(C)n2)cc1OCCC ZINC000032504229 506260205 /nfs/dbraw/zinc/26/02/05/506260205.db2.gz XVRBVHXMQACUMF-AWEZNQCLSA-N 0 0 373.453 2.849 10 0 FFAERN O=C(NC1CCCC1)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000002952588 506303892 /nfs/dbraw/zinc/30/38/92/506303892.db2.gz LUQMYOZPIHIZMR-UHFFFAOYSA-N 0 0 369.465 2.555 10 0 FFAERN Cc1ccc2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2c1 ZINC000003592121 506344037 /nfs/dbraw/zinc/34/40/37/506344037.db2.gz DKAMXQIBIYMKNS-UHFFFAOYSA-N 0 0 350.403 2.953 10 0 FFAERN CC(C)NC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC(=O)O[C@@H]3CC[C@H]2[C@]1(C)CO ZINC000004259959 506368655 /nfs/dbraw/zinc/36/86/55/506368655.db2.gz SWQIGEGPZNGCHF-CLJXZBEYSA-N 0 0 353.459 2.630 10 0 FFAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000366840321 512211169 /nfs/dbraw/zinc/21/11/69/512211169.db2.gz YRUCLPIIMKIPCP-NQCWWPGTSA-N 0 0 370.559 2.791 10 0 FFAERN C[C@H](NC(=O)NCCCN1CCCC1=O)c1ccccc1Br ZINC000053492430 506392815 /nfs/dbraw/zinc/39/28/15/506392815.db2.gz IALISMJYEUFJLF-LBPRGKRZSA-N 0 0 368.275 2.822 10 0 FFAERN COc1cccc(-c2cc(C(=O)N[C@@H](C(=O)N3CCCC3)C(C)C)no2)c1 ZINC000036002633 506392766 /nfs/dbraw/zinc/39/27/66/506392766.db2.gz BMYSFOSVVKUVBE-GOSISDBHSA-N 0 0 371.437 2.727 10 0 FFAERN O=C(NCC1CC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000036254505 506399607 /nfs/dbraw/zinc/39/96/07/506399607.db2.gz JZBDKBHMQUPTOK-HXUWFJFHSA-N 0 0 369.509 2.529 10 0 FFAERN Cc1ccc(NC(=O)C2=CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000005107965 506422988 /nfs/dbraw/zinc/42/29/88/506422988.db2.gz WGHVNILZAARGTJ-UHFFFAOYSA-N 0 0 356.447 2.955 10 0 FFAERN Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2=O)c(C)c1 ZINC000037522829 506427839 /nfs/dbraw/zinc/42/78/39/506427839.db2.gz VNTNLKPRODTPCE-INIZCTEOSA-N 0 0 358.463 2.729 10 0 FFAERN O=C(CSc1nnnn1-c1ccccc1)NCc1cccc(Cl)c1 ZINC000005629491 506451292 /nfs/dbraw/zinc/45/12/92/506451292.db2.gz WZLZTQSEDVDDMB-UHFFFAOYSA-N 0 0 359.842 2.724 10 0 FFAERN COc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2F)c(OC)c1 ZINC000040098614 506466090 /nfs/dbraw/zinc/46/60/90/506466090.db2.gz HNMUECUVNBRJHS-OAHLLOKOSA-N 0 0 352.337 2.837 10 0 FFAERN CCC(C)(C)NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000007154270 506538950 /nfs/dbraw/zinc/53/89/50/506538950.db2.gz ABCMHRGDENCXGH-UHFFFAOYSA-N 0 0 371.466 2.918 10 0 FFAERN 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CC[C@@H](OC1CCCC1)C(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000112911573 508232084 /nfs/dbraw/zinc/23/20/84/508232084.db2.gz QKMDZRHAUDXSLJ-QGZVFWFLSA-N 0 0 351.516 2.834 10 0 FFAERN Cn1cccc1[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000083055137 508234820 /nfs/dbraw/zinc/23/48/20/508234820.db2.gz GAFXOBDWEVFHBR-INIZCTEOSA-N 0 0 352.394 2.668 10 0 FFAERN C[C@H](c1nc(-c2cccnc2)no1)N1CCC(N(C)c2cccnn2)CC1 ZINC000112981099 508236894 /nfs/dbraw/zinc/23/68/94/508236894.db2.gz ZDMRJXUUEJXIHC-CQSZACIVSA-N 0 0 365.441 2.583 10 0 FFAERN COc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000076698675 508243137 /nfs/dbraw/zinc/24/31/37/508243137.db2.gz HCFCLPMUBMEOSM-PKOBYXMFSA-N 0 0 368.433 2.748 10 0 FFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000083562403 508248346 /nfs/dbraw/zinc/24/83/46/508248346.db2.gz BNQKMTRUNLSYJK-OAHLLOKOSA-N 0 0 354.414 2.518 10 0 FFAERN CN(CCCc1cc(-c2ccccc2)no1)C(=O)NCc1ccnn1C ZINC000101606531 508249980 /nfs/dbraw/zinc/24/99/80/508249980.db2.gz 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ZINC000129510569 508734982 /nfs/dbraw/zinc/73/49/82/508734982.db2.gz UTGSYHOSTIEYOP-HZPDHXFCSA-N 0 0 360.479 2.861 10 0 FFAERN Cc1cnn(C[C@@H]2CN(C(=O)CCc3cn(C)c4ccccc34)CCO2)c1 ZINC000154256751 508747407 /nfs/dbraw/zinc/74/74/07/508747407.db2.gz VRECZGOAKWDBNK-SFHVURJKSA-N 0 0 366.465 2.543 10 0 FFAERN C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(F)ccc32)C[C@H]1N1CCOCC1 ZINC000119211242 508749211 /nfs/dbraw/zinc/74/92/11/508749211.db2.gz UQPLGITZRLTEER-NIKGAXFTSA-N 0 0 361.461 2.565 10 0 FFAERN Cn1cc(N2CCC[C@H](NC(=O)/C=C/c3cccc4cccnc34)C2)cn1 ZINC000154269605 508749379 /nfs/dbraw/zinc/74/93/79/508749379.db2.gz BHZMFJPCBBWZLV-BBVFFXRHSA-N 0 0 361.449 2.767 10 0 FFAERN CCOC(=O)c1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000137300342 508750865 /nfs/dbraw/zinc/75/08/65/508750865.db2.gz CWKDJNABMJGJEI-PXNSSMCTSA-N 0 0 360.454 2.700 10 0 FFAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000123872601 508751454 /nfs/dbraw/zinc/75/14/54/508751454.db2.gz VGNDCJCHPCTRTD-NSHDSACASA-N 0 0 363.311 2.509 10 0 FFAERN CC(C)[C@@H](O)CC(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000158790060 508753127 /nfs/dbraw/zinc/75/31/27/508753127.db2.gz AYKQMZNBODUNBI-KRWDZBQOSA-N 0 0 356.426 2.749 10 0 FFAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000137425516 508755260 /nfs/dbraw/zinc/75/52/60/508755260.db2.gz RANUXSOXUGVJPX-UKRRQHHQSA-N 0 0 373.840 2.710 10 0 FFAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000154309794 508757458 /nfs/dbraw/zinc/75/74/58/508757458.db2.gz CAVKLENTOPDWQT-HZSPNIEDSA-N 0 0 352.431 2.607 10 0 FFAERN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)N1CCC(Cn2cccn2)CC1 ZINC000123930467 508759109 /nfs/dbraw/zinc/75/91/09/508759109.db2.gz QLSMGMVKSCHHFQ-KURKYZTESA-N 0 0 358.486 2.652 10 0 FFAERN O=C(CCc1nc(-c2ccoc2)no1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000154328059 508761475 /nfs/dbraw/zinc/76/14/75/508761475.db2.gz IWPYLKNEHLPIGM-GJZGRUSLSA-N 0 0 371.393 2.970 10 0 FFAERN COCCc1noc(CN(C)C(=O)N[C@@H]2CCCc3cc(F)ccc32)n1 ZINC000119327557 508774059 /nfs/dbraw/zinc/77/40/59/508774059.db2.gz OVJCATNSWVRVRA-OAHLLOKOSA-N 0 0 362.405 2.617 10 0 FFAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)/C=C/c1ccc(Cl)nc1 ZINC000119332567 508774782 /nfs/dbraw/zinc/77/47/82/508774782.db2.gz PHNKVSTWNOMYGO-SYJIQKIWSA-N 0 0 360.841 2.784 10 0 FFAERN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccn(CC(F)(F)F)n1 ZINC000124068968 508779132 /nfs/dbraw/zinc/77/91/32/508779132.db2.gz GESFWHUQDJLZBL-LLVKDONJSA-N 0 0 370.356 2.887 10 0 FFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cc(F)ccc1Br ZINC000119365886 508781519 /nfs/dbraw/zinc/78/15/19/508781519.db2.gz OQPHHVZLOJLXNT-CYBMUJFWSA-N 0 0 367.222 2.682 10 0 FFAERN C[C@H](CCc1ccc(O)cc1)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000159021521 508781745 /nfs/dbraw/zinc/78/17/45/508781745.db2.gz PJBTWGANUDEZJK-KGLIPLIRSA-N 0 0 357.458 2.702 10 0 FFAERN C[C@H](CCc1ccc(O)cc1)NC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000159021793 508781923 /nfs/dbraw/zinc/78/19/23/508781923.db2.gz PJBTWGANUDEZJK-ZIAGYGMSSA-N 0 0 357.458 2.702 10 0 FFAERN CCc1nnc([C@@H]2CN(C(=O)Nc3cccc4cccnc43)CCO2)[nH]1 ZINC000130030130 508788907 /nfs/dbraw/zinc/78/89/07/508788907.db2.gz RQKJPZHOQBXQNF-AWEZNQCLSA-N 0 0 352.398 2.521 10 0 FFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000154458562 508789022 /nfs/dbraw/zinc/78/90/22/508789022.db2.gz HTDAECAAJHLLEY-SMDDNHRTSA-N 0 0 363.849 2.973 10 0 FFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc2cccnc21 ZINC000154508587 508798727 /nfs/dbraw/zinc/79/87/27/508798727.db2.gz YGQHMMZYQJXQAE-HNNXBMFYSA-N 0 0 350.426 2.723 10 0 FFAERN O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119479413 508803813 /nfs/dbraw/zinc/80/38/13/508803813.db2.gz HBRQXDFRRMDQSY-UHFFFAOYSA-N 0 0 366.343 2.773 10 0 FFAERN Cc1ccccc1Nc1nc(N)nc(CN2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000140496266 508805587 /nfs/dbraw/zinc/80/55/87/508805587.db2.gz VBGYSCVVNXTVLC-FOIQADDNSA-N 0 0 368.485 2.633 10 0 FFAERN CCNC(=O)Nc1cc(N2C[C@H](C)O[C@@H](C)C2)c(Br)cn1 ZINC000141236333 508813600 /nfs/dbraw/zinc/81/36/00/508813600.db2.gz 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ZINC000119625153 508831343 /nfs/dbraw/zinc/83/13/43/508831343.db2.gz NTDOODXYSTUVSG-UHFFFAOYSA-N 0 0 364.808 2.553 10 0 FFAERN CCCNC(=O)c1cccc(C(=O)N[C@@H](CC(=O)OC)c2ccccc2)c1 ZINC000124439379 508831983 /nfs/dbraw/zinc/83/19/83/508831983.db2.gz NWLKPWXTOZJOGU-SFHVURJKSA-N 0 0 368.433 2.861 10 0 FFAERN COc1ccccc1NC(=O)c1nc(-c2ccc3n[nH]cc3c2)cnc1N ZINC000143788728 508834115 /nfs/dbraw/zinc/83/41/15/508834115.db2.gz AFIGPSKJHRVPAY-UHFFFAOYSA-N 0 0 360.377 2.863 10 0 FFAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000130762556 508842872 /nfs/dbraw/zinc/84/28/72/508842872.db2.gz DJSDJYJTRJRCFU-ZIAGYGMSSA-N 0 0 364.401 2.737 10 0 FFAERN COC(=O)C1CCN(C(=O)c2ccc3cc(OC(C)=O)ccc3c2)CC1 ZINC000145996130 508847715 /nfs/dbraw/zinc/84/77/15/508847715.db2.gz CUXLFBHBXXZYJJ-UHFFFAOYSA-N 0 0 355.390 2.790 10 0 FFAERN COc1ccc(NC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)c(C)n1 ZINC000124540123 508848699 /nfs/dbraw/zinc/84/86/99/508848699.db2.gz BWCXAULEKMYQFQ-OAHLLOKOSA-N 0 0 358.446 2.551 10 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JWXUUISBDVDXHJ-UHFFFAOYSA-N 0 0 364.442 2.686 10 0 FFAERN CCO[C@H]1C[C@H](N(C)C(=O)Nc2cnn(CCOC)c2)C12CCCC2 ZINC000124686401 508869178 /nfs/dbraw/zinc/86/91/78/508869178.db2.gz DKIJHVFCNGVLNS-HOTGVXAUSA-N 0 0 350.463 2.731 10 0 FFAERN Cc1cc(NC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)ccn1 ZINC000119830444 508872005 /nfs/dbraw/zinc/87/20/05/508872005.db2.gz MDOLZXICYILDQV-MRXNPFEDSA-N 0 0 360.483 2.989 10 0 FFAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000130991027 508874180 /nfs/dbraw/zinc/87/41/80/508874180.db2.gz YSMSIJZCYCQTKC-TXEJJXNPSA-N 0 0 364.243 2.884 10 0 FFAERN Cn1ccnc1CC1CCN(C(=O)c2cnc([C@H]3CCCO3)s2)CC1 ZINC000131039499 508880353 /nfs/dbraw/zinc/88/03/53/508880353.db2.gz KAMUUFDGZBZTCC-CQSZACIVSA-N 0 0 360.483 2.823 10 0 FFAERN CCn1c(C)nnc1CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000154917688 508882466 /nfs/dbraw/zinc/88/24/66/508882466.db2.gz NKVFOZUOVFULSV-CYBMUJFWSA-N 0 0 362.865 2.506 10 0 FFAERN COc1ncc(NC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cc1C(N)=O ZINC000119898723 508886108 /nfs/dbraw/zinc/88/61/08/508886108.db2.gz ZLFMBMXLGBNARC-MRVPVSSYSA-N 0 0 366.780 2.864 10 0 FFAERN Cc1cc(N[C@@H](C)c2nnc3n2CCCC3)n2nc(C(F)(F)F)nc2n1 ZINC000131101050 508886673 /nfs/dbraw/zinc/88/66/73/508886673.db2.gz GXYRHLVZCUTPKJ-VIFPVBQESA-N 0 0 366.351 2.552 10 0 FFAERN Cc1nccn1C[C@@H]1CCCN1[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000131108999 508887674 /nfs/dbraw/zinc/88/76/74/508887674.db2.gz IDDLXKQWCBXDQV-WMLDXEAASA-N 0 0 360.408 2.740 10 0 FFAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)Cc2csc(C)n2)C1 ZINC000154942584 508888286 /nfs/dbraw/zinc/88/82/86/508888286.db2.gz KECVXJCDNPKAGJ-HZPDHXFCSA-N 0 0 358.463 2.799 10 0 FFAERN CCO[C@@H]1C[C@@H](N(C)C(=O)C2CCN(c3cnccn3)CC2)C12CCCC2 ZINC000150791960 508894215 /nfs/dbraw/zinc/89/42/15/508894215.db2.gz CUHSDIXRXNYGCT-QZTJIDSGSA-N 0 0 372.513 2.889 10 0 FFAERN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C1CC2(C1)NC(=O)NC2=O ZINC000154972514 508894847 /nfs/dbraw/zinc/89/48/47/508894847.db2.gz YJAVGWLUEVRYTJ-PAEJTOOSSA-N 0 0 370.236 2.501 10 0 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/nfs/dbraw/zinc/62/60/77/510626077.db2.gz ZIFWOLOMOPSKPX-OAHLLOKOSA-N 0 0 364.396 2.657 10 0 FFAERN COc1cccc([C@@H](C)CC(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)c1 ZINC000175398926 510627136 /nfs/dbraw/zinc/62/71/36/510627136.db2.gz JNBXPPKUQIBWNT-LSDHHAIUSA-N 0 0 372.469 2.786 10 0 FFAERN Cc1ccc(C(=O)N2CCCN(C)C(=O)C2)cc1NC(=O)c1ccccc1 ZINC000188166050 510628446 /nfs/dbraw/zinc/62/84/46/510628446.db2.gz PGVGJASNYSBCPS-UHFFFAOYSA-N 0 0 365.433 2.552 10 0 FFAERN COc1ccnc(NC2CCN(C(=O)c3cc4ccc(C)cc4[nH]3)CC2)n1 ZINC000191385805 510632396 /nfs/dbraw/zinc/63/23/96/510632396.db2.gz WGXKOWBRFBCHDS-UHFFFAOYSA-N 0 0 365.437 2.992 10 0 FFAERN CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)[C@@H]1CCCN(c2cccnn2)C1 ZINC000246722671 510636521 /nfs/dbraw/zinc/63/65/21/510636521.db2.gz DFIDZYWXETVXDI-VNQPRFMTSA-N 0 0 372.419 2.986 10 0 FFAERN O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000191405266 510644759 /nfs/dbraw/zinc/64/47/59/510644759.db2.gz CUQXFMXPEWWWLC-QRVBRYPASA-N 0 0 350.418 2.976 10 0 FFAERN C[C@H](O)CN1CCN(C(=O)c2ccccc2COc2ccccc2)C[C@H]1C ZINC000246738197 510645436 /nfs/dbraw/zinc/64/54/36/510645436.db2.gz MSBRPYJQZXPNLM-MSOLQXFVSA-N 0 0 368.477 2.793 10 0 FFAERN COc1ccnc(N2CCC(C(=O)Nc3cccc(N(C)C)c3C)CC2)n1 ZINC000181901933 510649999 /nfs/dbraw/zinc/64/99/99/510649999.db2.gz UKBGVPQMQYDFCX-UHFFFAOYSA-N 0 0 369.469 2.715 10 0 FFAERN C/C(=C\C(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1OC(F)F ZINC000175444519 510649992 /nfs/dbraw/zinc/64/99/92/510649992.db2.gz FRKMUTAXTUWUOH-OKFGHLOFSA-N 0 0 366.408 2.624 10 0 FFAERN CC[C@@H]1CN(C(=O)C[C@H](C)Cc2ccccc2OC)CC[N@@H+]1C[C@H](C)O ZINC000246749627 510651774 /nfs/dbraw/zinc/65/17/74/510651774.db2.gz GSSUNFVMBBQPSM-ZIFCJYIRSA-N 0 0 362.514 2.568 10 0 FFAERN CCOCCN1CCN(C(=O)c2cc(-c3ccc(C)o3)n[nH]2)C[C@H]1CC ZINC000172297476 510652046 /nfs/dbraw/zinc/65/20/46/510652046.db2.gz CUYFYZRIZGKDHR-OAHLLOKOSA-N 0 0 360.458 2.551 10 0 FFAERN O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)C1(c2ccc(F)cc2)CCOCC1 ZINC000178546584 510656145 /nfs/dbraw/zinc/65/61/45/510656145.db2.gz RSPUBLCRRWJKQB-MOPGFXCFSA-N 0 0 355.409 2.648 10 0 FFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3oc4c(c3C)C(=O)CCC4)C2)n1 ZINC000172303904 510657030 /nfs/dbraw/zinc/65/70/30/510657030.db2.gz NQJOJDYNNHGXQG-HNNXBMFYSA-N 0 0 370.453 2.868 10 0 FFAERN COc1ccc(C(=O)CCCC(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000178555827 510659552 /nfs/dbraw/zinc/65/95/52/510659552.db2.gz YMUNEJQWJRJKLE-GHTZIAJQSA-N 0 0 353.418 2.823 10 0 FFAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCSC[C@H]2S(C)(=O)=O)cc1 ZINC000246762195 510659668 /nfs/dbraw/zinc/65/96/68/510659668.db2.gz BVVJAFNFIJNIQE-GVDBMIGSSA-N 0 0 367.536 2.860 10 0 FFAERN CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000246767439 510661924 /nfs/dbraw/zinc/66/19/24/510661924.db2.gz YLCXGXLYFIUAHP-HZSPNIEDSA-N 0 0 351.520 2.519 10 0 FFAERN C[C@H]1c2ccccc2CCN1C(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000175486018 510662194 /nfs/dbraw/zinc/66/21/94/510662194.db2.gz SHDXIMRAKWMNNJ-JEYLPNPQSA-N 0 0 350.484 2.671 10 0 FFAERN Cc1noc([C@H]2COCCN2Cc2cccc(C(=O)N3CCCCC3)c2)n1 ZINC000185065587 510663361 /nfs/dbraw/zinc/66/33/61/510663361.db2.gz YPYPTCGXGBJIDM-GOSISDBHSA-N 0 0 370.453 2.578 10 0 FFAERN CC/C(=C\C(=O)N[C@H]1CCc2nc(CC)nn2C1)c1ccc(OC)cc1 ZINC000178560121 510663329 /nfs/dbraw/zinc/66/33/29/510663329.db2.gz YDOIOILXAUCYHM-GRNBYLDVSA-N 0 0 354.454 2.774 10 0 FFAERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(Cc2cn(C(C)(C)C)nn2)C1 ZINC000191446452 510664376 /nfs/dbraw/zinc/66/43/76/510664376.db2.gz OBYNIUVHSOBZKX-IRXDYDNUSA-N 0 0 356.470 2.812 10 0 FFAERN Cc1ccc2c(c1)[C@H](NC(=O)N1CCN(c3cnccn3)CC1)[C@H](C)C2 ZINC000181926215 510665084 /nfs/dbraw/zinc/66/50/84/510665084.db2.gz CACABBJHTZPPGA-DNVCBOLYSA-N 0 0 351.454 2.550 10 0 FFAERN CC(C)n1cc(C(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)cn1 ZINC000188240686 510665652 /nfs/dbraw/zinc/66/56/52/510665652.db2.gz BGTGVNSAUWPJEB-MRXNPFEDSA-N 0 0 362.499 2.671 10 0 FFAERN Cn1c(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nnc1C1CC1 ZINC000195090869 510666024 /nfs/dbraw/zinc/66/60/24/510666024.db2.gz QCLYXJOJMSSMLK-UHFFFAOYSA-N 0 0 374.876 2.592 10 0 FFAERN O=C(Cc1cnc2ccccc2c1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000172321584 510667542 /nfs/dbraw/zinc/66/75/42/510667542.db2.gz ZVVOWYGMPZSZHX-GOSISDBHSA-N 0 0 366.442 2.812 10 0 FFAERN COCCN1CCN(C(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)C[C@H]1C ZINC000172323516 510668108 /nfs/dbraw/zinc/66/81/08/510668108.db2.gz XPEWHVPARKPNAW-DNVCBOLYSA-N 0 0 361.486 2.508 10 0 FFAERN C[C@@H](CNC(=O)N[C@@H](C)c1nnc2n1CCCC2)COCc1ccccc1 ZINC000178576525 510670865 /nfs/dbraw/zinc/67/08/65/510670865.db2.gz XMPWDFREXSHZIJ-HOTGVXAUSA-N 0 0 371.485 2.828 10 0 FFAERN Cc1noc([C@H]2COCCN2CC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000185078372 510672450 /nfs/dbraw/zinc/67/24/50/510672450.db2.gz FNPCDBNPRFOYBL-CYBMUJFWSA-N 0 0 371.224 2.697 10 0 FFAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ncncc2Cl)C1 ZINC000178583392 510672937 /nfs/dbraw/zinc/67/29/37/510672937.db2.gz TVQYBFAGLVIYFK-UONOGXRCSA-N 0 0 359.813 2.549 10 0 FFAERN CCS[C@H](C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1)C(C)C ZINC000172331158 510673817 /nfs/dbraw/zinc/67/38/17/510673817.db2.gz KWPVIWBBSBQGIJ-INIZCTEOSA-N 0 0 366.531 2.759 10 0 FFAERN COC1(CNC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CCCCC1 ZINC000188263713 510675374 /nfs/dbraw/zinc/67/53/74/510675374.db2.gz MNDWUGOFUUKUET-HNNXBMFYSA-N 0 0 366.483 2.554 10 0 FFAERN CSC1(CNC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)CC1 ZINC000195136751 510683332 /nfs/dbraw/zinc/68/33/32/510683332.db2.gz WOLOSZAVCOULAO-AWEZNQCLSA-N 0 0 369.556 2.658 10 0 FFAERN Cc1cc(C)cc(OCc2noc(CN3CCC[C@H](n4cncn4)C3)n2)c1 ZINC000178613686 510687929 /nfs/dbraw/zinc/68/79/29/510687929.db2.gz CPAZVOMBTMLRJG-INIZCTEOSA-N 0 0 368.441 2.694 10 0 FFAERN O=C(N1CCCN(c2cccnn2)CC1)C1(Cc2ccccc2F)CC1 ZINC000188286318 510691295 /nfs/dbraw/zinc/69/12/95/510691295.db2.gz ZABQGKMJFSQPEG-UHFFFAOYSA-N 0 0 354.429 2.677 10 0 FFAERN CCn1c(CCNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)nc2ccccc21 ZINC000178625828 510694787 /nfs/dbraw/zinc/69/47/87/510694787.db2.gz DVNFMPPKYDUONO-KKSFZXQISA-N 0 0 370.497 2.935 10 0 FFAERN COCC[C@H](C)NC(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000178630772 510696251 /nfs/dbraw/zinc/69/62/51/510696251.db2.gz OBFSTZVSSDFYSC-INIZCTEOSA-N 0 0 372.469 2.594 10 0 FFAERN CC(C)COc1ccc([C@H](C)NC(=O)c2cn(CC3(C)COC3)nn2)cc1 ZINC000185119532 510696556 /nfs/dbraw/zinc/69/65/56/510696556.db2.gz PFKZDOHYYOLSNO-HNNXBMFYSA-N 0 0 372.469 2.840 10 0 FFAERN C[C@H](NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000175621746 510696975 /nfs/dbraw/zinc/69/69/75/510696975.db2.gz OQKAXHZCKQZASK-ZQIUZPCESA-N 0 0 351.878 2.763 10 0 FFAERN COC(=O)C1(CNC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)CCOCC1 ZINC000181997201 510698454 /nfs/dbraw/zinc/69/84/54/510698454.db2.gz HMECUIGFXDVTLN-ROUUACIJSA-N 0 0 359.466 3.000 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000172380114 510699505 /nfs/dbraw/zinc/69/95/05/510699505.db2.gz MHPCJWHNMFLJBL-OAHLLOKOSA-N 0 0 360.845 2.901 10 0 FFAERN CC(C)CCO[C@@H]1CCN(C(=O)NCC[C@@H]2c3ccccc3NC2=O)C1 ZINC000175629919 510702339 /nfs/dbraw/zinc/70/23/39/510702339.db2.gz VSRNDCQEAZZIJK-NVXWUHKLSA-N 0 0 359.470 2.959 10 0 FFAERN Cc1cccnc1CNC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000178663471 510708683 /nfs/dbraw/zinc/70/86/83/510708683.db2.gz AVSLENCOQMTPJQ-WBVHZDCISA-N 0 0 374.510 2.713 10 0 FFAERN COC(=O)C1CCC(C(=O)NC[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC000185140721 510709789 /nfs/dbraw/zinc/70/97/89/510709789.db2.gz BEXDAZHKLWZYSV-PWGQDJSOSA-N 0 0 353.846 2.643 10 0 FFAERN C[C@H]1CN(C(=O)NCC2(c3ccccc3)CCCC2)C[C@@H]1N1CCOCC1 ZINC000175644880 510710299 /nfs/dbraw/zinc/71/02/99/510710299.db2.gz QVPPALVNTOENBK-ICSRJNTNSA-N 0 0 371.525 2.861 10 0 FFAERN CCc1nccn1[C@H]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2F)C1 ZINC000172407614 510712275 /nfs/dbraw/zinc/71/22/75/510712275.db2.gz MQMMPBNQABSFNC-ZDUSSCGKSA-N 0 0 359.405 2.553 10 0 FFAERN CC1(C)CCN(Cc2cccn2Cc2cccs2)CCS1(=O)=O ZINC000195204602 510715288 /nfs/dbraw/zinc/71/52/88/510715288.db2.gz MFLWCADYJHSJSN-UHFFFAOYSA-N 0 0 352.525 2.997 10 0 FFAERN O=C(C[C@H]1CSCCS1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000178685082 510720061 /nfs/dbraw/zinc/72/00/61/510720061.db2.gz NZSBFFYXQQTOEZ-ZDUSSCGKSA-N 0 0 363.508 2.715 10 0 FFAERN CCCOc1c(Cl)cc(C(=O)N[C@@H](C(=O)NC)C(C)C)cc1OC ZINC000178687292 510721988 /nfs/dbraw/zinc/72/19/88/510721988.db2.gz UTIDXTFJMKTHBV-CQSZACIVSA-N 0 0 356.850 2.638 10 0 FFAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000188349477 510723793 /nfs/dbraw/zinc/72/37/93/510723793.db2.gz LXDBQZURZLBFCI-STQMWFEESA-N 0 0 368.861 2.855 10 0 FFAERN CNC(=O)[C@H](NC(=O)c1cc(Br)cc(OC(C)C)c1)C(C)C ZINC000178695351 510724927 /nfs/dbraw/zinc/72/49/27/510724927.db2.gz HLDUOUHOKZPARS-CQSZACIVSA-N 0 0 371.275 2.737 10 0 FFAERN Cc1cccc(N2CCC(NC(=O)NC[C@@]3(C)CCCC[C@H]3O)CC2)n1 ZINC000178703833 510730694 /nfs/dbraw/zinc/73/06/94/510730694.db2.gz NTQJPPMRGGTFTC-YLJYHZDGSA-N 0 0 360.502 2.599 10 0 FFAERN C[C@H](CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)Oc1ccccc1F ZINC000246893681 510730777 /nfs/dbraw/zinc/73/07/77/510730777.db2.gz DXWWULWNAPDRNK-ZRGWGRIASA-N 0 0 350.434 2.930 10 0 FFAERN C[C@@H](NC(=O)NC[C@H](C)Cn1cccn1)c1cccc(-n2ccnc2)c1 ZINC000175683056 510732875 /nfs/dbraw/zinc/73/28/75/510732875.db2.gz DXROOCPTIGBCMD-JKSUJKDBSA-N 0 0 352.442 2.765 10 0 FFAERN C[C@@H]1CN(C(=O)NCCc2ccc3ccccc3c2)C[C@@H]1N1CCOCC1 ZINC000175689053 510735869 /nfs/dbraw/zinc/73/58/69/510735869.db2.gz VIGBXHAUVBGRIZ-UTKZUKDTSA-N 0 0 367.493 2.744 10 0 FFAERN CNC(=O)[C@H](NC(=O)c1sc2cccc(F)c2c1COC)C(C)C ZINC000178729343 510741289 /nfs/dbraw/zinc/74/12/89/510741289.db2.gz TYBXEDBWMYQANS-CQSZACIVSA-N 0 0 352.431 2.687 10 0 FFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cnc3c(C)cccc3c2O)C1 ZINC000191593995 510742193 /nfs/dbraw/zinc/74/21/93/510742193.db2.gz TVDDCIHPAYIGSA-SWLSCSKDSA-N 0 0 368.393 2.542 10 0 FFAERN COCc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000195260850 510742932 /nfs/dbraw/zinc/74/29/32/510742932.db2.gz HAYNERVNYSZQGC-SFHVURJKSA-N 0 0 353.422 2.861 10 0 FFAERN CCOc1ccc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cc1OC ZINC000195258755 510743285 /nfs/dbraw/zinc/74/32/85/510743285.db2.gz FJAMNXUURDTWBD-CQSZACIVSA-N 0 0 358.442 2.554 10 0 FFAERN Cc1nc(-c2cccc(NC(=O)N[C@H]3Cc4ccccc4[C@@H]3O)c2)no1 ZINC000172475938 510746579 /nfs/dbraw/zinc/74/65/79/510746579.db2.gz KJKDKQDIBCTKJU-IRXDYDNUSA-N 0 0 350.378 2.825 10 0 FFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182085370 510747834 /nfs/dbraw/zinc/74/78/34/510747834.db2.gz SJSNFIIZYKMSGT-XBFCOCLRSA-N 0 0 373.375 2.782 10 0 FFAERN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246925358 510750793 /nfs/dbraw/zinc/75/07/93/510750793.db2.gz WIQFDCAMTWCRFD-WBAXXEDZSA-N 0 0 362.445 2.608 10 0 FFAERN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000195272858 510750945 /nfs/dbraw/zinc/75/09/45/510750945.db2.gz BGYZUVWAYWOYON-GOSISDBHSA-N 0 0 365.433 2.784 10 0 FFAERN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N[C@H]1COc2ccccc21 ZINC000195272872 510751099 /nfs/dbraw/zinc/75/10/99/510751099.db2.gz BGYZUVWAYWOYON-SFHVURJKSA-N 0 0 365.433 2.784 10 0 FFAERN CCn1nccc1/C=C\C(=O)N[C@@H](c1nccn1C)c1ccc(OC)cc1 ZINC000178752111 510754502 /nfs/dbraw/zinc/75/45/02/510754502.db2.gz ZNGSOGXJMDKBTH-JNLAIUADSA-N 0 0 365.437 2.564 10 0 FFAERN Cc1noc([C@H]2CCCN(C(=O)CCc3nc4c(cccc4C)[nH]3)C2)n1 ZINC000175726908 510755057 /nfs/dbraw/zinc/75/50/57/510755057.db2.gz SXRXBYXZLFHXLJ-AWEZNQCLSA-N 0 0 353.426 2.902 10 0 FFAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cc(-c3ccccc3)no1)CC2 ZINC000195278542 510755465 /nfs/dbraw/zinc/75/54/65/510755465.db2.gz BUMSJWLAGLPCBC-CQSZACIVSA-N 0 0 351.410 2.801 10 0 FFAERN Cc1cccc(C(C)(C)CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000175728073 510757395 /nfs/dbraw/zinc/75/73/95/510757395.db2.gz DDXFOMCKCDYAII-IEBWSBKVSA-N 0 0 359.514 2.635 10 0 FFAERN Cc1cccc(C(C)(C)CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000175728109 510757998 /nfs/dbraw/zinc/75/79/98/510757998.db2.gz DDXFOMCKCDYAII-MJGOQNOKSA-N 0 0 359.514 2.635 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1csc(-c3ccccn3)n1)CC2 ZINC000195286480 510762241 /nfs/dbraw/zinc/76/22/41/510762241.db2.gz OZZPGFFDOWGUSV-LBPRGKRZSA-N 0 0 368.466 2.665 10 0 FFAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCN4CCCC[C@H]4C3)cc2)co1 ZINC000246949625 510763521 /nfs/dbraw/zinc/76/35/21/510763521.db2.gz CTLIGTKLXGQUSM-INIZCTEOSA-N 0 0 361.467 2.509 10 0 FFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](COCC(C)C)c1ccco1 ZINC000175740888 510763976 /nfs/dbraw/zinc/76/39/76/510763976.db2.gz ZHGGNVPAORQMAO-CABCVRRESA-N 0 0 361.446 2.728 10 0 FFAERN C[C@@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)c1ccc2c(c1)OCCO2 ZINC000172519579 510765847 /nfs/dbraw/zinc/76/58/47/510765847.db2.gz FRHICCKHXDYPMD-CYBMUJFWSA-N 0 0 356.426 2.831 10 0 FFAERN C[C@@H](NC(=O)N1CCC(Cn2cccn2)CC1)c1nc2ccccc2[nH]1 ZINC000172522802 510769776 /nfs/dbraw/zinc/76/97/76/510769776.db2.gz HKZUTONCQBOAFD-CQSZACIVSA-N 0 0 352.442 2.942 10 0 FFAERN C[C@H]1CN(C(=O)NCCCCCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000175753372 510770789 /nfs/dbraw/zinc/77/07/89/510770789.db2.gz SRSOKQFTEIPSAN-ICSRJNTNSA-N 0 0 359.514 2.762 10 0 FFAERN 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CC(C)c1nnc([C@H]2COCCN2C(=O)c2noc3c2CCCCC3)o1 ZINC000275573708 256026016 /nfs/dbraw/zinc/02/60/16/256026016.db2.gz YBFJWGNVKVNJFU-CYBMUJFWSA-N 0 0 360.414 2.664 10 0 FFAERN COc1nc(Cl)nc(Nc2cccc(I)c2)n1 ZINC000061514562 221132997 /nfs/dbraw/zinc/13/29/97/221132997.db2.gz BJUASERPZITEFQ-UHFFFAOYSA-N 0 0 362.558 2.882 10 0 FFAERN Cn1cc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c([C@@H]2CCOC2)n1 ZINC000276236485 256083169 /nfs/dbraw/zinc/08/31/69/256083169.db2.gz KIZYFGJZXMBHDL-CHWSQXEVSA-N 0 0 351.406 2.645 10 0 FFAERN NC(=S)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000061886943 221135730 /nfs/dbraw/zinc/13/57/30/221135730.db2.gz MTBONRXGPGCYKX-PHDIDXHHSA-N 0 0 359.325 2.788 10 0 FFAERN CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C1CC1 ZINC000065021179 221163851 /nfs/dbraw/zinc/16/38/51/221163851.db2.gz UNHZBGHGPMIZPI-GFCCVEGCSA-N 0 0 350.484 2.798 10 0 FFAERN Cn1c2cc3c(cc2oc1=O)NC(=O)C[C@H]3c1nc(-c2ccccc2)no1 ZINC000065382917 221207943 /nfs/dbraw/zinc/20/79/43/221207943.db2.gz 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ZINC000067967736 221310487 /nfs/dbraw/zinc/31/04/87/221310487.db2.gz WODWBFUUKMGZSB-UHFFFAOYSA-N 0 0 350.737 2.699 10 0 FFAERN Cc1noc([C@@H]2CN(C(=O)c3cc(Cl)sc3Cl)CCN2C)n1 ZINC000284548905 256935713 /nfs/dbraw/zinc/93/57/13/256935713.db2.gz GORYLPFGCXZPFY-VIFPVBQESA-N 0 0 361.254 2.875 10 0 FFAERN C[C@H]1OCCN(C(=O)c2noc3c2CCCCC3)[C@@H]1c1nc(C2CC2)no1 ZINC000285561878 256992523 /nfs/dbraw/zinc/99/25/23/256992523.db2.gz YZJWWTUXVYUXHC-BZNIZROVSA-N 0 0 372.425 2.806 10 0 FFAERN O=C(NC1CCC(C(=O)N2CCSCC2)CC1)N1CCc2ccccc21 ZINC000072078885 221402749 /nfs/dbraw/zinc/40/27/49/221402749.db2.gz YXOLUOMSRATLPW-UHFFFAOYSA-N 0 0 373.522 2.893 10 0 FFAERN COC(=O)c1sc(NCC(=O)N2CCc3sccc3C2)nc1Cl ZINC000301163561 258030581 /nfs/dbraw/zinc/03/05/81/258030581.db2.gz HZYWVMCNNZWHLP-UHFFFAOYSA-N 0 0 371.871 2.641 10 0 FFAERN CCOC(=O)c1cnc2ccccc2c1NC[C@@H]1CN(C2CC2)CCO1 ZINC000301201892 258033260 /nfs/dbraw/zinc/03/32/60/258033260.db2.gz MZPGINYCEVNFKH-OAHLLOKOSA-N 0 0 355.438 2.687 10 0 FFAERN C[C@@H]1CCCN(c2cc(NCCCNC(=O)c3ccccc3)ncn2)C1 ZINC000301238499 258036092 /nfs/dbraw/zinc/03/60/92/258036092.db2.gz LKYBGLHXYDPQCI-MRXNPFEDSA-N 0 0 353.470 2.945 10 0 FFAERN COc1cc(OC)cc([C@H](O)CNc2cc(N3CCC[C@H](C)C3)ncn2)c1 ZINC000301262807 258038146 /nfs/dbraw/zinc/03/81/46/258038146.db2.gz DJIXYWMMQGYSTM-KBXCAEBGSA-N 0 0 372.469 2.876 10 0 FFAERN CCOC(=O)c1cnc2c(c(C)nn2C)c1NC[C@@H](O)c1ccc(F)cc1 ZINC000302034351 258083790 /nfs/dbraw/zinc/08/37/90/258083790.db2.gz OPHFTMXUCSXSGU-OAHLLOKOSA-N 0 0 372.400 2.738 10 0 FFAERN O=C(Nc1ccc(-n2cnnn2)cc1)N1CCC(c2nccs2)CC1 ZINC000328707397 258118709 /nfs/dbraw/zinc/11/87/09/258118709.db2.gz ATKVFYCNRYPUSA-UHFFFAOYSA-N 0 0 355.427 2.530 10 0 FFAERN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)Nc1nn2c(nccc2=O)s1 ZINC000302111776 258088274 /nfs/dbraw/zinc/08/82/74/258088274.db2.gz AZLLLYJWHZAWEW-CYBMUJFWSA-N 0 0 372.450 2.516 10 0 FFAERN O=C(c1ccccc1OC[C@H]1CCCO1)N1CCC[C@H](n2cccn2)C1 ZINC000328720867 258118900 /nfs/dbraw/zinc/11/89/00/258118900.db2.gz 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ZINC000328665021 258117170 /nfs/dbraw/zinc/11/71/70/258117170.db2.gz YYNZSAIQQRZJDI-GOSISDBHSA-N 0 0 367.424 2.521 10 0 FFAERN CCCc1cc(=O)n2nc(N[C@@H]3CCC[C@@H]([S@@](=O)CC)C3)sc2n1 ZINC000301510837 258053505 /nfs/dbraw/zinc/05/35/05/258053505.db2.gz AOYNIPXFKDVNFD-FPJCUDJDSA-N 0 0 368.528 2.595 10 0 FFAERN CC(C)(C)c1cn2nc(N[C@@H]3CCN(C(=O)c4ccccn4)C3)sc2n1 ZINC000301650635 258060722 /nfs/dbraw/zinc/06/07/22/258060722.db2.gz GITKICJIKKBDDN-GFCCVEGCSA-N 0 0 370.482 2.810 10 0 FFAERN Cn1cc([C@@]2(C)CN(c3nccc(Oc4ccc(F)cc4)n3)CCO2)cn1 ZINC000301663924 258061925 /nfs/dbraw/zinc/06/19/25/258061925.db2.gz NONOMNJITQYFMX-LJQANCHMSA-N 0 0 369.400 2.894 10 0 FFAERN CCOC(=O)c1cnc2ccc(F)cc2c1NC[C@@](C)(O)c1cnn(C)c1 ZINC000301673554 258062273 /nfs/dbraw/zinc/06/22/73/258062273.db2.gz OTAONYHFPYBOOZ-LJQANCHMSA-N 0 0 372.400 2.604 10 0 FFAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cn(-c3ccccc3Cl)nn2)[nH]1 ZINC000328679583 258117768 /nfs/dbraw/zinc/11/77/68/258117768.db2.gz NBLFRDQYJKKVFW-HNNXBMFYSA-N 0 0 371.832 2.715 10 0 FFAERN CC(=O)N1CCCc2cc(NC(=O)C[C@H](C)N3CCCCC3=O)ccc21 ZINC000328682854 258117803 /nfs/dbraw/zinc/11/78/03/258117803.db2.gz DESBFBMPNHEJGN-AWEZNQCLSA-N 0 0 357.454 2.715 10 0 FFAERN c1cc(-c2nc3ccccc3c(NC[C@@H]3CN4CCN3CC4)n2)cs1 ZINC000301767617 258066589 /nfs/dbraw/zinc/06/65/89/258066589.db2.gz IKSAHJMHXRYGLR-OAHLLOKOSA-N 0 0 351.479 2.770 10 0 FFAERN CCCn1c(CO)nnc1Sc1nn2cc(C(C)(C)C)nc2s1 ZINC000301769632 258067159 /nfs/dbraw/zinc/06/71/59/258067159.db2.gz OUTRXPRWJIPDRB-UHFFFAOYSA-N 0 0 352.489 2.733 10 0 FFAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCC[C@H](n2cccn2)C1 ZINC000328694799 258118086 /nfs/dbraw/zinc/11/80/86/258118086.db2.gz KEFKWRPCAQTCDW-AZUAARDMSA-N 0 0 366.465 2.583 10 0 FFAERN C[C@H](O)C[N@@H+]1CCN(c2cncc(SCc3ccccc3)n2)C[C@H]1C ZINC000301806354 258069000 /nfs/dbraw/zinc/06/90/00/258069000.db2.gz FIDCXWWBXYXABF-CVEARBPZSA-N 0 0 358.511 2.660 10 0 FFAERN O=C(C[C@H]1CCCCC(=O)N1)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000328687840 258118097 /nfs/dbraw/zinc/11/80/97/258118097.db2.gz ZJKUSOYMHCVPTJ-OAHLLOKOSA-N 0 0 363.483 2.712 10 0 FFAERN Cc1cc(NCCNc2nnnn2-c2ccccc2)ncc1Br ZINC000301851656 258070645 /nfs/dbraw/zinc/07/06/45/258070645.db2.gz XDZRYNRVEDJECJ-UHFFFAOYSA-N 0 0 374.246 2.652 10 0 FFAERN CCc1c(C)[nH+]c2ccccc2c1N1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000302016569 258082444 /nfs/dbraw/zinc/08/24/44/258082444.db2.gz CKZLLXGTHGDGLT-OAHLLOKOSA-N 0 0 359.495 2.766 10 0 FFAERN O=C([C@@H]1CCN1Cc1ccccc1)N1CCC(c2nncn2C2CC2)CC1 ZINC000329903770 258150168 /nfs/dbraw/zinc/15/01/68/258150168.db2.gz QOBIWQQQCYQROD-IBGZPJMESA-N 0 0 365.481 2.594 10 0 FFAERN O=C(CCc1nnc(C2CCCC2)o1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000329967625 258152011 /nfs/dbraw/zinc/15/20/11/258152011.db2.gz WGXDAWDCOZYHDU-OAHLLOKOSA-N 0 0 361.364 2.576 10 0 FFAERN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N1CCCNC(=O)[C@H]1C ZINC000330015205 258152954 /nfs/dbraw/zinc/15/29/54/258152954.db2.gz NOQGYPMUCYDYRK-OAHLLOKOSA-N 0 0 353.422 2.645 10 0 FFAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)c3ccc(C4CCC4)cc3)CCO2)n1 ZINC000330034449 258153390 /nfs/dbraw/zinc/15/33/90/258153390.db2.gz AZTKKYYFNCFOTG-IBGZPJMESA-N 0 0 354.454 2.704 10 0 FFAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000330070187 258154197 /nfs/dbraw/zinc/15/41/97/258154197.db2.gz HVYLUVZHEYHHOC-BFUOFWGJSA-N 0 0 368.412 2.703 10 0 FFAERN CC1(C)CN(C(=O)c2ccn(Cc3ccccc3)n2)C[C@]2(CCCOC2)O1 ZINC000330102314 258155405 /nfs/dbraw/zinc/15/54/05/258155405.db2.gz FSLVLLMUUOPKGX-NRFANRHFSA-N 0 0 369.465 2.732 10 0 FFAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCCN(C)c2ccc(F)cc21 ZINC000330114372 258155578 /nfs/dbraw/zinc/15/55/78/258155578.db2.gz DSXRHQFXGQANQF-RDTXWAMCSA-N 0 0 358.417 2.510 10 0 FFAERN CC[C@H](OC1CCCCC1)C(=O)N1C[C@H](OC)C[C@H]1c1nc(C)no1 ZINC000330216788 258158831 /nfs/dbraw/zinc/15/88/31/258158831.db2.gz NKJNXNCHVAEOTQ-PMPSAXMXSA-N 0 0 351.447 2.794 10 0 FFAERN Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CCO[C@H]3c3ccnn3C)C2)sc1C ZINC000330215971 258158918 /nfs/dbraw/zinc/15/89/18/258158918.db2.gz MUQUEZIMGMPBMF-ZMSDIMECSA-N 0 0 374.510 2.977 10 0 FFAERN C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)C[C@H]1O ZINC000330233965 258159326 /nfs/dbraw/zinc/15/93/26/258159326.db2.gz YDFHEHXCQSWABU-SWLSCSKDSA-N 0 0 373.902 2.910 10 0 FFAERN Cc1nc([C@@H]2CCCN2C(=O)Cn2cnc3c(C)cccc3c2=O)cs1 ZINC000330254019 258160122 /nfs/dbraw/zinc/16/01/22/258160122.db2.gz JEWNPVGTRHMOJM-INIZCTEOSA-N 0 0 368.462 2.834 10 0 FFAERN CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CC[C@H]3CCC[C@@H]32)c1 ZINC000330310012 258161332 /nfs/dbraw/zinc/16/13/32/258161332.db2.gz NCHRJSAGZNKVOP-WBVHZDCISA-N 0 0 364.511 2.919 10 0 FFAERN Cc1cnc([C@H](C)Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)o1 ZINC000330320043 258161477 /nfs/dbraw/zinc/16/14/77/258161477.db2.gz ROKDUEUIUQIKKA-ZDUSSCGKSA-N 0 0 350.444 2.726 10 0 FFAERN Cn1cc(C(=O)Nc2ccc(NC3CCOCC3)cc2)c([C@H]2CCOC2)n1 ZINC000330356744 258162234 /nfs/dbraw/zinc/16/22/34/258162234.db2.gz RZVKKAVMSBPWJQ-AWEZNQCLSA-N 0 0 370.453 2.767 10 0 FFAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@]23CCOc2ccccc23)[nH]1 ZINC000328759249 258119992 /nfs/dbraw/zinc/11/99/92/258119992.db2.gz WGKGGMBZBNEDFE-GUXCAODWSA-N 0 0 352.438 2.907 10 0 FFAERN Cc1nnc([C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)[nH]1 ZINC000328762848 258120145 /nfs/dbraw/zinc/12/01/45/258120145.db2.gz ZBKWHFNWWHGVCT-ZDUSSCGKSA-N 0 0 363.468 2.639 10 0 FFAERN O=C(c1coc(C2CCCC2)n1)N1CCC(c2ccnn2CCO)CC1 ZINC000328780425 258120595 /nfs/dbraw/zinc/12/05/95/258120595.db2.gz ULLSTGLVXAUCSH-UHFFFAOYSA-N 0 0 358.442 2.541 10 0 FFAERN Cc1csc(-c2cccc(S(=O)(=O)N[C@H]3CCC[C@]3(C)CO)c2)n1 ZINC000328809857 258121337 /nfs/dbraw/zinc/12/13/37/258121337.db2.gz MNXVRKRMUXJLNW-DOTOQJQBSA-N 0 0 366.508 2.948 10 0 FFAERN CC(C)(C)c1cc(CS(=O)(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)no1 ZINC000328878842 258123093 /nfs/dbraw/zinc/12/30/93/258123093.db2.gz LELNMROZXKRQCP-CABCVRRESA-N 0 0 366.487 2.772 10 0 FFAERN Cc1nc2c(nccc2C(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)[nH]1 ZINC000329060001 258128226 /nfs/dbraw/zinc/12/82/26/258128226.db2.gz YXDFUKCSKAUWTR-MRXNPFEDSA-N 0 0 364.453 2.856 10 0 FFAERN C[C@@H](C(=O)N1CCc2sccc2C1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329067391 258128406 /nfs/dbraw/zinc/12/84/06/258128406.db2.gz WYXOVGGAQKPZSQ-WFASDCNBSA-N 0 0 372.494 2.771 10 0 FFAERN Cc1csc([C@@H]2CCCCN2C(=O)Cn2ncc(=O)c3ccccc32)n1 ZINC000329108694 258129641 /nfs/dbraw/zinc/12/96/41/258129641.db2.gz POTZEKYJMKQGLI-INIZCTEOSA-N 0 0 368.462 2.915 10 0 FFAERN COc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1-c1ccn(C)n1 ZINC000329128736 258130130 /nfs/dbraw/zinc/13/01/30/258130130.db2.gz ZQNNWRCIXYVHMX-PKOBYXMFSA-N 0 0 355.438 2.879 10 0 FFAERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329156069 258130950 /nfs/dbraw/zinc/13/09/50/258130950.db2.gz BWNZTHOJLWDUFQ-GJZGRUSLSA-N 0 0 374.485 2.690 10 0 FFAERN Cn1cc([C@H]2CN(C(=O)[C@]3(C)CCCc4ccccc43)C[C@@H]2C(N)=O)cn1 ZINC000329172727 258131361 /nfs/dbraw/zinc/13/13/61/258131361.db2.gz KMLWUJYQSGEFSN-LLGFUMIMSA-N 0 0 366.465 2.792 10 0 FFAERN Cc1cnn(CC2CCN([C@@H](C)C(=O)Nc3ccnn3C(C)C)CC2)c1 ZINC000329180157 258131689 /nfs/dbraw/zinc/13/16/89/258131689.db2.gz OBFKNDRPHBYSDB-INIZCTEOSA-N 0 0 358.490 2.708 10 0 FFAERN O=S(=O)(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cnc2ccc(F)cc2c1 ZINC000329185121 258131942 /nfs/dbraw/zinc/13/19/42/258131942.db2.gz AJXNWRWPZCFGJN-OIISXLGYSA-N 0 0 350.415 2.610 10 0 FFAERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000329191483 258132300 /nfs/dbraw/zinc/13/23/00/258132300.db2.gz QKRWKZCDXZAOJY-BHOPFYFBSA-N 0 0 371.481 2.908 10 0 FFAERN O=C1CC[C@H](NS(=O)(=O)c2cnc3ccc(F)cc3c2)C2(CCC2)N1 ZINC000329226434 258133102 /nfs/dbraw/zinc/13/31/02/258133102.db2.gz HKMVUGPJXHNFOD-HNNXBMFYSA-N 0 0 363.414 2.694 10 0 FFAERN Cc1nc(C(=O)N2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)c(C)s1 ZINC000329254164 258133899 /nfs/dbraw/zinc/13/38/99/258133899.db2.gz ACPUQFHTBGTUHB-CYBMUJFWSA-N 0 0 370.434 2.925 10 0 FFAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)no1 ZINC000329368961 258136641 /nfs/dbraw/zinc/13/66/41/258136641.db2.gz JJIGUKDQMHEXGN-GJZGRUSLSA-N 0 0 374.828 2.748 10 0 FFAERN Cc1nc([C@H]2CCCN2C(=O)c2cn(-c3ccccc3Cl)nn2)no1 ZINC000329392429 258137227 /nfs/dbraw/zinc/13/72/27/258137227.db2.gz SCHPXIXYFBULHK-CQSZACIVSA-N 0 0 358.789 2.589 10 0 FFAERN Cc1csc(N2CCC(C(=O)N3CCC[C@@H](c4nnc(C)[nH]4)C3)CC2)n1 ZINC000329430860 258138517 /nfs/dbraw/zinc/13/85/17/258138517.db2.gz IHUJJKKXWFPYFP-OAHLLOKOSA-N 0 0 374.514 2.501 10 0 FFAERN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C[C@H]1CCCCNC1=O ZINC000329486212 258139761 /nfs/dbraw/zinc/13/97/61/258139761.db2.gz GFMTYPIGZSLWPO-RHSMWYFYSA-N 0 0 373.453 2.690 10 0 FFAERN Cc1c(CC(=O)N2CCCC[C@H]2c2cn[nH]c2)nnn1-c1ccc(C)cc1 ZINC000329483411 258139812 /nfs/dbraw/zinc/13/98/12/258139812.db2.gz FFVGZTIBPNCAQN-IBGZPJMESA-N 0 0 364.453 2.904 10 0 FFAERN Cc1nnc([C@@H]2CCCN(C(=O)C[C@H]3Sc4ccccc4NC3=O)C2)[nH]1 ZINC000329477994 258139818 /nfs/dbraw/zinc/13/98/18/258139818.db2.gz PYSBPRSLBGZIDG-IUODEOHRSA-N 0 0 371.466 2.972 10 0 FFAERN C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)Cc1cccc2cccnc21 ZINC000329548703 258141634 /nfs/dbraw/zinc/14/16/34/258141634.db2.gz IUFNQTSHJXGGNE-MAUKXSAKSA-N 0 0 359.495 2.623 10 0 FFAERN C[C@H]1CC(c2noc([C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)n2)C[C@H](C)C1 ZINC000329550997 258141794 /nfs/dbraw/zinc/14/17/94/258141794.db2.gz CSKSBSIJAZGWDU-LUYZLQTOSA-N 0 0 363.458 2.688 10 0 FFAERN C[C@]12CCCN1C[C@H](c1noc(C[C@H]3Oc4ccccc4NC3=O)n1)OC2 ZINC000329553328 258141813 /nfs/dbraw/zinc/14/18/13/258141813.db2.gz DGBAYESPZSYMJU-SPYBWZPUSA-N 0 0 370.409 2.587 10 0 FFAERN COc1ccccc1[C@H]1CCC[C@@H](C)N1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000329563455 258142004 /nfs/dbraw/zinc/14/20/04/258142004.db2.gz NMDRLYHKLCUBFT-IJEWVQPXSA-N 0 0 351.468 2.572 10 0 FFAERN Cc1nc([C@H]2CN(C(=O)[C@@H](OC3CCCC3)c3ccccc3)CCO2)no1 ZINC000329585416 258142213 /nfs/dbraw/zinc/14/22/13/258142213.db2.gz YDMBEWAATXGQIM-MSOLQXFVSA-N 0 0 371.437 2.978 10 0 FFAERN Cc1nc(C)c(CCC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c(=O)[nH]1 ZINC000329582472 258142249 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CC[C@@H](O)CN1CCN(C(=O)Nc2nc(Cc3ccccc3)cs2)CC1 ZINC000184446204 510329938 /nfs/dbraw/zinc/32/99/38/510329938.db2.gz AJSLBPHJKCPFEP-QGZVFWFLSA-N 0 0 374.510 2.654 10 0 FFAERN CC(C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000174828379 510330906 /nfs/dbraw/zinc/33/09/06/510330906.db2.gz SVBVIMPREHWTKA-MRXNPFEDSA-N 0 0 356.430 2.742 10 0 FFAERN CCn1nc(C)c(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1Cl ZINC000187558474 510331386 /nfs/dbraw/zinc/33/13/86/510331386.db2.gz OZGNCVGLYJUFEG-STQMWFEESA-N 0 0 353.875 2.774 10 0 FFAERN Cc1ccc2oc(N3CCN(Cc4nnc(C5CCC5)n4C)CC3)nc2c1 ZINC000181273955 510332486 /nfs/dbraw/zinc/33/24/86/510332486.db2.gz MLHACPVTALCEPZ-UHFFFAOYSA-N 0 0 366.469 2.854 10 0 FFAERN O=C(NCc1ccnc(N2CCOCC2)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171739034 510340018 /nfs/dbraw/zinc/34/00/18/510340018.db2.gz OQNUWZHFZRAAPR-HZPDHXFCSA-N 0 0 373.403 2.616 10 0 FFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cccc(Cl)c1Cl ZINC000194397544 510343274 /nfs/dbraw/zinc/34/32/74/510343274.db2.gz NXBGZQWYCMBTGV-LBPRGKRZSA-N 0 0 369.252 2.925 10 0 FFAERN O=C(c1ccc2c(c1)OCC(=O)N2)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174852163 510344972 /nfs/dbraw/zinc/34/49/72/510344972.db2.gz NBXMWPAXLJFBPZ-WMZOPIPTSA-N 0 0 366.417 2.746 10 0 FFAERN O=C(Nc1cccnc1N1CCOCC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171748751 510345173 /nfs/dbraw/zinc/34/51/73/510345173.db2.gz HSSHIGJBAJWRKI-UONOGXRCSA-N 0 0 359.376 2.939 10 0 FFAERN O=C(CCNC(=O)c1ccco1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174862719 510351630 /nfs/dbraw/zinc/35/16/30/510351630.db2.gz RYNHFJAURUMJLY-IAGOWNOFSA-N 0 0 356.422 2.514 10 0 FFAERN CCn1cc([C@H]2CN(Cc3ccn(-c4c(F)cccc4F)n3)CCO2)cn1 ZINC000190808147 510353160 /nfs/dbraw/zinc/35/31/60/510353160.db2.gz WMVYHDPFCPQBQJ-GOSISDBHSA-N 0 0 373.407 2.940 10 0 FFAERN COc1ccc(COCCCNC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000171762719 510353686 /nfs/dbraw/zinc/35/36/86/510353686.db2.gz YUJJTWSVRSKLBD-PMACEKPBSA-N 0 0 370.449 2.559 10 0 FFAERN Cc1ncsc1CN(C)C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000171761137 510353801 /nfs/dbraw/zinc/35/38/01/510353801.db2.gz DIHFXSKSCSVXII-LLVKDONJSA-N 0 0 356.492 2.896 10 0 FFAERN Cn1cc([C@@H]2CNCCN2C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)cn1 ZINC000181322158 510354177 /nfs/dbraw/zinc/35/41/77/510354177.db2.gz DSIIZQQHCVNTIC-HKBOAZHASA-N 0 0 360.461 2.850 10 0 FFAERN CCn1cc([C@H]2CN([C@@H](C)C(=O)Nc3cc(F)ccc3F)CCO2)cn1 ZINC000190813222 510356836 /nfs/dbraw/zinc/35/68/36/510356836.db2.gz WGXRRHCEBVWBEB-YVEFUNNKSA-N 0 0 364.396 2.582 10 0 FFAERN CN(Cc1ncc(Cl)n1C)C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000181328383 510358290 /nfs/dbraw/zinc/35/82/90/510358290.db2.gz VALOFCSAPDGFSL-QWHCGFSZSA-N 0 0 350.854 2.595 10 0 FFAERN O=C(c1ccc(N2CCCC2)nn1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174877007 510359787 /nfs/dbraw/zinc/35/97/87/510359787.db2.gz MGJXBJZSTVGKMT-IEBWSBKVSA-N 0 0 366.465 2.805 10 0 FFAERN CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccccc2N(C)C)C12CCCC2 ZINC000190822862 510360593 /nfs/dbraw/zinc/36/05/93/510360593.db2.gz HCFJXQBVQZEUBA-MSOLQXFVSA-N 0 0 373.497 2.887 10 0 FFAERN Cc1ccc([C@@H]2CN([C@H](C)C(=O)N3CCc4sccc4C3)CCO2)o1 ZINC000246205093 510362502 /nfs/dbraw/zinc/36/25/02/510362502.db2.gz DWTNFHRFUBGNMJ-PBHICJAKSA-N 0 0 360.479 2.996 10 0 FFAERN Cc1ccc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1NS(C)(=O)=O ZINC000246208574 510363883 /nfs/dbraw/zinc/36/38/83/510363883.db2.gz BSGLFCGXMVRXSY-ZHALLVOQSA-N 0 0 370.474 2.682 10 0 FFAERN O=C(Nc1ccc2cccc(Cl)c2n1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000181339387 510364511 /nfs/dbraw/zinc/36/45/11/510364511.db2.gz GRKIAWICDVCKOX-NSHDSACASA-N 0 0 355.785 2.603 10 0 FFAERN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCNC[C@H]2c2cnn(C)c2)c1 ZINC000181340265 510365045 /nfs/dbraw/zinc/36/50/45/510365045.db2.gz WMGWXQQFYXJDJX-APWZRJJASA-N 0 0 370.497 2.792 10 0 FFAERN COC(=O)[C@@]1(C)CCCN1C(=O)CCc1cccc(Br)c1 ZINC000187643113 510368365 /nfs/dbraw/zinc/36/83/65/510368365.db2.gz HCLDMPAOOAGABS-MRXNPFEDSA-N 0 0 354.244 2.936 10 0 FFAERN COc1ncccc1CNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000174889095 510368484 /nfs/dbraw/zinc/36/84/84/510368484.db2.gz SGQHOTSTNRMMCX-CQSZACIVSA-N 0 0 351.410 2.836 10 0 FFAERN Cc1cc(C)n(CCCNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)n1 ZINC000171790369 510370343 /nfs/dbraw/zinc/37/03/43/510370343.db2.gz FJVDLWWUTHWINU-ICSRJNTNSA-N 0 0 368.481 2.616 10 0 FFAERN COc1ccc(OC)c(NC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000181360963 510372115 /nfs/dbraw/zinc/37/21/15/510372115.db2.gz BNUSTCFKNFSJPT-LBPRGKRZSA-N 0 0 359.430 2.555 10 0 FFAERN COc1ccccc1/C=C/C(=O)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000194453785 510373156 /nfs/dbraw/zinc/37/31/56/510373156.db2.gz GAKNNGRPBMOYAG-AUECHBEKSA-N 0 0 356.426 2.564 10 0 FFAERN Cn1cc([C@H]2CNCCN2C(=O)C[C@@H](c2ccccc2)C(F)(F)F)cn1 ZINC000181362247 510373931 /nfs/dbraw/zinc/37/39/31/510373931.db2.gz QCPLQRJCAOEUOV-JKSUJKDBSA-N 0 0 366.387 2.629 10 0 FFAERN COC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000178010204 510374403 /nfs/dbraw/zinc/37/44/03/510374403.db2.gz QEEHVAFSWXYATE-LBPRGKRZSA-N 0 0 357.414 2.592 10 0 FFAERN O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181365288 510376674 /nfs/dbraw/zinc/37/66/74/510376674.db2.gz CTTSLSQLIKKCPN-QGZVFWFLSA-N 0 0 362.437 2.847 10 0 FFAERN C[C@H]1C[C@@H]1NC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 ZINC000246225519 510376649 /nfs/dbraw/zinc/37/66/49/510376649.db2.gz RRYIMPRSWJERPP-SHUKQUCYSA-N 0 0 369.868 2.949 10 0 FFAERN CN(CCc1ccncc1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171801350 510377472 /nfs/dbraw/zinc/37/74/72/510377472.db2.gz FUFPEUXQKPRDMJ-UYAOXDASSA-N 0 0 351.450 2.692 10 0 FFAERN Cc1nccn1C[C@H](C)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171799273 510377577 /nfs/dbraw/zinc/37/75/77/510377577.db2.gz VPSGAKZPFOCFRV-MOXGXCLJSA-N 0 0 368.481 2.554 10 0 FFAERN CC1(C)CO[C@H](c2ccccc2)CN1Cc1nnnn1CC(F)(F)F ZINC000190859212 510378834 /nfs/dbraw/zinc/37/88/34/510378834.db2.gz XPQJUFGOKNSKFQ-ZDUSSCGKSA-N 0 0 355.364 2.588 10 0 FFAERN CCOc1cc2c(cc1CNC(=O)N[C@@H]1CCCC[C@@H]1CO)O[C@@H](C)C2 ZINC000246232267 510380565 /nfs/dbraw/zinc/38/05/65/510380565.db2.gz QIXMSPRFSBPGBP-JJRVBVJISA-N 0 0 362.470 2.759 10 0 FFAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCCC[C@H]2c2nc[nH]n2)n1 ZINC000181377786 510381593 /nfs/dbraw/zinc/38/15/93/510381593.db2.gz FEVQVCARQYQHMO-LBPRGKRZSA-N 0 0 352.389 2.962 10 0 FFAERN O=C(Nc1cccc2ccccc21)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246240026 510383090 /nfs/dbraw/zinc/38/30/90/510383090.db2.gz XKAGOEBJDATMSU-CGTJXYLNSA-N 0 0 350.418 2.852 10 0 FFAERN Cn1cc([C@@H]2CNCCN2C(=O)c2cccc(OC3CCCC3)c2)cn1 ZINC000181383235 510383522 /nfs/dbraw/zinc/38/35/22/510383522.db2.gz AOCNFUQAEINWNN-IBGZPJMESA-N 0 0 354.454 2.528 10 0 FFAERN Cc1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1F ZINC000181390464 510386167 /nfs/dbraw/zinc/38/61/67/510386167.db2.gz TVTHMDRNUMTXBH-IUODEOHRSA-N 0 0 371.380 2.909 10 0 FFAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000171816333 510387044 /nfs/dbraw/zinc/38/70/44/510387044.db2.gz PFWWRXOGYCQHTF-INIZCTEOSA-N 0 0 350.426 2.504 10 0 FFAERN O=C(NCCCc1ccccn1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000194485091 510388699 /nfs/dbraw/zinc/38/86/99/510388699.db2.gz RVJKDJFMOBHBBU-INIZCTEOSA-N 0 0 361.239 2.897 10 0 FFAERN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181396133 510390747 /nfs/dbraw/zinc/39/07/47/510390747.db2.gz NSGMRUOVOBFZPL-KBPBESRZSA-N 0 0 363.462 2.648 10 0 FFAERN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181396095 510390808 /nfs/dbraw/zinc/39/08/08/510390808.db2.gz NSGMRUOVOBFZPL-UONOGXRCSA-N 0 0 363.462 2.648 10 0 FFAERN COc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)ccc1OCC(C)C ZINC000171822161 510391888 /nfs/dbraw/zinc/39/18/88/510391888.db2.gz FRGCGCIZOMKSEG-MRXNPFEDSA-N 0 0 358.442 2.799 10 0 FFAERN COc1cc(CCNC(=O)N[C@@H](C)COCc2ccccc2)ccc1O ZINC000174934709 510395400 /nfs/dbraw/zinc/39/54/00/510395400.db2.gz MLNUMRUFFVEABM-HNNXBMFYSA-N 0 0 358.438 2.848 10 0 FFAERN O=C(Nc1cccc(OCCF)c1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000178055774 510403431 /nfs/dbraw/zinc/40/34/31/510403431.db2.gz OYJDHXQDQSKZFF-INIZCTEOSA-N 0 0 358.369 2.613 10 0 FFAERN Cc1cccc([C@H](O)CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000178054482 510403751 /nfs/dbraw/zinc/40/37/51/510403751.db2.gz CHFCTZKEMUOLQT-QKNQBKEWSA-N 0 0 366.461 2.754 10 0 FFAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000246282059 510405785 /nfs/dbraw/zinc/40/57/85/510405785.db2.gz SOTYNCUBKOVXPU-ACRUOGEOSA-N 0 0 352.478 2.858 10 0 FFAERN O=C(c1cc2ccccn2c1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000174966891 510411015 /nfs/dbraw/zinc/41/10/15/510411015.db2.gz OADPGXZELRRZHE-UHFFFAOYSA-N 0 0 365.437 2.548 10 0 FFAERN CCOC(=O)c1cccc(NC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000181441362 510411253 /nfs/dbraw/zinc/41/12/53/510411253.db2.gz QLJYDECWSCEQEI-HNNXBMFYSA-N 0 0 371.441 2.715 10 0 FFAERN C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC[C@@H](O)c2ccsc2)CC1=O ZINC000246293533 510411465 /nfs/dbraw/zinc/41/14/65/510411465.db2.gz WQOHZPVGTCFJEJ-XOKHGSTOSA-N 0 0 358.463 2.507 10 0 FFAERN CN1C(=O)CC[C@H](C(=O)NCCc2ccccc2O)[C@H]1c1ccccc1 ZINC000171852755 510411984 /nfs/dbraw/zinc/41/19/84/510411984.db2.gz JJTZTMQHWZLFLT-FXAWDEMLSA-N 0 0 352.434 2.661 10 0 FFAERN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246301735 510415922 /nfs/dbraw/zinc/41/59/22/510415922.db2.gz XXANNUSNYYYAPG-GUDVDZBRSA-N 0 0 353.422 2.775 10 0 FFAERN C[C@H](CNc1cc(N2CCC[C@@H]2CO)ncn1)COCc1ccccc1 ZINC000171861043 510416110 /nfs/dbraw/zinc/41/61/10/510416110.db2.gz XTMVYBKCSUITPW-SJLPKXTDSA-N 0 0 356.470 2.703 10 0 FFAERN O=C(NCCSC(F)(F)F)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000194545005 510418105 /nfs/dbraw/zinc/41/81/05/510418105.db2.gz LAABUCAQFJLSHW-NSHDSACASA-N 0 0 373.404 2.871 10 0 FFAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246309618 510419517 /nfs/dbraw/zinc/41/95/17/510419517.db2.gz BCAYDXDSWZLQHC-RRQGHBQHSA-N 0 0 364.461 2.791 10 0 FFAERN O=C(N[C@@H]1CCCOC1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000171871119 510421073 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/nfs/dbraw/zinc/73/22/98/510732298.db2.gz YCOHXRNPCZMCKZ-KBPBESRZSA-N 0 0 357.545 2.514 10 0 FFAERN C[C@H](NC(=O)NCC1(CO)CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000178707294 510732327 /nfs/dbraw/zinc/73/23/27/510732327.db2.gz NIHCADDYQCHKQA-KMYSJOAASA-N 0 0 350.503 2.680 10 0 FFAERN O=C(Cc1coc(-c2ccc(F)cc2)n1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178711032 510733996 /nfs/dbraw/zinc/73/39/96/510733996.db2.gz SGKKJLPDKBYJID-MJGOQNOKSA-N 0 0 352.365 2.798 10 0 FFAERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)C1(C)C ZINC000178714305 510735678 /nfs/dbraw/zinc/73/56/78/510735678.db2.gz CZAVCSYKCAAADA-RBSFLKMASA-N 0 0 363.506 2.561 10 0 FFAERN C[C@H]1CN(C(=O)NCCc2csc3ccccc23)C[C@H]1N1CCOCC1 ZINC000175692744 510737163 /nfs/dbraw/zinc/73/71/63/510737163.db2.gz HEXIUGYLMVMEJZ-MAUKXSAKSA-N 0 0 373.522 2.806 10 0 FFAERN CNC(=O)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C ZINC000178722923 510739211 /nfs/dbraw/zinc/73/92/11/510739211.db2.gz FNHHVTWQNIFKOF-CYBMUJFWSA-N 0 0 351.859 2.964 10 0 FFAERN Fc1cccc(F)c1-n1ccc(CN2CCS[C@@H]3COCC[C@H]32)n1 ZINC000246911041 510740501 /nfs/dbraw/zinc/74/05/01/510740501.db2.gz YADYZGJBAMMNQK-HZPDHXFCSA-N 0 0 351.422 2.857 10 0 FFAERN O=C(Nc1cc(F)c(F)cc1Cl)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246916373 510743386 /nfs/dbraw/zinc/74/33/86/510743386.db2.gz FGYDLNCYLMGPMR-PELMWDNLSA-N 0 0 358.772 2.631 10 0 FFAERN COC[C@H](NC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(C)o1 ZINC000175702656 510743955 /nfs/dbraw/zinc/74/39/55/510743955.db2.gz VWDMYNBGLFUCBU-RDJZCZTQSA-N 0 0 369.425 2.791 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cc3c(c(Cl)c1)OCO3)CC2 ZINC000195266898 510746732 /nfs/dbraw/zinc/74/67/32/510746732.db2.gz QFAHIRUSQOKQMD-NSHDSACASA-N 0 0 362.817 2.528 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)C1=Cc3cc(Cl)ccc3OC1)CC2 ZINC000195270387 510748782 /nfs/dbraw/zinc/74/87/82/510748782.db2.gz HAAWYCMAQRNXQO-HNNXBMFYSA-N 0 0 372.856 2.962 10 0 FFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)COCc1ccccc1 ZINC000175711854 510749030 /nfs/dbraw/zinc/74/90/30/510749030.db2.gz CQWDMCBDFOONRY-YOEHRIQHSA-N 0 0 357.458 2.574 10 0 FFAERN O=C(CCC(=O)c1ccc2c(c1)CCCC2)N[C@H]1CCCn2ncnc21 ZINC000175714759 510749544 /nfs/dbraw/zinc/74/95/44/510749544.db2.gz YXGIBRXLZDHNSK-KRWDZBQOSA-N 0 0 352.438 2.771 10 0 FFAERN C[C@H]1OCCC[C@H]1C(=O)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000191610850 510749771 /nfs/dbraw/zinc/74/97/71/510749771.db2.gz GVLTYDAOZJLDOS-HZPDHXFCSA-N 0 0 366.889 2.678 10 0 FFAERN Cc1ccc(Br)nc1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000188407888 510752519 /nfs/dbraw/zinc/75/25/19/510752519.db2.gz OSILGRGRXQWUDC-SNVBAGLBSA-N 0 0 364.247 2.571 10 0 FFAERN Cc1ccc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc1C(=O)NC(C)C ZINC000172494220 510754931 /nfs/dbraw/zinc/75/49/31/510754931.db2.gz DRUONWXLRKNWBW-OALUTQOASA-N 0 0 367.449 2.913 10 0 FFAERN CCC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C(=O)[O-] ZINC000263576174 510756603 /nfs/dbraw/zinc/75/66/03/510756603.db2.gz QBDLGUOQGOJIEC-KRWDZBQOSA-N 0 0 369.421 2.720 10 0 FFAERN CCOCC[N@@H+]1CCN(C(=O)C[C@@H]2OCCc3ccccc32)C[C@H]1CC ZINC000246942887 510759615 /nfs/dbraw/zinc/75/96/15/510759615.db2.gz IZJKHILKDFCHLE-QUCCMNQESA-N 0 0 360.498 2.650 10 0 FFAERN CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000195283082 510759897 /nfs/dbraw/zinc/75/98/97/510759897.db2.gz HRRAEAIHYGRENT-GDBMZVCRSA-N 0 0 370.453 2.503 10 0 FFAERN CC(C)Oc1ccccc1CC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195283862 510760466 /nfs/dbraw/zinc/76/04/66/510760466.db2.gz RZOPKZNHNAXAID-INIZCTEOSA-N 0 0 356.470 2.862 10 0 FFAERN C[C@@H]1CSCCN1C(=O)C1CCC(C(=O)N2CCSC[C@H]2C)CC1 ZINC000172510125 510761068 /nfs/dbraw/zinc/76/10/68/510761068.db2.gz WGUIAPZYQITOFR-WXLSXGNJSA-N 0 0 370.584 2.721 10 0 FFAERN Cc1cc(N2CCOCC2)ccc1NC(=O)N(C)[C@H](C)c1cnn(C)c1 ZINC000182109966 510761639 /nfs/dbraw/zinc/76/16/39/510761639.db2.gz BVGJNBFTXRDYDZ-OAHLLOKOSA-N 0 0 357.458 2.790 10 0 FFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCOc3ccccc31)CC2 ZINC000172515848 510764558 /nfs/dbraw/zinc/76/45/58/510764558.db2.gz WRNJIVUFWXRVFN-UKRRQHHQSA-N 0 0 355.442 2.539 10 0 FFAERN Cc1ccccc1C(C)(C)CNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000175742092 510766326 /nfs/dbraw/zinc/76/63/26/510766326.db2.gz XXPFLDTXIPNASJ-IEBWSBKVSA-N 0 0 359.514 2.635 10 0 FFAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cnc(-c2ccco2)s1 ZINC000172519868 510767713 /nfs/dbraw/zinc/76/77/13/510767713.db2.gz OPKJLTPKIJPFPZ-GFCCVEGCSA-N 0 0 355.423 2.592 10 0 FFAERN C[C@H]1CN([C@H](CNC(=O)CCc2ccncc2)c2cccs2)CCO1 ZINC000246960712 510768960 /nfs/dbraw/zinc/76/89/60/510768960.db2.gz POXBGYCOJNIDEG-DOTOQJQBSA-N 0 0 359.495 2.654 10 0 FFAERN CCc1nnc2ccc(N[C@H]3CCN(C(C)=O)Cc4cc(F)ccc43)nn21 ZINC000185247900 510771255 /nfs/dbraw/zinc/77/12/55/510771255.db2.gz OQIHRAZXUMDHAJ-INIZCTEOSA-N 0 0 368.416 2.731 10 0 FFAERN COC(=O)c1ccc(-c2nc(CN3CCC[C@@H](n4cncn4)C3)co2)cc1 ZINC000182148395 510782162 /nfs/dbraw/zinc/78/21/62/510782162.db2.gz OAJWUMOYAYGSCL-QGZVFWFLSA-N 0 0 367.409 2.557 10 0 FFAERN CS[C@@H](C(=O)N1CCCN(c2ccc(C)nn2)CC1)c1ccccc1 ZINC000172541967 510783144 /nfs/dbraw/zinc/78/31/44/510783144.db2.gz QRLYQINLQDLNRQ-GOSISDBHSA-N 0 0 356.495 2.928 10 0 FFAERN CCOC1CC(CCNC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)C1 ZINC000191679309 510783687 /nfs/dbraw/zinc/78/36/87/510783687.db2.gz YCOBSNYTAGMVHW-ADKAHSJRSA-N 0 0 363.506 2.522 10 0 FFAERN CS[C@@H](C(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1)c1ccccc1 ZINC000172546567 510784234 /nfs/dbraw/zinc/78/42/34/510784234.db2.gz GQJJJZRFCCWKHH-QZTJIDSGSA-N 0 0 359.495 2.832 10 0 FFAERN CS[C@@H](C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1)c1ccccc1 ZINC000172546501 510784868 /nfs/dbraw/zinc/78/48/68/510784868.db2.gz QUWCZLIRDAGDSS-XJKSGUPXSA-N 0 0 360.483 2.688 10 0 FFAERN COC(=O)[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1C)c1ccccc1 ZINC000195325240 510785076 /nfs/dbraw/zinc/78/50/76/510785076.db2.gz DCIQDMOLKUBWKV-IBGZPJMESA-N 0 0 363.417 2.884 10 0 FFAERN Cc1noc([C@H]2COCCN2Cc2ccc(Oc3cnccn3)cc2)n1 ZINC000188476421 510786076 /nfs/dbraw/zinc/78/60/76/510786076.db2.gz VJFJJCJKGONONJ-MRXNPFEDSA-N 0 0 353.382 2.534 10 0 FFAERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2nc(C)c(C)nc2C)C1 ZINC000185278343 510786789 /nfs/dbraw/zinc/78/67/89/510786789.db2.gz OLWYVNWVLTVEHE-ROUUACIJSA-N 0 0 367.449 2.821 10 0 FFAERN CSC[C@@H](CCO)NC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000172555603 510788236 /nfs/dbraw/zinc/78/82/36/510788236.db2.gz SWLZTFWNMWXIBS-CQSZACIVSA-N 0 0 362.499 2.998 10 0 FFAERN C[C@H](C(=O)NCC(F)(F)F)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246993478 510788368 /nfs/dbraw/zinc/78/83/68/510788368.db2.gz WNJGJNTVNJYTMC-UGFHNGPFSA-N 0 0 362.367 2.781 10 0 FFAERN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)CCO2)[nH]1 ZINC000246994787 510788861 /nfs/dbraw/zinc/78/88/61/510788861.db2.gz NMRRSPHKVPRWDU-OTWHNJEPSA-N 0 0 362.433 2.970 10 0 FFAERN COc1ccccc1CNC(=O)CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000195333856 510789565 /nfs/dbraw/zinc/78/95/65/510789565.db2.gz TYSWCDSNOFXKGC-INIZCTEOSA-N 0 0 359.495 2.956 10 0 FFAERN Cc1csc([C@H]2CCCN([C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)C2)n1 ZINC000195335814 510790326 /nfs/dbraw/zinc/79/03/26/510790326.db2.gz ACTMFHOHQYNRQI-ZFWWWQNUSA-N 0 0 372.494 2.757 10 0 FFAERN CCOc1ccc(CCC(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)cc1 ZINC000191706081 510793419 /nfs/dbraw/zinc/79/34/19/510793419.db2.gz ITHYHPKLPPUHRN-LJQANCHMSA-N 0 0 357.454 2.834 10 0 FFAERN CCc1nc(C2(NC(=O)c3cc4ccccc4[nH]c3=O)CCCC2)no1 ZINC000175795225 510793822 /nfs/dbraw/zinc/79/38/22/510793822.db2.gz VQJYZBOMCBQYRT-UHFFFAOYSA-N 0 0 352.394 2.673 10 0 FFAERN C[C@H](NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1ccc(F)cc1Cl ZINC000175795319 510794464 /nfs/dbraw/zinc/79/44/64/510794464.db2.gz OBUOSKYBBUGGTD-IGCXYCKISA-N 0 0 369.868 2.902 10 0 FFAERN CCc1nc(C2(NC(=O)[C@@H]3CCCN(CC(F)(F)F)C3)CCCC2)no1 ZINC000175797003 510795392 /nfs/dbraw/zinc/79/53/92/510795392.db2.gz UZWFDPJFXAKHMT-GFCCVEGCSA-N 0 0 374.407 2.792 10 0 FFAERN CCc1nc(C2(NC(=O)CCn3cnc4ccccc43)CCCC2)no1 ZINC000175797591 510795950 /nfs/dbraw/zinc/79/59/50/510795950.db2.gz QWQHCBXCJJALLB-UHFFFAOYSA-N 0 0 353.426 2.958 10 0 FFAERN CCn1cc([C@H]2CN(C(=O)Cc3c(C)nn(CC(C)C)c3C)CCO2)cn1 ZINC000191714741 510798104 /nfs/dbraw/zinc/79/81/04/510798104.db2.gz YLCGJFJGPPLTCZ-LJQANCHMSA-N 0 0 373.501 2.515 10 0 FFAERN CC[C@H](Sc1ccccc1)C(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000247011630 510799197 /nfs/dbraw/zinc/79/91/97/510799197.db2.gz WHHZPBCJJWMZGC-RYRKJORJSA-N 0 0 350.528 2.861 10 0 FFAERN CC(C)c1nc(C2(NC(=O)c3ccc(-n4ccnc4)nc3)CCCC2)no1 ZINC000175805963 510800163 /nfs/dbraw/zinc/80/01/63/510800163.db2.gz VQFOKWVJBJKVGA-UHFFFAOYSA-N 0 0 366.425 2.973 10 0 FFAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1cc(C)c(F)cc1F ZINC000175805220 510800270 /nfs/dbraw/zinc/80/02/70/510800270.db2.gz CCPJWVNMXULGTR-ZDUSSCGKSA-N 0 0 355.410 2.631 10 0 FFAERN CCn1cc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)CCO2)cn1 ZINC000191721154 510801037 /nfs/dbraw/zinc/80/10/37/510801037.db2.gz LXTBXBOCJPDCES-HFTRVMKXSA-N 0 0 361.392 2.885 10 0 FFAERN CCn1cc([C@@H]2CN(C(=O)[C@H](C)Cc3ccc(OC)cc3)CCO2)cn1 ZINC000191724038 510802245 /nfs/dbraw/zinc/80/22/45/510802245.db2.gz NDVVNFNLPLMVER-BEFAXECRSA-N 0 0 357.454 2.690 10 0 FFAERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(n3ccnc3)CC2)C1 ZINC000175816694 510805268 /nfs/dbraw/zinc/80/52/68/510805268.db2.gz SJBZRFORGQDOMX-GJZGRUSLSA-N 0 0 362.474 2.740 10 0 FFAERN CNC(=O)[C@H](NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1)C(C)C ZINC000178855071 510805792 /nfs/dbraw/zinc/80/57/92/510805792.db2.gz YRIFHBKSKRCTPE-GOSISDBHSA-N 0 0 366.421 2.633 10 0 FFAERN O=C(NC1CN(C(=O)c2csc(-c3ccc(F)cc3)n2)C1)C1CCC1 ZINC000188515175 510806077 /nfs/dbraw/zinc/80/60/77/510806077.db2.gz KGLGGTQEMVJEMW-UHFFFAOYSA-N 0 0 359.426 2.690 10 0 FFAERN Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3nccn3C)CC1)[C@H](C)C2 ZINC000182194124 510807576 /nfs/dbraw/zinc/80/75/76/510807576.db2.gz IMQUZSPHSADNOI-IIBYNOLFSA-N 0 0 366.509 2.990 10 0 FFAERN CC(=O)Nc1ccc(CNC(=O)N2CCC(Cc3nccn3C)CC2)cc1 ZINC000178859425 510808226 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2.916 10 0 FFAERN C[C@H]1CCC[C@H](C)N(C(=O)C(=O)Nc2cccc3c2ccn(C)c3=O)C1 ZINC000407963488 512976509 /nfs/dbraw/zinc/97/65/09/512976509.db2.gz DWSJAXBIQBSSJX-KBPBESRZSA-N 0 0 355.438 2.514 10 0 FFAERN Cc1nnc([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2C)[nH]1 ZINC000407974132 512977680 /nfs/dbraw/zinc/97/76/80/512977680.db2.gz LWFMMEBINOSBMG-ZDUSSCGKSA-N 0 0 354.863 2.991 10 0 FFAERN CCC(=O)N[C@H]1CCCN(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC000407993722 512981573 /nfs/dbraw/zinc/98/15/73/512981573.db2.gz SBIWIUHUPDVCRL-RYUDHWBXSA-N 0 0 350.488 2.790 10 0 FFAERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000408028216 512986318 /nfs/dbraw/zinc/98/63/18/512986318.db2.gz RDTICSNSFACBQU-IXDOHACOSA-N 0 0 371.474 2.647 10 0 FFAERN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1C ZINC000408026000 512986350 /nfs/dbraw/zinc/98/63/50/512986350.db2.gz FJHXIFDYKOOGNL-BZUAXINKSA-N 0 0 373.902 2.853 10 0 FFAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000408036467 512988729 /nfs/dbraw/zinc/98/87/29/512988729.db2.gz UFIWXECWKHGJFA-SECBINFHSA-N 0 0 351.237 2.801 10 0 FFAERN CC1(C)C[C@H](NC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)C(C)(C)O1 ZINC000408057467 512990248 /nfs/dbraw/zinc/99/02/48/512990248.db2.gz VHHDJDCEXFUEOJ-OAGGEKHMSA-N 0 0 350.434 2.989 10 0 FFAERN Cc1sc2nc(CN3CCC[C@](O)(C(F)(F)F)C3)nc(N)c2c1C ZINC000408088262 512996896 /nfs/dbraw/zinc/99/68/96/512996896.db2.gz IPNRXJXKBNWZOR-CQSZACIVSA-N 0 0 360.405 2.780 10 0 FFAERN Cc1nc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c(Br)s1 ZINC000408102137 512999581 /nfs/dbraw/zinc/99/95/81/512999581.db2.gz AMUUJTNBZAHMKV-JTQLQIEISA-N 0 0 355.261 2.925 10 0 FFAERN C[C@@H]1CN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC[C@@H]1O ZINC000408137258 513007873 /nfs/dbraw/zinc/00/78/73/513007873.db2.gz CZDMRKIBPDHQPM-RNCFNFMXSA-N 0 0 370.240 2.809 10 0 FFAERN O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000408186421 513018160 /nfs/dbraw/zinc/01/81/60/513018160.db2.gz HTSSHTRXMOKOCP-PGUXBMHVSA-N 0 0 350.390 2.931 10 0 FFAERN O=C(NC1CCS(=O)CC1)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000408200243 513020067 /nfs/dbraw/zinc/02/00/67/513020067.db2.gz BBCFSYPTIDDYBN-IKLBADNXSA-N 0 0 363.527 2.521 10 0 FFAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408246370 513030064 /nfs/dbraw/zinc/03/00/64/513030064.db2.gz JJBNKRZNJAWKIS-WWNBULGVSA-N 0 0 350.503 2.593 10 0 FFAERN Cc1c(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cnn1-c1ccc(Cl)cc1 ZINC000408246765 513030095 /nfs/dbraw/zinc/03/00/95/513030095.db2.gz LHAFQGIDDCUIFJ-LJQANCHMSA-N 0 0 372.856 2.576 10 0 FFAERN COc1ccc(C2(C(=O)N3CCC[C@]4(CNC(=O)C4)C3)CCCC2)cc1 ZINC000408247260 513030629 /nfs/dbraw/zinc/03/06/29/513030629.db2.gz NENIHXLLWRKCMK-FQEVSTJZSA-N 0 0 356.466 2.636 10 0 FFAERN O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408251680 513031151 /nfs/dbraw/zinc/03/11/51/513031151.db2.gz FJKBAHVMPXUMSR-LVCYWYKZSA-N 0 0 355.482 2.710 10 0 FFAERN O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408251679 513031204 /nfs/dbraw/zinc/03/12/04/513031204.db2.gz FJKBAHVMPXUMSR-DBXWQHBBSA-N 0 0 355.482 2.710 10 0 FFAERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000408251733 513031595 /nfs/dbraw/zinc/03/15/95/513031595.db2.gz GKZVBIKMCUVTJL-IGHZYHEGSA-N 0 0 350.484 2.575 10 0 FFAERN CN(C)c1ccc(Cl)cc1NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408259515 513033350 /nfs/dbraw/zinc/03/33/50/513033350.db2.gz MVFRKDRTRNELQE-KRWDZBQOSA-N 0 0 350.850 2.540 10 0 FFAERN CC(C)NC(=O)NC1(C(=O)N2CCO[C@@H]3CCCC[C@H]32)CCCCC1 ZINC000408285367 513038178 /nfs/dbraw/zinc/03/81/78/513038178.db2.gz GMEINUVMOLNNRZ-HZPDHXFCSA-N 0 0 351.491 2.567 10 0 FFAERN C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)[C@H]1CO ZINC000408296721 513039667 /nfs/dbraw/zinc/03/96/67/513039667.db2.gz BZOWGNVALINUPT-SCZZXKLOSA-N 0 0 356.246 2.914 10 0 FFAERN Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCc3n[nH]c(=O)cc3C2)cc1 ZINC000408313595 513042374 /nfs/dbraw/zinc/04/23/74/513042374.db2.gz KQSLSYFIFFMVNA-APWZRJJASA-N 0 0 353.422 2.543 10 0 FFAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000408389997 513056296 /nfs/dbraw/zinc/05/62/96/513056296.db2.gz QDXZMDQPPWRQDB-GFCCVEGCSA-N 0 0 372.899 2.796 10 0 FFAERN Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000408412946 513062644 /nfs/dbraw/zinc/06/26/44/513062644.db2.gz SWJKCQDZGAKBPB-MGPQQGTHSA-N 0 0 374.300 2.912 10 0 FFAERN CC(C)[C@@H]1CCCN(C(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)CC1 ZINC000408447022 513068921 /nfs/dbraw/zinc/06/89/21/513068921.db2.gz UPDPAVAMCCUIMT-MRXNPFEDSA-N 0 0 373.563 2.657 10 0 FFAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)Nc2cccc(-c3ncco3)c2C)C1 ZINC000562983563 517554445 /nfs/dbraw/zinc/55/44/45/517554445.db2.gz WZRVQLNOFUBGBJ-DOMZBBRYSA-N 0 0 368.397 2.762 10 0 FFAERN O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CCO[C@H](Cn2cccn2)C1 ZINC000527235497 517581289 /nfs/dbraw/zinc/58/12/89/517581289.db2.gz WNHAXITWCOZILO-FUHWJXTLSA-N 0 0 358.417 2.510 10 0 FFAERN COC(=O)c1ccc(I)c(N)c1OC(F)(F)F ZINC000575640660 518244037 /nfs/dbraw/zinc/24/40/37/518244037.db2.gz NVSQXORWQGRZKS-UHFFFAOYSA-N 0 0 361.057 2.559 10 0 FFAERN NS(=O)(=O)c1c(Br)c(OC(F)F)ccc1C(F)F ZINC000575680498 518247057 /nfs/dbraw/zinc/24/70/57/518247057.db2.gz OBUODECDYYYWFC-UHFFFAOYSA-N 0 0 352.103 2.636 10 0 FFAERN Cn1ncc2cc([C@H](N)C(=O)Nc3ccc([Si](C)(C)C)c(F)c3)ccc21 ZINC000584617963 518415278 /nfs/dbraw/zinc/41/52/78/518415278.db2.gz XJYSDGKKWMLPRY-SFHVURJKSA-N 0 0 370.504 2.896 10 0 FFAERN NC(=O)c1nn(-c2cccc(I)c2)c2ccccc12 ZINC000584617829 518416150 /nfs/dbraw/zinc/41/61/50/518416150.db2.gz MTMWIEMVKPBOPL-UHFFFAOYSA-N 0 0 363.158 2.729 10 0 FFAERN [NH3+][C@H](CC(=O)[O-])Cn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000584625831 518416897 /nfs/dbraw/zinc/41/68/97/518416897.db2.gz VSQILWJHLPJYGP-CYBMUJFWSA-N 0 0 373.800 2.588 10 0 FFAERN CCS(=O)(=O)C(F)(F)c1ccc(C(F)(F)S(=O)(=O)CC)cc1 ZINC000584657521 518419549 /nfs/dbraw/zinc/41/95/49/518419549.db2.gz WGAGTODSDZJMQC-UHFFFAOYSA-N 0 0 362.366 2.655 10 0 FFAERN CC(C)(C)C(=O)N1CCCN(C(=O)c2cc3ccccc3oc2=O)CC1 ZINC000066731412 534436141 /nfs/dbraw/zinc/43/61/41/534436141.db2.gz LWIZBTOSQUSXOX-UHFFFAOYSA-N 0 0 356.422 2.514 10 0 FFAERN CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]2O[C@H](c3ccccc3)O[C@@H]21 ZINC000616591151 520069834 /nfs/dbraw/zinc/06/98/34/520069834.db2.gz VGLOFWHLPMVSBF-CYMYHSCOSA-N 0 0 370.401 2.955 10 0 FFAERN O=S(=O)(c1ccccc1)N1CCO[C@@H](c2cccc3ccncc32)C1 ZINC000616603368 520076316 /nfs/dbraw/zinc/07/63/16/520076316.db2.gz NIZJNUZRUPMPJY-LJQANCHMSA-N 0 0 354.431 2.997 10 0 FFAERN O=S(=O)(c1ccccc1)N1CCOC[C@@H]1c1ccc2ccccc2n1 ZINC000616640887 520080486 /nfs/dbraw/zinc/08/04/86/520080486.db2.gz BRUZPQYYEINPII-LJQANCHMSA-N 0 0 354.431 2.997 10 0 FFAERN O=S(=O)(c1ccccc1)N1CCO[C@H](c2ccc3cccnc3c2)C1 ZINC000616643899 520081210 /nfs/dbraw/zinc/08/12/10/520081210.db2.gz HESRGWRTXCRJDK-IBGZPJMESA-N 0 0 354.431 2.997 10 0 FFAERN O=S(=O)(c1ccccc1)N1CCOC[C@@H]1c1ccc2cccnc2c1 ZINC000616641577 520081795 /nfs/dbraw/zinc/08/17/95/520081795.db2.gz MTNLUOIGBFZWGG-LJQANCHMSA-N 0 0 354.431 2.997 10 0 FFAERN O=S(=O)(c1ccccc1)N1c2ccccc2NC[C@H]1c1ccncn1 ZINC000616684485 520090900 /nfs/dbraw/zinc/09/09/00/520090900.db2.gz SWXABWWIKPIASM-SFHVURJKSA-N 0 0 352.419 2.839 10 0 FFAERN C[C@@H]1CN(C(=O)c2cccc(F)c2I)C[C@@H](C)O1 ZINC000611001570 520941511 /nfs/dbraw/zinc/94/15/11/520941511.db2.gz WNBCJDPMQFKCMY-RKDXNWHRSA-N 0 0 363.170 2.680 10 0 FFAERN CCCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@]23CCOc2ccccc23)C1 ZINC000607637674 521413289 /nfs/dbraw/zinc/41/32/89/521413289.db2.gz CRFIUAQGWBBXHJ-RADWXHQJSA-N 0 0 370.493 2.882 10 0 FFAERN C[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1nccn1C)c1ccc(F)cc1F ZINC000623099173 521755623 /nfs/dbraw/zinc/75/56/23/521755623.db2.gz DMXXQNWGBBBXAP-COLVAYQJSA-N 0 0 350.369 2.589 10 0 FFAERN O=C(N[C@@H]1CCO[C@H]1c1cccnc1)c1cc2c([nH]c1=O)CCCCC2 ZINC000623139619 521791178 /nfs/dbraw/zinc/79/11/78/521791178.db2.gz VBBUJJCEANJOPX-MSOLQXFVSA-N 0 0 353.422 2.711 10 0 FFAERN CCO[C@@]1(C(=O)Nc2ccc(F)c(Br)c2F)CCOC1 ZINC000620159988 522090689 /nfs/dbraw/zinc/09/06/89/522090689.db2.gz LGFGQRYUAGYNJS-ZDUSSCGKSA-N 0 0 350.159 2.861 10 0 FFAERN Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(N2CCCC2)c1 ZINC000623082372 523667912 /nfs/dbraw/zinc/66/79/12/523667912.db2.gz HJCBRVWYBLFIST-IAGOWNOFSA-N 0 0 355.442 2.672 10 0 FFAERN O=C(CCc1ccccn1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000275395336 526616400 /nfs/dbraw/zinc/61/64/00/526616400.db2.gz AUSFFTLOYBRFJX-GOSISDBHSA-N 0 0 366.465 2.689 10 0 FFAERN CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024556527 535534084 /nfs/dbraw/zinc/53/40/84/535534084.db2.gz VAFUZHMFZREAIG-CYBMUJFWSA-N 0 0 368.389 2.806 10 0 FFAERN CCc1ccc(N2CN(CCCOC)Cn3c(=O)c(C)c(C)nc32)cc1 ZINC000072441967 536185640 /nfs/dbraw/zinc/18/56/40/536185640.db2.gz LRWGEULUXQAOLB-UHFFFAOYSA-N 0 0 356.470 2.828 10 0 FFAERN CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@H]([NH3+])c1cc(F)c(C(=O)[O-])cc1O2 ZINC000725260544 570524652 /nfs/dbraw/zinc/52/46/52/570524652.db2.gz SBHUHQMAFSNPLB-FZKQIMNGSA-N 0 0 366.389 2.686 10 0 FFAERN Cc1cc(C(=O)[O-])cc2c1[C@@H](NC(=O)OC(C)(C)C)C[C@]1(CC[NH2+]C1)O2 ZINC000725260876 570525501 /nfs/dbraw/zinc/52/55/01/570525501.db2.gz YUQTXSOUHBUDMI-DJJJIMSYSA-N 0 0 362.426 2.774 10 0 FFAERN CCCn1c2ccccc2n(CN2CCO[C@@H](c3nccs3)C2)c1=O ZINC000152264342 728754741 /nfs/dbraw/zinc/75/47/41/728754741.db2.gz MIVMWBBNVUIHSD-MRXNPFEDSA-N 0 0 358.467 2.701 10 0 FFAERN CCC(CC)(CCO)CNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000152405666 728758052 /nfs/dbraw/zinc/75/80/52/728758052.db2.gz FTCAEHDNXCEGAG-HNNXBMFYSA-N 0 0 356.507 2.939 10 0 FFAERN Cc1noc([C@H](C)N2CCN(Cn3nc(C(C)(C)C)oc3=S)CC2)n1 ZINC000152634137 728762503 /nfs/dbraw/zinc/76/25/03/728762503.db2.gz COEVDMKRCKSIMK-NSHDSACASA-N 0 0 366.491 2.531 10 0 FFAERN S=c1n(-c2ccccc2)cnn1CN1CCC(Cn2cccn2)CC1 ZINC000152758325 728765416 /nfs/dbraw/zinc/76/54/16/728765416.db2.gz HOPMLIORVCSYLQ-UHFFFAOYSA-N 0 0 354.483 2.969 10 0 FFAERN Cc1nn(CN2CCC(Nc3cccnn3)CC2)c(C)c1Br ZINC000156481354 728852353 /nfs/dbraw/zinc/85/23/53/728852353.db2.gz RQSLNPXAZDMTLB-UHFFFAOYSA-N 0 0 365.279 2.586 10 0 FFAERN C[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccccc1Br ZINC000156963181 728863004 /nfs/dbraw/zinc/86/30/04/728863004.db2.gz DBTKSGDILZFXGR-RYUDHWBXSA-N 0 0 362.289 2.999 10 0 FFAERN CCOCCN1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C[C@@H]1C ZINC000160882389 728926470 /nfs/dbraw/zinc/92/64/70/728926470.db2.gz LNWFHLYMGSOHBX-NSHDSACASA-N 0 0 360.285 2.758 10 0 FFAERN O=C(Cc1cc(F)c(F)cc1F)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899078418 735444042 /nfs/dbraw/zinc/44/40/42/735444042.db2.gz BMNCBYDFCDMXAK-LBPRGKRZSA-N 0 0 350.344 2.589 10 0 FFAERN CN1C(=O)N(CC(=O)NCc2ccccc2Cl)C(=O)C12CCCCC2 ZINC000006006313 727784451 /nfs/dbraw/zinc/78/44/51/727784451.db2.gz BCDFIKJEIUNDSY-UHFFFAOYSA-N 0 0 363.845 2.553 10 0 FFAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)o1 ZINC000033014674 727926971 /nfs/dbraw/zinc/92/69/71/727926971.db2.gz AUSWWXJLSGTBDJ-LBPRGKRZSA-N 0 0 350.440 2.802 10 0 FFAERN CCNC(=O)c1cccc(NC(=O)CSC[C@@H](O)c2ccccc2)c1 ZINC000069308983 728197666 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C[C@]1(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CCCN1C(=O)c1ccccc1 ZINC000121850637 508431592 /nfs/dbraw/zinc/43/15/92/508431592.db2.gz OMEPNLNYUHSPNP-QIJUGHKUSA-N 0 0 370.493 2.835 10 0 FFAERN Cc1cccc(-c2nc(CC(=O)NC[C@H]3CN(C4CC4)CCO3)cs2)c1 ZINC000127338370 508434022 /nfs/dbraw/zinc/43/40/22/508434022.db2.gz AXWKRFGYEIDNPR-SFHVURJKSA-N 0 0 371.506 2.640 10 0 FFAERN Cn1cnnc1-c1cccc(NC(=O)/C=C/c2ccc3c(c2)OCCO3)c1 ZINC000121859792 508434539 /nfs/dbraw/zinc/43/45/39/508434539.db2.gz DMNWRVJAJPUIMJ-SOFGYWHQSA-N 0 0 362.389 2.905 10 0 FFAERN CC1(C)C[C@@H](NC(=O)Cn2nnc(-c3ccccc3)n2)c2ccccc2O1 ZINC000121867514 508435867 /nfs/dbraw/zinc/43/58/67/508435867.db2.gz ASJHCLPWLZFLPW-MRXNPFEDSA-N 0 0 363.421 2.759 10 0 FFAERN O=C(NCCc1nc2c(s1)CCCC2)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000133699571 508436416 /nfs/dbraw/zinc/43/64/16/508436416.db2.gz GRKQJUOBVXLRBM-IFXJQAMLSA-N 0 0 363.527 2.901 10 0 FFAERN C[C@H](NC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O)c1ccncc1 ZINC000115784657 508437383 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/nfs/dbraw/zinc/47/04/59/508470459.db2.gz CXQXUFQQYPCNHO-UHFFFAOYSA-N 0 0 369.425 2.645 10 0 FFAERN CCc1nnc([C@H]2CN(C(=O)[C@H](OC(C)(C)C)c3ccccc3)CCO2)[nH]1 ZINC000156739722 508470848 /nfs/dbraw/zinc/47/08/48/508470848.db2.gz PPLPRVQRMANSME-NVXWUHKLSA-N 0 0 372.469 2.823 10 0 FFAERN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H](C)C[S@](C)=O)cc1Cl ZINC000133937075 508470956 /nfs/dbraw/zinc/47/09/56/508470956.db2.gz GCVATFJSRCDFAQ-LILOVNGRSA-N 0 0 358.312 2.689 10 0 FFAERN Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H](C)C[S@](C)=O)cc1Cl ZINC000133936860 508471395 /nfs/dbraw/zinc/47/13/95/508471395.db2.gz GCVATFJSRCDFAQ-WPCRTTGESA-N 0 0 358.312 2.689 10 0 FFAERN C[C@H](NC(=O)N1CCN(Cc2ccon2)CC1)c1cccc(F)c1F ZINC000133948307 508473161 /nfs/dbraw/zinc/47/31/61/508473161.db2.gz MXQKGWIEDGGYFQ-LBPRGKRZSA-N 0 0 350.369 2.541 10 0 FFAERN CSc1ncc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)n1-c1ccccc1 ZINC000116119450 508474459 /nfs/dbraw/zinc/47/44/59/508474459.db2.gz WPMDRRLFHPHJOV-AWEZNQCLSA-N 0 0 367.478 2.957 10 0 FFAERN CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116124066 508474523 /nfs/dbraw/zinc/47/45/23/508474523.db2.gz IMFSGBKCFCXEJL-SJLPKXTDSA-N 0 0 369.465 2.725 10 0 FFAERN Cn1cc([C@H]2CCN(C(=O)c3cccc(OC[C@@H]4CCCO4)c3)C2)cn1 ZINC000116122742 508474639 /nfs/dbraw/zinc/47/46/39/508474639.db2.gz PXLVPINSWGERFE-LPHOPBHVSA-N 0 0 355.438 2.608 10 0 FFAERN CSc1ncc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)n1-c1ccccc1 ZINC000116119446 508474673 /nfs/dbraw/zinc/47/46/73/508474673.db2.gz WPMDRRLFHPHJOV-CQSZACIVSA-N 0 0 367.478 2.957 10 0 FFAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000127612519 508476603 /nfs/dbraw/zinc/47/66/03/508476603.db2.gz CIXLMWYNNVTRDB-FVQBIDKESA-N 0 0 368.399 2.788 10 0 FFAERN CC(=O)N[C@H]1CCCN(C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000127654112 508482859 /nfs/dbraw/zinc/48/28/59/508482859.db2.gz XCFFDNFNFHIDNZ-AWEZNQCLSA-N 0 0 355.891 2.742 10 0 FFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1nnc(C(C)(C)C)s1)CC2 ZINC000152633626 508483603 /nfs/dbraw/zinc/48/36/03/508483603.db2.gz WDLWODYTILEZGL-JTQLQIEISA-N 0 0 363.491 2.687 10 0 FFAERN Cn1cc(CN2CCCN(C(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)CC2)cn1 ZINC000116193658 508484981 /nfs/dbraw/zinc/48/49/81/508484981.db2.gz GEXOZRYUERAFNW-HOTGVXAUSA-N 0 0 374.435 2.536 10 0 FFAERN Cc1ccc([C@H]2CN(C(=O)Cn3ccc(=O)c4ccccc43)CCO2)o1 ZINC000134045406 508485361 /nfs/dbraw/zinc/48/53/61/508485361.db2.gz NRZHUTVJCTUMDX-LJQANCHMSA-N 0 0 352.390 2.503 10 0 FFAERN CC(C)NC(=O)Nc1cccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116227793 508489236 /nfs/dbraw/zinc/48/92/36/508489236.db2.gz VQARXHKMIJSLFM-HNNXBMFYSA-N 0 0 355.442 2.580 10 0 FFAERN Cc1ccc2nc(CSCC(=O)N3CC[C@H](c4cnn(C)c4)C3)cn2c1 ZINC000116229578 508490023 /nfs/dbraw/zinc/49/00/23/508490023.db2.gz DTJAYYUNJBZUJK-HNNXBMFYSA-N 0 0 369.494 2.626 10 0 FFAERN C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)nc1)c1nnc2n1CCCC2 ZINC000134093425 508491908 /nfs/dbraw/zinc/49/19/08/508491908.db2.gz UGLFBLJKMRYGBB-OAHLLOKOSA-N 0 0 368.485 2.737 10 0 FFAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)NCCCNC(=O)C(C)C)C2)cc1 ZINC000152687863 508494485 /nfs/dbraw/zinc/49/44/85/508494485.db2.gz OCLIEYYVPTWLIC-WBVHZDCISA-N 0 0 361.486 2.745 10 0 FFAERN COc1cc2nc(CN3CCC[C@@H]3c3ccco3)[nH]c(=O)c2cc1OC ZINC000116289300 508494879 /nfs/dbraw/zinc/49/48/79/508494879.db2.gz TXJDJNLVFVREIW-CQSZACIVSA-N 0 0 355.394 2.870 10 0 FFAERN Cc1ccc(NC(=O)CN(C)C(=O)CN2CCC[C@@H]2c2ccco2)cc1 ZINC000116291547 508495911 /nfs/dbraw/zinc/49/59/11/508495911.db2.gz YYGDVZFLDAHUSS-QGZVFWFLSA-N 0 0 355.438 2.822 10 0 FFAERN CSc1nsc(NC(=O)NC2CCN(c3ccc(C)cn3)CC2)n1 ZINC000156921060 508497060 /nfs/dbraw/zinc/49/70/60/508497060.db2.gz YFODRWMZYDUPJY-UHFFFAOYSA-N 0 0 364.500 2.754 10 0 FFAERN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116317046 508498342 /nfs/dbraw/zinc/49/83/42/508498342.db2.gz CPRVABAQKGVYIQ-OLZOCXBDSA-N 0 0 362.861 2.899 10 0 FFAERN COc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000134157718 508500850 /nfs/dbraw/zinc/50/08/50/508500850.db2.gz LKBRROZRNMMSGD-GFCCVEGCSA-N 0 0 366.425 2.504 10 0 FFAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cn1 ZINC000116371454 508504962 /nfs/dbraw/zinc/50/49/62/508504962.db2.gz XJTWFMJNDMOWCT-JTQLQIEISA-N 0 0 360.266 2.905 10 0 FFAERN COc1ccc([C@H](C)NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1OC ZINC000116419835 508510608 /nfs/dbraw/zinc/51/06/08/508510608.db2.gz FPCLXDXVFHIAIA-DZGCQCFKSA-N 0 0 358.442 2.697 10 0 FFAERN CN(C(=O)c1cc(F)c(F)c(F)c1F)[C@H]1CCCN(c2cccnn2)C1 ZINC000122292047 508513507 /nfs/dbraw/zinc/51/35/07/508513507.db2.gz QPFBLEDIEUJGPD-JTQLQIEISA-N 0 0 368.334 2.774 10 0 FFAERN CC(C)c1nc2c(n1C)CCN(C(=O)CCc1nc(-c3ccoc3)no1)C2 ZINC000122301341 508515139 /nfs/dbraw/zinc/51/51/39/508515139.db2.gz QNAURAWCNMMQOE-UHFFFAOYSA-N 0 0 369.425 2.704 10 0 FFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(C)(C)c1cccc(OC)c1 ZINC000122309154 508515869 /nfs/dbraw/zinc/51/58/69/508515869.db2.gz GXHWLQXWGOIUJM-INIZCTEOSA-N 0 0 371.485 2.961 10 0 FFAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC000134295928 508517651 /nfs/dbraw/zinc/51/76/51/508517651.db2.gz DHULQKZEYRKHBU-WFASDCNBSA-N 0 0 372.450 2.722 10 0 FFAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000134324481 508520640 /nfs/dbraw/zinc/52/06/40/508520640.db2.gz MXALNSVUFANBSO-CRAIPNDOSA-N 0 0 371.456 2.953 10 0 FFAERN CC(C)c1cccc(OCC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1 ZINC000134342344 508522500 /nfs/dbraw/zinc/52/25/00/508522500.db2.gz XECNHHOAXNKINU-XLIONFOSSA-N 0 0 371.481 2.895 10 0 FFAERN CCCOc1cccc(C(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)c1 ZINC000134349075 508523257 /nfs/dbraw/zinc/52/32/57/508523257.db2.gz OCMOMDSQBOPQNG-WMZOPIPTSA-N 0 0 357.454 2.795 10 0 FFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(C)s2)C1 ZINC000157108962 508523494 /nfs/dbraw/zinc/52/34/94/508523494.db2.gz NAXYQWFXIBCZQY-CQSZACIVSA-N 0 0 350.484 2.927 10 0 FFAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000134352577 508523668 /nfs/dbraw/zinc/52/36/68/508523668.db2.gz DBWZAGFPYFDCPR-UKRRQHHQSA-N 0 0 365.380 2.607 10 0 FFAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000157111422 508524450 /nfs/dbraw/zinc/52/44/50/508524450.db2.gz SQKGTLVAAMUIRN-BXWFABGCSA-N 0 0 373.497 2.996 10 0 FFAERN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000134373693 508525337 /nfs/dbraw/zinc/52/53/37/508525337.db2.gz YVDDXYLDCVLKNS-LRDDRELGSA-N 0 0 363.845 2.668 10 0 FFAERN COCCOc1ccccc1NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000152877249 508526061 /nfs/dbraw/zinc/52/60/61/508526061.db2.gz GFAIROZYKLNQOM-UHFFFAOYSA-N 0 0 358.442 2.857 10 0 FFAERN CCS[C@@H](C)c1noc(CN2CCCN(c3ccc(C)nn3)CC2)n1 ZINC000127980954 508530837 /nfs/dbraw/zinc/53/08/37/508530837.db2.gz RNPDOLPRWSUFOJ-AWEZNQCLSA-N 0 0 362.503 2.694 10 0 FFAERN Cc1cccc(C)c1OC[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000152935980 508532675 /nfs/dbraw/zinc/53/26/75/508532675.db2.gz WTUSTCQQYSEDKR-ZWKOTPCHSA-N 0 0 352.434 2.676 10 0 FFAERN COc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)cc1OC ZINC000116576071 508532759 /nfs/dbraw/zinc/53/27/59/508532759.db2.gz LMDHKFDDKWZUIZ-CYBMUJFWSA-N 0 0 362.357 2.738 10 0 FFAERN CCc1noc([C@@H](C)N2CCN(C(=O)N[C@@H]3CCCCC3(C)C)CC2)n1 ZINC000157174426 508532753 /nfs/dbraw/zinc/53/27/53/508532753.db2.gz RRPZTUZQLFHAKV-HUUCEWRRSA-N 0 0 363.506 2.989 10 0 FFAERN CN1C(=O)CCc2cc(C(=O)N3CCC[C@@H]3C[C@H](O)c3ccco3)ccc21 ZINC000128052939 508540632 /nfs/dbraw/zinc/54/06/32/508540632.db2.gz ABAWMHWNGPCWHU-AEFFLSMTSA-N 0 0 368.433 2.917 10 0 FFAERN O=S(=O)(c1ccc(Br)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000122476973 508541422 /nfs/dbraw/zinc/54/14/22/508541422.db2.gz SORKSQXDZFWNGI-UHFFFAOYSA-N 0 0 370.272 2.741 10 0 FFAERN C[C@@H](NC(=O)NCc1nc2ccccc2s1)c1nnc2n1CCCC2 ZINC000157241479 508541900 /nfs/dbraw/zinc/54/19/00/508541900.db2.gz OOBFOLOXPBGSJD-LLVKDONJSA-N 0 0 356.455 2.785 10 0 FFAERN COC(=O)Nc1cccc(C(=O)NC2CCN(c3cccc(C)n3)CC2)c1 ZINC000116669049 508544547 /nfs/dbraw/zinc/54/45/47/508544547.db2.gz FZNGZXYSUJMDTD-UHFFFAOYSA-N 0 0 368.437 2.967 10 0 FFAERN C[C@H]1CC[C@@H](NC(=O)N2CCN(c3cnn(C)c3)CC2)c2ccccc21 ZINC000153090852 508547083 /nfs/dbraw/zinc/54/70/83/508547083.db2.gz GNTGMKVJSMTEEG-HNAYVOBHSA-N 0 0 353.470 2.890 10 0 FFAERN COC(=O)[C@@H]1CCCN(C(=O)NCc2ccccc2OCC(F)(F)F)C1 ZINC000157294050 508548426 /nfs/dbraw/zinc/54/84/26/508548426.db2.gz COLSXUKFWSUZHS-CYBMUJFWSA-N 0 0 374.359 2.722 10 0 FFAERN Cc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000134591781 508549485 /nfs/dbraw/zinc/54/94/85/508549485.db2.gz PLUURKGTTBIHJP-PBHICJAKSA-N 0 0 360.360 2.546 10 0 FFAERN CC[C@H](C(=O)N1CCC(c2ccnn2CCO)CC1)c1ccc(F)cc1 ZINC000128114907 508549920 /nfs/dbraw/zinc/54/99/20/508549920.db2.gz PXYKSFCYRMYVAX-SFHVURJKSA-N 0 0 359.445 2.914 10 0 FFAERN O=C(COc1ccc(Br)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128141506 508553276 /nfs/dbraw/zinc/55/32/76/508553276.db2.gz GNBJSTLCZPFTKL-DYVFJYSZSA-N 0 0 368.271 2.982 10 0 FFAERN C[C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)O1 ZINC000128161659 508556388 /nfs/dbraw/zinc/55/63/88/508556388.db2.gz NXYJOCWMZBUNLD-XHDPSFHLSA-N 0 0 371.264 2.845 10 0 FFAERN CCOc1cc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)ccc1OC ZINC000122577012 508556645 /nfs/dbraw/zinc/55/66/45/508556645.db2.gz IXGKBHFQIHPCKW-GOSISDBHSA-N 0 0 359.470 2.808 10 0 FFAERN C[C@H](NC(=O)NC[C@@]1(CCO)CCOC1)c1cccc(Br)c1 ZINC000128172679 508558153 /nfs/dbraw/zinc/55/81/53/508558153.db2.gz AFLCLCFQXOJUGU-BLLLJJGKSA-N 0 0 371.275 2.598 10 0 FFAERN COc1ccc(CCC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1F ZINC000116777357 508559870 /nfs/dbraw/zinc/55/98/70/508559870.db2.gz NCXYTIYRZAJDBU-QGZVFWFLSA-N 0 0 374.460 2.914 10 0 FFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)n1 ZINC000116780633 508560666 /nfs/dbraw/zinc/56/06/66/508560666.db2.gz RRZJOONFUFZCAV-KRWDZBQOSA-N 0 0 364.453 2.633 10 0 FFAERN CC(C)[C@@H](O)CC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000157444704 508566855 /nfs/dbraw/zinc/56/68/55/508566855.db2.gz XPBFROBSLZCGAG-GJZGRUSLSA-N 0 0 356.260 2.756 10 0 FFAERN CCOCCN1CCN(S(=O)(=O)c2ccc(Cl)s2)C[C@H]1CC ZINC000116898983 508570962 /nfs/dbraw/zinc/57/09/62/508570962.db2.gz OHKBCAOWVCVGJZ-GFCCVEGCSA-N 0 0 366.936 2.523 10 0 FFAERN CCc1ccc([C@H]2CCCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)o1 ZINC000128295100 508574763 /nfs/dbraw/zinc/57/47/63/508574763.db2.gz LFLPEXIVYMMLSM-MRXNPFEDSA-N 0 0 368.499 2.567 10 0 FFAERN CCO[C@@H]1C[C@H](N(C)C(=O)NCCCO[C@@H]2CCOC2)C12CCCC2 ZINC000128309559 508576102 /nfs/dbraw/zinc/57/61/02/508576102.db2.gz QYKAFTWILUDPHZ-IXDOHACOSA-N 0 0 354.491 2.561 10 0 FFAERN NC(=O)C1CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000157510335 508576525 /nfs/dbraw/zinc/57/65/25/508576525.db2.gz GRMRLPHTEYYGCT-MRXNPFEDSA-N 0 0 357.454 2.730 10 0 FFAERN O=C(Cc1ccc(O)cc1Cl)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000157517936 508577065 /nfs/dbraw/zinc/57/70/65/508577065.db2.gz ZRNGRFYOEJRCQH-MRXNPFEDSA-N 0 0 353.846 2.775 10 0 FFAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000128328632 508578357 /nfs/dbraw/zinc/57/83/57/508578357.db2.gz DQNIWNREGVRKDB-GFCCVEGCSA-N 0 0 367.361 2.882 10 0 FFAERN Cn1cc([C@H]2CCN(Cc3cnc4ccc(Br)cn34)C2)cn1 ZINC000128369665 508583285 /nfs/dbraw/zinc/58/32/85/508583285.db2.gz ZVRRTXQAHTUFLW-LBPRGKRZSA-N 0 0 360.259 2.820 10 0 FFAERN CCOCCN1CCN(C(=O)c2cc(C(C)C)nc3onc(C)c32)C[C@H]1C ZINC000117277662 508587522 /nfs/dbraw/zinc/58/75/22/508587522.db2.gz UZJZLPVRDQFXMG-CQSZACIVSA-N 0 0 374.485 2.837 10 0 FFAERN CCOCCN1CCN(C(=O)c2cc(C(C)C)nc3onc(C)c32)C[C@@H]1C ZINC000117277660 508587531 /nfs/dbraw/zinc/58/75/31/508587531.db2.gz UZJZLPVRDQFXMG-AWEZNQCLSA-N 0 0 374.485 2.837 10 0 FFAERN CCOCCN1CCN(C(=O)c2csc(-c3ccc(C)o3)n2)C[C@H]1C ZINC000117283359 508588460 /nfs/dbraw/zinc/58/84/60/508588460.db2.gz KECIJQOBRYKMDE-CYBMUJFWSA-N 0 0 363.483 2.894 10 0 FFAERN CCn1ccnc1C[S@@](=O)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000153489758 508588483 /nfs/dbraw/zinc/58/84/83/508588483.db2.gz JUPVIYGYVZHHTL-XMMPIXPASA-N 0 0 350.394 2.816 10 0 FFAERN CC[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)CCN1CCOC ZINC000117301386 508590301 /nfs/dbraw/zinc/59/03/01/508590301.db2.gz JVGKRHBFIITEFI-CQSZACIVSA-N 0 0 360.376 2.768 10 0 FFAERN CC[C@@H]1CN(C(=O)c2ccc(-c3ccco3)nc2C)CCN1CCOC ZINC000117300069 508590732 /nfs/dbraw/zinc/59/07/32/508590732.db2.gz DPGNAWCQGLZHAE-MRXNPFEDSA-N 0 0 357.454 2.833 10 0 FFAERN CC[C@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)nc2)CCN1CCOC ZINC000117299210 508590785 /nfs/dbraw/zinc/59/07/85/508590785.db2.gz KLAKXWXIQITWCS-IBGZPJMESA-N 0 0 374.529 2.501 10 0 FFAERN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)CN1CCOCC1 ZINC000157640188 508591156 /nfs/dbraw/zinc/59/11/56/508591156.db2.gz GKZSWDAHZUBMMB-STQMWFEESA-N 0 0 357.857 2.808 10 0 FFAERN CC[C@H]1CN(C(=O)c2cc3ccc(F)cc3nc2C)CCN1CCOC ZINC000117306427 508591961 /nfs/dbraw/zinc/59/19/61/508591961.db2.gz QLVAELWNQCAHJE-KRWDZBQOSA-N 0 0 359.445 2.865 10 0 FFAERN Cc1cccc2nc(CNC(=O)[C@@H](C)NC(=O)Nc3ccccc3)n(C)c21 ZINC000157678299 508596238 /nfs/dbraw/zinc/59/62/38/508596238.db2.gz IQAJNGASWWHKFZ-CQSZACIVSA-N 0 0 365.437 2.708 10 0 FFAERN CCC[C@H](C)N1C[C@H](C(=O)NC2CCN(c3ccc(C)cn3)CC2)CC1=O ZINC000157686801 508596814 /nfs/dbraw/zinc/59/68/14/508596814.db2.gz LSFAOUHIHMKKRK-DLBZAZTESA-N 0 0 372.513 2.512 10 0 FFAERN CCCCCc1nnc(NC(=O)N2CCN(CCOCC)[C@H](C)C2)s1 ZINC000117437193 508597993 /nfs/dbraw/zinc/59/79/93/508597993.db2.gz CEFICPHLJFUZAB-CQSZACIVSA-N 0 0 369.535 2.845 10 0 FFAERN C[C@@H](NC(=O)CSc1ccc(F)c(F)c1)c1nnc2n1CCCC2 ZINC000135397765 508598427 /nfs/dbraw/zinc/59/84/27/508598427.db2.gz CJQJJEGKFZNGIP-SNVBAGLBSA-N 0 0 352.410 2.862 10 0 FFAERN CCOCCN1CCN(C(=O)Nc2ccc3nc(OC)ccc3c2)C[C@@H]1C ZINC000117453875 508599326 /nfs/dbraw/zinc/59/93/26/508599326.db2.gz SJAWQFCHQZAMIB-HNNXBMFYSA-N 0 0 372.469 2.818 10 0 FFAERN CC[C@H]1CN(C(=O)Nc2ccn(Cc3ccccc3)n2)CCN1CCOC ZINC000117446310 508599557 /nfs/dbraw/zinc/59/95/57/508599557.db2.gz OYAOTSAPXKQIQQ-SFHVURJKSA-N 0 0 371.485 2.506 10 0 FFAERN CCCC(O)(CCC)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000135418123 508601276 /nfs/dbraw/zinc/60/12/76/508601276.db2.gz XQLQUASCCWFGQK-SJLPKXTDSA-N 0 0 364.461 2.793 10 0 FFAERN CCc1nccn1[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C)c2)C1 ZINC000128504870 508602625 /nfs/dbraw/zinc/60/26/25/508602625.db2.gz JRRNYORFXDQSBE-AWEZNQCLSA-N 0 0 351.447 2.919 10 0 FFAERN Cc1cc(-n2c(C)cc(C(=O)N[C@H](C)c3nnc4n3CCCC4)c2C)no1 ZINC000135427801 508602717 /nfs/dbraw/zinc/60/27/17/508602717.db2.gz PUESTUXVYWSINY-CYBMUJFWSA-N 0 0 368.441 2.809 10 0 FFAERN CS[C@@H]1CCC[C@@H](NC(=O)N2CCN(Cc3cnc(C)s3)CC2)C1 ZINC000117507727 508602779 /nfs/dbraw/zinc/60/27/79/508602779.db2.gz RSQPXSLYYABWPM-HUUCEWRRSA-N 0 0 368.572 2.953 10 0 FFAERN COc1cc(OC)cc(C(=O)NC2CCN(c3ccc(C)cn3)CC2)c1 ZINC000157774727 508609981 /nfs/dbraw/zinc/60/99/81/508609981.db2.gz DXEZOYVGNJOMNF-UHFFFAOYSA-N 0 0 355.438 2.806 10 0 FFAERN COC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000117709496 508613437 /nfs/dbraw/zinc/61/34/37/508613437.db2.gz MUQQHSVAWHEXJY-AWEZNQCLSA-N 0 0 368.499 2.861 10 0 FFAERN CCOc1ccccc1C(F)(F)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000153649531 508616471 /nfs/dbraw/zinc/61/64/71/508616471.db2.gz YUOOCBOHYBKDBD-CYBMUJFWSA-N 0 0 350.369 2.728 10 0 FFAERN Cc1cnn(CCNC(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)c1 ZINC000117810111 508619578 /nfs/dbraw/zinc/61/95/78/508619578.db2.gz YOWZVPQECFSPET-UHFFFAOYSA-N 0 0 367.428 2.743 10 0 FFAERN O=C(Nc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123009018 508621667 /nfs/dbraw/zinc/62/16/67/508621667.db2.gz BZFBWZKJDVFTNO-DYVFJYSZSA-N 0 0 370.371 2.798 10 0 FFAERN Cc1cnn(CCNS(=O)(=O)c2cc(C)c(Br)cc2C)c1 ZINC000117927145 508624128 /nfs/dbraw/zinc/62/41/28/508624128.db2.gz DPEGEVQLXKXQRR-UHFFFAOYSA-N 0 0 372.288 2.549 10 0 FFAERN Cc1cnn(CCNC(=O)N[C@@H]2CCc3c2cccc3Br)c1 ZINC000118070765 508630482 /nfs/dbraw/zinc/63/04/82/508630482.db2.gz MKCOIDMMPCRPFG-OAHLLOKOSA-N 0 0 363.259 2.941 10 0 FFAERN CCOC(=O)c1cnn2c1nccc2C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000153713658 508632799 /nfs/dbraw/zinc/63/27/99/508632799.db2.gz UINZEUHOLFEGMB-LBPRGKRZSA-N 0 0 370.384 2.845 10 0 FFAERN CC(C)(C(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccc2c(c1)OCCO2 ZINC000123083223 508632930 /nfs/dbraw/zinc/63/29/30/508632930.db2.gz CPPINMAORYCJMO-KRWDZBQOSA-N 0 0 368.433 2.810 10 0 FFAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000118132796 508637298 /nfs/dbraw/zinc/63/72/98/508637298.db2.gz KJBVYMJWZYAUJX-UHFFFAOYSA-N 0 0 362.433 2.537 10 0 FFAERN CC(C)c1nc([C@H]2CCCN2C(=O)c2ncn(-c3ccccc3)n2)no1 ZINC000157962222 508638971 /nfs/dbraw/zinc/63/89/71/508638971.db2.gz HTATVJSPNWCZIT-CQSZACIVSA-N 0 0 352.398 2.751 10 0 FFAERN O=C(Nc1cc(F)cc(Cl)c1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123129634 508641198 /nfs/dbraw/zinc/64/11/98/508641198.db2.gz OYNLBKPWLFRJQO-APPDUMDISA-N 0 0 354.809 2.571 10 0 FFAERN Cc1c(C(=O)N2CC[C@H](Oc3cccnc3)C2)nnn1-c1ccc(C)cc1 ZINC000135780121 508648349 /nfs/dbraw/zinc/64/83/49/508648349.db2.gz WLIRPGXWUDMZAG-SFHVURJKSA-N 0 0 363.421 2.573 10 0 FFAERN Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000123275967 508661681 /nfs/dbraw/zinc/66/16/81/508661681.db2.gz NQBWZIWQMHBROC-DLBZAZTESA-N 0 0 372.538 2.855 10 0 FFAERN O=C(Nc1cccc(Cl)c1F)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123288640 508664636 /nfs/dbraw/zinc/66/46/36/508664636.db2.gz WNSOVKJXBVQADY-APPDUMDISA-N 0 0 354.809 2.571 10 0 FFAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@H](C)C1CCOCC1 ZINC000136024041 508666021 /nfs/dbraw/zinc/66/60/21/508666021.db2.gz ZINYNRUSWNNTAL-SJKOYZFVSA-N 0 0 368.424 2.651 10 0 FFAERN COc1ccc(NC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)cc1F ZINC000118804696 508676072 /nfs/dbraw/zinc/67/60/72/508676072.db2.gz PRIUNEKKLJQVHF-GOSISDBHSA-N 0 0 373.428 2.717 10 0 FFAERN COc1cccc(-c2cc(C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)[nH]n2)c1 ZINC000123372879 508677238 /nfs/dbraw/zinc/67/72/38/508677238.db2.gz ZXOAKGVRXGXKTE-LBPRGKRZSA-N 0 0 359.426 2.888 10 0 FFAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1nc(C2CC2)cs1 ZINC000123425724 508685160 /nfs/dbraw/zinc/68/51/60/508685160.db2.gz GAIHXTQELBTIPQ-AWEZNQCLSA-N 0 0 350.488 2.563 10 0 FFAERN Cc1cc(I)ccc1NC(=O)N[C@@H]1CCO[C@@H]1C 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CCc1noc([C@H](C)N2CCN(CCC(=O)c3ccc(F)cc3)CC2)n1 ZINC000122017285 508467738 /nfs/dbraw/zinc/46/77/38/508467738.db2.gz SEFLYYHMBDQWQC-AWEZNQCLSA-N 0 0 360.433 2.723 10 0 FFAERN O=C(Nc1ccc(S(=O)(=O)CCO)cc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000122018440 508468366 /nfs/dbraw/zinc/46/83/66/508468366.db2.gz COQOUKCLCDPWRK-IRXDYDNUSA-N 0 0 351.468 2.608 10 0 FFAERN CN(c1ccc(C(=O)Nc2ccccc2)nn1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000156735405 508470000 /nfs/dbraw/zinc/47/00/00/508470000.db2.gz ICWKXMRYVPGJAV-OLMNPRSZSA-N 0 0 352.438 2.979 10 0 FFAERN Cn1cc([C@@H]2CCN(C(=O)NCc3nc(C(F)(F)F)cs3)C2)cn1 ZINC000127572938 508470451 /nfs/dbraw/zinc/47/04/51/508470451.db2.gz UCZOGCRJNXOLNI-SECBINFHSA-N 0 0 359.377 2.595 10 0 FFAERN CC(C)(CNC(=O)N[C@H]1CCc2ncnn2C1)Cc1cccc(Cl)c1 ZINC000122032150 508470785 /nfs/dbraw/zinc/47/07/85/508470785.db2.gz KCQMFVJAECPEFH-HNNXBMFYSA-N 0 0 361.877 2.814 10 0 FFAERN C[C@@H](NC(=O)NC[C@]1(CCO)CCOC1)c1ccccc1Br ZINC000127590281 508473026 /nfs/dbraw/zinc/47/30/26/508473026.db2.gz GWARGUDLRCKJMR-WBMJQRKESA-N 0 0 371.275 2.598 10 0 FFAERN COc1ccc(CCC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cc1F ZINC000122055651 508473587 /nfs/dbraw/zinc/47/35/87/508473587.db2.gz XFSXFKBILQFJEZ-MRXNPFEDSA-N 0 0 372.444 2.684 10 0 FFAERN Cn1cc([C@H]2CCN(C(=O)COc3cccc(Br)c3)C2)cn1 ZINC000116114542 508474139 /nfs/dbraw/zinc/47/41/39/508474139.db2.gz SREXQXIXIWGXRC-LBPRGKRZSA-N 0 0 364.243 2.578 10 0 FFAERN CC(=O)N[C@H](CC(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccc(Cl)cc1 ZINC000116115709 508474244 /nfs/dbraw/zinc/47/42/44/508474244.db2.gz ULTLQVUMWOYCJB-MAUKXSAKSA-N 0 0 374.872 2.657 10 0 FFAERN Cn1cc([C@H]2CCN(C(=O)c3cccc(OC[C@H]4CCCO4)c3)C2)cn1 ZINC000116122747 508474835 /nfs/dbraw/zinc/47/48/35/508474835.db2.gz PXLVPINSWGERFE-QFBILLFUSA-N 0 0 355.438 2.608 10 0 FFAERN Cc1ccc([C@H]2CN(C(=O)[C@@H](C)NC(=O)Nc3ccccc3)CCO2)o1 ZINC000133977829 508476102 /nfs/dbraw/zinc/47/61/02/508476102.db2.gz MJMFODKWHWUKHM-RHSMWYFYSA-N 0 0 357.410 2.698 10 0 FFAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000127611865 508476680 /nfs/dbraw/zinc/47/66/80/508476680.db2.gz CIXLMWYNNVTRDB-KBMXLJTQSA-N 0 0 368.399 2.788 10 0 FFAERN CCc1c(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cnn1-c1ccccc1 ZINC000127632466 508479899 /nfs/dbraw/zinc/47/98/99/508479899.db2.gz QQJCDHKDLITYCM-MRXNPFEDSA-N 0 0 364.453 2.579 10 0 FFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC1(C)Cc3ccccc3C1)CC2 ZINC000127654401 508482760 /nfs/dbraw/zinc/48/27/60/508482760.db2.gz WURDJRVZSMKAON-MRXNPFEDSA-N 0 0 353.470 2.573 10 0 FFAERN Cc1cccc(NC2CCN(c3cc(N4CCC[C@H]4CO)ncn3)CC2)c1 ZINC000156833395 508483639 /nfs/dbraw/zinc/48/36/39/508483639.db2.gz BLMAFVUWBCBXQQ-IBGZPJMESA-N 0 0 367.497 2.827 10 0 FFAERN Cc1nc(CN2CCCN(C(=O)C[C@@H](C)c3cccc(F)c3)CC2)no1 ZINC000116198233 508485107 /nfs/dbraw/zinc/48/51/07/508485107.db2.gz DQTKFXPTJSDFKM-CQSZACIVSA-N 0 0 360.433 2.745 10 0 FFAERN Cc1nc(CN2CCCN(C(=O)C[C@H](C)c3ccccc3C)CC2)no1 ZINC000116198244 508485234 /nfs/dbraw/zinc/48/52/34/508485234.db2.gz KBYUEXVSMBGKLV-INIZCTEOSA-N 0 0 356.470 2.915 10 0 FFAERN CCc1ccc([C@@H](C)NC(=O)C(=O)Nc2c(C)nn(CCOC)c2C)cc1 ZINC000152652274 508486950 /nfs/dbraw/zinc/48/69/50/508486950.db2.gz PYICYXSNHNHQHF-CYBMUJFWSA-N 0 0 372.469 2.525 10 0 FFAERN COc1ccc(F)cc1NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122138047 508487099 /nfs/dbraw/zinc/48/70/99/508487099.db2.gz IPNJGRVTMCWCGZ-CQSZACIVSA-N 0 0 359.405 2.757 10 0 FFAERN CCS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000134071755 508489099 /nfs/dbraw/zinc/48/90/99/508489099.db2.gz CBQIUSIIRKCHQX-KRWDZBQOSA-N 0 0 363.435 2.595 10 0 FFAERN Cc1[nH]c(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(C)c1C(=O)OC(C)C ZINC000116230724 508489682 /nfs/dbraw/zinc/48/96/82/508489682.db2.gz XUJLOMZVBPKQJN-CQSZACIVSA-N 0 0 358.442 2.560 10 0 FFAERN Cn1nccc1C1CCN(C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1 ZINC000152669673 508490719 /nfs/dbraw/zinc/49/07/19/508490719.db2.gz UOADNKPDOCBCEO-UHFFFAOYSA-N 0 0 369.425 2.788 10 0 FFAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H]3CC(C)(C)c4ccccc43)CCO2)[nH]1 ZINC000152668276 508490730 /nfs/dbraw/zinc/49/07/30/508490730.db2.gz UHLXQTSSUKTWAL-HOTGVXAUSA-N 0 0 369.469 2.873 10 0 FFAERN O=C(COc1cccc(Br)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127724023 508491606 /nfs/dbraw/zinc/49/16/06/508491606.db2.gz ADLAJCGBSTWQPH-CXAGYDPISA-N 0 0 368.271 2.982 10 0 FFAERN O=C(COc1cccc(Br)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127724506 508491668 /nfs/dbraw/zinc/49/16/68/508491668.db2.gz ADLAJCGBSTWQPH-SUMWQHHRSA-N 0 0 368.271 2.982 10 0 FFAERN O=C(CN1CCC[C@@H]1c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000116293753 508495761 /nfs/dbraw/zinc/49/57/61/508495761.db2.gz DFOGAYQLLHZPSJ-GOSISDBHSA-N 0 0 357.429 2.904 10 0 FFAERN CN(C)c1cccc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)n1 ZINC000152697170 508496287 /nfs/dbraw/zinc/49/62/87/508496287.db2.gz LXDKXGUCOXEIFF-UHFFFAOYSA-N 0 0 373.501 2.794 10 0 FFAERN CC(C)NC(=O)Nc1cccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000134145864 508500207 /nfs/dbraw/zinc/50/02/07/508500207.db2.gz FOZNSLKKXPRARR-CYBMUJFWSA-N 0 0 370.457 2.635 10 0 FFAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000116353852 508502532 /nfs/dbraw/zinc/50/25/32/508502532.db2.gz ANZFFYSJLDIWDZ-AWEZNQCLSA-N 0 0 369.464 2.517 10 0 FFAERN COc1cc(C)ccc1NC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000152726498 508503285 /nfs/dbraw/zinc/50/32/85/508503285.db2.gz DUKVFRDQGHUWCP-UHFFFAOYSA-N 0 0 358.442 2.604 10 0 FFAERN O=C1[C@H](N2CCC(Nc3cccnn3)CC2)CCCN1c1ccccc1F ZINC000156966092 508504029 /nfs/dbraw/zinc/50/40/29/508504029.db2.gz LEQMYRXPNXIVAJ-GOSISDBHSA-N 0 0 369.444 2.688 10 0 FFAERN Cc1ccc(CN2CCO[C@H](Cn3cccn3)C2)cc1Br ZINC000122242704 508504916 /nfs/dbraw/zinc/50/49/16/508504916.db2.gz QOBSYMHSYDRKDV-HNNXBMFYSA-N 0 0 350.260 2.855 10 0 FFAERN Cc1ccc([C@@H]2CCCCN2C(=O)CN2C(=O)NC3(CCCC3)C2=O)o1 ZINC000127821932 508505492 /nfs/dbraw/zinc/50/54/92/508505492.db2.gz YLJAGPJINKROPD-AWEZNQCLSA-N 0 0 359.426 2.506 10 0 FFAERN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCC[C@@H]1c1ccco1 ZINC000116404504 508508642 /nfs/dbraw/zinc/50/86/42/508508642.db2.gz UOUDRURQXJLIOC-QZTJIDSGSA-N 0 0 368.433 2.543 10 0 FFAERN Cn1cc([C@H]2CCN(C(=O)NCc3ccccc3Br)C2)cn1 ZINC000116425506 508512291 /nfs/dbraw/zinc/51/22/91/508512291.db2.gz IUFSVEQUQWCZON-ZDUSSCGKSA-N 0 0 363.259 2.882 10 0 FFAERN CCOc1cc(C)nc(N2CCN(Cc3nc(C4CCCC4)no3)CC2)n1 ZINC000152769951 508512546 /nfs/dbraw/zinc/51/25/46/508512546.db2.gz OEWQELPVEWAWKN-UHFFFAOYSA-N 0 0 372.473 2.547 10 0 FFAERN Cc1noc([C@H]2COCCN2C(=O)c2cncc(-c3ccccc3)c2)n1 ZINC000152776873 508514416 /nfs/dbraw/zinc/51/44/16/508514416.db2.gz POPGMYQVIOIOAX-QGZVFWFLSA-N 0 0 350.378 2.654 10 0 FFAERN O=C(NCc1ccc(O)c(F)c1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000127886884 508516276 /nfs/dbraw/zinc/51/62/76/508516276.db2.gz DVTYPZYBVIYFNG-BLLLJJGKSA-N 0 0 366.339 2.827 10 0 FFAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2F)C1 ZINC000152818857 508520745 /nfs/dbraw/zinc/52/07/45/508520745.db2.gz FUQLDNBHXDEIBK-ZDUSSCGKSA-N 0 0 368.416 2.847 10 0 FFAERN CC(C)Oc1cccc(CC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000134329754 508521025 /nfs/dbraw/zinc/52/10/25/508521025.db2.gz GCIYLJRNUQWPHS-YLJYHZDGSA-N 0 0 371.481 2.722 10 0 FFAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000134380154 508526556 /nfs/dbraw/zinc/52/65/56/508526556.db2.gz ASUFZQWRLJTGFA-IUODEOHRSA-N 0 0 351.809 2.798 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(C(=O)NC[C@@H](C)CC2(C)OCCO2)C1 ZINC000152879897 508526868 /nfs/dbraw/zinc/52/68/68/508526868.db2.gz SDACGCHUOXGPDS-JKSUJKDBSA-N 0 0 364.490 2.581 10 0 FFAERN CC(C)NC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116577286 508532830 /nfs/dbraw/zinc/53/28/30/508532830.db2.gz ZOYVKBFGGVPVLI-INIZCTEOSA-N 0 0 369.421 2.720 10 0 FFAERN C[C@H](NC(=O)NCC1CCN(C(=O)c2ccccc2)CC1)c1ccncc1 ZINC000122422964 508532914 /nfs/dbraw/zinc/53/29/14/508532914.db2.gz SZAMTXODKUMPDI-INIZCTEOSA-N 0 0 366.465 2.994 10 0 FFAERN O=C(NCCCO[C@@H]1CCOC1)N1CCC(Nc2ccccc2F)CC1 ZINC000127996146 508533183 /nfs/dbraw/zinc/53/31/83/508533183.db2.gz PZYLXFYCLRALJN-MRXNPFEDSA-N 0 0 365.449 2.607 10 0 FFAERN CCCCc1ccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116587697 508535722 /nfs/dbraw/zinc/53/57/22/508535722.db2.gz GVMLTRJQMYBLAM-MRXNPFEDSA-N 0 0 354.454 2.717 10 0 FFAERN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000122461207 508538806 /nfs/dbraw/zinc/53/88/06/508538806.db2.gz KYGGYMBIJTZFHE-UHFFFAOYSA-N 0 0 359.373 2.997 10 0 FFAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000134489893 508539314 /nfs/dbraw/zinc/53/93/14/508539314.db2.gz QBBKFQUVLPGRQU-GLQYFDAESA-N 0 0 369.259 2.709 10 0 FFAERN Cc1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000134591796 508549633 /nfs/dbraw/zinc/54/96/33/508549633.db2.gz PLUURKGTTBIHJP-YOEHRIQHSA-N 0 0 360.360 2.546 10 0 FFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000122542377 508551161 /nfs/dbraw/zinc/55/11/61/508551161.db2.gz AULZZSJKVDHVBR-INIZCTEOSA-N 0 0 373.432 2.773 10 0 FFAERN O=C(NCc1cnn(-c2ccccc2)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000134614164 508551636 /nfs/dbraw/zinc/55/16/36/508551636.db2.gz ZKLAHIABSUHTDQ-IBGZPJMESA-N 0 0 363.421 2.630 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(-c3ccccn3)c1C)CC2 ZINC000122550892 508553084 /nfs/dbraw/zinc/55/30/84/508553084.db2.gz GBYWIYMVPMMXPD-HNNXBMFYSA-N 0 0 361.449 2.956 10 0 FFAERN COc1cc(C(=O)N[C@H]2CCCc3cc(F)ccc32)ccc1OCC(N)=O ZINC000153176417 508555632 /nfs/dbraw/zinc/55/56/32/508555632.db2.gz ZTAGTNYZJUMOHE-INIZCTEOSA-N 0 0 372.396 2.506 10 0 FFAERN CCOCCN1CCN(C(=O)CCC(=O)c2cccs2)C[C@H]1CC ZINC000116768881 508558441 /nfs/dbraw/zinc/55/84/41/508558441.db2.gz UMTFMKOWMKTRLK-OAHLLOKOSA-N 0 0 352.500 2.670 10 0 FFAERN CC(=O)Nc1cc(C(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)ccc1F ZINC000116776875 508559732 /nfs/dbraw/zinc/55/97/32/508559732.db2.gz FHFLOJOLBMAYTJ-OAHLLOKOSA-N 0 0 373.432 2.545 10 0 FFAERN CCOc1ccc(OCC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1 ZINC000116776513 508560055 /nfs/dbraw/zinc/56/00/55/508560055.db2.gz NKOAPMHJRAOVHU-QGZVFWFLSA-N 0 0 372.469 2.611 10 0 FFAERN COc1ccc(CC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)cc1F ZINC000116778845 508560088 /nfs/dbraw/zinc/56/00/88/508560088.db2.gz JFZJYMUUOVALAF-INIZCTEOSA-N 0 0 360.433 2.524 10 0 FFAERN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(CCOC)nn2C)C12CCCC2 ZINC000128206364 508562714 /nfs/dbraw/zinc/56/27/14/508562714.db2.gz KWBLOPWQLQBMAL-HZPDHXFCSA-N 0 0 364.490 2.811 10 0 FFAERN CN(C(=O)CCc1cc(F)ccc1F)[C@H]1CCCN(c2cccnn2)C1 ZINC000122624849 508563878 /nfs/dbraw/zinc/56/38/78/508563878.db2.gz IXBLQQCLPLZFLN-INIZCTEOSA-N 0 0 360.408 2.815 10 0 FFAERN CCO[C@@H]1C[C@H](N(C)C(=O)NCCNC(=O)c2ccccc2)C12CCCC2 ZINC000153261569 508565424 /nfs/dbraw/zinc/56/54/24/508565424.db2.gz GARJPOPGKWGXPR-ZWKOTPCHSA-N 0 0 373.497 2.796 10 0 FFAERN COc1cccc(C(=O)NCC(=O)N[C@H]2CCCc3cc(F)ccc32)c1 ZINC000153291386 508568126 /nfs/dbraw/zinc/56/81/26/508568126.db2.gz NKRUXGUGEZLQPZ-SFHVURJKSA-N 0 0 356.397 2.758 10 0 FFAERN Cc1cnn(C[C@@H]2CN(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CCO2)c1 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CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2COc3ccccc32)cc1 ZINC000194872989 510568980 /nfs/dbraw/zinc/56/89/80/510568980.db2.gz PMWLWEQGSBWSLU-KRWDZBQOSA-N 0 0 374.462 2.581 10 0 FFAERN CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)[C@H]1CNC(=O)C1 ZINC000194876820 510571051 /nfs/dbraw/zinc/57/10/51/510571051.db2.gz QYLVWKNRWCZYSH-OAHLLOKOSA-N 0 0 372.444 2.523 10 0 FFAERN O=C(Nc1ccc(Cl)cc1-c1ccccc1)C(=O)N1CCC[C@@H]1CO ZINC000191253862 510571930 /nfs/dbraw/zinc/57/19/30/510571930.db2.gz MQWHYKZAZVRJTI-OAHLLOKOSA-N 0 0 358.825 2.929 10 0 FFAERN O=C(CN1C[C@@H](c2ccsc2)[C@H](CO)C1)NCc1cccc(Cl)c1 ZINC000188062359 510572922 /nfs/dbraw/zinc/57/29/22/510572922.db2.gz WEAJBIPQZODXIV-RDJZCZTQSA-N 0 0 364.898 2.726 10 0 FFAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CCc1cc(F)ccc1Br ZINC000181748193 510573425 /nfs/dbraw/zinc/57/34/25/510573425.db2.gz UHZUUUBFMVSRHC-CQSZACIVSA-N 0 0 371.250 2.600 10 0 FFAERN O=S(=O)(c1c(Cl)cccc1Cl)N1CCS[C@H]2COCC[C@H]21 ZINC000246593251 510574856 /nfs/dbraw/zinc/57/48/56/510574856.db2.gz 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728691710 /nfs/dbraw/zinc/69/17/10/728691710.db2.gz XUVFTFPYIVRADS-UHFFFAOYSA-N 0 0 372.853 2.659 10 0 FFAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000126174883 728694889 /nfs/dbraw/zinc/69/48/89/728694889.db2.gz BKMVBORXSXJFFL-HZMBPMFUSA-N 0 0 353.344 2.962 10 0 FFAERN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c1cccs1 ZINC000126186031 728695170 /nfs/dbraw/zinc/69/51/70/728695170.db2.gz KILUYOARPMVMTM-SMDDNHRTSA-N 0 0 354.472 2.986 10 0 FFAERN CC(C)C[C@H](C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)N1CCCCC1=O ZINC000126329376 728699244 /nfs/dbraw/zinc/69/92/44/728699244.db2.gz QZEOCGCWQBTRFJ-HUUCEWRRSA-N 0 0 354.491 2.602 10 0 FFAERN CC[C@@H](OC(=O)CCCN1C(=O)NC(C)(C)C1=O)c1ccc(F)cc1 ZINC000126536815 728704071 /nfs/dbraw/zinc/70/40/71/728704071.db2.gz POCYEURQTGYFSC-CQSZACIVSA-N 0 0 350.390 2.931 10 0 FFAERN O=C(Nc1cnc(C2CC2)nc1)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000127133137 728705572 /nfs/dbraw/zinc/70/55/72/728705572.db2.gz TZBMZOWNSNFFMB-CYBMUJFWSA-N 0 0 357.439 2.503 10 0 FFAERN O=C(O[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1)[C@H]1CNC(=O)C1 ZINC000129405574 728711419 /nfs/dbraw/zinc/71/14/19/728711419.db2.gz TZAAZCWEHROEKU-OLZOCXBDSA-N 0 0 371.264 2.637 10 0 FFAERN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000129829042 728713498 /nfs/dbraw/zinc/71/34/98/728713498.db2.gz PZEPJFQAHQCFOS-RNCFNFMXSA-N 0 0 362.398 2.621 10 0 FFAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2COc3ccccc32)c1 ZINC000131821998 728723079 /nfs/dbraw/zinc/72/30/79/728723079.db2.gz PJLGNDYRYRPKRD-CQSZACIVSA-N 0 0 351.811 2.955 10 0 FFAERN Cc1cc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c(F)cc1F ZINC000132686273 728725048 /nfs/dbraw/zinc/72/50/48/728725048.db2.gz UGLVXJNKBWEDQT-ZDUSSCGKSA-N 0 0 354.378 2.510 10 0 FFAERN O=S(=O)(/C=C/c1ccc(Br)cc1)N[C@@H]1CCCC[C@H]1CO ZINC000134014274 728728342 /nfs/dbraw/zinc/72/83/42/728728342.db2.gz GBKQBRRDHAAECB-BPKFXHHPSA-N 0 0 374.300 2.890 10 0 FFAERN C[C@H]1CN(C(=O)NCCOc2ncc(Cl)cc2Cl)CCS1 ZINC000134878056 728733679 /nfs/dbraw/zinc/73/36/79/728733679.db2.gz 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C[C@@H](NC(=O)/C=C/SCc1ccco1)c1ccc(S(N)(=O)=O)cc1 ZINC000152043828 728747669 /nfs/dbraw/zinc/74/76/69/728747669.db2.gz KOEVGJAEOBCHRK-ZJNQMXKESA-N 0 0 366.464 2.551 10 0 FFAERN CC[C@H](Cc1ccccc1)OC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000166674924 728977292 /nfs/dbraw/zinc/97/72/92/728977292.db2.gz KWERRCKKAZNZNG-OAHLLOKOSA-N 0 0 351.424 2.708 10 0 FFAERN CCC(=O)N1CCc2c(sc3ncnc(NCc4cccnc4)c32)C1 ZINC000169752237 728981396 /nfs/dbraw/zinc/98/13/96/728981396.db2.gz BAHWGPOECYZPRZ-UHFFFAOYSA-N 0 0 353.451 2.993 10 0 FFAERN Cc1nc(C[C@@H]2CCCN(Cn3nnc4ccccc4c3=S)C2)no1 ZINC000171358057 729002701 /nfs/dbraw/zinc/00/27/01/729002701.db2.gz XIDDTYPTIZMIRF-ZDUSSCGKSA-N 0 0 356.455 2.764 10 0 FFAERN Cn1cc([C@H]2CCCN2Cn2nc(N3CCCC3)sc2=S)cn1 ZINC000171359714 729003265 /nfs/dbraw/zinc/00/32/65/729003265.db2.gz FVNRIBQXEDFQOG-CYBMUJFWSA-N 0 0 350.517 2.802 10 0 FFAERN Cn1cc([C@@H]2CCCN2Cn2nc(-c3cccnc3)n(C)c2=S)cn1 ZINC000171362003 729003377 /nfs/dbraw/zinc/00/33/77/729003377.db2.gz JNKMPALNBRMOTC-HNNXBMFYSA-N 0 0 355.471 2.541 10 0 FFAERN O=C(NC/C=C/c1ccccc1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000171866598 729014946 /nfs/dbraw/zinc/01/49/46/729014946.db2.gz GJGGTQPIONMBGD-RCMYXZNBSA-N 0 0 356.447 2.918 10 0 FFAERN Cn1c(Cl)cnc1COC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171993168 729017690 /nfs/dbraw/zinc/01/76/90/729017690.db2.gz YMJMGBHNEDVRAS-GUYCJALGSA-N 0 0 361.829 2.726 10 0 FFAERN COC(=O)c1ncn(CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)n1 ZINC000172911800 729034925 /nfs/dbraw/zinc/03/49/25/729034925.db2.gz NZRIRMJCQYLEMA-AWEZNQCLSA-N 0 0 364.833 2.528 10 0 FFAERN Fc1ccc(-c2cn(CN3CC[C@@H](N4CCOCC4)C3)c(=S)o2)cc1 ZINC000172961216 729037373 /nfs/dbraw/zinc/03/73/73/729037373.db2.gz GMNSKYMAXLSTKD-MRXNPFEDSA-N 0 0 363.458 2.981 10 0 FFAERN CN(Cc1cccs1)C(=O)CN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000174233541 729066529 /nfs/dbraw/zinc/06/65/29/729066529.db2.gz JEIQYAGIHNCKFM-AWEZNQCLSA-N 0 0 367.515 2.696 10 0 FFAERN C[C@@H](O)CN1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)C[C@H]1C ZINC000174350625 729069972 /nfs/dbraw/zinc/06/99/72/729069972.db2.gz KDEDXVMDHQKRMV-VXGBXAGGSA-N 0 0 362.417 2.826 10 0 FFAERN CCc1nnc(CN2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C ZINC000177059593 729127326 /nfs/dbraw/zinc/12/73/26/729127326.db2.gz BBSPHVNFUANOIM-KGLIPLIRSA-N 0 0 351.495 2.503 10 0 FFAERN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OC[C@@]1(C)CCCO1 ZINC000177209231 729131109 /nfs/dbraw/zinc/13/11/09/729131109.db2.gz PXAJTSLBNIRYBM-MAUKXSAKSA-N 0 0 355.381 2.832 10 0 FFAERN O=C(Nc1cccc(SC(F)F)c1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177398252 729135618 /nfs/dbraw/zinc/13/56/18/729135618.db2.gz HPZSUSBSNMFVPR-CYBMUJFWSA-N 0 0 369.437 2.637 10 0 FFAERN Cc1nc(Cl)sc1C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000177870791 729148057 /nfs/dbraw/zinc/14/80/57/729148057.db2.gz KUROVQJCWJHYEU-NSHDSACASA-N 0 0 351.863 2.636 10 0 FFAERN CNC(=O)[C@H](NC(=O)c1ccccc1NC(=O)c1ccsc1)C(C)C ZINC000178584324 729165308 /nfs/dbraw/zinc/16/53/08/729165308.db2.gz OCEFRCXMTMQOKV-OAHLLOKOSA-N 0 0 359.451 2.501 10 0 FFAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2CO)C1 ZINC000179234044 729181349 /nfs/dbraw/zinc/18/13/49/729181349.db2.gz WAUPTSOPAROEQO-ZJIFWQFVSA-N 0 0 354.491 2.737 10 0 FFAERN Cc1cc(C)n(C[C@H]2CN(Cn3nc(Cl)c4ccccc43)CCO2)n1 ZINC000180370632 729212390 /nfs/dbraw/zinc/21/23/90/729212390.db2.gz HKUYHYJWECRXQD-OAHLLOKOSA-N 0 0 359.861 2.862 10 0 FFAERN CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000181118267 729234826 /nfs/dbraw/zinc/23/48/26/729234826.db2.gz PVOFAAFXPSMZHO-UONOGXRCSA-N 0 0 366.389 2.615 10 0 FFAERN C[C@@H](NC(=O)C(=O)Nc1cccnc1Br)c1cccs1 ZINC000181360572 729244519 /nfs/dbraw/zinc/24/45/19/729244519.db2.gz XXKGCDNYHSCQLO-MRVPVSSYSA-N 0 0 354.229 2.722 10 0 FFAERN O=CN1CCC(OC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000181916605 729262969 /nfs/dbraw/zinc/26/29/69/729262969.db2.gz ROUYTYLBGPYSQH-GJZGRUSLSA-N 0 0 352.228 2.717 10 0 FFAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NNc1ccc(C#N)c(Cl)c1 ZINC000182357777 729275876 /nfs/dbraw/zinc/27/58/76/729275876.db2.gz MBCZODXVXYTEGJ-NSHDSACASA-N 0 0 357.801 2.865 10 0 FFAERN O[C@H](CN1CCCC[C@@H]1c1nc[nH]n1)c1ccccc1Br ZINC000182679952 729284446 /nfs/dbraw/zinc/28/44/46/729284446.db2.gz LPQNANNMAMKRLQ-ZIAGYGMSSA-N 0 0 351.248 2.828 10 0 FFAERN CS(=O)(=O)Nc1ccc(OC(=O)c2c[nH]nc2-c2ccccc2)cc1 ZINC000183120036 729296123 /nfs/dbraw/zinc/29/61/23/729296123.db2.gz HZBMFDYJYWHLKE-UHFFFAOYSA-N 0 0 357.391 2.667 10 0 FFAERN C[C@@H](OC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)C1CCOCC1 ZINC000183664089 729310514 /nfs/dbraw/zinc/31/05/14/729310514.db2.gz YYIXAVPOGAQDLO-RDTXWAMCSA-N 0 0 351.418 2.557 10 0 FFAERN CCC1(CC)CN(C(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC[S@]1=O ZINC000183871943 729315435 /nfs/dbraw/zinc/31/54/35/729315435.db2.gz AAZJBYWZBMCMBI-DLUDVSRJSA-N 0 0 372.531 2.536 10 0 FFAERN N#CC1(COC(=O)[C@@H]2COc3ccc(Br)cc32)CCOCC1 ZINC000183911254 729316326 /nfs/dbraw/zinc/31/63/26/729316326.db2.gz RGMYQWDZZYXLLD-CYBMUJFWSA-N 0 0 366.211 2.789 10 0 FFAERN COC(=O)N[C@@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1)C(C)C ZINC000184263075 729323803 /nfs/dbraw/zinc/32/38/03/729323803.db2.gz QJGMCIOKDDUXCP-HUUCEWRRSA-N 0 0 372.824 2.760 10 0 FFAERN Cc1cc(F)cc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000187613899 729379011 /nfs/dbraw/zinc/37/90/11/729379011.db2.gz OKFPBMICCZNKBW-WFASDCNBSA-N 0 0 364.398 2.952 10 0 FFAERN Cc1[nH]c(=S)sc1CC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187746716 729380643 /nfs/dbraw/zinc/38/06/43/729380643.db2.gz MRJVWAKDBZTCDR-RYUDHWBXSA-N 0 0 354.522 2.579 10 0 FFAERN CC[C@@H](CC#N)OC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 ZINC000188097444 729384263 /nfs/dbraw/zinc/38/42/63/729384263.db2.gz JGZOBPQQNSBBBZ-DOTOQJQBSA-N 0 0 366.483 2.924 10 0 FFAERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@H](O)C1CCCCC1 ZINC000188164047 729385235 /nfs/dbraw/zinc/38/52/35/729385235.db2.gz OFOGUIWRTDWRPX-ARFHVFGLSA-N 0 0 354.491 2.737 10 0 FFAERN CC(C)CO[C@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)C1 ZINC000188386586 729387587 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ZINC000175584222 251232133 /nfs/dbraw/zinc/23/21/33/251232133.db2.gz RHSAILGYSYCFCD-KRWDZBQOSA-N 0 0 372.444 2.901 10 0 FFAERN CCS[C@@H]1CCC[C@@H](NC(=O)NC2CCN(c3ncccn3)CC2)C1 ZINC000175586097 251232242 /nfs/dbraw/zinc/23/22/42/251232242.db2.gz TYAJOKBPWDVIAT-HZPDHXFCSA-N 0 0 363.531 2.809 10 0 FFAERN CCC[C@@H](CCc1ccccc1)NC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000175579408 251233254 /nfs/dbraw/zinc/23/32/54/251233254.db2.gz ZGLALZYKTZYBGB-ZWKOTPCHSA-N 0 0 371.485 2.998 10 0 FFAERN C[C@H](COCc1ccccc1)NC(=O)Nc1cccnc1N1CCOCC1 ZINC000175517787 251222601 /nfs/dbraw/zinc/22/26/01/251222601.db2.gz YBMXMYKSZNRZPV-MRXNPFEDSA-N 0 0 370.453 2.645 10 0 FFAERN CN(C)c1noc(C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)n1 ZINC000186756297 251257995 /nfs/dbraw/zinc/25/79/95/251257995.db2.gz JCAMKVJYRYAXAI-UHFFFAOYSA-N 0 0 352.797 2.948 10 0 FFAERN CN(C)c1noc(C2CCN(C(=O)c3nc(Cl)ccc3Cl)CC2)n1 ZINC000186756346 251258071 /nfs/dbraw/zinc/25/80/71/251258071.db2.gz RODDOMXSTJBOAC-UHFFFAOYSA-N 0 0 370.240 2.857 10 0 FFAERN Cc1nc(CCCC(=O)N2CCC(c3nc(N(C)C)no3)CC2)cs1 ZINC000186766133 251259434 /nfs/dbraw/zinc/25/94/34/251259434.db2.gz IHLHUWDFLCWSMZ-UHFFFAOYSA-N 0 0 363.487 2.629 10 0 FFAERN CN(C)c1noc(C2CCN(C(=O)c3cnc(C(C)(C)C)s3)CC2)n1 ZINC000186762321 251259459 /nfs/dbraw/zinc/25/94/59/251259459.db2.gz AGFQBERIKVBODR-UHFFFAOYSA-N 0 0 363.487 2.909 10 0 FFAERN COc1ccc(C(C)(C)C(=O)N2CCC(c3nc(N(C)C)no3)CC2)cc1 ZINC000186766382 251260194 /nfs/dbraw/zinc/26/01/94/251260194.db2.gz BDAJHSPCNRSGIT-UHFFFAOYSA-N 0 0 372.469 2.828 10 0 FFAERN CN(C)c1noc(C2CCN(C(=O)CCc3cccc(F)c3F)CC2)n1 ZINC000186783022 251263607 /nfs/dbraw/zinc/26/36/07/251263607.db2.gz BEFDFCGZJXNEJE-UHFFFAOYSA-N 0 0 364.396 2.753 10 0 FFAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000181143529 251248203 /nfs/dbraw/zinc/24/82/03/251248203.db2.gz WGFDYZDBBIUTAH-KBPBESRZSA-N 0 0 357.462 2.562 10 0 FFAERN O=C(COc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181191038 251255466 /nfs/dbraw/zinc/25/54/66/251255466.db2.gz YZHHQKWRWVJYSK-CYBMUJFWSA-N 0 0 354.332 2.956 10 0 FFAERN C[C@H](Oc1cccc2ccccc21)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000192557598 251287394 /nfs/dbraw/zinc/28/73/94/251287394.db2.gz TWFBDUOKBQHHFE-FUHWJXTLSA-N 0 0 365.433 2.731 10 0 FFAERN O=C(NCC1CCC2(CC1)OCCO2)N1CC[C@@H](Nc2ccccc2)C1 ZINC000192627868 251294946 /nfs/dbraw/zinc/29/49/46/251294946.db2.gz BTPAYJJXWMYOMJ-GOSISDBHSA-N 0 0 359.470 2.816 10 0 FFAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCSC2(CCOCC2)C1 ZINC000186839300 251274026 /nfs/dbraw/zinc/27/40/26/251274026.db2.gz RNWIVSCWDOPBRE-UHFFFAOYSA-N 0 0 374.506 2.547 10 0 FFAERN CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)nn(C)c2C)[C@H]1Oc1ccccc1 ZINC000252004611 251306411 /nfs/dbraw/zinc/30/64/11/251306411.db2.gz ZLRPUZQBYIQXKC-SFHLNBCPSA-N 0 0 371.481 2.711 10 0 FFAERN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000251671455 251299429 /nfs/dbraw/zinc/29/94/29/251299429.db2.gz LXOMMSYIJCGVIT-XHSDSOJGSA-N 0 0 363.506 2.609 10 0 FFAERN CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2cc(C)on2)[C@H]1Oc1ccccc1 ZINC000251654726 251299445 /nfs/dbraw/zinc/29/94/45/251299445.db2.gz JROSZNURQQOSCT-RCCFBDPRSA-N 0 0 359.426 2.749 10 0 FFAERN CC1(C)[C@H](NC(=O)N2CCC(Nc3nccs3)CC2)[C@@H]2CCO[C@H]21 ZINC000251704022 251301560 /nfs/dbraw/zinc/30/15/60/251301560.db2.gz JMLJHVUKDAFTAR-BFHYXJOUSA-N 0 0 350.488 2.543 10 0 FFAERN Cc1ncc(CNC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)s1 ZINC000272410502 252031054 /nfs/dbraw/zinc/03/10/54/252031054.db2.gz FIWXFTYVIACQMT-CQSZACIVSA-N 0 0 360.487 2.816 10 0 FFAERN CCc1nn(C)cc1NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000272360910 252021008 /nfs/dbraw/zinc/02/10/08/252021008.db2.gz PVMJYWOVMIZQRM-OAHLLOKOSA-N 0 0 357.462 2.669 10 0 FFAERN CC[C@H]1OCCC[C@H]1C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000277008077 256151603 /nfs/dbraw/zinc/15/16/03/256151603.db2.gz ALCGIOORVGAGIB-UKRRQHHQSA-N 0 0 360.483 2.545 10 0 FFAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC000277667673 256223762 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CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(Oc2cnccn2)c1 ZINC000087563047 508355315 /nfs/dbraw/zinc/35/53/15/508355315.db2.gz WMARKOFOMHKNNW-HNNXBMFYSA-N 0 0 364.409 2.688 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1sccc1Br ZINC000088197377 508356457 /nfs/dbraw/zinc/35/64/57/508356457.db2.gz PIUSAFBFSDMVJP-SECBINFHSA-N 0 0 355.261 2.929 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000088196626 508356498 /nfs/dbraw/zinc/35/64/98/508356498.db2.gz BVWNYHIJRCKXHF-QGZVFWFLSA-N 0 0 372.517 2.894 10 0 FFAERN CCN(Cc1ccccc1)C(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000105020241 508357047 /nfs/dbraw/zinc/35/70/47/508357047.db2.gz IUIIDQBILBCECT-UHFFFAOYSA-N 0 0 355.457 2.996 10 0 FFAERN CCOCCOc1c(Cl)cccc1NC(=O)NCCc1nc(C)no1 ZINC000105024206 508357583 /nfs/dbraw/zinc/35/75/83/508357583.db2.gz ISXOVHPVJHEOLA-UHFFFAOYSA-N 0 0 368.821 2.811 10 0 FFAERN Cc1ccc([C@H](C)NC(=O)CCc2c(C)nc3nc(N)nn3c2C)cc1F ZINC000088252997 508362130 /nfs/dbraw/zinc/36/21/30/508362130.db2.gz PVBBHSDTLMJIOR-NSHDSACASA-N 0 0 370.432 2.581 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CC=C(c3ccccc3)CC1)CC2 ZINC000114977886 508364127 /nfs/dbraw/zinc/36/41/27/508364127.db2.gz AQZPERWEEXGLDH-KRWDZBQOSA-N 0 0 351.454 2.654 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc(-c2nccn2C)c1 ZINC000088380528 508368160 /nfs/dbraw/zinc/36/81/60/508368160.db2.gz YLKMAMBPDOIVTQ-OAHLLOKOSA-N 0 0 365.441 2.898 10 0 FFAERN Cc1ccc([C@H](C)NC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1F ZINC000088388694 508368204 /nfs/dbraw/zinc/36/82/04/508368204.db2.gz WVSJTSYRYKSECJ-NSHDSACASA-N 0 0 351.403 2.664 10 0 FFAERN Cc1cccc(Oc2ncccc2NC(=O)NC[C@@H]2CN(C)CCO2)c1C ZINC000105281195 508368623 /nfs/dbraw/zinc/36/86/23/508368623.db2.gz FMORUPKRTQQHKF-MRXNPFEDSA-N 0 0 370.453 2.943 10 0 FFAERN CN1CCO[C@H](CNC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000105282035 508368744 /nfs/dbraw/zinc/36/87/44/508368744.db2.gz PENKYTZZWGBCCP-LJQANCHMSA-N 0 0 373.428 2.857 10 0 FFAERN O=C(NCCNc1ncc(Cl)cc1Cl)NC[C@H]1CCCC[C@H]1O ZINC000077776048 508371848 /nfs/dbraw/zinc/37/18/48/508371848.db2.gz GJBNNZXBNRPUAT-ZWNOBZJWSA-N 0 0 361.273 2.651 10 0 FFAERN O=C(C[C@@H]1C=CCC1)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000115155450 508372510 /nfs/dbraw/zinc/37/25/10/508372510.db2.gz VYCKVHCKRINHLS-GOSISDBHSA-N 0 0 350.466 2.873 10 0 FFAERN Cc1ccncc1NC(=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000105527118 508374641 /nfs/dbraw/zinc/37/46/41/508374641.db2.gz WHECALNAMREPPK-LLVKDONJSA-N 0 0 362.227 2.968 10 0 FFAERN Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000115202073 508374816 /nfs/dbraw/zinc/37/48/16/508374816.db2.gz HMFVSTDPTXKICZ-WMLDXEAASA-N 0 0 360.845 2.930 10 0 FFAERN Cn1cc([C@H]2[C@H](C(=O)N3CCC4(CCCCC4)CC3)CCC(=O)N2C)cn1 ZINC000115214076 508375966 /nfs/dbraw/zinc/37/59/66/508375966.db2.gz GLPIFYYMSCIMHK-MJGOQNOKSA-N 0 0 372.513 2.903 10 0 FFAERN O=c1[nH]nc(SCc2nc(-c3ccoc3)no2)n1CCc1ccccc1 ZINC000105572449 508376128 /nfs/dbraw/zinc/37/61/28/508376128.db2.gz DJQJXMQKSXJFDN-UHFFFAOYSA-N 0 0 369.406 2.749 10 0 FFAERN CCN(C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)[C@H](C)c1cccnc1 ZINC000115226315 508376948 /nfs/dbraw/zinc/37/69/48/508376948.db2.gz WNNCAWPKVXIGBB-KGLIPLIRSA-N 0 0 351.406 2.676 10 0 FFAERN Cc1cccc(CNC(=O)CC[C@@H](C)CC(=O)NCc2cccc(C)n2)n1 ZINC000105596092 508377402 /nfs/dbraw/zinc/37/74/02/508377402.db2.gz AVVMOUSEZBCFOF-OAHLLOKOSA-N 0 0 368.481 2.832 10 0 FFAERN CN(C[C@@H]1CCCO1)C(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000105598443 508377475 /nfs/dbraw/zinc/37/74/75/508377475.db2.gz NBQFDYZVQHBDFD-JTQLQIEISA-N 0 0 372.322 2.676 10 0 FFAERN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000088796191 508385959 /nfs/dbraw/zinc/38/59/59/508385959.db2.gz IUVYLXZMHSQHPV-NSHDSACASA-N 0 0 355.387 2.943 10 0 FFAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000115404098 508391431 /nfs/dbraw/zinc/39/14/31/508391431.db2.gz IMPHGBURUIBHSY-WMZOPIPTSA-N 0 0 366.465 2.982 10 0 FFAERN Cc1ncc(CN2CCN([C@@H](C)C(=O)NCC3CCCCC3)CC2)s1 ZINC000106091436 508393147 /nfs/dbraw/zinc/39/31/47/508393147.db2.gz JXHAVGIKKVHSHI-HNNXBMFYSA-N 0 0 364.559 2.654 10 0 FFAERN Cc1ncc(CN2CCN([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)s1 ZINC000106091608 508393305 /nfs/dbraw/zinc/39/33/05/508393305.db2.gz SCQBYZAMUUKPLD-JKSUJKDBSA-N 0 0 372.538 2.835 10 0 FFAERN CCc1noc([C@@H](C)N2CCN(CC(=O)Nc3ccc(C)c(C)c3)CC2)n1 ZINC000106139965 508396030 /nfs/dbraw/zinc/39/60/30/508396030.db2.gz UGIFTBFMZWLRGJ-MRXNPFEDSA-N 0 0 371.485 2.566 10 0 FFAERN Cc1cnn(C[C@@H]2CN(Cc3ccc(Br)cc3F)CCO2)c1 ZINC000106198910 508397663 /nfs/dbraw/zinc/39/76/63/508397663.db2.gz ROSWOEXQXCAZBW-HNNXBMFYSA-N 0 0 368.250 2.994 10 0 FFAERN Cc1cc(C)n(C[C@@H]2CN(CC(=O)Nc3ccccc3C(C)C)CCO2)n1 ZINC000106202960 508397846 /nfs/dbraw/zinc/39/78/46/508397846.db2.gz CUZQLEOJRRXBHJ-SFHVURJKSA-N 0 0 370.497 2.963 10 0 FFAERN CCOC(=O)c1[nH]c(C)c(C(=O)CN2CCC[C@@H](n3cc(C)cn3)C2)c1C ZINC000106222054 508398102 /nfs/dbraw/zinc/39/81/02/508398102.db2.gz WOXGPIRFQDSBRN-MRXNPFEDSA-N 0 0 372.469 2.833 10 0 FFAERN Cc1cnn([C@@H]2CCCN(CC(=O)N3CCSc4ccccc43)C2)c1 ZINC000106223885 508398289 /nfs/dbraw/zinc/39/82/89/508398289.db2.gz QIOAOLDTLZCOSU-MRXNPFEDSA-N 0 0 356.495 2.967 10 0 FFAERN CCOc1ccc(CNC(=O)C(=O)Nc2ccccc2N(C)C)cc1F ZINC000106348663 508399660 /nfs/dbraw/zinc/39/96/60/508399660.db2.gz BLIGDKWSRPSLSS-UHFFFAOYSA-N 0 0 359.401 2.545 10 0 FFAERN CC(C)COC1CCN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000106357417 508399698 /nfs/dbraw/zinc/39/96/98/508399698.db2.gz MJPUCFSZCYOCGB-OAHLLOKOSA-N 0 0 356.532 2.598 10 0 FFAERN COc1ccccc1CCN(C)C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000106360727 508399809 /nfs/dbraw/zinc/39/98/09/508399809.db2.gz ZNQBDTNNQNULKZ-HNNXBMFYSA-N 0 0 364.511 2.644 10 0 FFAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(SC)cc2)C1 ZINC000106367788 508399819 /nfs/dbraw/zinc/39/98/19/508399819.db2.gz BMQNGTCJWWVVBC-CYBMUJFWSA-N 0 0 366.512 2.588 10 0 FFAERN Cc1cccc(C)c1OC[C@H](O)CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000106373822 508399920 /nfs/dbraw/zinc/39/99/20/508399920.db2.gz RLBSZCOQWNBCRQ-QGZVFWFLSA-N 0 0 357.498 2.958 10 0 FFAERN CCOc1cccc(N2CCN(C(=O)N[C@H](C)c3ccc(C)o3)CC2)n1 ZINC000106520385 508401403 /nfs/dbraw/zinc/40/14/03/508401403.db2.gz AZXGKAOVOOULKA-OAHLLOKOSA-N 0 0 358.442 2.975 10 0 FFAERN C[C@@H](Sc1nnnn1C1CCOCC1)C(=O)c1cc(F)ccc1F ZINC000106588605 508402813 /nfs/dbraw/zinc/40/28/13/508402813.db2.gz LNPXASAUYAQNCZ-SECBINFHSA-N 0 0 354.382 2.666 10 0 FFAERN COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000106597840 508402911 /nfs/dbraw/zinc/40/29/11/508402911.db2.gz BUPRSMKFBJUTKJ-JKSUJKDBSA-N 0 0 350.374 2.663 10 0 FFAERN C[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1CCCO1 ZINC000106613359 508403095 /nfs/dbraw/zinc/40/30/95/508403095.db2.gz YBTQNTAVWYSDIE-XHDPSFHLSA-N 0 0 364.243 2.932 10 0 FFAERN COc1cccc([C@H]2C[C@H]2C(=O)Nc2nc(CN3CCOCC3)cs2)c1 ZINC000106746336 508404138 /nfs/dbraw/zinc/40/41/38/508404138.db2.gz LIHIFNOOVYXIDR-IAGOWNOFSA-N 0 0 373.478 2.726 10 0 FFAERN O=C(CCC1CCCC1)NCC(=O)NCCOc1ccc(F)cc1F ZINC000106775803 508404350 /nfs/dbraw/zinc/40/43/50/508404350.db2.gz HNERLRDGSVVYJQ-UHFFFAOYSA-N 0 0 354.397 2.546 10 0 FFAERN Cc1ccc(C)n1-c1c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cnn1C ZINC000121756794 508411375 /nfs/dbraw/zinc/41/13/75/508411375.db2.gz WVZHMWXJYFBYNU-OXQOHEQNSA-N 0 0 356.470 2.595 10 0 FFAERN CCOc1cc(/C=C/C(=O)N2CCC[C@H](Cn3cncn3)C2)ccc1OC ZINC000127187837 508411972 /nfs/dbraw/zinc/41/19/72/508411972.db2.gz KLBPYFMKNTWCHF-LKUPDRCFSA-N 0 0 370.453 2.637 10 0 FFAERN C[C@@H]1CC[C@H](C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)O1 ZINC000156403726 508415307 /nfs/dbraw/zinc/41/53/07/508415307.db2.gz DPYPBEXXUOJZSE-LDYMZIIASA-N 0 0 352.740 2.816 10 0 FFAERN CCn1cc(C2CCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)CC2)cn1 ZINC000127252168 508421436 /nfs/dbraw/zinc/42/14/36/508421436.db2.gz BZPSJRFVNFWTSF-UHFFFAOYSA-N 0 0 362.474 2.666 10 0 FFAERN Cc1ccc([C@H]2CN(C(=O)c3ccc(-c4ccco4)[nH]c3=O)CCO2)o1 ZINC000127253549 508421895 /nfs/dbraw/zinc/42/18/95/508421895.db2.gz MCJZMELNCRCDAN-QGZVFWFLSA-N 0 0 354.362 2.750 10 0 FFAERN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000133630004 508426923 /nfs/dbraw/zinc/42/69/23/508426923.db2.gz FAZMHGGMIPWJFO-DOTOQJQBSA-N 0 0 361.490 2.541 10 0 FFAERN CC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c1 ZINC000127305620 508429432 /nfs/dbraw/zinc/42/94/32/508429432.db2.gz ACFIXVIKVRLJBB-HNNXBMFYSA-N 0 0 370.409 2.698 10 0 FFAERN Cc1ccnc(-c2ccc(NC(=O)[C@@H](C)NC(=O)c3ccco3)cc2)n1 ZINC000115730558 508433041 /nfs/dbraw/zinc/43/30/41/508433041.db2.gz ASRIRRJJEJRWJO-CYBMUJFWSA-N 0 0 350.378 2.802 10 0 FFAERN COc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c(C)c1 ZINC000127330125 508433377 /nfs/dbraw/zinc/43/33/77/508433377.db2.gz YCNKVWCYRCRATA-HNNXBMFYSA-N 0 0 372.425 2.812 10 0 FFAERN COC(=O)C[C@H](NS(=O)(=O)c1cc(F)c(C)cc1F)c1ccccc1 ZINC000121861262 508434482 /nfs/dbraw/zinc/43/44/82/508434482.db2.gz PNTXEZROKZSABF-HNNXBMFYSA-N 0 0 369.389 2.856 10 0 FFAERN CNC(=O)[C@H]1CCCN1C(=O)NCCSCc1cccc2ccccc21 ZINC000156534655 508435206 /nfs/dbraw/zinc/43/52/06/508435206.db2.gz QQHXXCPAHFEKKN-GOSISDBHSA-N 0 0 371.506 2.993 10 0 FFAERN Cc1cc(C(=O)CCC(=O)N2CCC[C@H](Cn3cncn3)C2)c(C)s1 ZINC000127347778 508436249 /nfs/dbraw/zinc/43/62/49/508436249.db2.gz NDWMJTYYRARMLF-HNNXBMFYSA-N 0 0 360.483 2.858 10 0 FFAERN CC1(C)C[C@H](NC(=O)CS(=O)(=O)C2CCCC2)c2ccccc2O1 ZINC000121891978 508442407 /nfs/dbraw/zinc/44/24/07/508442407.db2.gz WPCNTNLVIFHCHJ-HNNXBMFYSA-N 0 0 351.468 2.762 10 0 FFAERN CCc1c(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cnn1-c1ccccn1 ZINC000133741464 508442591 /nfs/dbraw/zinc/44/25/91/508442591.db2.gz CRHGEVVWSDIYSM-GOSISDBHSA-N 0 0 366.421 2.945 10 0 FFAERN CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[C@@H]1CCCN(c2cccnn2)C1 ZINC000156572182 508442952 /nfs/dbraw/zinc/44/29/52/508442952.db2.gz DFIDZYWXETVXDI-FVQBIDKESA-N 0 0 372.419 2.986 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCSC[C@@H]1c1ccccc1)CC2 ZINC000115830678 508444105 /nfs/dbraw/zinc/44/41/05/508444105.db2.gz CORKWTVDXIBVDJ-HZPDHXFCSA-N 0 0 371.510 2.655 10 0 FFAERN COc1ccc(CCNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)cc1 ZINC000121903213 508444884 /nfs/dbraw/zinc/44/48/84/508444884.db2.gz NGOYXKKGKGJWFP-ICSRJNTNSA-N 0 0 370.424 2.713 10 0 FFAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCc3ccc(C(N)=O)cc3)C2)cc1 ZINC000156590707 508446138 /nfs/dbraw/zinc/44/61/38/508446138.db2.gz SAFZZNOUBARDPK-RDTXWAMCSA-N 0 0 367.449 2.882 10 0 FFAERN Cn1cc(CN2CCCN(C(=O)c3cc(F)c(Cl)cc3F)CC2)cn1 ZINC000121910965 508446930 /nfs/dbraw/zinc/44/69/30/508446930.db2.gz BJKLKGHLUGCXKO-UHFFFAOYSA-N 0 0 368.815 2.700 10 0 FFAERN C[C@@H](Cc1ccccc1F)NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000152444323 508447633 /nfs/dbraw/zinc/44/76/33/508447633.db2.gz SPODFIRSTMCLJP-RDJZCZTQSA-N 0 0 371.460 2.857 10 0 FFAERN CCOc1cc(C)ccc1NC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000152449788 508448087 /nfs/dbraw/zinc/44/80/87/508448087.db2.gz FMJFAOJORCHFQB-UHFFFAOYSA-N 0 0 372.469 2.994 10 0 FFAERN C[C@@H](NC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccncc1 ZINC000152467770 508452710 /nfs/dbraw/zinc/45/27/10/508452710.db2.gz PZUHBTSUGOZHPQ-IAQYHMDHSA-N 0 0 360.364 2.526 10 0 FFAERN O=C(CN1CCC(n2cncn2)CC1)Nc1nc(-c2cccs2)cs1 ZINC000156637629 508454305 /nfs/dbraw/zinc/45/43/05/508454305.db2.gz SWCBVJRSWBUGGT-UHFFFAOYSA-N 0 0 374.495 2.739 10 0 FFAERN Cc1nc(-c2c[nH]c(C(=O)N[C@H]3CCc4nc(C(C)C)nn4C3)c2)cs1 ZINC000133829128 508455384 /nfs/dbraw/zinc/45/53/84/508455384.db2.gz YQVHMPVBWZCMES-ZDUSSCGKSA-N 0 0 370.482 2.906 10 0 FFAERN Cc1ccccc1[C@@H](O)CNC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000133833819 508456212 /nfs/dbraw/zinc/45/62/12/508456212.db2.gz SELCYFWFECVASP-CVEARBPZSA-N 0 0 357.458 2.578 10 0 FFAERN Cc1cc(C(=O)N2CCC(N(C)c3cccnn3)CC2)c(C)n1C1CC1 ZINC000115959286 508458554 /nfs/dbraw/zinc/45/85/54/508458554.db2.gz ZGOQRHJABRIGTI-UHFFFAOYSA-N 0 0 353.470 2.971 10 0 FFAERN Cc1ccc([C@@H](C)NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc1F ZINC000156666312 508459492 /nfs/dbraw/zinc/45/94/92/508459492.db2.gz YEJUIHYNNVEMOX-MRXNPFEDSA-N 0 0 373.476 2.846 10 0 FFAERN Cc1nc2n(n1)C[C@@H](NC(=O)/C=C/c1csc(Br)c1)CC2 ZINC000116014979 508463119 /nfs/dbraw/zinc/46/31/19/508463119.db2.gz CHFGQZCSSRQXKD-DGXRNCNBSA-N 0 0 367.272 2.555 10 0 FFAERN COc1ccc(C)nc1NC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000127531484 508464208 /nfs/dbraw/zinc/46/42/08/508464208.db2.gz AYICIINNSZMMGW-OAHLLOKOSA-N 0 0 352.398 2.736 10 0 FFAERN Cc1ccc([C@H]2CN(C(=O)CCc3nc(-c4ccco4)no3)CCO2)o1 ZINC000133919647 508468266 /nfs/dbraw/zinc/46/82/66/508468266.db2.gz CQRILOKEFWIRRW-OAHLLOKOSA-N 0 0 357.366 2.764 10 0 FFAERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000122031377 508469969 /nfs/dbraw/zinc/46/99/69/508469969.db2.gz QCNLFZQFPRDUOD-QZTJIDSGSA-N 0 0 372.538 2.980 10 0 FFAERN C[C@@H](Oc1cccc(F)c1)C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122047734 508472835 /nfs/dbraw/zinc/47/28/35/508472835.db2.gz NEVRCQPIRHNXKZ-GDBMZVCRSA-N 0 0 358.417 2.510 10 0 FFAERN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116111335 508473434 /nfs/dbraw/zinc/47/34/34/508473434.db2.gz KXMSDDAJZLWVRO-NWDGAFQWSA-N 0 0 351.809 2.996 10 0 FFAERN Cc1ccc([C@@H]2CCCCN2C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)o1 ZINC000127633886 508479891 /nfs/dbraw/zinc/47/98/91/508479891.db2.gz DTCSPEAJKGALNA-INIZCTEOSA-N 0 0 368.437 2.837 10 0 FFAERN O=C(Nc1cccc(OCC(F)F)n1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000134006044 508480109 /nfs/dbraw/zinc/48/01/09/508480109.db2.gz KDRFPLPVRHDWFY-CYBMUJFWSA-N 0 0 364.352 2.806 10 0 FFAERN COCCN1CCN(C(=O)c2ccc(Br)c(C)c2)C[C@H]1C ZINC000122095225 508480157 /nfs/dbraw/zinc/48/01/57/508480157.db2.gz IUCKJAKFUHYUJT-CYBMUJFWSA-N 0 0 355.276 2.550 10 0 FFAERN O=C(Nc1ccc(N2CCOCC2)nc1)c1cc(C2CCCCC2)[nH]n1 ZINC000127660269 508483211 /nfs/dbraw/zinc/48/32/11/508483211.db2.gz AZNYIMLBQVRRQQ-UHFFFAOYSA-N 0 0 355.442 2.941 10 0 FFAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cnc3ccc(C)cn3c2=O)C12CCCC2 ZINC000134039108 508484270 /nfs/dbraw/zinc/48/42/70/508484270.db2.gz PETACIAKVCNTBD-DLBZAZTESA-N 0 0 369.465 2.813 10 0 FFAERN 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2.970 10 0 FFAERN COc1ccc(NC(=O)N2CCCN(C)C(=O)C2)cc1Cc1ccccc1 ZINC000191846499 509210007 /nfs/dbraw/zinc/21/00/07/509210007.db2.gz UJYAIQFGWMOHBP-UHFFFAOYSA-N 0 0 367.449 2.982 10 0 FFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000248029223 509218552 /nfs/dbraw/zinc/21/85/52/509218552.db2.gz SUCMCZYYGAODJR-MFKMUULPSA-N 0 0 359.253 2.840 10 0 FFAERN COC(=O)Nc1cccc(C(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000162411040 509219648 /nfs/dbraw/zinc/21/96/48/509219648.db2.gz TYNLQCNLMINIIG-UHFFFAOYSA-N 0 0 356.426 2.693 10 0 FFAERN CCc1oc2ccccc2c1/C=C/C(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000191863448 509219689 /nfs/dbraw/zinc/21/96/89/509219689.db2.gz DZJVJMGLPIKHRD-VFNNOXKTSA-N 0 0 361.463 2.902 10 0 FFAERN O=C(NCc1cc(F)cc(F)c1)NC1CCC(O)(c2cccnc2)CC1 ZINC000185522913 509219939 /nfs/dbraw/zinc/21/99/39/509219939.db2.gz MCEYHWUJWPZNKZ-UHFFFAOYSA-N 0 0 361.392 2.989 10 0 FFAERN Cc1cnc2c(cccc2S(=O)(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000248033645 509220101 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CCCOc1ccc(CNC(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000162469842 509230815 /nfs/dbraw/zinc/23/08/15/509230815.db2.gz LXCJEBQWQISIQB-AWEZNQCLSA-N 0 0 357.458 2.964 10 0 FFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H](C)Cc3c(C)noc3C)C2)n1 ZINC000162473180 509232797 /nfs/dbraw/zinc/23/27/97/509232797.db2.gz QIESVRISONRJMS-SJKOYZFVSA-N 0 0 374.489 2.553 10 0 FFAERN C[C@@H]1CN(C(=O)C(C)(C)c2cccc(Cl)c2F)C[C@@H]1N1CCOCC1 ZINC000185556838 509236090 /nfs/dbraw/zinc/23/60/90/509236090.db2.gz HYCOHCGGTNKSKS-CJNGLKHVSA-N 0 0 368.880 2.936 10 0 FFAERN CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)CC[C@H]2CCCCO2)CC1 ZINC000191904086 509238590 /nfs/dbraw/zinc/23/85/90/509238590.db2.gz HUSIJXPHLOQZOW-QGZVFWFLSA-N 0 0 368.518 2.600 10 0 FFAERN CN1C(=O)CC[C@H](C(=O)NCCCc2ccccn2)[C@@H]1c1ccccc1 ZINC000179069411 509249382 /nfs/dbraw/zinc/24/93/82/509249382.db2.gz LZOPLJBGJBHWTB-ICSRJNTNSA-N 0 0 351.450 2.740 10 0 FFAERN CCn1cc([C@H]2CN(C(=O)Nc3nnc(CC(C)C)s3)CCO2)cn1 ZINC000191932512 509251111 /nfs/dbraw/zinc/25/11/11/509251111.db2.gz GGDGOLOHPRCARX-CYBMUJFWSA-N 0 0 364.475 2.558 10 0 FFAERN CC(C)(C)OC(=O)N1CCC[C@H]1CN(C(=O)c1ccc(C=O)[nH]1)C1CC1 ZINC000191935139 509252684 /nfs/dbraw/zinc/25/26/84/509252684.db2.gz KDJMOGPJFMGPTI-HNNXBMFYSA-N 0 0 361.442 2.831 10 0 FFAERN CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)C1 ZINC000172826127 509258645 /nfs/dbraw/zinc/25/86/45/509258645.db2.gz ATTAVLKQLMKQCT-OAHLLOKOSA-N 0 0 363.433 2.551 10 0 FFAERN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000216277035 509259949 /nfs/dbraw/zinc/25/99/49/509259949.db2.gz FMRDVMBMBILKHJ-VXGBXAGGSA-N 0 0 351.255 2.721 10 0 FFAERN CN(C)c1noc(C2CCN(C(=O)c3cccc(Cl)c3F)CC2)n1 ZINC000191952976 509259962 /nfs/dbraw/zinc/25/99/62/509259962.db2.gz PNUDTNFJFXNQSK-UHFFFAOYSA-N 0 0 352.797 2.948 10 0 FFAERN NC(=O)c1ccc(OCCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000175997095 509263747 /nfs/dbraw/zinc/26/37/47/509263747.db2.gz XOJWDXKCBQLKMD-OLZOCXBDSA-N 0 0 358.360 2.792 10 0 FFAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)O1 ZINC000248278957 509266984 /nfs/dbraw/zinc/26/69/84/509266984.db2.gz UIWRXJMFRHUIOL-JKIFEVAISA-N 0 0 366.483 2.613 10 0 FFAERN CCOc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)ccc1C ZINC000176001453 509267290 /nfs/dbraw/zinc/26/72/90/509267290.db2.gz NDAWUKIYKBUJLB-LJQANCHMSA-N 0 0 359.514 2.636 10 0 FFAERN COc1ccc(COCCCC(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000179116343 509270884 /nfs/dbraw/zinc/27/08/84/509270884.db2.gz LEMBXHXWSSGIJO-PZJWPPBQSA-N 0 0 355.434 2.767 10 0 FFAERN CC(=O)Nc1ccc(CN2CCNC(=O)[C@H]2c2ccc(F)cc2C)cc1 ZINC000185627892 509272763 /nfs/dbraw/zinc/27/27/63/509272763.db2.gz LVAABSKNOFASCO-LJQANCHMSA-N 0 0 355.413 2.766 10 0 FFAERN COc1ccc(Br)cc1CNC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000176019395 509276794 /nfs/dbraw/zinc/27/67/94/509276794.db2.gz JJWVGUVIUDASBS-RISCZKNCSA-N 0 0 371.275 2.808 10 0 FFAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(C)c3Cl)C2=O)n(C)n1 ZINC000179135292 509279094 /nfs/dbraw/zinc/27/90/94/509279094.db2.gz IPEKJJUYIPYNDU-CQSZACIVSA-N 0 0 360.845 2.616 10 0 FFAERN Cc1cc(N2CCC[C@H](NC(=O)CCCc3ccc(C)s3)C2=O)n(C)n1 ZINC000176024955 509279625 /nfs/dbraw/zinc/27/96/25/509279625.db2.gz WPYAOUIFTXVEHR-INIZCTEOSA-N 0 0 374.510 2.733 10 0 FFAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3Oc4ccccc4O[C@H]3C)CC2)nc1 ZINC000172872051 509282439 /nfs/dbraw/zinc/28/24/39/509282439.db2.gz PTYCFOHPUCOHHB-MGPUTAFESA-N 0 0 367.449 2.704 10 0 FFAERN C[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccco1)Oc1cccc(Cl)c1 ZINC000172874214 509284831 /nfs/dbraw/zinc/28/48/31/509284831.db2.gz LVGOKTUVVIZNDA-VXGBXAGGSA-N 0 0 350.802 2.635 10 0 FFAERN CSc1ccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1Cl ZINC000185650890 509285269 /nfs/dbraw/zinc/28/52/69/509285269.db2.gz XAMAFNTYVBSBIF-NSHDSACASA-N 0 0 371.915 2.974 10 0 FFAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)C2)cc1 ZINC000248408409 509302826 /nfs/dbraw/zinc/30/28/26/509302826.db2.gz FAGGNPKWVTXKJI-ZMSDIMECSA-N 0 0 371.481 2.594 10 0 FFAERN 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ZINC000223707779 729547275 /nfs/dbraw/zinc/54/72/75/729547275.db2.gz DLPNJKXOXMNEND-UHFFFAOYSA-N 0 0 367.203 2.629 10 0 FFAERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000245783010 729575829 /nfs/dbraw/zinc/57/58/29/729575829.db2.gz MJNSTWDACTVLLZ-VDERGJSUSA-N 0 0 352.475 2.801 10 0 FFAERN C[C@H]1CN(CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)CCS1 ZINC000246215192 729582687 /nfs/dbraw/zinc/58/26/87/729582687.db2.gz ZYVSZZHJSJKQCM-IFXJQAMLSA-N 0 0 359.495 2.555 10 0 FFAERN CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000246787531 729590781 /nfs/dbraw/zinc/59/07/81/729590781.db2.gz JFBLUCRBPZEBCL-HBUWYVDXSA-N 0 0 356.438 2.506 10 0 FFAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000248379757 729603146 /nfs/dbraw/zinc/60/31/46/729603146.db2.gz NURLFTDDCWREBB-AXFHLTTASA-N 0 0 367.298 2.998 10 0 FFAERN CCc1csc([C@H]2CCCN(CN3C(=O)N[C@@](C)(C4CC4)C3=O)C2)n1 ZINC000249924205 729622251 /nfs/dbraw/zinc/62/22/51/729622251.db2.gz 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C[C@@H]1OCC[C@H]1NC(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000332913796 729805238 /nfs/dbraw/zinc/80/52/38/729805238.db2.gz SKJFAHIXMIUPSX-HBNTYKKESA-N 0 0 362.352 2.588 10 0 FFAERN CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cnc(Cl)s2)C1 ZINC000779894444 738494795 /nfs/dbraw/zinc/49/47/95/738494795.db2.gz ZYPQKLXVUMQFKY-AWEZNQCLSA-N 0 0 356.904 2.799 10 0 FFAERN Cc1noc(C[C@]2(O)CCCN(Cc3ncc(Cl)cc3Cl)C2)n1 ZINC000886080004 733746654 /nfs/dbraw/zinc/74/66/54/733746654.db2.gz PHZMHFVIMYBLIQ-OAHLLOKOSA-N 0 0 357.241 2.649 10 0 FFAERN Cc1nn(C)c(NC(=O)C(=O)N2CCC[C@H]2/C=C\c2cccs2)c1C ZINC000886091135 733747949 /nfs/dbraw/zinc/74/79/49/733747949.db2.gz XQFZZHWJXGPEKT-CKXPSTMWSA-N 0 0 358.467 2.741 10 0 FFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC000702781918 734356989 /nfs/dbraw/zinc/35/69/89/734356989.db2.gz RTKVWWBADKVNAW-ZNMIVQPWSA-N 0 0 354.491 2.547 10 0 FFAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC2CCCCCC2)C1 ZINC000702782350 734357056 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Cc1cccnc1/C=C\C(=O)N[C@H](C)c1ccccc1NS(C)(=O)=O ZINC000588454797 845963840 /nfs/dbraw/zinc/96/38/40/845963840.db2.gz XCDWQLFBINECEW-IWMPZKFUSA-N 0 0 359.451 2.652 10 0 FFAERN Cc1cccnc1/C=C\C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000588453059 845963951 /nfs/dbraw/zinc/96/39/51/845963951.db2.gz WEYJNOZXUZJFKX-XZVRFQMRSA-N 0 0 355.825 2.978 10 0 FFAERN Cc1cccnc1/C=C\C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000588530070 845976624 /nfs/dbraw/zinc/97/66/24/845976624.db2.gz UYIAXIGTACQURA-FPLPWBNLSA-N 0 0 355.385 2.679 10 0 FFAERN O=S(=O)(/C=C\c1cccc(Br)c1)NC[C@@H]1CC[C@H](O)C1 ZINC000588568142 845981243 /nfs/dbraw/zinc/98/12/43/845981243.db2.gz FXPSWXDRNGTOTN-XBWLEZLWSA-N 0 0 360.273 2.500 10 0 FFAERN Cc1cc(COCC(=O)N=c2sccn2Cc2ccccc2F)on1 ZINC000588619762 845985420 /nfs/dbraw/zinc/98/54/20/845985420.db2.gz PZDFDBVCLHGARQ-UHFFFAOYSA-N 0 0 361.398 2.678 10 0 FFAERN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000724048876 944642107 /nfs/dbraw/zinc/64/21/07/944642107.db2.gz 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Cc1noc(CN2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(C(C)C)cc3)CC2)n1 ZINC000076985787 963404610 /nfs/dbraw/zinc/40/46/10/963404610.db2.gz OLANUHSJLYJUTF-MOPGFXCFSA-N 0 0 368.481 2.949 10 0 FFAERN CNC(=O)c1cncc(/C=C\C(=O)Nc2ccccc2-n2nccc2C)c1 ZINC000588427777 964389844 /nfs/dbraw/zinc/38/98/44/964389844.db2.gz CEUXCTRWNYREPX-FPLPWBNLSA-N 0 0 361.405 2.587 10 0 FFAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)C1(c2ccccc2)CCOCC1 ZINC000588434295 964634364 /nfs/dbraw/zinc/63/43/64/964634364.db2.gz CAIUAPOXSVBYNG-FPLPWBNLSA-N 0 0 374.481 2.932 10 0 FFAERN Cc1cccc([C@@H](CNC(=O)/C=C\c2ncccc2C)N2CCOCC2)c1 ZINC000588452033 965201900 /nfs/dbraw/zinc/20/19/00/965201900.db2.gz PTQMUXISMBLTLT-HEDKFQSOSA-N 0 0 365.477 2.901 10 0 FFAERN C[C@@H](NC(=O)NCc1nc2ncccn2n1)C12CC3CC(CC(C3)C1)C2 ZINC000334026980 966071946 /nfs/dbraw/zinc/07/19/46/966071946.db2.gz HUDYSLMFSUWAML-XUXNNNHQSA-N 0 0 354.458 2.528 10 0 FFAERN CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cnc2ccccn2c1=O ZINC000152198463 966225411 /nfs/dbraw/zinc/22/54/11/966225411.db2.gz 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O=C(N[C@@H](CC1CCCCC1)c1ccccc1)C1CC2(C1)NC(=O)NC2=O ZINC000156760882 508472966 /nfs/dbraw/zinc/47/29/66/508472966.db2.gz YKECXSWSZLOCAG-BATSVXPKSA-N 0 0 369.465 2.803 10 0 FFAERN Cn1cc([C@@H]2CCN(C(=O)c3ccc(Br)cc3F)C2)cn1 ZINC000116120971 508474911 /nfs/dbraw/zinc/47/49/11/508474911.db2.gz CHXMECRFSYTAFY-SNVBAGLBSA-N 0 0 352.207 2.951 10 0 FFAERN C[C@]1(c2ccccc2)CN(C(=O)/C=C/c2ccc(C(N)=O)cc2)CCO1 ZINC000156784661 508477399 /nfs/dbraw/zinc/47/73/99/508477399.db2.gz PFPACLLFHVWDPT-VZOQVYJPSA-N 0 0 350.418 2.573 10 0 FFAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1csc(C(C)(C)C)n1)CC2 ZINC000133988548 508477857 /nfs/dbraw/zinc/47/78/57/508477857.db2.gz NYDZBHRHVRXSTK-LBPRGKRZSA-N 0 0 361.515 2.829 10 0 FFAERN CCc1c(C(=O)N2CCC[C@H](Cn3cncn3)C2)cnn1-c1ccccc1 ZINC000127632242 508479864 /nfs/dbraw/zinc/47/98/64/508479864.db2.gz QQJCDHKDLITYCM-INIZCTEOSA-N 0 0 364.453 2.579 10 0 FFAERN CN(C(=O)c1cc(-c2ccccc2)no1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122139325 508487874 /nfs/dbraw/zinc/48/78/74/508487874.db2.gz NJWACGCAOPCXPN-MRXNPFEDSA-N 0 0 363.421 2.873 10 0 FFAERN Cc1cc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)c(Cl)cc1F ZINC000122146814 508488595 /nfs/dbraw/zinc/48/85/95/508488595.db2.gz SYIOICKHJSQVHS-LBPRGKRZSA-N 0 0 357.838 2.837 10 0 FFAERN CCOc1cc(/C=C/C(=O)N2CC[C@@H](c3cnn(C)c3)C2)ccc1OC ZINC000116229234 508489247 /nfs/dbraw/zinc/48/92/47/508489247.db2.gz LROJMOAHUPKQCE-IQIBNGDESA-N 0 0 355.438 2.857 10 0 FFAERN CCOc1cc(CN2CCO[C@H](Cn3cccn3)C2)cc(Cl)c1OC ZINC000122150041 508489307 /nfs/dbraw/zinc/48/93/07/508489307.db2.gz RVRVJCINCWMWDL-HNNXBMFYSA-N 0 0 365.861 2.845 10 0 FFAERN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116230504 508489972 /nfs/dbraw/zinc/48/99/72/508489972.db2.gz NBOGFIHTQJJEFV-DZKIICNBSA-N 0 0 364.490 2.675 10 0 FFAERN COc1ccc(Cl)cc1NCCC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116229408 508489980 /nfs/dbraw/zinc/48/99/80/508489980.db2.gz SIPKAOVBGFHVLW-CYBMUJFWSA-N 0 0 362.861 2.900 10 0 FFAERN Cc1noc([C@H](C)N2CCN(Cc3noc(-c4ccccc4C)n3)CC2)n1 ZINC000127713439 508489953 /nfs/dbraw/zinc/48/99/53/508489953.db2.gz YSLKIWSWBPSGLA-AWEZNQCLSA-N 0 0 368.441 2.615 10 0 FFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc(-c3ccc(F)cc3)on1)CC2 ZINC000122159854 508490950 /nfs/dbraw/zinc/49/09/50/508490950.db2.gz MQRWIULKCVYNHJ-CQSZACIVSA-N 0 0 369.400 2.940 10 0 FFAERN Fc1cc(-c2ccncc2)ccc1CN1CCO[C@H](Cn2cccn2)C1 ZINC000122164728 508491210 /nfs/dbraw/zinc/49/12/10/508491210.db2.gz AUUBOBVKCPOPPZ-IBGZPJMESA-N 0 0 352.413 2.985 10 0 FFAERN COC(=O)c1ccc2c(c1)nc(CN1CCC[C@H]1c1ccco1)[nH]c2=O ZINC000116299021 508495646 /nfs/dbraw/zinc/49/56/46/508495646.db2.gz KQOADIWOUSZKON-HNNXBMFYSA-N 0 0 353.378 2.640 10 0 FFAERN O=C(CN1CCC[C@H]1c1ccco1)NCc1ccccc1Cn1cccn1 ZINC000116290816 508495863 /nfs/dbraw/zinc/49/58/63/508495863.db2.gz JQBFZWMOVLGJAL-IBGZPJMESA-N 0 0 364.449 2.978 10 0 FFAERN C[C@H](C(=O)N1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000156917068 508496297 /nfs/dbraw/zinc/49/62/97/508496297.db2.gz DZIQQHCLKJRTKQ-SMDDNHRTSA-N 0 0 353.260 2.632 10 0 FFAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000134125818 508496541 /nfs/dbraw/zinc/49/65/41/508496541.db2.gz XNZUVLKATHHGBH-MRXNPFEDSA-N 0 0 372.517 2.545 10 0 FFAERN CN(C(=O)C1(c2cccc(F)c2)CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122198277 508496794 /nfs/dbraw/zinc/49/67/94/508496794.db2.gz LHRZWPDNAQQDON-KRWDZBQOSA-N 0 0 354.429 2.775 10 0 FFAERN COc1cc(Cl)c(C)cc1NC(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116311002 508497024 /nfs/dbraw/zinc/49/70/24/508497024.db2.gz VYKMKEGKRNXVPJ-ZDUSSCGKSA-N 0 0 362.861 2.819 10 0 FFAERN Cc1ccc([C@H]2CN(C(=O)c3cccc(CN4CCCC4=O)c3)CCO2)o1 ZINC000134137768 508498394 /nfs/dbraw/zinc/49/83/94/508498394.db2.gz CRPYABLYCVZRBH-LJQANCHMSA-N 0 0 368.433 2.924 10 0 FFAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)C3CCN(C(=O)N(C)C)CC3)C2)cc1 ZINC000122212900 508499810 /nfs/dbraw/zinc/49/98/10/508499810.db2.gz FRDUEMLVCFQIOA-QAPCUYQASA-N 0 0 373.497 2.793 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cnn([C@@H](C)CC)c1C1CC1)CC2 ZINC000127821117 508505298 /nfs/dbraw/zinc/50/52/98/508505298.db2.gz PFESPTGEASYYLZ-JSGCOSHPSA-N 0 0 356.474 2.630 10 0 FFAERN C[C@@H](CNC(=O)N1CCC[C@H](c2nccs2)C1)CC1(C)OCCO1 ZINC000152742179 508506421 /nfs/dbraw/zinc/50/64/21/508506421.db2.gz MFNDERLYDPAGQO-KGLIPLIRSA-N 0 0 353.488 2.821 10 0 FFAERN Cc1nc(CN2CCCN(C(=O)NOCc3ccccc3)CC2)cs1 ZINC000116415009 508509281 /nfs/dbraw/zinc/50/92/81/508509281.db2.gz JMDIIGBZABTPRU-UHFFFAOYSA-N 0 0 360.483 2.801 10 0 FFAERN COc1ccc(OC)c([C@H](C)NC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116413599 508509506 /nfs/dbraw/zinc/50/95/06/508509506.db2.gz QFBRCUUEGYIVPU-KBPBESRZSA-N 0 0 358.442 2.697 10 0 FFAERN Cn1cc([C@@H]2CCN(C(=O)NCc3ccc(OC4CCCC4)nc3)C2)cn1 ZINC000116419895 508511251 /nfs/dbraw/zinc/51/12/51/508511251.db2.gz KNRHVHPIVXWFLD-MRXNPFEDSA-N 0 0 369.469 2.836 10 0 FFAERN Cc1noc([C@@H]2COCCN2C(=O)CCOc2ccccc2C(C)C)n1 ZINC000152770521 508512527 /nfs/dbraw/zinc/51/25/27/508512527.db2.gz ALVFTCWNFGKCPM-INIZCTEOSA-N 0 0 359.426 2.870 10 0 FFAERN Cn1cc([C@H]2CCN(C(=O)c3ccc(-n4cnc5ccccc54)nc3)C2)cn1 ZINC000157039647 508514024 /nfs/dbraw/zinc/51/40/24/508514024.db2.gz YIGUEHXBOJINHF-INIZCTEOSA-N 0 0 372.432 2.784 10 0 FFAERN O=C(CNC(=O)c1ccccc1OC(F)F)N1CCC[C@@H]1c1ccco1 ZINC000116453467 508516791 /nfs/dbraw/zinc/51/67/91/508516791.db2.gz ZUVJUZJLRVOGBR-CYBMUJFWSA-N 0 0 364.348 2.975 10 0 FFAERN O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000116453736 508516864 /nfs/dbraw/zinc/51/68/64/508516864.db2.gz HHGCBNMPKSGZSM-JMPLCFMRSA-N 0 0 374.462 2.924 10 0 FFAERN Cc1cnn(C[C@H]2CN(Cc3cn(-c4ccccc4)nc3C)CCO2)c1 ZINC000122367047 508523406 /nfs/dbraw/zinc/52/34/06/508523406.db2.gz DIZJBCHYVVVFPQ-HXUWFJFHSA-N 0 0 351.454 2.587 10 0 FFAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2cnc(C(C)(C)C)s2)C1 ZINC000134363014 508524175 /nfs/dbraw/zinc/52/41/75/508524175.db2.gz YRJHWORLVFMHBK-GXTWGEPZSA-N 0 0 362.499 2.760 10 0 FFAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000134373768 508525995 /nfs/dbraw/zinc/52/59/95/508525995.db2.gz BIBGDPYJHGKLDJ-WMLDXEAASA-N 0 0 359.495 2.946 10 0 FFAERN CN(C(=O)CCOCc1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122430269 508533842 /nfs/dbraw/zinc/53/38/42/508533842.db2.gz NIPHZOHHADVHTD-SFHVURJKSA-N 0 0 354.454 2.511 10 0 FFAERN C[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)c1ccncc1 ZINC000122434193 508534299 /nfs/dbraw/zinc/53/42/99/508534299.db2.gz PSVIAARDXSQXQX-CQSZACIVSA-N 0 0 372.856 2.850 10 0 FFAERN CCC[C@H](NC(=O)C(=O)Nc1cccc(F)c1C)C(=O)OC(C)(C)C ZINC000153003104 508538813 /nfs/dbraw/zinc/53/88/13/508538813.db2.gz CSQVDIGBAZCVNX-AWEZNQCLSA-N 0 0 352.406 2.699 10 0 FFAERN Cc1cccc(N2CCC(NC(=O)c3cnc(C(F)(F)F)nc3)CC2)n1 ZINC000157224563 508539564 /nfs/dbraw/zinc/53/95/64/508539564.db2.gz OUNZSJBDBHVYIE-UHFFFAOYSA-N 0 0 365.359 2.598 10 0 FFAERN C[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C[C@@H](C)O1 ZINC000157230087 508540203 /nfs/dbraw/zinc/54/02/03/508540203.db2.gz XHYDREQOXXEQGN-VXGBXAGGSA-N 0 0 364.243 2.884 10 0 FFAERN O=C(c1ccc(C2N=NC(=S)O2)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128062561 508542686 /nfs/dbraw/zinc/54/26/86/508542686.db2.gz WJBBWCZABABESY-RDTXWAMCSA-N 0 0 359.451 2.793 10 0 FFAERN CCCC(=O)N1CCCC[C@H]1C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116667342 508543838 /nfs/dbraw/zinc/54/38/38/508543838.db2.gz YNLWABLSNGHCTL-SFHVURJKSA-N 0 0 372.513 2.656 10 0 FFAERN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1C[C@@H]1C1CCCCC1)CC2 ZINC000153066906 508544537 /nfs/dbraw/zinc/54/45/37/508544537.db2.gz ZEAXZOGRUVOLEX-SJORKVTESA-N 0 0 362.495 2.700 10 0 FFAERN CC(C)C(=O)NCCCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000128126717 508551078 /nfs/dbraw/zinc/55/10/78/508551078.db2.gz DRIPQJSTRXDXPW-CQSZACIVSA-N 0 0 359.392 2.622 10 0 FFAERN Cc1cc(C)n(C[C@H]2CN(Cc3c[nH]nc3-c3ccc(C)o3)CCO2)n1 ZINC000122543793 508552282 /nfs/dbraw/zinc/55/22/82/508552282.db2.gz UBGVXRJVEALLOV-QGZVFWFLSA-N 0 0 355.442 2.692 10 0 FFAERN Cc1nnc([C@@H](NC(=O)c2cccc(-n3cccn3)c2)c2ccccc2)[nH]1 ZINC000116747803 508554178 /nfs/dbraw/zinc/55/41/78/508554178.db2.gz ZEHOKDZJIAQIKJ-SFHVURJKSA-N 0 0 358.405 2.818 10 0 FFAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(C)ccc3N3CCCC3)CCO2)c1 ZINC000116760714 508556068 /nfs/dbraw/zinc/55/60/68/508556068.db2.gz PYXBREMNNKYONO-GOSISDBHSA-N 0 0 368.481 2.641 10 0 FFAERN CCOCCN1CCN(C(=O)c2cnn(C(C)(C)C)c2C)C[C@@H]1CC ZINC000116769934 508558478 /nfs/dbraw/zinc/55/84/78/508558478.db2.gz LQSOADHOAAPEJG-INIZCTEOSA-N 0 0 350.507 2.519 10 0 FFAERN CCOCCN1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)C[C@H]1CC ZINC000116769741 508558499 /nfs/dbraw/zinc/55/84/99/508558499.db2.gz SZCIWIUGLWIHGV-QGZVFWFLSA-N 0 0 364.486 2.585 10 0 FFAERN CCOCCN1CCN(C(=O)c2cnn(-c3ccccc3)c2C)C[C@@H]1CC ZINC000116770153 508558685 /nfs/dbraw/zinc/55/86/85/508558685.db2.gz MKDGJTGBSKNCQJ-SFHVURJKSA-N 0 0 370.497 2.754 10 0 FFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C(=O)c3ccc(Cl)cc3)C2)n1 ZINC000116779213 508559737 /nfs/dbraw/zinc/55/97/37/508559737.db2.gz HGMAQWZTOOIEEK-CQSZACIVSA-N 0 0 360.845 2.670 10 0 FFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccc(Br)o3)C2)n1 ZINC000116776348 508559851 /nfs/dbraw/zinc/55/98/51/508559851.db2.gz UAFWTJBBMLTFKD-LBPRGKRZSA-N 0 0 367.247 2.803 10 0 FFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc(F)cc4nccnc43)C2)n1 ZINC000116776853 508560152 /nfs/dbraw/zinc/56/01/52/508560152.db2.gz USPMEKAMLKSHCT-CQSZACIVSA-N 0 0 368.416 2.530 10 0 FFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc(Br)c[nH]3)C2)n1 ZINC000116782551 508560399 /nfs/dbraw/zinc/56/03/99/508560399.db2.gz UYJHLIOWFFTUBO-LBPRGKRZSA-N 0 0 366.263 2.538 10 0 FFAERN Cc1cccc(N2CCC(NC(=O)N3CC[C@@H](OCC(C)C)C3)CC2)n1 ZINC000157396492 508561357 /nfs/dbraw/zinc/56/13/57/508561357.db2.gz WMMYPBARJWXKRW-GOSISDBHSA-N 0 0 360.502 2.815 10 0 FFAERN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2cc(CCOC)nn2C)C12CCCC2 ZINC000128206571 508562819 /nfs/dbraw/zinc/56/28/19/508562819.db2.gz KWBLOPWQLQBMAL-CVEARBPZSA-N 0 0 364.490 2.811 10 0 FFAERN O=C(CNC(=O)COc1ccccc1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153241151 508562885 /nfs/dbraw/zinc/56/28/85/508562885.db2.gz 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COc1ccc(NC(C)=O)cc1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000151668070 509062627 /nfs/dbraw/zinc/06/26/27/509062627.db2.gz GXUQGAIPZPYXAS-UHFFFAOYSA-N 0 0 371.441 2.794 10 0 FFAERN c1ccc(-c2nsc(NCCNc3nnnn3-c3ccccc3)n2)cc1 ZINC000126124582 509065344 /nfs/dbraw/zinc/06/53/44/509065344.db2.gz XEWZYEFNPAMKRQ-UHFFFAOYSA-N 0 0 364.438 2.705 10 0 FFAERN C[C@H]1CN(C(=O)c2cnc3c(cnn3C)c2O)CC[C@@H]1c1ccccc1 ZINC000132769199 509072569 /nfs/dbraw/zinc/07/25/69/509072569.db2.gz QCYGQKMEHSFWCU-ZFWWWQNUSA-N 0 0 350.422 2.940 10 0 FFAERN CCn1nccc1/C=C/C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000132775312 509073552 /nfs/dbraw/zinc/07/35/52/509073552.db2.gz BZCXSIGDKGPYHT-IJDCCNJMSA-N 0 0 355.373 2.653 10 0 FFAERN O=C(c1cc(F)c(F)cc1Cl)N1CCC(c2ccnn2CCO)CC1 ZINC000126268104 509075824 /nfs/dbraw/zinc/07/58/24/509075824.db2.gz QJEURWFXUMTRTK-UHFFFAOYSA-N 0 0 369.799 2.827 10 0 FFAERN CCCCCn1nc(C(=O)NC[C@H]2CCCC[C@H]2O)c2ccccc2c1=O ZINC000155820547 509076875 /nfs/dbraw/zinc/07/68/75/509076875.db2.gz FGCPWDODDAAPFY-CRAIPNDOSA-N 0 0 371.481 2.868 10 0 FFAERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000151755515 509077207 /nfs/dbraw/zinc/07/72/07/509077207.db2.gz VTSAGIHGUQBUKS-OKYOBFRVSA-N 0 0 370.493 2.823 10 0 FFAERN COC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000155834001 509078760 /nfs/dbraw/zinc/07/87/60/509078760.db2.gz ZKVACZFPOYJOMP-CYBMUJFWSA-N 0 0 374.359 2.722 10 0 FFAERN COCCOc1cc(C)ccc1CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000151766525 509079368 /nfs/dbraw/zinc/07/93/68/509079368.db2.gz LAZKRVLQZSEHOF-UHFFFAOYSA-N 0 0 372.469 2.833 10 0 FFAERN O=C(NCCCc1ccccc1)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000151769647 509079987 /nfs/dbraw/zinc/07/99/87/509079987.db2.gz DDDJGHNTIRMTDY-IBGZPJMESA-N 0 0 351.450 2.825 10 0 FFAERN Cc1nn(C(F)F)c(C)c1CC(=O)N1CCC(Cn2cccn2)CC1 ZINC000126334065 509080861 /nfs/dbraw/zinc/08/08/61/509080861.db2.gz QIHWNGUZEUZAMM-UHFFFAOYSA-N 0 0 351.401 2.573 10 0 FFAERN O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)N1CCOC2(CCOCC2)C1 ZINC000151811953 509087823 /nfs/dbraw/zinc/08/78/23/509087823.db2.gz ULBGKUNQRIVRKD-RTBURBONSA-N 0 0 374.481 2.715 10 0 FFAERN O=C(Nc1cnn(CC(F)(F)F)c1)N1CCC(Cn2cccn2)CC1 ZINC000151834422 509092794 /nfs/dbraw/zinc/09/27/94/509092794.db2.gz UMJFRIDHITVTGF-UHFFFAOYSA-N 0 0 356.352 2.586 10 0 FFAERN C[C@@H](NC(=O)N1CCOC2(CCOCC2)C1)c1cccc(-n2ccnc2)c1 ZINC000120954893 509096526 /nfs/dbraw/zinc/09/65/26/509096526.db2.gz IEXXXVPRZNZNOJ-MRXNPFEDSA-N 0 0 370.453 2.524 10 0 FFAERN CC(C)n1nnnc1CSc1ncnc2c1cnn2Cc1ccccc1 ZINC000126565297 509096511 /nfs/dbraw/zinc/09/65/11/509096511.db2.gz CCMZBPCIBRUOBK-UHFFFAOYSA-N 0 0 366.454 2.734 10 0 FFAERN CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120959925 509097767 /nfs/dbraw/zinc/09/77/67/509097767.db2.gz WPTMUWPFXDEBPX-LBPRGKRZSA-N 0 0 356.875 2.762 10 0 FFAERN Cc1ccc(I)cc1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000152012885 509129559 /nfs/dbraw/zinc/12/95/59/509129559.db2.gz BXTDWBNXRMXIQU-OLZOCXBDSA-N 0 0 359.207 2.633 10 0 FFAERN Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126606401 509101372 /nfs/dbraw/zinc/10/13/72/509101372.db2.gz KCDJHYAQTPIETR-OAHLLOKOSA-N 0 0 351.410 2.794 10 0 FFAERN CCc1cccc2c(CC(=O)N3CCC[C@H](Cn4cncn4)C3)c[nH]c21 ZINC000126605674 509101517 /nfs/dbraw/zinc/10/15/17/509101517.db2.gz BJDDSCBEFCJDMB-HNNXBMFYSA-N 0 0 351.454 2.803 10 0 FFAERN COc1cc(C)ccc1CNC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000155982196 509104612 /nfs/dbraw/zinc/10/46/12/509104612.db2.gz DWXHDCVPAIQKNW-QGZVFWFLSA-N 0 0 371.485 2.834 10 0 FFAERN O=C(c1cccc(-c2nc[nH]n2)c1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000155994772 509106596 /nfs/dbraw/zinc/10/65/96/509106596.db2.gz MRPOVNHZAJDOFU-JKSUJKDBSA-N 0 0 352.394 2.793 10 0 FFAERN Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2O)c1NC(=O)c1ccncc1 ZINC000151911967 509109200 /nfs/dbraw/zinc/10/92/00/509109200.db2.gz XVEXGRRMKLFYNF-DLBZAZTESA-N 0 0 353.422 2.676 10 0 FFAERN CCOc1ccccc1OC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151936042 509113744 /nfs/dbraw/zinc/11/37/44/509113744.db2.gz SFGWMJXXOHPUBZ-UHFFFAOYSA-N 0 0 354.406 2.938 10 0 FFAERN Cc1cnn(CCNC(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)c1 ZINC000151944476 509115758 /nfs/dbraw/zinc/11/57/58/509115758.db2.gz CGGUVWVXYDCTQT-UHFFFAOYSA-N 0 0 365.437 2.532 10 0 FFAERN Cc1c(NC(=O)N[C@@H]2CCc3ncnn3C2)cnn1-c1cc(C)ccc1C ZINC000133114338 509118407 /nfs/dbraw/zinc/11/84/07/509118407.db2.gz OOHDVJXJGFLODX-OAHLLOKOSA-N 0 0 365.441 2.526 10 0 FFAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000121058233 509119932 /nfs/dbraw/zinc/11/99/32/509119932.db2.gz DYHQBJJQQXZGHS-HZSPNIEDSA-N 0 0 359.396 2.821 10 0 FFAERN COCCOCCS(=O)(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000152004475 509128036 /nfs/dbraw/zinc/12/80/36/509128036.db2.gz JLVIDZKUSFEHES-VIFPVBQESA-N 0 0 374.261 2.776 10 0 FFAERN C[C@@H](NC(=O)Nc1cncc(Br)c1)c1nnc2n1CCCC2 ZINC000126797513 509129992 /nfs/dbraw/zinc/12/99/92/509129992.db2.gz SFVORYGAGMZUTA-SECBINFHSA-N 0 0 365.235 2.655 10 0 FFAERN Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3CO)cc2)cc1 ZINC000121110972 509130518 /nfs/dbraw/zinc/13/05/18/509130518.db2.gz LNEOZKLEDHKLDI-MRXNPFEDSA-N 0 0 354.406 2.709 10 0 FFAERN CCC[C@H](NC(=O)c1ccc(-n2cncn2)cc1C)C(=O)OC(C)(C)C ZINC000161592418 509133472 /nfs/dbraw/zinc/13/34/72/509133472.db2.gz IAIPTZXSVGQKSZ-INIZCTEOSA-N 0 0 358.442 2.816 10 0 FFAERN CN(C)c1ccccc1NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000133271839 509140584 /nfs/dbraw/zinc/14/05/84/509140584.db2.gz CFJLZPSXRPHWPM-HNNXBMFYSA-N 0 0 354.458 2.675 10 0 FFAERN O=C(Nc1ccc(-c2cnco2)cc1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000133268704 509140726 /nfs/dbraw/zinc/14/07/26/509140726.db2.gz XRXFOZDWWHMKPR-QGZVFWFLSA-N 0 0 360.377 2.751 10 0 FFAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161692328 509144922 /nfs/dbraw/zinc/14/49/22/509144922.db2.gz ZZNIUILVIKNGMK-ZFWWWQNUSA-N 0 0 359.451 2.858 10 0 FFAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(F)cc(C(F)(F)F)c2)n1 ZINC000121181308 509145917 /nfs/dbraw/zinc/14/59/17/509145917.db2.gz RNAXNRFEWBIKBT-LBPRGKRZSA-N 0 0 359.279 2.750 10 0 FFAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000121185320 509146436 /nfs/dbraw/zinc/14/64/36/509146436.db2.gz DGPZXWDSOLKZSF-VLQPXKRTSA-N 0 0 358.482 2.905 10 0 FFAERN C[C@H](NC(=O)c1ccc(-n2cncn2)nc1)c1cccc(Br)c1 ZINC000121198086 509148343 /nfs/dbraw/zinc/14/83/43/509148343.db2.gz BIHUSBOZSDUTDZ-NSHDSACASA-N 0 0 372.226 2.916 10 0 FFAERN CCCOc1cccc(CC(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)c1 ZINC000121198704 509149073 /nfs/dbraw/zinc/14/90/73/509149073.db2.gz IZBFOCXQLVNAJL-OAHLLOKOSA-N 0 0 372.469 2.615 10 0 FFAERN Cc1ccc([C@H]2CN(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCO2)o1 ZINC000133341547 509149538 /nfs/dbraw/zinc/14/95/38/509149538.db2.gz PAGRDORODSNQHD-GDBMZVCRSA-N 0 0 364.442 2.745 10 0 FFAERN C[C@H](NC(=O)NCCCC(=O)NC1CC1)c1ccccc1Br ZINC000126966534 509153239 /nfs/dbraw/zinc/15/32/39/509153239.db2.gz PMYOGWSNVBZIQB-NSHDSACASA-N 0 0 368.275 2.868 10 0 FFAERN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)C[C@H](O)C(C)C ZINC000161851523 509158294 /nfs/dbraw/zinc/15/82/94/509158294.db2.gz OCVYKNNDRKAJRP-AWEZNQCLSA-N 0 0 356.850 2.509 10 0 FFAERN CC(C)[C@H](O)CC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000156317582 509159469 /nfs/dbraw/zinc/15/94/69/509159469.db2.gz HJUJQHMZZOVADF-GOSISDBHSA-N 0 0 361.486 2.847 10 0 FFAERN O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@H]1CCCC[C@H]1O ZINC000121268150 509160450 /nfs/dbraw/zinc/16/04/50/509160450.db2.gz MIJHXCBBLNRGMB-QMTHXVAHSA-N 0 0 352.283 2.964 10 0 FFAERN O=C([C@H]1OCCc2ccccc21)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000162125792 509173296 /nfs/dbraw/zinc/17/32/96/509173296.db2.gz XUJDYBMMHKRSFW-MJGOQNOKSA-N 0 0 366.465 2.982 10 0 FFAERN O=c1[nH]c(CCN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)nc2ccccc12 ZINC000121552227 509178384 /nfs/dbraw/zinc/17/83/84/509178384.db2.gz JSKXCCFHLRMXHC-FZKQIMNGSA-N 0 0 371.387 2.552 10 0 FFAERN CON(C)C(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000175855365 509181620 /nfs/dbraw/zinc/18/16/20/509181620.db2.gz YVUZXEPRMVBSIY-DLBZAZTESA-N 0 0 371.441 2.822 10 0 FFAERN CC[C@@H](NC(=O)NCc1cccnc1-n1cncn1)c1cc(F)ccc1F ZINC000172695626 509184901 /nfs/dbraw/zinc/18/49/01/509184901.db2.gz XAFGAPKSNWWBGY-MRXNPFEDSA-N 0 0 372.379 2.891 10 0 FFAERN CSc1ccccc1NC(=O)[C@@H](C)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000247879081 509185111 /nfs/dbraw/zinc/18/51/11/509185111.db2.gz ZCBMEBGPKYULBG-CVEARBPZSA-N 0 0 374.510 2.641 10 0 FFAERN C[C@H](C[C@@H](O)c1cccs1)NC(=O)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000178926652 509185663 /nfs/dbraw/zinc/18/56/63/509185663.db2.gz JQPZSCAXSHVZCE-XNRPHZJLSA-N 0 0 373.478 2.985 10 0 FFAERN CCn1cc(C2CCN(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)CC2)cn1 ZINC000175866214 509186347 /nfs/dbraw/zinc/18/63/47/509186347.db2.gz ZAQTUBCLYFXSNY-AWEZNQCLSA-N 0 0 372.517 2.774 10 0 FFAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)c(C)o1 ZINC000175864300 509186810 /nfs/dbraw/zinc/18/68/10/509186810.db2.gz VASKJAUOMASWOO-QMMMGPOBSA-N 0 0 374.821 2.780 10 0 FFAERN CC[C@@H](Oc1ccccc1C)C(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000191803106 509189397 /nfs/dbraw/zinc/18/93/97/509189397.db2.gz PSAZHWKWCUSFCI-IEBWSBKVSA-N 0 0 357.454 2.969 10 0 FFAERN COc1cccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c1OC ZINC000247916011 509190793 /nfs/dbraw/zinc/19/07/93/509190793.db2.gz MPMZSAGKPTXLMM-OAHLLOKOSA-N 0 0 370.453 2.999 10 0 FFAERN CCOc1ccc(Br)cc1NC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178939497 509193366 /nfs/dbraw/zinc/19/33/66/509193366.db2.gz NEDGMXRMWTVVSY-CYBMUJFWSA-N 0 0 372.263 2.740 10 0 FFAERN Cc1sc2nc([C@H](C)N3CCC[C@@H](Cn4cncn4)C3)nc(N)c2c1C ZINC000247927506 509193754 /nfs/dbraw/zinc/19/37/54/509193754.db2.gz ZZOJEHYWWNHQPJ-GXTWGEPZSA-N 0 0 371.514 2.955 10 0 FFAERN O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000188651977 509194461 /nfs/dbraw/zinc/19/44/61/509194461.db2.gz WQVJLQNYGHAFAY-ACJLOTCBSA-N 0 0 360.845 2.688 10 0 FFAERN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCC(c3ccnn3C)CC2)c1 ZINC000195501743 509195531 /nfs/dbraw/zinc/19/55/31/509195531.db2.gz NWGCVBYFRYHHBG-CQSZACIVSA-N 0 0 369.469 2.585 10 0 FFAERN 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O=C(NCc1cccc(Cn2cccn2)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000163887747 509437366 /nfs/dbraw/zinc/43/73/66/509437366.db2.gz HQVPLRUPWFQUMJ-FPOVZHCZSA-N 0 0 368.481 2.768 10 0 FFAERN O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000176312292 509437968 /nfs/dbraw/zinc/43/79/68/509437968.db2.gz FVKKHNGMQXDVHK-OAHLLOKOSA-N 0 0 351.374 2.542 10 0 FFAERN CCn1cc([C@H]2CN(C(=O)Nc3cnn(-c4ccccc4)c3)CCO2)cn1 ZINC000192273342 509438818 /nfs/dbraw/zinc/43/88/18/509438818.db2.gz GVIGCKPITLFDES-GOSISDBHSA-N 0 0 366.425 2.694 10 0 FFAERN COc1cccc(CNC(=O)CN2CC3(CCOCC3)c3ccccc32)c1 ZINC000192279864 509441478 /nfs/dbraw/zinc/44/14/78/509441478.db2.gz QRBJZQLIXPZSRL-UHFFFAOYSA-N 0 0 366.461 2.880 10 0 FFAERN CCOc1cc(Cl)ccc1C(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000182820653 509441787 /nfs/dbraw/zinc/44/17/87/509441787.db2.gz HXRSTGXGAXTXAM-CYBMUJFWSA-N 0 0 351.790 2.644 10 0 FFAERN C[C@@H](NC(=O)NCC1CCC2(CC1)OCCO2)[C@@H]1COc2ccccc21 ZINC000192291675 509446085 /nfs/dbraw/zinc/44/60/85/509446085.db2.gz QBJKSXHKGNHPPQ-PBHICJAKSA-N 0 0 360.454 2.784 10 0 FFAERN CCO[C@H]1C[C@H](NC(=O)NCC(C)(C)c2ccncc2)C12CCOCC2 ZINC000185954394 509446080 /nfs/dbraw/zinc/44/60/80/509446080.db2.gz KUYFIWXQXOCGPZ-IRXDYDNUSA-N 0 0 361.486 2.633 10 0 FFAERN COc1cccc(-c2nsc(NC(=O)NC[C@@H]3CCCC[C@@H]3O)n2)c1 ZINC000182843008 509454665 /nfs/dbraw/zinc/45/46/65/509454665.db2.gz AXXYYRPLZMXSDR-JSGCOSHPSA-N 0 0 362.455 2.886 10 0 FFAERN CC(C)C1(CNC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)CC1 ZINC000176353935 509461692 /nfs/dbraw/zinc/46/16/92/509461692.db2.gz JVJHWWQPGQLPFG-UHFFFAOYSA-N 0 0 361.490 2.601 10 0 FFAERN CCCCS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H]2CCCN2CC)cc1 ZINC000192327060 509464749 /nfs/dbraw/zinc/46/47/49/509464749.db2.gz RCCXNNMWUPYIPG-KRWDZBQOSA-N 0 0 366.527 2.817 10 0 FFAERN COc1ccc(O[C@@H](C)CNC(=O)N2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000176369084 509470094 /nfs/dbraw/zinc/47/00/94/509470094.db2.gz XSLGFGPSESJQFU-DOTOQJQBSA-N 0 0 372.469 2.842 10 0 FFAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H](C)COCc1ccccc1 ZINC000176373014 509471791 /nfs/dbraw/zinc/47/17/91/509471791.db2.gz UKPOKYQLMGOULM-APWZRJJASA-N 0 0 356.470 2.971 10 0 FFAERN CNC(=O)c1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000164236695 509478574 /nfs/dbraw/zinc/47/85/74/509478574.db2.gz HBXZWXMXMSNDPA-SGTLLEGYSA-N 0 0 365.861 2.859 10 0 FFAERN CCCn1c(C)c(C(=O)N2CCCNC(=O)[C@H]2C)c2cc(OC)ccc21 ZINC000189239506 509478827 /nfs/dbraw/zinc/47/88/27/509478827.db2.gz UGYDIRYUTRJPQK-CQSZACIVSA-N 0 0 357.454 2.719 10 0 FFAERN COc1ccc(C(=O)N[C@H](C(=O)N2CCSCC[C@H]2C)C(C)C)cc1 ZINC000192356522 509479381 /nfs/dbraw/zinc/47/93/81/509479381.db2.gz XXGRAHKKHIRZKO-PBHICJAKSA-N 0 0 364.511 2.804 10 0 FFAERN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000248778182 509480987 /nfs/dbraw/zinc/48/09/87/509480987.db2.gz PTYCYQSUPNJQEL-ZIFCJYIRSA-N 0 0 368.433 2.882 10 0 FFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCc2cccc(Cl)c2)C1 ZINC000192365727 509485698 /nfs/dbraw/zinc/48/56/98/509485698.db2.gz CJBGGTPSYWZKSX-LSDHHAIUSA-N 0 0 364.833 2.746 10 0 FFAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000189267563 509493197 /nfs/dbraw/zinc/49/31/97/509493197.db2.gz NVSWLHCRRMMTKQ-WBMJQRKESA-N 0 0 356.388 2.942 10 0 FFAERN CCN(CC(=O)OC(C)(C)C)C1CCN(C(=O)N[C@H]2CC=CCC2)CC1 ZINC000192381188 509494686 /nfs/dbraw/zinc/49/46/86/509494686.db2.gz UMGKWHRXSRHUGM-INIZCTEOSA-N 0 0 365.518 2.933 10 0 FFAERN C[C@H](NC(=O)N1CCSC[C@@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000192383560 509496104 /nfs/dbraw/zinc/49/61/04/509496104.db2.gz NTTPCAWETIEEFD-RYUDHWBXSA-N 0 0 374.503 2.685 10 0 FFAERN COc1ccccc1NCC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176419423 509499297 /nfs/dbraw/zinc/49/92/97/509499297.db2.gz KBCAMDIPAGQCBV-INIZCTEOSA-N 0 0 369.469 2.789 10 0 FFAERN Cc1cc(C)n(C[C@H]2CN(Cc3c[nH]c(-c4ccccc4)n3)CCO2)n1 ZINC000179538220 509500458 /nfs/dbraw/zinc/50/04/58/509500458.db2.gz CGZQQFMYHUDPEC-LJQANCHMSA-N 0 0 351.454 2.791 10 0 FFAERN C[C@@H](NC(=O)c1ccccc1-n1ccnn1)c1cccc(-n2ccnc2)c1 ZINC000182928068 509501139 /nfs/dbraw/zinc/50/11/39/509501139.db2.gz FSXLCKRAHZCARJ-OAHLLOKOSA-N 0 0 358.405 2.944 10 0 FFAERN O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCS[C@@H]2COCC[C@H]21 ZINC000248827906 509501335 /nfs/dbraw/zinc/50/13/35/509501335.db2.gz HDLUCRMUSXGHED-ZIAGYGMSSA-N 0 0 365.879 2.515 10 0 FFAERN O=C(CSCC(=O)c1ccc(Cl)cc1)NC[C@H]1CCCC[C@H]1O ZINC000176422837 509502589 /nfs/dbraw/zinc/50/25/89/509502589.db2.gz LSSMXGIVAKTTRR-UKRRQHHQSA-N 0 0 355.887 2.923 10 0 FFAERN C[C@@H]1CN(c2ccnc(C(=O)N[C@H]3COc4ccccc43)c2)C[C@@H](C)O1 ZINC000248832188 509503083 /nfs/dbraw/zinc/50/30/83/509503083.db2.gz IOSQPTKGIOJVPP-LBTNJELSSA-N 0 0 353.422 2.559 10 0 FFAERN Cc1ncc(CN2CCN(C(=O)[C@@H]3C[C@@]34CCc3ccccc34)CC2)s1 ZINC000173287657 509505902 /nfs/dbraw/zinc/50/59/02/509505902.db2.gz KZCKEKDXNMBACG-PZJWPPBQSA-N 0 0 367.518 3.000 10 0 FFAERN CCc1nc(CC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cs1 ZINC000176434410 509507400 /nfs/dbraw/zinc/50/74/00/509507400.db2.gz PVEXLTFUTKGALP-AWEZNQCLSA-N 0 0 359.499 2.930 10 0 FFAERN O=CNc1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000176435882 509509276 /nfs/dbraw/zinc/50/92/76/509509276.db2.gz IBRJGOHBJNMUSY-MRXNPFEDSA-N 0 0 353.426 2.550 10 0 FFAERN NC(=O)[C@H](Cc1ccc(Cl)cc1)N1CCO[C@@H](c2ccsc2)C1 ZINC000248860165 509514625 /nfs/dbraw/zinc/51/46/25/509514625.db2.gz FUGCJDFLRGGPJI-JKSUJKDBSA-N 0 0 350.871 2.871 10 0 FFAERN C[C@@H](NC(=O)N1CCSCC[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000189317467 509516898 /nfs/dbraw/zinc/51/68/98/509516898.db2.gz MMGWBSWHKHJLFG-NWDGAFQWSA-N 0 0 374.503 2.827 10 0 FFAERN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000186091165 509518763 /nfs/dbraw/zinc/51/87/63/509518763.db2.gz IRVGUQKBYCLHBI-JKSUJKDBSA-N 0 0 352.394 2.793 10 0 FFAERN CCCc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)n(C)n1 ZINC000179572136 509519145 /nfs/dbraw/zinc/51/91/45/509519145.db2.gz RNJUJILYRBIBDQ-QFBILLFUSA-N 0 0 354.454 2.921 10 0 FFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000189325004 509521080 /nfs/dbraw/zinc/52/10/80/509521080.db2.gz BETYHPMPBWJIJK-JCGIZDLHSA-N 0 0 372.469 2.634 10 0 FFAERN COc1ccc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cc1OC ZINC000176460280 509524009 /nfs/dbraw/zinc/52/40/09/509524009.db2.gz UWVZBRJDQPRTRA-HNNXBMFYSA-N 0 0 370.453 2.999 10 0 FFAERN O=C([C@H]1COc2ccccc21)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176459079 509524106 /nfs/dbraw/zinc/52/41/06/509524106.db2.gz HWGAKKFSJFWDAN-HOTGVXAUSA-N 0 0 352.438 2.844 10 0 FFAERN C[C@H](c1nc(-c2cccnc2)no1)N1CCN(c2cccs2)C(=O)C1 ZINC000186109605 509526548 /nfs/dbraw/zinc/52/65/48/509526548.db2.gz CBGQOWNONKRLCS-GFCCVEGCSA-N 0 0 355.423 2.603 10 0 FFAERN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000248881706 509526509 /nfs/dbraw/zinc/52/65/09/509526509.db2.gz RSQJQNCXUDRYBU-AYBZRNKSSA-N 0 0 374.481 2.921 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cc(Cl)ncc1Cl)CC2 ZINC000189338980 509528592 /nfs/dbraw/zinc/52/85/92/509528592.db2.gz JSUDYJMEVBZBMV-VIFPVBQESA-N 0 0 354.241 2.848 10 0 FFAERN O=C(c1cc(N2CCCC2)ccn1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000189346772 509531358 /nfs/dbraw/zinc/53/13/58/509531358.db2.gz BWYPVFXLBUUTLV-QFIPXVFZSA-N 0 0 363.461 2.996 10 0 FFAERN O=C(c1cc(O)ccc1C(F)(F)F)N1CCC(Nc2cccnn2)CC1 ZINC000189346289 509531644 /nfs/dbraw/zinc/53/16/44/509531644.db2.gz FVVCTEJNVNEOML-UHFFFAOYSA-N 0 0 366.343 2.918 10 0 FFAERN CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2cncc(Br)c2)C1 ZINC000264446367 509532807 /nfs/dbraw/zinc/53/28/07/509532807.db2.gz BRFXGOVINORMRL-ZDUSSCGKSA-N 0 0 368.275 2.611 10 0 FFAERN Cc1noc([C@@H](C)N2CCN(CCOc3ccc(F)cc3Cl)CC2)n1 ZINC000179608376 509534045 /nfs/dbraw/zinc/53/40/45/509534045.db2.gz UJIRDYSXLFZYOG-GFCCVEGCSA-N 0 0 368.840 2.928 10 0 FFAERN COCCCOc1ccccc1NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000164798252 509535472 /nfs/dbraw/zinc/53/54/72/509535472.db2.gz PGIOPSNCOQNKHP-AWEZNQCLSA-N 0 0 373.457 2.912 10 0 FFAERN C[C@@H]1CN(C(=O)/C=C/c2ccc(C(N)=O)cc2)[C@H](c2ccccc2)CO1 ZINC000176492211 509541887 /nfs/dbraw/zinc/54/18/87/509541887.db2.gz DDCAZJSAXSLCHC-DSOXVULWSA-N 0 0 350.418 2.787 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000164934022 509546528 /nfs/dbraw/zinc/54/65/28/509546528.db2.gz AUJQKHRCZAYYPA-GFCCVEGCSA-N 0 0 369.429 2.704 10 0 FFAERN Cc1c(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cccc1N1CCNC1=O ZINC000173350809 509547584 /nfs/dbraw/zinc/54/75/84/509547584.db2.gz RRLINIKKKKRSQL-MRXNPFEDSA-N 0 0 353.426 2.615 10 0 FFAERN O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000248954969 509554564 /nfs/dbraw/zinc/55/45/64/509554564.db2.gz AJLQCNYZCVQWGS-CMPLNLGQSA-N 0 0 357.237 2.642 10 0 FFAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)COc1ccccc1 ZINC000176517693 509555872 /nfs/dbraw/zinc/55/58/72/509555872.db2.gz QEXZANJAVWHFDE-KRWDZBQOSA-N 0 0 360.479 2.659 10 0 FFAERN Cc1cccc(OCC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000176517937 509556301 /nfs/dbraw/zinc/55/63/01/509556301.db2.gz XMYRREDFDUESSW-SFHVURJKSA-N 0 0 374.506 2.967 10 0 FFAERN O=C(CCc1ccc(-c2ccccc2F)o1)N1CC(NC(=O)C2CC2)C1 ZINC000189399412 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Cc1cnn(CCNC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)c1 ZINC000118016530 250371214 /nfs/dbraw/zinc/37/12/14/250371214.db2.gz DZTZXXHUMPHBMT-UHFFFAOYSA-N 0 0 369.469 2.994 10 0 FFAERN CCc1noc([C@H](C)N2CCN(C(=O)[C@@H]3CSc4ccccc43)CC2)n1 ZINC000118228011 250380694 /nfs/dbraw/zinc/38/06/94/250380694.db2.gz RUBADKJTIKWKKC-DZGCQCFKSA-N 0 0 372.494 2.727 10 0 FFAERN Cc1occc1C(=O)NC1CCN(S(=O)(=O)[C@@H](C)CC(C)C)CC1 ZINC000118431013 250384601 /nfs/dbraw/zinc/38/46/01/250384601.db2.gz ROPXESFBLSGRDI-ZDUSSCGKSA-N 0 0 356.488 2.547 10 0 FFAERN CCOc1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1OCC ZINC000118669484 250394089 /nfs/dbraw/zinc/39/40/89/250394089.db2.gz QKRSTLCSQHADNK-INIZCTEOSA-N 0 0 370.453 2.673 10 0 FFAERN Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000118669575 250394500 /nfs/dbraw/zinc/39/45/00/250394500.db2.gz HBHMEBQQAXOHQC-QGZVFWFLSA-N 0 0 366.465 2.842 10 0 FFAERN CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2c(C)onc2CC)C12CCCC2 ZINC000119071028 250428985 /nfs/dbraw/zinc/42/89/85/250428985.db2.gz 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250796108 /nfs/dbraw/zinc/79/61/08/250796108.db2.gz PYXLZWNDCIIWAX-CQSZACIVSA-N 0 0 363.401 2.634 10 0 FFAERN CSc1nsc(NC(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)n1 ZINC000128984504 250797407 /nfs/dbraw/zinc/79/74/07/250797407.db2.gz HRZSJVVMTJDPIT-LDYMZIIASA-N 0 0 372.422 2.878 10 0 FFAERN Cc1ccc(OC(F)F)c(CNC(=O)[C@@H](C)NC(=O)c2ccco2)c1 ZINC000129214307 250815384 /nfs/dbraw/zinc/81/53/84/250815384.db2.gz FUHMIEDRQBGCTE-LLVKDONJSA-N 0 0 352.337 2.624 10 0 FFAERN O=C(NC[C@@H]1CSCCS1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000130404014 250905403 /nfs/dbraw/zinc/90/54/03/250905403.db2.gz GLEOBXFFIGQTMN-LALPHHSUSA-N 0 0 374.478 2.631 10 0 FFAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccnc1N1CCC(CO)CC1 ZINC000131380823 250981069 /nfs/dbraw/zinc/98/10/69/250981069.db2.gz UCWPVWVPMNEKBE-LIRRHRJNSA-N 0 0 367.449 2.794 10 0 FFAERN Cc1ccc(C2(C(=O)N[C@H](C)c3nnc4n3CCCC4)CCOCC2)cc1 ZINC000131689782 251010821 /nfs/dbraw/zinc/01/08/21/251010821.db2.gz DFTPPLPTZKRBLD-MRXNPFEDSA-N 0 0 368.481 2.848 10 0 FFAERN Cn1nccc1C1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000131915576 251029831 /nfs/dbraw/zinc/02/98/31/251029831.db2.gz IRMFRUFMOFBKLJ-UHFFFAOYSA-N 0 0 364.243 2.908 10 0 FFAERN COCCCCCNC(=O)N1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000132504913 251065067 /nfs/dbraw/zinc/06/50/67/251065067.db2.gz MSEDFOFNERYKRY-QZTJIDSGSA-N 0 0 362.470 2.791 10 0 FFAERN CCc1cc(=O)n2nc(N[C@@H](C)c3noc(-c4ccccc4)n3)sc2n1 ZINC000152960057 251084555 /nfs/dbraw/zinc/08/45/55/251084555.db2.gz UTJVSCAOFMTXCO-JTQLQIEISA-N 0 0 368.422 2.937 10 0 FFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000153090227 251100938 /nfs/dbraw/zinc/10/09/38/251100938.db2.gz SFQQHEYWTRPOJZ-OAHLLOKOSA-N 0 0 369.425 2.847 10 0 FFAERN COc1ccc(CN(C)C(=O)N[C@H](C)c2nnc3n2CCCC3)c(OC)c1 ZINC000153202360 251111345 /nfs/dbraw/zinc/11/13/45/251111345.db2.gz GHCRUDLCVLHIFN-CYBMUJFWSA-N 0 0 373.457 2.534 10 0 FFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)[C@H](C)c1ccccc1F ZINC000153228050 251116102 /nfs/dbraw/zinc/11/61/02/251116102.db2.gz 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251181276 /nfs/dbraw/zinc/18/12/76/251181276.db2.gz YTSXFRXSPQQHFD-UHFFFAOYSA-N 0 0 359.445 2.931 10 0 FFAERN CC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)COCc2ccccc2)c1 ZINC000173532924 251200595 /nfs/dbraw/zinc/20/05/95/251200595.db2.gz FWVOLWXYWWWGBS-CQSZACIVSA-N 0 0 354.406 2.549 10 0 FFAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc(SC(F)F)cc3)CCO2)[nH]1 ZINC000173536676 251200973 /nfs/dbraw/zinc/20/09/73/251200973.db2.gz IUFKJNVBYMYZAD-LBPRGKRZSA-N 0 0 354.382 2.642 10 0 FFAERN Cc1nnc([C@H]2CN(C(=O)c3sc4cccc(F)c4c3C)CCO2)[nH]1 ZINC000173542256 251202343 /nfs/dbraw/zinc/20/23/43/251202343.db2.gz BOAAIHNYZZWOOM-GFCCVEGCSA-N 0 0 360.414 2.989 10 0 FFAERN CCCc1ccc(C(=O)CCC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173553014 251204960 /nfs/dbraw/zinc/20/49/60/251204960.db2.gz LONXQBOURALKFL-GOSISDBHSA-N 0 0 370.453 2.629 10 0 FFAERN CCN(C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)C1CCCCC1 ZINC000173558760 251206409 /nfs/dbraw/zinc/20/64/09/251206409.db2.gz ZJPHGIBOHHXUGD-MRXNPFEDSA-N 0 0 361.490 2.588 10 0 FFAERN COC(=O)C[C@H]1CN(C(=O)N[C@H](C)c2ccc3ccccc3c2)CCO1 ZINC000175567186 251231239 /nfs/dbraw/zinc/23/12/39/251231239.db2.gz JROFSHBVDBFARY-KDOFPFPSSA-N 0 0 356.422 2.874 10 0 FFAERN CCS[C@@H]1CCC[C@@H](NC(=O)NCc2cccnc2-n2cncn2)C1 ZINC000175598826 251234607 /nfs/dbraw/zinc/23/46/07/251234607.db2.gz DOZKMXJYCZAUCU-HUUCEWRRSA-N 0 0 360.487 2.526 10 0 FFAERN Cc1ccccc1C1(C(=O)N2CCC(c3nc(N(C)C)no3)CC2)CC1 ZINC000186770255 251259534 /nfs/dbraw/zinc/25/95/34/251259534.db2.gz UZLZCKVJMQJUCV-UHFFFAOYSA-N 0 0 354.454 2.882 10 0 FFAERN CN(C)c1noc(C2CCN(C(=O)CCn3ccc4ccccc43)CC2)n1 ZINC000186764373 251259743 /nfs/dbraw/zinc/25/97/43/251259743.db2.gz PWPDZMXBLNNBGM-UHFFFAOYSA-N 0 0 367.453 2.887 10 0 FFAERN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000186780158 251261826 /nfs/dbraw/zinc/26/18/26/251261826.db2.gz UZQZUUGHRCDFIS-DLBZAZTESA-N 0 0 354.454 2.954 10 0 FFAERN Cn1cnc2cc(C(=O)N3CCC[C@H]3C[C@H](O)c3cccs3)cnc21 ZINC000181168735 251251668 /nfs/dbraw/zinc/25/16/68/251251668.db2.gz FPADWHCRPRQCOF-ZFWWWQNUSA-N 0 0 356.451 2.758 10 0 FFAERN Cn1cc([C@@H](NC(=O)C[C@@H](O)c2ccccc2)c2ccc(F)cc2)cn1 ZINC000186853206 251274697 /nfs/dbraw/zinc/27/46/97/251274697.db2.gz XFEIOOWWTKQAHR-QUCCMNQESA-N 0 0 353.397 2.889 10 0 FFAERN COCc1ccc(NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000192515644 251280777 /nfs/dbraw/zinc/28/07/77/251280777.db2.gz LGPJAIWLDRSSSG-KRWDZBQOSA-N 0 0 355.442 2.756 10 0 FFAERN Cc1nnc([C@@H](NCc2ccc3c(c2)sc(=O)n3C)c2ccccc2)[nH]1 ZINC000192535068 251285254 /nfs/dbraw/zinc/28/52/54/251285254.db2.gz YHPGPTLOZVOEIY-KRWDZBQOSA-N 0 0 365.462 2.906 10 0 FFAERN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)N2CC[C@](C)(O)C2)C1 ZINC000251927520 251307684 /nfs/dbraw/zinc/30/76/84/251307684.db2.gz XRKABHUFZRGOOJ-KSSFIOAISA-N 0 0 351.878 2.641 10 0 FFAERN CCc1nnc(C)cc1C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000273725456 255782713 /nfs/dbraw/zinc/78/27/13/255782713.db2.gz PYQLZYOMTFTXTN-INIZCTEOSA-N 0 0 354.458 2.643 10 0 FFAERN O=C(N[C@@H]1CCCc2c[nH]nc21)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000272642617 252089834 /nfs/dbraw/zinc/08/98/34/252089834.db2.gz YYGGAJLBVVRXTG-CABCVRRESA-N 0 0 369.473 2.652 10 0 FFAERN O=C(N[C@H]1CCCc2c[nH]nc21)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000272642622 252090344 /nfs/dbraw/zinc/09/03/44/252090344.db2.gz YYGGAJLBVVRXTG-GJZGRUSLSA-N 0 0 369.473 2.652 10 0 FFAERN OC[C@@H]1CCCN1c1cc(N[C@H]2CCO[C@H](c3ccccc3)C2)ncn1 ZINC000274184498 255845266 /nfs/dbraw/zinc/84/52/66/255845266.db2.gz QIFSOWJRSXXNSG-BZSNNMDCSA-N 0 0 354.454 2.770 10 0 FFAERN Cc1noc([C@@H]2CN(C(=O)c3c(C)nc4ccccc4c3C)CCN2C)n1 ZINC000285708505 257000648 /nfs/dbraw/zinc/00/06/48/257000648.db2.gz DCCYELYNBABDJU-KRWDZBQOSA-N 0 0 365.437 2.672 10 0 FFAERN Cn1ccnc1[C@@H]1CN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CCN1C ZINC000275444767 256007585 /nfs/dbraw/zinc/00/75/85/256007585.db2.gz QTSLRRUJDYSLOX-IRXDYDNUSA-N 0 0 373.888 2.759 10 0 FFAERN Cn1ccnc1[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)CCN1C ZINC000275959763 256062408 /nfs/dbraw/zinc/06/24/08/256062408.db2.gz LTXYETONUDEUFX-INIZCTEOSA-N 0 0 369.469 2.654 10 0 FFAERN Cc1noc(C2CCN(C(=O)[C@@H]3C[C@]34CCOc3ccccc34)CC2)n1 ZINC000276762849 256128397 /nfs/dbraw/zinc/12/83/97/256128397.db2.gz BUBDCRKOJHZJJW-JXFKEZNVSA-N 0 0 353.422 2.824 10 0 FFAERN C[C@H]1OCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000277096187 256160512 /nfs/dbraw/zinc/16/05/12/256160512.db2.gz SNJJTYKEXHPFIP-VXNVDRBHSA-N 0 0 354.653 2.558 10 0 FFAERN CCc1csc([C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 ZINC000277604967 256216864 /nfs/dbraw/zinc/21/68/64/256216864.db2.gz VMTAMNWNIYMKQS-CQSZACIVSA-N 0 0 359.499 2.716 10 0 FFAERN Cc1cc2c(N3CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC3)nccn2n1 ZINC000277704784 256229497 /nfs/dbraw/zinc/22/94/97/256229497.db2.gz GSKWAEHPZYKTPX-MRXNPFEDSA-N 0 0 373.501 2.670 10 0 FFAERN C[C@H]1CN(S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)C[C@H](C)O1 ZINC000278679847 256337197 /nfs/dbraw/zinc/33/71/97/256337197.db2.gz KXUIQKAFVSTRIK-STQMWFEESA-N 0 0 373.434 2.688 10 0 FFAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cnn3c1CCCC3)CCCC2 ZINC000279161290 256388245 /nfs/dbraw/zinc/38/82/45/256388245.db2.gz IGWSSQLTPXJXKK-SFHVURJKSA-N 0 0 353.470 2.809 10 0 FFAERN CC(C)c1nc2c(n1C)CCN(C(=O)Nc1cc([C@H]3CCCO3)nn1C)C2 ZINC000279108492 256382366 /nfs/dbraw/zinc/38/23/66/256382366.db2.gz WPWBFAUELMWTPG-MRXNPFEDSA-N 0 0 372.473 2.719 10 0 FFAERN Cc1coc(-c2ccc(C)c(NC(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)c2)n1 ZINC000285948651 257012785 /nfs/dbraw/zinc/01/27/85/257012785.db2.gz WCRJELVTKGBKPZ-ROUUACIJSA-N 0 0 370.453 2.895 10 0 FFAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000286163311 257023287 /nfs/dbraw/zinc/02/32/87/257023287.db2.gz YVWOVBDEHNYKFW-OLZOCXBDSA-N 0 0 371.510 2.651 10 0 FFAERN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000287068875 257070244 /nfs/dbraw/zinc/07/02/44/257070244.db2.gz WCBJJKRNQZJEGT-SOAMZJECSA-N 0 0 359.466 2.855 10 0 FFAERN Cn1cc([C@@H]2CCCN2c2ccc(I)cn2)cn1 ZINC000294585834 257594047 /nfs/dbraw/zinc/59/40/47/257594047.db2.gz YXMYTHNMZFIWFG-LBPRGKRZSA-N 0 0 354.195 2.761 10 0 FFAERN CCOc1ccccc1C1=CCN(c2cc(COC)nc3ncnn32)CC1 ZINC000301069007 258022609 /nfs/dbraw/zinc/02/26/09/258022609.db2.gz DQDYEZYSEDLIKM-UHFFFAOYSA-N 0 0 365.437 2.963 10 0 FFAERN NC(=O)Nc1ccc(CNc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 ZINC000301088446 258024097 /nfs/dbraw/zinc/02/40/97/258024097.db2.gz QIUQGSNNLSGBMR-UHFFFAOYSA-N 0 0 369.812 2.989 10 0 FFAERN CCc1cc(=O)n2nc(Nc3ccn(Cc4ccccc4)n3)sc2n1 ZINC000301147865 258029290 /nfs/dbraw/zinc/02/92/90/258029290.db2.gz HVLBGGVYSKZOPE-UHFFFAOYSA-N 0 0 352.423 2.702 10 0 FFAERN COc1ccc(CNc2nn3c(nccc3=O)s2)c(C(F)(F)F)c1 ZINC000301157008 258029813 /nfs/dbraw/zinc/02/98/13/258029813.db2.gz GGVOJBIJOWBEBP-UHFFFAOYSA-N 0 0 356.329 2.791 10 0 FFAERN Cc1csc(CN(C)c2ncc(C(=O)N3CCOCC3)cc2Cl)n1 ZINC000301262195 258038200 /nfs/dbraw/zinc/03/82/00/258038200.db2.gz DHFRPUSGZOSAGI-UHFFFAOYSA-N 0 0 366.874 2.609 10 0 FFAERN C[C@@H]1SCCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)[C@H]1C ZINC000301297605 258041016 /nfs/dbraw/zinc/04/10/16/258041016.db2.gz SLZJNJXIKQSIOB-KBPBESRZSA-N 0 0 355.529 2.586 10 0 FFAERN CN(c1ccc(C(=O)Nc2ccccc2)nn1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000301340775 258043800 /nfs/dbraw/zinc/04/38/00/258043800.db2.gz ICWKXMRYVPGJAV-ZTFGCOKTSA-N 0 0 352.438 2.979 10 0 FFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)/C=C/c2ccc(OC)c(OC)c2)C1 ZINC000299699575 258017832 /nfs/dbraw/zinc/01/78/32/258017832.db2.gz UVUNHYIXIHWALO-PXUDHTSWSA-N 0 0 360.454 2.624 10 0 FFAERN O=S1(=O)CCC(CNc2nnc(Cc3ccccc3F)s2)CC1 ZINC000302186428 258093772 /nfs/dbraw/zinc/09/37/72/258093772.db2.gz UKLATOODWOHDGH-UHFFFAOYSA-N 0 0 355.460 2.505 10 0 FFAERN C[C@@H](Nc1nccn2c1nnc2C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000302201892 258094664 /nfs/dbraw/zinc/09/46/64/258094664.db2.gz HYJFSJAABBICQR-LLVKDONJSA-N 0 0 357.439 2.578 10 0 FFAERN CC(C)OC(=O)c1cccnc1NCC(=O)N1CCc2sccc2C1 ZINC000302206261 258095357 /nfs/dbraw/zinc/09/53/57/258095357.db2.gz DQBUNFIALPWJBJ-UHFFFAOYSA-N 0 0 359.451 2.705 10 0 FFAERN CNc1nc(NCc2ccc(OC(F)F)cn2)ncc1Br ZINC000302837955 258112266 /nfs/dbraw/zinc/11/22/66/258112266.db2.gz 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258116762 /nfs/dbraw/zinc/11/67/62/258116762.db2.gz CPEYJZZLRHNFBA-RDJZCZTQSA-N 0 0 357.454 2.930 10 0 FFAERN O=C(CO[C@H]1CCCc2ccccc21)N1CCN[C@H](c2cccnc2)C1 ZINC000328658700 258116987 /nfs/dbraw/zinc/11/69/87/258116987.db2.gz RNMGNZAJLNBJPY-PMACEKPBSA-N 0 0 351.450 2.649 10 0 FFAERN O=C(CO[C@@H]1CCCc2ccccc21)N1CCN[C@@H](c2cccnc2)C1 ZINC000328658703 258117001 /nfs/dbraw/zinc/11/70/01/258117001.db2.gz RNMGNZAJLNBJPY-WOJBJXKFSA-N 0 0 351.450 2.649 10 0 FFAERN COC(=O)Cn1ncc2c1ncnc2NCc1ccc(-c2cccnc2)cc1 ZINC000301466038 258051216 /nfs/dbraw/zinc/05/12/16/258051216.db2.gz XIIVPHSVDCTHSC-UHFFFAOYSA-N 0 0 374.404 2.673 10 0 FFAERN CCS[C@@H]1CC[C@@]1(O)CNc1cnn(-c2ccccc2)c(=O)c1Cl ZINC000301496731 258052549 /nfs/dbraw/zinc/05/25/49/258052549.db2.gz UHRIGSXCWSWOBC-RHSMWYFYSA-N 0 0 365.886 2.944 10 0 FFAERN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000328670261 258117381 /nfs/dbraw/zinc/11/73/81/258117381.db2.gz GIJDQEOUVYASNO-PXAZEXFGSA-N 0 0 360.889 2.967 10 0 FFAERN CC(C)c1nc([C@@H]2CCCN(C(=O)C[C@H](C)N3CCCCC3=O)C2)no1 ZINC000328702320 258118346 /nfs/dbraw/zinc/11/83/46/258118346.db2.gz NUFWOBQUZODAGJ-LSDHHAIUSA-N 0 0 362.474 2.690 10 0 FFAERN C[C@H]1CCCN(c2cc(NC[C@H](Cc3ccc(F)cc3)C(N)=O)ncn2)C1 ZINC000301986389 258080002 /nfs/dbraw/zinc/08/00/02/258080002.db2.gz MEZPAVYUJMHDQE-HOCLYGCPSA-N 0 0 371.460 2.608 10 0 FFAERN COC(=O)c1ccc(CNc2ccccc2S(C)(=O)=O)nc1C1CC1 ZINC000302008820 258081312 /nfs/dbraw/zinc/08/13/12/258081312.db2.gz BKRZNLRJXHJKTB-UHFFFAOYSA-N 0 0 360.435 2.761 10 0 FFAERN CN(C)c1ncccc1O[C@H]1CCN(S(=O)(=O)CC2CCCCC2)C1 ZINC000329863680 258149133 /nfs/dbraw/zinc/14/91/33/258149133.db2.gz ZICZBDFAPIEYMI-INIZCTEOSA-N 0 0 367.515 2.511 10 0 FFAERN CC[C@H]1OCCC[C@H]1C(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000329884945 258149565 /nfs/dbraw/zinc/14/95/65/258149565.db2.gz TWKKXXRCMUPJOJ-NVXWUHKLSA-N 0 0 357.454 2.990 10 0 FFAERN Cc1nc(-c2cccc(C(=O)N3CCC[C@@H](Cc4noc(C)n4)C3)c2)n[nH]1 ZINC000330003292 258152609 /nfs/dbraw/zinc/15/26/09/258152609.db2.gz ZOJLONPQRBDAGB-AWEZNQCLSA-N 0 0 366.425 2.566 10 0 FFAERN O=C(c1cc2sc(N3CCCC3)nc2s1)N1CCc2cncnc2C1 ZINC000330019819 258153097 /nfs/dbraw/zinc/15/30/97/258153097.db2.gz VRAVNLMRNJAACP-UHFFFAOYSA-N 0 0 371.491 2.947 10 0 FFAERN Cc1csc2c1ncnc2N(C)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000330046030 258153550 /nfs/dbraw/zinc/15/35/50/258153550.db2.gz INGQNASLUVFSPK-STQMWFEESA-N 0 0 358.446 2.843 10 0 FFAERN CN(c1ccccc1)C1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000330062631 258154001 /nfs/dbraw/zinc/15/40/01/258154001.db2.gz AWUPLCLKRHUFEI-UYAOXDASSA-N 0 0 368.481 2.625 10 0 FFAERN CC1(C)CN(C(=O)[C@H]2CCCc3c(O)cccc32)C[C@]2(CCCOC2)O1 ZINC000330069054 258154286 /nfs/dbraw/zinc/15/42/86/258154286.db2.gz GWDWLJQGRAKWLK-UWJYYQICSA-N 0 0 359.466 2.999 10 0 FFAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000330118954 258155583 /nfs/dbraw/zinc/15/55/83/258155583.db2.gz ZGONBTZLHPEGMX-CZTZKLFOSA-N 0 0 364.445 2.860 10 0 FFAERN F[C@H]1C[C@@H](CNc2ncnc3sc4c(c32)CCC4)N(c2cccnn2)C1 ZINC000330116951 258155660 /nfs/dbraw/zinc/15/56/60/258155660.db2.gz WFIGBBSBLVXBJB-RYUDHWBXSA-N 0 0 370.457 2.999 10 0 FFAERN CC1(C)CN(c2nc(-c3ccncc3)nc3c2CCC3)C[C@]2(CCOC2)O1 ZINC000330161493 258157084 /nfs/dbraw/zinc/15/70/84/258157084.db2.gz RUJBIBFYFNOMIJ-NRFANRHFSA-N 0 0 366.465 2.802 10 0 FFAERN CC[C@H](NS(=O)(=O)CC[C@H]1CCCCN1C(C)=O)c1cccs1 ZINC000330185318 258157967 /nfs/dbraw/zinc/15/79/67/258157967.db2.gz JASBWTYUCKSEBF-CABCVRRESA-N 0 0 358.529 2.910 10 0 FFAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N1C[C@H](OC)C[C@H]1c1nc(C)no1 ZINC000330217755 258159179 /nfs/dbraw/zinc/15/91/79/258159179.db2.gz OBCUIVSTVVSKSZ-WCVJEAGWSA-N 0 0 351.447 2.652 10 0 FFAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CSc2ccc3c(c2)CCC3)C1 ZINC000330218632 258159259 /nfs/dbraw/zinc/15/92/59/258159259.db2.gz OWFJTXCILHRTRT-NVXWUHKLSA-N 0 0 373.478 2.947 10 0 FFAERN CCn1cc(-c2n[nH]cc2C(=O)N2CCC[C@H](c3nccs3)C2)cn1 ZINC000330218458 258159264 /nfs/dbraw/zinc/15/92/64/258159264.db2.gz JKKKFNTWJYRMHD-LBPRGKRZSA-N 0 0 356.455 2.769 10 0 FFAERN C[C@H](C(=O)N(C)Cc1cccc2[nH]ccc21)N1C(=O)NC2(CCCC2)C1=O ZINC000330219332 258159322 /nfs/dbraw/zinc/15/93/22/258159322.db2.gz KCAGRSNWBTYILS-CYBMUJFWSA-N 0 0 368.437 2.584 10 0 FFAERN C[C@@H](CS(=O)(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccccc1 ZINC000330233664 258159534 /nfs/dbraw/zinc/15/95/34/258159534.db2.gz XZLWZJIZMHAOHZ-HNNXBMFYSA-N 0 0 374.510 2.543 10 0 FFAERN Cc1c([C@H]2OCC[C@@H]2NC(=O)c2nc(C3CC3)n3ccccc23)cnn1C ZINC000330246289 258159640 /nfs/dbraw/zinc/15/96/40/258159640.db2.gz FBBFIKRFAAIWLR-MAUKXSAKSA-N 0 0 365.437 2.514 10 0 FFAERN O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CC[C@H]2CCC[C@H]21 ZINC000330243790 258159660 /nfs/dbraw/zinc/15/96/60/258159660.db2.gz JWXCMWRPEOEROF-VQIMIIECSA-N 0 0 372.490 2.909 10 0 FFAERN C[C@H]1CN(C(=O)c2csc(CCc3ccccc3)n2)CC[S@](=O)C1 ZINC000330324991 258161481 /nfs/dbraw/zinc/16/14/81/258161481.db2.gz IXSISBXSBHGYCH-BSEYFRJRSA-N 0 0 362.520 2.769 10 0 FFAERN COc1cccc(NC2CCN(C(=O)C[C@@H](C)N3CCCCC3=O)CC2)c1 ZINC000328747638 258119704 /nfs/dbraw/zinc/11/97/04/258119704.db2.gz LTTLOHCVQDLPAY-MRXNPFEDSA-N 0 0 373.497 2.889 10 0 FFAERN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CC[C@@H](Nc2ccccc2)C1 ZINC000328827743 258122049 /nfs/dbraw/zinc/12/20/49/258122049.db2.gz IPAWNMLLXLYJPJ-MRXNPFEDSA-N 0 0 374.462 2.723 10 0 FFAERN CC(C)[C@H]1N(S(=O)(=O)c2cnc3ccsc3c2)C[C@]12CCCO2 ZINC000328839873 258122203 /nfs/dbraw/zinc/12/22/03/258122203.db2.gz NZVVRUHRSTZAPF-HZPDHXFCSA-N 0 0 352.481 2.874 10 0 FFAERN CN(c1nc(C2CC2)nc2c1CCC2)[C@H]1CCCN(c2cccnn2)C1 ZINC000328841365 258122238 /nfs/dbraw/zinc/12/22/38/258122238.db2.gz OSRXTJPKPGDHRZ-HNNXBMFYSA-N 0 0 350.470 2.738 10 0 FFAERN Cc1c(S(=O)(=O)N2CCC[C@H](n3cccn3)C2)c2ccccc2n1C ZINC000328901408 258123588 /nfs/dbraw/zinc/12/35/88/258123588.db2.gz ZAJCJYDSTVABJY-HNNXBMFYSA-N 0 0 358.467 2.709 10 0 FFAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000328988777 258125933 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C[C@@H]1C[C@@H]1[C@@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1 ZINC000246412774 510476661 /nfs/dbraw/zinc/47/66/61/510476661.db2.gz SCRQEKXVEUNHFB-LCSDZXHASA-N 0 0 359.861 2.943 10 0 FFAERN CCn1c(C)nnc1CSc1nnc([C@@H]2COc3ccccc3O2)o1 ZINC000194681992 510477090 /nfs/dbraw/zinc/47/70/90/510477090.db2.gz IFTDYRNFMOFSBX-ZDUSSCGKSA-N 0 0 359.411 2.794 10 0 FFAERN CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3nnc(C4CC4)n3C)C2=O)cc1 ZINC000194679846 510477843 /nfs/dbraw/zinc/47/78/43/510477843.db2.gz SUWAABDDLSTBLY-FQEVSTJZSA-N 0 0 367.453 2.783 10 0 FFAERN O=C(CC1CCN(C(=O)N[C@@H]2COc3ccccc32)CC1)N1CCCC1 ZINC000194683604 510479094 /nfs/dbraw/zinc/47/90/94/510479094.db2.gz GSUMAVBGVOOHEN-QGZVFWFLSA-N 0 0 357.454 2.554 10 0 FFAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000246418118 510480599 /nfs/dbraw/zinc/48/05/99/510480599.db2.gz MJSDEKZUAFKTAU-BPQIPLTHSA-N 0 0 358.486 2.781 10 0 FFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000178196626 510482934 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FFAERN Cc1ccc([C@H](O)CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1 ZINC000246566044 510558363 /nfs/dbraw/zinc/55/83/63/510558363.db2.gz LBOCZIBXHUMAHO-SBHAEUEKSA-N 0 0 366.461 2.754 10 0 FFAERN CN(Cc1cc2ccccc2o1)C(=O)NCc1cccnc1-n1cncn1 ZINC000175268042 510561646 /nfs/dbraw/zinc/56/16/46/510561646.db2.gz NLHMLQQJKDCPFD-UHFFFAOYSA-N 0 0 362.393 2.750 10 0 FFAERN C[C@H](NC(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccc2c(c1)OCCO2 ZINC000178355061 510562092 /nfs/dbraw/zinc/56/20/92/510562092.db2.gz BDGADUUNFHGQDW-NSHDSACASA-N 0 0 370.380 2.973 10 0 FFAERN CCC(=O)N1CC[C@H](C(=O)N2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)C1 ZINC000246573828 510563098 /nfs/dbraw/zinc/56/30/98/510563098.db2.gz RSCVZLLBTPRZEZ-AOIWGVFYSA-N 0 0 358.482 2.850 10 0 FFAERN Cc1nc(COc2ccccc2C(=O)N[C@H]2COc3ccccc32)no1 ZINC000194866922 510564125 /nfs/dbraw/zinc/56/41/25/510564125.db2.gz OQEQCUFYYOAKCT-HNNXBMFYSA-N 0 0 351.362 2.821 10 0 FFAERN CC(C)C(=O)N1CCCN(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)CC1 ZINC000246575769 510565079 /nfs/dbraw/zinc/56/50/79/510565079.db2.gz RTRJJGBRGCKLSN-IPMKNSEASA-N 0 0 355.482 2.615 10 0 FFAERN COC(=O)[C@@H](C)Cc1ccc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000184886795 510565758 /nfs/dbraw/zinc/56/57/58/510565758.db2.gz GFRCKTNANDNZRJ-GOEBONIOSA-N 0 0 370.453 2.793 10 0 FFAERN Cn1cc([C@H]2CCN(C(=O)Nc3cc4c(cc3Cl)OCCO4)C2)cn1 ZINC000172145242 510566304 /nfs/dbraw/zinc/56/63/04/510566304.db2.gz UOBIBKPMNGTSKO-NSHDSACASA-N 0 0 362.817 2.866 10 0 FFAERN O=C(N[C@@H]1COc2ccccc21)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000194872248 510566940 /nfs/dbraw/zinc/56/69/40/510566940.db2.gz BJOMVYOVWICKMF-AEFFLSMTSA-N 0 0 352.390 2.668 10 0 FFAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCCC[C@H]1c1cccn1C)CC2 ZINC000181739436 510569052 /nfs/dbraw/zinc/56/90/52/510569052.db2.gz CDTXPYSVKPVVSL-WBVHZDCISA-N 0 0 370.501 2.992 10 0 FFAERN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)N[C@@H]1COc2ccccc21 ZINC000194878483 510570273 /nfs/dbraw/zinc/57/02/73/510570273.db2.gz UZPGZONGMQNAIE-GOSISDBHSA-N 0 0 366.417 2.980 10 0 FFAERN 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10 0 FFAERN CCCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2noc(C)n2)cc1 ZINC000329270076 258134339 /nfs/dbraw/zinc/13/43/39/258134339.db2.gz HAOROZLASUVGJK-HNNXBMFYSA-N 0 0 351.428 2.693 10 0 FFAERN O=S(=O)(c1cnc2ccc(F)cc2c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000329304908 258135137 /nfs/dbraw/zinc/13/51/37/258135137.db2.gz XJHVLUXYJXNGAR-KBXCAEBGSA-N 0 0 364.442 2.690 10 0 FFAERN CC(C)[C@@H]1N(C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)C[C@@]12CCCO2 ZINC000329319242 258135513 /nfs/dbraw/zinc/13/55/13/258135513.db2.gz FZANVGZIHSEIKT-URVUXULASA-N 0 0 372.509 2.600 10 0 FFAERN O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(c2ccnn2CCO)CC1 ZINC000329372871 258136699 /nfs/dbraw/zinc/13/66/99/258136699.db2.gz KLJDFWUJMTZYAO-GJZGRUSLSA-N 0 0 373.419 2.950 10 0 FFAERN C[C@H]1C[C@H](C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)CC(=O)N1 ZINC000329403823 258137824 /nfs/dbraw/zinc/13/78/24/258137824.db2.gz CGWZDPHUYUAXLM-ZFWWWQNUSA-N 0 0 373.453 2.631 10 0 FFAERN Cc1c(C(=O)N2CCN(Cc3ncc[nH]3)CC2)sc2nccc(C)c12 ZINC000329428990 258138369 /nfs/dbraw/zinc/13/83/69/258138369.db2.gz JQQXUJZFQQMDQD-UHFFFAOYSA-N 0 0 355.467 2.594 10 0 FFAERN CC(C)[C@@H]1N(C(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)C[C@]12CCCO2 ZINC000329430334 258138409 /nfs/dbraw/zinc/13/84/09/258138409.db2.gz HGBXJZZEIUSADV-TXJVSEOTSA-N 0 0 361.486 2.958 10 0 FFAERN C[C@@H]1c2nncn2CCN1c1nnc(CC23CC4CC(CC(C4)C2)C3)n1C ZINC000329459077 258139327 /nfs/dbraw/zinc/13/93/27/258139327.db2.gz RGDJYDBTGRHDBT-XXWNAHEMSA-N 0 0 367.501 2.747 10 0 FFAERN CC1(C)CN(S(=O)(=O)c2cnc3ccc(F)cc3c2)[C@@H]1[C@@H]1CCCO1 ZINC000329459412 258139383 /nfs/dbraw/zinc/13/93/83/258139383.db2.gz RLOYUKDRSNKNES-DLBZAZTESA-N 0 0 364.442 2.952 10 0 FFAERN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C[C@@H]1CCCCNC1=O ZINC000329486214 258139805 /nfs/dbraw/zinc/13/98/05/258139805.db2.gz GFMTYPIGZSLWPO-WMLDXEAASA-N 0 0 373.453 2.690 10 0 FFAERN CN(C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)C1CCN(c2ccccc2)CC1 ZINC000329485741 258139824 /nfs/dbraw/zinc/13/98/24/258139824.db2.gz XFOZADCXPJMNJU-VQTJNVASSA-N 0 0 368.481 2.625 10 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/nfs/dbraw/zinc/14/46/14/258144614.db2.gz RVJKBJRONNCVKP-QGZVFWFLSA-N 0 0 354.410 2.561 10 0 FFAERN C[C@@H]1C[C@H](CCNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CCO1 ZINC000329674445 258144864 /nfs/dbraw/zinc/14/48/64/258144864.db2.gz VLALGFOSWOZALI-BSXFFOKHSA-N 0 0 357.516 2.506 10 0 FFAERN Cc1cnc2c(cccc2S(=O)(=O)N2C[C@H]3CCCCN3C[C@@H]2C)c1 ZINC000329678488 258144867 /nfs/dbraw/zinc/14/48/67/258144867.db2.gz WZWZWYGEGITOQI-DOTOQJQBSA-N 0 0 359.495 2.791 10 0 FFAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)Cc3csc4ccccc34)CCO2)n1 ZINC000329775462 258147327 /nfs/dbraw/zinc/14/73/27/258147327.db2.gz NBDXWOWWVRZGIU-INIZCTEOSA-N 0 0 370.478 2.580 10 0 FFAERN C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CCO1 ZINC000332788932 258241928 /nfs/dbraw/zinc/24/19/28/258241928.db2.gz RPMVIWLVPDUPGY-GKCQOKHPSA-N 0 0 374.525 2.878 10 0 FFAERN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000332801956 258242252 /nfs/dbraw/zinc/24/22/52/258242252.db2.gz YSFQTJXFVICPRT-MBGYTDRXSA-N 0 0 370.453 2.597 10 0 FFAERN O=C(C[C@@H]1CCCCNC1=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000332842357 258242841 /nfs/dbraw/zinc/24/28/41/258242841.db2.gz KRHADTOIKJJVDR-QRTARXTBSA-N 0 0 350.846 2.593 10 0 FFAERN CC1(C)[C@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)[C@H]2CCCO[C@@H]21 ZINC000332904914 258243441 /nfs/dbraw/zinc/24/34/41/258243441.db2.gz YCWKBGSQOLYVQJ-HWHUXHBOSA-N 0 0 360.479 2.809 10 0 FFAERN CCCC(=O)N1CCCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2N(C)C1 ZINC000332956954 258243981 /nfs/dbraw/zinc/24/39/81/258243981.db2.gz MBSZVVBKLHORFA-LPHOPBHVSA-N 0 0 357.498 2.593 10 0 FFAERN Cn1cc([C@H]2[C@H](CNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC(=O)N2C(C)(C)C)cn1 ZINC000332971619 258244346 /nfs/dbraw/zinc/24/43/46/258244346.db2.gz AURWGHNJNQJEJS-BPFKQRPKSA-N 0 0 372.513 2.661 10 0 FFAERN Cc1c([C@@H]2[C@@H](C(=O)N[C@@H](C)c3cccc(Cl)c3)CC(=O)N2C)cnn1C ZINC000332996276 258244716 /nfs/dbraw/zinc/24/47/16/258244716.db2.gz ZYSYPXGXDAOZDL-GYOIFBIXSA-N 0 0 374.872 2.779 10 0 FFAERN CC1(C)Cc2ccc(C(=O)N3CC[C@H](Oc4ccccn4)C3)c(O)c2O1 ZINC000333007324 258244901 /nfs/dbraw/zinc/24/49/01/258244901.db2.gz AKLDKCRYYYWBBM-AWEZNQCLSA-N 0 0 354.406 2.794 10 0 FFAERN COc1ccccc1C1(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000333032863 258246051 /nfs/dbraw/zinc/24/60/51/258246051.db2.gz HWJWIVVMPFGUKG-CVEARBPZSA-N 0 0 356.466 2.634 10 0 FFAERN Cc1ccc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc1S(N)(=O)=O ZINC000333040013 258246311 /nfs/dbraw/zinc/24/63/11/258246311.db2.gz AGRLITRTQNUAFG-SDCOAXJVSA-N 0 0 363.483 2.542 10 0 FFAERN CC(C)n1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000333043003 258246540 /nfs/dbraw/zinc/24/65/40/258246540.db2.gz AUDCKLIULBNMBV-FPCVCCKLSA-N 0 0 366.531 2.776 10 0 FFAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N1CCO[C@@]2(CCCOC2)C1 ZINC000333040655 258246556 /nfs/dbraw/zinc/24/65/56/258246556.db2.gz ACQXJAREXHJKRY-VKJFTORMSA-N 0 0 366.483 2.559 10 0 FFAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N1CCO[C@]2(CCCOC2)C1 ZINC000333040652 258246565 /nfs/dbraw/zinc/24/65/65/258246565.db2.gz ACQXJAREXHJKRY-RVKKMQEKSA-N 0 0 366.483 2.559 10 0 FFAERN CC(C)[C@@H]1C[C@H](CC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CCO1 ZINC000333085474 258248910 /nfs/dbraw/zinc/24/89/10/258248910.db2.gz RJWFDNJOFUJENZ-BDXSIMOUSA-N 0 0 350.503 2.735 10 0 FFAERN C[C@H]1c2nnc(C3CCCC3)n2CCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333144416 258252414 /nfs/dbraw/zinc/25/24/14/258252414.db2.gz JVNBWDLXADNPGU-XRGAULLZSA-N 0 0 364.515 2.831 10 0 FFAERN COc1ccc(C[C@H](C)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000333173795 258253789 /nfs/dbraw/zinc/25/37/89/258253789.db2.gz QMGDKSDGYNUFHZ-JQHSSLGASA-N 0 0 358.482 2.781 10 0 FFAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@H]1C[C@]12CCOc1ccccc12 ZINC000333187580 258255082 /nfs/dbraw/zinc/25/50/82/258255082.db2.gz USNUCIDDIHAQBS-IRMTXWDGSA-N 0 0 368.477 2.634 10 0 FFAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000333198084 258255452 /nfs/dbraw/zinc/25/54/52/258255452.db2.gz XYBCJDCZZISJKN-AABGKKOBSA-N 0 0 369.509 2.558 10 0 FFAERN CCn1ccnc1[C@H]1CCCCN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000333224043 258256964 /nfs/dbraw/zinc/25/69/64/258256964.db2.gz FKIDMHQCUNQCKA-OAHLLOKOSA-N 0 0 354.410 2.601 10 0 FFAERN Cc1cc(C)c(NC(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)c(C)n1 ZINC000333226320 258257160 /nfs/dbraw/zinc/25/71/60/258257160.db2.gz XFPKZNFLBYKKJM-OAHLLOKOSA-N 0 0 370.457 2.788 10 0 FFAERN Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCS(=O)(=O)c3ccccc3C2)cc1 ZINC000333257576 258258745 /nfs/dbraw/zinc/25/87/45/258258745.db2.gz IHLZLMXXDDHVRO-ZWKOTPCHSA-N 0 0 355.459 2.915 10 0 FFAERN O=C(c1noc2c1CCCC2)N1CCN(c2cccc(Cl)c2)C(=O)C1 ZINC000082109449 132195844 /nfs/dbraw/zinc/19/58/44/132195844.db2.gz DPLBULIIBGVVSB-UHFFFAOYSA-N 0 0 359.813 2.696 10 0 FFAERN O=C([C@@H]1CC(=O)N(C2CCCCCC2)C1)N1CCN(c2ccccc2)CC1 ZINC000003007841 132384725 /nfs/dbraw/zinc/38/47/25/132384725.db2.gz PZYZRECLUZIYSZ-GOSISDBHSA-N 0 0 369.509 2.907 10 0 FFAERN O=C(c1cccc(F)c1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 ZINC000009824749 132847379 /nfs/dbraw/zinc/84/73/79/132847379.db2.gz FGRYKBXRUHNVRA-UHFFFAOYSA-N 0 0 352.369 2.838 10 0 FFAERN CSCc1ccc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)o1 ZINC000095524913 209075270 /nfs/dbraw/zinc/07/52/70/209075270.db2.gz GMROIBCQOIITMG-DNVCBOLYSA-N 0 0 359.447 2.753 10 0 FFAERN COc1cccc([C@H](c2c([O-])[nH]c(=S)[nH]c2=O)[NH+]2CCCC2)c1OC ZINC000020156096 263379115 /nfs/dbraw/zinc/37/91/15/263379115.db2.gz VVCJJBGOEUXDJR-CYBMUJFWSA-N 0 0 363.439 2.753 10 0 FFAERN NS(=O)(=O)c1cc(OC(F)(F)F)c(Br)cc1C(F)F ZINC000575685048 518248346 /nfs/dbraw/zinc/24/83/46/518248346.db2.gz NLFMEFJETYNMBI-UHFFFAOYSA-N 0 0 370.093 2.933 10 0 FFAERN Cc1cccc(NC(=O)C(=O)N2CCS[C@H](C)C2)c1Br ZINC000121009957 509109321 /nfs/dbraw/zinc/10/93/21/509109321.db2.gz ZFQWKNZWXFAPSN-SNVBAGLBSA-N 0 0 357.273 2.660 10 0 FFAERN CCCn1c2nn(Cc3ccccc3)c(=O)n2c2cc(Cl)ccc2c1=O ZINC000064860870 506236692 /nfs/dbraw/zinc/23/66/92/506236692.db2.gz KMDHVRFYNNILDX-UHFFFAOYSA-N 0 0 368.824 2.923 10 0 FFAERN Cc1ccc([C@@H](O)Cn2cc(C(=O)Nc3ccc(F)c(F)c3)nn2)cc1 ZINC000065255199 506275828 /nfs/dbraw/zinc/27/58/28/506275828.db2.gz MYOALYGZLQXWBP-KRWDZBQOSA-N 0 0 358.348 2.851 10 0 FFAERN Cc1ccc(C(=O)N2CCN(c3nnc4c(Cl)cccn43)CC2)cc1 ZINC000065313340 506286675 /nfs/dbraw/zinc/28/66/75/506286675.db2.gz PJXGJHIROQWLLX-UHFFFAOYSA-N 0 0 355.829 2.654 10 0 FFAERN CC(C)CNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000003131585 506311034 /nfs/dbraw/zinc/31/10/34/506311034.db2.gz ANHDUJZRWRHESD-SFHVURJKSA-N 0 0 350.418 2.666 10 0 FFAERN Cc1cccc(N2CCN(C(=O)[C@@H](C)NC(=O)Nc3ccccc3)CC2)c1 ZINC000053206774 506332206 /nfs/dbraw/zinc/33/22/06/506332206.db2.gz IOHJOFAYKFOLRJ-QGZVFWFLSA-N 0 0 366.465 2.854 10 0 FFAERN [NH3+]CCn1nc(-c2ccnc(-c3cnc4ccccc4c3)c2)cc1C(=O)[O-] ZINC000003962029 506353994 /nfs/dbraw/zinc/35/39/94/506353994.db2.gz IDPLDWUOSVSMNS-UHFFFAOYSA-N 0 0 359.389 2.817 10 0 in-vitro FFAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000366875327 512229143 /nfs/dbraw/zinc/22/91/43/512229143.db2.gz ZBBDLUAFJLJHBZ-MWDXBVQZSA-N 0 0 356.532 2.522 10 0 FFAERN Cc1cccc(C(=O)N2CC[C@H]3OCC[C@H]3C2)c1I ZINC000373307830 512266965 /nfs/dbraw/zinc/26/69/65/512266965.db2.gz WKTHULSOXLDREG-WCQYABFASA-N 0 0 371.218 2.851 10 0 FFAERN CCCc1nc(C)c(C(=O)N2CCC(N3C(=O)CCCC3=O)CC2)s1 ZINC000375329902 512271415 /nfs/dbraw/zinc/27/14/15/512271415.db2.gz BPMUAYJVJRAETI-UHFFFAOYSA-N 0 0 363.483 2.548 10 0 FFAERN CCN(C)C(=O)N1CCN([C@H](C)c2noc(-c3cccc(C)c3)n2)CC1 ZINC000038697213 506442414 /nfs/dbraw/zinc/44/24/14/506442414.db2.gz LINCJASNHHSKBX-OAHLLOKOSA-N 0 0 357.458 2.795 10 0 FFAERN Cc1c(C(=O)N2CCN(c3ncccc3Cl)CC2)[nH]c2c1C(=O)CCC2 ZINC000054100611 506491589 /nfs/dbraw/zinc/49/15/89/506491589.db2.gz WGLXHAQHWINEJK-UHFFFAOYSA-N 0 0 372.856 2.853 10 0 FFAERN COC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000041272768 506501883 /nfs/dbraw/zinc/50/18/83/506501883.db2.gz BTFJOTWGQORIES-YPMHNXCESA-N 0 0 372.343 2.649 10 0 FFAERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000066512181 506544060 /nfs/dbraw/zinc/54/40/60/506544060.db2.gz GRAJEOBDMIOXJX-KRWDZBQOSA-N 0 0 365.495 2.723 10 0 FFAERN CCN(Cc1cccc(F)c1)C(=O)CSc1nnnn1-c1ccccc1 ZINC000007339915 506555035 /nfs/dbraw/zinc/55/50/35/506555035.db2.gz QIOUOIFWSZDUKC-UHFFFAOYSA-N 0 0 371.441 2.942 10 0 FFAERN C[C@@H](NC(=O)NCCN1C(=O)c2ccccc2C1=O)c1ccc(F)c(F)c1 ZINC000054723468 506610532 /nfs/dbraw/zinc/61/05/32/506610532.db2.gz QECRRYVNBWCRBR-LLVKDONJSA-N 0 0 373.359 2.621 10 0 FFAERN COc1ccc(CCNC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1OC ZINC000008115522 506624309 /nfs/dbraw/zinc/62/43/09/506624309.db2.gz TUVQHRDWHKOVJE-GOSISDBHSA-N 0 0 370.449 2.630 10 0 FFAERN Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H]3C(=O)N(C)C)o2)cc1 ZINC000054815265 506628855 /nfs/dbraw/zinc/62/88/55/506628855.db2.gz PMLMIFHDHVJUTI-MRXNPFEDSA-N 0 0 355.438 2.662 10 0 FFAERN Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H](CO)C1 ZINC000371254135 512291098 /nfs/dbraw/zinc/29/10/98/512291098.db2.gz SBTUBKRJLAGXTB-LBPRGKRZSA-N 0 0 362.289 2.541 10 0 FFAERN Cc1cc(S(=O)(=O)N2CCCC[C@@H](CO)C2)sc1Br ZINC000371255386 512291733 /nfs/dbraw/zinc/29/17/33/512291733.db2.gz HKQBPROOPXYGFP-SNVBAGLBSA-N 0 0 368.318 2.602 10 0 FFAERN C=C1C(NCc2ccc3c(c2)OCO3)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000009268447 506687780 /nfs/dbraw/zinc/68/77/80/506687780.db2.gz UECBVPMPYHPHBC-UHFFFAOYSA-N 0 0 374.393 2.817 10 0 FFAERN CC(C)[C@@H](C)NC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000043069098 506693473 /nfs/dbraw/zinc/69/34/73/506693473.db2.gz ZXRWDTNLIGRXHT-CABCVRRESA-N 0 0 364.465 2.524 10 0 FFAERN CC1(C)CO[C@@H](c2ccccc2)CN1S(=O)(=O)N1CCCCCC1 ZINC000066937400 506701438 /nfs/dbraw/zinc/70/14/38/506701438.db2.gz PFBKZHUPMYQCJN-QGZVFWFLSA-N 0 0 352.500 2.959 10 0 FFAERN CCc1nnc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)s1 ZINC000043345131 506737011 /nfs/dbraw/zinc/73/70/11/506737011.db2.gz HAAZWTCXXHNINH-LLVKDONJSA-N 0 0 357.443 2.555 10 0 FFAERN CCN(C(=O)CCNS(=O)(=O)c1ccc(C)cc1)C1CCCCC1 ZINC000010462975 506742525 /nfs/dbraw/zinc/74/25/25/506742525.db2.gz ZVUYMFOEEUNPBZ-UHFFFAOYSA-N 0 0 352.500 2.845 10 0 FFAERN OCc1ccccc1CN1CCN(Cc2ccc3cccc(O)c3n2)CC1 ZINC000055414568 506746342 /nfs/dbraw/zinc/74/63/42/506746342.db2.gz KTVBIAOMXVCZJZ-UHFFFAOYSA-N 0 0 363.461 2.751 10 0 FFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000055450870 506755413 /nfs/dbraw/zinc/75/54/13/506755413.db2.gz KMQRPPSJSCQLCB-COXVUDFISA-N 0 0 356.422 2.518 10 0 FFAERN O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000010895411 506756471 /nfs/dbraw/zinc/75/64/71/506756471.db2.gz SOWVPFPEDZZQQA-CQSZACIVSA-N 0 0 369.446 2.530 10 0 FFAERN C[C@@H](NC(=O)CC(C)(C)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000067129666 506764886 /nfs/dbraw/zinc/76/48/86/506764886.db2.gz RWOMPNXWTYLBAD-CQSZACIVSA-N 0 0 360.479 2.879 10 0 FFAERN Cn1cc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c2ccccc21 ZINC000044248969 506824156 /nfs/dbraw/zinc/82/41/56/506824156.db2.gz HADNSHUIKYFJDU-INIZCTEOSA-N 0 0 354.431 2.827 10 0 FFAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000067320656 506827259 /nfs/dbraw/zinc/82/72/59/506827259.db2.gz BEHLTXWCFGMNOC-OAHLLOKOSA-N 0 0 367.449 2.716 10 0 FFAERN O=C(Nc1cnc(-c2ccccc2)nc1)[C@H]1CCCN(c2ncccn2)C1 ZINC000045143929 506924240 /nfs/dbraw/zinc/92/42/40/506924240.db2.gz MSWZJRGFJYIMLN-INIZCTEOSA-N 0 0 360.421 2.789 10 0 FFAERN Cc1cccc(OCCNC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000045595754 506988965 /nfs/dbraw/zinc/98/89/65/506988965.db2.gz KBEHLHJSDCTVFX-KRWDZBQOSA-N 0 0 374.462 2.592 10 0 FFAERN C[C@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)OCCO2 ZINC000014704275 506997931 /nfs/dbraw/zinc/99/79/31/506997931.db2.gz LNLGEUBCXRMTMY-ZDUSSCGKSA-N 0 0 350.378 2.530 10 0 FFAERN COC(=O)C[C@@H](NC(=O)c1cccc(C[S@](C)=O)c1)c1ccccc1 ZINC000045728097 507007763 /nfs/dbraw/zinc/00/77/63/507007763.db2.gz XVRGXKCSRJEFDQ-CRICUBBOSA-N 0 0 359.447 2.599 10 0 FFAERN COc1cccc(OCC(=O)N2CCC(NC(=O)c3cccs3)CC2)c1 ZINC000056447567 507016952 /nfs/dbraw/zinc/01/69/52/507016952.db2.gz 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O=C(Nc1ccc(F)c(F)c1F)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246735969 510643024 /nfs/dbraw/zinc/64/30/24/510643024.db2.gz OBSVCSMCWLGOPJ-DFKRKDTASA-N 0 0 368.355 2.506 10 0 FFAERN O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)[C@H]1CC(F)(F)CN1 ZINC000263285335 510644468 /nfs/dbraw/zinc/64/44/68/510644468.db2.gz UXCLOEWDNKTUSS-OAHLLOKOSA-N 0 0 351.328 2.626 10 0 FFAERN O=C(c1ccnc(OCc2ccccc2)c1)N1CCN2CCCC[C@@H]2C1 ZINC000195047874 510645564 /nfs/dbraw/zinc/64/55/64/510645564.db2.gz OXTYIGNKVDKPAG-LJQANCHMSA-N 0 0 351.450 2.971 10 0 FFAERN NC(=O)c1ccc(/C=C/C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000181899930 510649743 /nfs/dbraw/zinc/64/97/43/510649743.db2.gz VPSIOKGWEBIYDB-YOCVDRLZSA-N 0 0 354.381 2.618 10 0 FFAERN Cc1ccc2c(c1)[C@@H](NC(=O)N1CCCN(c3cccnn3)CC1)[C@H](C)C2 ZINC000181916496 510657715 /nfs/dbraw/zinc/65/77/15/510657715.db2.gz KCSBHQQCLVMBFE-UZLBHIALSA-N 0 0 365.481 2.940 10 0 FFAERN Cc1cc(C)c(CC(=O)N2CCC(c3ccnn3CCO)CC2)c(C)c1 ZINC000181920183 510659394 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CCCCc1noc(C[S@@](=O)[C@H](C)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000105682182 250220865 /nfs/dbraw/zinc/22/08/65/250220865.db2.gz NXRAVSAFZRCEJB-ODZUORAKSA-N 0 0 363.483 2.927 10 0 FFAERN CCCCc1noc(C[S@@](=O)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000105682177 250220964 /nfs/dbraw/zinc/22/09/64/250220964.db2.gz NXRAVSAFZRCEJB-DZWULXIXSA-N 0 0 363.483 2.927 10 0 FFAERN CCN(C(=O)[C@@H](C)N1CCCN(c2ccc(C)nn2)CC1)c1ccccc1 ZINC000106072949 250231244 /nfs/dbraw/zinc/23/12/44/250231244.db2.gz ULVBXSSXNJCGTP-GOSISDBHSA-N 0 0 367.497 2.739 10 0 FFAERN C[C@H]1CCc2ccccc2N1C(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000106081333 250231929 /nfs/dbraw/zinc/23/19/29/250231929.db2.gz BPSXYBZWFGFXJB-INIZCTEOSA-N 0 0 365.481 2.721 10 0 FFAERN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(Nc2cccnn2)CC1 ZINC000106081714 250232100 /nfs/dbraw/zinc/23/21/00/250232100.db2.gz VPWUNFJYTIANRX-LBPRGKRZSA-N 0 0 361.396 2.658 10 0 FFAERN CCN(C(=O)[C@@H](C)N1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000106081780 250232171 /nfs/dbraw/zinc/23/21/71/250232171.db2.gz BGZWKASEZICSBQ-MRXNPFEDSA-N 0 0 353.470 2.795 10 0 FFAERN Cc1cc(C)c(NC(=O)CN2CCC(Nc3cccnn3)CC2)c(C)c1 ZINC000106082398 250232592 /nfs/dbraw/zinc/23/25/92/250232592.db2.gz GFXPVTZGHDGCFY-UHFFFAOYSA-N 0 0 353.470 2.917 10 0 FFAERN C[C@H](NC(=O)CN1CCC(Nc2cccnn2)CC1)c1ccc(Cl)cc1 ZINC000106081388 250233652 /nfs/dbraw/zinc/23/36/52/250233652.db2.gz HCAFSZWYIDGLLP-AWEZNQCLSA-N 0 0 373.888 2.884 10 0 FFAERN Cc1noc([C@H](C)N2CCN(CC(=O)c3c(C)[nH]c4ccccc43)CC2)n1 ZINC000106131223 250240666 /nfs/dbraw/zinc/24/06/66/250240666.db2.gz SCZWTJYGZDVUBE-AWEZNQCLSA-N 0 0 367.453 2.729 10 0 FFAERN Cc1cccc(C)c1NC(=O)[C@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000106155715 250242671 /nfs/dbraw/zinc/24/26/71/250242671.db2.gz JRNMJORKKQPDPN-SFHVURJKSA-N 0 0 369.513 2.572 10 0 FFAERN COc1ccc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)cc1F ZINC000106151446 250242949 /nfs/dbraw/zinc/24/29/49/250242949.db2.gz NNVXGYNKELXBNO-UHFFFAOYSA-N 0 0 360.433 2.803 10 0 FFAERN Cc1noc([C@H](C)N2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)n1 ZINC000106134448 250244306 /nfs/dbraw/zinc/24/43/06/250244306.db2.gz QBYMSWPLCKKTCX-KBPBESRZSA-N 0 0 368.441 2.868 10 0 FFAERN CN(CC(=O)Nc1ccccc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162182 250245508 /nfs/dbraw/zinc/24/55/08/250245508.db2.gz SKQSGPJYDYFHHO-KRWDZBQOSA-N 0 0 359.495 2.692 10 0 FFAERN Cc1sc2nc([C@H](C)N3CCC[C@H](Cn4cncn4)C3)nc(N)c2c1C ZINC000106173553 250248993 /nfs/dbraw/zinc/24/89/93/250248993.db2.gz ZZOJEHYWWNHQPJ-JSGCOSHPSA-N 0 0 371.514 2.955 10 0 FFAERN COc1ccccc1C(=O)N[C@H](C(=O)N1Cc2ccccc2C1)C(C)C ZINC000106027783 250227041 /nfs/dbraw/zinc/22/70/41/250227041.db2.gz HWMPEGYSPXJCDB-IBGZPJMESA-N 0 0 352.434 2.992 10 0 FFAERN CC(C)c1nc2c(n1C)CCN(CC(=O)N1c3ccccc3C[C@H]1C)C2 ZINC000106369918 250265907 /nfs/dbraw/zinc/26/59/07/250265907.db2.gz WTTPURQQYCSESI-OAHLLOKOSA-N 0 0 352.482 2.879 10 0 FFAERN CN(C)[C@H](Cc1ccccc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000106455979 250271529 /nfs/dbraw/zinc/27/15/29/250271529.db2.gz 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250255416 /nfs/dbraw/zinc/25/54/16/250255416.db2.gz GTZLXPCISJEBED-MRXNPFEDSA-N 0 0 372.469 2.830 10 0 FFAERN CCNC(=O)c1cccc(CNC(=O)NCc2ccc(OCC)c(F)c2)c1 ZINC000106265039 250262083 /nfs/dbraw/zinc/26/20/83/250262083.db2.gz WLBMXKBJAUPTPT-UHFFFAOYSA-N 0 0 373.428 2.974 10 0 FFAERN Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2c(C)nn(C)c2Cl)s1 ZINC000106897037 250298269 /nfs/dbraw/zinc/29/82/69/250298269.db2.gz SOMKUAOVTPAHJX-VIFPVBQESA-N 0 0 362.908 2.837 10 0 FFAERN COc1cc(C)cc(C(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)c1O ZINC000106916609 250300840 /nfs/dbraw/zinc/30/08/40/250300840.db2.gz FUPKODVSMCJPRT-INIZCTEOSA-N 0 0 352.394 2.655 10 0 FFAERN CC(=O)N1CCc2cc(NC(=O)N3CCO[C@@H](c4nccs4)C3)ccc21 ZINC000111714807 250315596 /nfs/dbraw/zinc/31/55/96/250315596.db2.gz XQLFTKUBFMQNOE-MRXNPFEDSA-N 0 0 372.450 2.658 10 0 FFAERN CCOc1ccccc1NC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000111706551 250315606 /nfs/dbraw/zinc/31/56/06/250315606.db2.gz AEIZFWAZUFWIEL-MRXNPFEDSA-N 0 0 358.442 2.832 10 0 FFAERN 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GJICSZDANBSIGE-CYBMUJFWSA-N 0 0 352.406 2.699 10 0 FFAERN Cc1cccc(O[C@@H](C)C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000122475738 508541247 /nfs/dbraw/zinc/54/12/47/508541247.db2.gz JJOMIPGRAPXRJJ-DLBZAZTESA-N 0 0 354.454 2.680 10 0 FFAERN Cc1ccc(OC2CCN(C(=O)[C@H]3CCCN3C(=O)C3CC3)CC2)cc1 ZINC000116652936 508542229 /nfs/dbraw/zinc/54/22/29/508542229.db2.gz KFFQYDXNLDSCTM-LJQANCHMSA-N 0 0 356.466 2.766 10 0 FFAERN COC(=O)c1cc(I)cc(NC(=O)N[C@H]2C[C@H]2C)c1 ZINC000153049135 508542971 /nfs/dbraw/zinc/54/29/71/508542971.db2.gz IOTQBMDIEMRVJF-HQJQHLMTSA-N 0 0 374.178 2.608 10 0 FFAERN C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)C(=O)NC(C)(C)C ZINC000122515200 508547689 /nfs/dbraw/zinc/54/76/89/508547689.db2.gz GUSSCTYNOSKZKU-DGCLKSJQSA-N 0 0 359.392 2.762 10 0 FFAERN Cc1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1 ZINC000134591741 508549592 /nfs/dbraw/zinc/54/95/92/508549592.db2.gz PLUURKGTTBIHJP-RHSMWYFYSA-N 0 0 360.360 2.546 10 0 FFAERN COc1cc2c(c(CN3CCO[C@H](Cn4nc(C)cc4C)C3)c1)O[C@H](C)C2 ZINC000122530248 508549939 /nfs/dbraw/zinc/54/99/39/508549939.db2.gz NVSJTYSSMPHUPK-UZLBHIALSA-N 0 0 371.481 2.733 10 0 FFAERN O=C(NC1CC1)c1cccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000157355231 508556034 /nfs/dbraw/zinc/55/60/34/508556034.db2.gz BKRXRMIQLBQYQG-MGPUTAFESA-N 0 0 357.454 2.738 10 0 FFAERN CCOCCN1CCN(C(=O)c2ccn(-c3ccccc3F)n2)C[C@@H]1CC ZINC000116767250 508556618 /nfs/dbraw/zinc/55/66/18/508556618.db2.gz GNHRFPSCFHGNMB-INIZCTEOSA-N 0 0 374.460 2.584 10 0 FFAERN CCOCCN1CCN(C(=O)c2cc3c(c(Cl)c2)OCO3)C[C@@H]1CC ZINC000116767425 508556718 /nfs/dbraw/zinc/55/67/18/508556718.db2.gz UAYYAEZBTCHQHA-AWEZNQCLSA-N 0 0 368.861 2.642 10 0 FFAERN CCOCCN1CCN(C(=O)c2cnc(-c3ccccn3)s2)C[C@H]1CC ZINC000116766851 508557465 /nfs/dbraw/zinc/55/74/65/508557465.db2.gz ZFJCDJAUPGDTAM-OAHLLOKOSA-N 0 0 374.510 2.778 10 0 FFAERN Cc1ccc(OCC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cc1C ZINC000122586863 508558260 /nfs/dbraw/zinc/55/82/60/508558260.db2.gz GFMSXNCGOJJEAB-KRWDZBQOSA-N 0 0 354.454 2.600 10 0 FFAERN CCOCCN1CCN(C(=O)c2ccc(N3CCC(C)=N3)cc2)C[C@@H]1CC ZINC000116771434 508558693 /nfs/dbraw/zinc/55/86/93/508558693.db2.gz ODWIKEJCDPQACJ-IBGZPJMESA-N 0 0 372.513 2.846 10 0 FFAERN CC(=O)Nc1cc(C(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)ccc1C ZINC000116773110 508558976 /nfs/dbraw/zinc/55/89/76/508558976.db2.gz KKKCILFNLWMIRL-QGZVFWFLSA-N 0 0 369.469 2.714 10 0 FFAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000122592243 508559316 /nfs/dbraw/zinc/55/93/16/508559316.db2.gz NHHHPWAJFWRDDN-MRXNPFEDSA-N 0 0 373.432 2.773 10 0 FFAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(-n3ccnn3)c2)cc1F ZINC000128185401 508559569 /nfs/dbraw/zinc/55/95/69/508559569.db2.gz LVVJUDCQRRRMSP-ZDUSSCGKSA-N 0 0 367.384 2.531 10 0 FFAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(-n3ccnn3)c2)cc1F ZINC000128185176 508559933 /nfs/dbraw/zinc/55/99/33/508559933.db2.gz LVVJUDCQRRRMSP-CYBMUJFWSA-N 0 0 367.384 2.531 10 0 FFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)n1 ZINC000116780221 508560390 /nfs/dbraw/zinc/56/03/90/508560390.db2.gz NUNMKBFVQRKYID-MRXNPFEDSA-N 0 0 351.454 2.939 10 0 FFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Cc3noc4ccccc43)C2)n1 ZINC000116782628 508560427 /nfs/dbraw/zinc/56/04/27/508560427.db2.gz JRDLXLJBAUBKMD-OAHLLOKOSA-N 0 0 353.426 2.517 10 0 FFAERN COc1cccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1 ZINC000122622532 508564271 /nfs/dbraw/zinc/56/42/71/508564271.db2.gz BJONCNHFKPSWSL-IEBWSBKVSA-N 0 0 356.397 2.670 10 0 FFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCc2c1cccc2Cl ZINC000122637529 508565494 /nfs/dbraw/zinc/56/54/94/508565494.db2.gz AKAYGCLUJGJIMC-ZDUSSCGKSA-N 0 0 361.833 2.685 10 0 FFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Nc3cnc(C4CC4)nc3)C2)n1 ZINC000117006186 508575394 /nfs/dbraw/zinc/57/53/94/508575394.db2.gz AYLLSFJHMREXBE-CQSZACIVSA-N 0 0 355.446 2.506 10 0 FFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NC[C@@H]3Cc4ccccc43)C2)n1 ZINC000117037626 508576276 /nfs/dbraw/zinc/57/62/76/508576276.db2.gz HQNZFVAINIOERC-AEFFLSMTSA-N 0 0 353.470 2.656 10 0 FFAERN CCC[C@H](N[C@H](C)c1cccc(S(=O)(=O)NC)c1)C(=O)OC(C)(C)C ZINC000157511277 508576489 /nfs/dbraw/zinc/57/64/89/508576489.db2.gz ULSQDUXLEFTUQD-CJNGLKHVSA-N 0 0 370.515 2.756 10 0 FFAERN CCCO[C@@H]1CCCN(c2c3cnn(C)c3ncc2C(=O)OCC)CC1 ZINC000128352494 508581572 /nfs/dbraw/zinc/58/15/72/508581572.db2.gz YZNTVRLPKXKGEB-CQSZACIVSA-N 0 0 360.458 2.931 10 0 FFAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCCNC(=O)c3ccco3)C2)cc1 ZINC000122762214 508583553 /nfs/dbraw/zinc/58/35/53/508583553.db2.gz AUIBDMNICMAIRX-GDBMZVCRSA-N 0 0 371.437 2.606 10 0 FFAERN CCOC(=O)c1c(C)csc1NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000153464731 508586413 /nfs/dbraw/zinc/58/64/13/508586413.db2.gz DEIRXYBKFFWMLS-ZDUSSCGKSA-N 0 0 351.472 2.935 10 0 FFAERN CCOCCN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C[C@@H]1C ZINC000117279431 508586661 /nfs/dbraw/zinc/58/66/61/508586661.db2.gz ZMEBFEYTOURAAM-NUEKZKHPSA-N 0 0 352.425 2.638 10 0 FFAERN CCOCCN1CCN(C(=O)C(C)(C)Oc2ccc(F)cc2)C[C@@H]1C ZINC000117278811 508587137 /nfs/dbraw/zinc/58/71/37/508587137.db2.gz ODMKPQFMCIEDHV-HNNXBMFYSA-N 0 0 352.450 2.552 10 0 FFAERN CCOCCN1CCN(C(=O)c2ccccc2Br)C[C@@H]1C ZINC000117280277 508587580 /nfs/dbraw/zinc/58/75/80/508587580.db2.gz WZKHNYHNFGORGF-ZDUSSCGKSA-N 0 0 355.276 2.632 10 0 FFAERN CCOCCN1CCN(C(=O)CCC(=O)c2ccc(CC)cc2)C[C@H]1C ZINC000117281839 508588304 /nfs/dbraw/zinc/58/83/04/508588304.db2.gz FYBCLQSRRYTFIL-QGZVFWFLSA-N 0 0 360.498 2.781 10 0 FFAERN CCc1c(C(=O)N2CCN(CCOC)[C@H](CC)C2)cnn1-c1ccccc1 ZINC000117305006 508591484 /nfs/dbraw/zinc/59/14/84/508591484.db2.gz FIMHQRBSZNDBLJ-QGZVFWFLSA-N 0 0 370.497 2.618 10 0 FFAERN CC(C)C[C@H](C)CC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000117310576 508592358 /nfs/dbraw/zinc/59/23/58/508592358.db2.gz FRVDWPAJLNTDSR-OALUTQOASA-N 0 0 362.514 2.643 10 0 FFAERN C[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1nnc2n1CCCC2 ZINC000135348748 508594098 /nfs/dbraw/zinc/59/40/98/508594098.db2.gz HZCZXRNGSKOBMY-NSHDSACASA-N 0 0 358.829 2.921 10 0 FFAERN O=C(c1ccncc1)N1CCCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000122849478 508595652 /nfs/dbraw/zinc/59/56/52/508595652.db2.gz YDPRRAJJVCSIBQ-UHFFFAOYSA-N 0 0 361.804 2.862 10 0 FFAERN COCCN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2O)C[C@H]1C ZINC000117425269 508597349 /nfs/dbraw/zinc/59/73/49/508597349.db2.gz MCPPUTJCVIPICL-QGZVFWFLSA-N 0 0 368.477 2.776 10 0 FFAERN COCCN1CCN(C(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000117433327 508598536 /nfs/dbraw/zinc/59/85/36/508598536.db2.gz JJSGEDWPNQTRBS-GFCCVEGCSA-N 0 0 356.264 2.634 10 0 FFAERN CCOCCN1CCN(C(=O)Nc2ccc(NC(=O)CC)cc2)C[C@H]1C ZINC000117444492 508599997 /nfs/dbraw/zinc/59/99/97/508599997.db2.gz IAFZSPKOBWXXMH-OAHLLOKOSA-N 0 0 362.474 2.610 10 0 FFAERN COCCN1CCN(C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)C[C@H]1C ZINC000117472354 508600985 /nfs/dbraw/zinc/60/09/85/508600985.db2.gz QPVUMJCRKASNFN-VQIMIIECSA-N 0 0 363.502 2.754 10 0 FFAERN CNc1cc(N2CCC[C@H]2CNC(=O)N([C@@H](C)C(C)C)C2CC2)ncn1 ZINC000122890576 508603313 /nfs/dbraw/zinc/60/33/13/508603313.db2.gz JKLUOLWRZKYUQY-HOCLYGCPSA-N 0 0 360.506 2.706 10 0 FFAERN Cc1cc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(C)cc1Br ZINC000157738625 508604987 /nfs/dbraw/zinc/60/49/87/508604987.db2.gz IVSSBHOPZQUWGM-ZIAGYGMSSA-N 0 0 369.303 2.593 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000128534596 508607005 /nfs/dbraw/zinc/60/70/05/508607005.db2.gz VXRRMVDFMGGZRU-CQSZACIVSA-N 0 0 355.410 2.750 10 0 FFAERN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCCN(c2cccnn2)CC1 ZINC000135470184 508609612 /nfs/dbraw/zinc/60/96/12/508609612.db2.gz SSUMCHBNTWYKFT-UHFFFAOYSA-N 0 0 367.384 2.623 10 0 FFAERN CC(C)Oc1cc(CN(C(=O)[C@@H](C)NC(=O)c2ccco2)C2CC2)ccn1 ZINC000122966469 508615365 /nfs/dbraw/zinc/61/53/65/508615365.db2.gz DEICEJHEURICBX-CQSZACIVSA-N 0 0 371.437 2.771 10 0 FFAERN O=C(NCCCc1nc2ccccc2[nH]1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000157813200 508616627 /nfs/dbraw/zinc/61/66/27/508616627.db2.gz LNFBUKKQTVVGSF-MGPUTAFESA-N 0 0 356.470 2.832 10 0 FFAERN Cc1ccc([C@H]2CN(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)CCO2)o1 ZINC000153657504 508618949 /nfs/dbraw/zinc/61/89/49/508618949.db2.gz RLZPURBQJORSSU-CYBMUJFWSA-N 0 0 371.315 2.901 10 0 FFAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)O1 ZINC000157829444 508619274 /nfs/dbraw/zinc/61/92/74/508619274.db2.gz MFNDBTJKRQFTHG-KSSFIOAISA-N 0 0 374.462 2.671 10 0 FFAERN Cc1cnn(CCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000117816820 508619449 /nfs/dbraw/zinc/61/94/49/508619449.db2.gz DYMKAPXKHFSCOA-UHFFFAOYSA-N 0 0 354.435 2.935 10 0 FFAERN CCc1csc([C@H]2CCCN(C(=O)c3c(=O)[nH]nc(CC)c3CC)C2)n1 ZINC000135560710 508623536 /nfs/dbraw/zinc/62/35/36/508623536.db2.gz CVZUNXYXMKIPIM-LBPRGKRZSA-N 0 0 374.510 2.933 10 0 FFAERN Cc1cccc(N2CCC(NC(=O)N[C@@H](C)C[C@@H](O)c3ccco3)CC2)n1 ZINC000153681708 508624380 /nfs/dbraw/zinc/62/43/80/508624380.db2.gz UYZYZWPHMUOTKH-DOTOQJQBSA-N 0 0 372.469 2.763 10 0 FFAERN COc1ccc([C@H](C)NC(=O)NC[C@H](O)c2ccsc2)cc1OC ZINC000153691607 508626813 /nfs/dbraw/zinc/62/68/13/508626813.db2.gz JPCVJCWRPXURFI-FZMZJTMJSA-N 0 0 350.440 2.859 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C[C@@H]1CCC[C@H](NC(=O)N2CCN(Cc3nccn3C(F)F)CC2)C1 ZINC000103307489 508305927 /nfs/dbraw/zinc/30/59/27/508305927.db2.gz XQDXKDHTOLEJKI-KGLIPLIRSA-N 0 0 355.433 2.684 10 0 FFAERN COC[C@@H](C)C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000103383234 508310000 /nfs/dbraw/zinc/31/00/00/508310000.db2.gz POSIWCKFLPZMMI-ZJUUUORDSA-N 0 0 358.232 2.680 10 0 FFAERN NC(=O)COc1ccc(/C=C/C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000114435591 508313996 /nfs/dbraw/zinc/31/39/96/508313996.db2.gz AJDMPMQTRIYYFY-TYOLEZHBSA-N 0 0 354.450 2.913 10 0 FFAERN CC(C)Cc1nnc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)s1 ZINC000103730173 508320610 /nfs/dbraw/zinc/32/06/10/508320610.db2.gz SWNMOYZDCSZQPV-UHFFFAOYSA-N 0 0 363.834 2.618 10 0 FFAERN CS(=O)(=O)c1ccc(OCCCN2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114482952 508320623 /nfs/dbraw/zinc/32/06/23/508320623.db2.gz CYBKYKDJTQGOAJ-SFHVURJKSA-N 0 0 363.483 2.809 10 0 FFAERN CCOC(=O)c1ccc(NC(=O)CN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114482866 508320754 /nfs/dbraw/zinc/32/07/54/508320754.db2.gz 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Cc1ccc(NC(=O)C(=O)N[C@H]2COc3ccccc32)cc1OC(F)F ZINC000114841075 508352583 /nfs/dbraw/zinc/35/25/83/508352583.db2.gz WJWBAGZGKBLLDK-ZDUSSCGKSA-N 0 0 362.332 2.785 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(Cl)c3cccnc13)CC2 ZINC000114862991 508354871 /nfs/dbraw/zinc/35/48/71/508354871.db2.gz MEOQJTZUALBKEB-NSHDSACASA-N 0 0 355.829 2.787 10 0 FFAERN CCCc1ccc(C(=O)CCC(=O)N[C@@H]2CCc3nc(CC)nn3C2)cc1 ZINC000114863429 508354909 /nfs/dbraw/zinc/35/49/09/508354909.db2.gz LSDADZAQEYWQJA-QGZVFWFLSA-N 0 0 368.481 2.887 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1)CC2 ZINC000114862769 508355006 /nfs/dbraw/zinc/35/50/06/508355006.db2.gz PURMSPPRWQUZTC-GDBMZVCRSA-N 0 0 356.470 2.862 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)COc1ccc(F)c(Cl)c1 ZINC000087562693 508355272 /nfs/dbraw/zinc/35/52/72/508355272.db2.gz TZJNMVACQKYSSB-CYBMUJFWSA-N 0 0 352.797 2.663 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCC(=O)c1cc(C)sc1C)CC2 ZINC000114866196 508355472 /nfs/dbraw/zinc/35/54/72/508355472.db2.gz 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ZINC000134097507 508492136 /nfs/dbraw/zinc/49/21/36/508492136.db2.gz MNPRZWUSMCMHHN-ZDUSSCGKSA-N 0 0 363.421 2.665 10 0 FFAERN O=C(NCc1ccccc1Cn1cccn1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000156887995 508492549 /nfs/dbraw/zinc/49/25/49/508492549.db2.gz GSPPEBPQDBTRNB-CTNGQTDRSA-N 0 0 368.481 2.768 10 0 FFAERN O=C(CN1CCC[C@@H]1c1ccco1)Nc1ccc(CN2CCOCC2)cc1 ZINC000116294332 508495938 /nfs/dbraw/zinc/49/59/38/508495938.db2.gz XZIBGZQCIVTFSE-LJQANCHMSA-N 0 0 369.465 2.887 10 0 FFAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CSc1cccc(Br)c1 ZINC000156916010 508496220 /nfs/dbraw/zinc/49/62/20/508496220.db2.gz FLSSYPRIHDOKBC-CYBMUJFWSA-N 0 0 371.300 2.620 10 0 FFAERN COC(=O)Nc1ccc(CNC(=O)CN2CCC[C@H]2c2ccco2)cc1 ZINC000116296120 508496217 /nfs/dbraw/zinc/49/62/17/508496217.db2.gz WUDXZKDIJVKFKP-INIZCTEOSA-N 0 0 357.410 2.911 10 0 FFAERN COc1ccc(-c2cncc(C(=O)N3CCC[C@H](n4cncn4)C3)c2)cc1 ZINC000134133518 508497712 /nfs/dbraw/zinc/49/77/12/508497712.db2.gz ONPVFZOUCOAAGW-SFHVURJKSA-N 0 0 363.421 2.826 10 0 FFAERN CC(C)Oc1cccc(CC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000122206933 508499133 /nfs/dbraw/zinc/49/91/33/508499133.db2.gz IHGHWDVDZXOXOG-SFHVURJKSA-N 0 0 368.481 2.934 10 0 FFAERN CN(C(=O)Cc1c[nH]c2cc(F)ccc12)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122212403 508499986 /nfs/dbraw/zinc/49/99/86/508499986.db2.gz MUOHLPZXWXIURK-MRXNPFEDSA-N 0 0 367.428 2.767 10 0 FFAERN C[C@@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1nc2ccccc2[nH]1 ZINC000127792527 508500567 /nfs/dbraw/zinc/50/05/67/508500567.db2.gz OGDXBBMUPAGJMR-UKRRQHHQSA-N 0 0 351.410 2.882 10 0 FFAERN COc1ccc(C(=O)CCCC(=O)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000134153888 508500686 /nfs/dbraw/zinc/50/06/86/508500686.db2.gz DZNFCEZTABWXMG-CQSZACIVSA-N 0 0 370.453 2.853 10 0 FFAERN Cc1cc(N(C)C)cc(C)c1NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000156948758 508501243 /nfs/dbraw/zinc/50/12/43/508501243.db2.gz DAMGMJPEYXEIOP-WMZOPIPTSA-N 0 0 360.502 2.554 10 0 FFAERN COc1ccc(OCCCC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000134171333 508502828 /nfs/dbraw/zinc/50/28/28/508502828.db2.gz HSHJIUAZQVCNFH-HNNXBMFYSA-N 0 0 372.469 2.700 10 0 FFAERN CN(C(=O)c1nc(Cl)ccc1Cl)[C@H]1CCCN(c2cccnn2)C1 ZINC000122271303 508510050 /nfs/dbraw/zinc/51/00/50/508510050.db2.gz YPNGZPRWINASCB-NSHDSACASA-N 0 0 366.252 2.919 10 0 FFAERN CN(CCCCNC(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000116423769 508511881 /nfs/dbraw/zinc/51/18/81/508511881.db2.gz AAFAXXCUPPIWCQ-KRWDZBQOSA-N 0 0 355.486 2.836 10 0 FFAERN Cc1cnn(CCNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000134260486 508514198 /nfs/dbraw/zinc/51/41/98/508514198.db2.gz LVCSKBWMHMSEJM-DLBZAZTESA-N 0 0 361.877 2.590 10 0 FFAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2nccc3ccccc32)C1 ZINC000134287723 508517029 /nfs/dbraw/zinc/51/70/29/508517029.db2.gz PVEFQDDAUZBDAV-YJBOKZPZSA-N 0 0 350.422 2.554 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000157069405 508517733 /nfs/dbraw/zinc/51/77/33/508517733.db2.gz SIQMSUBSZWQKEF-GFCCVEGCSA-N 0 0 374.388 2.673 10 0 FFAERN COCCOc1ccc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1F ZINC000116491664 508520836 /nfs/dbraw/zinc/52/08/36/508520836.db2.gz VVVMSYHQJYPTGC-ZDUSSCGKSA-N 0 0 362.405 2.606 10 0 FFAERN COC(=O)N(C)c1ccc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116491962 508521017 /nfs/dbraw/zinc/52/10/17/508521017.db2.gz URQDZNXPPAIFCO-ZDUSSCGKSA-N 0 0 357.414 2.644 10 0 FFAERN Cc1ccccc1SCC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000134352505 508523725 /nfs/dbraw/zinc/52/37/25/508523725.db2.gz GZFPMIYOBFKINY-QAPCUYQASA-N 0 0 359.495 2.793 10 0 FFAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000157111901 508524202 /nfs/dbraw/zinc/52/42/02/508524202.db2.gz SQKGTLVAAMUIRN-FRQCXROJSA-N 0 0 373.497 2.996 10 0 FFAERN CCCN(C)c1ccc(C(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000134377988 508526623 /nfs/dbraw/zinc/52/66/23/508526623.db2.gz WGNCQRBTIWUZTC-HKUYNNGSSA-N 0 0 370.497 2.852 10 0 FFAERN C[C@@H]1C[C@H](C)CCN(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1 ZINC000122389559 508526928 /nfs/dbraw/zinc/52/69/28/508526928.db2.gz WXDRRFJEKBAWTL-ZIAGYGMSSA-N 0 0 353.488 2.837 10 0 FFAERN CC(C)(C)OC(=O)CN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152883224 508527964 /nfs/dbraw/zinc/52/79/64/508527964.db2.gz WGBHBPCMJDJJRP-UHFFFAOYSA-N 0 0 357.454 2.801 10 0 FFAERN CC(C)[C@H](C)NC(=O)CN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152887056 508528519 /nfs/dbraw/zinc/52/85/19/508528519.db2.gz YQUPDRZJXQJEEY-KRWDZBQOSA-N 0 0 370.497 2.620 10 0 FFAERN C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(S(N)(=O)=O)c2)c2ccccc21 ZINC000122397971 508528657 /nfs/dbraw/zinc/52/86/57/508528657.db2.gz UHYPNMUWPOFQSW-FZKQIMNGSA-N 0 0 373.478 2.772 10 0 FFAERN Cc1nnc([C@H](C)N2CCN(Cc3nc(-c4ccccc4)co3)CC2)o1 ZINC000152899596 508529515 /nfs/dbraw/zinc/52/95/15/508529515.db2.gz COQPZZJLQBVJAJ-AWEZNQCLSA-N 0 0 353.426 2.912 10 0 FFAERN CCc1csc([C@@H]2CCCN(C(=O)N[C@H]3CCc4n[nH]cc4C3)C2)n1 ZINC000122411977 508530459 /nfs/dbraw/zinc/53/04/59/508530459.db2.gz XOEBIPCLTZRKCU-DOMZBBRYSA-N 0 0 359.499 2.875 10 0 FFAERN Cn1cc([C@@H]2CCN(C(=O)N[C@H]3CCCN(c4cccc(F)c4)C3)C2)cn1 ZINC000116565821 508530930 /nfs/dbraw/zinc/53/09/30/508530930.db2.gz RVOOCBPQRZJZNX-QAPCUYQASA-N 0 0 371.460 2.727 10 0 FFAERN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCC[C@H]3c3ccco3)c2)no1 ZINC000116576037 508532665 /nfs/dbraw/zinc/53/26/65/508532665.db2.gz SYCCCDLFJVJTIB-HNNXBMFYSA-N 0 0 366.377 2.940 10 0 FFAERN CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116578401 508533289 /nfs/dbraw/zinc/53/32/89/508533289.db2.gz XBCWVIXQJDIBQO-MRXNPFEDSA-N 0 0 369.421 2.640 10 0 FFAERN CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)c(C)c1 ZINC000116578403 508533372 /nfs/dbraw/zinc/53/33/72/508533372.db2.gz XBCWVIXQJDIBQO-INIZCTEOSA-N 0 0 369.421 2.640 10 0 FFAERN C[C@H](NC(=O)Nc1cccc(-c2nccn2C)c1)c1nnc2n1CCCC2 ZINC000122429715 508533960 /nfs/dbraw/zinc/53/39/60/508533960.db2.gz QTAABVMXQPLGOP-ZDUSSCGKSA-N 0 0 365.441 2.898 10 0 FFAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1nc2ccc(Cl)cn2n1)C(C)C ZINC000157188576 508535042 /nfs/dbraw/zinc/53/50/42/508535042.db2.gz RUXUOFNGUCKCAM-CQSZACIVSA-N 0 0 351.838 2.508 10 0 FFAERN CC(=O)[C@@H]1C[C@H](C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)C1(C)C ZINC000157194898 508535926 /nfs/dbraw/zinc/53/59/26/508535926.db2.gz MZQPBUIWLRIIKL-FAYQHZLMSA-N 0 0 351.393 2.850 10 0 FFAERN CCC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC000152998191 508538361 /nfs/dbraw/zinc/53/83/61/508538361.db2.gz QJOYEXYNOWWIPP-CYBMUJFWSA-N 0 0 354.834 2.905 10 0 FFAERN O=S(=O)(c1ccccc1OC(F)F)N1CCC(c2cc[nH]n2)CC1 ZINC000122458840 508538655 /nfs/dbraw/zinc/53/86/55/508538655.db2.gz KMDASDCWYZRPKE-UHFFFAOYSA-N 0 0 357.382 2.579 10 0 FFAERN C[C@H](NC(=O)NCc1nc2ccccc2s1)c1nnc2n1CCCC2 ZINC000157241330 508541615 /nfs/dbraw/zinc/54/16/15/508541615.db2.gz OOBFOLOXPBGSJD-NSHDSACASA-N 0 0 356.455 2.785 10 0 FFAERN CC(C)(C)OC[C@H](O)CN1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000128066398 508542318 /nfs/dbraw/zinc/54/23/18/508542318.db2.gz MBLPGRNVSXMYKT-ZBFHGGJFSA-N 0 0 359.413 2.837 10 0 FFAERN Cc1cc(Cl)ccc1OCC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122491160 508543638 /nfs/dbraw/zinc/54/36/38/508543638.db2.gz DWWQDKVINDXZDW-MRXNPFEDSA-N 0 0 374.872 2.945 10 0 FFAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC1(O)CCCCC1 ZINC000153115767 508548889 /nfs/dbraw/zinc/54/88/89/508548889.db2.gz RLSKLMFQTFWVBD-MRXNPFEDSA-N 0 0 366.889 2.906 10 0 FFAERN CCOCCN1CCN(C(=O)c2cc(C)n(-c3ccccc3)n2)C[C@@H]1CC ZINC000116769336 508558094 /nfs/dbraw/zinc/55/80/94/508558094.db2.gz OQWZGUJZOBBXDI-SFHVURJKSA-N 0 0 370.497 2.754 10 0 FFAERN COCCN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C[C@@H]1C ZINC000122592102 508559184 /nfs/dbraw/zinc/55/91/84/508559184.db2.gz FUJUUFXOPZPFIQ-HOCLYGCPSA-N 0 0 373.419 2.522 10 0 FFAERN COc1ccc(CCC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000116773380 508559277 /nfs/dbraw/zinc/55/92/77/508559277.db2.gz RAPXEZGLLKRCHD-SFHVURJKSA-N 0 0 356.470 2.775 10 0 FFAERN COCCN1CCN(C(=O)c2ccc(OC)c(-c3ccccn3)c2)C[C@@H]1C ZINC000122608048 508561375 /nfs/dbraw/zinc/56/13/75/508561375.db2.gz 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2.872 10 0 FFAERN O=C(NC[C@H]1CCc2ccccc21)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000173013668 509349625 /nfs/dbraw/zinc/34/96/25/509349625.db2.gz VZIBVPREHLMOLW-XLIONFOSSA-N 0 0 363.461 2.923 10 0 FFAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(F)ccc3O)C[C@@H]12 ZINC000248524816 509351323 /nfs/dbraw/zinc/35/13/23/509351323.db2.gz UAHRSDMUVAZJMX-KCPJHIHWSA-N 0 0 364.417 2.907 10 0 FFAERN CN(C)C(=O)c1ccc(N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)nc1 ZINC000182649164 509351653 /nfs/dbraw/zinc/35/16/53/509351653.db2.gz MZAMQPIOYJYEFM-HRCADAONSA-N 0 0 374.485 2.523 10 0 FFAERN CCc1cnc(CN(C)C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)s1 ZINC000176160061 509353970 /nfs/dbraw/zinc/35/39/70/509353970.db2.gz QDCASTOMRGIKAA-AWEZNQCLSA-N 0 0 358.467 2.973 10 0 FFAERN CCO[C@@H]1C[C@H](NC(=O)NCCc2cc(F)ccc2F)C12CCOCC2 ZINC000185788957 509356131 /nfs/dbraw/zinc/35/61/31/509356131.db2.gz LWVPBFKVSZDZAM-DLBZAZTESA-N 0 0 368.424 2.781 10 0 FFAERN CNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2ccc(C)o2)c(C)o1 ZINC000176169515 509358502 /nfs/dbraw/zinc/35/85/02/509358502.db2.gz QASORGXLKACBQW-AWEZNQCLSA-N 0 0 366.439 2.765 10 0 FFAERN CCN(C1CCN(C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1)S(C)(=O)=O ZINC000248548198 509358529 /nfs/dbraw/zinc/35/85/29/509358529.db2.gz JUUONJUTPSQNCF-HUUCEWRRSA-N 0 0 358.548 2.721 10 0 FFAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC(C)(C)C1 ZINC000248561385 509364483 /nfs/dbraw/zinc/36/44/83/509364483.db2.gz MOTWQBUQGCSCSP-ZACQAIPSSA-N 0 0 350.503 2.546 10 0 FFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1ccc(OC)cc1OC ZINC000176183613 509365935 /nfs/dbraw/zinc/36/59/35/509365935.db2.gz PEFKZXQQQCSDLB-HNNXBMFYSA-N 0 0 373.457 2.534 10 0 FFAERN C[C@@H](NC(=O)c1ccncc1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000192138039 509366005 /nfs/dbraw/zinc/36/60/05/509366005.db2.gz SAOIVXXXYVHDPH-SNVBAGLBSA-N 0 0 372.368 2.995 10 0 FFAERN Cn1c2ccccc2nc1C(C)(C)NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000248564672 509366854 /nfs/dbraw/zinc/36/68/54/509366854.db2.gz HXZGZDRDIVXFHV-DAXOMENPSA-N 0 0 356.470 2.921 10 0 FFAERN O=C(c1ccncc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000173048007 509368841 /nfs/dbraw/zinc/36/88/41/509368841.db2.gz WWUMQMKLJNZYLM-DLBZAZTESA-N 0 0 353.422 2.891 10 0 FFAERN Cc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)c(C)c(C)c1O ZINC000185831499 509377929 /nfs/dbraw/zinc/37/79/29/509377929.db2.gz ZLYDLUHIGJATJK-YJBOKZPZSA-N 0 0 370.453 2.599 10 0 FFAERN CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](C)C[C@H](C)C2)c1 ZINC000163472215 509379682 /nfs/dbraw/zinc/37/96/82/509379682.db2.gz TVUCQUZOLVYSNU-KGLIPLIRSA-N 0 0 352.500 2.801 10 0 FFAERN CC(C)Cn1ncc(C(=O)N2CCC[C@H](n3cncn3)C2)c1C(F)F ZINC000179333817 509380934 /nfs/dbraw/zinc/38/09/34/509380934.db2.gz VNDIQIORIOHMSQ-LBPRGKRZSA-N 0 0 352.389 2.546 10 0 FFAERN Cc1ccoc1C(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192162556 509382878 /nfs/dbraw/zinc/38/28/78/509382878.db2.gz NUPPJVOGMNHYAG-HNNXBMFYSA-N 0 0 350.459 2.856 10 0 FFAERN Cc1cccc(C(=O)N[C@@H]2CCC[C@H](O)C2)c1I ZINC000225899683 509391569 /nfs/dbraw/zinc/39/15/69/509391569.db2.gz RYNIRPNLBIVXKB-MNOVXSKESA-N 0 0 359.207 2.633 10 0 FFAERN Cc1ccc2nc(CSCC(=O)N3CCCC[C@H]3c3nc[nH]n3)cn2c1 ZINC000179347466 509391403 /nfs/dbraw/zinc/39/14/03/509391403.db2.gz VVARQXOACQMSGA-HNNXBMFYSA-N 0 0 370.482 2.748 10 0 FFAERN CCc1nccn1[C@H]1CCCN(C(=O)c2cc(OCC(F)F)ccn2)C1 ZINC000182723817 509393819 /nfs/dbraw/zinc/39/38/19/509393819.db2.gz NIVKZDMFMHEXTH-ZDUSSCGKSA-N 0 0 364.396 2.962 10 0 FFAERN CCn1cc([C@@H]2CN(C(=O)Nc3ccc(-c4ncon4)cc3)CCO2)cn1 ZINC000192197549 509397807 /nfs/dbraw/zinc/39/78/07/509397807.db2.gz ZWKXFUBWAWUAPE-INIZCTEOSA-N 0 0 368.397 2.558 10 0 FFAERN CCn1cc([C@H]2CN(C(=O)Nc3cc(F)c(F)cc3F)CCO2)cn1 ZINC000192212508 509406427 /nfs/dbraw/zinc/40/64/27/509406427.db2.gz VZRAMNYZDBFBTH-OAHLLOKOSA-N 0 0 354.332 2.926 10 0 FFAERN Cc1noc(C)c1CCNC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000182751041 509409198 /nfs/dbraw/zinc/40/91/98/509409198.db2.gz NHJAAWQJEWUWSM-MRXNPFEDSA-N 0 0 372.473 2.699 10 0 FFAERN CCCCN1CCOC[C@H]1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000248643938 509410151 /nfs/dbraw/zinc/41/01/51/509410151.db2.gz PRAHKUVSDIYXEU-HOTGVXAUSA-N 0 0 352.475 2.980 10 0 FFAERN COc1ccc(C)cc1NC(=O)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000189100263 509411908 /nfs/dbraw/zinc/41/19/08/509411908.db2.gz HDFOQJSAZVCWOT-MRXNPFEDSA-N 0 0 370.453 2.656 10 0 FFAERN COc1ccc([C@H](CCO)NC(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000179385932 509413456 /nfs/dbraw/zinc/41/34/56/509413456.db2.gz KHEMMXWUSHVBIM-ROUUACIJSA-N 0 0 356.422 2.942 10 0 FFAERN CC(C)OCCCCNC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000182760673 509414146 /nfs/dbraw/zinc/41/41/46/509414146.db2.gz LXFVCPMTGMILDZ-MRXNPFEDSA-N 0 0 359.474 2.824 10 0 FFAERN C[C@H](C(=O)N1CCCN(Cc2cnn(C)c2)CC1)c1ccc(Cl)s1 ZINC000176273003 509415273 /nfs/dbraw/zinc/41/52/73/509415273.db2.gz BULNEHGOTUQAFI-ZDUSSCGKSA-N 0 0 366.918 2.973 10 0 FFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000189111763 509417088 /nfs/dbraw/zinc/41/70/88/509417088.db2.gz YWWFONNLOUQOSE-QWHCGFSZSA-N 0 0 371.315 2.879 10 0 FFAERN CCO[C@@H]1C[C@@H](NC(=O)c2ccnc(O[C@H](C)CC)c2)C12CCOCC2 ZINC000248650064 509418399 /nfs/dbraw/zinc/41/83/99/509418399.db2.gz WITMCYHGVKRPFI-DJIMGWMZSA-N 0 0 362.470 2.963 10 0 FFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1NCc1cccnc1 ZINC000176287263 509423251 /nfs/dbraw/zinc/42/32/51/509423251.db2.gz ICFBROSFXIXIRP-GOSISDBHSA-N 0 0 362.437 2.859 10 0 FFAERN COc1ccc(/C=C(\C)C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1F ZINC000182783878 509424768 /nfs/dbraw/zinc/42/47/68/509424768.db2.gz OGIHYNIEPMYWHI-FCONWMNKSA-N 0 0 358.417 2.768 10 0 FFAERN CCCc1csc(NC(=O)C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)n1 ZINC000248669418 509428143 /nfs/dbraw/zinc/42/81/43/509428143.db2.gz CHQVAKVUSAQGNS-BZUAXINKSA-N 0 0 355.463 2.736 10 0 FFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(F)c(SC)c2)C1 ZINC000189132270 509428212 /nfs/dbraw/zinc/42/82/12/509428212.db2.gz KWDCIQCSHUYQJD-WCQYABFASA-N 0 0 351.403 2.841 10 0 FFAERN CC(C)(C)OC(=O)NCCCCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182796072 509429274 /nfs/dbraw/zinc/42/92/74/509429274.db2.gz XTGZCNLJZNKXPA-OAHLLOKOSA-N 0 0 365.478 2.951 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1c(F)cc(Cl)cc1F)CC2 ZINC000182801943 509432814 /nfs/dbraw/zinc/43/28/14/509432814.db2.gz VHBBWUIWGGIFIJ-SECBINFHSA-N 0 0 355.776 2.909 10 0 FFAERN O=C(NCc1ccccc1-n1ccnc1)NCC1CCC2(CC1)OCCO2 ZINC000192271296 509435954 /nfs/dbraw/zinc/43/59/54/509435954.db2.gz YDAVEGXRQYMCOK-UHFFFAOYSA-N 0 0 370.453 2.605 10 0 FFAERN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(c2noc(C(C)(C)C)n2)CC1 ZINC000192269352 509436328 /nfs/dbraw/zinc/43/63/28/509436328.db2.gz GAUNWSNITAIHLO-AWEZNQCLSA-N 0 0 366.506 3.000 10 0 FFAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2ccccc2-c2nncn2C(C)C)C1 ZINC000176309503 509436588 /nfs/dbraw/zinc/43/65/88/509436588.db2.gz JXGKGSCZWYLRJO-HNNXBMFYSA-N 0 0 370.457 2.658 10 0 FFAERN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc2c(c1)NC(=O)C2 ZINC000189152647 509437633 /nfs/dbraw/zinc/43/76/33/509437633.db2.gz PFDFOLIPFYFMSK-HNNXBMFYSA-N 0 0 355.825 2.843 10 0 FFAERN CCn1cc([C@@H]2CN([C@H](C)C(=O)Nc3cc(F)ccc3C)CCO2)cn1 ZINC000248694225 509437923 /nfs/dbraw/zinc/43/79/23/509437923.db2.gz BMOSHYIKUVMONM-KDOFPFPSSA-N 0 0 360.433 2.751 10 0 FFAERN CCc1noc(C)c1NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179430407 509439714 /nfs/dbraw/zinc/43/97/14/509439714.db2.gz RKNGGTANYFOYLD-CYBMUJFWSA-N 0 0 354.414 3.000 10 0 FFAERN O=C(Nc1c(F)cc(Cl)cc1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000182822414 509442646 /nfs/dbraw/zinc/44/26/46/509442646.db2.gz JUAMMYBJWJGOAM-NSHDSACASA-N 0 0 356.760 2.748 10 0 FFAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)C/C=C/c2ccc(F)cc2)CC1 ZINC000176319946 509443173 /nfs/dbraw/zinc/44/31/73/509443173.db2.gz OMYMZTWBVMKHHO-SNAWJCMRSA-N 0 0 370.472 2.924 10 0 FFAERN CCCCOc1cc(OC)ccc1C(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000185950840 509444518 /nfs/dbraw/zinc/44/45/18/509444518.db2.gz BMRMRBNNUDQKAS-AWEZNQCLSA-N 0 0 372.469 2.773 10 0 FFAERN Cn1ncc2c1ncc(C(=O)N1CCC[C@@H]1CCc1ccccc1)c2O ZINC000179442463 509445336 /nfs/dbraw/zinc/44/53/36/509445336.db2.gz 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ZINC000117600304 250353424 /nfs/dbraw/zinc/35/34/24/250353424.db2.gz QKZGMBUZWFKQKM-BFUOFWGJSA-N 0 0 354.406 2.705 10 0 FFAERN Cc1ccc(N2CCCN(C(=O)C[C@@H]3CCOc4ccccc43)CC2)nn1 ZINC000117792660 250362294 /nfs/dbraw/zinc/36/22/94/250362294.db2.gz DNCAEYNSMRKIMB-KRWDZBQOSA-N 0 0 366.465 2.780 10 0 FFAERN Cc1ncc(CN2CCN(C(=O)[C@H]3Oc4ccccc4[C@H]3C)CC2)s1 ZINC000117799114 250362375 /nfs/dbraw/zinc/36/23/75/250362375.db2.gz PIBKDDUKOQRPIG-ACJLOTCBSA-N 0 0 357.479 2.660 10 0 FFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C[C@@H]3CCOc4ccccc43)CCO2)n1 ZINC000117798856 250362442 /nfs/dbraw/zinc/36/24/42/250362442.db2.gz SJDCBUZFTATXOC-ZWKOTPCHSA-N 0 0 369.465 2.684 10 0 FFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000117823776 250364271 /nfs/dbraw/zinc/36/42/71/250364271.db2.gz NTVWLERFOQRPPH-RHSMWYFYSA-N 0 0 355.438 2.828 10 0 FFAERN COCCN(Cc1ccco1)C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000117057852 250334022 /nfs/dbraw/zinc/33/40/22/250334022.db2.gz QKUDVKSMVMLAAI-UHFFFAOYSA-N 0 0 372.469 2.810 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Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000128738932 250776828 /nfs/dbraw/zinc/77/68/28/250776828.db2.gz YKYLOLUGUKSUQG-MRXNPFEDSA-N 0 0 360.483 2.839 10 0 FFAERN CCCc1cc(N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)n2ncnc2n1 ZINC000129334597 250825495 /nfs/dbraw/zinc/82/54/95/250825495.db2.gz ASOIBEDHRRBAKB-CZUORRHYSA-N 0 0 359.380 2.667 10 0 FFAERN CC(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000009845276 210855614 /nfs/dbraw/zinc/85/56/14/210855614.db2.gz SGQHYKVPNQIIKR-UHFFFAOYSA-N 0 0 367.800 2.921 10 0 FFAERN Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(C)o2)n(Cc2ccccc2)n1 ZINC000130531166 250913330 /nfs/dbraw/zinc/91/33/30/250913330.db2.gz AFKYYQNRMZPULR-OAHLLOKOSA-N 0 0 366.421 2.957 10 0 FFAERN COc1ccc(C[C@H](C)C(=O)N2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000130666402 250925326 /nfs/dbraw/zinc/92/53/26/250925326.db2.gz DYOCYZQQMVACIV-INIZCTEOSA-N 0 0 368.481 2.791 10 0 FFAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000131441038 250986845 /nfs/dbraw/zinc/98/68/45/250986845.db2.gz 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/nfs/dbraw/zinc/10/95/90/251109590.db2.gz VQQAYTSUJMBLTR-CJNGLKHVSA-N 0 0 373.457 2.671 10 0 FFAERN C[C@@H](NC(=O)N(C)Cc1nc2c(s1)CCCC2)c1nnc2n1CCCC2 ZINC000153421009 251136012 /nfs/dbraw/zinc/13/60/12/251136012.db2.gz OGRCSQWJEOPMSO-GFCCVEGCSA-N 0 0 374.514 2.852 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(F)c2)C1 ZINC000153455062 251139170 /nfs/dbraw/zinc/13/91/70/251139170.db2.gz NRSJZRFTJDZYKT-MRXNPFEDSA-N 0 0 358.417 2.695 10 0 FFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000155374874 251154213 /nfs/dbraw/zinc/15/42/13/251154213.db2.gz HRZLYIFXTVMGAS-AWEZNQCLSA-N 0 0 360.845 2.761 10 0 FFAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc3ccc(F)cc3nc2C)n1 ZINC000155370182 251154549 /nfs/dbraw/zinc/15/45/49/251154549.db2.gz DMFBQUFHJDUXQE-INIZCTEOSA-N 0 0 356.357 2.587 10 0 FFAERN Cc1ccc([C@@H]2CN(C(=O)C(=O)Nc3cc(F)cc(Cl)c3)CCO2)o1 ZINC000162906942 251160352 /nfs/dbraw/zinc/16/03/52/251160352.db2.gz TZUBZCXKSXBBOV-HNNXBMFYSA-N 0 0 366.776 2.919 10 0 FFAERN Cc1ccc([C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(F)c3F)CCO2)o1 ZINC000162912339 251160378 /nfs/dbraw/zinc/16/03/78/251160378.db2.gz YVQRMLFSUDLSDM-ZDUSSCGKSA-N 0 0 368.311 2.544 10 0 FFAERN COC[C@@H](C)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000163256110 251181780 /nfs/dbraw/zinc/18/17/80/251181780.db2.gz OXTSTPIQHHUYFU-ZCFIWIBFSA-N 0 0 352.026 2.828 10 0 FFAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2cc(C(C)=O)c[nH]2)C1 ZINC000163293764 251183017 /nfs/dbraw/zinc/18/30/17/251183017.db2.gz KJMZHZDUAYDPTQ-IAGOWNOFSA-N 0 0 354.406 2.636 10 0 FFAERN O=C(c1cc(F)cc2cccnc21)N1CCC(Nc2cccnn2)CC1 ZINC000163329970 251184538 /nfs/dbraw/zinc/18/45/38/251184538.db2.gz OTKSWIPAYBWDIC-UHFFFAOYSA-N 0 0 351.385 2.881 10 0 FFAERN COc1ccc(CCNC(=O)Cn2cc3c(n2)CCCCC3)cc1OC ZINC000005148669 210603357 /nfs/dbraw/zinc/60/33/57/210603357.db2.gz TYLKWNGFDIGGBA-UHFFFAOYSA-N 0 0 357.454 2.528 10 0 FFAERN Cc1cccc2c(CCNC(=O)N3CC[C@H](c4cnn(C)c4)C3)c[nH]c21 ZINC000173500672 251195460 /nfs/dbraw/zinc/19/54/60/251195460.db2.gz QBDRWHREEDTLLF-INIZCTEOSA-N 0 0 351.454 2.951 10 0 FFAERN CCOCc1cccc(NC(=O)C(=O)N[C@H](C)COCc2ccccc2)c1 ZINC000173533098 251200316 /nfs/dbraw/zinc/20/03/16/251200316.db2.gz IONPKOAMDORGEP-MRXNPFEDSA-N 0 0 370.449 2.883 10 0 FFAERN CCN(CCCNC(=O)N1CCC[C@H](n2cncn2)C1)c1ccccc1 ZINC000173536398 251200405 /nfs/dbraw/zinc/20/04/05/251200405.db2.gz DBEPLUOCENLFQM-SFHVURJKSA-N 0 0 356.474 2.541 10 0 FFAERN Cc1nnc([C@@H]2CN(C(=O)c3csc(-c4ccsc4)n3)CCO2)[nH]1 ZINC000173548265 251203624 /nfs/dbraw/zinc/20/36/24/251203624.db2.gz JVCVESJPBDOAPE-LBPRGKRZSA-N 0 0 361.452 2.512 10 0 FFAERN CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1cccnc1-n1cncn1 ZINC000175458807 251211140 /nfs/dbraw/zinc/21/11/40/251211140.db2.gz FUZPYNKYXLJSRJ-GOSISDBHSA-N 0 0 364.453 2.825 10 0 FFAERN CCc1nnc([C@H]2CN(C(=O)COc3ccccc3[C@@H](C)CC)CCO2)[nH]1 ZINC000173577037 251209484 /nfs/dbraw/zinc/20/94/84/251209484.db2.gz FTWOUFLFCZZTSV-WMLDXEAASA-N 0 0 372.469 2.860 10 0 FFAERN Cc1ccc(N2CCC(NC(=O)NCCSC(F)(F)F)CC2)nc1 ZINC000175580294 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O=C(Nc1ccnc(Cl)c1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000181864482 510631139 /nfs/dbraw/zinc/63/11/39/510631139.db2.gz VETFNJMVEUMGCJ-MRXNPFEDSA-N 0 0 360.845 2.618 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(C)nc3onc(C(C)C)c31)CC2 ZINC000172257939 510632456 /nfs/dbraw/zinc/63/24/56/510632456.db2.gz JWRNDUPOCNRPKK-GFCCVEGCSA-N 0 0 368.441 2.553 10 0 FFAERN O=C(N[C@H]1COc2ccccc21)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000195018319 510633657 /nfs/dbraw/zinc/63/36/57/510633657.db2.gz BQUQEFLCBYRUBP-CVEARBPZSA-N 0 0 356.809 2.943 10 0 FFAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(N(C)C)nc3)C2)c1 ZINC000175408488 510633897 /nfs/dbraw/zinc/63/38/97/510633897.db2.gz PVNLHPHBLAVNTP-HNNXBMFYSA-N 0 0 355.438 2.795 10 0 FFAERN Cc1cccc(C(=O)N[C@H](C(=O)N2CC[C@H]3OCCC[C@H]3C2)C(C)C)c1 ZINC000246729194 510639336 /nfs/dbraw/zinc/63/93/36/510639336.db2.gz OOJGRDUXBQXGNV-OTWHNJEPSA-N 0 0 358.482 2.777 10 0 FFAERN CCN(CC)C(=O)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000195038477 510640979 /nfs/dbraw/zinc/64/09/79/510640979.db2.gz ZTWZOBGLIZOSGK-UHFFFAOYSA-N 0 0 365.433 2.696 10 0 FFAERN CC1(C)CC[C@@H](CNC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)O1 ZINC000188194904 510642139 /nfs/dbraw/zinc/64/21/39/510642139.db2.gz HDVPFCDFJQTKPN-GJZGRUSLSA-N 0 0 361.490 2.809 10 0 FFAERN Cc1ccccc1C[C@H](CO)NC(=O)N[C@H](C)COCc1ccccc1 ZINC000188204850 510647890 /nfs/dbraw/zinc/64/78/90/510647890.db2.gz PWXAPQUJIZEQBQ-YLJYHZDGSA-N 0 0 356.466 2.803 10 0 FFAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)c2c(F)cccc2Cl)CC1 ZINC000181901857 510649233 /nfs/dbraw/zinc/64/92/33/510649233.db2.gz FLVDMGRLFOTHRR-OLZOCXBDSA-N 0 0 357.857 2.638 10 0 FFAERN C[C@@H]1CN([C@@H](CNC(=O)CC[C@H]2CCCCO2)c2cccs2)CCO1 ZINC000246747352 510651979 /nfs/dbraw/zinc/65/19/79/510651979.db2.gz HNFYPSFZCFOAND-ZACQAIPSSA-N 0 0 366.527 2.975 10 0 FFAERN O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCN2CCCC[C@@H]2C1 ZINC000195058890 510653262 /nfs/dbraw/zinc/65/32/62/510653262.db2.gz SCWJVJMXQXMBJY-OAHLLOKOSA-N 0 0 368.456 2.810 10 0 FFAERN CCOCCN1CCN(C(=O)c2ccc(C(F)(F)F)nc2C)C[C@H]1CC ZINC000172299742 510653501 /nfs/dbraw/zinc/65/35/01/510653501.db2.gz IGDHONVCAYAXTH-CQSZACIVSA-N 0 0 373.419 2.982 10 0 FFAERN COc1ccc(CCC(=O)N2CCCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000246755546 510655493 /nfs/dbraw/zinc/65/54/93/510655493.db2.gz HYJJACGGAOPCFT-KXTWHKPSSA-N 0 0 370.493 2.735 10 0 FFAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000181913859 510655964 /nfs/dbraw/zinc/65/59/64/510655964.db2.gz WBSZWHNABAQFSC-CVEARBPZSA-N 0 0 359.495 2.755 10 0 FFAERN CCOc1ccccc1CCC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000181916075 510657751 /nfs/dbraw/zinc/65/77/51/510657751.db2.gz REVYIHVXAAGERG-UHFFFAOYSA-N 0 0 371.481 2.613 10 0 FFAERN CCc1cc(=O)[nH]c(SCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)n1 ZINC000195074711 510660475 /nfs/dbraw/zinc/66/04/75/510660475.db2.gz UBUARSILJCUEBB-MRXNPFEDSA-N 0 0 373.478 2.797 10 0 FFAERN O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCN2CCCC[C@@H]2C1 ZINC000195077437 510661250 /nfs/dbraw/zinc/66/12/50/510661250.db2.gz QTBFEAFDROTTOY-QGZVFWFLSA-N 0 0 358.873 2.895 10 0 FFAERN COCCN1CCN(C(=O)Nc2ccc(OC3CCCC3)nc2)C[C@@H]1C ZINC000172315546 510664926 /nfs/dbraw/zinc/66/49/26/510664926.db2.gz JEJAPYIJKRTSIJ-HNNXBMFYSA-N 0 0 362.474 2.587 10 0 FFAERN COc1ccccc1S(=O)(=O)CCCn1c2ccccc2nc1[C@@H](C)O ZINC000185068622 510667421 /nfs/dbraw/zinc/66/74/21/510667421.db2.gz HXGCHVOVIIOLQW-CQSZACIVSA-N 0 0 374.462 2.962 10 0 FFAERN Cc1cc(C)n(-c2ccc(CN3CCOC[C@@H]3c3nc(C)no3)cc2)n1 ZINC000185075660 510670236 /nfs/dbraw/zinc/67/02/36/510670236.db2.gz DJGDVYJNECXTJA-GOSISDBHSA-N 0 0 353.426 2.754 10 0 FFAERN CCOCCCCNC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000178575364 510670916 /nfs/dbraw/zinc/67/09/16/510670916.db2.gz WCDJJJGPYVUXLT-MRXNPFEDSA-N 0 0 369.531 2.546 10 0 FFAERN Cc1sc2[nH]c(CCC(=O)N[C@@H]3COc4ccccc43)nc(=O)c2c1C ZINC000195107554 510671915 /nfs/dbraw/zinc/67/19/15/510671915.db2.gz ITWIBZRVVTZVEX-CYBMUJFWSA-N 0 0 369.446 2.784 10 0 FFAERN COCCN1CCN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)C[C@H]1C ZINC000172330477 510673761 /nfs/dbraw/zinc/67/37/61/510673761.db2.gz NGCOCJUEVWLSAK-CXAGYDPISA-N 0 0 351.878 2.689 10 0 FFAERN CCCCCOc1cc(C)ccc1CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191467981 510673832 /nfs/dbraw/zinc/67/38/32/510673832.db2.gz XFSXNADAUBVXGS-INIZCTEOSA-N 0 0 361.486 2.984 10 0 FFAERN O=C(c1ccc2[nH]ccc2c1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000172330455 510673835 /nfs/dbraw/zinc/67/38/35/510673835.db2.gz XNZFHYFQTCZWND-UHFFFAOYSA-N 0 0 365.437 2.776 10 0 FFAERN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1)CS2 ZINC000246798823 510680861 /nfs/dbraw/zinc/68/08/61/510680861.db2.gz AIWJKTHLFUIOAM-LJCCNALRSA-N 0 0 374.506 2.555 10 0 FFAERN COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](CCO)c2ccco2)cc1 ZINC000185098365 510683997 /nfs/dbraw/zinc/68/39/97/510683997.db2.gz MMEZEXJXYOFGHO-ROUUACIJSA-N 0 0 358.438 2.665 10 0 FFAERN COC[C@@H](C)n1c(C)cc(C(=O)CN2CC[C@@H](c3cnn(C)c3)C2)c1C ZINC000246815320 510691332 /nfs/dbraw/zinc/69/13/32/510691332.db2.gz BSOJSIWYUZMOPL-NVXWUHKLSA-N 0 0 358.486 2.718 10 0 FFAERN COC(=O)C[C@H](C)C(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246825554 510694133 /nfs/dbraw/zinc/69/41/33/510694133.db2.gz RLLWZHNTQHXUQB-GDLCADMTSA-N 0 0 359.344 2.539 10 0 FFAERN Cc1nnsc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000191507322 510694383 /nfs/dbraw/zinc/69/43/83/510694383.db2.gz ICABPJPXECYZMF-NEPJUHHUSA-N 0 0 357.357 2.813 10 0 FFAERN CCCCN1CCOC[C@H]1C(=O)Nc1cc(-c2cccc(OC)c2)nn1C ZINC000191511356 510695873 /nfs/dbraw/zinc/69/58/73/510695873.db2.gz JEZZQCMIHNABHH-SFHVURJKSA-N 0 0 372.469 2.535 10 0 FFAERN C[C@H]1CN(c2ccc(NC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2)CCO1 ZINC000246829295 510697037 /nfs/dbraw/zinc/69/70/37/510697037.db2.gz CSDMPSNFBDSJEY-LPHOPBHVSA-N 0 0 358.486 2.614 10 0 FFAERN CCN(C)C(=O)c1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000246832307 510699203 /nfs/dbraw/zinc/69/92/03/510699203.db2.gz QFWDDMXQRZTPIG-RCCFBDPRSA-N 0 0 356.466 2.856 10 0 FFAERN CCn1cnnc1C1CCN([C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000178642423 510700815 /nfs/dbraw/zinc/70/08/15/510700815.db2.gz HUBSPWOAMDKIHE-LBPRGKRZSA-N 0 0 363.412 2.783 10 0 FFAERN CN(C(=O)N[C@H]1CCc2cc(F)ccc21)[C@H]1CCCN(c2cccnn2)C1 ZINC000246838196 510700877 /nfs/dbraw/zinc/70/08/77/510700877.db2.gz UPWUEKVCXOBHMR-WMZOPIPTSA-N 0 0 369.444 2.913 10 0 FFAERN COc1ccccc1NCC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172387955 510703096 /nfs/dbraw/zinc/70/30/96/510703096.db2.gz COMUKUSKFOAWJI-UHFFFAOYSA-N 0 0 366.421 2.597 10 0 FFAERN CC(C)NS(=O)(=O)CCNC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000195182818 510703599 /nfs/dbraw/zinc/70/35/99/510703599.db2.gz CWZXPNKWBPCIMU-CQSZACIVSA-N 0 0 363.483 2.528 10 0 FFAERN CCCCOC[C@@H](O)CN1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000195192316 510708964 /nfs/dbraw/zinc/70/89/64/510708964.db2.gz SDCFINXDNDCAJB-ROUUACIJSA-N 0 0 360.498 2.780 10 0 FFAERN C[C@H]1CN(C(=O)NCc2ccc(C(F)(F)F)cc2)C[C@H]1N1CCOCC1 ZINC000175643155 510709316 /nfs/dbraw/zinc/70/93/16/510709316.db2.gz QWNIBCWOILCXEV-XJKSGUPXSA-N 0 0 371.403 2.568 10 0 FFAERN Cn1ncc2c1ncc(C(=O)N1CCC[C@H](c3cc(F)ccc3F)C1)c2O ZINC000191536569 510711138 /nfs/dbraw/zinc/71/11/38/510711138.db2.gz DXSKWZJIXKYSAS-NSHDSACASA-N 0 0 372.375 2.972 10 0 FFAERN C[C@@H](NC(=O)N1CCCN(C)C(=O)C1)c1ccc(OCC2CC2)c(F)c1 ZINC000188328951 510712883 /nfs/dbraw/zinc/71/28/83/510712883.db2.gz CFPHRBJXMDEPFK-CYBMUJFWSA-N 0 0 363.433 2.549 10 0 FFAERN Cc1c(Cl)cccc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000195206952 510717284 /nfs/dbraw/zinc/71/72/84/510717284.db2.gz KVYCXXRYTVDXCJ-LLVKDONJSA-N 0 0 352.843 2.787 10 0 FFAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(C)c(F)c2)C12CCOCC2 ZINC000185157771 510718857 /nfs/dbraw/zinc/71/88/57/510718857.db2.gz WTKPQPDDGRXMLO-IAGOWNOFSA-N 0 0 371.474 2.528 10 0 FFAERN CC[C@H](CSc1ccccc1)NC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000182041079 510725565 /nfs/dbraw/zinc/72/55/65/510725565.db2.gz OLIJHWJDDGXNGZ-SJORKVTESA-N 0 0 365.543 2.655 10 0 FFAERN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000246885629 510725959 /nfs/dbraw/zinc/72/59/59/510725959.db2.gz BWXUDBCWICJDGX-APHBMKBZSA-N 0 0 369.458 2.551 10 0 FFAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000175673285 510726556 /nfs/dbraw/zinc/72/65/56/510726556.db2.gz HBMBTOXTZHGCFK-LJQANCHMSA-N 0 0 364.453 2.751 10 0 FFAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCOc2ccc(OC)cc2)C1 ZINC000172439165 510727947 /nfs/dbraw/zinc/72/79/47/510727947.db2.gz XPRHDNJXAZZQFN-INIZCTEOSA-N 0 0 372.469 2.880 10 0 FFAERN C[C@@H](NC(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1)c1ccc(F)c(F)c1 ZINC000188362634 510730355 /nfs/dbraw/zinc/73/03/55/510730355.db2.gz GBUPLKJEKGLKAR-GHMZBOCLSA-N 0 0 362.380 2.948 10 0 FFAERN Cc1cccc(N2CCC(NC(=O)NC[C@]3(C)CCCC[C@@H]3O)CC2)n1 ZINC000178703796 510730569 /nfs/dbraw/zinc/73/05/69/510730569.db2.gz NTQJPPMRGGTFTC-PXNSSMCTSA-N 0 0 360.502 2.599 10 0 FFAERN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000191581256 510734728 /nfs/dbraw/zinc/73/47/28/510734728.db2.gz GMPIMWYRGQYMLG-IRXDYDNUSA-N 0 0 350.503 2.997 10 0 FFAERN CCCC[C@H](COC)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172457917 510736146 /nfs/dbraw/zinc/73/61/46/510736146.db2.gz WXCFCQVRUMBMMW-GOSISDBHSA-N 0 0 364.461 2.999 10 0 FFAERN Cc1ncccc1C(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191583922 510736431 /nfs/dbraw/zinc/73/64/31/510736431.db2.gz JXYQTCJVMITEGL-MRXNPFEDSA-N 0 0 361.486 2.658 10 0 FFAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000246904869 510736746 /nfs/dbraw/zinc/73/67/46/510736746.db2.gz HHYBJMCKYNLEKY-XEZPLFJOSA-N 0 0 354.878 2.618 10 0 FFAERN CNC(=O)[C@H](NC(=O)[C@H](C)Sc1ccc(Br)cc1)C(C)C ZINC000178719790 510736980 /nfs/dbraw/zinc/73/69/80/510736980.db2.gz LOUJUZQNVGBSDR-GXFFZTMASA-N 0 0 373.316 2.817 10 0 FFAERN COCCN1CCN(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1C ZINC000246906694 510739400 /nfs/dbraw/zinc/73/94/00/510739400.db2.gz LVEBIMQFZJMHDG-JKSUJKDBSA-N 0 0 372.469 2.765 10 0 FFAERN CCc1nccn1[C@H]1CCCN([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000246911774 510741923 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CC[C@@H](C)c1ccc(NC(=O)CN2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000246922237 510748467 /nfs/dbraw/zinc/74/84/67/510748467.db2.gz JBYAVFIWBMUUNL-CXAGYDPISA-N 0 0 357.458 2.639 10 0 FFAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cnc(Cl)c(Cl)c1)CC2 ZINC000195271785 510749816 /nfs/dbraw/zinc/74/98/16/510749816.db2.gz PAUKYICEPMKZCZ-SNVBAGLBSA-N 0 0 354.241 2.848 10 0 FFAERN Cc1nn(C)c(C)c1CNC(=O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000182087863 510749730 /nfs/dbraw/zinc/74/97/30/510749730.db2.gz CQXHCVZYPVEIMI-LJQANCHMSA-N 0 0 364.490 2.833 10 0 FFAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000246930917 510751795 /nfs/dbraw/zinc/75/17/95/510751795.db2.gz MOIFBOQEAUMMJF-IPMKNSEASA-N 0 0 358.482 2.892 10 0 FFAERN CC[C@@H]1CN(C(=O)[C@H](C)CCc2ccccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000246930891 510752528 /nfs/dbraw/zinc/75/25/28/510752528.db2.gz RHXVULROSDFKAF-JFIYKMOQSA-N 0 0 350.478 2.698 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cc(C3CC3)n(C(C)(C)C)n1)CC2 ZINC000195280306 510758642 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/nfs/dbraw/zinc/25/83/29/510258329.db2.gz QQJKEQNSMMULGB-ILXRZTDVSA-N 0 0 350.409 2.976 10 0 FFAERN Clc1cccc(-c2noc(N3CCCN(c4cccnn4)CC3)n2)c1 ZINC000265847086 510260335 /nfs/dbraw/zinc/26/03/35/510260335.db2.gz UKLFGWSINPNALU-UHFFFAOYSA-N 0 0 356.817 2.897 10 0 FFAERN CS(=O)(=O)c1ccccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246042951 510261419 /nfs/dbraw/zinc/26/14/19/510261419.db2.gz ANMYQKPUIZFQMN-DAXOMENPSA-N 0 0 364.467 2.559 10 0 FFAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)o1 ZINC000246050601 510264511 /nfs/dbraw/zinc/26/45/11/510264511.db2.gz QAICCNREXHMCQZ-HBYQBFOVSA-N 0 0 365.433 2.842 10 0 FFAERN CC(C)Oc1ccc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(F)c1 ZINC000177813176 510266722 /nfs/dbraw/zinc/26/67/22/510266722.db2.gz JBHWXLFBDPCLKV-KSSFIOAISA-N 0 0 365.449 2.797 10 0 FFAERN Cc1cc(N2CCN(C(=O)Nc3ccc(OC(F)F)cc3)CC2)n[nH]1 ZINC000187442810 510266964 /nfs/dbraw/zinc/26/69/64/510266964.db2.gz QWBMMFWFFAMFLW-UHFFFAOYSA-N 0 0 351.357 2.674 10 0 FFAERN CCn1cc(C2CCN(CC(=O)c3[nH]c(C)c(C(=O)OC)c3C)CC2)cn1 ZINC000171639467 510267837 /nfs/dbraw/zinc/26/78/37/510267837.db2.gz LHPUJJHALFZPHY-UHFFFAOYSA-N 0 0 372.469 2.697 10 0 FFAERN C[C@H](NC(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000246061743 510270457 /nfs/dbraw/zinc/27/04/57/510270457.db2.gz BEUBNTQPWTYLME-MPGHIAIKSA-N 0 0 370.449 2.810 10 0 FFAERN NC(=O)CSc1ccccc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171644078 510272502 /nfs/dbraw/zinc/27/25/02/510272502.db2.gz XLTSFXDUEHCESI-GFCCVEGCSA-N 0 0 361.492 2.740 10 0 FFAERN C/C(=C\C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1)c1ccc(F)cc1 ZINC000177826231 510273841 /nfs/dbraw/zinc/27/38/41/510273841.db2.gz ZZDLUENKXJBOCW-VSOYFRJCSA-N 0 0 353.397 2.655 10 0 FFAERN CC(=O)c1c(C)[nH]c(C(=O)CN2CC[C@@H](CNc3ccccn3)C2)c1C ZINC000171647125 510276145 /nfs/dbraw/zinc/27/61/45/510276145.db2.gz MUGRMQXESZEPTA-INIZCTEOSA-N 0 0 354.454 2.846 10 0 FFAERN CN(CCCNc1cc(N2CCC[C@H]2CO)ncn1)c1ccccc1F ZINC000246071977 510276998 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Cc1cc(Br)ccc1CC(=O)N1CCC(n2cncn2)CC1 ZINC000181201043 510299266 /nfs/dbraw/zinc/29/92/66/510299266.db2.gz XPUIJCMFGQDMLT-UHFFFAOYSA-N 0 0 363.259 2.755 10 0 FFAERN Cc1ccc(OC2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)nc1 ZINC000181203795 510299818 /nfs/dbraw/zinc/29/98/18/510299818.db2.gz NGLOHDKXWNJVSG-UHFFFAOYSA-N 0 0 365.433 2.958 10 0 FFAERN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCO[C@@H](c3nccs3)C2)cc1 ZINC000246113471 510300448 /nfs/dbraw/zinc/30/04/48/510300448.db2.gz JZZKCBRDQGTCSQ-MLGOLLRUSA-N 0 0 359.451 2.746 10 0 FFAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H]3CCSc4ccccc43)CCO2)[nH]1 ZINC000177869382 510300600 /nfs/dbraw/zinc/30/06/00/510300600.db2.gz FTTNFYOOPYXHKL-KGLIPLIRSA-N 0 0 373.482 2.687 10 0 FFAERN CCc1nnc([C@H]2CN(C(=O)N[C@@H]3CCSc4ccccc43)CCO2)[nH]1 ZINC000177869394 510300721 /nfs/dbraw/zinc/30/07/21/510300721.db2.gz FTTNFYOOPYXHKL-ZIAGYGMSSA-N 0 0 373.482 2.687 10 0 FFAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cccc(Oc3ccncc3)c2)CC1 ZINC000181208741 510302615 /nfs/dbraw/zinc/30/26/15/510302615.db2.gz 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IUZWRWGZKFPOKM-HZPDHXFCSA-N 0 0 371.485 2.791 10 0 FFAERN CN1CCO[C@@H](CN[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000246467438 510504659 /nfs/dbraw/zinc/50/46/59/510504659.db2.gz GMVVRLHUHYBJEI-RBUKOAKNSA-N 0 0 364.449 2.746 10 0 FFAERN C[C@@H]1CN(CCN(C)C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000194748716 510508818 /nfs/dbraw/zinc/50/88/18/510508818.db2.gz ZWUOBVPFSGJOLM-XRGAULLZSA-N 0 0 352.425 2.636 10 0 FFAERN Cc1nc2cc(NC(=O)N[C@@H]3CCc4nnc(C(C)C)n4C3)ccc2o1 ZINC000181629516 510509882 /nfs/dbraw/zinc/50/98/82/510509882.db2.gz FDKSPDKMXAXEIZ-CYBMUJFWSA-N 0 0 354.414 2.988 10 0 FFAERN O=C(N[C@@H](CCO)c1ccco1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000187940444 510511649 /nfs/dbraw/zinc/51/16/49/510511649.db2.gz UIPSZMDWQILWBB-KRWDZBQOSA-N 0 0 374.412 2.511 10 0 FFAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000172037255 510512906 /nfs/dbraw/zinc/51/29/06/510512906.db2.gz BUUHXHFGJOKUOH-CXAGYDPISA-N 0 0 356.447 2.597 10 0 FFAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Nc2nc(C3CC3)cs2)CC1 ZINC000172044157 510513923 /nfs/dbraw/zinc/51/39/23/510513923.db2.gz GTZQLEHEKOBPOO-UHFFFAOYSA-N 0 0 374.514 2.721 10 0 FFAERN CCOC(=O)[C@@H](NC(=O)CNC(=O)CCC(C)C)c1ccc(Cl)cc1 ZINC000194760964 510514333 /nfs/dbraw/zinc/51/43/33/510514333.db2.gz MJZTWQLIADAMSN-KRWDZBQOSA-N 0 0 368.861 2.613 10 0 FFAERN COC(=O)c1ccccc1NC(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246488695 510517475 /nfs/dbraw/zinc/51/74/75/510517475.db2.gz GZWYZVKPCJTXKU-RHSMWYFYSA-N 0 0 372.421 2.593 10 0 FFAERN Cc1ccc(-c2ncccc2NC(=O)C(=O)N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000187954607 510518866 /nfs/dbraw/zinc/51/88/66/510518866.db2.gz VXNKVMPFWUTZLG-VXGBXAGGSA-N 0 0 359.451 2.693 10 0 FFAERN CC(C)CCO[C@H]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)C1 ZINC000175183129 510520720 /nfs/dbraw/zinc/52/07/20/510520720.db2.gz HPPOSGVWMGEHIU-OALUTQOASA-N 0 0 373.497 2.740 10 0 FFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NC[C@H](C)Cn1ccnc1C ZINC000172073407 510529254 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O=C(NCCCOCCO)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000181684852 510539351 /nfs/dbraw/zinc/53/93/51/510539351.db2.gz MRUYCWORIZFQQT-HNNXBMFYSA-N 0 0 360.376 2.855 10 0 FFAERN CC(C)c1noc(-c2ccnc(N3CCC[C@H](Cn4cncn4)C3)c2)n1 ZINC000266369259 510543779 /nfs/dbraw/zinc/54/37/79/510543779.db2.gz LKUYLOSOBPISGB-AWEZNQCLSA-N 0 0 353.430 2.763 10 0 FFAERN NC(=O)COc1ccccc1C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191202030 510545832 /nfs/dbraw/zinc/54/58/32/510545832.db2.gz GVXRJJCQSCTFOP-ZDUSSCGKSA-N 0 0 374.387 2.849 10 0 FFAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000191200796 510545990 /nfs/dbraw/zinc/54/59/90/510545990.db2.gz YHPZHGYXZALHAQ-INIZCTEOSA-N 0 0 367.449 2.686 10 0 FFAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCNC(=O)c1ccccc1Cl ZINC000172107461 510546529 /nfs/dbraw/zinc/54/65/29/510546529.db2.gz JFDJYOMNVGDVLI-PXAZEXFGSA-N 0 0 358.825 2.751 10 0 FFAERN COc1ccc(C)cc1-n1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)n1 ZINC000178344522 510558069 /nfs/dbraw/zinc/55/80/69/510558069.db2.gz SZWBOMQICCAZRR-XLIONFOSSA-N 0 0 363.417 2.577 10 0 FFAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCc3ccc([C@H](C)O)cc3)C2)n1 ZINC000172130584 510558605 /nfs/dbraw/zinc/55/86/05/510558605.db2.gz DVZITVNZBPCDDE-KSSFIOAISA-N 0 0 371.485 2.570 10 0 FFAERN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H]2COc3ccccc32)cc1 ZINC000194863477 510562433 /nfs/dbraw/zinc/56/24/33/510562433.db2.gz XPIHKJDSWSGUGJ-DYVFJYSZSA-N 0 0 374.462 2.627 10 0 FFAERN Cc1ccc2c(c1)nc(CNC(=O)[C@H](C)NC(=O)Nc1ccccc1)n2C ZINC000184885465 510563257 /nfs/dbraw/zinc/56/32/57/510563257.db2.gz FLORJMMLTRZBDF-AWEZNQCLSA-N 0 0 365.437 2.708 10 0 FFAERN Cc1cccc(N2CCC(NC(=O)N3CCn4cccc4[C@H]3C)CC2)n1 ZINC000172141001 510563353 /nfs/dbraw/zinc/56/33/53/510563353.db2.gz HZYPGGIRQGYCDY-MRXNPFEDSA-N 0 0 353.470 2.947 10 0 FFAERN COc1ccc(Br)c(S(=O)(=O)N2CCS[C@@H](C)C2)c1 ZINC000175270782 510563518 /nfs/dbraw/zinc/56/35/18/510563518.db2.gz HXNXURYNNXSOAP-VIFPVBQESA-N 0 0 366.302 2.584 10 0 FFAERN COc1ccc([C@H](C)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)cc1OC 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2.594 10 0 FFAERN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)N[C@H]1CCOc2ccccc21 ZINC000178378698 510574326 /nfs/dbraw/zinc/57/43/26/510574326.db2.gz IVCWVQCRSAIUDW-HNNXBMFYSA-N 0 0 358.419 2.662 10 0 FFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000184905246 510574485 /nfs/dbraw/zinc/57/44/85/510574485.db2.gz ITCBZVSLIVVCAB-INIZCTEOSA-N 0 0 367.453 2.516 10 0 FFAERN O=S(=O)(c1cccc(Cl)c1Cl)N1CCS[C@H]2COCC[C@H]21 ZINC000246595654 510575068 /nfs/dbraw/zinc/57/50/68/510575068.db2.gz CWLLDUDLSSBYKA-MNOVXSKESA-N 0 0 368.307 2.888 10 0 FFAERN Cc1cccc(C)c1-n1nnnc1CN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000181756186 510576531 /nfs/dbraw/zinc/57/65/31/510576531.db2.gz ARZDWPOYWJKOLA-OAHLLOKOSA-N 0 0 365.437 2.901 10 0 FFAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000175304760 510578646 /nfs/dbraw/zinc/57/86/46/510578646.db2.gz PACANIRAJPZALJ-WMLDXEAASA-N 0 0 369.513 2.891 10 0 FFAERN Cc1c(Br)cccc1CC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000191270005 510578710 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C[C@H](CNc1ccccc1)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000089506165 507843680 /nfs/dbraw/zinc/84/36/80/507843680.db2.gz QLSDPEMZPJJLGE-LXGCGDOSSA-N 0 0 369.440 2.962 10 0 FFAERN Cc1cccc2[nH]cc(CC(=O)N3CCC(c4ccnn4CCO)CC3)c21 ZINC000089542958 507845981 /nfs/dbraw/zinc/84/59/81/507845981.db2.gz VOJCEPSMDXXNPJ-UHFFFAOYSA-N 0 0 366.465 2.614 10 0 FFAERN CCn1cnnc1C1CCN(C(=O)Cc2sc(=S)[nH]c2C)CC1 ZINC000107352370 507846141 /nfs/dbraw/zinc/84/61/41/507846141.db2.gz TVGLAZBLARNTRJ-UHFFFAOYSA-N 0 0 351.501 2.674 10 0 FFAERN C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000089543782 507846259 /nfs/dbraw/zinc/84/62/59/507846259.db2.gz PMKDLDMDBGEMKN-INIZCTEOSA-N 0 0 373.472 2.989 10 0 FFAERN CC[C@@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)C1=O ZINC000078267053 507852649 /nfs/dbraw/zinc/85/26/49/507852649.db2.gz UVGCVAPRULUASQ-ZUOKHONESA-N 0 0 359.470 2.882 10 0 FFAERN CCc1nc(CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cs1 ZINC000107704336 507864115 /nfs/dbraw/zinc/86/41/15/507864115.db2.gz PRCFMIUREUMGHP-UHFFFAOYSA-N 0 0 374.871 2.609 10 0 FFAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@@H](C)c1cccnc1 ZINC000078361652 507865255 /nfs/dbraw/zinc/86/52/55/507865255.db2.gz KFOLMQFFPCMTHL-YVEFUNNKSA-N 0 0 361.392 2.992 10 0 FFAERN C[C@@H]1CN(C2=NS(=O)(=O)c3ccccc32)C[C@@H](c2ccc(F)cc2)O1 ZINC000078369352 507865649 /nfs/dbraw/zinc/86/56/49/507865649.db2.gz CYRCCYOEANOGGE-WBMJQRKESA-N 0 0 360.410 2.737 10 0 FFAERN O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N[C@@H]1CCCC[C@@H]1O ZINC000107820153 507868483 /nfs/dbraw/zinc/86/84/83/507868483.db2.gz DACLFAUVDSQWMB-LZWOXQAQSA-N 0 0 352.406 2.809 10 0 FFAERN COC(=O)[C@H]1CCN(CCOc2ccc(Cl)cc2Br)C1 ZINC000107820392 507868561 /nfs/dbraw/zinc/86/85/61/507868561.db2.gz YYOINPMHFLRUBR-JTQLQIEISA-N 0 0 362.651 2.976 10 0 FFAERN C[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)[C@@H]1CO ZINC000089854250 507874942 /nfs/dbraw/zinc/87/49/42/507874942.db2.gz FZFGGTKGNQBGHL-SUMWQHHRSA-N 0 0 367.877 2.801 10 0 FFAERN COC(=O)C[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000078486589 507875671 /nfs/dbraw/zinc/87/56/71/507875671.db2.gz NXCVBRDDEHAPAN-IBGZPJMESA-N 0 0 363.417 2.835 10 0 FFAERN O[C@@H]1CCC[C@@H]1CNc1nc2ccccc2c(NC[C@@H]2CCC[C@@H]2O)n1 ZINC000078498163 507877427 /nfs/dbraw/zinc/87/74/27/507877427.db2.gz KQMSHNVXMFAUJK-IHETXDGRSA-N 0 0 356.470 2.776 10 0 FFAERN C[C@@H](NC(=O)c1csc(-c2ncccn2)n1)c1ccc2c(c1)OCO2 ZINC000108200640 507881252 /nfs/dbraw/zinc/88/12/52/507881252.db2.gz PDINJLNOICHVGJ-SNVBAGLBSA-N 0 0 354.391 2.820 10 0 FFAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCc3nn(C)c(=O)cc3C2)cc1 ZINC000073142701 507897565 /nfs/dbraw/zinc/89/75/65/507897565.db2.gz LYPMLZRFRSHFKY-ROUUACIJSA-N 0 0 351.450 2.592 10 0 FFAERN Cn1ccnc1CN1CCN(C(=O)c2cccc(OC3CCCC3)c2)CC1 ZINC000108815597 507919722 /nfs/dbraw/zinc/91/97/22/507919722.db2.gz YEXVMSVDPAUXEF-UHFFFAOYSA-N 0 0 368.481 2.700 10 0 FFAERN C[C@H](c1nc(C(C)(C)C)no1)S(=O)(=O)Cc1noc2c1CCCC2 ZINC000108914791 507925221 /nfs/dbraw/zinc/92/52/21/507925221.db2.gz CBLQIFQCJFLOBN-SNVBAGLBSA-N 0 0 353.444 2.910 10 0 FFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000108932350 507926589 /nfs/dbraw/zinc/92/65/89/507926589.db2.gz OOUHESSZUAUENV-HZPDHXFCSA-N 0 0 359.470 2.643 10 0 FFAERN CCCC(=O)N[C@H]1CCCN(C(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000108932352 507926649 /nfs/dbraw/zinc/92/66/49/507926649.db2.gz OOUHESSZUAUENV-CVEARBPZSA-N 0 0 359.470 2.643 10 0 FFAERN CNC(=O)c1ccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000109004694 507931460 /nfs/dbraw/zinc/93/14/60/507931460.db2.gz INDIYANLHBRZCT-QGZVFWFLSA-N 0 0 353.470 2.701 10 0 FFAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000073568622 507933133 /nfs/dbraw/zinc/93/31/33/507933133.db2.gz GIFBPPLEOYMDCV-CRAIPNDOSA-N 0 0 361.486 2.756 10 0 FFAERN CCOC(=O)N1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109081647 507937225 /nfs/dbraw/zinc/93/72/25/507937225.db2.gz VAVGVBDBSOGWRW-KGLIPLIRSA-N 0 0 352.381 2.805 10 0 FFAERN O=C(CNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)NCCc1ccccc1 ZINC000109094989 507938828 /nfs/dbraw/zinc/93/88/28/507938828.db2.gz XFOIKQQHUJFJCB-JKSUJKDBSA-N 0 0 358.388 2.543 10 0 FFAERN Cc1nc2ccccc2cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000109106610 507939362 /nfs/dbraw/zinc/93/93/62/507939362.db2.gz LPUGJOTWLDUUCB-FQEVSTJZSA-N 0 0 361.445 2.973 10 0 FFAERN CC(=O)N[C@H](C(=O)Nc1nc(-c2ccsc2)ns1)C1CCCC1 ZINC000109109734 507940306 /nfs/dbraw/zinc/94/03/06/507940306.db2.gz MGTYHHRLYKZHSD-LBPRGKRZSA-N 0 0 350.469 2.900 10 0 FFAERN CCOCc1ccccc1CNC(=O)N1CCC[C@@H]1C(=O)N(CC)CC ZINC000073636713 507941546 /nfs/dbraw/zinc/94/15/46/507941546.db2.gz VOHCCQNHRLSKRK-GOSISDBHSA-N 0 0 361.486 2.766 10 0 FFAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NC[C@H](C)N(C)c1ccccc1 ZINC000073657920 507943859 /nfs/dbraw/zinc/94/38/59/507943859.db2.gz CBVMTFRKOIDWMK-FUHWJXTLSA-N 0 0 360.502 2.554 10 0 FFAERN C[C@@H](NC(=O)N[C@@H](C)c1nncn1C)c1cccc(Br)c1 ZINC000079213213 507943912 /nfs/dbraw/zinc/94/39/12/507943912.db2.gz VFLMDWQVYIZBAB-ZJUUUORDSA-N 0 0 352.236 2.699 10 0 FFAERN O=C(C[C@H](O)c1ccccc1)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000091033836 507944389 /nfs/dbraw/zinc/94/43/89/507944389.db2.gz GSBADCOEWKXWTI-IBGZPJMESA-N 0 0 370.424 2.624 10 0 FFAERN CCn1c(C)nnc1CS(=O)(=O)Cc1nc(-c2cccs2)oc1C ZINC000091047961 507947087 /nfs/dbraw/zinc/94/70/87/507947087.db2.gz SCWCWNNFTMBYJX-UHFFFAOYSA-N 0 0 366.468 2.746 10 0 FFAERN CCc1c(C(=O)NCCCc2nc(C(C)C)no2)cnn1-c1ccccn1 ZINC000109217967 507948092 /nfs/dbraw/zinc/94/80/92/507948092.db2.gz OFTPOUDVVBDESM-UHFFFAOYSA-N 0 0 368.441 2.699 10 0 FFAERN O=C(/C=C/c1cnc2ccccc2n1)N[C@H]1CCN(c2ccccc2)C1=O ZINC000109241547 507949678 /nfs/dbraw/zinc/94/96/78/507949678.db2.gz SMVOQAPOLPRWLV-VYENPZKTSA-N 0 0 358.401 2.565 10 0 FFAERN O=C(/C=C/c1cnc2ccccc2n1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000109241549 507949890 /nfs/dbraw/zinc/94/98/90/507949890.db2.gz SMVOQAPOLPRWLV-GNISGLHKSA-N 0 0 358.401 2.565 10 0 FFAERN CCOC(=O)[C@H](CNC(=O)c1cc(F)ccc1OC)Cc1ccccc1 ZINC000109287917 507952156 /nfs/dbraw/zinc/95/21/56/507952156.db2.gz CSEGLRUMFOCTOU-HNNXBMFYSA-N 0 0 359.397 2.986 10 0 FFAERN CCOC(=O)[C@@H](CNC(=O)c1cc(F)ccc1OC)Cc1ccccc1 ZINC000109287919 507952230 /nfs/dbraw/zinc/95/22/30/507952230.db2.gz CSEGLRUMFOCTOU-OAHLLOKOSA-N 0 0 359.397 2.986 10 0 FFAERN CC[C@H](C)NC(=O)CCNC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000073784105 507955164 /nfs/dbraw/zinc/95/51/64/507955164.db2.gz QNPBUBBKFULRJN-SZMVWBNQSA-N 0 0 361.486 2.589 10 0 FFAERN COc1cc(CN(C)[C@@H]2CCN(c3ccccc3)C2=O)cc(OC)c1OC ZINC000109326336 507955446 /nfs/dbraw/zinc/95/54/46/507955446.db2.gz ARNOPEBCBXKYHB-QGZVFWFLSA-N 0 0 370.449 2.950 10 0 FFAERN C[C@@H](SCc1ccccc1)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000109362766 507957542 /nfs/dbraw/zinc/95/75/42/507957542.db2.gz DBIZWHIUGWJEHE-RHSMWYFYSA-N 0 0 374.481 2.908 10 0 FFAERN O=C(NCCCc1cccc(F)c1)N1CCN(c2cccc(O)c2)CC1 ZINC000109402754 507960403 /nfs/dbraw/zinc/96/04/03/507960403.db2.gz RFEYFJKQAHCGJS-UHFFFAOYSA-N 0 0 357.429 2.996 10 0 FFAERN CC[C@H](CNC(=O)c1sc(S(N)(=O)=O)cc1C)c1ccccc1 ZINC000109411029 507961396 /nfs/dbraw/zinc/96/13/96/507961396.db2.gz PAHNOHZPNWVJAC-GFCCVEGCSA-N 0 0 352.481 2.628 10 0 FFAERN COc1ccc(-n2ccc(CNC(=O)C[C@H](O)c3ccccc3)n2)cc1 ZINC000091172392 507962314 /nfs/dbraw/zinc/96/23/14/507962314.db2.gz VZEYBAINWUGLEU-IBGZPJMESA-N 0 0 351.406 2.621 10 0 FFAERN Cc1ccc(NC(=O)Cc2noc(-c3ccc(N4CCCC4)nn3)n2)cc1 ZINC000109445674 507963638 /nfs/dbraw/zinc/96/36/38/507963638.db2.gz FUKABXJZECFLKL-UHFFFAOYSA-N 0 0 364.409 2.616 10 0 FFAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000091204170 507967728 /nfs/dbraw/zinc/96/77/28/507967728.db2.gz MKKWFURZZUJTKF-CQSZACIVSA-N 0 0 369.465 2.807 10 0 FFAERN C[C@H](CNC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)N1CCOCC1 ZINC000079506176 507969906 /nfs/dbraw/zinc/96/99/06/507969906.db2.gz OUAUUCSXZKPDAD-GFCCVEGCSA-N 0 0 369.387 2.648 10 0 FFAERN Cc1ccc(N2CCCN(C(=O)COc3ccc(Cl)c(C)c3)CC2)nn1 ZINC000109632750 507973557 /nfs/dbraw/zinc/97/35/57/507973557.db2.gz NPJBWPFOYRPCLK-UHFFFAOYSA-N 0 0 374.872 2.865 10 0 FFAERN Cc1ccc(N2CCCN(C(=O)c3ccccc3OCC3CC3)CC2)nn1 ZINC000109634363 507973596 /nfs/dbraw/zinc/97/35/96/507973596.db2.gz ITZLOABSTDUAEQ-UHFFFAOYSA-N 0 0 366.465 2.926 10 0 FFAERN O=C(c1cc(F)cc2[nH]c(=S)[nH]c21)N1CCCN(c2cccnn2)CC1 ZINC000109632505 507973649 /nfs/dbraw/zinc/97/36/49/507973649.db2.gz BPIKWUZQXUHFGB-UHFFFAOYSA-N 0 0 372.429 2.507 10 0 FFAERN O=C(c1nc(Cl)ccc1Cl)N1CCC(Nc2cccnn2)CC1 ZINC000109639713 507974298 /nfs/dbraw/zinc/97/42/98/507974298.db2.gz RHOBRQVTOJJTGJ-UHFFFAOYSA-N 0 0 352.225 2.895 10 0 FFAERN Cc1cc2ccccc2n1CC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000109643501 507974897 /nfs/dbraw/zinc/97/48/97/507974897.db2.gz IXXLOHSRYLLEGL-UHFFFAOYSA-N 0 0 363.465 2.867 10 0 FFAERN Cc1ccccc1C1(C(=O)N2CCC(N(C)c3cccnn3)CC2)CC1 ZINC000109643319 507975036 /nfs/dbraw/zinc/97/50/36/507975036.db2.gz DSHMCCNKXUEWEZ-UHFFFAOYSA-N 0 0 350.466 2.944 10 0 FFAERN CCOc1ccnc(N2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)n1 ZINC000109653566 507975707 /nfs/dbraw/zinc/97/57/07/507975707.db2.gz XHBPVTMEIXAOKU-KRWDZBQOSA-N 0 0 354.454 2.718 10 0 FFAERN CCCOc1cccc(C(=O)N2CCN(c3nccc(OCC)n3)CC2)c1 ZINC000109653755 507975821 /nfs/dbraw/zinc/97/58/21/507975821.db2.gz BQZKDPWRTFVMBV-UHFFFAOYSA-N 0 0 370.453 2.627 10 0 FFAERN Cc1ccccc1SCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000109656460 507976698 /nfs/dbraw/zinc/97/66/98/507976698.db2.gz ACDAPJBVMCIEMA-UHFFFAOYSA-N 0 0 358.511 2.555 10 0 FFAERN COC[C@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)c1ccc(F)c(F)c1 ZINC000091258041 507977075 /nfs/dbraw/zinc/97/70/75/507977075.db2.gz WQECEZCSBNDLFR-KRWDZBQOSA-N 0 0 364.396 2.965 10 0 FFAERN CCn1cc(CN2CCCN(C(=O)c3cc(C)n(C(C)(C)C)n3)CC2)cn1 ZINC000109663288 507977362 /nfs/dbraw/zinc/97/73/62/507977362.db2.gz MLFIXQGLTJCCKT-UHFFFAOYSA-N 0 0 372.517 2.511 10 0 FFAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000109668992 507978871 /nfs/dbraw/zinc/97/88/71/507978871.db2.gz LPDGXHTXBJPULG-INIZCTEOSA-N 0 0 366.469 2.982 10 0 FFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccnc(-n2ccnc2)c1 ZINC000109672814 507979188 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CCc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)nc(C)n1 ZINC000089917039 507883112 /nfs/dbraw/zinc/88/31/12/507883112.db2.gz OETSZHJSHWIKCK-CRAIPNDOSA-N 0 0 356.401 2.645 10 0 FFAERN Cc1nc(C)c(CCNC(=O)NCc2cnn(-c3ccccc3)c2)s1 ZINC000108435184 507894433 /nfs/dbraw/zinc/89/44/33/507894433.db2.gz IBEQXPPPLWTECV-UHFFFAOYSA-N 0 0 355.467 2.988 10 0 FFAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCc3sc(C)nc3C)C2)no1 ZINC000108586838 507906990 /nfs/dbraw/zinc/90/69/90/507906990.db2.gz JJASZSORISOFSX-CQSZACIVSA-N 0 0 363.487 2.658 10 0 FFAERN c1c(CN2CCN(Cc3noc4c3CCCC4)CC2)nc2ccccn12 ZINC000108851392 507922202 /nfs/dbraw/zinc/92/22/02/507922202.db2.gz YMFYWGVBZKQLQU-UHFFFAOYSA-N 0 0 351.454 2.519 10 0 FFAERN CCCOc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000078993926 507923007 /nfs/dbraw/zinc/92/30/07/507923007.db2.gz NIAWPQUVIAAYGT-GXTWGEPZSA-N 0 0 368.861 2.735 10 0 FFAERN Cc1cnn(CCNc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)c1 ZINC000108949176 507927657 /nfs/dbraw/zinc/92/76/57/507927657.db2.gz 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XJSWYXOCFYGSRM-MGPQQGTHSA-N 0 0 370.291 2.743 10 0 FFAERN O=C(Cc1cccc2ccccc21)NCC(=O)N[C@@H]1COc2ccccc21 ZINC000195106703 510673012 /nfs/dbraw/zinc/67/30/12/510673012.db2.gz AUUPCVQXIGAOQT-LJQANCHMSA-N 0 0 360.413 2.748 10 0 FFAERN CSC1(CNC(=O)N2CCN(c3nc4ccccc4o3)CC2)CCC1 ZINC000195113233 510674775 /nfs/dbraw/zinc/67/47/75/510674775.db2.gz FGJICYBPXCZSJZ-UHFFFAOYSA-N 0 0 360.483 2.945 10 0 FFAERN CCO[C@@H]1C[C@H](NC(=O)CCc2nc3c(cccc3C)[nH]2)C12CCOCC2 ZINC000185085186 510675246 /nfs/dbraw/zinc/67/52/46/510675246.db2.gz FYGIPJRPHGPKEM-DLBZAZTESA-N 0 0 371.481 2.894 10 0 FFAERN Cc1cnccc1CNC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000188263957 510675586 /nfs/dbraw/zinc/67/55/86/510675586.db2.gz LPHPCIJKGRBBNX-INIZCTEOSA-N 0 0 350.426 2.522 10 0 FFAERN Cc1noc([C@H]2COCCN2Cc2cc(F)cc(Br)c2)n1 ZINC000185084704 510676076 /nfs/dbraw/zinc/67/60/76/510676076.db2.gz UBHFHDCGJPKGJZ-CYBMUJFWSA-N 0 0 356.195 2.853 10 0 FFAERN Cc1cnn(CCNC(=O)N2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000175548601 510676704 /nfs/dbraw/zinc/67/67/04/510676704.db2.gz FKEXHRJXZZQRFQ-IBGZPJMESA-N 0 0 356.470 2.625 10 0 FFAERN COc1ccc([C@H]2CCCN2C(=O)CN[C@H](CCO)c2ccco2)cc1 ZINC000185098416 510684360 /nfs/dbraw/zinc/68/43/60/510684360.db2.gz MMEZEXJXYOFGHO-QZTJIDSGSA-N 0 0 358.438 2.665 10 0 FFAERN Cc1cc(-c2noc([C@H](C)N3CC[C@@H](N4CCOCC4)C3)n2)ccc1F ZINC000246807194 510685362 /nfs/dbraw/zinc/68/53/62/510685362.db2.gz BONOCSAUABLKJI-GOEBONIOSA-N 0 0 360.433 2.652 10 0 FFAERN CC[C@H](NC(=O)NCc1cccnc1-n1cncn1)c1ccc(F)cc1F ZINC000172354553 510686788 /nfs/dbraw/zinc/68/67/88/510686788.db2.gz CXPWMRXJFDGVHE-INIZCTEOSA-N 0 0 372.379 2.891 10 0 FFAERN Cc1ncsc1C(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246818372 510690858 /nfs/dbraw/zinc/69/08/58/510690858.db2.gz KMFMSVSEACBXRN-WCQYABFASA-N 0 0 351.497 2.705 10 0 FFAERN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)c1nnc2n1CCCC2 ZINC000178619932 510690960 /nfs/dbraw/zinc/69/09/60/510690960.db2.gz IAKCLYLQFMMEAR-LLVKDONJSA-N 0 0 371.466 2.540 10 0 FFAERN O=C(NCc1ccccc1-n1cccn1)N1CCC(Cn2cccn2)CC1 ZINC000172365774 510692071 /nfs/dbraw/zinc/69/20/71/510692071.db2.gz UFUKTZSMLPQWAP-UHFFFAOYSA-N 0 0 364.453 2.691 10 0 FFAERN COc1ccc(CCNC(=O)N2CCC(Cn3cccn3)CC2)cc1F ZINC000172374539 510696815 /nfs/dbraw/zinc/69/68/15/510696815.db2.gz WCEHKRQZRWFOGR-UHFFFAOYSA-N 0 0 360.433 2.695 10 0 FFAERN O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172389731 510704136 /nfs/dbraw/zinc/70/41/36/510704136.db2.gz BWXWJBQZMQMJTL-UHFFFAOYSA-N 0 0 374.400 2.632 10 0 FFAERN CCc1nnc(C2CCN(C(=O)C=Cc3cc(OC)cc(OC)c3)CC2)[nH]1 ZINC000191527591 510704431 /nfs/dbraw/zinc/70/44/31/510704431.db2.gz GIEAJIWORRFPOL-AATRIKPKSA-N 0 0 370.453 2.804 10 0 FFAERN COCc1cccc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000172391544 510704965 /nfs/dbraw/zinc/70/49/65/510704965.db2.gz ZIBGYZGAJBSIRR-UHFFFAOYSA-N 0 0 351.406 2.937 10 0 FFAERN CC[C@H](CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)Oc1cccc(F)c1 ZINC000175642158 510706916 /nfs/dbraw/zinc/70/69/16/510706916.db2.gz OYCQNYQDFUQNNC-RHSMWYFYSA-N 0 0 360.433 2.916 10 0 FFAERN CCOC1CC(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)(N2CCOCC2)C1 ZINC000195187146 510706926 /nfs/dbraw/zinc/70/69/26/510706926.db2.gz ZPCMEXAWEGSNEH-XTBIFASLSA-N 0 0 364.530 2.589 10 0 FFAERN Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000172396482 510708117 /nfs/dbraw/zinc/70/81/17/510708117.db2.gz BLMJHJVBQFFVSB-QGZVFWFLSA-N 0 0 363.465 2.924 10 0 FFAERN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246849393 510708409 /nfs/dbraw/zinc/70/84/09/510708409.db2.gz UTQXVXLSFUKVQC-GJZGRUSLSA-N 0 0 373.522 2.569 10 0 FFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2cc(C)c(F)c(C)c2)C12CCOCC2 ZINC000185145411 510709943 /nfs/dbraw/zinc/70/99/43/510709943.db2.gz KDTXIJZHDOTLGJ-CVEARBPZSA-N 0 0 371.474 2.695 10 0 FFAERN O=C(NC[C@H](O)c1ccsc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000172408360 510711929 /nfs/dbraw/zinc/71/19/29/510711929.db2.gz JJFTZBLYRJHFAD-AWEZNQCLSA-N 0 0 364.492 2.512 10 0 FFAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2cc(C)ccc2Cl)C12CCOCC2 ZINC000185147105 510711986 /nfs/dbraw/zinc/71/19/86/510711986.db2.gz DZQZYPDQCCIWNN-CVEARBPZSA-N 0 0 373.902 2.901 10 0 FFAERN CC(C)C[C@H](C)S(=O)(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000172410888 510712311 /nfs/dbraw/zinc/71/23/11/510712311.db2.gz ZFCHRLRLZCJCBG-HNNXBMFYSA-N 0 0 370.490 2.738 10 0 FFAERN Cc1nc([C@@H](NC(=O)/C=C/c2cncc(O)c2)c2ccccc2F)no1 ZINC000182018586 510712460 /nfs/dbraw/zinc/71/24/60/510712460.db2.gz VXHSVAHODBOLMJ-LXXRFIIISA-N 0 0 354.341 2.537 10 0 FFAERN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1ccn(-c2c(F)cccc2F)n1 ZINC000178670151 510712853 /nfs/dbraw/zinc/71/28/53/510712853.db2.gz PUQYLENAIKYDKN-WMZOPIPTSA-N 0 0 355.344 2.539 10 0 FFAERN CC(C)C[C@@H](C)S(=O)(=O)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000172412196 510714335 /nfs/dbraw/zinc/71/43/35/510714335.db2.gz PFWZRGDFBOMSFT-CQSZACIVSA-N 0 0 358.529 2.660 10 0 FFAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H](OCCO)C1 ZINC000178674210 510714617 /nfs/dbraw/zinc/71/46/17/510714617.db2.gz KZRIHPYSCRISNQ-YPMHNXCESA-N 0 0 362.253 2.761 10 0 FFAERN CCn1cnnc1C1CCN(Cc2nc(Cc3ccccc3C)no2)CC1 ZINC000175654549 510715178 /nfs/dbraw/zinc/71/51/78/510715178.db2.gz JGFVKMAKWWPBDM-UHFFFAOYSA-N 0 0 366.469 2.960 10 0 FFAERN CCCNC(=O)c1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000246868310 510719499 /nfs/dbraw/zinc/71/94/99/510719499.db2.gz QWPUDFCLKWPHNR-RCCFBDPRSA-N 0 0 356.466 2.904 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCCO3)C1 ZINC000172435196 510725755 /nfs/dbraw/zinc/72/57/55/510725755.db2.gz HACBWZNSECEUCK-MRXNPFEDSA-N 0 0 370.453 2.763 10 0 FFAERN C[C@@H]1CN(C(=O)NCCc2cccc3ccccc32)C[C@@H]1N1CCOCC1 ZINC000175673488 510727179 /nfs/dbraw/zinc/72/71/79/510727179.db2.gz KTUUZAOCEYCYCA-UTKZUKDTSA-N 0 0 367.493 2.744 10 0 FFAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000246889163 510728119 /nfs/dbraw/zinc/72/81/19/510728119.db2.gz GJDIHCDFLXBUIW-SLFFLAALSA-N 0 0 370.493 2.763 10 0 FFAERN O=S(=O)(Cc1ccccc1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246887664 510729046 /nfs/dbraw/zinc/72/90/46/510729046.db2.gz XBBNPGARSAGIBO-YOEHRIQHSA-N 0 0 353.390 2.603 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCCOCC(F)(F)F)C1 ZINC000172444361 510729423 /nfs/dbraw/zinc/72/94/23/510729423.db2.gz UBDIWXMJCGFCGR-CYBMUJFWSA-N 0 0 362.396 2.761 10 0 FFAERN Cc1cccc(N2CCC(NC(=O)NC[C@@]3(C)CCCC[C@@H]3O)CC2)n1 ZINC000178703811 510729935 /nfs/dbraw/zinc/72/99/35/510729935.db2.gz NTQJPPMRGGTFTC-FXAWDEMLSA-N 0 0 360.502 2.599 10 0 FFAERN CC[C@H](C)NC(=O)c1cccc(CNC(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000246894557 510732409 /nfs/dbraw/zinc/73/24/09/510732409.db2.gz CEQUKVGZEMUFIZ-BMGDILEWSA-N 0 0 361.486 2.565 10 0 FFAERN O=C(Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172454207 510734116 /nfs/dbraw/zinc/73/41/16/510734116.db2.gz SJSMZKHMJIXKBD-MSOLQXFVSA-N 0 0 351.406 2.815 10 0 FFAERN COCCN1CCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC000246900400 510734192 /nfs/dbraw/zinc/73/41/92/510734192.db2.gz AHTUALKOWGCGBZ-GOEBONIOSA-N 0 0 358.404 2.902 10 0 FFAERN CC(C)(C)[S@](=O)CCNC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000246904285 510738000 /nfs/dbraw/zinc/73/80/00/510738000.db2.gz CNYAGWKSUYTDBJ-DQIAKBPPSA-N 0 0 352.500 2.753 10 0 FFAERN Cc1cc(C)c(CCNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)c1 ZINC000175693944 510738218 /nfs/dbraw/zinc/73/82/18/510738218.db2.gz BTQXDWPZGOYHKL-QUCCMNQESA-N 0 0 359.514 2.516 10 0 FFAERN CCc1nccn1[C@@H]1CCCN([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000246911731 510741850 /nfs/dbraw/zinc/74/18/50/510741850.db2.gz AFKSCYREEWVHOQ-NVXWUHKLSA-N 0 0 351.458 2.819 10 0 FFAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000191594037 510742306 /nfs/dbraw/zinc/74/23/06/510742306.db2.gz LKLBGZAQJOZPJM-JOYOIKCWSA-N 0 0 371.224 2.869 10 0 FFAERN C[S@@](=O)c1ccc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)cc1 ZINC000175705341 510745725 /nfs/dbraw/zinc/74/57/25/510745725.db2.gz POOYPGHVWGXBKH-RUZDIDTESA-N 0 0 359.451 2.884 10 0 FFAERN CCSc1cc(CNC(=O)N2CC[C@@H](Oc3cccnc3)C2)ccn1 ZINC000188397632 510746113 /nfs/dbraw/zinc/74/61/13/510746113.db2.gz GRCJVJBOPQZKAP-MRXNPFEDSA-N 0 0 358.467 2.952 10 0 FFAERN COc1cc(OC)cc([C@H]2CCN(C(=O)/C=C/c3cncc(O)c3)C2)c1 ZINC000182087972 510750270 /nfs/dbraw/zinc/75/02/70/510750270.db2.gz FOLLETRAVHMYKV-BWPKMQGJSA-N 0 0 354.406 2.834 10 0 FFAERN O=C(N[C@@H]1CCCn2ncnc21)c1cc2c(cccc2Br)[nH]1 ZINC000175716648 510752058 /nfs/dbraw/zinc/75/20/58/510752058.db2.gz KJKDKSNIKHMWNA-GFCCVEGCSA-N 0 0 360.215 2.787 10 0 FFAERN Cc1cc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)ccc1C(=O)NC(C)C ZINC000172494121 510754547 /nfs/dbraw/zinc/75/45/47/510754547.db2.gz KMXGNWYDQNZPLB-RBUKOAKNSA-N 0 0 367.449 2.913 10 0 FFAERN Cc1ccc([C@H](CNC(=O)CC[C@@H]2CC[C@@H](C)O2)N2CCOCC2)s1 ZINC000246937899 510756454 /nfs/dbraw/zinc/75/64/54/510756454.db2.gz OSTFMUGNSMRZLG-PVAVHDDUSA-N 0 0 366.527 2.894 10 0 FFAERN Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000172502363 510757749 /nfs/dbraw/zinc/75/77/49/510757749.db2.gz YRPKUKVUOAEOBN-OAHLLOKOSA-N 0 0 370.453 2.587 10 0 FFAERN 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507972458 /nfs/dbraw/zinc/97/24/58/507972458.db2.gz DTGGUDUHCOHOSG-HZMBPMFUSA-N 0 0 351.353 2.975 10 0 FFAERN Cc1nc2cc(F)ccc2cc1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000109630073 507973138 /nfs/dbraw/zinc/97/31/38/507973138.db2.gz WJNNGWXXLUQGKI-UHFFFAOYSA-N 0 0 365.412 2.825 10 0 FFAERN Cc1ccc(C(=O)CCC(=O)N2CCCN(c3ccc(C)nn3)CC2)cc1 ZINC000109634468 507973407 /nfs/dbraw/zinc/97/34/07/507973407.db2.gz BPXHLIGCNUHVIJ-UHFFFAOYSA-N 0 0 366.465 2.795 10 0 FFAERN CC(C)(C)n1nc(C(=O)N2CCCN(c3cccnn3)CC2)cc1C1CC1 ZINC000109631943 507973417 /nfs/dbraw/zinc/97/34/17/507973417.db2.gz IODSHIKEOUCDDQ-UHFFFAOYSA-N 0 0 368.485 2.658 10 0 FFAERN O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC(Nc2cccnn2)CC1 ZINC000109636911 507974080 /nfs/dbraw/zinc/97/40/80/507974080.db2.gz KTNOUPPYKOXXQU-AWEZNQCLSA-N 0 0 372.856 2.784 10 0 FFAERN CCC(=O)Nc1cccc(C(=O)N2CCC(Nc3cccnn3)CC2)c1 ZINC000109637036 507974133 /nfs/dbraw/zinc/97/41/33/507974133.db2.gz HSQVNVAXEWBRPH-UHFFFAOYSA-N 0 0 353.426 2.542 10 0 FFAERN C[C@H](OCc1ccccc1)C(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000109642318 507974302 /nfs/dbraw/zinc/97/43/02/507974302.db2.gz JZUKYBRDVYDCPY-INIZCTEOSA-N 0 0 354.454 2.509 10 0 FFAERN COc1ccc2c(CC(=O)N3CCC(Nc4cccnn4)CC3)coc2c1 ZINC000109639466 507974579 /nfs/dbraw/zinc/97/45/79/507974579.db2.gz YTHWHMALBVFNGS-UHFFFAOYSA-N 0 0 366.421 2.877 10 0 FFAERN CCOc1ccnc(N2CCN(C(=O)CCCc3ccc(C)cc3)CC2)n1 ZINC000109653344 507975749 /nfs/dbraw/zinc/97/57/49/507975749.db2.gz UBJMZQZSQVDJIV-UHFFFAOYSA-N 0 0 368.481 2.855 10 0 FFAERN C[C@@H](CCc1ccccc1F)C(=O)NCc1cccnc1-n1cncn1 ZINC000079558193 507976324 /nfs/dbraw/zinc/97/63/24/507976324.db2.gz SHSVGOBELQKDIC-AWEZNQCLSA-N 0 0 353.401 2.687 10 0 FFAERN Cn1cc(CN2CCCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cn1 ZINC000109656593 507976584 /nfs/dbraw/zinc/97/65/84/507976584.db2.gz CFYHAXMRXRCSIM-UHFFFAOYSA-N 0 0 363.465 2.559 10 0 FFAERN CCS[C@H](C(=O)N1CCCN(Cc2cnn(CC)c2)CC1)C(C)C ZINC000109662518 507977118 /nfs/dbraw/zinc/97/71/18/507977118.db2.gz UZCSTXXONSQIDF-KRWDZBQOSA-N 0 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CCC(=O)Nc1cccc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000109864046 507993316 /nfs/dbraw/zinc/99/33/16/507993316.db2.gz SCKHHBZNMWUTTG-HNNXBMFYSA-N 0 0 367.453 2.981 10 0 FFAERN COc1ccc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)cc1OC ZINC000109863090 507993562 /nfs/dbraw/zinc/99/35/62/507993562.db2.gz SWWXASYBHDDJJB-AWEZNQCLSA-N 0 0 356.426 2.650 10 0 FFAERN COc1c(C)cnc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)c1C ZINC000110031163 508002336 /nfs/dbraw/zinc/00/23/36/508002336.db2.gz HIXVAVDMCDZICT-UHFFFAOYSA-N 0 0 371.485 2.675 10 0 FFAERN CCc1ccc(C(=O)CCC(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cc1 ZINC000110035146 508002348 /nfs/dbraw/zinc/00/23/48/508002348.db2.gz USCLJBPQFRZQIL-SFHVURJKSA-N 0 0 358.482 2.975 10 0 FFAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCOC3(CCCCC3)C2)C1 ZINC000074281438 508005433 /nfs/dbraw/zinc/00/54/33/508005433.db2.gz RGCZJPRXQQZXAK-SJORKVTESA-N 0 0 365.518 2.815 10 0 FFAERN O=C(CSc1ccncc1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091763772 508009331 /nfs/dbraw/zinc/00/93/31/508009331.db2.gz 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508019386 /nfs/dbraw/zinc/01/93/86/508019386.db2.gz LQOKUKWYPSXJOD-UHFFFAOYSA-N 0 0 366.465 2.644 10 0 FFAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCc1ccc(C)c(OC)c1 ZINC000074431381 508021885 /nfs/dbraw/zinc/02/18/85/508021885.db2.gz UAXNWLDBHGFCQZ-QGZVFWFLSA-N 0 0 361.486 2.589 10 0 FFAERN C[C@@H](CNC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000079981740 508022512 /nfs/dbraw/zinc/02/25/12/508022512.db2.gz YCTSXVVTEUBZLT-LBPRGKRZSA-N 0 0 360.285 2.856 10 0 FFAERN C[C@H](CNC(=O)N(Cc1ccc(Cl)cc1)C1CC1)N1CCOCC1 ZINC000079981832 508022838 /nfs/dbraw/zinc/02/28/38/508022838.db2.gz IGBGCXJFYMOBFP-CQSZACIVSA-N 0 0 351.878 2.735 10 0 FFAERN O=C(CN1C(=O)CSc2ccccc21)NC[C@H]1CCc2ccccc21 ZINC000110376157 508025199 /nfs/dbraw/zinc/02/51/99/508025199.db2.gz SVAXNOXIXDVVPT-OAHLLOKOSA-N 0 0 352.459 2.972 10 0 FFAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000074474670 508026226 /nfs/dbraw/zinc/02/62/26/508026226.db2.gz MGNVDFXQNKCYDJ-XHSDSOJGSA-N 0 0 362.474 2.740 10 0 FFAERN O=C(NCc1cccnc1-n1cncn1)N1CCSC2(CCCCC2)C1 ZINC000080070885 508034217 /nfs/dbraw/zinc/03/42/17/508034217.db2.gz VEWWYDCCOBMYCN-UHFFFAOYSA-N 0 0 372.498 2.624 10 0 FFAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H](COC)c2ccc(CC)o2)C1 ZINC000074570721 508036160 /nfs/dbraw/zinc/03/61/60/508036160.db2.gz NSFFURGJVBTPTA-HOCLYGCPSA-N 0 0 365.474 2.620 10 0 FFAERN Cc1nc(CN2CCC(CNc3cc(=O)n4ccccc4n3)CC2)oc1C ZINC000110603432 508036741 /nfs/dbraw/zinc/03/67/41/508036741.db2.gz IUAJQWBLYWBZPX-UHFFFAOYSA-N 0 0 367.453 2.623 10 0 FFAERN C[C@@H](NC(=O)C(=O)Nc1cccc2c1OCCO2)c1ccc(F)c(F)c1 ZINC000080143394 508043530 /nfs/dbraw/zinc/04/35/30/508043530.db2.gz BJYHNDPNRMJOIK-SNVBAGLBSA-N 0 0 362.332 2.552 10 0 FFAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000110756185 508046191 /nfs/dbraw/zinc/04/61/91/508046191.db2.gz VRZHOEJQLYHSSW-LBPRGKRZSA-N 0 0 353.348 2.732 10 0 FFAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2c(Cl)nc3ccccn32)C1 ZINC000110757498 508046263 /nfs/dbraw/zinc/04/62/63/508046263.db2.gz MXSBBLCXDFEGAG-LBPRGKRZSA-N 0 0 358.833 2.619 10 0 FFAERN COc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(F)cc(F)c2)cc1OC ZINC000080189707 508048824 /nfs/dbraw/zinc/04/88/24/508048824.db2.gz DFRYHFRNKSLFCF-SNVBAGLBSA-N 0 0 364.348 2.798 10 0 FFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](c2ncc(C)s2)C2CC2)C1 ZINC000074704958 508048800 /nfs/dbraw/zinc/04/88/00/508048800.db2.gz ZOMVOJJZNYRDFF-GDBMZVCRSA-N 0 0 364.515 2.993 10 0 FFAERN C[C@H]1CN(C(=O)C(=O)Nc2ccccc2N2CCCCCC2)C[C@H](C)O1 ZINC000080197772 508050244 /nfs/dbraw/zinc/05/02/44/508050244.db2.gz NPTDQWSVMNBYNA-HOTGVXAUSA-N 0 0 359.470 2.641 10 0 FFAERN COc1ccc2nc(C(=O)N3CCO[C@@H](c4nccs4)C3)ccc2c1 ZINC000110873997 508051918 /nfs/dbraw/zinc/05/19/18/508051918.db2.gz KEPIEVRUSMZWKM-MRXNPFEDSA-N 0 0 355.419 2.914 10 0 FFAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)o1 ZINC000080208843 508052174 /nfs/dbraw/zinc/05/21/74/508052174.db2.gz LSMGGRGBYWUVAY-AWEZNQCLSA-N 0 0 371.437 2.851 10 0 FFAERN O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110884462 508053081 /nfs/dbraw/zinc/05/30/81/508053081.db2.gz OGMBEHPZQCDSBD-GOEBONIOSA-N 0 0 371.462 2.634 10 0 FFAERN O=C(/C=C/c1cnc2ccccc2n1)N1CCO[C@@H](c2nccs2)C1 ZINC000110880890 508053195 /nfs/dbraw/zinc/05/31/95/508053195.db2.gz NEISHQJSETWXTL-SQRWCISFSA-N 0 0 352.419 2.700 10 0 FFAERN Cc1c(C(=O)N2CCO[C@H](c3nccs3)C2)cnn1-c1ccccc1F ZINC000110880709 508053224 /nfs/dbraw/zinc/05/32/24/508053224.db2.gz JXRIHCIGLWWQSD-INIZCTEOSA-N 0 0 372.425 2.990 10 0 FFAERN Cc1noc([C@@H](C)N2CCN(C(=O)[C@@H](C)SCc3ccccc3)CC2)n1 ZINC000110894405 508054539 /nfs/dbraw/zinc/05/45/39/508054539.db2.gz GBNVPITUICFZSS-HUUCEWRRSA-N 0 0 374.510 2.905 10 0 FFAERN Cc1noc([C@H](C)N2CCN(C(=O)[C@H](C)SCc3ccccc3)CC2)n1 ZINC000110894411 508054627 /nfs/dbraw/zinc/05/46/27/508054627.db2.gz GBNVPITUICFZSS-GJZGRUSLSA-N 0 0 374.510 2.905 10 0 FFAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3cccc(OCC(C)C)c3)CC2)n1 ZINC000110897420 508054911 /nfs/dbraw/zinc/05/49/11/508054911.db2.gz AZDWOKUTMFLBJH-OAHLLOKOSA-N 0 0 372.469 2.932 10 0 FFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Cn3c(C)cc4ccccc43)CCO2)n1 ZINC000110905239 508055921 /nfs/dbraw/zinc/05/59/21/508055921.db2.gz UCMFDOSCSCANII-LJQANCHMSA-N 0 0 366.465 2.691 10 0 FFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Cc3cccc(OC(C)C)c3)CCO2)n1 ZINC000110904619 508055929 /nfs/dbraw/zinc/05/59/29/508055929.db2.gz HNBKXPCYAZBYGN-HXUWFJFHSA-N 0 0 371.481 2.757 10 0 FFAERN CCc1cnc(CNC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)s1 ZINC000074842791 508060404 /nfs/dbraw/zinc/06/04/04/508060404.db2.gz VYSYKCHJMKRFEH-OAHLLOKOSA-N 0 0 356.455 2.721 10 0 FFAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000080306888 508064530 /nfs/dbraw/zinc/06/45/30/508064530.db2.gz HDRDDMXIVHXXRC-SQWLQELKSA-N 0 0 368.474 2.674 10 0 FFAERN Cc1ccc(C)c(OCCCCC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111076937 508068964 /nfs/dbraw/zinc/06/89/64/508068964.db2.gz ACQSJDYMFDUKMD-IBGZPJMESA-N 0 0 371.481 2.977 10 0 FFAERN C[C@@H](NC(=O)N1CCC(n2cncn2)CC1)c1nc(C2CCCCC2)no1 ZINC000074908971 508069578 /nfs/dbraw/zinc/06/95/78/508069578.db2.gz KGHNHSLJWDYNNL-CYBMUJFWSA-N 0 0 373.461 2.817 10 0 FFAERN CCn1cnnc1[C@@H]1CCCN(Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC000111213511 508078670 /nfs/dbraw/zinc/07/86/70/508078670.db2.gz WTDDRKZZWMRKLJ-OAHLLOKOSA-N 0 0 368.441 2.736 10 0 FFAERN CCn1c2cc(Br)ccc2[nH]c1=NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000092572649 508083164 /nfs/dbraw/zinc/08/31/64/508083164.db2.gz ACXYOZTVAFELKR-NOZJJQNGSA-N 0 0 352.232 2.747 10 0 FFAERN NC(=O)c1ccc(/C=C/C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000080593982 508086371 /nfs/dbraw/zinc/08/63/71/508086371.db2.gz UPHGODHTSIPRHB-VSRBDQBUSA-N 0 0 367.424 2.581 10 0 FFAERN COCCN(C)S(=O)(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000111331278 508090738 /nfs/dbraw/zinc/09/07/38/508090738.db2.gz DNNHAOXODCEBOE-MRVPVSSYSA-N 0 0 359.250 2.606 10 0 FFAERN CSc1ccc(S(=O)(=O)N2CCO[C@H](c3nccs3)C2)cc1 ZINC000111343350 508092069 /nfs/dbraw/zinc/09/20/69/508092069.db2.gz BLNVRLAULCBJLE-ZDUSSCGKSA-N 0 0 356.494 2.627 10 0 FFAERN O=C(Nc1cccnc1N1CCCC1)N1CCO[C@H](c2nccs2)C1 ZINC000111415575 508096795 /nfs/dbraw/zinc/09/67/95/508096795.db2.gz HEZIQPRESGFCKO-AWEZNQCLSA-N 0 0 359.455 2.744 10 0 FFAERN C[C@H](CNC(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000111452976 508100170 /nfs/dbraw/zinc/10/01/70/508100170.db2.gz MJZCHFGKLYZVQA-UONOGXRCSA-N 0 0 373.419 2.656 10 0 FFAERN Cc1nc(CN2CCC(CNC(=O)N3CCS[C@@H](C)C3)CC2)oc1C ZINC000111535940 508107358 /nfs/dbraw/zinc/10/73/58/508107358.db2.gz VBMVDBUGRSISKV-ZDUSSCGKSA-N 0 0 366.531 2.650 10 0 FFAERN COc1cc2c(cc1CNc1cncc(-n3ccnc3C)n1)O[C@H](C)C2 ZINC000092923877 508108393 /nfs/dbraw/zinc/10/83/93/508108393.db2.gz GDDMSILVVYIPMU-GFCCVEGCSA-N 0 0 351.410 2.915 10 0 FFAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000075523978 508113756 /nfs/dbraw/zinc/11/37/56/508113756.db2.gz ZGEBYEMHIMWNMP-SWHYSGLUSA-N 0 0 351.244 2.578 10 0 FFAERN Cc1cnn([C@H]2CCCN(C(=O)[C@@H](C)NC(=O)Nc3ccccc3)C2)c1 ZINC000111664188 508114615 /nfs/dbraw/zinc/11/46/15/508114615.db2.gz OEXHFYRVWFVIIS-WBVHZDCISA-N 0 0 355.442 2.565 10 0 FFAERN Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CO)c1 ZINC000093021041 508115229 /nfs/dbraw/zinc/11/52/29/508115229.db2.gz UAZRWGJODNLXRU-AAEUAGOBSA-N 0 0 362.289 2.539 10 0 FFAERN CC[C@H](C)Oc1ccc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111736400 508117918 /nfs/dbraw/zinc/11/79/18/508117918.db2.gz JKTWEUYGYQRABU-YJBOKZPZSA-N 0 0 358.442 2.993 10 0 FFAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Nc3cnc(C(C)(C)C)nc3)CCO2)n1 ZINC000111740031 508118382 /nfs/dbraw/zinc/11/83/82/508118382.db2.gz UAZFINIQJCZFCY-MRXNPFEDSA-N 0 0 372.473 2.520 10 0 FFAERN O=C(NCc1cccc(C(F)(F)F)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111794990 508122964 /nfs/dbraw/zinc/12/29/64/508122964.db2.gz CHTWBNOJFCQWAA-OAHLLOKOSA-N 0 0 368.359 2.513 10 0 FFAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCn3c(C)nc4ccccc43)C2)c1 ZINC000111806170 508123889 /nfs/dbraw/zinc/12/38/89/508123889.db2.gz LRNKDGCYWZLTHV-QGZVFWFLSA-N 0 0 366.469 2.896 10 0 FFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@@H](C)c3ccc(C)cc3)CCO2)n1 ZINC000111833531 508127274 /nfs/dbraw/zinc/12/72/74/508127274.db2.gz QLTNOCXTADYVEG-HKUYNNGSSA-N 0 0 356.470 2.980 10 0 FFAERN CC(C)COc1cccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111840023 508128298 /nfs/dbraw/zinc/12/82/98/508128298.db2.gz WEHFVSLDRTXYEE-LJQANCHMSA-N 0 0 372.469 2.529 10 0 FFAERN Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)sc1Br ZINC000081037221 508128886 /nfs/dbraw/zinc/12/88/86/508128886.db2.gz VKGSHTAYDKLYHW-RKDXNWHRSA-N 0 0 354.291 2.617 10 0 FFAERN CC(C)(C)c1ccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111844601 508128856 /nfs/dbraw/zinc/12/88/56/508128856.db2.gz BCTSOVUSSKIYFT-SFHVURJKSA-N 0 0 356.470 2.791 10 0 FFAERN Cc1noc([C@H](C)N2CCN(C(=O)N[C@H]3CCCC[C@@H]3C(C)C)CC2)n1 ZINC000111855202 508130816 /nfs/dbraw/zinc/13/08/16/508130816.db2.gz VVSSQBALLWKGFO-UAGQMJEPSA-N 0 0 363.506 2.981 10 0 FFAERN CCc1noc([C@H](C)N2CCN(C(=O)CCc3ccccc3C)CC2)n1 ZINC000112036616 508145916 /nfs/dbraw/zinc/14/59/16/508145916.db2.gz SOQFVMNMZNSVPK-INIZCTEOSA-N 0 0 356.470 2.778 10 0 FFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccccc3OCC3CC3)CCO2)c1 ZINC000112065018 508148189 /nfs/dbraw/zinc/14/81/89/508148189.db2.gz FJQHRVVPBFXEKS-KRWDZBQOSA-N 0 0 355.438 2.522 10 0 FFAERN Cc1cnn(C[C@@H]2CN(C(=O)c3sccc3Br)CCO2)c1 ZINC000112066019 508148350 /nfs/dbraw/zinc/14/83/50/508148350.db2.gz JACBSMLCUFVQOY-NSHDSACASA-N 0 0 370.272 2.557 10 0 FFAERN Cc1cnn(C[C@@H]2CN(C(=O)CSc3ccccc3Cl)CCO2)c1 ZINC000112066774 508148465 /nfs/dbraw/zinc/14/84/65/508148465.db2.gz LOASJZHHQMHXKJ-AWEZNQCLSA-N 0 0 365.886 2.865 10 0 FFAERN C[C@H]1C[C@H]1NC(=O)NCCc1ccc(I)s1 ZINC000075980017 508148916 /nfs/dbraw/zinc/14/89/16/508148916.db2.gz KNFDJMKHCKLHRA-IONNQARKSA-N 0 0 350.225 2.603 10 0 FFAERN Cc1cc(N2CCC(N(C)c3cccnn3)CC2)nc(-c2ccncc2)n1 ZINC000112080275 508149151 /nfs/dbraw/zinc/14/91/51/508149151.db2.gz RFHBQGBYZKTRES-UHFFFAOYSA-N 0 0 361.453 2.742 10 0 FFAERN CSCc1ccc(NC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000112127298 508153736 /nfs/dbraw/zinc/15/37/36/508153736.db2.gz IYSAXXXCVCYURE-KRWDZBQOSA-N 0 0 360.483 2.987 10 0 FFAERN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(C)(C)C)CC2)cc1 ZINC000112250595 508163675 /nfs/dbraw/zinc/16/36/75/508163675.db2.gz YBVUHWIUMNDDKL-HNNXBMFYSA-N 0 0 366.527 2.947 10 0 FFAERN CCOc1ncc(C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)cc1Cl ZINC000112245451 508163878 /nfs/dbraw/zinc/16/38/78/508163878.db2.gz JMKRAMSBYRREGR-GFCCVEGCSA-N 0 0 364.833 2.920 10 0 FFAERN CCOc1ncc(C(=O)N2CCC[C@H](c3nncn3CC)C2)cc1Cl ZINC000112295998 508170419 /nfs/dbraw/zinc/17/04/19/508170419.db2.gz ONLOJVRZQKDDKA-LBPRGKRZSA-N 0 0 363.849 2.765 10 0 FFAERN CN(C)S(=O)(=O)[C@@H]1CCOC[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000095074300 508172327 /nfs/dbraw/zinc/17/23/27/508172327.db2.gz FEDYKAZAXGCKJR-BXUZGUMPSA-N 0 0 352.283 2.832 10 0 FFAERN CC(C)(C)OC(=O)N1CCC[C@@H](OC2=NS(=O)(=O)c3ccccc32)C1 ZINC000095084588 508172558 /nfs/dbraw/zinc/17/25/58/508172558.db2.gz FCFMLGGMKXIWBF-GFCCVEGCSA-N 0 0 366.439 2.552 10 0 FFAERN O=C(CSc1ccncc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307372 508172908 /nfs/dbraw/zinc/17/29/08/508172908.db2.gz VJFGAZSXOCPPFD-UHFFFAOYSA-N 0 0 361.492 2.610 10 0 FFAERN Cc1cc(Cl)nc([S@@](=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095090500 508173509 /nfs/dbraw/zinc/17/35/09/508173509.db2.gz ZMZSQWYIUWMNNV-QVQLBTGDSA-N 0 0 359.879 2.946 10 0 FFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000081449398 508176179 /nfs/dbraw/zinc/17/61/79/508176179.db2.gz SHNFATHAJSSGKD-BTYIYWSLSA-N 0 0 374.481 2.870 10 0 FFAERN Cc1nc(C)n(C[C@H]2CCCN([C@@H]3CCN(c4ccccc4F)C3=O)C2)n1 ZINC000112345614 508176762 /nfs/dbraw/zinc/17/67/62/508176762.db2.gz FRYJBIBTMZKFBL-QFBILLFUSA-N 0 0 371.460 2.552 10 0 FFAERN O=C(c1cccs1)N1CCCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000112351620 508177631 /nfs/dbraw/zinc/17/76/31/508177631.db2.gz FMTDCTFOCMMOAI-KRWDZBQOSA-N 0 0 369.490 2.702 10 0 FFAERN COc1cccc(CNC(=O)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000112383707 508180124 /nfs/dbraw/zinc/18/01/24/508180124.db2.gz OEMCVHVHLNEIAB-UHFFFAOYSA-N 0 0 373.478 2.814 10 0 FFAERN Cc1nnc(NC(=O)N2CCN(c3nc4cc(C)ccc4o3)CC2)s1 ZINC000112386817 508180785 /nfs/dbraw/zinc/18/07/85/508180785.db2.gz ZMDROUFSQYDTNK-UHFFFAOYSA-N 0 0 358.427 2.650 10 0 FFAERN Cc1ccc2oc(N3CCN(C(=O)NCCc4nccs4)CC3)nc2c1 ZINC000112390259 508181194 /nfs/dbraw/zinc/18/11/94/508181194.db2.gz SQQJFDMNVAUWBE-UHFFFAOYSA-N 0 0 371.466 2.667 10 0 FFAERN CCOc1cc(CCCNC(=O)N[C@@H]2CCCC[C@H]2CO)ccc1OC ZINC000081497048 508182703 /nfs/dbraw/zinc/18/27/03/508182703.db2.gz PKIIXXFGYOSGKA-DLBZAZTESA-N 0 0 364.486 2.877 10 0 FFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000081569815 508191678 /nfs/dbraw/zinc/19/16/78/508191678.db2.gz FOZBIVWUCOMUIK-ZDUSSCGKSA-N 0 0 354.878 2.661 10 0 FFAERN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3[C@H](C)COC[C@@H]3C)C2)c1 ZINC000076361791 508192698 /nfs/dbraw/zinc/19/26/98/508192698.db2.gz CCVKPBHIZGAXCH-BBWFWOEESA-N 0 0 359.470 2.875 10 0 FFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1nc(-c2cccs2)oc1C ZINC000081579084 508192906 /nfs/dbraw/zinc/19/29/06/508192906.db2.gz 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508216719 /nfs/dbraw/zinc/21/67/19/508216719.db2.gz NQKMZAHFKLVHIX-ZDUSSCGKSA-N 0 0 352.394 2.605 10 0 FFAERN COc1ccccc1CCNC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112740600 508218173 /nfs/dbraw/zinc/21/81/73/508218173.db2.gz WYUDGJKTKIWBMO-UHFFFAOYSA-N 0 0 356.470 2.863 10 0 FFAERN COC(=O)N[C@@H](C(=O)NCc1nccn1CCCc1ccccc1)C(C)C ZINC000081932649 508218978 /nfs/dbraw/zinc/21/89/78/508218978.db2.gz WWWQZYJKVMMIKA-GOSISDBHSA-N 0 0 372.469 2.513 10 0 FFAERN O=C(c1ccccc1NCc1cccnc1)N1CCC(n2cncn2)CC1 ZINC000081958265 508221222 /nfs/dbraw/zinc/22/12/22/508221222.db2.gz CKKMWAUYYUAKLT-UHFFFAOYSA-N 0 0 362.437 2.763 10 0 FFAERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000081991072 508223802 /nfs/dbraw/zinc/22/38/02/508223802.db2.gz URHBOFXSYADLJU-GDBMZVCRSA-N 0 0 355.438 2.636 10 0 FFAERN Nc1cc(I)ccc1-n1cc(Br)cn1 ZINC000097350889 508224004 /nfs/dbraw/zinc/22/40/04/508224004.db2.gz NXGMREYPDJSBEA-UHFFFAOYSA-N 0 0 363.984 2.822 10 0 FFAERN 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508284684 /nfs/dbraw/zinc/28/46/84/508284684.db2.gz OZONHVSGGBSZLF-HNNXBMFYSA-N 0 0 352.398 2.541 10 0 FFAERN O=C(CSc1n[nH]c(-c2cccnc2)n1)N1CCC[C@H](C(F)(F)F)C1 ZINC000102829669 508287001 /nfs/dbraw/zinc/28/70/01/508287001.db2.gz OQKUVWJOUHSBEV-NSHDSACASA-N 0 0 371.388 2.760 10 0 FFAERN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc(I)cc1 ZINC000077205749 508287833 /nfs/dbraw/zinc/28/78/33/508287833.db2.gz IXGTXBDQDLEGER-DGCLKSJQSA-N 0 0 359.207 2.572 10 0 FFAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc(I)cc1 ZINC000077205744 508287935 /nfs/dbraw/zinc/28/79/35/508287935.db2.gz IXGTXBDQDLEGER-AAEUAGOBSA-N 0 0 359.207 2.572 10 0 FFAERN CN(C[C@H]1CCCO1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000102897605 508288787 /nfs/dbraw/zinc/28/87/87/508288787.db2.gz MQZAOLFGNANMAM-GOSISDBHSA-N 0 0 350.422 2.731 10 0 FFAERN COc1cccc(-c2nsc(NC(=O)[C@@H]3CCCN3C(=O)C(C)C)n2)c1 ZINC000102910807 508289452 /nfs/dbraw/zinc/28/94/52/508289452.db2.gz MDIJUUDJMHMGCE-AWEZNQCLSA-N 0 0 374.466 2.799 10 0 FFAERN CC(C)[C@H](C)NC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000102958209 508290519 /nfs/dbraw/zinc/29/05/19/508290519.db2.gz MIMWNMIJJNUJIQ-LBPRGKRZSA-N 0 0 355.841 2.991 10 0 FFAERN C[C@@H](NC(=O)C(=O)Nc1nc2c(ccc3c2CCCC3)s1)[C@H]1CCCO1 ZINC000114041108 508291469 /nfs/dbraw/zinc/29/14/69/508291469.db2.gz HTIOSOTYYOBZSJ-BXUZGUMPSA-N 0 0 373.478 2.797 10 0 FFAERN CN(C)C(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000102987281 508291585 /nfs/dbraw/zinc/29/15/85/508291585.db2.gz SSTLVQLKAAJLHO-DLBZAZTESA-N 0 0 362.495 2.515 10 0 FFAERN COc1ccc(-c2nsc(NC(=O)[C@@H]3CCCN3C(=O)C(C)C)n2)cc1 ZINC000103034950 508293466 /nfs/dbraw/zinc/29/34/66/508293466.db2.gz HHGIMUSCRHXUNW-AWEZNQCLSA-N 0 0 374.466 2.799 10 0 FFAERN CCCC(=O)N1CSC[C@@H]1C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103127544 508297813 /nfs/dbraw/zinc/29/78/13/508297813.db2.gz NLEISBUWLCJOJO-MRXNPFEDSA-N 0 0 359.495 2.837 10 0 FFAERN CCOc1ccc(OCCNC(=O)CN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114201993 508299115 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250602307 /nfs/dbraw/zinc/60/23/07/250602307.db2.gz RROUOTBZZNISHK-RMKNXTFCSA-N 0 0 369.490 2.906 10 0 FFAERN CCS(=O)(=O)c1ccc2oc(CN3CCO[C@H]4CCCC[C@@H]43)nc2c1 ZINC000121465532 250707618 /nfs/dbraw/zinc/70/76/18/250707618.db2.gz YTRGEZFQDLFRNO-RDJZCZTQSA-N 0 0 364.467 2.765 10 0 FFAERN Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NC[C@H]3CCCC[C@H]3O)c2)n1 ZINC000130046814 250878695 /nfs/dbraw/zinc/87/86/95/250878695.db2.gz VDSQAXCCGWZFCP-NVXWUHKLSA-N 0 0 371.437 2.564 10 0 FFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCC(C)(C)c3ccncc3)C2)n1 ZINC000130281154 250896121 /nfs/dbraw/zinc/89/61/21/250896121.db2.gz SVPHTDUPBVKVOH-QGZVFWFLSA-N 0 0 370.501 2.689 10 0 FFAERN CCN(CC)c1ccc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)cc1 ZINC000131189399 250968407 /nfs/dbraw/zinc/96/84/07/250968407.db2.gz QUDKNIPYLQIDNO-UHFFFAOYSA-N 0 0 371.485 2.572 10 0 FFAERN C[C@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1nnc2n1CCCC2 ZINC000131714210 251012303 /nfs/dbraw/zinc/01/23/03/251012303.db2.gz GMMYSVUETYGJFS-LBPRGKRZSA-N 0 0 368.466 2.580 10 0 FFAERN 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Cc1nnc([C@H]2CN(C(=O)C3(c4ccc(F)cc4)CCCC3)CCO2)[nH]1 ZINC000173537363 251202531 /nfs/dbraw/zinc/20/25/31/251202531.db2.gz PNKQIRGIVGXIKI-MRXNPFEDSA-N 0 0 358.417 2.664 10 0 FFAERN C[C@H](CNC(=O)NCc1cccnc1-n1cncn1)Sc1ccccc1 ZINC000175460789 251212170 /nfs/dbraw/zinc/21/21/70/251212170.db2.gz IXHOTENITCSUMP-CQSZACIVSA-N 0 0 368.466 2.642 10 0 FFAERN CCc1nnc([C@H]2CN(C(=O)C[C@@H](C)Cc3ccccc3OC)CCO2)[nH]1 ZINC000173553763 251206486 /nfs/dbraw/zinc/20/64/86/251206486.db2.gz RPAMXFZRBWUFRD-WMLDXEAASA-N 0 0 372.469 2.545 10 0 FFAERN CCc1nnc([C@H]2CN(C(=O)CCc3c[nH]c4c3cccc4C)CCO2)[nH]1 ZINC000173571513 251210109 /nfs/dbraw/zinc/21/01/09/251210109.db2.gz RXWHWMFKNDHJGZ-MRXNPFEDSA-N 0 0 367.453 2.690 10 0 FFAERN C[C@@H](COCc1ccccc1)NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000175589913 251232962 /nfs/dbraw/zinc/23/29/62/251232962.db2.gz XVADGUYKBDAVKV-HOCLYGCPSA-N 0 0 373.419 2.775 10 0 FFAERN COC(=O)[C@H]1CCC[C@H](C(=O)N2CCC(Oc3ccc(C)cn3)CC2)C1 ZINC000181189537 251255411 /nfs/dbraw/zinc/25/54/11/251255411.db2.gz JJMBGBXHLZLGKG-HOTGVXAUSA-N 0 0 360.454 2.739 10 0 FFAERN C[C@@H](Oc1cccc2ccccc21)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000192557588 251288394 /nfs/dbraw/zinc/28/83/94/251288394.db2.gz TWFBDUOKBQHHFE-AEFFLSMTSA-N 0 0 365.433 2.731 10 0 FFAERN CC(C)C[C@H](C)OCCC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000252647366 251310740 /nfs/dbraw/zinc/31/07/40/251310740.db2.gz JKXHVVDBIFRSFJ-LZLYRXPVSA-N 0 0 351.491 2.533 10 0 FFAERN COc1ccc(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1NS(C)(=O)=O ZINC000252734106 251313068 /nfs/dbraw/zinc/31/30/68/251313068.db2.gz SIMTVUGNGCUVDM-APHBMKBZSA-N 0 0 354.472 2.682 10 0 FFAERN Cc1oc2ccc(NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)cc2c1C ZINC000253185550 251314885 /nfs/dbraw/zinc/31/48/85/251314885.db2.gz LBKOODMLXYKVSJ-KBRIMQKVSA-N 0 0 356.422 2.918 10 0 FFAERN CCO[C@@H]1C[C@H](NC(=O)N(C)CCc2ccncc2)[C@H]1Oc1ccccc1 ZINC000251667469 251299033 /nfs/dbraw/zinc/29/90/33/251299033.db2.gz LLPPIJMPZVOTSP-XUVXKRRUSA-N 0 0 369.465 2.891 10 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ZINC000109668899 507978741 /nfs/dbraw/zinc/97/87/41/507978741.db2.gz RFQZUSUJPKSERW-SFHVURJKSA-N 0 0 357.454 2.796 10 0 FFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000109670963 507978757 /nfs/dbraw/zinc/97/87/57/507978757.db2.gz KUYFUZSXGKHHRS-QGZVFWFLSA-N 0 0 354.454 2.716 10 0 FFAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(Cl)c1 ZINC000109670433 507978775 /nfs/dbraw/zinc/97/87/75/507978775.db2.gz YSVMQAGJAWUEQH-INIZCTEOSA-N 0 0 374.872 2.784 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2cccc(C[S@](C)=O)c2)C1 ZINC000109677778 507979829 /nfs/dbraw/zinc/97/98/29/507979829.db2.gz JKCCTRJFKRYHOG-CRICUBBOSA-N 0 0 359.495 2.801 10 0 FFAERN Cc1cnn([C@H]2CCCN(C(=O)c3sc(-c4ncccn4)nc3C)C2)c1 ZINC000109685873 507980966 /nfs/dbraw/zinc/98/09/66/507980966.db2.gz RQPRNXGJMOWOQP-AWEZNQCLSA-N 0 0 368.466 2.891 10 0 FFAERN Cc1cnn([C@@H]2CCCN(C(=O)C[C@H]3Sc4ccccc4NC3=O)C2)c1 ZINC000109686705 507981129 /nfs/dbraw/zinc/98/11/29/507981129.db2.gz FZSLCKNUECOPER-RHSMWYFYSA-N 0 0 370.478 2.858 10 0 FFAERN O=C(NCc1cccc(CO)c1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000074108857 507987551 /nfs/dbraw/zinc/98/75/51/507987551.db2.gz WNLPRAQLNCFZNZ-UXHICEINSA-N 0 0 354.450 2.977 10 0 FFAERN COc1ccc(-c2noc(CCc3c(C)nc(SC)[nH]c3=O)n2)cc1 ZINC000074123726 507989390 /nfs/dbraw/zinc/98/93/90/507989390.db2.gz ODTRKFIFAYQLAK-UHFFFAOYSA-N 0 0 358.423 2.644 10 0 FFAERN C[C@@H](CN1CCOCC1)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000091510091 507990408 /nfs/dbraw/zinc/99/04/08/507990408.db2.gz NBJLXHPPYQQYQA-GJZGRUSLSA-N 0 0 353.532 2.535 10 0 FFAERN COc1cc(OC)cc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000109861552 507992948 /nfs/dbraw/zinc/99/29/48/507992948.db2.gz AVOMEVCGVMIMFM-ZDUSSCGKSA-N 0 0 356.426 2.650 10 0 FFAERN COc1cc(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)cc(OC)c1C ZINC000109863286 507993528 /nfs/dbraw/zinc/99/35/28/507993528.db2.gz AVGGYANVYFJRMZ-CQSZACIVSA-N 0 0 370.453 2.958 10 0 FFAERN CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000110073884 508005334 /nfs/dbraw/zinc/00/53/34/508005334.db2.gz PNOFZQQIRQXSLO-UHFFFAOYSA-N 0 0 355.442 2.845 10 0 FFAERN COc1cccc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1OC ZINC000091761651 508009631 /nfs/dbraw/zinc/00/96/31/508009631.db2.gz OISYJLQQYBRZAK-MLGOLLRUSA-N 0 0 363.360 2.930 10 0 FFAERN O=C(COc1ccccc1F)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091765714 508010104 /nfs/dbraw/zinc/01/01/04/508010104.db2.gz IVVWHYSGUPKURV-MLGOLLRUSA-N 0 0 351.324 2.817 10 0 FFAERN OC[C@H]1CCCN1c1cc(NC[C@@H]2CCN(c3ccc(F)cc3)C2)ncn1 ZINC000110276624 508018331 /nfs/dbraw/zinc/01/83/31/508018331.db2.gz HXJKWDZBMUPXDV-MAUKXSAKSA-N 0 0 371.460 2.515 10 0 FFAERN CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ccnc(C2CC2)n1 ZINC000110289689 508018804 /nfs/dbraw/zinc/01/88/04/508018804.db2.gz OHSLLHSHMWWVPF-UHFFFAOYSA-N 0 0 361.467 2.663 10 0 FFAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc2ccccc21 ZINC000074474854 508025914 /nfs/dbraw/zinc/02/59/14/508025914.db2.gz GSVQAPKTCJYCLX-SFHVURJKSA-N 0 0 360.479 2.660 10 0 FFAERN CCn1c2ccc(Br)cc2[nH]c1=NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000092106843 508044615 /nfs/dbraw/zinc/04/46/15/508044615.db2.gz XENQXKMDAHASAJ-RNCFNFMXSA-N 0 0 352.232 3.325 10 0 FFAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000110755365 508046250 /nfs/dbraw/zinc/04/62/50/508046250.db2.gz YOYVMWXJVUIVEU-CYBMUJFWSA-N 0 0 350.369 2.919 10 0 FFAERN Cc1nn(-c2ccccc2)cc1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110877072 508052497 /nfs/dbraw/zinc/05/24/97/508052497.db2.gz XYSUKBPEOBPVPU-MRXNPFEDSA-N 0 0 354.435 2.851 10 0 FFAERN Cc1noc([C@H](C)N2CCN(C(=O)COc3cccc(C(C)C)c3)CC2)n1 ZINC000110895354 508054569 /nfs/dbraw/zinc/05/45/69/508054569.db2.gz VTKXNDXGLVVCQN-HNNXBMFYSA-N 0 0 372.469 2.786 10 0 FFAERN Cc1noc([C@H](C)N2CCN(C(=O)/C=C/c3ccccc3Cl)CC2)n1 ZINC000110894744 508054582 /nfs/dbraw/zinc/05/45/82/508054582.db2.gz HPALRJCYYBIFSX-GWJCSSMESA-N 0 0 360.845 2.950 10 0 FFAERN Cc1noc([C@H](C)N2CCN(C(=O)CCOc3ccc(C)cc3C)CC2)n1 ZINC000110896148 508054592 /nfs/dbraw/zinc/05/45/92/508054592.db2.gz 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ZINC000110951106 508058805 /nfs/dbraw/zinc/05/88/05/508058805.db2.gz LRVHVBRKMWIFLM-LLVKDONJSA-N 0 0 365.227 2.785 10 0 FFAERN Cn1cnnc1SCC(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000110971328 508061371 /nfs/dbraw/zinc/06/13/71/508061371.db2.gz POGYZOWBRKJSTK-UHFFFAOYSA-N 0 0 373.457 2.934 10 0 FFAERN O=C(c1cc(F)c(Cl)cc1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111085709 508069357 /nfs/dbraw/zinc/06/93/57/508069357.db2.gz LASGAGZICSRALQ-SNVBAGLBSA-N 0 0 358.200 2.870 10 0 FFAERN CCCN(CC)c1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111086282 508069981 /nfs/dbraw/zinc/06/99/81/508069981.db2.gz NUNGZDBYWNDTEL-LJQANCHMSA-N 0 0 356.470 2.661 10 0 FFAERN O=C(NC[C@H]1CCCC[C@H]1O)c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC000080433897 508073229 /nfs/dbraw/zinc/07/32/29/508073229.db2.gz NENSVQJUWVIFPD-IUODEOHRSA-N 0 0 365.380 2.959 10 0 FFAERN COc1ccc(C(=O)N2CCCN(C(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000075018363 508077679 /nfs/dbraw/zinc/07/76/79/508077679.db2.gz SOPIQSXMPHYCSH-UHFFFAOYSA-N 0 0 370.424 2.752 10 0 FFAERN Cc1cc(C(=O)N2CCCN(C(=O)c3ccncc3)CC2)c(C)n1C1CC1 ZINC000075036686 508078746 /nfs/dbraw/zinc/07/87/46/508078746.db2.gz MAFRFTMENIRWLG-UHFFFAOYSA-N 0 0 366.465 2.823 10 0 FFAERN O=C(Cc1ccccc1)N1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000075036020 508079073 /nfs/dbraw/zinc/07/90/73/508079073.db2.gz OZPFRTXOMDOOSF-UHFFFAOYSA-N 0 0 358.388 2.882 10 0 FFAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000080559907 508083640 /nfs/dbraw/zinc/08/36/40/508083640.db2.gz JLMSXWDMTLTNLD-STQMWFEESA-N 0 0 365.478 2.518 10 0 FFAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000080559912 508083764 /nfs/dbraw/zinc/08/37/64/508083764.db2.gz JLMSXWDMTLTNLD-OLZOCXBDSA-N 0 0 365.478 2.518 10 0 FFAERN CC(C)c1nnc(CN(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)n1C ZINC000111270322 508084343 /nfs/dbraw/zinc/08/43/43/508084343.db2.gz RZHRRPSKKBTUCE-OAHLLOKOSA-N 0 0 361.877 2.829 10 0 FFAERN CN(C)C(=O)c1ccc(CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)[nH]1 ZINC000092585950 508084416 /nfs/dbraw/zinc/08/44/16/508084416.db2.gz IPVPDKROVVBNAU-OAHLLOKOSA-N 0 0 364.490 2.596 10 0 FFAERN CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@H]2CCCn3ccnc32)c1 ZINC000080569540 508084954 /nfs/dbraw/zinc/08/49/54/508084954.db2.gz VWDJBJHFEDCQDY-YOEHRIQHSA-N 0 0 354.454 2.605 10 0 FFAERN Cc1cc(C)c(S(=O)(=O)N2CCO[C@H](c3nccs3)C2)c(C)c1 ZINC000111343370 508092125 /nfs/dbraw/zinc/09/21/25/508092125.db2.gz KAQOOXPDHQTSCC-AWEZNQCLSA-N 0 0 352.481 2.831 10 0 FFAERN CCCC(=O)N[C@H]1CCCN(Cc2cc(OC)c(OCC)c(OC)c2)C1 ZINC000092708621 508096595 /nfs/dbraw/zinc/09/65/95/508096595.db2.gz NLVGNNNOYASMOM-INIZCTEOSA-N 0 0 364.486 2.983 10 0 FFAERN O=C(Nc1ccc(N2CCCC2)nc1)N1CCO[C@H](c2nccs2)C1 ZINC000111415495 508096813 /nfs/dbraw/zinc/09/68/13/508096813.db2.gz HTMPANIJSAJYOC-AWEZNQCLSA-N 0 0 359.455 2.744 10 0 FFAERN Cc1noc([C@@H](C)N2CCN(C(=O)Nc3nc4ccccc4s3)CC2)n1 ZINC000111416286 508096816 /nfs/dbraw/zinc/09/68/16/508096816.db2.gz VIQCQPUWJLDVNZ-LLVKDONJSA-N 0 0 372.454 2.898 10 0 FFAERN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@@H]3C)CC2)cc1 ZINC000075521816 508113103 /nfs/dbraw/zinc/11/31/03/508113103.db2.gz PWWFWXKBCOLGED-KSSFIOAISA-N 0 0 364.511 2.735 10 0 FFAERN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N[C@@H]1C[C@@H]1C ZINC000075530491 508114231 /nfs/dbraw/zinc/11/42/31/508114231.db2.gz SELCHNMRUWVSHU-KBXCAEBGSA-N 0 0 358.463 2.612 10 0 FFAERN Cc1cc(NC(=O)NC[C@H]2CCN(C)c3ccccc32)ccc1C(N)=O ZINC000111759355 508120524 /nfs/dbraw/zinc/12/05/24/508120524.db2.gz MROVBEYWHBKKBX-CQSZACIVSA-N 0 0 352.438 2.839 10 0 FFAERN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)[C@@H]1CNC(=O)C1 ZINC000093095050 508120899 /nfs/dbraw/zinc/12/08/99/508120899.db2.gz KCXYOSYLOWCFIB-JTQLQIEISA-N 0 0 353.403 2.744 10 0 FFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@@H]3CCCc4ccccc43)CCO2)n1 ZINC000111791959 508122559 /nfs/dbraw/zinc/12/25/59/508122559.db2.gz VOLRTIHMWWQQNU-AZUAARDMSA-N 0 0 368.481 2.988 10 0 FFAERN Cc1nc(SCCC(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)n[nH]1 ZINC000081028589 508127581 /nfs/dbraw/zinc/12/75/81/508127581.db2.gz MLIZUINZOVRXGO-HNNXBMFYSA-N 0 0 360.483 2.974 10 0 FFAERN O=C(NCCCc1ccc(Cl)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111848109 508129347 /nfs/dbraw/zinc/12/93/47/508129347.db2.gz FQSYCPUXSASICZ-KRWDZBQOSA-N 0 0 362.861 2.580 10 0 FFAERN CCOc1ccccc1[C@@H](CC)NC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111849101 508129474 /nfs/dbraw/zinc/12/94/74/508129474.db2.gz CEHOZFJEUINEFK-SJLPKXTDSA-N 0 0 372.469 2.844 10 0 FFAERN O=C(N[C@@H](c1ccccc1)C1CCC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111855973 508130927 /nfs/dbraw/zinc/13/09/27/508130927.db2.gz XMXZONXKPGAKMO-MOPGFXCFSA-N 0 0 354.454 2.835 10 0 FFAERN CCS[C@H](C(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1)C(C)C ZINC000112035525 508145622 /nfs/dbraw/zinc/14/56/22/508145622.db2.gz TYIJILGKIXQDAF-ZFWWWQNUSA-N 0 0 354.520 2.615 10 0 FFAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3cc(Cl)ccc3Cl)CCO2)c1 ZINC000112064086 508148025 /nfs/dbraw/zinc/14/80/25/508148025.db2.gz VGCJBXAWPPJABW-HNNXBMFYSA-N 0 0 368.264 2.968 10 0 FFAERN 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O=C(c1ccc(N2CCCC2=O)cc1)N1CCC(Nc2nccs2)CC1 ZINC000190407806 510114161 /nfs/dbraw/zinc/11/41/61/510114161.db2.gz GGVNMXLHGGYQRG-UHFFFAOYSA-N 0 0 370.478 2.987 10 0 FFAERN CCc1ccc([C@H]2CCCCN2C(=O)C(=O)Nc2cnccc2OC)o1 ZINC000190407454 510114208 /nfs/dbraw/zinc/11/42/08/510114208.db2.gz ZABIEZMWJSSJQI-OAHLLOKOSA-N 0 0 357.410 2.938 10 0 FFAERN O=C(N[C@@H]1COc2ccccc21)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000174440137 510116484 /nfs/dbraw/zinc/11/64/84/510116484.db2.gz KTQXWXWUGJRIOV-MRXNPFEDSA-N 0 0 361.405 2.604 10 0 FFAERN Cc1cc(C(=O)N[C@@H]2CCCn3ncnc32)ccc1NC(=O)CC(C)C ZINC000177531328 510118491 /nfs/dbraw/zinc/11/84/91/510118491.db2.gz ZJUYDRHLDBOLKD-MRXNPFEDSA-N 0 0 355.442 2.836 10 0 FFAERN C[C@@H](NC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N(C)C ZINC000193900735 510118815 /nfs/dbraw/zinc/11/88/15/510118815.db2.gz HHAAATILQKAZAA-JGVFFNPUSA-N 0 0 350.221 2.969 10 0 FFAERN Cc1ccc(CNC(=O)N2CCS[C@@H](C)C2)c(-n2cc(Cl)cn2)n1 ZINC000190416273 510119501 /nfs/dbraw/zinc/11/95/01/510119501.db2.gz 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Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](C)c3ccncc3)C2=O)cc1 ZINC000190454078 510140695 /nfs/dbraw/zinc/14/06/95/510140695.db2.gz KKNWSTUTIGVIJR-QAPCUYQASA-N 0 0 352.438 2.551 10 0 FFAERN Cc1nnc([C@@H](NC(=O)NCc2ccc(Cl)cn2)c2ccccc2)[nH]1 ZINC000180845291 510141276 /nfs/dbraw/zinc/14/12/76/510141276.db2.gz HIGIWEHWZACNPJ-HNNXBMFYSA-N 0 0 356.817 2.750 10 0 FFAERN CSc1cccc(C)c1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000187235570 510141391 /nfs/dbraw/zinc/14/13/91/510141391.db2.gz PPYCCOJPHNFXLK-AUUYWEPGSA-N 0 0 362.495 2.809 10 0 FFAERN Cc1csc([C@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CCO2)n1 ZINC000193945537 510142219 /nfs/dbraw/zinc/14/22/19/510142219.db2.gz CFCHYOPBXCOHGP-CYBMUJFWSA-N 0 0 358.872 2.867 10 0 FFAERN COc1ccccc1O[C@@H](C)CNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177576512 510142395 /nfs/dbraw/zinc/14/23/95/510142395.db2.gz CHVIHGDHTJGCHD-JKSUJKDBSA-N 0 0 358.442 2.533 10 0 FFAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCC4)CCO2)n1 ZINC000193946219 510143100 /nfs/dbraw/zinc/14/31/00/510143100.db2.gz 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510149266 /nfs/dbraw/zinc/14/92/66/510149266.db2.gz DIEURZJYTPWDHC-VIFPVBQESA-N 0 0 351.827 2.830 10 0 FFAERN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(OC)c(F)c2)C12CCOCC2 ZINC000184129807 510150589 /nfs/dbraw/zinc/15/05/89/510150589.db2.gz IVIIKJDNBYSIGL-JKSUJKDBSA-N 0 0 352.406 2.930 10 0 FFAERN COc1ccccc1CCNC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000174513217 510152484 /nfs/dbraw/zinc/15/24/84/510152484.db2.gz CSMCJEOSWINYPH-UHFFFAOYSA-N 0 0 368.481 2.909 10 0 FFAERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000184131165 510152450 /nfs/dbraw/zinc/15/24/50/510152450.db2.gz OMZPWGIAZMIGER-HZPDHXFCSA-N 0 0 355.438 2.525 10 0 FFAERN O=C(NCc1nnc(-c2ccccc2)s1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000177602671 510155188 /nfs/dbraw/zinc/15/51/88/510155188.db2.gz DHBRNNVZQQDAHP-RDJZCZTQSA-N 0 0 366.446 2.663 10 0 FFAERN O=C(NCc1nnc(-c2ccccc2)s1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000177602655 510155487 /nfs/dbraw/zinc/15/54/87/510155487.db2.gz DHBRNNVZQQDAHP-WBVHZDCISA-N 0 0 366.446 2.663 10 0 FFAERN COc1cccc2c1nc(NC(=O)[C@H](C)NC(=O)Nc1ccccc1)n2C ZINC000184142482 510156856 /nfs/dbraw/zinc/15/68/56/510156856.db2.gz XQDSLLYVAFMXGX-LBPRGKRZSA-N 0 0 367.409 2.731 10 0 FFAERN CC(C)c1n[nH]cc1C(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000193977715 510157019 /nfs/dbraw/zinc/15/70/19/510157019.db2.gz PEIVEDPBRJJFNW-CFVMTHIKSA-N 0 0 362.474 2.908 10 0 FFAERN COC(=O)c1csc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)o2)c1C ZINC000180880790 510162857 /nfs/dbraw/zinc/16/28/57/510162857.db2.gz RBNQHOILHCEIGR-JTQLQIEISA-N 0 0 350.396 2.560 10 0 FFAERN Cc1nc(C[C@H]2CCCN(C(=O)Nc3cccnc3N3CCCC3)C2)no1 ZINC000171445271 510163054 /nfs/dbraw/zinc/16/30/54/510163054.db2.gz GTHHXJQKJWKJFF-OAHLLOKOSA-N 0 0 370.457 2.860 10 0 FFAERN O=C(CCc1ccc(OC(F)(F)F)cc1)N[C@H]1CCCn2ncnc21 ZINC000177616783 510163099 /nfs/dbraw/zinc/16/30/99/510163099.db2.gz SNRRAPVWRMUVKR-ZDUSSCGKSA-N 0 0 354.332 2.761 10 0 FFAERN Cc1nc(C[C@H]2CCCN([C@H](C)C(=O)NCCc3ccc(F)cc3)C2)no1 ZINC000245847172 510166916 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Cc1noc(C)c1[C@@H](C)C(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172387234 510702478 /nfs/dbraw/zinc/70/24/78/510702478.db2.gz LJLKXROVDOGXJK-GFCCVEGCSA-N 0 0 354.410 2.885 10 0 FFAERN CC[C@@H]1CN(C(=O)c2csc(Cc3ccccc3)n2)CCN1C[C@H](C)O ZINC000246843284 510705439 /nfs/dbraw/zinc/70/54/39/510705439.db2.gz MNHPOHWLRJYBSL-DOTOQJQBSA-N 0 0 373.522 2.651 10 0 FFAERN O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc2c(c1)NC(=O)CCS2 ZINC000178651847 510705840 /nfs/dbraw/zinc/70/58/40/510705840.db2.gz MEHVEYBLCCFTOT-QAPCUYQASA-N 0 0 354.431 2.509 10 0 FFAERN Cc1nn(C)c(Cl)c1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000188327437 510709982 /nfs/dbraw/zinc/70/99/82/510709982.db2.gz CGQHZNAJPWIQNO-RYUDHWBXSA-N 0 0 370.881 2.900 10 0 FFAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)s2)C12CCOCC2 ZINC000185155834 510717205 /nfs/dbraw/zinc/71/72/05/510717205.db2.gz MKUYZIJBSXDNHH-QWRGUYRKSA-N 0 0 365.904 2.654 10 0 FFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000175661071 510718867 /nfs/dbraw/zinc/71/88/67/510718867.db2.gz BWLOODRDNXEDFX-MRXNPFEDSA-N 0 0 370.457 2.637 10 0 FFAERN CCOc1ccc(NC(=O)C(=O)N[C@@H](C)C(C)C)cc1Br ZINC000188349319 510723506 /nfs/dbraw/zinc/72/35/06/510723506.db2.gz VTHROOXYNSSWEP-JTQLQIEISA-N 0 0 357.248 2.947 10 0 FFAERN COCC(=O)N1CCc2c1cccc2NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000182037722 510724163 /nfs/dbraw/zinc/72/41/63/510724163.db2.gz QDBFSKHGAABVIO-OAHLLOKOSA-N 0 0 357.237 2.745 10 0 FFAERN Cc1cc(C)c(OCC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000172432260 510724366 /nfs/dbraw/zinc/72/43/66/510724366.db2.gz PBPAOQNCVFVMHO-GOSISDBHSA-N 0 0 368.481 2.908 10 0 FFAERN CN(C(=O)c1cnc(-c2ccco2)s1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172435852 510725585 /nfs/dbraw/zinc/72/55/85/510725585.db2.gz SPPIAUGTTGQLNO-CYBMUJFWSA-N 0 0 369.450 2.934 10 0 FFAERN C[C@H]1CCCN(c2cc(N(C)C[C@@H](O)COCc3ccccc3)ncn2)C1 ZINC000246886187 510725967 /nfs/dbraw/zinc/72/59/67/510725967.db2.gz MXHUITOMEKDYLM-PKOBYXMFSA-N 0 0 370.497 2.727 10 0 FFAERN CCc1nccn1[C@H]1CCCN(C(=O)NCc2nc3ccccc3n2C)C1 ZINC000172438437 510727412 /nfs/dbraw/zinc/72/74/12/510727412.db2.gz LEAFIJRELNRNMP-HNNXBMFYSA-N 0 0 366.469 2.879 10 0 FFAERN Cc1cccc(N2CCC(NC(=O)NC[C@]3(C)CCCC[C@H]3O)CC2)n1 ZINC000178703821 510730061 /nfs/dbraw/zinc/73/00/61/510730061.db2.gz NTQJPPMRGGTFTC-XLIONFOSSA-N 0 0 360.502 2.599 10 0 FFAERN Cc1cc(N2CCC[C@@H](NC(=O)CC[C@@H](C)c3ccccc3)C2=O)n(C)n1 ZINC000178708365 510732588 /nfs/dbraw/zinc/73/25/88/510732588.db2.gz YHHBVZODFNGMPJ-CRAIPNDOSA-N 0 0 368.481 2.924 10 0 FFAERN C[C@H]1CN(C(=O)NCCc2csc3ccccc23)C[C@@H]1N1CCOCC1 ZINC000175692708 510737091 /nfs/dbraw/zinc/73/70/91/510737091.db2.gz HEXIUGYLMVMEJZ-YJBOKZPZSA-N 0 0 373.522 2.806 10 0 FFAERN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172460793 510738028 /nfs/dbraw/zinc/73/80/28/510738028.db2.gz MNJJGPFZVYBPBK-QRQLOZEOSA-N 0 0 354.406 2.634 10 0 FFAERN COc1ccccc1CC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246910183 510741219 /nfs/dbraw/zinc/74/12/19/510741219.db2.gz NRWOUAGUMZJADV-DOTOQJQBSA-N 0 0 374.506 2.877 10 0 FFAERN CCNC(=O)c1cccc(CNC(=O)N[C@H](C)COCc2ccccc2)c1 ZINC000175700551 510741504 /nfs/dbraw/zinc/74/15/04/510741504.db2.gz MKDKEQYVOUAGET-MRXNPFEDSA-N 0 0 369.465 2.841 10 0 FFAERN O=S(=O)(C1=Cc2ccccc2OCC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000185200755 510743702 /nfs/dbraw/zinc/74/37/02/510743702.db2.gz DDFZILFPRRVIHO-QGZVFWFLSA-N 0 0 372.446 2.688 10 0 FFAERN Cc1cccc(N2C[C@H](C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)CC2=O)c1C ZINC000246917436 510746125 /nfs/dbraw/zinc/74/61/25/510746125.db2.gz GDVKGFNFJAKHCL-FGSXEWAUSA-N 0 0 370.493 2.810 10 0 FFAERN Cc1cc(Br)ccc1C[S@@](=O)Cc1nnnn1C(C)C ZINC000182079857 510746432 /nfs/dbraw/zinc/74/64/32/510746432.db2.gz ZKCNBXDJWWJIGM-HXUWFJFHSA-N 0 0 357.277 2.774 10 0 FFAERN O=C(CCC1CCCC1)NCC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000175707895 510746482 /nfs/dbraw/zinc/74/64/82/510746482.db2.gz MFMLPDSCWVFFEM-UHFFFAOYSA-N 0 0 374.485 2.919 10 0 FFAERN CC(C)(C(=O)N[C@H]1CCc2ncnn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000191605080 510746488 /nfs/dbraw/zinc/74/64/88/510746488.db2.gz LQDNPIZYYPQZNX-LBPRGKRZSA-N 0 0 368.359 2.586 10 0 FFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000185208631 510748538 /nfs/dbraw/zinc/74/85/38/510748538.db2.gz VPYMJGUSXQBRAM-GYSYKLTISA-N 0 0 350.344 2.759 10 0 FFAERN O=C(N[C@H]1CCCn2ncnc21)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000175710082 510748910 /nfs/dbraw/zinc/74/89/10/510748910.db2.gz BCTFRBUNFJWIKL-NSHDSACASA-N 0 0 365.315 2.923 10 0 FFAERN O=C(N[C@@H]1CCCn2ncnc21)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000175710066 510749215 /nfs/dbraw/zinc/74/92/15/510749215.db2.gz BCTFRBUNFJWIKL-LLVKDONJSA-N 0 0 365.315 2.923 10 0 FFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1ccc(-c3ncon3)cc1)CC2 ZINC000172484580 510749707 /nfs/dbraw/zinc/74/97/07/510749707.db2.gz FEXNAPSYFXUGBP-CQSZACIVSA-N 0 0 367.413 2.588 10 0 FFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000175713243 510749999 /nfs/dbraw/zinc/74/99/99/510749999.db2.gz MKZLXICVLKGVHS-ZIAGYGMSSA-N 0 0 361.833 2.898 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccccc1Br)CC2 ZINC000195271658 510751128 /nfs/dbraw/zinc/75/11/28/510751128.db2.gz YEDKQUDHPVMUQN-NSHDSACASA-N 0 0 363.259 2.909 10 0 FFAERN C[C@H]1c2cccn2CCN1C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000178747355 510752812 /nfs/dbraw/zinc/75/28/12/510752812.db2.gz UEWQHLNNSVEHMC-QWRGUYRKSA-N 0 0 352.360 2.938 10 0 FFAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CC3(CC3)c3ccccc31)CC2 ZINC000172493821 510752876 /nfs/dbraw/zinc/75/28/76/510752876.db2.gz XSHQMGWTSXTBKO-CQSZACIVSA-N 0 0 351.454 2.978 10 0 FFAERN Cc1ccc(OCCC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c(C)c1 ZINC000195276449 510754722 /nfs/dbraw/zinc/75/47/22/510754722.db2.gz ILFGLWQWUZLASB-INIZCTEOSA-N 0 0 356.470 2.918 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)CC2 ZINC000195276523 510754789 /nfs/dbraw/zinc/75/47/89/510754789.db2.gz YCTUSGHSZQMRQM-OLZOCXBDSA-N 0 0 362.861 2.953 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)C1(c3ccccc3)CCOCC1)CC2 ZINC000195278258 510756165 /nfs/dbraw/zinc/75/61/65/510756165.db2.gz IWBXWIZPBKOLLJ-KRWDZBQOSA-N 0 0 368.481 2.581 10 0 FFAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1sccc1Br)CC2 ZINC000195279952 510758229 /nfs/dbraw/zinc/75/82/29/510758229.db2.gz SZIOTFGVAFKLDN-VIFPVBQESA-N 0 0 369.288 2.970 10 0 FFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1sccc1Br ZINC000175730854 510759365 /nfs/dbraw/zinc/75/93/65/510759365.db2.gz QZVIIFUSLLLGKM-SNVBAGLBSA-N 0 0 370.276 2.745 10 0 FFAERN CCOc1ccc(NC(=O)C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000246945262 510760991 /nfs/dbraw/zinc/76/09/91/510760991.db2.gz WYPNNNRZGBEFRW-GUDVDZBRSA-N 0 0 350.418 2.726 10 0 FFAERN O=C(c1ccc(CSc2nc[nH]n2)cc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000182113018 510763062 /nfs/dbraw/zinc/76/30/62/510763062.db2.gz ZWYBIVNMSXWXMY-AWEZNQCLSA-N 0 0 369.454 2.583 10 0 FFAERN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CCO[C@@H](Cn2cccn2)C1 ZINC000246950282 510763341 /nfs/dbraw/zinc/76/33/41/510763341.db2.gz BHHFSDZIXROIKP-GDBMZVCRSA-N 0 0 362.861 2.573 10 0 FFAERN COCCN1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000246955751 510766693 /nfs/dbraw/zinc/76/66/93/510766693.db2.gz BLXONDCZOVTNPF-CHWSQXEVSA-N 0 0 374.312 2.973 10 0 FFAERN C[C@@H](NC(=O)N1CCC(c2ccnn2C)CC1)c1nc2ccccc2[nH]1 ZINC000172522943 510769997 /nfs/dbraw/zinc/76/99/97/510769997.db2.gz KAGFFOKWRSIWSZ-CYBMUJFWSA-N 0 0 352.442 2.947 10 0 FFAERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000175757561 510774501 /nfs/dbraw/zinc/77/45/01/510774501.db2.gz WUXZPZWRJKLLLI-RYUDHWBXSA-N 0 0 368.861 2.647 10 0 FFAERN CN(CCCNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1 ZINC000246974721 510777711 /nfs/dbraw/zinc/77/77/11/510777711.db2.gz NZBPYGORRABTOU-APWZRJJASA-N 0 0 363.527 2.867 10 0 FFAERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000246987764 510785259 /nfs/dbraw/zinc/78/52/59/510785259.db2.gz NCDDAFYTFNUZDF-UHOFOFEASA-N 0 0 371.499 2.656 10 0 FFAERN CCn1cc([C@@H]2CN(Cc3cc(OC)cc4c3O[C@H](C)C4)CCO2)cn1 ZINC000191703377 510792595 /nfs/dbraw/zinc/79/25/95/510792595.db2.gz GROPOOXRZPQTHH-KUHUBIRLSA-N 0 0 357.454 2.809 10 0 FFAERN O=C([C@@H]1COc2ccccc21)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247001312 510792849 /nfs/dbraw/zinc/79/28/49/510792849.db2.gz REZYHHUPKFHCPY-NUEKZKHPSA-N 0 0 359.447 2.575 10 0 FFAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1cc(F)c(F)cc1F ZINC000178835123 510796020 /nfs/dbraw/zinc/79/60/20/510796020.db2.gz FHCFNJAQFJXIJT-AWEZNQCLSA-N 0 0 355.337 2.752 10 0 FFAERN C[C@@H](Sc1ccccc1Cl)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188504062 510801752 /nfs/dbraw/zinc/80/17/52/510801752.db2.gz BRQOCQMOIXPLQE-LLVKDONJSA-N 0 0 352.887 2.948 10 0 FFAERN CCc1ccc(-c2nc(CC(=O)N[C@@H](C(=O)NC)C(C)C)cs2)cc1 ZINC000178849414 510803081 /nfs/dbraw/zinc/80/30/81/510803081.db2.gz GIOSSBLWOBZQPO-QGZVFWFLSA-N 0 0 359.495 2.802 10 0 FFAERN COc1ccc(C(=O)N2CCC[C@H](NC(C)=O)C2)cc1OC1CCCC1 ZINC000182189667 510803459 /nfs/dbraw/zinc/80/34/59/510803459.db2.gz ZZPHOMJYBCLFFB-INIZCTEOSA-N 0 0 360.454 2.757 10 0 FFAERN Cc1ccc(Br)nc1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000191726497 510803887 /nfs/dbraw/zinc/80/38/87/510803887.db2.gz HNLFYVMTBUGTMZ-UHFFFAOYSA-N 0 0 363.259 2.901 10 0 FFAERN Cc1csc([C@H]2CN(C[C@H](O)COc3ccc(Cl)cc3)CCO2)n1 ZINC000195387573 510808158 /nfs/dbraw/zinc/80/81/58/510808158.db2.gz YIISUPSTEHPARU-GOEBONIOSA-N 0 0 368.886 2.918 10 0 FFAERN CCn1cc([C@H]2CN(C(=O)c3cccnc3C(F)(F)F)CCO2)cn1 ZINC000191737595 510808566 /nfs/dbraw/zinc/80/85/66/510808566.db2.gz SQISEHTWAAUKOX-CYBMUJFWSA-N 0 0 354.332 2.531 10 0 FFAERN CC(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000247034527 510809459 /nfs/dbraw/zinc/80/94/59/510809459.db2.gz FRERICHQYNJQQY-KSZLIROESA-N 0 0 360.454 2.734 10 0 FFAERN Cc1csc([C@H]2CN(CC(=O)Nc3cc(F)ccc3F)CCO2)n1 ZINC000195391439 510809692 /nfs/dbraw/zinc/80/96/92/510809692.db2.gz IPFCUCQNYOUSIK-CQSZACIVSA-N 0 0 353.394 2.742 10 0 FFAERN CNC(=O)[C@H](NC(=O)COC(c1ccccc1)c1ccccc1)C(C)C ZINC000178864558 510810191 /nfs/dbraw/zinc/81/01/91/510810191.db2.gz JOBRPSBDNWRBGL-LJQANCHMSA-N 0 0 354.450 2.679 10 0 FFAERN CC(=O)c1cccc(NC(=O)CN2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000195394237 510810885 /nfs/dbraw/zinc/81/08/85/510810885.db2.gz LOECADZAEYQVAC-INIZCTEOSA-N 0 0 359.451 2.666 10 0 FFAERN O=C(c1ncncc1Cl)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000175827116 510811856 /nfs/dbraw/zinc/81/18/56/510811856.db2.gz QNXZKLJLZMOHCG-UHFFFAOYSA-N 0 0 370.840 2.572 10 0 FFAERN CCn1cc([C@@H]2CN(C(=O)c3cc4ccccc4c(OC)n3)CCO2)cn1 ZINC000191746281 510812757 /nfs/dbraw/zinc/81/27/57/510812757.db2.gz YBBYETXFKHIMFH-SFHVURJKSA-N 0 0 366.421 2.674 10 0 FFAERN CCn1cc([C@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)on3)CCO2)cn1 ZINC000191751797 510813643 /nfs/dbraw/zinc/81/36/43/510813643.db2.gz FBFVKAUYMUNWOV-GOSISDBHSA-N 0 0 370.384 2.911 10 0 FFAERN CC(C)(C)c1csc([C@@H]2CN(CC(=O)N3CCCCC3)CCO2)n1 ZINC000195401457 510813698 /nfs/dbraw/zinc/81/36/98/510813698.db2.gz YJYHLGLPZCYCBY-AWEZNQCLSA-N 0 0 351.516 2.826 10 0 FFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2C)C1 ZINC000195405574 510814532 /nfs/dbraw/zinc/81/45/32/510814532.db2.gz BCLGVIDULYNLSR-GOSISDBHSA-N 0 0 368.481 2.761 10 0 FFAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000172602482 510815341 /nfs/dbraw/zinc/81/53/41/510815341.db2.gz FZJPGKYFHANPBS-HUUCEWRRSA-N 0 0 359.861 2.663 10 0 FFAERN O=C(N[C@H]1CCc2ncnn2C1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000172602532 510815396 /nfs/dbraw/zinc/81/53/96/510815396.db2.gz QYVZPRZJJOMMLX-AZUAARDMSA-N 0 0 373.460 2.950 10 0 FFAERN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)C[C@@H]2COC(=O)C2)C1 ZINC000247054490 510819043 /nfs/dbraw/zinc/81/90/43/510819043.db2.gz PBLHQFYDJIXXCA-KGLIPLIRSA-N 0 0 350.846 2.544 10 0 FFAERN Cc1nnc([C@@H]2CN(C(=O)c3ccnc(SC(C)(C)C)c3)CCO2)[nH]1 ZINC000182219905 510819854 /nfs/dbraw/zinc/81/98/54/510819854.db2.gz AMBMYRJODDTNSX-ZDUSSCGKSA-N 0 0 361.471 2.612 10 0 FFAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000191766212 510821182 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Cn1c(CN2CCO[C@H](c3cccc(OC(F)F)c3)C2)nnc1C1CC1 ZINC000179110931 509267440 /nfs/dbraw/zinc/26/74/40/509267440.db2.gz DXMHBFYSHHZXGC-HNNXBMFYSA-N 0 0 364.396 2.867 10 0 FFAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(OCC(F)F)ccn1 ZINC000182495835 509269351 /nfs/dbraw/zinc/26/93/51/509269351.db2.gz OGSCYCOMYWGPKV-UGFHNGPFSA-N 0 0 368.380 2.672 10 0 FFAERN Cn1ccnc1CC1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000162648041 509272108 /nfs/dbraw/zinc/27/21/08/509272108.db2.gz BDJIJIRODOXRQF-UHFFFAOYSA-N 0 0 366.465 2.642 10 0 FFAERN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000185628167 509273073 /nfs/dbraw/zinc/27/30/73/509273073.db2.gz FBURCGRIVDMHPZ-IMFGXOCKSA-N 0 0 357.498 2.816 10 0 FFAERN O=C(CNC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccs1 ZINC000179124326 509274099 /nfs/dbraw/zinc/27/40/99/509274099.db2.gz SKDFJTALOZUGED-UHFFFAOYSA-N 0 0 362.476 2.661 10 0 FFAERN COc1cc(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)ccc1OCC(N)=O ZINC000162661367 509275414 /nfs/dbraw/zinc/27/54/14/509275414.db2.gz QBLBOUSCKOUOHK-CXAGYDPISA-N 0 0 368.433 2.928 10 0 FFAERN CC(C)(C)c1nnc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)s1 ZINC000172861927 509277497 /nfs/dbraw/zinc/27/74/97/509277497.db2.gz MADUCLWEPMVIRI-UHFFFAOYSA-N 0 0 373.482 2.722 10 0 FFAERN COc1ccc([C@H]2CCCN2C(=O)CS(=O)(=O)Cc2ccccc2)cc1 ZINC000172867686 509280079 /nfs/dbraw/zinc/28/00/79/509280079.db2.gz KNKBNRRSSHPRLS-LJQANCHMSA-N 0 0 373.474 2.974 10 0 FFAERN CC(=O)Nc1ccc(/C=C/C(=O)N2CCC(Cc3nccn3C)CC2)cc1 ZINC000162689065 509280617 /nfs/dbraw/zinc/28/06/17/509280617.db2.gz IIBBKZIILKSLEO-VMPITWQZSA-N 0 0 366.465 2.873 10 0 FFAERN CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000162689742 509280785 /nfs/dbraw/zinc/28/07/85/509280785.db2.gz FQDWKMWBRNJQJZ-RDTXWAMCSA-N 0 0 364.511 2.803 10 0 FFAERN Cc1c(Cl)cccc1NC(=O)CCNC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000176029500 509282431 /nfs/dbraw/zinc/28/24/31/509282431.db2.gz XMCZRBPXDGVTAU-XJKSGUPXSA-N 0 0 367.877 2.827 10 0 FFAERN COc1cc(CNC(=O)C2CCN(C(=O)c3ccccn3)CC2)ccc1C ZINC000172871787 509282623 /nfs/dbraw/zinc/28/26/23/509282623.db2.gz VWXHSBAGGJCXLG-UHFFFAOYSA-N 0 0 367.449 2.567 10 0 FFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cnn(C2CCOCC2)c1C ZINC000162712715 509286057 /nfs/dbraw/zinc/28/60/57/509286057.db2.gz XMIRVUQIFUVERU-GOSISDBHSA-N 0 0 371.485 2.871 10 0 FFAERN O=C1CCCC[C@@H]1[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000248400585 509295975 /nfs/dbraw/zinc/29/59/75/509295975.db2.gz QIPIYVGNQSLXPJ-GHMZBOCLSA-N 0 0 363.888 2.550 10 0 FFAERN Cc1cccc(CCC(=O)N2CCC(NC(=O)c3cccnc3)CC2)c1 ZINC000219824026 509292520 /nfs/dbraw/zinc/29/25/20/509292520.db2.gz VGKTWAXFEJWQDQ-UHFFFAOYSA-N 0 0 351.450 2.744 10 0 FFAERN COc1cccc(/C(C)=C/C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)c1 ZINC000176048358 509295348 /nfs/dbraw/zinc/29/53/48/509295348.db2.gz MOMZOGFRZDQWPF-XIJQHFHMSA-N 0 0 369.465 2.839 10 0 FFAERN Cn1cc(CN2CCCN(C(=O)c3ccc(OC(C)(C)C)cc3)CC2)cn1 ZINC000176050457 509297267 /nfs/dbraw/zinc/29/72/67/509297267.db2.gz BRNSHYXSVXQASO-UHFFFAOYSA-N 0 0 370.497 2.946 10 0 FFAERN C[C@@H]1CN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)[C@H]2CCCC[C@@H]12 ZINC000248406549 509301451 /nfs/dbraw/zinc/30/14/51/509301451.db2.gz BECSDOMFLIQLMN-NEWSRXKRSA-N 0 0 371.529 2.554 10 0 FFAERN CCn1cnnc1C1CCN(C(=O)c2cnc(-c3ccncc3)s2)CC1 ZINC000172908141 509303898 /nfs/dbraw/zinc/30/38/98/509303898.db2.gz KGIISGDMNKVHBM-UHFFFAOYSA-N 0 0 368.466 2.836 10 0 FFAERN C[C@H]1CCS(=O)(=O)CCN1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000192026633 509303969 /nfs/dbraw/zinc/30/39/69/509303969.db2.gz QPXRRNACKQIPDS-ZFWWWQNUSA-N 0 0 366.483 2.507 10 0 FFAERN C[C@H]1CC[C@@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000162801995 509304328 /nfs/dbraw/zinc/30/43/28/509304328.db2.gz RJRVGLGZACEAAE-SUMWQHHRSA-N 0 0 366.417 2.900 10 0 FFAERN CCO[C@H]1C[C@@H](NC(=O)NCCc2sc(C)nc2C)C12CCOCC2 ZINC000185694048 509307053 /nfs/dbraw/zinc/30/70/53/509307053.db2.gz XCOMIDUDHTUSGP-CVEARBPZSA-N 0 0 367.515 2.576 10 0 FFAERN CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(Cl)nc2)C12CCOCC2 ZINC000185698987 509309891 /nfs/dbraw/zinc/30/98/91/509309891.db2.gz WLDSBYAJEIFKAL-LSDHHAIUSA-N 0 0 367.877 2.851 10 0 FFAERN CCO[C@H]1C[C@@H](NC(=O)NCC2(CCO)CCCCC2)C12CCOCC2 ZINC000185703576 509314545 /nfs/dbraw/zinc/31/45/45/509314545.db2.gz PYDNQLOFNLNQNX-SJORKVTESA-N 0 0 368.518 2.593 10 0 FFAERN C[C@@H](NC(=O)Nc1ccc(C(N)=O)c(F)c1)c1cccc(-n2ccnc2)c1 ZINC000176082845 509315174 /nfs/dbraw/zinc/31/51/74/509315174.db2.gz VORQTPOVHMLCCD-GFCCVEGCSA-N 0 0 367.384 2.993 10 0 FFAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2-c2nc(C)no2)C1 ZINC000172936101 509315396 /nfs/dbraw/zinc/31/53/96/509315396.db2.gz JWIDSANSSMMZSB-AWEZNQCLSA-N 0 0 356.426 2.566 10 0 FFAERN Cc1csc(NC(=O)C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)n1 ZINC000176085592 509316735 /nfs/dbraw/zinc/31/67/35/509316735.db2.gz SDLYYTZOYQDVME-LLVKDONJSA-N 0 0 350.469 2.561 10 0 FFAERN CC[C@H](CSc1ccccc1)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188907224 509318798 /nfs/dbraw/zinc/31/87/98/509318798.db2.gz SAVCBHWSCMBUOL-OAHLLOKOSA-N 0 0 361.511 2.867 10 0 FFAERN CC(C)n1nccc1NC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000176090717 509318867 /nfs/dbraw/zinc/31/88/67/509318867.db2.gz KDYHKKNWOUADBT-DLBZAZTESA-N 0 0 370.453 2.517 10 0 FFAERN COC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2cccc(Br)c2)C1 ZINC000172951685 509320350 /nfs/dbraw/zinc/32/03/50/509320350.db2.gz SLMOSJNXRJWZQZ-NWDGAFQWSA-N 0 0 370.243 2.628 10 0 FFAERN Cc1ccc(CNC(=O)NCC(=O)N[C@@H](C)COCc2ccccc2)cc1 ZINC000172952597 509321143 /nfs/dbraw/zinc/32/11/43/509321143.db2.gz MVXHOWILSISOQX-KRWDZBQOSA-N 0 0 369.465 2.516 10 0 FFAERN C[C@H](COCc1ccccc1)NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000172958021 509322619 /nfs/dbraw/zinc/32/26/19/509322619.db2.gz AANNSVOHBAVEAV-ZBFHGGJFSA-N 0 0 364.511 2.656 10 0 FFAERN C[C@@H]1CN(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)[C@@H]2CCCC[C@H]21 ZINC000248446188 509323304 /nfs/dbraw/zinc/32/33/04/509323304.db2.gz WPEVLIWDZLTFGV-XOKHGSTOSA-N 0 0 355.442 2.613 10 0 FFAERN O=C(Nc1cccc(-c2cccs2)c1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176102089 509324194 /nfs/dbraw/zinc/32/41/94/509324194.db2.gz UQOCARLNAXNDJY-AWEZNQCLSA-N 0 0 367.434 2.596 10 0 FFAERN C[C@H](COCc1ccccc1)NC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000172961189 509324894 /nfs/dbraw/zinc/32/48/94/509324894.db2.gz WQJOUWPOMDYHQR-ZBFHGGJFSA-N 0 0 358.404 2.982 10 0 FFAERN Cc1csc([C@@H](C)NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)n1 ZINC000172961343 509325077 /nfs/dbraw/zinc/32/50/77/509325077.db2.gz BCBDOHKRHFALQC-UKRRQHHQSA-N 0 0 358.467 2.719 10 0 FFAERN C[C@@H](COCc1ccccc1)NC(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000172963345 509326169 /nfs/dbraw/zinc/32/61/69/509326169.db2.gz TZTBOUPPUZRTMN-ZFWWWQNUSA-N 0 0 361.467 2.569 10 0 FFAERN COC(=O)c1c(F)cccc1NC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000179223348 509327278 /nfs/dbraw/zinc/32/72/78/509327278.db2.gz IOPPXZGDYQNAST-CYBMUJFWSA-N 0 0 360.389 2.986 10 0 FFAERN C[C@@H](COCc1ccccc1)NC(=O)CNC(=O)c1cccc(Cl)c1 ZINC000172969710 509329437 /nfs/dbraw/zinc/32/94/37/509329437.db2.gz QLBUVIQKAAGUEG-AWEZNQCLSA-N 0 0 360.841 2.791 10 0 FFAERN COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ncc(Br)s1 ZINC000179240101 509335253 /nfs/dbraw/zinc/33/52/53/509335253.db2.gz QMOVLSONNKXDNU-RKDXNWHRSA-N 0 0 372.292 2.829 10 0 FFAERN COc1ccc(C[C@H](C)C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cc1 ZINC000179252712 509340844 /nfs/dbraw/zinc/34/08/44/509340844.db2.gz BCYYSPJOAGSXBW-HOCLYGCPSA-N 0 0 356.470 2.720 10 0 FFAERN CC[C@@H]1CN(C(=O)N[C@H](c2ncccc2C)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000248499436 509344322 /nfs/dbraw/zinc/34/43/22/509344322.db2.gz SEGVJJXTSHDURZ-KURKYZTESA-N 0 0 362.518 2.574 10 0 FFAERN C[C@H](C[S@](C)=O)NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000248499400 509344752 /nfs/dbraw/zinc/34/47/52/509344752.db2.gz SDAHVBFONFMSTF-UZPXWBGZSA-N 0 0 374.510 2.733 10 0 FFAERN O=c1[nH]c2ccccc2cc1CNCc1nc(COc2ccccc2)n[nH]1 ZINC000185767352 509346072 /nfs/dbraw/zinc/34/60/72/509346072.db2.gz CIQTUJLFWGNCAU-UHFFFAOYSA-N 0 0 361.405 2.927 10 0 FFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(OC)cc1OC(C)C ZINC000188976222 509350258 /nfs/dbraw/zinc/35/02/58/509350258.db2.gz ZQGOYOASYLFVCH-HNNXBMFYSA-N 0 0 358.442 2.901 10 0 FFAERN O[C@H](COc1cccc(C(F)(F)F)c1)CN1CCCC[C@H]1c1nc[nH]n1 ZINC000248541881 509356477 /nfs/dbraw/zinc/35/64/77/509356477.db2.gz IJEOBDRYZIVZSP-ZFWWWQNUSA-N 0 0 370.375 2.790 10 0 FFAERN Cc1cc(N2C[C@H](C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)CC2=O)ccc1F ZINC000248555648 509362074 /nfs/dbraw/zinc/36/20/74/509362074.db2.gz LNAKDMOCTPETDO-XFQAVAEZSA-N 0 0 374.456 2.641 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1coc(-c2ccccc2)n1 ZINC000176179083 509364240 /nfs/dbraw/zinc/36/42/40/509364240.db2.gz SBGFVDMIPBMSQP-OAHLLOKOSA-N 0 0 366.425 2.830 10 0 FFAERN C[C@H]1CCN(C(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)C[C@H](C)C1 ZINC000163358536 509366555 /nfs/dbraw/zinc/36/65/55/509366555.db2.gz WFONNPHKKJNJIT-LSDHHAIUSA-N 0 0 367.449 2.518 10 0 FFAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccncc1C(F)(F)F ZINC000192144055 509368502 /nfs/dbraw/zinc/36/85/02/509368502.db2.gz OTUUTABWINTOMY-CYBMUJFWSA-N 0 0 370.352 2.749 10 0 FFAERN 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0 FFAERN O=C(c1cccc(N2CCCNC2=O)c1)N1CCC[C@@]2(CCCOC2)C1 ZINC000408321080 513044173 /nfs/dbraw/zinc/04/41/73/513044173.db2.gz QSARTMDGJNSAQY-HXUWFJFHSA-N 0 0 357.454 2.639 10 0 FFAERN C[C@@H]1CC[S@](=O)CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000408389335 513056336 /nfs/dbraw/zinc/05/63/36/513056336.db2.gz IVTPSPMEQOICOF-HOGDKLEQSA-N 0 0 356.296 2.525 10 0 FFAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000408396862 513058268 /nfs/dbraw/zinc/05/82/68/513058268.db2.gz RCOHOULVKGPIFD-ROUUACIJSA-N 0 0 365.518 2.670 10 0 FFAERN COc1cc(C)cc(C)c1S(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408403980 513060692 /nfs/dbraw/zinc/06/06/92/513060692.db2.gz WNTKWPOPGHJSKQ-MAUKXSAKSA-N 0 0 353.484 2.628 10 0 FFAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000408445866 513068697 /nfs/dbraw/zinc/06/86/97/513068697.db2.gz CRRWTLBPKZKXHK-KBPBESRZSA-N 0 0 357.462 2.549 10 0 FFAERN O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1ncc2c(F)cccn21 ZINC000528771554 516685683 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/nfs/dbraw/zinc/41/90/15/518419015.db2.gz BMIMQYKEXXJRNL-UHFFFAOYSA-N 0 0 355.829 2.761 10 0 FFAERN CC(C)(C)OC(=O)NCCNc1nc(Cl)nc(C(F)(F)F)c1N ZINC000032501126 518832919 /nfs/dbraw/zinc/83/29/19/518832919.db2.gz BYUWYHOEKPOPJN-UHFFFAOYSA-N 0 0 355.748 2.668 10 0 FFAERN CC[N@@H+]1CCC[C@H](Nc2c(C(=O)[O-])cnc3c(OC)cc(OC)cc32)C1 ZINC000565545859 519011606 /nfs/dbraw/zinc/01/16/06/519011606.db2.gz YEFAVNFOROKLQC-LBPRGKRZSA-N 0 0 359.426 2.846 10 0 FFAERN CC(C)c1cc(N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)nc(C(C)C)n1 ZINC000275354882 519833566 /nfs/dbraw/zinc/83/35/66/519833566.db2.gz AKBFEHOMEUPEJL-KDOFPFPSSA-N 0 0 356.474 2.889 10 0 FFAERN CC(C)(C)OC(=O)NCCN1CCOC[C@H](c2cnnc3ccccc32)C1 ZINC000616595363 520071808 /nfs/dbraw/zinc/07/18/08/520071808.db2.gz VUXBQKWFOUWQNE-OAHLLOKOSA-N 0 0 372.469 2.570 10 0 FFAERN O=S(=O)(c1ccccc1)N1CCO[C@H](c2ccc3nnccc3c2)CC1 ZINC000616595860 520073034 /nfs/dbraw/zinc/07/30/34/520073034.db2.gz WDVYGOBRWRGJQW-IBGZPJMESA-N 0 0 369.446 2.782 10 0 FFAERN 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O=C(c1cccs1)N1CCC[C@@H](c2n[nH]c(=O)n2-c2ccccc2)C1 ZINC000075874600 570619401 /nfs/dbraw/zinc/61/94/01/570619401.db2.gz HOMCDKPGJPXJNG-CYBMUJFWSA-N 0 0 354.435 2.642 10 0 FFAERN O=C(C=Cc1ccncc1)N1CCc2[nH]nc(COc3ccccc3)c2C1 ZINC000048233994 570937015 /nfs/dbraw/zinc/93/70/15/570937015.db2.gz SZCZHASREGLQBA-VOTSOKGWSA-N 0 0 360.417 2.982 10 0 FFAERN CCCC[C@H]1C(=O)N(C)CCN1C(=O)Nc1n[nH]c(-c2cccc(C)c2)n1 ZINC000048482699 570956012 /nfs/dbraw/zinc/95/60/12/570956012.db2.gz MFAKHLHXZBQHIY-HNNXBMFYSA-N 0 0 370.457 2.645 10 0 FFAERN C[C@@H](OC(=O)C[C@@H]1COC(=O)C1)c1ccc(I)cc1 ZINC000152893599 728767982 /nfs/dbraw/zinc/76/79/82/728767982.db2.gz QOYVRXDKWMTPPH-NXEZZACHSA-N 0 0 374.174 2.849 10 0 FFAERN CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000154468422 728804964 /nfs/dbraw/zinc/80/49/64/728804964.db2.gz GDSGJTURSKGZRM-HUUCEWRRSA-N 0 0 356.507 2.985 10 0 FFAERN CN(CCC1CCOCC1)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000154562911 728807039 /nfs/dbraw/zinc/80/70/39/728807039.db2.gz 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CC(=O)Nc1cccc([C@H](C)NC(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000111813623 508125145 /nfs/dbraw/zinc/12/51/45/508125145.db2.gz ZIJPDGQHRGBDCQ-LRDDRELGSA-N 0 0 374.466 2.946 10 0 FFAERN Cc1cnn([C@H]2CCCN(C(=O)NCCN3CCc4sccc4C3)C2)c1 ZINC000111837800 508127613 /nfs/dbraw/zinc/12/76/13/508127613.db2.gz SRHQRHRFYRBBJD-KRWDZBQOSA-N 0 0 373.526 2.658 10 0 FFAERN CCOc1ccccc1CNC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000111837382 508127630 /nfs/dbraw/zinc/12/76/30/508127630.db2.gz GQBARABADNBEEJ-UHFFFAOYSA-N 0 0 374.510 2.878 10 0 FFAERN O=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111853447 508130065 /nfs/dbraw/zinc/13/00/65/508130065.db2.gz OQKYDIBEOCQHAZ-KRWDZBQOSA-N 0 0 374.872 2.679 10 0 FFAERN COCc1cc(NC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)ncn1 ZINC000093311353 508137684 /nfs/dbraw/zinc/13/76/84/508137684.db2.gz LZWAXYGIWYGGLR-CYBMUJFWSA-N 0 0 352.398 2.691 10 0 FFAERN CCc1noc([C@H](C)N2CCN(C(=O)Cc3cc(C)ccc3C)CC2)n1 ZINC000112035894 508145980 /nfs/dbraw/zinc/14/59/80/508145980.db2.gz 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ZINC000112125807 508153530 /nfs/dbraw/zinc/15/35/30/508153530.db2.gz UIYRQLDSZMRYLB-CYBMUJFWSA-N 0 0 364.833 2.786 10 0 FFAERN O=C1N[C@@H](c2cccc(OCc3ccccc3Cl)c2)N2CCOC[C@@H]12 ZINC000093884054 508158654 /nfs/dbraw/zinc/15/86/54/508158654.db2.gz PNTZDLPNSALCCE-ZWKOTPCHSA-N 0 0 358.825 2.748 10 0 FFAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000076097966 508158708 /nfs/dbraw/zinc/15/87/08/508158708.db2.gz KZVBETPEPSVNSX-RNCFNFMXSA-N 0 0 361.785 2.648 10 0 FFAERN C[C@@H]1CC(C(=O)N2CCN(c3ncnc4ccsc43)CC2)C[C@@H](C)O1 ZINC000094081752 508166873 /nfs/dbraw/zinc/16/68/73/508166873.db2.gz XHMXYLWZZMNPNY-CHWSQXEVSA-N 0 0 360.483 2.544 10 0 FFAERN CN(C)S(=O)(=O)[C@@H]1CCOC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000095074298 508172273 /nfs/dbraw/zinc/17/22/73/508172273.db2.gz FEDYKAZAXGCKJR-SMDDNHRTSA-N 0 0 352.283 2.832 10 0 FFAERN CNc1snc(C)c1C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112306910 508172916 /nfs/dbraw/zinc/17/29/16/508172916.db2.gz OGDNFJATLVEYJO-UHFFFAOYSA-N 0 0 364.496 2.543 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/nfs/dbraw/zinc/17/68/55/508176855.db2.gz OAACTGQWMPEXOG-HNNXBMFYSA-N 0 0 371.466 2.953 10 0 FFAERN C[C@@H](C(=O)NCc1ccccc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112351613 508177249 /nfs/dbraw/zinc/17/72/49/508177249.db2.gz XNUHHKDYDDIMBQ-INIZCTEOSA-N 0 0 371.506 2.601 10 0 FFAERN COc1ncccc1NC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112383774 508180223 /nfs/dbraw/zinc/18/02/23/508180223.db2.gz SXAMVJUGUOYRLT-UHFFFAOYSA-N 0 0 360.439 2.532 10 0 FFAERN CC(C)NC(=O)Nc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000081485542 508180723 /nfs/dbraw/zinc/18/07/23/508180723.db2.gz ZIPPYIPIPXBKNV-DOTOQJQBSA-N 0 0 362.474 2.567 10 0 FFAERN C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)c1nc(-c2cccc(F)c2)no1 ZINC000081500777 508183120 /nfs/dbraw/zinc/18/31/20/508183120.db2.gz GTTZGTJMOOKDOB-NJZAAPMLSA-N 0 0 362.405 2.787 10 0 FFAERN C[C@@H](NC(=O)N[C@@H](C)c1cccc(O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000112434998 508184998 /nfs/dbraw/zinc/18/49/98/508184998.db2.gz UIOPRVXBXJFMRZ-OLZOCXBDSA-N 0 0 362.451 2.917 10 0 FFAERN C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)N1CCSc2ccccc21 ZINC000081568385 508190788 /nfs/dbraw/zinc/19/07/88/508190788.db2.gz XFOBVXYBWWZWDT-ZDUSSCGKSA-N 0 0 350.484 2.787 10 0 FFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Br)ccc1F ZINC000081579679 508192833 /nfs/dbraw/zinc/19/28/33/508192833.db2.gz SPEFMVWHIWEEKR-GFCCVEGCSA-N 0 0 353.195 2.753 10 0 FFAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000081588917 508193840 /nfs/dbraw/zinc/19/38/40/508193840.db2.gz UODCHTCKNIIDIP-INIZCTEOSA-N 0 0 362.437 2.526 10 0 FFAERN CC(C)(C)OC(=O)N1CCC2(CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000095937494 508198667 /nfs/dbraw/zinc/19/86/67/508198667.db2.gz PEFXPQRKBQONEE-UHFFFAOYSA-N 0 0 358.438 2.963 10 0 FFAERN CCCCOc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1OCC ZINC000112647937 508205227 /nfs/dbraw/zinc/20/52/27/508205227.db2.gz QBAADWMYRMZJPS-OAHLLOKOSA-N 0 0 358.442 2.601 10 0 FFAERN COc1ccc2cc([C@H](C)C(=O)N[C@H]3CCc4ncnn4C3)ccc2c1 ZINC000112647699 508205296 /nfs/dbraw/zinc/20/52/96/508205296.db2.gz MFLZQACBBVASOI-GUYCJALGSA-N 0 0 350.422 2.675 10 0 FFAERN COCCOc1ccccc1C(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112663902 508206990 /nfs/dbraw/zinc/20/69/90/508206990.db2.gz CSSOPUHMYPFGGT-UHFFFAOYSA-N 0 0 357.454 2.767 10 0 FFAERN CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112744939 508219390 /nfs/dbraw/zinc/21/93/90/508219390.db2.gz CULQCTFBVQMIFS-NVXWUHKLSA-N 0 0 371.485 2.701 10 0 FFAERN COc1ccc(C(=O)CCCC(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000082980008 508229162 /nfs/dbraw/zinc/22/91/62/508229162.db2.gz OMFFQJVBABSDFP-INIZCTEOSA-N 0 0 356.426 2.599 10 0 FFAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)[S@@](=O)Cc1nccn1C(F)F ZINC000083061169 508235316 /nfs/dbraw/zinc/23/53/16/508235316.db2.gz LPFKEANXYIMXGI-KKVRKASNSA-N 0 0 355.410 2.793 10 0 FFAERN Cc1ncc(CN2CCN([C@@H](C)c3nc(-c4cccnc4)no3)CC2)s1 ZINC000112981112 508237026 /nfs/dbraw/zinc/23/70/26/508237026.db2.gz KGLIDBRDOPFKCP-ZDUSSCGKSA-N 0 0 370.482 2.775 10 0 FFAERN C[C@@H](NC(=O)C(=O)Nc1cccc(F)c1)c1cccc(-n2ccnc2)c1 ZINC000076661894 508238625 /nfs/dbraw/zinc/23/86/25/508238625.db2.gz JJKTVIOHRSHYRX-CYBMUJFWSA-N 0 0 352.369 2.827 10 0 FFAERN CN(C)c1ncc(Br)cc1C(=O)N[C@H]1COc2ccccc21 ZINC000113039496 508240939 /nfs/dbraw/zinc/24/09/39/508240939.db2.gz ZBJYOUZNECTQIA-ZDUSSCGKSA-N 0 0 362.227 2.774 10 0 FFAERN COc1c(C)cc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CO3)cc1C ZINC000101529882 508243087 /nfs/dbraw/zinc/24/30/87/508243087.db2.gz ZNGLHTXDACGFMV-UHFFFAOYSA-N 0 0 354.406 2.915 10 0 FFAERN CCC(C)(C)NC(=O)CNc1ccc(C(=O)N2CCSCC2)cc1C ZINC000101541953 508243916 /nfs/dbraw/zinc/24/39/16/508243916.db2.gz WMLNFXMCJCRSDC-UHFFFAOYSA-N 0 0 363.527 2.901 10 0 FFAERN Cc1noc(CCNC(=O)NCc2ccnc(OC3CCCCC3)c2)n1 ZINC000101609374 508250740 /nfs/dbraw/zinc/25/07/40/508250740.db2.gz JHBCYTCHUCSKHJ-UHFFFAOYSA-N 0 0 359.430 2.526 10 0 FFAERN CN1CC[C@H](C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)CC1=O ZINC000113219402 508251414 /nfs/dbraw/zinc/25/14/14/508251414.db2.gz JOPCRSZKOPDFAG-IRXDYDNUSA-N 0 0 366.465 2.651 10 0 FFAERN COc1ccc([C@H](C)NC(=O)c2ccc(C(=O)N(C)C)cc2)cc1OC ZINC000076789063 508253861 /nfs/dbraw/zinc/25/38/61/508253861.db2.gz HVOMSZMDSOJQBO-ZDUSSCGKSA-N 0 0 356.422 2.897 10 0 FFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C)N(C)c2ccccc2)C1 ZINC000101787374 508256833 /nfs/dbraw/zinc/25/68/33/508256833.db2.gz BVHWKBCCKUCECU-DLBZAZTESA-N 0 0 360.502 2.602 10 0 FFAERN COCC[C@@H](C)NC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000101782860 508256967 /nfs/dbraw/zinc/25/69/67/508256967.db2.gz LFSMINGSJRYGNS-GFCCVEGCSA-N 0 0 374.407 2.793 10 0 FFAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C)N2CCc3ccccc32)C1 ZINC000101794367 508257354 /nfs/dbraw/zinc/25/73/54/508257354.db2.gz PHVMKBOSDRMTNM-FUHWJXTLSA-N 0 0 372.513 2.528 10 0 FFAERN CCCCCc1ccc(NC(=O)C(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000083754958 508258133 /nfs/dbraw/zinc/25/81/33/508258133.db2.gz FWEUHOSHEHFODN-QGZVFWFLSA-N 0 0 369.469 2.909 10 0 FFAERN CC[N@H+](CCNC(=O)Cn1c2ccccc2nc1-c1cscn1)C1CC1 ZINC000101958883 508261597 /nfs/dbraw/zinc/26/15/97/508261597.db2.gz FDSWHEXRNWJDGM-UHFFFAOYSA-N 0 0 369.494 2.760 10 0 FFAERN O=C(CNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCc2ccccc21 ZINC000101946354 508261724 /nfs/dbraw/zinc/26/17/24/508261724.db2.gz GFSVJUBSKQAKIR-UONOGXRCSA-N 0 0 369.387 2.996 10 0 FFAERN COc1ccc(Br)cc1CNC(=O)NCc1cscn1 ZINC000102012399 508264837 /nfs/dbraw/zinc/26/48/37/508264837.db2.gz XAVAHXLCOUFRCK-UHFFFAOYSA-N 0 0 356.245 2.914 10 0 FFAERN Cc1csc(-c2ccc(NC(=O)C(=O)NCc3cscn3)cc2)n1 ZINC000102088608 508267194 /nfs/dbraw/zinc/26/71/94/508267194.db2.gz MERYGEBNOBCNRV-UHFFFAOYSA-N 0 0 358.448 2.830 10 0 FFAERN CCOc1ccnc(N2CCN(C(=O)Nc3cc(C)ccc3F)CC2)n1 ZINC000113527322 508270641 /nfs/dbraw/zinc/27/06/41/508270641.db2.gz KHEGEYCNHUXLNO-UHFFFAOYSA-N 0 0 359.405 2.677 10 0 FFAERN COc1ccccc1CC1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1 ZINC000102379003 508273674 /nfs/dbraw/zinc/27/36/74/508273674.db2.gz YDBACTPWTIGEKB-UHFFFAOYSA-N 0 0 358.482 2.735 10 0 FFAERN CCc1csc([C@H]2CCCN(C(=O)NCCC(=O)N[C@H](C)CC)C2)n1 ZINC000113599220 508275516 /nfs/dbraw/zinc/27/55/16/508275516.db2.gz UYGHGQCTIJCHQC-KGLIPLIRSA-N 0 0 366.531 2.899 10 0 FFAERN COC(=O)[C@H](C)CN(C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1)C1CC1 ZINC000102610749 508279151 /nfs/dbraw/zinc/27/91/51/508279151.db2.gz MAFDYGKVEVFJAW-OGHNNQOOSA-N 0 0 358.438 2.695 10 0 FFAERN Cc1ccc(OC[C@@H](O)CSc2nnc(-c3ccncc3)n2C)cc1 ZINC000102651196 508280594 /nfs/dbraw/zinc/28/05/94/508280594.db2.gz FLTJTTSOLUESEW-OAHLLOKOSA-N 0 0 356.451 2.718 10 0 FFAERN Cc1cc(NC(=O)[C@H](C)NC(=O)Nc2ccccc2)ccc1C(=O)N(C)C ZINC000077163121 508282091 /nfs/dbraw/zinc/28/20/91/508282091.db2.gz KJLMJZDLAYLBFB-AWEZNQCLSA-N 0 0 368.437 2.846 10 0 FFAERN COc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)cc1F ZINC000102699778 508282383 /nfs/dbraw/zinc/28/23/83/508282383.db2.gz HZMQNZSQRCYEJU-XEZPLFJOSA-N 0 0 365.449 2.889 10 0 FFAERN C[C@@H](Sc1cccc(Br)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000102716605 508282804 /nfs/dbraw/zinc/28/28/04/508282804.db2.gz JNENMKXHFQDQBD-SNVBAGLBSA-N 0 0 371.300 2.667 10 0 FFAERN CCC(=O)N1CSC[C@H]1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000102750181 508283857 /nfs/dbraw/zinc/28/38/57/508283857.db2.gz HFXCRYUUFMHHCB-AWEZNQCLSA-N 0 0 361.492 2.738 10 0 FFAERN Cc1cc(CCCC(=O)NCc2cccnc2-n2cncn2)c(C)s1 ZINC000084582642 508286128 /nfs/dbraw/zinc/28/61/28/508286128.db2.gz ILCYOBKUPHDSEO-UHFFFAOYSA-N 0 0 355.467 2.980 10 0 FFAERN CCc1csc([C@H]2CCCN(S(=O)(=O)C[C@@H]3CCCCO3)C2)n1 ZINC000113944622 508286958 /nfs/dbraw/zinc/28/69/58/508286958.db2.gz AIZXZIJXAGEYER-ZFWWWQNUSA-N 0 0 358.529 2.784 10 0 FFAERN CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccc(OC)n1 ZINC000103077530 508295580 /nfs/dbraw/zinc/29/55/80/508295580.db2.gz SWVKQIXIKSORMG-UHFFFAOYSA-N 0 0 352.394 2.605 10 0 FFAERN Cc1cccc(NC(=O)NC(=O)CN2CCCC[C@@H]2c2cn[nH]c2)c1C ZINC000114201204 508299345 /nfs/dbraw/zinc/29/93/45/508299345.db2.gz LXDUJUJOQWMPMI-QGZVFWFLSA-N 0 0 355.442 2.902 10 0 FFAERN Cc1nn(C)c(C)c1CCNC(=O)c1nnn(-c2ccccc2Cl)c1C ZINC000103378114 508309373 /nfs/dbraw/zinc/30/93/73/508309373.db2.gz KOZSMEARDDQJBP-UHFFFAOYSA-N 0 0 372.860 2.552 10 0 FFAERN Cc1cccc(-n2ccnc2S(=O)(=O)CC(=O)Nc2ccccc2F)c1 ZINC000103620919 508319457 /nfs/dbraw/zinc/31/94/57/508319457.db2.gz XBPPOAYNEOFVMQ-UHFFFAOYSA-N 0 0 373.409 2.732 10 0 FFAERN O=C(NCc1nc2ccccc2s1)c1ccc(-n2cnnn2)cc1Cl ZINC000103735164 508320720 /nfs/dbraw/zinc/32/07/20/508320720.db2.gz LDPILGAAYHFLMJ-UHFFFAOYSA-N 0 0 370.825 2.855 10 0 FFAERN O=C(Nc1ccccc1-n1cccn1)c1ccc(-n2cnnn2)cc1Cl ZINC000103756611 508321756 /nfs/dbraw/zinc/32/17/56/508321756.db2.gz LLJJJHYZJJZRFA-UHFFFAOYSA-N 0 0 365.784 2.754 10 0 FFAERN C[C@@H](CNC(=O)NC[C@@H](O)Cc1ccccc1)COCc1ccccc1 ZINC000103862901 508323430 /nfs/dbraw/zinc/32/34/30/508323430.db2.gz XDVRJGKGWXYKEZ-PXNSSMCTSA-N 0 0 356.466 2.742 10 0 FFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000114571068 508327270 /nfs/dbraw/zinc/32/72/70/508327270.db2.gz ATRJCETVWQBDOY-QGZVFWFLSA-N 0 0 365.441 2.987 10 0 FFAERN Cc1noc(CCNC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)n1 ZINC000104342499 508332594 /nfs/dbraw/zinc/33/25/94/508332594.db2.gz LLSYBPZZQGHRBY-UHFFFAOYSA-N 0 0 364.405 2.627 10 0 FFAERN CCCCOc1c(Cl)cc(C(=O)N2CCC[C@H]2C(=O)NC)cc1OC ZINC000104357018 508332676 /nfs/dbraw/zinc/33/26/76/508332676.db2.gz BJAIAGUAGDICEQ-AWEZNQCLSA-N 0 0 368.861 2.878 10 0 FFAERN CCCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2C(=O)NC)cc1OC ZINC000104357013 508332770 /nfs/dbraw/zinc/33/27/70/508332770.db2.gz BJAIAGUAGDICEQ-CQSZACIVSA-N 0 0 368.861 2.878 10 0 FFAERN C[C@@H](CNC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1)N1CCOCC1 ZINC000087035886 508333090 /nfs/dbraw/zinc/33/30/90/508333090.db2.gz FUWRMFHPTNGXHC-JXFKEZNVSA-N 0 0 371.456 2.935 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCCN(C)c1ccccc1 ZINC000087061338 508334609 /nfs/dbraw/zinc/33/46/09/508334609.db2.gz QBWUQRSTLWCGHU-QGZVFWFLSA-N 0 0 370.501 2.891 10 0 FFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCCc1nc(C)cs1 ZINC000087084550 508335549 /nfs/dbraw/zinc/33/55/49/508335549.db2.gz BIMRDENIJXDUOT-ZDUSSCGKSA-N 0 0 362.503 2.762 10 0 FFAERN CCCCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCn3nc(CC)nc32)C1(C)C ZINC000087132608 508338723 /nfs/dbraw/zinc/33/87/23/508338723.db2.gz RVFNEXHLLKSTJB-QLFBSQMISA-N 0 0 363.506 2.958 10 0 FFAERN CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)c1 ZINC000077648160 508345089 /nfs/dbraw/zinc/34/50/89/508345089.db2.gz CFSNHPVGXLSUJX-INIZCTEOSA-N 0 0 367.877 2.825 10 0 FFAERN CCc1ccc(C(C)(C)C(=O)[O-])cc1N1CCC([NH+]2CCOCC2)CC1 ZINC000114801720 508348450 /nfs/dbraw/zinc/34/84/50/508348450.db2.gz SYSVCEHKMGKGNA-UHFFFAOYSA-N 0 0 360.498 2.912 10 0 FFAERN O=C(Nc1ccc2c(c1)OCC(=O)N2)N1CCC[C@H](c2nccs2)C1 ZINC000114810931 508349723 /nfs/dbraw/zinc/34/97/23/508349723.db2.gz PYIYZQMSAVOIIV-NSHDSACASA-N 0 0 358.423 2.886 10 0 FFAERN CN(C)C(=O)c1ccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114821182 508350200 /nfs/dbraw/zinc/35/02/00/508350200.db2.gz JWTDXUNVZCXFDG-MRXNPFEDSA-N 0 0 372.494 2.934 10 0 FFAERN O=C(NC[C@@H](O)Cc1ccccc1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000104912065 508351525 /nfs/dbraw/zinc/35/15/25/508351525.db2.gz SSPRGTXJTFZXGH-KRWDZBQOSA-N 0 0 355.825 2.859 10 0 FFAERN Cc1ccc(C(=O)NCCNC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114831079 508351643 /nfs/dbraw/zinc/35/16/43/508351643.db2.gz FVZWBBWHKZSBLK-INIZCTEOSA-N 0 0 372.494 2.771 10 0 FFAERN O=C(NCCn1c(=O)oc2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000114830190 508351880 /nfs/dbraw/zinc/35/18/80/508351880.db2.gz DQNIPUSEVNHCHW-CYBMUJFWSA-N 0 0 372.450 2.640 10 0 FFAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1cc(Br)ccc1Cl ZINC000114855548 508354690 /nfs/dbraw/zinc/35/46/90/508354690.db2.gz POTSGEKAFRQSRJ-GFCCVEGCSA-N 0 0 373.678 2.696 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1cc(C)ccc1C(C)C)CC2 ZINC000114863504 508355036 /nfs/dbraw/zinc/35/50/36/508355036.db2.gz JQKQFPCCPVCZIA-OAHLLOKOSA-N 0 0 356.470 2.782 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)CC2 ZINC000114865899 508355376 /nfs/dbraw/zinc/35/53/76/508355376.db2.gz JGHSKKAYFNBPLE-CYBMUJFWSA-N 0 0 362.861 2.783 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)CC2 ZINC000114865602 508355477 /nfs/dbraw/zinc/35/54/77/508355477.db2.gz FJFITLCVJROSKQ-QWHCGFSZSA-N 0 0 362.861 2.701 10 0 FFAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)CC2 ZINC000114870526 508355834 /nfs/dbraw/zinc/35/58/34/508355834.db2.gz ANCMBBQBWRVIFT-TZMCWYRMSA-N 0 0 362.861 2.701 10 0 FFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cn(-c2ccccc2)nc1C ZINC000088197161 508356209 /nfs/dbraw/zinc/35/62/09/508356209.db2.gz ORLYSQUXZWYCLS-INIZCTEOSA-N 0 0 350.426 2.600 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2cc(OC)ccc2n1 ZINC000088197306 508356372 /nfs/dbraw/zinc/35/63/72/508356372.db2.gz SMGWNDFPRCZMAA-OAHLLOKOSA-N 0 0 351.410 2.662 10 0 FFAERN Cc1nc(CN2CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)oc1C ZINC000114914699 508358211 /nfs/dbraw/zinc/35/82/11/508358211.db2.gz ZKXVNGCBNNOURN-UHFFFAOYSA-N 0 0 372.513 2.943 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)CC2 ZINC000114975995 508363462 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/nfs/dbraw/zinc/24/31/02/250243102.db2.gz NJOMCJGOJSHYEA-MRXNPFEDSA-N 0 0 371.485 2.530 10 0 FFAERN Cn1cc(CN2CCCN(Cc3csc(-c4ccccn4)n3)CC2)cn1 ZINC000106155447 250244680 /nfs/dbraw/zinc/24/46/80/250244680.db2.gz QEOHQFJGYKDRMV-UHFFFAOYSA-N 0 0 368.510 2.647 10 0 FFAERN CCc1c(C(=O)CN2CCC(Cc3nccn3C)CC2)[nH]c(C)c1C(C)=O ZINC000106162823 250245334 /nfs/dbraw/zinc/24/53/34/250245334.db2.gz CZYDMTIGIAFJPA-UHFFFAOYSA-N 0 0 370.497 2.959 10 0 FFAERN CN(CC(=O)Nc1ccccc1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106162184 250246036 /nfs/dbraw/zinc/24/60/36/250246036.db2.gz SKQSGPJYDYFHHO-QGZVFWFLSA-N 0 0 359.495 2.692 10 0 FFAERN CN(Cc1nc(C(C)(C)C)no1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161047 250246538 /nfs/dbraw/zinc/24/65/38/250246538.db2.gz WCGSMBTVUXOYPB-AWEZNQCLSA-N 0 0 364.515 2.934 10 0 FFAERN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000106072833 250230106 /nfs/dbraw/zinc/23/01/06/250230106.db2.gz NJOCAFHMCCXTII-GOSISDBHSA-N 0 0 367.497 2.941 10 0 FFAERN Cc1ccc(N2CCCN([C@@H](C)C(=O)Nc3c(C)cccc3C)CC2)nn1 ZINC000106072671 250230112 /nfs/dbraw/zinc/23/01/12/250230112.db2.gz VRBVNCWHLMTFQP-SFHVURJKSA-N 0 0 367.497 2.941 10 0 FFAERN Cc1ccc(CNC(=O)CN2CCc3c(nc(C(C)C)n3C)C2)cc1F ZINC000106372810 250265180 /nfs/dbraw/zinc/26/51/80/250265180.db2.gz UGUPTLGHHWSUSQ-UHFFFAOYSA-N 0 0 358.461 2.666 10 0 FFAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000106367773 250266496 /nfs/dbraw/zinc/26/64/96/250266496.db2.gz HBYDBDNSPIJDMM-JTQLQIEISA-N 0 0 360.892 2.581 10 0 FFAERN COc1ccc(NC(=O)[C@H](C)N2CCc3c(nc(C(C)C)n3C)C2)cc1 ZINC000106373781 250267624 /nfs/dbraw/zinc/26/76/24/250267624.db2.gz HDCGIWIWEZWRTF-AWEZNQCLSA-N 0 0 356.470 2.937 10 0 FFAERN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCO[C@H](Cn2cccn2)C1 ZINC000106191671 250253093 /nfs/dbraw/zinc/25/30/93/250253093.db2.gz RMRZVNWHEHDCNF-GJZGRUSLSA-N 0 0 362.861 2.573 10 0 FFAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)Nc1c(Cl)cccc1Cl ZINC000106193067 250253570 /nfs/dbraw/zinc/25/35/70/250253570.db2.gz 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250259482 /nfs/dbraw/zinc/25/94/82/250259482.db2.gz FTKFFGMRNCZWJN-FQEVSTJZSA-N 0 0 370.497 2.681 10 0 FFAERN CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000106218093 250260380 /nfs/dbraw/zinc/26/03/80/250260380.db2.gz RPEGKKGJBVOYQV-FUHWJXTLSA-N 0 0 371.485 2.581 10 0 FFAERN CCOc1ccc(CNC(=O)C(=O)Nc2ccccc2COC)cc1F ZINC000106348600 250263121 /nfs/dbraw/zinc/26/31/21/250263121.db2.gz IWMYPRNXDGCQCK-UHFFFAOYSA-N 0 0 360.385 2.626 10 0 FFAERN Cc1cnn([C@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)C3CCCC3)C2)c1 ZINC000106774556 250289122 /nfs/dbraw/zinc/28/91/22/250289122.db2.gz RFSCTEDRWDVDKQ-ZWKOTPCHSA-N 0 0 358.486 2.536 10 0 FFAERN O=C(NCCCN1CCCC1=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000106944817 250301523 /nfs/dbraw/zinc/30/15/23/250301523.db2.gz VLFILBIZLSINCN-UHFFFAOYSA-N 0 0 370.331 2.981 10 0 FFAERN O=C(c1ccc(-c2ncon2)cc1)N1CCN(CCc2ccccc2)CC1 ZINC000107095346 250305374 /nfs/dbraw/zinc/30/53/74/250305374.db2.gz YMXWOQQVZPPOHU-UHFFFAOYSA-N 0 0 362.433 2.737 10 0 FFAERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)o1 ZINC000107219097 250309564 /nfs/dbraw/zinc/30/95/64/250309564.db2.gz NJWUWYYSIJWCEH-HIFRSBDPSA-N 0 0 370.405 2.590 10 0 FFAERN CCOc1ccc(NC(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)cc1 ZINC000111700329 250314993 /nfs/dbraw/zinc/31/49/93/250314993.db2.gz OYVWRTLOGINTSN-CYBMUJFWSA-N 0 0 359.430 2.687 10 0 FFAERN CCCOc1cc(C)ccc1NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111729419 250316437 /nfs/dbraw/zinc/31/64/37/250316437.db2.gz NJVMDIQXVZWLQQ-INIZCTEOSA-N 0 0 358.442 2.913 10 0 FFAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Nc3ccc(N(C)C)c(C)c3)CCO2)n1 ZINC000111722859 250316860 /nfs/dbraw/zinc/31/68/60/250316860.db2.gz XQZFJXPTBBYWPD-SFHVURJKSA-N 0 0 371.485 2.807 10 0 FFAERN CC(C)COc1cccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111728758 250317453 /nfs/dbraw/zinc/31/74/53/250317453.db2.gz LLIZBHWZYLMVQM-GOSISDBHSA-N 0 0 358.442 2.851 10 0 FFAERN COc1ccc(OCCC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000116836441 250318899 /nfs/dbraw/zinc/31/88/99/250318899.db2.gz 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ZINC000117819962 250364089 /nfs/dbraw/zinc/36/40/89/250364089.db2.gz IDDZROGSJKEYTR-UHFFFAOYSA-N 0 0 360.845 2.638 10 0 FFAERN Cc1c(CS(C)(=O)=O)cccc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000117016933 250329255 /nfs/dbraw/zinc/32/92/55/250329255.db2.gz UJOLALDANKXWPE-MRXNPFEDSA-N 0 0 360.435 2.795 10 0 FFAERN COCC[S@](=O)Cc1cccc(NC(=O)N[C@H]2COc3ccccc32)c1 ZINC000117020321 250331272 /nfs/dbraw/zinc/33/12/72/250331272.db2.gz FOCMHJIHOPMAEU-MRDQGFSESA-N 0 0 374.462 2.837 10 0 FFAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NC[C@@H](C)Oc3ccccc3)C2)n1 ZINC000117050777 250331812 /nfs/dbraw/zinc/33/18/12/250331812.db2.gz DJTJXHOPUOXOIG-CRAIPNDOSA-N 0 0 371.485 2.784 10 0 FFAERN COCCN1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC000117294714 250340902 /nfs/dbraw/zinc/34/09/02/250340902.db2.gz DAOSZRHGYVAERT-QGZVFWFLSA-N 0 0 371.481 2.843 10 0 FFAERN O=C(c1ccc(F)c(F)c1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000118687970 250396662 /nfs/dbraw/zinc/39/66/62/250396662.db2.gz DKKRBPKMIFZVEK-UHFFFAOYSA-N 0 0 362.380 2.573 10 0 FFAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccccc2SC(F)(F)F)c1 ZINC000118133239 250375519 /nfs/dbraw/zinc/37/55/19/250375519.db2.gz HGXRSVAMGCTWGZ-UHFFFAOYSA-N 0 0 372.372 2.558 10 0 FFAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)C(=O)Nc3cnccc3C)C2)cc1 ZINC000119126498 250436282 /nfs/dbraw/zinc/43/62/82/250436282.db2.gz XTKGCMBEHQHCGN-ZBFHGGJFSA-N 0 0 353.422 2.742 10 0 FFAERN Cc1csc(CCCCNC(=O)N[C@@H](C)c2nnc3n2CCCC3)n1 ZINC000120015509 250535540 /nfs/dbraw/zinc/53/55/40/250535540.db2.gz CCQZJLJCDFXADC-ZDUSSCGKSA-N 0 0 362.503 2.762 10 0 FFAERN Cc1csc(N2CCC(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)CC2)n1 ZINC000120237484 250564311 /nfs/dbraw/zinc/56/43/11/250564311.db2.gz MBJQMLSIHKNWGB-APWZRJJASA-N 0 0 363.527 2.822 10 0 FFAERN COc1cc(CCNC(=O)N2CCO[C@@H](c3nccs3)C2)ccc1C ZINC000120661556 250612781 /nfs/dbraw/zinc/61/27/81/250612781.db2.gz YINBGCDRAXBINJ-MRXNPFEDSA-N 0 0 361.467 2.786 10 0 FFAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCc3c(Cl)cccc3C1)CC2 ZINC000120518629 250596478 /nfs/dbraw/zinc/59/64/78/250596478.db2.gz DXAOPLSXGFWZJQ-ZDUSSCGKSA-N 0 0 359.861 2.577 10 0 FFAERN C[C@H](Cc1ccccc1F)C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000121042263 250656073 /nfs/dbraw/zinc/65/60/73/250656073.db2.gz HVXNQPUKHCFVQX-NVXWUHKLSA-N 0 0 356.445 2.922 10 0 FFAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)Oc1ccc(C)cc1 ZINC000121257530 250681299 /nfs/dbraw/zinc/68/12/99/250681299.db2.gz XBVWKFTVLWCYMB-HOCLYGCPSA-N 0 0 357.458 2.751 10 0 FFAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(CNC(N)=O)cc3)C2)cc1 ZINC000121311325 250686453 /nfs/dbraw/zinc/68/64/53/250686453.db2.gz KMDOUJWLIFDKTB-KDOFPFPSSA-N 0 0 367.449 2.882 10 0 FFAERN O=C(c1cnn2c1CCCC2)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000128252973 250740450 /nfs/dbraw/zinc/74/04/50/250740450.db2.gz NBUZRHDEPKBRLR-INIZCTEOSA-N 0 0 354.458 2.515 10 0 FFAERN O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129936488 250870511 /nfs/dbraw/zinc/87/05/11/250870511.db2.gz JCUVAVKZMHPPHS-GDBMZVCRSA-N 0 0 363.479 2.764 10 0 FFAERN C[C@@H](CO[C@@H]1CCOC1)NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000130842668 250939787 /nfs/dbraw/zinc/93/97/87/250939787.db2.gz MAZLUCMQRYTNGP-GOEBONIOSA-N 0 0 365.449 2.606 10 0 FFAERN Cc1cccc2[nH]c(CCC(=O)N[C@H](C)c3nnc4n3CCCC4)nc21 ZINC000131618504 251005583 /nfs/dbraw/zinc/00/55/83/251005583.db2.gz CGMJCBSKFVCEDU-CYBMUJFWSA-N 0 0 352.442 2.609 10 0 FFAERN O=C(N[C@H]1CCCn2ncnc21)c1cc(Cl)cc(Br)c1 ZINC000131775976 251018985 /nfs/dbraw/zinc/01/89/85/251018985.db2.gz VOYBLOHWZTUCRP-NSHDSACASA-N 0 0 355.623 2.959 10 0 FFAERN CCN(CCc1nccs1)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000131820687 251022619 /nfs/dbraw/zinc/02/26/19/251022619.db2.gz QHQBGVHPMFTECV-ZDUSSCGKSA-N 0 0 353.488 2.791 10 0 FFAERN CCc1nc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cs1 ZINC000131845937 251023645 /nfs/dbraw/zinc/02/36/45/251023645.db2.gz YMGDQIWVHRVNSQ-RHSMWYFYSA-N 0 0 361.442 2.680 10 0 FFAERN CC(C)(C)OC(=O)N(CC(=O)N[C@@H]1CCCn2ncnc21)c1ccccc1 ZINC000132071330 251043139 /nfs/dbraw/zinc/04/31/39/251043139.db2.gz ZAYORXUZNUCORX-OAHLLOKOSA-N 0 0 371.441 2.671 10 0 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ZINC000163251882 251180468 /nfs/dbraw/zinc/18/04/68/251180468.db2.gz YQQNIKYZEYHSMW-YGRLFVJLSA-N 0 0 356.875 2.998 10 0 FFAERN COC(=O)[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1C ZINC000163272242 251180834 /nfs/dbraw/zinc/18/08/34/251180834.db2.gz CSILMDVGKBEBDE-KDOFPFPSSA-N 0 0 361.463 2.963 10 0 FFAERN Cc1nccn1C[C@H]1CCCN1Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000163169887 251175876 /nfs/dbraw/zinc/17/58/76/251175876.db2.gz RHXZZOIZGCTVIA-CQSZACIVSA-N 0 0 357.483 2.771 10 0 FFAERN CCc1ccc([C@H]2CCCCN2C(=O)NCCCN2C(=O)CCC2=O)o1 ZINC000173493476 251192079 /nfs/dbraw/zinc/19/20/79/251192079.db2.gz KBURXVUQLAERIC-OAHLLOKOSA-N 0 0 361.442 2.618 10 0 FFAERN Cc1nnc([C@@H]2CN(C(=O)CCc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000173515985 251197015 /nfs/dbraw/zinc/19/70/15/251197015.db2.gz GFTKVHTYZAQQKD-AWEZNQCLSA-N 0 0 369.252 2.953 10 0 FFAERN COc1ccc(NC(=O)C(=O)N[C@@H](C)COCc2ccccc2)c(C)c1 ZINC000173529394 251200321 /nfs/dbraw/zinc/20/03/21/251200321.db2.gz PYCGVIFOODFDFT-HNNXBMFYSA-N 0 0 356.422 2.664 10 0 FFAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCC2(CS(C)(=O)=O)CC2)o1 ZINC000175498043 251218503 /nfs/dbraw/zinc/21/85/03/251218503.db2.gz PBKXLKWHUGBPNH-AWEZNQCLSA-N 0 0 354.472 2.649 10 0 FFAERN CCc1nnc([C@H]2CN(C(=O)Cc3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000173555564 251205756 /nfs/dbraw/zinc/20/57/56/251205756.db2.gz VTMNMGUFFKGORL-CYBMUJFWSA-N 0 0 369.252 2.817 10 0 FFAERN CCc1nnc([C@H]2CN(C(=O)c3cc(Cl)cc4cccnc43)CCO2)[nH]1 ZINC000173557288 251206270 /nfs/dbraw/zinc/20/62/70/251206270.db2.gz MJMCDZQIAAEKKR-CQSZACIVSA-N 0 0 371.828 2.782 10 0 FFAERN CCc1nnc([C@@H]2CN(C(=O)[C@H](Cc3ccccc3)C(C)C)CCO2)[nH]1 ZINC000173555959 251206401 /nfs/dbraw/zinc/20/64/01/251206401.db2.gz XMTGYULJYJXLCR-SJORKVTESA-N 0 0 356.470 2.782 10 0 FFAERN COC[C@H](C)C(=O)Nc1cccc(N(CC2CC2)C(=O)[C@@H](C)COC)c1 ZINC000175532674 251223368 /nfs/dbraw/zinc/22/33/68/251223368.db2.gz QHTMUNQIZCMIQU-GJZGRUSLSA-N 0 0 362.470 2.933 10 0 FFAERN CCO[C@@H](C(=O)N1CCC(c2nc(N(C)C)no2)CC1)c1ccccc1 ZINC000186753624 251258352 /nfs/dbraw/zinc/25/83/52/251258352.db2.gz PGWPTDFBBHQCHH-MRXNPFEDSA-N 0 0 358.442 2.619 10 0 FFAERN CN(C)c1noc(C2CCN(C(=O)C[C@@H]3OCCc4ccccc43)CC2)n1 ZINC000186779954 251261019 /nfs/dbraw/zinc/26/10/19/251261019.db2.gz HPDCBTZWIQRACF-KRWDZBQOSA-N 0 0 370.453 2.546 10 0 FFAERN CCc1nnc([C@H]2CN(C(=O)[C@@H](C)CCCc3ccccc3)CCO2)[nH]1 ZINC000181118865 251244675 /nfs/dbraw/zinc/24/46/75/251244675.db2.gz HXHVJASEAVRFSH-DOTOQJQBSA-N 0 0 356.470 2.926 10 0 FFAERN CC[C@H](CSC)NC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000181143234 251246183 /nfs/dbraw/zinc/24/61/83/251246183.db2.gz QWZSKGAFBAZYSA-IAQYHMDHSA-N 0 0 358.454 2.977 10 0 FFAERN O=C(COc1ccc(Br)cc1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181191128 251256057 /nfs/dbraw/zinc/25/60/57/251256057.db2.gz IROHCPRUFYHEER-CYBMUJFWSA-N 0 0 365.231 2.700 10 0 FFAERN CC(C)c1nnc2n1CCN(C(=O)c1cc(N3CCCC3)ccn1)[C@@H]2C ZINC000192621180 251296092 /nfs/dbraw/zinc/29/60/92/251296092.db2.gz QFPZPMUXXGLFDU-CQSZACIVSA-N 0 0 354.458 2.614 10 0 FFAERN Cc1c(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)nnn1Cc1ccc(F)cc1 ZINC000192573077 251289033 /nfs/dbraw/zinc/28/90/33/251289033.db2.gz WSZSXWNQMBNDRM-QGZVFWFLSA-N 0 0 368.416 2.864 10 0 FFAERN CCn1cc(C2CCN(CCS(=O)(=O)c3ccc(F)cc3)CC2)cn1 ZINC000192562757 251289586 /nfs/dbraw/zinc/28/95/86/251289586.db2.gz CNBASWKTSMAOJD-UHFFFAOYSA-N 0 0 365.474 2.695 10 0 FFAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2CCCc3cccnc32)CC1 ZINC000192562865 251289710 /nfs/dbraw/zinc/28/97/10/251289710.db2.gz YYBAJMSNHHBMGE-MRXNPFEDSA-N 0 0 369.490 2.938 10 0 FFAERN Cc1csc2c1ncnc2N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000192570848 251290190 /nfs/dbraw/zinc/29/01/90/251290190.db2.gz GDAVVKLDEDZGQW-UHFFFAOYSA-N 0 0 370.482 2.972 10 0 FFAERN C[C@H](Oc1cccc2ccccc21)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000192606778 251293462 /nfs/dbraw/zinc/29/34/62/251293462.db2.gz PKKWOJMSANZTBH-WMZOPIPTSA-N 0 0 354.450 2.540 10 0 FFAERN CCC(CC)[C@H]1C[C@@H](NC(=O)N2CCN(c3cc(C)[nH]n3)CC2)CCO1 ZINC000186827856 251271542 /nfs/dbraw/zinc/27/15/42/251271542.db2.gz 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ZINC000252656843 251311492 /nfs/dbraw/zinc/31/14/92/251311492.db2.gz WFWOXOCJRHBMHY-CHWSQXEVSA-N 0 0 355.485 2.586 10 0 FFAERN COc1ccc(N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1NS(C)(=O)=O ZINC000252734107 251312550 /nfs/dbraw/zinc/31/25/50/251312550.db2.gz SIMTVUGNGCUVDM-DAXOMENPSA-N 0 0 354.472 2.682 10 0 FFAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H]1[C@@H]3CCc4ccccc4[C@@H]31)CC2 ZINC000253188447 251314976 /nfs/dbraw/zinc/31/49/76/251314976.db2.gz GDEFQRZZFGPUJJ-UJMXGEILSA-N 0 0 370.493 2.676 10 0 FFAERN C[C@H](C[S@@](C)=O)NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000253005514 251315466 /nfs/dbraw/zinc/31/54/66/251315466.db2.gz DMRRODCDCORRGR-CTZXUXIISA-N 0 0 371.458 2.638 10 0 FFAERN C[C@H]1C(=O)Nc2cc(C(=O)N3CCCC[C@@H]3c3cn[nH]c3)ccc2N1C ZINC000267377308 251338263 /nfs/dbraw/zinc/33/82/63/251338263.db2.gz JXVSLUTYPYZEMF-BLLLJJGKSA-N 0 0 353.426 2.554 10 0 FFAERN Nc1ccc(Cl)cc1NC(=O)CCn1cc(Br)ccc1=O ZINC000021499929 220358665 /nfs/dbraw/zinc/35/86/65/220358665.db2.gz 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/nfs/dbraw/zinc/84/44/09/220844409.db2.gz ZAIRELHKXOSTAH-UHFFFAOYSA-N 0 0 359.270 2.830 10 0 FFAERN O=S(=O)(c1ccc(Br)s1)N(CCO)C1CCCCC1 ZINC000042303413 220937124 /nfs/dbraw/zinc/93/71/24/220937124.db2.gz NDSWVTUFJBPSCN-UHFFFAOYSA-N 0 0 368.318 2.826 10 0 FFAERN CC(C)CNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC000046900603 220985852 /nfs/dbraw/zinc/98/58/52/220985852.db2.gz VXWKJSAXSUKYPJ-HXUWFJFHSA-N 0 0 357.454 2.538 10 0 FFAERN CCCNc1ncc(Br)cc1S(=O)(=O)NCC(C)C ZINC000050637742 221031910 /nfs/dbraw/zinc/03/19/10/221031910.db2.gz VMOIVZASOQZSCL-UHFFFAOYSA-N 0 0 350.282 2.600 10 0 FFAERN CCC[C@@H](C)NS(=O)(=O)c1cc(Br)cnc1NCC ZINC000050632844 221032784 /nfs/dbraw/zinc/03/27/84/221032784.db2.gz MQPWYOZELLOHTE-SECBINFHSA-N 0 0 350.282 2.743 10 0 FFAERN O=C(CN1CCO[C@@H]2CCCC[C@@H]21)Nc1ccnn1Cc1cccs1 ZINC000051996519 221036958 /nfs/dbraw/zinc/03/69/58/221036958.db2.gz GLWMPRKQGWEZBW-JKSUJKDBSA-N 0 0 360.483 2.575 10 0 FFAERN Cc1cccc(OC[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c1 ZINC000053184981 221043602 /nfs/dbraw/zinc/04/36/02/221043602.db2.gz BYBKNZRZRHACDG-RDJZCZTQSA-N 0 0 356.422 2.776 10 0 FFAERN COc1cccc(C(=O)N2CCCN(C(=O)c3ccccc3OC)CC2)c1 ZINC000055699513 221073676 /nfs/dbraw/zinc/07/36/76/221073676.db2.gz RRLDWJLDZFXNAZ-UHFFFAOYSA-N 0 0 368.433 2.692 10 0 FFAERN CC[C@@H](C(=O)NC(C)C)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970915 221159473 /nfs/dbraw/zinc/15/94/73/221159473.db2.gz BNEUGWYHZFTSRT-INIZCTEOSA-N 0 0 367.453 2.675 10 0 FFAERN CCN(CC[NH+](C)C)c1ncc(NC(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000064978674 221160540 /nfs/dbraw/zinc/16/05/40/221160540.db2.gz JIILEMLQBWCLSN-UHFFFAOYSA-N 0 0 374.416 2.559 10 0 FFAERN C[C@@H]1C[C@H](C(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)CC(C)(C)C1 ZINC000276826808 256134515 /nfs/dbraw/zinc/13/45/15/256134515.db2.gz XVTZUYZUSUPVRA-HLLBOEOZSA-N 0 0 360.502 2.905 10 0 FFAERN COc1ccc(C(=O)Nc2nccnc2C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000065228643 221182192 /nfs/dbraw/zinc/18/21/92/221182192.db2.gz PDJWYRWEUYLZCI-CYBMUJFWSA-N 0 0 354.410 2.610 10 0 FFAERN Cc1noc(-c2ccnc(-n3ncc(C(=O)N4CCC[C@H](C)C4)c3C)c2)n1 ZINC000065251236 221187756 /nfs/dbraw/zinc/18/77/56/221187756.db2.gz VOERHFHZXCYCOA-LBPRGKRZSA-N 0 0 366.425 2.806 10 0 FFAERN Cc1c(C(=O)NCC2CC2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000065251509 221187778 /nfs/dbraw/zinc/18/77/78/221187778.db2.gz USSOBWYFVJNXQI-UHFFFAOYSA-N 0 0 364.409 2.643 10 0 FFAERN Cn1cc(Cl)c(CN2CCn3nc(C(=O)Nc4ccccc4)cc3C2)n1 ZINC000065465577 221223481 /nfs/dbraw/zinc/22/34/81/221223481.db2.gz NIHYTWMPHGPALT-UHFFFAOYSA-N 0 0 370.844 2.538 10 0 FFAERN CC[C@H]1c2cccn2CCN1C(=O)c1cc2n(n1)CCCN(C(C)C)C2 ZINC000065528657 221231460 /nfs/dbraw/zinc/23/14/60/221231460.db2.gz YLPCHAJOBHWOAE-SFHVURJKSA-N 0 0 355.486 2.906 10 0 FFAERN CCn1ncc(CN(C)C(=O)c2cc(COc3ccccc3)[nH]n2)c1C ZINC000067714264 221275178 /nfs/dbraw/zinc/27/51/78/221275178.db2.gz DPCRBAKGWOZSLA-UHFFFAOYSA-N 0 0 353.426 2.786 10 0 FFAERN O=C([O-])C1(NC(=O)CCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000071244443 221337202 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CCCN(C[C@@H]1CCCCO1)C(=O)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000106972562 507832236 /nfs/dbraw/zinc/83/22/36/507832236.db2.gz MGUMIMMTKBUWHX-HNNXBMFYSA-N 0 0 359.426 2.882 10 0 FFAERN CCCN(C[C@H]1CCCCO1)C(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000106973191 507832460 /nfs/dbraw/zinc/83/24/60/507832460.db2.gz XGCAAOKSCSBRPG-MRXNPFEDSA-N 0 0 370.453 2.619 10 0 FFAERN COC(=O)[C@@H]1CCCCN1C(=O)CCc1cc(Br)cs1 ZINC000107105411 507835524 /nfs/dbraw/zinc/83/55/24/507835524.db2.gz HPKZZNJKDYSSKX-LBPRGKRZSA-N 0 0 360.273 2.997 10 0 FFAERN C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000107216811 507838275 /nfs/dbraw/zinc/83/82/75/507838275.db2.gz BYFWVUYGLSXYST-DFBGVHRSSA-N 0 0 357.281 2.934 10 0 FFAERN O=C(NCc1cccc(Cn2ccnc2)c1)c1ccc(-c2ncon2)cc1 ZINC000107216203 507838374 /nfs/dbraw/zinc/83/83/74/507838374.db2.gz WGJYDDDQNFTLDD-UHFFFAOYSA-N 0 0 359.389 2.911 10 0 FFAERN Cc1nnc([C@H](NC(=O)c2ccc(-c3ncon3)cc2)c2ccccc2)[nH]1 ZINC000107245711 507839212 /nfs/dbraw/zinc/83/92/12/507839212.db2.gz XNXIPLXCUXEWLF-MRXNPFEDSA-N 0 0 360.377 2.683 10 0 FFAERN CCc1nccn1[C@@H]1CCCN(C(=O)Cc2cc(OC)ccc2OC)C1 ZINC000107255072 507840307 /nfs/dbraw/zinc/84/03/07/507840307.db2.gz IVFKZKLZKDCJCZ-MRXNPFEDSA-N 0 0 357.454 2.869 10 0 FFAERN CCn1cnnc1C1CCN(C(=O)Cc2c[nH]c3ccc(OC)cc23)CC1 ZINC000107256043 507840581 /nfs/dbraw/zinc/84/05/81/507840581.db2.gz QMDIHNOBEHMQBW-UHFFFAOYSA-N 0 0 367.453 2.737 10 0 FFAERN COc1ccccc1/C(C)=C/C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000089542956 507845741 /nfs/dbraw/zinc/84/57/41/507845741.db2.gz PGRZTTRUPWWNRW-FOCLMDBBSA-N 0 0 369.465 2.694 10 0 FFAERN C[C@H](CC(=O)N1CCC(c2ccnn2CCO)CC1)c1ccccc1F ZINC000089543090 507845855 /nfs/dbraw/zinc/84/58/55/507845855.db2.gz HTIGBHJLMYHSEV-OAHLLOKOSA-N 0 0 359.445 2.914 10 0 FFAERN Cc1cc(C(=O)N2CCC(c3ccnn3CCO)CC2)c(C)n1C(C)C ZINC000089543599 507845910 /nfs/dbraw/zinc/84/59/10/507845910.db2.gz SSNUXFHESVHEHQ-UHFFFAOYSA-N 0 0 358.486 2.894 10 0 FFAERN CSc1ccsc1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000089542960 507845968 /nfs/dbraw/zinc/84/59/68/507845968.db2.gz LRLNBIKUMKBYGG-UHFFFAOYSA-N 0 0 351.497 2.679 10 0 FFAERN O=C(c1ccc(F)cc1Cl)N1CCC(c2ccnn2CCO)CC1 ZINC000089543156 507845998 /nfs/dbraw/zinc/84/59/98/507845998.db2.gz ANACHMFCQJSQGH-UHFFFAOYSA-N 0 0 351.809 2.688 10 0 FFAERN C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCN(Cc2ccon2)CC1 ZINC000072723278 507848115 /nfs/dbraw/zinc/84/81/15/507848115.db2.gz SFVJZWUYRZNSDF-WBVHZDCISA-N 0 0 374.510 2.606 10 0 FFAERN CN1CC[C@@H](NC(=O)NC2CCC(O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000089594339 507849207 /nfs/dbraw/zinc/84/92/07/507849207.db2.gz FWVBOBBCTPBBMG-BACDZXNISA-N 0 0 351.878 2.688 10 0 FFAERN C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)[C@H](C)N1CCOCC1 ZINC000107392180 507849570 /nfs/dbraw/zinc/84/95/70/507849570.db2.gz IURKWEXWLMIKKW-OLZOCXBDSA-N 0 0 357.857 2.730 10 0 FFAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000089625499 507851444 /nfs/dbraw/zinc/85/14/44/507851444.db2.gz FSYCHGNJYAMVPY-DOMZBBRYSA-N 0 0 362.813 2.731 10 0 FFAERN CCOC(=O)C[C@H](C)CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000089693927 507856895 /nfs/dbraw/zinc/85/68/95/507856895.db2.gz LLUMCXYFJPJJAV-GJZGRUSLSA-N 0 0 358.442 2.822 10 0 FFAERN CCc1nc(CNC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)cs1 ZINC000107615162 507859923 /nfs/dbraw/zinc/85/99/23/507859923.db2.gz DXGKRFBKWWJMLZ-LBPRGKRZSA-N 0 0 365.405 2.653 10 0 FFAERN CN1C(=O)C[C@@H](C(=O)N2CCN(C)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000089766228 507862985 /nfs/dbraw/zinc/86/29/85/507862985.db2.gz NBMUFIFJDPFMEF-OXQOHEQNSA-N 0 0 367.424 2.828 10 0 FFAERN CCOC(=O)CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000089802644 507868296 /nfs/dbraw/zinc/86/82/96/507868296.db2.gz XOCDCBHYNMWQJU-QAPCUYQASA-N 0 0 362.470 2.597 10 0 FFAERN CCCC(=O)NC[C@H]1CCCN(C(=O)NCc2csc(CC)n2)C1 ZINC000107855000 507870069 /nfs/dbraw/zinc/87/00/69/507870069.db2.gz HCXQCRPWMKPQSW-CYBMUJFWSA-N 0 0 352.504 2.543 10 0 FFAERN CC[C@H](C)n1ncc(C(=O)N[C@H]2CCCn3nc(COC)nc32)c1C1CC1 ZINC000089826605 507871366 /nfs/dbraw/zinc/87/13/66/507871366.db2.gz IFCFEXHPVLSWIX-WFASDCNBSA-N 0 0 372.473 2.734 10 0 FFAERN C[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)[C@@H]1CO ZINC000089854249 507875134 /nfs/dbraw/zinc/87/51/34/507875134.db2.gz FZFGGTKGNQBGHL-CXAGYDPISA-N 0 0 367.877 2.801 10 0 FFAERN COC(=O)Cn1ncc2c1ncnc2N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000078502723 507877794 /nfs/dbraw/zinc/87/77/94/507877794.db2.gz OYBOCPPQADJQJZ-BLLLJJGKSA-N 0 0 369.400 2.726 10 0 FFAERN NC(=O)c1ccc(NCC(=O)N2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000072987100 507881998 /nfs/dbraw/zinc/88/19/98/507881998.db2.gz IGEGHZSDPFQCST-LJQANCHMSA-N 0 0 351.450 2.821 10 0 FFAERN Cc1ccc(N2CCCN(C(=O)c3csc(-c4ccoc4)n3)CC2)nn1 ZINC000108278401 507884653 /nfs/dbraw/zinc/88/46/53/507884653.db2.gz DTTZUMQZWIWCBX-UHFFFAOYSA-N 0 0 369.450 2.854 10 0 FFAERN CCOc1ccnc(N2CCN(Cc3csc(-c4ccoc4)n3)CC2)n1 ZINC000108373263 507891156 /nfs/dbraw/zinc/89/11/56/507891156.db2.gz PPXXBHFRCWJCHK-UHFFFAOYSA-N 0 0 371.466 2.914 10 0 FFAERN COc1ccc(C(=O)N2CCC(NC(=O)c3cccc(OC)c3)CC2)cc1 ZINC000078807527 507909459 /nfs/dbraw/zinc/90/94/59/507909459.db2.gz YWPSKJDEKRBPNX-UHFFFAOYSA-N 0 0 368.433 2.738 10 0 FFAERN CC(=O)NCCCCCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000108690289 507912237 /nfs/dbraw/zinc/91/22/37/507912237.db2.gz NIYYLMYFODJQSZ-KRWDZBQOSA-N 0 0 352.862 2.936 10 0 FFAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccnc2ccnn21 ZINC000108718524 507914099 /nfs/dbraw/zinc/91/40/99/507914099.db2.gz JGIGIBSGNWVFKT-DYVFJYSZSA-N 0 0 351.410 2.513 10 0 FFAERN CCOC(=O)c1cnc2ccccc2c1N1CCO[C@@H](Cn2cccn2)C1 ZINC000108949548 507927696 /nfs/dbraw/zinc/92/76/96/507927696.db2.gz LWLNHVIZWWAXCL-OAHLLOKOSA-N 0 0 366.421 2.513 10 0 FFAERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 ZINC000108951383 507927972 /nfs/dbraw/zinc/92/79/72/507927972.db2.gz GERRTTNNDTVWPM-CQSZACIVSA-N 0 0 369.473 2.566 10 0 FFAERN Cc1noc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)n1 ZINC000108969049 507928898 /nfs/dbraw/zinc/92/88/98/507928898.db2.gz KDGWOPZUXHTLOD-UHFFFAOYSA-N 0 0 364.818 2.558 10 0 FFAERN CCN(C(=O)Cn1c2ccccc2[nH]c1=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000108999245 507930842 /nfs/dbraw/zinc/93/08/42/507930842.db2.gz ANFKVIVGGRYWNJ-HNNXBMFYSA-N 0 0 367.449 2.818 10 0 FFAERN CNC(=O)c1ccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000109004697 507931418 /nfs/dbraw/zinc/93/14/18/507931418.db2.gz INDIYANLHBRZCT-KRWDZBQOSA-N 0 0 353.470 2.701 10 0 FFAERN C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000079085523 507931473 /nfs/dbraw/zinc/93/14/73/507931473.db2.gz DLGOZLRJYSPATN-RYUDHWBXSA-N 0 0 372.296 2.710 10 0 FFAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000073606316 507936963 /nfs/dbraw/zinc/93/69/63/507936963.db2.gz UWIOMCLIHIYVCN-RDTXWAMCSA-N 0 0 374.485 2.748 10 0 FFAERN O=C(NCCOc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109087938 507937654 /nfs/dbraw/zinc/93/76/54/507937654.db2.gz HGILRIJAKYXYBL-ZIAGYGMSSA-N 0 0 361.344 2.992 10 0 FFAERN O=C(Nc1cc(Cl)ccc1O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000109091590 507938195 /nfs/dbraw/zinc/93/81/95/507938195.db2.gz MKUNWTZSIVQEMH-AWEZNQCLSA-N 0 0 360.797 2.995 10 0 FFAERN CN1C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)cc2C1=O ZINC000109098678 507939061 /nfs/dbraw/zinc/93/90/61/507939061.db2.gz ANSGZIJBMAKOLP-QWHCGFSZSA-N 0 0 356.328 2.933 10 0 FFAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCC(Nc2cccnn2)CC1 ZINC000109124834 507941353 /nfs/dbraw/zinc/94/13/53/507941353.db2.gz OLVNBEQEJILULY-LSDHHAIUSA-N 0 0 358.392 2.961 10 0 FFAERN CC(C)Oc1ccc(F)cc1NC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000109161140 507943796 /nfs/dbraw/zinc/94/37/96/507943796.db2.gz NOBKHAITVROJGV-UHFFFAOYSA-N 0 0 353.438 2.533 10 0 FFAERN CC[C@@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)c1nc(C)cs1 ZINC000109174490 507944745 /nfs/dbraw/zinc/94/47/45/507944745.db2.gz SWBSOSQAEFITKH-HZPDHXFCSA-N 0 0 374.510 2.901 10 0 FFAERN CCc1cccc2c(CC(=O)N3CCN(C(=O)c4ccco4)CC3)c[nH]c21 ZINC000109201435 507946706 /nfs/dbraw/zinc/94/67/06/507946706.db2.gz NTNAHEOMCPPGSQ-UHFFFAOYSA-N 0 0 365.433 2.850 10 0 FFAERN COc1ccc(O[C@H](C)C(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000109220236 507948498 /nfs/dbraw/zinc/94/84/98/507948498.db2.gz RKEDYCIKCOPMPN-OAHLLOKOSA-N 0 0 362.470 2.616 10 0 FFAERN CC(=O)N1CCC(CCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000079312797 507953259 /nfs/dbraw/zinc/95/32/59/507953259.db2.gz BDPHVGZAJMERMS-CQSZACIVSA-N 0 0 360.454 2.674 10 0 FFAERN CCc1cc(N2CCO[C@H](Cn3cc(C)cn3)C2)nc(-c2ccncc2)n1 ZINC000109320879 507954597 /nfs/dbraw/zinc/95/45/97/507954597.db2.gz GHKAEXFFDVALKW-SFHVURJKSA-N 0 0 364.453 2.511 10 0 FFAERN CCc1cc(N2CCC(Nc3cccnn3)CC2)nc(-c2ccncc2)n1 ZINC000109320020 507954691 /nfs/dbraw/zinc/95/46/91/507954691.db2.gz NVCJAVXFJLQVPS-UHFFFAOYSA-N 0 0 361.453 2.972 10 0 FFAERN C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[C@@H](O)c3ccccc3)CC2)C1 ZINC000091094674 507954859 /nfs/dbraw/zinc/95/48/59/507954859.db2.gz GKNQEOOZTCEQNW-QFBILLFUSA-N 0 0 358.482 2.607 10 0 FFAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000079345613 507954941 /nfs/dbraw/zinc/95/49/41/507954941.db2.gz WDZGHKTVUBLARI-FZMZJTMJSA-N 0 0 355.385 2.659 10 0 FFAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000073784396 507955468 /nfs/dbraw/zinc/95/54/68/507955468.db2.gz KPRSKSCESPSGIO-CQSZACIVSA-N 0 0 364.465 2.716 10 0 FFAERN O=C(COc1ccccc1F)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000109336872 507955771 /nfs/dbraw/zinc/95/57/71/507955771.db2.gz DBKVXFXIVIEXIE-UHFFFAOYSA-N 0 0 362.445 2.892 10 0 FFAERN C[C@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CCS1 ZINC000079413963 507960302 /nfs/dbraw/zinc/96/03/02/507960302.db2.gz NHYJFWZQYKBGRV-NSHDSACASA-N 0 0 364.330 2.660 10 0 FFAERN O=C(Cc1cc(F)ccc1F)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000079441177 507962272 /nfs/dbraw/zinc/96/22/72/507962272.db2.gz QJLDCIJAIDBAFB-OAHLLOKOSA-N 0 0 351.374 2.542 10 0 FFAERN COc1ccc(-n2ccc(C(=O)NCCCc3nc(C(C)C)no3)n2)cc1 ZINC000109508585 507966193 /nfs/dbraw/zinc/96/61/93/507966193.db2.gz CZDTYMDTHGJEHT-UHFFFAOYSA-N 0 0 369.425 2.750 10 0 FFAERN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CC(C)(C)C)cc1 ZINC000109516874 507966527 /nfs/dbraw/zinc/96/65/27/507966527.db2.gz YZLCXFNPYYAOJP-OAHLLOKOSA-N 0 0 352.500 2.978 10 0 FFAERN COc1ccc(N2C[C@@H](c3nc(-c4ccc(OC)nc4)no3)CC2=O)cc1 ZINC000109587106 507970273 /nfs/dbraw/zinc/97/02/73/507970273.db2.gz JFJIZOHQQPEUDM-ZDUSSCGKSA-N 0 0 366.377 2.669 10 0 FFAERN COc1ccc(-c2noc(-c3ccc(CN4CCCC4=O)cc3)n2)cn1 ZINC000109591718 507970354 /nfs/dbraw/zinc/97/03/54/507970354.db2.gz ONKDKLUXNYMKTN-UHFFFAOYSA-N 0 0 350.378 2.930 10 0 FFAERN COCCCOCCN(C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000091228928 507970942 /nfs/dbraw/zinc/97/09/42/507970942.db2.gz NNQVITTYKWEGGK-MRXNPFEDSA-N 0 0 350.459 2.983 10 0 FFAERN COc1ccc(CCCC(=O)N2CCCN(c3cccnn3)CC2)cc1 ZINC000109630836 507973120 /nfs/dbraw/zinc/97/31/20/507973120.db2.gz HDVTYDVSXZYQKY-UHFFFAOYSA-N 0 0 354.454 2.547 10 0 FFAERN CCSc1ccc(C(=O)N2CCCN(c3ccc(C)nn3)CC2)cn1 ZINC000109633545 507973562 /nfs/dbraw/zinc/97/35/62/507973562.db2.gz 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CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000175512496 251220154 /nfs/dbraw/zinc/22/01/54/251220154.db2.gz XYXUIFKDHCUADT-YOEHRIQHSA-N 0 0 370.457 2.675 10 0 FFAERN CCc1nnc([C@H]2CN(C(=O)c3cc(-c4ccc(C)cc4)no3)CCO2)[nH]1 ZINC000173553977 251206544 /nfs/dbraw/zinc/20/65/44/251206544.db2.gz KAYKXVVGXWKXPF-MRXNPFEDSA-N 0 0 367.409 2.544 10 0 FFAERN CCCCOc1ccc(C(=O)N2CCO[C@@H](c3nnc(CC)[nH]3)C2)cc1 ZINC000173567407 251208401 /nfs/dbraw/zinc/20/84/01/251208401.db2.gz LADBEMUJEFHQTO-MRXNPFEDSA-N 0 0 358.442 2.760 10 0 FFAERN CCc1nnc([C@H]2CN(C(=O)CCC(=O)c3cc(C)ccc3C)CCO2)[nH]1 ZINC000173574817 251209557 /nfs/dbraw/zinc/20/95/57/251209557.db2.gz LNGXULJQOFUROG-QGZVFWFLSA-N 0 0 370.453 2.547 10 0 FFAERN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000175598597 251234855 /nfs/dbraw/zinc/23/48/55/251234855.db2.gz NDZBPCLYXGQPBP-LESCRADOSA-N 0 0 359.470 2.863 10 0 FFAERN C[C@H](N1CCN(C(=O)N[C@H]2CCOc3ccccc32)CC1)C(F)(F)F ZINC000175551068 251227864 /nfs/dbraw/zinc/22/78/64/251227864.db2.gz AAGGMXLXOSRNTG-JSGCOSHPSA-N 0 0 357.376 2.788 10 0 FFAERN Cc1cccc(O[C@@H](C)C(=O)N2CCC(c3nc(N(C)C)no3)CC2)c1 ZINC000186767290 251259310 /nfs/dbraw/zinc/25/93/10/251259310.db2.gz UGASCYIHEOMVOE-AWEZNQCLSA-N 0 0 358.442 2.618 10 0 FFAERN CN(C)c1noc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 ZINC000186768869 251259687 /nfs/dbraw/zinc/25/96/87/251259687.db2.gz CIGFHJQHFCWDDW-UHFFFAOYSA-N 0 0 352.797 2.948 10 0 FFAERN C[C@H](CCOc1ccccc1)C(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000186768148 251259690 /nfs/dbraw/zinc/25/96/90/251259690.db2.gz YHMQFINSOVLJQU-OAHLLOKOSA-N 0 0 372.469 2.947 10 0 FFAERN COc1ccc(CCCC(=O)N2CCC(c3nc(N(C)C)no3)CC2)cc1 ZINC000186776042 251261050 /nfs/dbraw/zinc/26/10/50/251261050.db2.gz AJRZLRYPYYLMNP-UHFFFAOYSA-N 0 0 372.469 2.873 10 0 FFAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000181145718 251248973 /nfs/dbraw/zinc/24/89/73/251248973.db2.gz RHVDONKKFVMDPL-FQEVSTJZSA-N 0 0 374.529 2.843 10 0 FFAERN Cc1c(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cnn1Cc1ccccc1 ZINC000181188290 251255212 /nfs/dbraw/zinc/25/52/12/251255212.db2.gz LVOPOFKPCAJNCB-KRWDZBQOSA-N 0 0 350.426 2.725 10 0 FFAERN Cc1c(C(=O)N2CCC(c3cc[nH]n3)CC2)nnn1Cc1ccc(F)cc1 ZINC000192597606 251293279 /nfs/dbraw/zinc/29/32/79/251293279.db2.gz IBGCUNNEOVQMPM-UHFFFAOYSA-N 0 0 368.416 2.517 10 0 FFAERN CCc1nc(C2(NCCS(=O)(=O)c3ccc(F)cc3)CCCC2)no1 ZINC000192605498 251293292 /nfs/dbraw/zinc/29/32/92/251293292.db2.gz WUWCOYAKTOQLIM-UHFFFAOYSA-N 0 0 367.446 2.604 10 0 FFAERN CCCNc1ccc(CNC(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000192595148 251293322 /nfs/dbraw/zinc/29/33/22/251293322.db2.gz OUBLYELTAQQQEL-IBGZPJMESA-N 0 0 371.485 2.624 10 0 FFAERN O=C(N[C@H]1CCOc2ccccc21)C1CCN(C(=O)N2CCCC2)CC1 ZINC000192501926 251278913 /nfs/dbraw/zinc/27/89/13/251278913.db2.gz YNOAICOKRDDMSX-KRWDZBQOSA-N 0 0 357.454 2.554 10 0 FFAERN Cn1nccc1C1CCN(C(=O)Nc2ccncc2Br)CC1 ZINC000272699038 252106590 /nfs/dbraw/zinc/10/65/90/252106590.db2.gz STEOEZBBILIPIE-UHFFFAOYSA-N 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/nfs/dbraw/zinc/82/44/94/220824494.db2.gz FIVIYKYYLRZGAJ-UHFFFAOYSA-N 0 0 371.178 2.747 10 0 FFAERN Cc1nc(C)c(C(=O)N2CCC(NC(=O)c3ccccc3F)CC2)s1 ZINC000043064503 220944994 /nfs/dbraw/zinc/94/49/94/220944994.db2.gz CVRITBGYHVEHMR-UHFFFAOYSA-N 0 0 361.442 2.934 10 0 FFAERN Cc1nc(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccco3)cc2)n[nH]1 ZINC000050896579 221033700 /nfs/dbraw/zinc/03/37/00/221033700.db2.gz HHUQGIHGCZYFOH-OAHLLOKOSA-N 0 0 365.393 2.616 10 0 FFAERN O=C(c1ccc(I)cc1)N1CCC[C@H]1CCCO ZINC000052758967 221039189 /nfs/dbraw/zinc/03/91/89/221039189.db2.gz JEHITXWHLOXISA-ZDUSSCGKSA-N 0 0 359.207 2.668 10 0 FFAERN O=C(CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)OC1CCCCC1 ZINC000057710286 221093249 /nfs/dbraw/zinc/09/32/49/221093249.db2.gz DLHKVNXJHQYCSK-UHFFFAOYSA-N 0 0 361.438 2.575 10 0 FFAERN Nc1ccc(I)cc1-c1nc(C[C@@H]2CCCO2)no1 ZINC000062824296 221140985 /nfs/dbraw/zinc/14/09/85/221140985.db2.gz MMDLSRNEQDTIAC-VIFPVBQESA-N 0 0 371.178 2.645 10 0 FFAERN CS(=O)(=O)Nc1ccccc1NC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000276910794 256141526 /nfs/dbraw/zinc/14/15/26/256141526.db2.gz JXTNRCZVUJHKKT-LIRRHRJNSA-N 0 0 372.446 2.737 10 0 FFAERN Cc1cc(N2CCN(Cc3cnc(N)nc3)CC2)nc2cc3c(cc12)CCC3 ZINC000065396847 221210923 /nfs/dbraw/zinc/21/09/23/221210923.db2.gz JIDLUYMJRSDJMA-UHFFFAOYSA-N 0 0 374.492 2.726 10 0 FFAERN CC(C)Nc1cc(N2CCN(Cc3ccnc(C(C)C)n3)CC2)ncn1 ZINC000065384751 221208244 /nfs/dbraw/zinc/20/82/44/221208244.db2.gz GGWHPZZHJDRWQM-UHFFFAOYSA-N 0 0 355.490 2.533 10 0 FFAERN Cn1c2c(nc1[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1)CCCC2 ZINC000278792837 256348201 /nfs/dbraw/zinc/34/82/01/256348201.db2.gz XKBKLPJLKIFMND-QGZVFWFLSA-N 0 0 363.458 2.964 10 0 FFAERN Nc1nc2c(c(-c3cccnc3)n1)CN(C(=O)c1cc(F)c(F)c(F)c1)C2 ZINC000067886515 221301600 /nfs/dbraw/zinc/30/16/00/221301600.db2.gz CMDSYEVRSKUKPP-UHFFFAOYSA-N 0 0 371.322 2.694 10 0 FFAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCCC[C@@H]2C)cc1 ZINC000069048199 221320689 /nfs/dbraw/zinc/32/06/89/221320689.db2.gz QUHGHSXFCAWGPF-DOTOQJQBSA-N 0 0 350.484 2.549 10 0 FFAERN CCC[C@H](C(=O)OC)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F ZINC000071792944 221376356 /nfs/dbraw/zinc/37/63/56/221376356.db2.gz ARHJVYCYNALILN-QWHCGFSZSA-N 0 0 367.389 2.794 10 0 FFAERN CCn1c2ccccc2nc1[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000072045633 221399027 /nfs/dbraw/zinc/39/90/27/221399027.db2.gz DSHYNRYJSZPHHX-CHWSQXEVSA-N 0 0 354.410 2.645 10 0 FFAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000286932712 257062572 /nfs/dbraw/zinc/06/25/72/257062572.db2.gz DJBSBFOUCKHOIT-QWHCGFSZSA-N 0 0 372.391 2.536 10 0 FFAERN CCCCNC(=O)[C@@H]1CCCN(c2cc(N3CCC[C@@H](C)C3)ncn2)C1 ZINC000301221405 258035065 /nfs/dbraw/zinc/03/50/65/258035065.db2.gz AMOARSHMUVENOA-IAGOWNOFSA-N 0 0 359.518 2.846 10 0 FFAERN C[C@@]1(c2ccccc2)CCCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000301251232 258037176 /nfs/dbraw/zinc/03/71/76/258037176.db2.gz DCCSCJSBLSCWFF-GHTZIAJQSA-N 0 0 352.482 2.996 10 0 FFAERN CC(C)(C)c1cn2nc(N[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)sc2n1 ZINC000301371491 258045581 /nfs/dbraw/zinc/04/55/81/258045581.db2.gz TVGRSJDEZXBDAF-GHMZBOCLSA-N 0 0 356.517 2.856 10 0 FFAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@H](n3cccn3)C2)cc1 ZINC000328722047 258118885 /nfs/dbraw/zinc/11/88/85/258118885.db2.gz XHIYIBDIOZCJKR-JLSDUUJJSA-N 0 0 352.438 2.955 10 0 FFAERN COC(=O)[C@@]12CCC[C@H]1CN(c1nc(-c3ccccn3)nc3c1CCC3)C2 ZINC000302146959 258091224 /nfs/dbraw/zinc/09/12/24/258091224.db2.gz GUTBAQMNPJEQBH-LHSJRXKWSA-N 0 0 364.449 2.807 10 0 FFAERN CCc1cc(=O)n2nc(Nc3ccc4c(c3)CCC(=O)N4CC)sc2n1 ZINC000302164167 258092006 /nfs/dbraw/zinc/09/20/06/258092006.db2.gz QNIBZJFTSDVWDT-UHFFFAOYSA-N 0 0 369.450 2.756 10 0 FFAERN CCc1cc(=O)[nH]c(-c2ccc(N3C[C@H]4CCC[C@@]4(C(=O)OC)C3)nc2)n1 ZINC000302177822 258092701 /nfs/dbraw/zinc/09/27/01/258092701.db2.gz NHQSEHOFBRDLNU-JLTOFOAXSA-N 0 0 368.437 2.586 10 0 FFAERN CC1(CCNc2ccc(C(=O)N3CCc4ccccc43)cn2)OCCO1 ZINC000302172869 258092821 /nfs/dbraw/zinc/09/28/21/258092821.db2.gz VMRLYVPHBWLMPA-UHFFFAOYSA-N 0 0 353.422 2.850 10 0 FFAERN CCc1cc(N2C[C@@H]3CCC[C@@]3(C(=O)OC)C2)nc(-c2ccncc2)n1 ZINC000302190978 258094031 /nfs/dbraw/zinc/09/40/31/258094031.db2.gz QXDQYYLDZAZGTB-MGPUTAFESA-N 0 0 352.438 2.881 10 0 FFAERN O=c1ccnc2sc(NC[C@H](O)c3ccc(-c4ccccc4)cc3)nn21 ZINC000302203577 258094551 /nfs/dbraw/zinc/09/45/51/258094551.db2.gz UMZVMHZBIDVGIX-INIZCTEOSA-N 0 0 364.430 2.964 10 0 FFAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](n3cccn3)C2)cc1 ZINC000328722049 258119005 /nfs/dbraw/zinc/11/90/05/258119005.db2.gz XHIYIBDIOZCJKR-ZTFGCOKTSA-N 0 0 352.438 2.955 10 0 FFAERN CC(=O)N1CC[C@H](Nc2ncnc3nc(N)ccc32)c2ccc(F)cc2C1 ZINC000302207615 258095110 /nfs/dbraw/zinc/09/51/10/258095110.db2.gz XFVXVVLSRMAEPJ-INIZCTEOSA-N 0 0 366.400 2.652 10 0 FFAERN Cn1cc(CCNc2nn3c(nccc3=O)s2)c2ccc(Cl)cc21 ZINC000302513192 258104564 /nfs/dbraw/zinc/10/45/64/258104564.db2.gz GMJXHSDBTYWMPO-UHFFFAOYSA-N 0 0 359.842 2.951 10 0 FFAERN Cc1csc(N2CCC(C(=O)N3CCC(n4ccnc4)CC3)CC2)n1 ZINC000328745864 258119400 /nfs/dbraw/zinc/11/94/00/258119400.db2.gz 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/nfs/dbraw/zinc/11/71/09/258117109.db2.gz RJTACLZPXBAVTN-KSSFIOAISA-N 0 0 352.413 2.910 10 0 FFAERN Cc1ccc2ncnc(N3CCC[C@H](C(=O)NCC(F)(F)F)C3)c2c1 ZINC000301472437 258050957 /nfs/dbraw/zinc/05/09/57/258050957.db2.gz PZUSTPDNORKBJN-LBPRGKRZSA-N 0 0 352.360 2.833 10 0 FFAERN CCc1cc(N2CCC(Nc3cc(-c4nc(C)no4)ccn3)CC2)ncn1 ZINC000301483511 258051844 /nfs/dbraw/zinc/05/18/44/258051844.db2.gz GEBGSHYVPVXJOB-UHFFFAOYSA-N 0 0 365.441 2.873 10 0 FFAERN CCS[C@@H]1CC[C@]1(O)CNc1ccc2nnc(-c3ccccc3)n2n1 ZINC000301493355 258052361 /nfs/dbraw/zinc/05/23/61/258052361.db2.gz QIWUCXNRDMFQBJ-KDOFPFPSSA-N 0 0 355.467 2.850 10 0 FFAERN Cc1csc(-c2cccc(S(=O)(=O)N[C@@H]3CCCC[C@H]3CO)c2)n1 ZINC000328670513 258117222 /nfs/dbraw/zinc/11/72/22/258117222.db2.gz MRPHNBAOLQTBFS-GOEBONIOSA-N 0 0 366.508 2.948 10 0 FFAERN Cc1nc(-c2ccc(NC[C@H](CO)Cc3ccccn3)nc2)[nH]c(=O)c1C ZINC000301524030 258053663 /nfs/dbraw/zinc/05/36/63/258053663.db2.gz FGPUQWVWMWZSDG-OAHLLOKOSA-N 0 0 365.437 2.519 10 0 FFAERN 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Cc1c(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cccc1N1CCNC1=O ZINC000152656587 508487747 /nfs/dbraw/zinc/48/77/47/508487747.db2.gz WCGHCCNWMXZZBM-NSHGMRRFSA-N 0 0 361.445 2.840 10 0 FFAERN COc1ccc2cc(C(=O)N3CC[C@@H](c4cnn(C)c4)C3)c(C)nc2c1 ZINC000116229136 508489054 /nfs/dbraw/zinc/48/90/54/508489054.db2.gz FTQRZQBWFSXNTN-OAHLLOKOSA-N 0 0 350.422 2.915 10 0 FFAERN Cn1cc([C@@H]2CCN(C(=O)CCC(=O)c3ccc4c(c3)CCC4)C2)cn1 ZINC000116228342 508489119 /nfs/dbraw/zinc/48/91/19/508489119.db2.gz DDPDIXVTBYFGSI-GOSISDBHSA-N 0 0 351.450 2.888 10 0 FFAERN Cc1ccc(CNC(=O)N[C@@H]2CCCn3ncnc32)c(OCC2CC2)c1 ZINC000122156995 508490184 /nfs/dbraw/zinc/49/01/84/508490184.db2.gz QOAOVISXZMYPBW-MRXNPFEDSA-N 0 0 355.442 2.710 10 0 FFAERN CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1C ZINC000116245323 508491725 /nfs/dbraw/zinc/49/17/25/508491725.db2.gz DOCKRJPDLRXJBM-UGSOOPFHSA-N 0 0 368.481 2.870 10 0 FFAERN CCOc1ccc(CCC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000134119294 508495277 /nfs/dbraw/zinc/49/52/77/508495277.db2.gz ZBMXDBBWLKBGTC-INIZCTEOSA-N 0 0 356.470 2.864 10 0 FFAERN COc1sc(CN2CCO[C@@H](Cn3cccn3)C2)cc1Br ZINC000122191551 508495878 /nfs/dbraw/zinc/49/58/78/508495878.db2.gz LDOIOVHRRBFBBE-LLVKDONJSA-N 0 0 372.288 2.617 10 0 FFAERN COc1cc(OC)c(CNC(=O)CN2CCC[C@@H]2c2ccco2)c(OC)c1 ZINC000116296330 508496182 /nfs/dbraw/zinc/49/61/82/508496182.db2.gz GSUYMOFQCFGQJK-MRXNPFEDSA-N 0 0 374.437 2.759 10 0 FFAERN O=C(NCCc1nnc2n1CCCC2)c1csc(-c2ccsc2)n1 ZINC000156927113 508497549 /nfs/dbraw/zinc/49/75/49/508497549.db2.gz WFMQQFRZWIOVAF-UHFFFAOYSA-N 0 0 359.480 2.772 10 0 FFAERN COc1cccc(Cl)c1CC(=O)N1CCCN(c2ccc(C)nn2)CC1 ZINC000134165041 508501702 /nfs/dbraw/zinc/50/17/02/508501702.db2.gz QWDVQWLYAQPABM-UHFFFAOYSA-N 0 0 374.872 2.728 10 0 FFAERN C[C@H](NC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)c1cccc(-n2ccnc2)c1 ZINC000122225354 508502578 /nfs/dbraw/zinc/50/25/78/508502578.db2.gz IFRJHCSTVBFKBI-SNRMKQJTSA-N 0 0 370.453 2.523 10 0 FFAERN CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3c3ccco3)ccc21 ZINC000116353079 508502700 /nfs/dbraw/zinc/50/27/00/508502700.db2.gz SRGFFRHKMCNMAM-QGZVFWFLSA-N 0 0 360.435 2.714 10 0 FFAERN CC(C)CCN(CCC(C)C)S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116369588 508504021 /nfs/dbraw/zinc/50/40/21/508504021.db2.gz SFWLATWWZOJOBE-QGZVFWFLSA-N 0 0 370.563 2.848 10 0 FFAERN CN1C(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000122242746 508504998 /nfs/dbraw/zinc/50/49/98/508504998.db2.gz UDABZHRMYGHIOT-MJGOQNOKSA-N 0 0 358.388 2.843 10 0 FFAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cnn(-c2ccccc2)c1C ZINC000156974992 508505595 /nfs/dbraw/zinc/50/55/95/508505595.db2.gz BPSJGMGVOYEWSA-OAHLLOKOSA-N 0 0 351.414 2.737 10 0 FFAERN CC(C)Nc1ncnc2c1ncn2C[C@H](O)COc1ccccc1Cl ZINC000116400979 508507405 /nfs/dbraw/zinc/50/74/05/508507405.db2.gz ANNFGVJBWMDCKO-LBPRGKRZSA-N 0 0 361.833 2.740 10 0 FFAERN CCS[C@@H]1CC[C@H](N(C)C(=O)NC2CCN(c3ncccn3)CC2)C1 ZINC000122262153 508508295 /nfs/dbraw/zinc/50/82/95/508508295.db2.gz CHWFHKOCFXEJQV-JKSUJKDBSA-N 0 0 363.531 2.761 10 0 FFAERN Cc1nc(CN2CCCN(C(=O)NCCOc3ccccc3)CC2)cs1 ZINC000116412910 508509346 /nfs/dbraw/zinc/50/93/46/508509346.db2.gz XQZXZVAMANMZKO-UHFFFAOYSA-N 0 0 374.510 2.748 10 0 FFAERN Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000127846408 508509644 /nfs/dbraw/zinc/50/96/44/508509644.db2.gz JMZLYHZVSPZNFB-ZDUSSCGKSA-N 0 0 359.474 2.620 10 0 FFAERN COc1ccc([C@H](C)NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1OC ZINC000116419832 508510187 /nfs/dbraw/zinc/51/01/87/508510187.db2.gz FPCLXDXVFHIAIA-ZFWWWQNUSA-N 0 0 358.442 2.697 10 0 FFAERN O=C(CCn1ccc2cc(Cl)ccc21)N1CCO[C@@H](Cn2cccn2)C1 ZINC000134270243 508515130 /nfs/dbraw/zinc/51/51/30/508515130.db2.gz WLCYKRGQGQLAEK-QGZVFWFLSA-N 0 0 372.856 2.809 10 0 FFAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2ccccc2OCC2CC2)C1 ZINC000134287818 508517223 /nfs/dbraw/zinc/51/72/23/508517223.db2.gz YUCCIRMHHHNPSQ-LPHOPBHVSA-N 0 0 369.465 2.795 10 0 FFAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C)c2ncccc12 ZINC000157072770 508518913 /nfs/dbraw/zinc/51/89/13/508518913.db2.gz JVDBPSXAELWKHG-CQSZACIVSA-N 0 0 371.466 2.511 10 0 FFAERN Cn1cc([C@@H]2CCN(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)C2)cn1 ZINC000116481250 508519424 /nfs/dbraw/zinc/51/94/24/508519424.db2.gz HNDHRIHDLAUREW-MRXNPFEDSA-N 0 0 367.453 2.678 10 0 FFAERN CC(C)Oc1cccc(CC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1 ZINC000134329714 508521143 /nfs/dbraw/zinc/52/11/43/508521143.db2.gz GCIYLJRNUQWPHS-XLIONFOSSA-N 0 0 371.481 2.722 10 0 FFAERN CCOc1ccc(CCC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000134329468 508521284 /nfs/dbraw/zinc/52/12/84/508521284.db2.gz YPORXRNSKPYYEI-XLIONFOSSA-N 0 0 371.481 2.724 10 0 FFAERN Cc1cnn(C[C@H]2CN(Cc3c[nH]nc3-c3ccc(C)cc3)CCO2)c1 ZINC000122349106 508521421 /nfs/dbraw/zinc/52/14/21/508521421.db2.gz KNBMORCWRADBFF-LJQANCHMSA-N 0 0 351.454 2.791 10 0 FFAERN COC(=O)Nc1cc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)ccc1F ZINC000116497133 508521593 /nfs/dbraw/zinc/52/15/93/508521593.db2.gz LUIPHWCSVKUJPN-NSHDSACASA-N 0 0 361.377 2.759 10 0 FFAERN Cc1ccc2cccc(C(=O)N3CCC[C@@H]([C@@H](O)c4nccn4C)C3)c2n1 ZINC000134351439 508523615 /nfs/dbraw/zinc/52/36/15/508523615.db2.gz UARDEINNIVQVNA-VQIMIIECSA-N 0 0 364.449 2.863 10 0 FFAERN Cc1cc(F)cc2[nH]c(C(=O)N3CCC[C@@H]([C@@H](O)c4nccn4C)C3)cc21 ZINC000134364225 508524830 /nfs/dbraw/zinc/52/48/30/508524830.db2.gz FLPVYTLFSKUTQV-FZKQIMNGSA-N 0 0 370.428 2.935 10 0 FFAERN Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000134368631 508525248 /nfs/dbraw/zinc/52/52/48/508525248.db2.gz PXGQTNIIHOHBFD-FOIQADDNSA-N 0 0 366.465 2.725 10 0 FFAERN Cc1ccc2cc(C(=O)N3CCC[C@@H]([C@H](O)c4nccn4C)C3)[nH]c2c1 ZINC000134368400 508525269 /nfs/dbraw/zinc/52/52/69/508525269.db2.gz KCEKSNXEEBZDLK-QAPCUYQASA-N 0 0 352.438 2.796 10 0 FFAERN COc1ccsc1S(=O)(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000122379556 508526338 /nfs/dbraw/zinc/52/63/38/508526338.db2.gz RVKXHZOIBJVEDA-GFCCVEGCSA-N 0 0 363.464 2.982 10 0 FFAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000157134355 508527436 /nfs/dbraw/zinc/52/74/36/508527436.db2.gz ZTJPZZYFYWHDAL-GVDBMIGSSA-N 0 0 373.497 2.948 10 0 FFAERN O=C(c1ccc(Br)cc1O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127959822 508527496 /nfs/dbraw/zinc/52/74/96/508527496.db2.gz KGNCXNZUQHZRRZ-BZNIZROVSA-N 0 0 354.244 2.922 10 0 FFAERN C[C@H](C(=O)NC(C)(C)C)N1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152891151 508529536 /nfs/dbraw/zinc/52/95/36/508529536.db2.gz XZCZGGNIJCTFGE-MRXNPFEDSA-N 0 0 370.497 2.762 10 0 FFAERN Cc1cnn(C[C@@H]2CN(Cc3c[nH]nc3-c3cccc(C)c3)CCO2)c1 ZINC000122421865 508532811 /nfs/dbraw/zinc/53/28/11/508532811.db2.gz ZYEVWKNZUAMZQX-IBGZPJMESA-N 0 0 351.454 2.791 10 0 FFAERN COC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)cc1C ZINC000116576765 508532893 /nfs/dbraw/zinc/53/28/93/508532893.db2.gz OPNKEUFNGQJNFG-HNNXBMFYSA-N 0 0 356.378 2.677 10 0 FFAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(F)cc1Cl ZINC000134450554 508534077 /nfs/dbraw/zinc/53/40/77/508534077.db2.gz PDIPICBTEMIQQE-LBPRGKRZSA-N 0 0 353.785 2.874 10 0 FFAERN Cc1nc(Cc2noc([C@@]3(C)CCCN3C(=O)c3ccccc3)n2)no1 ZINC000116606680 508537157 /nfs/dbraw/zinc/53/71/57/508537157.db2.gz WZADKWCTYDOVHK-GOSISDBHSA-N 0 0 353.382 2.503 10 0 FFAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCC(c4cc[nH]n4)CC3)cc2)co1 ZINC000122450834 508537304 /nfs/dbraw/zinc/53/73/04/508537304.db2.gz AORILVYCQSKVPA-UHFFFAOYSA-N 0 0 372.450 2.941 10 0 FFAERN COC(=O)C[C@H](NC(=O)C[C@H](O)C(C)C)c1cccc(Br)c1 ZINC000157215011 508538788 /nfs/dbraw/zinc/53/87/88/508538788.db2.gz PFIKPBQKCSDASM-KBPBESRZSA-N 0 0 372.259 2.577 10 0 FFAERN CCOc1cc2c(cc1CNC(=O)NC[C@@H]1CCCC[C@@H]1O)O[C@H](C)C2 ZINC000153063555 508544056 /nfs/dbraw/zinc/54/40/56/508544056.db2.gz DHJZGQGDIRCTSR-KEYYUXOJSA-N 0 0 362.470 2.759 10 0 FFAERN Cc1cccc(N2CCC(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)CC2)n1 ZINC000116670272 508544628 /nfs/dbraw/zinc/54/46/28/508544628.db2.gz VAFFHMFYDYDKLW-SJPCQFCGSA-N 0 0 355.482 2.870 10 0 FFAERN O=C(NCc1cccnc1-n1cncn1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000128108030 508548618 /nfs/dbraw/zinc/54/86/18/508548618.db2.gz YYJJCNUVIDVJRI-ZDUSSCGKSA-N 0 0 368.363 2.583 10 0 FFAERN Cc1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1 ZINC000134591760 508549493 /nfs/dbraw/zinc/54/94/93/508549493.db2.gz PLUURKGTTBIHJP-WMLDXEAASA-N 0 0 360.360 2.546 10 0 FFAERN COc1ccc(CCCNC(=O)N2CCC(c3ccnn3C)CC2)cc1 ZINC000157337819 508554409 /nfs/dbraw/zinc/55/44/09/508554409.db2.gz YIDKXUNHRIXGFB-UHFFFAOYSA-N 0 0 356.470 2.951 10 0 FFAERN CCc1onc(C)c1NC(=O)C(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C ZINC000134650688 508555501 /nfs/dbraw/zinc/55/55/01/508555501.db2.gz BNBLMPAWCCFQOO-CQSZACIVSA-N 0 0 373.457 2.968 10 0 FFAERN CCOCCN1CCN(C(=O)c2ccc(SCC)nc2)C[C@H]1CC ZINC000116766876 508556812 /nfs/dbraw/zinc/55/68/12/508556812.db2.gz CBMOTARDWJRZBK-MRXNPFEDSA-N 0 0 351.516 2.767 10 0 FFAERN CCOCCN1CCN(C(=O)c2cc(Cl)ccc2OC)C[C@H]1CC ZINC000116767564 508557240 /nfs/dbraw/zinc/55/72/40/508557240.db2.gz HDAGTKGZMWZZHJ-OAHLLOKOSA-N 0 0 354.878 2.922 10 0 FFAERN 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CCc1nc(C2(NC(=O)c3ccc(F)c(NC(C)=O)c3)CCCC2)no1 ZINC000175125869 510494277 /nfs/dbraw/zinc/49/42/77/510494277.db2.gz JBUVOGLNVIJKDO-UHFFFAOYSA-N 0 0 360.389 2.929 10 0 FFAERN CCOc1ccccc1OCC(=O)NC1(c2noc(CC)n2)CCCC1 ZINC000175132940 510497542 /nfs/dbraw/zinc/49/75/42/510497542.db2.gz BHNIXDDNKRRTNZ-UHFFFAOYSA-N 0 0 359.426 2.995 10 0 FFAERN CCOC(=O)c1c(C)[nH]c(C(=O)NC2(c3noc(CC)n3)CCCC2)c1C ZINC000175141929 510501926 /nfs/dbraw/zinc/50/19/26/510501926.db2.gz MVMUPRUXIUKQSA-UHFFFAOYSA-N 0 0 374.441 2.953 10 0 FFAERN CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000181617124 510502634 /nfs/dbraw/zinc/50/26/34/510502634.db2.gz DJBOJXQXOIFZLF-OAHLLOKOSA-N 0 0 370.457 2.521 10 0 FFAERN COCCCCCNC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184759177 510503196 /nfs/dbraw/zinc/50/31/96/510503196.db2.gz DLFDRFGLMNXWFH-SFHVURJKSA-N 0 0 365.449 2.735 10 0 FFAERN COc1cc(C=O)ccc1OCCC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000184759144 510503880 /nfs/dbraw/zinc/50/38/80/510503880.db2.gz 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0 372.469 2.918 10 0 FFAERN CC(=O)Nc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccccc2)CCCO1 ZINC000616598469 520074363 /nfs/dbraw/zinc/07/43/63/520074363.db2.gz LRCWEVHALXLSJV-IBGZPJMESA-N 0 0 374.462 2.797 10 0 FFAERN CC(=O)Nc1cccc([C@@H]2CCOCCN2S(=O)(=O)c2ccccc2)c1 ZINC000616599272 520074907 /nfs/dbraw/zinc/07/49/07/520074907.db2.gz YLJXLZAZHVGRSJ-IBGZPJMESA-N 0 0 374.462 2.797 10 0 FFAERN CC(=O)Nc1ccc([C@H]2CCOCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000616599805 520075195 /nfs/dbraw/zinc/07/51/95/520075195.db2.gz WZZQMXQJASZFNG-LJQANCHMSA-N 0 0 374.462 2.797 10 0 FFAERN O=S(=O)(c1ccccc1)N1CCNC[C@H]1c1ccc2ccccc2n1 ZINC000616605095 520076674 /nfs/dbraw/zinc/07/66/74/520076674.db2.gz RWBIANSYNPMIEX-IBGZPJMESA-N 0 0 353.447 2.570 10 0 FFAERN O=S(=O)(c1ccccc1)N1CCNC[C@H]1c1cccc2ncccc21 ZINC000616605077 520076784 /nfs/dbraw/zinc/07/67/84/520076784.db2.gz RJAXYIKHADJDED-IBGZPJMESA-N 0 0 353.447 2.570 10 0 FFAERN O=S(=O)(c1ccccc1)N1CCOC[C@H]1c1nccc2ccccc21 ZINC000616604173 520077780 /nfs/dbraw/zinc/07/77/80/520077780.db2.gz RHKPOOYPTPVQAS-SFHVURJKSA-N 0 0 354.431 2.997 10 0 FFAERN CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCCCN1S(N)(=O)=O ZINC000616616561 520079438 /nfs/dbraw/zinc/07/94/38/520079438.db2.gz YRZZPJSABYHYRB-HNNXBMFYSA-N 0 0 369.487 2.788 10 0 FFAERN C[C@@H](NC(=O)c1cccc(F)c1I)[C@H]1CCCO1 ZINC000610999692 520940050 /nfs/dbraw/zinc/94/00/50/520940050.db2.gz JMDZKYVHZNVSOP-LDYMZIIASA-N 0 0 363.170 2.728 10 0 FFAERN COc1ccc([C@@H]2OCC[C@H]2NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)cn1 ZINC000623162095 521810789 /nfs/dbraw/zinc/81/07/89/521810789.db2.gz YTGITEUJWWWTIO-POAQFYNOSA-N 0 0 368.433 2.657 10 0 FFAERN O=C(NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1ccncc1C(F)(F)F ZINC000629267777 522054988 /nfs/dbraw/zinc/05/49/88/522054988.db2.gz DOZIPQPSPPYXPF-IINYFYTJSA-N 0 0 354.332 2.721 10 0 FFAERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCCc2ccc(OC)cc21 ZINC000622970323 523589115 /nfs/dbraw/zinc/58/91/15/523589115.db2.gz CWHXACHLUQXRPC-VQIMIIECSA-N 0 0 355.438 2.969 10 0 FFAERN O=C(CN1CCC(Cn2cc3[nH]cccc-3c2=O)CC1)c1ccc(F)cc1 ZINC000089223331 526728579 /nfs/dbraw/zinc/72/85/79/526728579.db2.gz OZVRWRJAEBGFHA-UHFFFAOYSA-N 0 0 367.424 2.771 10 0 FFAERN O=C(Cn1ncn2c(cc3cc(F)ccc32)c1=O)NCCC1=CCCCC1 ZINC000020862906 527426993 /nfs/dbraw/zinc/42/69/93/527426993.db2.gz BAFFNGRPBZAQON-UHFFFAOYSA-N 0 0 368.412 2.795 10 0 FFAERN CC(C)n1nccc1NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000043451469 535150560 /nfs/dbraw/zinc/15/05/60/535150560.db2.gz MRZWPXJKFSRBJW-AWEZNQCLSA-N 0 0 353.430 2.918 10 0 FFAERN CCCn1nc(C)c(CNC(=O)Nc2ccc3c(c2)OCC(=O)N3C)c1C ZINC000095506046 535624187 /nfs/dbraw/zinc/62/41/87/535624187.db2.gz WFRUPPRGCKNJSP-UHFFFAOYSA-N 0 0 371.441 2.587 10 0 FFAERN CCOC[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000070921034 535709253 /nfs/dbraw/zinc/70/92/53/535709253.db2.gz RJWDSBHNWWGCDR-HNNXBMFYSA-N 0 0 364.511 2.875 10 0 FFAERN CCc1nc2cc(N3CCC(C(=O)N4CCCC4)CC3)cnc2nc1CC ZINC000065227525 536156914 /nfs/dbraw/zinc/15/69/14/536156914.db2.gz VVGWEALJPWCIRV-UHFFFAOYSA-N 0 0 367.497 2.988 10 0 FFAERN COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2CCn3cccc3[C@@H]2C)cc1 ZINC000030799353 536592188 /nfs/dbraw/zinc/59/21/88/536592188.db2.gz CJHMRXLHXMIQDH-IRZHHCKBSA-N 0 0 367.449 2.618 10 0 FFAERN Cc1cc(C(=O)[O-])cc2c1[C@H](NC(=O)OC(C)(C)C)C[C@@]1(CC[NH2+]C1)O2 ZINC000725260875 570525310 /nfs/dbraw/zinc/52/53/10/570525310.db2.gz YUQTXSOUHBUDMI-BFUOFWGJSA-N 0 0 362.426 2.774 10 0 FFAERN CCOC(=O)c1noc(-c2sccc2I)n1 ZINC000309240889 570690941 /nfs/dbraw/zinc/69/09/41/570690941.db2.gz MNCTZSVTFZFFMU-UHFFFAOYSA-N 0 0 350.137 2.579 10 0 FFAERN COc1ccc(C(=O)NCCn2c3ncccc3nc2C(F)(F)F)cc1 ZINC000046915650 570877638 /nfs/dbraw/zinc/87/76/38/570877638.db2.gz LIQGLOBJKYBHPJ-UHFFFAOYSA-N 0 0 364.327 2.889 10 0 FFAERN